data_15761 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15761 _Entry.Title ; Chemical shift assignments for JHP0511 (HP0564) from Helicobacter pylori. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-05-06 _Entry.Accession_date 2008-05-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Brendan Borin . N. . 15761 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15761 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 242 15761 '15N chemical shifts' 56 15761 '1H chemical shifts' 362 15761 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 . . 2009-02-23 2008-05-06 update BMRB 'complete entry citation' 15761 1 . . 2008-07-28 2008-05-06 original author 'original release' 15761 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2k1o . 15761 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15761 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18623065 _Citation.Full_citation . _Citation.Title 'Structure of HP0564 from Helicobacter pylori identifies it as a new transcriptional regulator' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 73 _Citation.Journal_issue 1 _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 265 _Citation.Page_last 268 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Brendan Borin . N. . 15761 1 2 Andrzej Krezel . M. . 15761 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DNA-binding 15761 1 'gastric cancer' 15761 1 NMR 15761 1 repressor 15761 1 ribbon-helix-helix 15761 1 'structural genomics' 15761 1 ulcer 15761 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15761 _Assembly.ID 1 _Assembly.Name JHP0511 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15600 _Assembly.Enzyme_commission_number . _Assembly.Details 'JHP0511 forms a dimer.' _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 'subunit 1' 1 $JHP0511 A . yes native no no 1 . . 15761 1 2 'subunit 2' 1 $JHP0511 B . yes native no no 1 . . 15761 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2k1o . . 'solution NMR' . . . 15761 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID DNA-binding 15761 1 'transcriptional regulation' 15761 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_JHP0511 _Entity.Sf_category entity _Entity.Sf_framecode JHP0511 _Entity.Entry_ID 15761 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name JHP0511 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGSKRNFSVTF YLSKEEHDVLRRLADEEVES VNSFVKRHILKTIIYKKGTN QDSSIN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-12 represent a non-native purification tag. The rest of the sequence represents residues 21-74 of JHP0511.' _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K1O . "Nmr Structure Of Helicobacter Pylori Jhp0511 (Hp0564)" . . . . . 100.00 66 100.00 100.00 2.13e-38 . . . . 15761 1 2 no DBJ BAM96488 . "hypothetical protein HPOK113_0580 [Helicobacter pylori OK113]" . . . . . 81.82 81 98.15 100.00 2.06e-28 . . . . 15761 1 3 no DBJ BAM98200 . "hypothetical protein HPOK310_0772 [Helicobacter pylori OK310]" . . . . . 81.82 81 98.15 100.00 2.06e-28 . . . . 15761 1 4 no DBJ BAO98238 . "hypothetical protein NY40_1231 [Helicobacter pylori NY40]" . . . . . 81.82 81 100.00 100.00 6.47e-29 . . . . 15761 1 5 no EMBL CAX29340 . "Conserved hypothetical protein [Helicobacter pylori B38]" . . . . . 81.82 81 98.15 98.15 3.08e-28 . . . . 15761 1 6 no GB AAD06087 . "putative [Helicobacter pylori J99]" . . . . . 81.82 81 100.00 100.00 6.47e-29 . . . . 15761 1 7 no GB ACI27284 . "hypothetical protein HPG27_523 [Helicobacter pylori G27]" . . . . . 81.82 81 98.15 98.15 1.81e-28 . . . . 15761 1 8 no GB ACJ07724 . "hypothetical protein HPP12_0570 [Helicobacter pylori P12]" . . . . . 81.82 81 98.15 100.00 1.91e-28 . . . . 15761 1 9 no GB ACX97959 . "hypothetical protein KHP_0754 [Helicobacter pylori 51]" . . . . . 81.82 81 98.15 100.00 2.06e-28 . . . . 15761 1 10 no GB ACX99372 . "hypothetical protein HPKB_0780 [Helicobacter pylori 52]" . . . . . 81.82 81 98.15 100.00 2.30e-28 . . . . 15761 1 11 no REF NP_207359 . "hypothetical protein HP0564 [Helicobacter pylori 26695]" . . . . . 81.82 81 98.15 100.00 1.91e-28 . . . . 15761 1 12 no REF WP_000418252 . "hypothetical protein [Helicobacter pylori]" . . . . . 81.82 81 98.15 100.00 2.06e-28 . . . . 15761 1 13 no REF WP_000418864 . "hypothetical protein [Helicobacter pylori]" . . . . . 81.82 81 98.15 100.00 1.91e-28 . . . . 15761 1 14 no REF WP_000418865 . "hypothetical protein [Helicobacter pylori]" . . . . . 81.82 81 98.15 100.00 2.30e-28 . . . . 15761 1 15 no REF WP_000418866 . "hypothetical protein [Helicobacter pylori]" . . . . . 81.82 81 98.15 98.15 5.95e-28 . . . . 15761 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 9 MET . 15761 1 2 10 ARG . 15761 1 3 11 GLY . 15761 1 4 12 SER . 15761 1 5 13 HIS . 15761 1 6 14 HIS . 15761 1 7 15 HIS . 15761 1 8 16 HIS . 15761 1 9 17 HIS . 15761 1 10 18 HIS . 15761 1 11 19 GLY . 15761 1 12 20 SER . 15761 1 13 21 LYS . 15761 1 14 22 ARG . 15761 1 15 23 ASN . 15761 1 16 24 PHE . 15761 1 17 25 SER . 15761 1 18 26 VAL . 15761 1 19 27 THR . 15761 1 20 28 PHE . 15761 1 21 29 TYR . 15761 1 22 30 LEU . 15761 1 23 31 SER . 15761 1 24 32 LYS . 15761 1 25 33 GLU . 15761 1 26 34 GLU . 15761 1 27 35 HIS . 15761 1 28 36 ASP . 15761 1 29 37 VAL . 15761 1 30 38 LEU . 15761 1 31 39 ARG . 15761 1 32 40 ARG . 15761 1 33 41 LEU . 15761 1 34 42 ALA . 15761 1 35 43 ASP . 15761 1 36 44 GLU . 15761 1 37 45 GLU . 15761 1 38 46 VAL . 15761 1 39 47 GLU . 15761 1 40 48 SER . 15761 1 41 49 VAL . 15761 1 42 50 ASN . 15761 1 43 51 SER . 15761 1 44 52 PHE . 15761 1 45 53 VAL . 15761 1 46 54 LYS . 15761 1 47 55 ARG . 15761 1 48 56 HIS . 15761 1 49 57 ILE . 15761 1 50 58 LEU . 15761 1 51 59 LYS . 15761 1 52 60 THR . 15761 1 53 61 ILE . 15761 1 54 62 ILE . 15761 1 55 63 TYR . 15761 1 56 64 LYS . 15761 1 57 65 LYS . 15761 1 58 66 GLY . 15761 1 59 67 THR . 15761 1 60 68 ASN . 15761 1 61 69 GLN . 15761 1 62 70 ASP . 15761 1 63 71 SER . 15761 1 64 72 SER . 15761 1 65 73 ILE . 15761 1 66 74 ASN . 15761 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15761 1 . ARG 2 2 15761 1 . GLY 3 3 15761 1 . SER 4 4 15761 1 . HIS 5 5 15761 1 . HIS 6 6 15761 1 . HIS 7 7 15761 1 . HIS 8 8 15761 1 . HIS 9 9 15761 1 . HIS 10 10 15761 1 . GLY 11 11 15761 1 . SER 12 12 15761 1 . LYS 13 13 15761 1 . ARG 14 14 15761 1 . ASN 15 15 15761 1 . PHE 16 16 15761 1 . SER 17 17 15761 1 . VAL 18 18 15761 1 . THR 19 19 15761 1 . PHE 20 20 15761 1 . TYR 21 21 15761 1 . LEU 22 22 15761 1 . SER 23 23 15761 1 . LYS 24 24 15761 1 . GLU 25 25 15761 1 . GLU 26 26 15761 1 . HIS 27 27 15761 1 . ASP 28 28 15761 1 . VAL 29 29 15761 1 . LEU 30 30 15761 1 . ARG 31 31 15761 1 . ARG 32 32 15761 1 . LEU 33 33 15761 1 . ALA 34 34 15761 1 . ASP 35 35 15761 1 . GLU 36 36 15761 1 . GLU 37 37 15761 1 . VAL 38 38 15761 1 . GLU 39 39 15761 1 . SER 40 40 15761 1 . VAL 41 41 15761 1 . ASN 42 42 15761 1 . SER 43 43 15761 1 . PHE 44 44 15761 1 . VAL 45 45 15761 1 . LYS 46 46 15761 1 . ARG 47 47 15761 1 . HIS 48 48 15761 1 . ILE 49 49 15761 1 . LEU 50 50 15761 1 . LYS 51 51 15761 1 . THR 52 52 15761 1 . ILE 53 53 15761 1 . ILE 54 54 15761 1 . TYR 55 55 15761 1 . LYS 56 56 15761 1 . LYS 57 57 15761 1 . GLY 58 58 15761 1 . THR 59 59 15761 1 . ASN 60 60 15761 1 . GLN 61 61 15761 1 . ASP 62 62 15761 1 . SER 63 63 15761 1 . SER 64 64 15761 1 . ILE 65 65 15761 1 . ASN 66 66 15761 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 15761 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $JHP0511 . 210 organism . 'Helicobacter pylori' 'Helicobacter pylori' . . Bacteria . Helicobacter pylori J99 . . . . . . . . . . . . . . . JHP0511 . . . . 15761 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 15761 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $JHP0511 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET-BNK . . . . . . 15761 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15761 _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 JHP0511 'natural abundance' . . 1 $JHP0511 . . 1 . . mM . . . . 15761 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15761 1 3 D2O . . . . . . . 10 . . % . . . . 15761 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15761 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15761 _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 JHP0511 '[U-100% 15N]' . . 1 $JHP0511 . . 1 . . mM . . . . 15761 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15761 2 3 D2O . . . . . . . 10 . . % . . . . 15761 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15761 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15761 _Sample.ID 3 _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 JHP0511 '[U-100% 13C; U-100% 15N]' . . 1 $JHP0511 . . 1 . . mM . . . . 15761 3 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15761 3 3 D2O . . . . . . . 10 . . % . . . . 15761 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15761 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15761 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 15761 1 pH 4 . pH 15761 1 pressure 1 . atm 15761 1 temperature 298 . K 15761 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15761 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15761 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15761 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15761 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15761 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15761 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15761 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15761 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15761 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15761 _Software.ID 4 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 15761 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15761 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15761 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15761 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure checking' 15761 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 15761 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15761 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15761 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 15761 1 2 spectrometer_2 Bruker Avance . 800 . . . 15761 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 15761 _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 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15761 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15761 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15761 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15761 1 5 '3D C(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15761 1 6 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15761 1 7 '3D H(CCO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15761 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15761 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 15761 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15761 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15761 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15761 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 15761 _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' . . . 15761 1 2 '2D 1H-13C HSQC' . . . 15761 1 4 '3D CBCA(CO)NH' . . . 15761 1 5 '3D C(CO)NH' . . . 15761 1 6 '3D HNCO' . . . 15761 1 7 '3D H(CCO)NH' . . . 15761 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 13 13 LYS H H 1 8.57 . . 1 . . . . 21 LYS H . 15761 1 2 . 1 1 13 13 LYS HA H 1 4.36 . . 1 . . . . 21 LYS HA . 15761 1 3 . 1 1 13 13 LYS C C 13 176.47 . . 1 . . . . 21 LYS C . 15761 1 4 . 1 1 13 13 LYS CA C 13 56.55 . . 1 . . . . 21 LYS CA . 15761 1 5 . 1 1 13 13 LYS CB C 13 33.13 . . 1 . . . . 21 LYS CB . 15761 1 6 . 1 1 13 13 LYS CD C 13 29.05 . . 1 . . . . 21 LYS CD . 15761 1 7 . 1 1 13 13 LYS CE C 13 41.47 . . 1 . . . . 21 LYS CE . 15761 1 8 . 1 1 13 13 LYS CG C 13 24.89 . . 1 . . . . 21 LYS CG . 15761 1 9 . 1 1 13 13 LYS N N 15 124.27 . . 1 . . . . 21 LYS N . 15761 1 10 . 1 1 14 14 ARG H H 1 8.4 . . 1 . . . . 22 ARG H . 15761 1 11 . 1 1 14 14 ARG HA H 1 4.33 . . 1 . . . . 22 ARG HA . 15761 1 12 . 1 1 14 14 ARG HB2 H 1 1.7 . . 2 . . . . 22 ARG HB2 . 15761 1 13 . 1 1 14 14 ARG HB3 H 1 1.7 . . 2 . . . . 22 ARG HB3 . 15761 1 14 . 1 1 14 14 ARG HD2 H 1 3.15 . . 2 . . . . 22 ARG HD2 . 15761 1 15 . 1 1 14 14 ARG HD3 H 1 3.15 . . 2 . . . . 22 ARG HD3 . 15761 1 16 . 1 1 14 14 ARG HG2 H 1 1.58 . . 2 . . . . 22 ARG HG2 . 15761 1 17 . 1 1 14 14 ARG HG3 H 1 1.47 . . 2 . . . . 22 ARG HG3 . 15761 1 18 . 1 1 14 14 ARG C C 13 174.97 . . 1 . . . . 22 ARG C . 15761 1 19 . 1 1 14 14 ARG CA C 13 55.72 . . 1 . . . . 22 ARG CA . 15761 1 20 . 1 1 14 14 ARG CB C 13 30.67 . . 1 . . . . 22 ARG CB . 15761 1 21 . 1 1 14 14 ARG CD C 13 43.48 . . 1 . . . . 22 ARG CD . 15761 1 22 . 1 1 14 14 ARG CG C 13 27.2 . . 1 . . . . 22 ARG CG . 15761 1 23 . 1 1 14 14 ARG N N 15 123.17 . . 1 . . . . 22 ARG N . 15761 1 24 . 1 1 15 15 ASN H H 1 8.13 . . 1 . . . . 23 ASN H . 15761 1 25 . 1 1 15 15 ASN HA H 1 5 . . 1 . . . . 23 ASN HA . 15761 1 26 . 1 1 15 15 ASN HB2 H 1 2.63 . . 2 . . . . 23 ASN HB2 . 15761 1 27 . 1 1 15 15 ASN HB3 H 1 2.56 . . 2 . . . . 23 ASN HB3 . 15761 1 28 . 1 1 15 15 ASN HD21 H 1 7.31 . . 2 . . . . 23 ASN HD21 . 15761 1 29 . 1 1 15 15 ASN HD22 H 1 6.68 . . 2 . . . . 23 ASN HD22 . 15761 1 30 . 1 1 15 15 ASN C C 13 174.47 . . 1 . . . . 23 ASN C . 15761 1 31 . 1 1 15 15 ASN CA C 13 52.53 . . 1 . . . . 23 ASN CA . 15761 1 32 . 1 1 15 15 ASN CB C 13 40.22 . . 1 . . . . 23 ASN CB . 15761 1 33 . 1 1 15 15 ASN N N 15 119.97 . . 1 . . . . 23 ASN N . 15761 1 34 . 1 1 15 15 ASN ND2 N 15 112.9 . . 1 . . . . 23 ASN ND2 . 15761 1 35 . 1 1 16 16 PHE H H 1 9.13 . . 1 . . . . 24 PHE H . 15761 1 36 . 1 1 16 16 PHE HA H 1 4.45 . . 1 . . . . 24 PHE HA . 15761 1 37 . 1 1 16 16 PHE HB2 H 1 2.73 . . 2 . . . . 24 PHE HB2 . 15761 1 38 . 1 1 16 16 PHE HB3 H 1 2.47 . . 2 . . . . 24 PHE HB3 . 15761 1 39 . 1 1 16 16 PHE HD1 H 1 6.86 . . 3 . . . . 24 PHE HD1 . 15761 1 40 . 1 1 16 16 PHE HD2 H 1 6.86 . . 3 . . . . 24 PHE HD2 . 15761 1 41 . 1 1 16 16 PHE HE1 H 1 7.23 . . 3 . . . . 24 PHE HE1 . 15761 1 42 . 1 1 16 16 PHE HE2 H 1 7.23 . . 3 . . . . 24 PHE HE2 . 15761 1 43 . 1 1 16 16 PHE HZ H 1 7.23 . . 1 . . . . 24 PHE HZ . 15761 1 44 . 1 1 16 16 PHE C C 13 174.77 . . 1 . . . . 24 PHE C . 15761 1 45 . 1 1 16 16 PHE CA C 13 57.7 . . 1 . . . . 24 PHE CA . 15761 1 46 . 1 1 16 16 PHE CB C 13 40.41 . . 1 . . . . 24 PHE CB . 15761 1 47 . 1 1 16 16 PHE CD1 C 13 131.2 . . 3 . . . . 24 PHE CD1 . 15761 1 48 . 1 1 16 16 PHE CD2 C 13 131.2 . . 3 . . . . 24 PHE CD2 . 15761 1 49 . 1 1 16 16 PHE CE1 C 13 129.4 . . 3 . . . . 24 PHE CE1 . 15761 1 50 . 1 1 16 16 PHE CE2 C 13 129.4 . . 3 . . . . 24 PHE CE2 . 15761 1 51 . 1 1 16 16 PHE CZ C 13 131.2 . . 1 . . . . 24 PHE CZ . 15761 1 52 . 1 1 16 16 PHE N N 15 121.57 . . 1 . . . . 24 PHE N . 15761 1 53 . 1 1 17 17 SER H H 1 8.45 . . 1 . . . . 25 SER H . 15761 1 54 . 1 1 17 17 SER HA H 1 4.61 . . 1 . . . . 25 SER HA . 15761 1 55 . 1 1 17 17 SER HB2 H 1 3.48 . . 2 . . . . 25 SER HB2 . 15761 1 56 . 1 1 17 17 SER HB3 H 1 3.34 . . 2 . . . . 25 SER HB3 . 15761 1 57 . 1 1 17 17 SER C C 13 173.87 . . 1 . . . . 25 SER C . 15761 1 58 . 1 1 17 17 SER CA C 13 57.16 . . 1 . . . . 25 SER CA . 15761 1 59 . 1 1 17 17 SER CB C 13 65.33 . . 1 . . . . 25 SER CB . 15761 1 60 . 1 1 17 17 SER N N 15 117.37 . . 1 . . . . 25 SER N . 15761 1 61 . 1 1 18 18 VAL H H 1 8.43 . . 1 . . . . 26 VAL H . 15761 1 62 . 1 1 18 18 VAL HA H 1 4.2 . . 1 . . . . 26 VAL HA . 15761 1 63 . 1 1 18 18 VAL HB H 1 0.43 . . 1 . . . . 26 VAL HB . 15761 1 64 . 1 1 18 18 VAL HG11 H 1 0.87 . . 2 . . . . 26 VAL HG1 . 15761 1 65 . 1 1 18 18 VAL HG12 H 1 0.87 . . 2 . . . . 26 VAL HG1 . 15761 1 66 . 1 1 18 18 VAL HG13 H 1 0.87 . . 2 . . . . 26 VAL HG1 . 15761 1 67 . 1 1 18 18 VAL HG21 H 1 0.68 . . 2 . . . . 26 VAL HG2 . 15761 1 68 . 1 1 18 18 VAL HG22 H 1 0.68 . . 2 . . . . 26 VAL HG2 . 15761 1 69 . 1 1 18 18 VAL HG23 H 1 0.68 . . 2 . . . . 26 VAL HG2 . 15761 1 70 . 1 1 18 18 VAL C C 13 174.17 . . 1 . . . . 26 VAL C . 15761 1 71 . 1 1 18 18 VAL CA C 13 61.44 . . 1 . . . . 26 VAL CA . 15761 1 72 . 1 1 18 18 VAL CB C 13 33.34 . . 1 . . . . 26 VAL CB . 15761 1 73 . 1 1 18 18 VAL CG1 C 13 21.4 . . 2 . . . . 26 VAL CG1 . 15761 1 74 . 1 1 18 18 VAL CG2 C 13 21 . . 2 . . . . 26 VAL CG2 . 15761 1 75 . 1 1 18 18 VAL N N 15 125.47 . . 1 . . . . 26 VAL N . 15761 1 76 . 1 1 19 19 THR H H 1 7.57 . . 1 . . . . 27 THR H . 15761 1 77 . 1 1 19 19 THR HA H 1 5.61 . . 1 . . . . 27 THR HA . 15761 1 78 . 1 1 19 19 THR HB H 1 3.65 . . 1 . . . . 27 THR HB . 15761 1 79 . 1 1 19 19 THR HG21 H 1 0.85 . . 1 . . . . 27 THR HG2 . 15761 1 80 . 1 1 19 19 THR HG22 H 1 0.85 . . 1 . . . . 27 THR HG2 . 15761 1 81 . 1 1 19 19 THR HG23 H 1 0.85 . . 1 . . . . 27 THR HG2 . 15761 1 82 . 1 1 19 19 THR C C 13 172.97 . . 1 . . . . 27 THR C . 15761 1 83 . 1 1 19 19 THR CA C 13 60.44 . . 1 . . . . 27 THR CA . 15761 1 84 . 1 1 19 19 THR CB C 13 72.31 . . 1 . . . . 27 THR CB . 15761 1 85 . 1 1 19 19 THR N N 15 120.87 . . 1 . . . . 27 THR N . 15761 1 86 . 1 1 20 20 PHE H H 1 8.38 . . 1 . . . . 28 PHE H . 15761 1 87 . 1 1 20 20 PHE HA H 1 4.83 . . 1 . . . . 28 PHE HA . 15761 1 88 . 1 1 20 20 PHE HB2 H 1 3.21 . . 2 . . . . 28 PHE HB2 . 15761 1 89 . 1 1 20 20 PHE HB3 H 1 3.21 . . 2 . . . . 28 PHE HB3 . 15761 1 90 . 1 1 20 20 PHE HD1 H 1 6.98 . . 3 . . . . 28 PHE HD1 . 15761 1 91 . 1 1 20 20 PHE HD2 H 1 6.98 . . 3 . . . . 28 PHE HD2 . 15761 1 92 . 1 1 20 20 PHE HE1 H 1 7.12 . . 3 . . . . 28 PHE HE1 . 15761 1 93 . 1 1 20 20 PHE HE2 H 1 7.12 . . 3 . . . . 28 PHE HE2 . 15761 1 94 . 1 1 20 20 PHE HZ H 1 7.08 . . 1 . . . . 28 PHE HZ . 15761 1 95 . 1 1 20 20 PHE C C 13 171.57 . . 1 . . . . 28 PHE C . 15761 1 96 . 1 1 20 20 PHE CA C 13 55.75 . . 1 . . . . 28 PHE CA . 15761 1 97 . 1 1 20 20 PHE CB C 13 41.11 . . 1 . . . . 28 PHE CB . 15761 1 98 . 1 1 20 20 PHE CD1 C 13 129.9 . . 3 . . . . 28 PHE CD1 . 15761 1 99 . 1 1 20 20 PHE CD2 C 13 129.9 . . 3 . . . . 28 PHE CD2 . 15761 1 100 . 1 1 20 20 PHE CE1 C 13 132.6 . . 3 . . . . 28 PHE CE1 . 15761 1 101 . 1 1 20 20 PHE CE2 C 13 132.6 . . 3 . . . . 28 PHE CE2 . 15761 1 102 . 1 1 20 20 PHE CZ C 13 132.2 . . 1 . . . . 28 PHE CZ . 15761 1 103 . 1 1 20 20 PHE N N 15 120.97 . . 1 . . . . 28 PHE N . 15761 1 104 . 1 1 21 21 TYR H H 1 8.91 . . 1 . . . . 29 TYR H . 15761 1 105 . 1 1 21 21 TYR HA H 1 5.34 . . 1 . . . . 29 TYR HA . 15761 1 106 . 1 1 21 21 TYR HB2 H 1 2.92 . . 2 . . . . 29 TYR HB2 . 15761 1 107 . 1 1 21 21 TYR HB3 H 1 2.87 . . 2 . . . . 29 TYR HB3 . 15761 1 108 . 1 1 21 21 TYR HD1 H 1 7 . . 3 . . . . 29 TYR HD1 . 15761 1 109 . 1 1 21 21 TYR HD2 H 1 7 . . 3 . . . . 29 TYR HD2 . 15761 1 110 . 1 1 21 21 TYR HE1 H 1 6.74 . . 3 . . . . 29 TYR HE1 . 15761 1 111 . 1 1 21 21 TYR HE2 H 1 6.74 . . 3 . . . . 29 TYR HE2 . 15761 1 112 . 1 1 21 21 TYR C C 13 175.47 . . 1 . . . . 29 TYR C . 15761 1 113 . 1 1 21 21 TYR CA C 13 57.16 . . 1 . . . . 29 TYR CA . 15761 1 114 . 1 1 21 21 TYR CB C 13 41.48 . . 1 . . . . 29 TYR CB . 15761 1 115 . 1 1 21 21 TYR CD1 C 13 133.11 . . 3 . . . . 29 TYR CD1 . 15761 1 116 . 1 1 21 21 TYR CD2 C 13 133.11 . . 3 . . . . 29 TYR CD2 . 15761 1 117 . 1 1 21 21 TYR CE1 C 13 118.05 . . 3 . . . . 29 TYR CE1 . 15761 1 118 . 1 1 21 21 TYR CE2 C 13 118.05 . . 3 . . . . 29 TYR CE2 . 15761 1 119 . 1 1 21 21 TYR N N 15 118.47 . . 1 . . . . 29 TYR N . 15761 1 120 . 1 1 22 22 LEU H H 1 8.94 . . 1 . . . . 30 LEU H . 15761 1 121 . 1 1 22 22 LEU HA H 1 5.16 . . 1 . . . . 30 LEU HA . 15761 1 122 . 1 1 22 22 LEU HB2 H 1 1.85 . . 2 . . . . 30 LEU HB2 . 15761 1 123 . 1 1 22 22 LEU HB3 H 1 1.76 . . 2 . . . . 30 LEU HB3 . 15761 1 124 . 1 1 22 22 LEU HD11 H 1 0.95 . . 2 . . . . 30 LEU HD1 . 15761 1 125 . 1 1 22 22 LEU HD12 H 1 0.95 . . 2 . . . . 30 LEU HD1 . 15761 1 126 . 1 1 22 22 LEU HD13 H 1 0.95 . . 2 . . . . 30 LEU HD1 . 15761 1 127 . 1 1 22 22 LEU HD21 H 1 1.22 . . 2 . . . . 30 LEU HD2 . 15761 1 128 . 1 1 22 22 LEU HD22 H 1 1.22 . . 2 . . . . 30 LEU HD2 . 15761 1 129 . 1 1 22 22 LEU HD23 H 1 1.22 . . 2 . . . . 30 LEU HD2 . 15761 1 130 . 1 1 22 22 LEU HG H 1 0.93 . . 1 . . . . 30 LEU HG . 15761 1 131 . 1 1 22 22 LEU C C 13 176.57 . . 1 . . . . 30 LEU C . 15761 1 132 . 1 1 22 22 LEU CA C 13 52.99 . . 1 . . . . 30 LEU CA . 15761 1 133 . 1 1 22 22 LEU CB C 13 47.46 . . 1 . . . . 30 LEU CB . 15761 1 134 . 1 1 22 22 LEU CD1 C 13 26.69 . . 2 . . . . 30 LEU CD1 . 15761 1 135 . 1 1 22 22 LEU CD2 C 13 23.11 . . 2 . . . . 30 LEU CD2 . 15761 1 136 . 1 1 22 22 LEU CG C 13 28.58 . . 1 . . . . 30 LEU CG . 15761 1 137 . 1 1 22 22 LEU N N 15 120.77 . . 1 . . . . 30 LEU N . 15761 1 138 . 1 1 23 23 SER H H 1 9.03 . . 1 . . . . 31 SER H . 15761 1 139 . 1 1 23 23 SER HA H 1 5.04 . . 1 . . . . 31 SER HA . 15761 1 140 . 1 1 23 23 SER HB2 H 1 4.5 . . 2 . . . . 31 SER HB2 . 15761 1 141 . 1 1 23 23 SER HB3 H 1 4.04 . . 2 . . . . 31 SER HB3 . 15761 1 142 . 1 1 23 23 SER C C 13 175.07 . . 1 . . . . 31 SER C . 15761 1 143 . 1 1 23 23 SER CA C 13 57.46 . . 1 . . . . 31 SER CA . 15761 1 144 . 1 1 23 23 SER CB C 13 65.93 . . 1 . . . . 31 SER CB . 15761 1 145 . 1 1 23 23 SER N N 15 117.17 . . 1 . . . . 31 SER N . 15761 1 146 . 1 1 24 24 LYS H H 1 9.09 . . 1 . . . . 32 LYS H . 15761 1 147 . 1 1 24 24 LYS HA H 1 3.3 . . 1 . . . . 32 LYS HA . 15761 1 148 . 1 1 24 24 LYS HB2 H 1 2 . . 2 . . . . 32 LYS HB2 . 15761 1 149 . 1 1 24 24 LYS HB3 H 1 2 . . 2 . . . . 32 LYS HB3 . 15761 1 150 . 1 1 24 24 LYS HD2 H 1 1.76 . . 2 . . . . 32 LYS HD2 . 15761 1 151 . 1 1 24 24 LYS HD3 H 1 1.76 . . 2 . . . . 32 LYS HD3 . 15761 1 152 . 1 1 24 24 LYS HG2 H 1 1.33 . . 2 . . . . 32 LYS HG2 . 15761 1 153 . 1 1 24 24 LYS HG3 H 1 1.26 . . 2 . . . . 32 LYS HG3 . 15761 1 154 . 1 1 24 24 LYS C C 13 177.77 . . 1 . . . . 32 LYS C . 15761 1 155 . 1 1 24 24 LYS CA C 13 60.38 . . 1 . . . . 32 LYS CA . 15761 1 156 . 1 1 24 24 LYS CB C 13 32.8 . . 1 . . . . 32 LYS CB . 15761 1 157 . 1 1 24 24 LYS CD C 13 29.01 . . 1 . . . . 32 LYS CD . 15761 1 158 . 1 1 24 24 LYS CG C 13 24.59 . . 1 . . . . 32 LYS CG . 15761 1 159 . 1 1 24 24 LYS N N 15 123.07 . . 1 . . . . 32 LYS N . 15761 1 160 . 1 1 25 25 GLU H H 1 8.91 . . 1 . . . . 33 GLU H . 15761 1 161 . 1 1 25 25 GLU HA H 1 4.03 . . 1 . . . . 33 GLU HA . 15761 1 162 . 1 1 25 25 GLU HB2 H 1 2.11 . . 2 . . . . 33 GLU HB2 . 15761 1 163 . 1 1 25 25 GLU HB3 H 1 1.99 . . 2 . . . . 33 GLU HB3 . 15761 1 164 . 1 1 25 25 GLU HG2 H 1 2.57 . . 2 . . . . 33 GLU HG2 . 15761 1 165 . 1 1 25 25 GLU HG3 H 1 2.33 . . 2 . . . . 33 GLU HG3 . 15761 1 166 . 1 1 25 25 GLU C C 13 180.07 . . 1 . . . . 33 GLU C . 15761 1 167 . 1 1 25 25 GLU CA C 13 60.7 . . 1 . . . . 33 GLU CA . 15761 1 168 . 1 1 25 25 GLU CB C 13 28.79 . . 1 . . . . 33 GLU CB . 15761 1 169 . 1 1 25 25 GLU CG C 13 37.54 . . 1 . . . . 33 GLU CG . 15761 1 170 . 1 1 25 25 GLU N N 15 117.37 . . 1 . . . . 33 GLU N . 15761 1 171 . 1 1 26 26 GLU H H 1 7.6 . . 1 . . . . 34 GLU H . 15761 1 172 . 1 1 26 26 GLU HA H 1 3.81 . . 1 . . . . 34 GLU HA . 15761 1 173 . 1 1 26 26 GLU HB2 H 1 2.27 . . 2 . . . . 34 GLU HB2 . 15761 1 174 . 1 1 26 26 GLU HB3 H 1 1.85 . . 2 . . . . 34 GLU HB3 . 15761 1 175 . 1 1 26 26 GLU HG2 H 1 2.61 . . 2 . . . . 34 GLU HG2 . 15761 1 176 . 1 1 26 26 GLU HG3 H 1 2.49 . . 2 . . . . 34 GLU HG3 . 15761 1 177 . 1 1 26 26 GLU C C 13 177.77 . . 1 . . . . 34 GLU C . 15761 1 178 . 1 1 26 26 GLU CA C 13 58.69 . . 1 . . . . 34 GLU CA . 15761 1 179 . 1 1 26 26 GLU CB C 13 31.04 . . 1 . . . . 34 GLU CB . 15761 1 180 . 1 1 26 26 GLU CG C 13 36.49 . . 1 . . . . 34 GLU CG . 15761 1 181 . 1 1 26 26 GLU N N 15 119.57 . . 1 . . . . 34 GLU N . 15761 1 182 . 1 1 27 27 HIS H H 1 8.93 . . 1 . . . . 35 HIS H . 15761 1 183 . 1 1 27 27 HIS HA H 1 3.72 . . 1 . . . . 35 HIS HA . 15761 1 184 . 1 1 27 27 HIS HB2 H 1 2.85 . . 2 . . . . 35 HIS HB2 . 15761 1 185 . 1 1 27 27 HIS HB3 H 1 2.85 . . 2 . . . . 35 HIS HB3 . 15761 1 186 . 1 1 27 27 HIS HD2 H 1 6.57 . . 1 . . . . 35 HIS HD2 . 15761 1 187 . 1 1 27 27 HIS HE1 H 1 8.05 . . 1 . . . . 35 HIS HE1 . 15761 1 188 . 1 1 27 27 HIS C C 13 176.97 . . 1 . . . . 35 HIS C . 15761 1 189 . 1 1 27 27 HIS CA C 13 61.84 . . 1 . . . . 35 HIS CA . 15761 1 190 . 1 1 27 27 HIS CB C 13 29.75 . . 1 . . . . 35 HIS CB . 15761 1 191 . 1 1 27 27 HIS N N 15 120.17 . . 1 . . . . 35 HIS N . 15761 1 192 . 1 1 28 28 ASP H H 1 8.92 . . 1 . . . . 36 ASP H . 15761 1 193 . 1 1 28 28 ASP HA H 1 4.27 . . 1 . . . . 36 ASP HA . 15761 1 194 . 1 1 28 28 ASP HB2 H 1 2.84 . . 2 . . . . 36 ASP HB2 . 15761 1 195 . 1 1 28 28 ASP HB3 H 1 2.55 . . 2 . . . . 36 ASP HB3 . 15761 1 196 . 1 1 28 28 ASP C C 13 178.97 . . 1 . . . . 36 ASP C . 15761 1 197 . 1 1 28 28 ASP CA C 13 57.54 . . 1 . . . . 36 ASP CA . 15761 1 198 . 1 1 28 28 ASP CB C 13 40.36 . . 1 . . . . 36 ASP CB . 15761 1 199 . 1 1 28 28 ASP N N 15 119.17 . . 1 . . . . 36 ASP N . 15761 1 200 . 1 1 29 29 VAL H H 1 7.18 . . 1 . . . . 37 VAL H . 15761 1 201 . 1 1 29 29 VAL HA H 1 3.54 . . 1 . . . . 37 VAL HA . 15761 1 202 . 1 1 29 29 VAL HB H 1 2.17 . . 1 . . . . 37 VAL HB . 15761 1 203 . 1 1 29 29 VAL HG11 H 1 1.11 . . 2 . . . . 37 VAL HG1 . 15761 1 204 . 1 1 29 29 VAL HG12 H 1 1.11 . . 2 . . . . 37 VAL HG1 . 15761 1 205 . 1 1 29 29 VAL HG13 H 1 1.11 . . 2 . . . . 37 VAL HG1 . 15761 1 206 . 1 1 29 29 VAL HG21 H 1 0.86 . . 2 . . . . 37 VAL HG2 . 15761 1 207 . 1 1 29 29 VAL HG22 H 1 0.86 . . 2 . . . . 37 VAL HG2 . 15761 1 208 . 1 1 29 29 VAL HG23 H 1 0.86 . . 2 . . . . 37 VAL HG2 . 15761 1 209 . 1 1 29 29 VAL C C 13 178.07 . . 1 . . . . 37 VAL C . 15761 1 210 . 1 1 29 29 VAL CA C 13 66.64 . . 1 . . . . 37 VAL CA . 15761 1 211 . 1 1 29 29 VAL CB C 13 31.61 . . 1 . . . . 37 VAL CB . 15761 1 212 . 1 1 29 29 VAL CG1 C 13 22.31 . . 2 . . . . 37 VAL CG1 . 15761 1 213 . 1 1 29 29 VAL CG2 C 13 21.27 . . 2 . . . . 37 VAL CG2 . 15761 1 214 . 1 1 29 29 VAL N N 15 120.47 . . 1 . . . . 37 VAL N . 15761 1 215 . 1 1 30 30 LEU H H 1 6.94 . . 1 . . . . 38 LEU H . 15761 1 216 . 1 1 30 30 LEU HA H 1 3.66 . . 1 . . . . 38 LEU HA . 15761 1 217 . 1 1 30 30 LEU HB2 H 1 1.69 . . 2 . . . . 38 LEU HB2 . 15761 1 218 . 1 1 30 30 LEU HB3 H 1 1.69 . . 2 . . . . 38 LEU HB3 . 15761 1 219 . 1 1 30 30 LEU HD11 H 1 0.8 . . 2 . . . . 38 LEU HD1 . 15761 1 220 . 1 1 30 30 LEU HD12 H 1 0.8 . . 2 . . . . 38 LEU HD1 . 15761 1 221 . 1 1 30 30 LEU HD13 H 1 0.8 . . 2 . . . . 38 LEU HD1 . 15761 1 222 . 1 1 30 30 LEU HD21 H 1 0.74 . . 2 . . . . 38 LEU HD2 . 15761 1 223 . 1 1 30 30 LEU HD22 H 1 0.74 . . 2 . . . . 38 LEU HD2 . 15761 1 224 . 1 1 30 30 LEU HD23 H 1 0.74 . . 2 . . . . 38 LEU HD2 . 15761 1 225 . 1 1 30 30 LEU HG H 1 1.23 . . 1 . . . . 38 LEU HG . 15761 1 226 . 1 1 30 30 LEU C C 13 177.57 . . 1 . . . . 38 LEU C . 15761 1 227 . 1 1 30 30 LEU CA C 13 57.13 . . 1 . . . . 38 LEU CA . 15761 1 228 . 1 1 30 30 LEU CB C 13 42.03 . . 1 . . . . 38 LEU CB . 15761 1 229 . 1 1 30 30 LEU CD1 C 13 24 . . 2 . . . . 38 LEU CD1 . 15761 1 230 . 1 1 30 30 LEU CD2 C 13 24 . . 2 . . . . 38 LEU CD2 . 15761 1 231 . 1 1 30 30 LEU CG C 13 26.41 . . 1 . . . . 38 LEU CG . 15761 1 232 . 1 1 30 30 LEU N N 15 116.87 . . 1 . . . . 38 LEU N . 15761 1 233 . 1 1 31 31 ARG H H 1 8.68 . . 1 . . . . 39 ARG H . 15761 1 234 . 1 1 31 31 ARG HA H 1 3.56 . . 1 . . . . 39 ARG HA . 15761 1 235 . 1 1 31 31 ARG HB2 H 1 1.79 . . 2 . . . . 39 ARG HB2 . 15761 1 236 . 1 1 31 31 ARG HB3 H 1 1.79 . . 2 . . . . 39 ARG HB3 . 15761 1 237 . 1 1 31 31 ARG HG2 H 1 1.59 . . 2 . . . . 39 ARG HG2 . 15761 1 238 . 1 1 31 31 ARG HG3 H 1 1.46 . . 2 . . . . 39 ARG HG3 . 15761 1 239 . 1 1 31 31 ARG C C 13 177.47 . . 1 . . . . 39 ARG C . 15761 1 240 . 1 1 31 31 ARG CA C 13 59.08 . . 1 . . . . 39 ARG CA . 15761 1 241 . 1 1 31 31 ARG CB C 13 29.82 . . 1 . . . . 39 ARG CB . 15761 1 242 . 1 1 31 31 ARG CD C 13 43.5 . . 1 . . . . 39 ARG CD . 15761 1 243 . 1 1 31 31 ARG CG C 13 26.57 . . 1 . . . . 39 ARG CG . 15761 1 244 . 1 1 31 31 ARG N N 15 119.87 . . 1 . . . . 39 ARG N . 15761 1 245 . 1 1 32 32 ARG H H 1 7.49 . . 1 . . . . 40 ARG H . 15761 1 246 . 1 1 32 32 ARG HA H 1 4.02 . . 1 . . . . 40 ARG HA . 15761 1 247 . 1 1 32 32 ARG HB2 H 1 1.87 . . 2 . . . . 40 ARG HB2 . 15761 1 248 . 1 1 32 32 ARG HB3 H 1 1.87 . . 2 . . . . 40 ARG HB3 . 15761 1 249 . 1 1 32 32 ARG HD2 H 1 3.19 . . 2 . . . . 40 ARG HD2 . 15761 1 250 . 1 1 32 32 ARG HD3 H 1 3.19 . . 2 . . . . 40 ARG HD3 . 15761 1 251 . 1 1 32 32 ARG HG2 H 1 1.74 . . 2 . . . . 40 ARG HG2 . 15761 1 252 . 1 1 32 32 ARG HG3 H 1 1.59 . . 2 . . . . 40 ARG HG3 . 15761 1 253 . 1 1 32 32 ARG C C 13 179.37 . . 1 . . . . 40 ARG C . 15761 1 254 . 1 1 32 32 ARG CA C 13 59.45 . . 1 . . . . 40 ARG CA . 15761 1 255 . 1 1 32 32 ARG CB C 13 29.91 . . 1 . . . . 40 ARG CB . 15761 1 256 . 1 1 32 32 ARG CD C 13 43.34 . . 1 . . . . 40 ARG CD . 15761 1 257 . 1 1 32 32 ARG CG C 13 27.58 . . 1 . . . . 40 ARG CG . 15761 1 258 . 1 1 32 32 ARG N N 15 118.47 . . 1 . . . . 40 ARG N . 15761 1 259 . 1 1 33 33 LEU H H 1 7.12 . . 1 . . . . 41 LEU H . 15761 1 260 . 1 1 33 33 LEU HA H 1 3.88 . . 1 . . . . 41 LEU HA . 15761 1 261 . 1 1 33 33 LEU HB2 H 1 1.7 . . 2 . . . . 41 LEU HB2 . 15761 1 262 . 1 1 33 33 LEU HB3 H 1 1.7 . . 2 . . . . 41 LEU HB3 . 15761 1 263 . 1 1 33 33 LEU HD11 H 1 0.82 . . 2 . . . . 41 LEU HD1 . 15761 1 264 . 1 1 33 33 LEU HD12 H 1 0.82 . . 2 . . . . 41 LEU HD1 . 15761 1 265 . 1 1 33 33 LEU HD13 H 1 0.82 . . 2 . . . . 41 LEU HD1 . 15761 1 266 . 1 1 33 33 LEU HD21 H 1 0.77 . . 2 . . . . 41 LEU HD2 . 15761 1 267 . 1 1 33 33 LEU HD22 H 1 0.77 . . 2 . . . . 41 LEU HD2 . 15761 1 268 . 1 1 33 33 LEU HD23 H 1 0.77 . . 2 . . . . 41 LEU HD2 . 15761 1 269 . 1 1 33 33 LEU HG H 1 1.15 . . 1 . . . . 41 LEU HG . 15761 1 270 . 1 1 33 33 LEU C C 13 179.27 . . 1 . . . . 41 LEU C . 15761 1 271 . 1 1 33 33 LEU CA C 13 57.31 . . 1 . . . . 41 LEU CA . 15761 1 272 . 1 1 33 33 LEU CB C 13 41.78 . . 1 . . . . 41 LEU CB . 15761 1 273 . 1 1 33 33 LEU CD1 C 13 22.2 . . 2 . . . . 41 LEU CD1 . 15761 1 274 . 1 1 33 33 LEU CD2 C 13 23.8 . . 2 . . . . 41 LEU CD2 . 15761 1 275 . 1 1 33 33 LEU CG C 13 26.57 . . 1 . . . . 41 LEU CG . 15761 1 276 . 1 1 33 33 LEU N N 15 119.37 . . 1 . . . . 41 LEU N . 15761 1 277 . 1 1 34 34 ALA H H 1 8.31 . . 1 . . . . 42 ALA H . 15761 1 278 . 1 1 34 34 ALA HA H 1 3.58 . . 1 . . . . 42 ALA HA . 15761 1 279 . 1 1 34 34 ALA HB1 H 1 1.15 . . 1 . . . . 42 ALA HB . 15761 1 280 . 1 1 34 34 ALA HB2 H 1 1.15 . . 1 . . . . 42 ALA HB . 15761 1 281 . 1 1 34 34 ALA HB3 H 1 1.15 . . 1 . . . . 42 ALA HB . 15761 1 282 . 1 1 34 34 ALA C C 13 180.27 . . 1 . . . . 42 ALA C . 15761 1 283 . 1 1 34 34 ALA CA C 13 55.19 . . 1 . . . . 42 ALA CA . 15761 1 284 . 1 1 34 34 ALA CB C 13 17.97 . . 1 . . . . 42 ALA CB . 15761 1 285 . 1 1 34 34 ALA N N 15 124.27 . . 1 . . . . 42 ALA N . 15761 1 286 . 1 1 35 35 ASP H H 1 8.65 . . 1 . . . . 43 ASP H . 15761 1 287 . 1 1 35 35 ASP HA H 1 4.49 . . 1 . . . . 43 ASP HA . 15761 1 288 . 1 1 35 35 ASP HB2 H 1 2.88 . . 2 . . . . 43 ASP HB2 . 15761 1 289 . 1 1 35 35 ASP HB3 H 1 2.63 . . 2 . . . . 43 ASP HB3 . 15761 1 290 . 1 1 35 35 ASP C C 13 180.67 . . 1 . . . . 43 ASP C . 15761 1 291 . 1 1 35 35 ASP CA C 13 57.13 . . 1 . . . . 43 ASP CA . 15761 1 292 . 1 1 35 35 ASP CB C 13 39.99 . . 1 . . . . 43 ASP CB . 15761 1 293 . 1 1 35 35 ASP N N 15 118.97 . . 1 . . . . 43 ASP N . 15761 1 294 . 1 1 36 36 GLU H H 1 7.5 . . 1 . . . . 44 GLU H . 15761 1 295 . 1 1 36 36 GLU HA H 1 4.1 . . 1 . . . . 44 GLU HA . 15761 1 296 . 1 1 36 36 GLU HB2 H 1 2.28 . . 2 . . . . 44 GLU HB2 . 15761 1 297 . 1 1 36 36 GLU HB3 H 1 2.2 . . 2 . . . . 44 GLU HB3 . 15761 1 298 . 1 1 36 36 GLU HG2 H 1 2.64 . . 2 . . . . 44 GLU HG2 . 15761 1 299 . 1 1 36 36 GLU HG3 H 1 2.4 . . 2 . . . . 44 GLU HG3 . 15761 1 300 . 1 1 36 36 GLU C C 13 177.67 . . 1 . . . . 44 GLU C . 15761 1 301 . 1 1 36 36 GLU CA C 13 59.19 . . 1 . . . . 44 GLU CA . 15761 1 302 . 1 1 36 36 GLU CB C 13 29.14 . . 1 . . . . 44 GLU CB . 15761 1 303 . 1 1 36 36 GLU CG C 13 35.69 . . 1 . . . . 44 GLU CG . 15761 1 304 . 1 1 36 36 GLU N N 15 120.47 . . 1 . . . . 44 GLU N . 15761 1 305 . 1 1 37 37 GLU H H 1 7.34 . . 1 . . . . 45 GLU H . 15761 1 306 . 1 1 37 37 GLU HA H 1 4.47 . . 1 . . . . 45 GLU HA . 15761 1 307 . 1 1 37 37 GLU HB2 H 1 1.97 . . 2 . . . . 45 GLU HB2 . 15761 1 308 . 1 1 37 37 GLU HB3 H 1 1.97 . . 2 . . . . 45 GLU HB3 . 15761 1 309 . 1 1 37 37 GLU HG2 H 1 2.47 . . 2 . . . . 45 GLU HG2 . 15761 1 310 . 1 1 37 37 GLU HG3 H 1 2.47 . . 2 . . . . 45 GLU HG3 . 15761 1 311 . 1 1 37 37 GLU C C 13 174.67 . . 1 . . . . 45 GLU C . 15761 1 312 . 1 1 37 37 GLU CA C 13 55.36 . . 1 . . . . 45 GLU CA . 15761 1 313 . 1 1 37 37 GLU CB C 13 30 . . 1 . . . . 45 GLU CB . 15761 1 314 . 1 1 37 37 GLU CG C 13 35.9 . . 1 . . . . 45 GLU CG . 15761 1 315 . 1 1 37 37 GLU N N 15 117.27 . . 1 . . . . 45 GLU N . 15761 1 316 . 1 1 38 38 VAL H H 1 7.95 . . 1 . . . . 46 VAL H . 15761 1 317 . 1 1 38 38 VAL HA H 1 3.56 . . 1 . . . . 46 VAL HA . 15761 1 318 . 1 1 38 38 VAL HB H 1 2.54 . . 1 . . . . 46 VAL HB . 15761 1 319 . 1 1 38 38 VAL HG11 H 1 1.02 . . 2 . . . . 46 VAL HG1 . 15761 1 320 . 1 1 38 38 VAL HG12 H 1 1.02 . . 2 . . . . 46 VAL HG1 . 15761 1 321 . 1 1 38 38 VAL HG13 H 1 1.02 . . 2 . . . . 46 VAL HG1 . 15761 1 322 . 1 1 38 38 VAL HG21 H 1 0.88 . . 2 . . . . 46 VAL HG2 . 15761 1 323 . 1 1 38 38 VAL HG22 H 1 0.88 . . 2 . . . . 46 VAL HG2 . 15761 1 324 . 1 1 38 38 VAL HG23 H 1 0.88 . . 2 . . . . 46 VAL HG2 . 15761 1 325 . 1 1 38 38 VAL C C 13 174.67 . . 1 . . . . 46 VAL C . 15761 1 326 . 1 1 38 38 VAL CA C 13 62.96 . . 1 . . . . 46 VAL CA . 15761 1 327 . 1 1 38 38 VAL CB C 13 29.32 . . 1 . . . . 46 VAL CB . 15761 1 328 . 1 1 38 38 VAL CG1 C 13 23.44 . . 2 . . . . 46 VAL CG1 . 15761 1 329 . 1 1 38 38 VAL CG2 C 13 21.15 . . 2 . . . . 46 VAL CG2 . 15761 1 330 . 1 1 38 38 VAL N N 15 119.67 . . 1 . . . . 46 VAL N . 15761 1 331 . 1 1 39 39 GLU H H 1 7.9 . . 1 . . . . 47 GLU H . 15761 1 332 . 1 1 39 39 GLU HA H 1 4.9 . . 1 . . . . 47 GLU HA . 15761 1 333 . 1 1 39 39 GLU HB2 H 1 2.2 . . 2 . . . . 47 GLU HB2 . 15761 1 334 . 1 1 39 39 GLU HB3 H 1 2.02 . . 2 . . . . 47 GLU HB3 . 15761 1 335 . 1 1 39 39 GLU HG2 H 1 2.56 . . 2 . . . . 47 GLU HG2 . 15761 1 336 . 1 1 39 39 GLU HG3 H 1 2.56 . . 2 . . . . 47 GLU HG3 . 15761 1 337 . 1 1 39 39 GLU C C 13 175.27 . . 1 . . . . 47 GLU C . 15761 1 338 . 1 1 39 39 GLU CA C 13 53.7 . . 1 . . . . 47 GLU CA . 15761 1 339 . 1 1 39 39 GLU CB C 13 33.37 . . 1 . . . . 47 GLU CB . 15761 1 340 . 1 1 39 39 GLU N N 15 118.97 . . 1 . . . . 47 GLU N . 15761 1 341 . 1 1 40 40 SER H H 1 8.62 . . 1 . . . . 48 SER H . 15761 1 342 . 1 1 40 40 SER HA H 1 4.58 . . 1 . . . . 48 SER HA . 15761 1 343 . 1 1 40 40 SER HB2 H 1 4.49 . . 2 . . . . 48 SER HB2 . 15761 1 344 . 1 1 40 40 SER HB3 H 1 4.16 . . 2 . . . . 48 SER HB3 . 15761 1 345 . 1 1 40 40 SER C C 13 175.67 . . 1 . . . . 48 SER C . 15761 1 346 . 1 1 40 40 SER CA C 13 57.27 . . 1 . . . . 48 SER CA . 15761 1 347 . 1 1 40 40 SER CB C 13 65.03 . . 1 . . . . 48 SER CB . 15761 1 348 . 1 1 40 40 SER N N 15 116.27 . . 1 . . . . 48 SER N . 15761 1 349 . 1 1 41 41 VAL H H 1 8.86 . . 1 . . . . 49 VAL H . 15761 1 350 . 1 1 41 41 VAL HA H 1 3.41 . . 1 . . . . 49 VAL HA . 15761 1 351 . 1 1 41 41 VAL HB H 1 2.13 . . 1 . . . . 49 VAL HB . 15761 1 352 . 1 1 41 41 VAL HG11 H 1 0.81 . . 2 . . . . 49 VAL HG1 . 15761 1 353 . 1 1 41 41 VAL HG12 H 1 0.81 . . 2 . . . . 49 VAL HG1 . 15761 1 354 . 1 1 41 41 VAL HG13 H 1 0.81 . . 2 . . . . 49 VAL HG1 . 15761 1 355 . 1 1 41 41 VAL HG21 H 1 0.79 . . 2 . . . . 49 VAL HG2 . 15761 1 356 . 1 1 41 41 VAL HG22 H 1 0.79 . . 2 . . . . 49 VAL HG2 . 15761 1 357 . 1 1 41 41 VAL HG23 H 1 0.79 . . 2 . . . . 49 VAL HG2 . 15761 1 358 . 1 1 41 41 VAL CA C 13 68.02 . . 1 . . . . 49 VAL CA . 15761 1 359 . 1 1 41 41 VAL CB C 13 31.32 . . 1 . . . . 49 VAL CB . 15761 1 360 . 1 1 41 41 VAL CG1 C 13 22.68 . . 2 . . . . 49 VAL CG1 . 15761 1 361 . 1 1 41 41 VAL CG2 C 13 22.95 . . 2 . . . . 49 VAL CG2 . 15761 1 362 . 1 1 41 41 VAL N N 15 123.47 . . 1 . . . . 49 VAL N . 15761 1 363 . 1 1 42 42 ASN H H 1 8.5 . . 1 . . . . 50 ASN H . 15761 1 364 . 1 1 42 42 ASN HA H 1 4.37 . . 1 . . . . 50 ASN HA . 15761 1 365 . 1 1 42 42 ASN HB2 H 1 3.27 . . 2 . . . . 50 ASN HB2 . 15761 1 366 . 1 1 42 42 ASN HB3 H 1 2.86 . . 2 . . . . 50 ASN HB3 . 15761 1 367 . 1 1 42 42 ASN HD21 H 1 6.9 . . 2 . . . . 50 ASN HD21 . 15761 1 368 . 1 1 42 42 ASN HD22 H 1 7.58 . . 2 . . . . 50 ASN HD22 . 15761 1 369 . 1 1 42 42 ASN C C 13 177.77 . . 1 . . . . 50 ASN C . 15761 1 370 . 1 1 42 42 ASN CA C 13 56.88 . . 1 . . . . 50 ASN CA . 15761 1 371 . 1 1 42 42 ASN CB C 13 38.05 . . 1 . . . . 50 ASN CB . 15761 1 372 . 1 1 42 42 ASN N N 15 117.47 . . 1 . . . . 50 ASN N . 15761 1 373 . 1 1 42 42 ASN ND2 N 15 113.7 . . 1 . . . . 50 ASN ND2 . 15761 1 374 . 1 1 43 43 SER H H 1 7.99 . . 1 . . . . 51 SER H . 15761 1 375 . 1 1 43 43 SER HA H 1 4.23 . . 1 . . . . 51 SER HA . 15761 1 376 . 1 1 43 43 SER HB2 H 1 4.04 . . 2 . . . . 51 SER HB2 . 15761 1 377 . 1 1 43 43 SER HB3 H 1 4.04 . . 2 . . . . 51 SER HB3 . 15761 1 378 . 1 1 43 43 SER C C 13 176.27 . . 1 . . . . 51 SER C . 15761 1 379 . 1 1 43 43 SER CA C 13 61.52 . . 1 . . . . 51 SER CA . 15761 1 380 . 1 1 43 43 SER CB C 13 63.01 . . 1 . . . . 51 SER CB . 15761 1 381 . 1 1 43 43 SER N N 15 116.37 . . 1 . . . . 51 SER N . 15761 1 382 . 1 1 44 44 PHE H H 1 8.67 . . 1 . . . . 52 PHE H . 15761 1 383 . 1 1 44 44 PHE HA H 1 4.07 . . 1 . . . . 52 PHE HA . 15761 1 384 . 1 1 44 44 PHE HB2 H 1 3.15 . . 2 . . . . 52 PHE HB2 . 15761 1 385 . 1 1 44 44 PHE HB3 H 1 3.23 . . 2 . . . . 52 PHE HB3 . 15761 1 386 . 1 1 44 44 PHE HD1 H 1 7.09 . . 3 . . . . 52 PHE HD1 . 15761 1 387 . 1 1 44 44 PHE HD2 H 1 7.09 . . 3 . . . . 52 PHE HD2 . 15761 1 388 . 1 1 44 44 PHE HE1 H 1 7.09 . . 3 . . . . 52 PHE HE1 . 15761 1 389 . 1 1 44 44 PHE HE2 H 1 7.09 . . 3 . . . . 52 PHE HE2 . 15761 1 390 . 1 1 44 44 PHE HZ H 1 7.07 . . 1 . . . . 52 PHE HZ . 15761 1 391 . 1 1 44 44 PHE C C 13 178.37 . . 1 . . . . 52 PHE C . 15761 1 392 . 1 1 44 44 PHE CA C 13 61.9 . . 1 . . . . 52 PHE CA . 15761 1 393 . 1 1 44 44 PHE CB C 13 40.27 . . 1 . . . . 52 PHE CB . 15761 1 394 . 1 1 44 44 PHE CD1 C 13 129.9 . . 3 . . . . 52 PHE CD1 . 15761 1 395 . 1 1 44 44 PHE CD2 C 13 129.9 . . 3 . . . . 52 PHE CD2 . 15761 1 396 . 1 1 44 44 PHE CE1 C 13 133 . . 3 . . . . 52 PHE CE1 . 15761 1 397 . 1 1 44 44 PHE CE2 C 13 133 . . 3 . . . . 52 PHE CE2 . 15761 1 398 . 1 1 44 44 PHE CZ C 13 127.8 . . 1 . . . . 52 PHE CZ . 15761 1 399 . 1 1 44 44 PHE N N 15 124.47 . . 1 . . . . 52 PHE N . 15761 1 400 . 1 1 45 45 VAL H H 1 8.69 . . 1 . . . . 53 VAL H . 15761 1 401 . 1 1 45 45 VAL HA H 1 3.26 . . 1 . . . . 53 VAL HA . 15761 1 402 . 1 1 45 45 VAL HB H 1 2.11 . . 1 . . . . 53 VAL HB . 15761 1 403 . 1 1 45 45 VAL HG11 H 1 1.02 . . 2 . . . . 53 VAL HG1 . 15761 1 404 . 1 1 45 45 VAL HG12 H 1 1.02 . . 2 . . . . 53 VAL HG1 . 15761 1 405 . 1 1 45 45 VAL HG13 H 1 1.02 . . 2 . . . . 53 VAL HG1 . 15761 1 406 . 1 1 45 45 VAL HG21 H 1 1.3 . . 2 . . . . 53 VAL HG2 . 15761 1 407 . 1 1 45 45 VAL HG22 H 1 1.3 . . 2 . . . . 53 VAL HG2 . 15761 1 408 . 1 1 45 45 VAL HG23 H 1 1.3 . . 2 . . . . 53 VAL HG2 . 15761 1 409 . 1 1 45 45 VAL C C 13 176.67 . . 1 . . . . 53 VAL C . 15761 1 410 . 1 1 45 45 VAL CA C 13 67.21 . . 1 . . . . 53 VAL CA . 15761 1 411 . 1 1 45 45 VAL CB C 13 31.1 . . 1 . . . . 53 VAL CB . 15761 1 412 . 1 1 45 45 VAL CG1 C 13 22.11 . . 2 . . . . 53 VAL CG1 . 15761 1 413 . 1 1 45 45 VAL CG2 C 13 25.22 . . 2 . . . . 53 VAL CG2 . 15761 1 414 . 1 1 45 45 VAL N N 15 119.47 . . 1 . . . . 53 VAL N . 15761 1 415 . 1 1 46 46 LYS H H 1 7.68 . . 1 . . . . 54 LYS H . 15761 1 416 . 1 1 46 46 LYS HA H 1 2.6 . . 1 . . . . 54 LYS HA . 15761 1 417 . 1 1 46 46 LYS HB2 H 1 1.86 . . 2 . . . . 54 LYS HB2 . 15761 1 418 . 1 1 46 46 LYS HB3 H 1 1.86 . . 2 . . . . 54 LYS HB3 . 15761 1 419 . 1 1 46 46 LYS C C 13 177.67 . . 1 . . . . 54 LYS C . 15761 1 420 . 1 1 46 46 LYS CA C 13 60.55 . . 1 . . . . 54 LYS CA . 15761 1 421 . 1 1 46 46 LYS CB C 13 32.11 . . 1 . . . . 54 LYS CB . 15761 1 422 . 1 1 46 46 LYS N N 15 120.77 . . 1 . . . . 54 LYS N . 15761 1 423 . 1 1 47 47 ARG H H 1 8.36 . . 1 . . . . 55 ARG H . 15761 1 424 . 1 1 47 47 ARG HA H 1 3.81 . . 1 . . . . 55 ARG HA . 15761 1 425 . 1 1 47 47 ARG HB2 H 1 1.82 . . 2 . . . . 55 ARG HB2 . 15761 1 426 . 1 1 47 47 ARG HB3 H 1 1.82 . . 2 . . . . 55 ARG HB3 . 15761 1 427 . 1 1 47 47 ARG HG2 H 1 1.54 . . 2 . . . . 55 ARG HG2 . 15761 1 428 . 1 1 47 47 ARG HG3 H 1 1.54 . . 2 . . . . 55 ARG HG3 . 15761 1 429 . 1 1 47 47 ARG C C 13 178.57 . . 1 . . . . 55 ARG C . 15761 1 430 . 1 1 47 47 ARG CA C 13 60.3 . . 1 . . . . 55 ARG CA . 15761 1 431 . 1 1 47 47 ARG CB C 13 30 . . 1 . . . . 55 ARG CB . 15761 1 432 . 1 1 47 47 ARG CD C 13 43.45 . . 1 . . . . 55 ARG CD . 15761 1 433 . 1 1 47 47 ARG CG C 13 27.81 . . 1 . . . . 55 ARG CG . 15761 1 434 . 1 1 47 47 ARG N N 15 117.47 . . 1 . . . . 55 ARG N . 15761 1 435 . 1 1 48 48 HIS H H 1 7.77 . . 1 . . . . 56 HIS H . 15761 1 436 . 1 1 48 48 HIS HA H 1 4.15 . . 1 . . . . 56 HIS HA . 15761 1 437 . 1 1 48 48 HIS HB2 H 1 2.99 . . 2 . . . . 56 HIS HB2 . 15761 1 438 . 1 1 48 48 HIS HB3 H 1 2.66 . . 2 . . . . 56 HIS HB3 . 15761 1 439 . 1 1 48 48 HIS HD2 H 1 6.45 . . 1 . . . . 56 HIS HD2 . 15761 1 440 . 1 1 48 48 HIS HE1 H 1 7.93 . . 1 . . . . 56 HIS HE1 . 15761 1 441 . 1 1 48 48 HIS C C 13 179.27 . . 1 . . . . 56 HIS C . 15761 1 442 . 1 1 48 48 HIS CA C 13 60.4 . . 1 . . . . 56 HIS CA . 15761 1 443 . 1 1 48 48 HIS CB C 13 30.17 . . 1 . . . . 56 HIS CB . 15761 1 444 . 1 1 48 48 HIS CE1 C 13 139.6 . . 1 . . . . 56 HIS CE1 . 15761 1 445 . 1 1 48 48 HIS N N 15 118.97 . . 1 . . . . 56 HIS N . 15761 1 446 . 1 1 49 49 ILE H H 1 8.37 . . 1 . . . . 57 ILE H . 15761 1 447 . 1 1 49 49 ILE HA H 1 3.63 . . 1 . . . . 57 ILE HA . 15761 1 448 . 1 1 49 49 ILE HB H 1 2.22 . . 1 . . . . 57 ILE HB . 15761 1 449 . 1 1 49 49 ILE HD11 H 1 0.88 . . 1 . . . . 57 ILE HD1 . 15761 1 450 . 1 1 49 49 ILE HD12 H 1 0.88 . . 1 . . . . 57 ILE HD1 . 15761 1 451 . 1 1 49 49 ILE HD13 H 1 0.88 . . 1 . . . . 57 ILE HD1 . 15761 1 452 . 1 1 49 49 ILE HG12 H 1 1.94 . . 2 . . . . 57 ILE HG12 . 15761 1 453 . 1 1 49 49 ILE HG13 H 1 1.45 . . 2 . . . . 57 ILE HG13 . 15761 1 454 . 1 1 49 49 ILE HG21 H 1 1 . . 1 . . . . 57 ILE HG2 . 15761 1 455 . 1 1 49 49 ILE HG22 H 1 1 . . 1 . . . . 57 ILE HG2 . 15761 1 456 . 1 1 49 49 ILE HG23 H 1 1 . . 1 . . . . 57 ILE HG2 . 15761 1 457 . 1 1 49 49 ILE C C 13 178.37 . . 1 . . . . 57 ILE C . 15761 1 458 . 1 1 49 49 ILE CA C 13 61.97 . . 1 . . . . 57 ILE CA . 15761 1 459 . 1 1 49 49 ILE CB C 13 35.49 . . 1 . . . . 57 ILE CB . 15761 1 460 . 1 1 49 49 ILE CD1 C 13 11.37 . . 1 . . . . 57 ILE CD1 . 15761 1 461 . 1 1 49 49 ILE CG1 C 13 26.84 . . 1 . . . . 57 ILE CG1 . 15761 1 462 . 1 1 49 49 ILE CG2 C 13 17.95 . . 1 . . . . 57 ILE CG2 . 15761 1 463 . 1 1 49 49 ILE N N 15 122.57 . . 1 . . . . 57 ILE N . 15761 1 464 . 1 1 50 50 LEU H H 1 8.74 . . 1 . . . . 58 LEU H . 15761 1 465 . 1 1 50 50 LEU HA H 1 3.9 . . 1 . . . . 58 LEU HA . 15761 1 466 . 1 1 50 50 LEU HB2 H 1 1.98 . . 2 . . . . 58 LEU HB2 . 15761 1 467 . 1 1 50 50 LEU HB3 H 1 1.9 . . 2 . . . . 58 LEU HB3 . 15761 1 468 . 1 1 50 50 LEU HD11 H 1 0.98 . . 2 . . . . 58 LEU HD1 . 15761 1 469 . 1 1 50 50 LEU HD12 H 1 0.98 . . 2 . . . . 58 LEU HD1 . 15761 1 470 . 1 1 50 50 LEU HD13 H 1 0.98 . . 2 . . . . 58 LEU HD1 . 15761 1 471 . 1 1 50 50 LEU HD21 H 1 0.96 . . 2 . . . . 58 LEU HD2 . 15761 1 472 . 1 1 50 50 LEU HD22 H 1 0.96 . . 2 . . . . 58 LEU HD2 . 15761 1 473 . 1 1 50 50 LEU HD23 H 1 0.96 . . 2 . . . . 58 LEU HD2 . 15761 1 474 . 1 1 50 50 LEU HG H 1 1.63 . . 1 . . . . 58 LEU HG . 15761 1 475 . 1 1 50 50 LEU C C 13 177.57 . . 1 . . . . 58 LEU C . 15761 1 476 . 1 1 50 50 LEU CA C 13 59.45 . . 1 . . . . 58 LEU CA . 15761 1 477 . 1 1 50 50 LEU CB C 13 41.19 . . 1 . . . . 58 LEU CB . 15761 1 478 . 1 1 50 50 LEU CD1 C 13 25.71 . . 2 . . . . 58 LEU CD1 . 15761 1 479 . 1 1 50 50 LEU CD2 C 13 23.37 . . 2 . . . . 58 LEU CD2 . 15761 1 480 . 1 1 50 50 LEU CG C 13 27.72 . . 1 . . . . 58 LEU CG . 15761 1 481 . 1 1 50 50 LEU N N 15 123.37 . . 1 . . . . 58 LEU N . 15761 1 482 . 1 1 51 51 LYS H H 1 8.04 . . 1 . . . . 59 LYS H . 15761 1 483 . 1 1 51 51 LYS HA H 1 4.32 . . 1 . . . . 59 LYS HA . 15761 1 484 . 1 1 51 51 LYS CA C 13 59.06 . . 1 . . . . 59 LYS CA . 15761 1 485 . 1 1 51 51 LYS CB C 13 33.28 . . 1 . . . . 59 LYS CB . 15761 1 486 . 1 1 51 51 LYS N N 15 115.57 . . 1 . . . . 59 LYS N . 15761 1 487 . 1 1 52 52 THR H H 1 7.88 . . 1 . . . . 60 THR H . 15761 1 488 . 1 1 52 52 THR HA H 1 4.3 . . 1 . . . . 60 THR HA . 15761 1 489 . 1 1 52 52 THR HB H 1 4.2 . . 1 . . . . 60 THR HB . 15761 1 490 . 1 1 52 52 THR HG21 H 1 1.04 . . 1 . . . . 60 THR HG2 . 15761 1 491 . 1 1 52 52 THR HG22 H 1 1.04 . . 1 . . . . 60 THR HG2 . 15761 1 492 . 1 1 52 52 THR HG23 H 1 1.04 . . 1 . . . . 60 THR HG2 . 15761 1 493 . 1 1 52 52 THR C C 13 175.17 . . 1 . . . . 60 THR C . 15761 1 494 . 1 1 52 52 THR CA C 13 63.38 . . 1 . . . . 60 THR CA . 15761 1 495 . 1 1 52 52 THR CB C 13 70.62 . . 1 . . . . 60 THR CB . 15761 1 496 . 1 1 52 52 THR CG2 C 13 21.36 . . 1 . . . . 60 THR CG2 . 15761 1 497 . 1 1 52 52 THR N N 15 126.77 . . 1 . . . . 60 THR N . 15761 1 498 . 1 1 53 53 ILE H H 1 7.43 . . 1 . . . . 61 ILE H . 15761 1 499 . 1 1 53 53 ILE HA H 1 4.21 . . 1 . . . . 61 ILE HA . 15761 1 500 . 1 1 53 53 ILE HB H 1 1.83 . . 1 . . . . 61 ILE HB . 15761 1 501 . 1 1 53 53 ILE HD11 H 1 0.2 . . 1 . . . . 61 ILE HD1 . 15761 1 502 . 1 1 53 53 ILE HD12 H 1 0.2 . . 1 . . . . 61 ILE HD1 . 15761 1 503 . 1 1 53 53 ILE HD13 H 1 0.2 . . 1 . . . . 61 ILE HD1 . 15761 1 504 . 1 1 53 53 ILE HG12 H 1 1.18 . . 2 . . . . 61 ILE HG12 . 15761 1 505 . 1 1 53 53 ILE HG13 H 1 0.76 . . 2 . . . . 61 ILE HG13 . 15761 1 506 . 1 1 53 53 ILE HG21 H 1 0.69 . . 1 . . . . 61 ILE HG2 . 15761 1 507 . 1 1 53 53 ILE HG22 H 1 0.69 . . 1 . . . . 61 ILE HG2 . 15761 1 508 . 1 1 53 53 ILE HG23 H 1 0.69 . . 1 . . . . 61 ILE HG2 . 15761 1 509 . 1 1 53 53 ILE C C 13 176.17 . . 1 . . . . 61 ILE C . 15761 1 510 . 1 1 53 53 ILE CA C 13 63.1 . . 1 . . . . 61 ILE CA . 15761 1 511 . 1 1 53 53 ILE CB C 13 39.87 . . 1 . . . . 61 ILE CB . 15761 1 512 . 1 1 53 53 ILE CD1 C 13 11.84 . . 1 . . . . 61 ILE CD1 . 15761 1 513 . 1 1 53 53 ILE CG1 C 13 26.53 . . 1 . . . . 61 ILE CG1 . 15761 1 514 . 1 1 53 53 ILE CG2 C 13 17.92 . . 1 . . . . 61 ILE CG2 . 15761 1 515 . 1 1 53 53 ILE N N 15 118.37 . . 1 . . . . 61 ILE N . 15761 1 516 . 1 1 54 54 ILE H H 1 7.36 . . 1 . . . . 62 ILE H . 15761 1 517 . 1 1 54 54 ILE HA H 1 3.53 . . 1 . . . . 62 ILE HA . 15761 1 518 . 1 1 54 54 ILE HB H 1 1.7 . . 1 . . . . 62 ILE HB . 15761 1 519 . 1 1 54 54 ILE HD11 H 1 0.84 . . 1 . . . . 62 ILE HD1 . 15761 1 520 . 1 1 54 54 ILE HD12 H 1 0.84 . . 1 . . . . 62 ILE HD1 . 15761 1 521 . 1 1 54 54 ILE HD13 H 1 0.84 . . 1 . . . . 62 ILE HD1 . 15761 1 522 . 1 1 54 54 ILE HG12 H 1 1.5 . . 2 . . . . 62 ILE HG12 . 15761 1 523 . 1 1 54 54 ILE HG13 H 1 0.96 . . 2 . . . . 62 ILE HG13 . 15761 1 524 . 1 1 54 54 ILE HG21 H 1 0.34 . . 1 . . . . 62 ILE HG2 . 15761 1 525 . 1 1 54 54 ILE HG22 H 1 0.34 . . 1 . . . . 62 ILE HG2 . 15761 1 526 . 1 1 54 54 ILE HG23 H 1 0.34 . . 1 . . . . 62 ILE HG2 . 15761 1 527 . 1 1 54 54 ILE C C 13 176.37 . . 1 . . . . 62 ILE C . 15761 1 528 . 1 1 54 54 ILE CA C 13 65.97 . . 1 . . . . 62 ILE CA . 15761 1 529 . 1 1 54 54 ILE CB C 13 38.23 . . 1 . . . . 62 ILE CB . 15761 1 530 . 1 1 54 54 ILE CD1 C 13 13.06 . . 1 . . . . 62 ILE CD1 . 15761 1 531 . 1 1 54 54 ILE CG1 C 13 28.77 . . 1 . . . . 62 ILE CG1 . 15761 1 532 . 1 1 54 54 ILE CG2 C 13 16.54 . . 1 . . . . 62 ILE CG2 . 15761 1 533 . 1 1 54 54 ILE N N 15 118.27 . . 1 . . . . 62 ILE N . 15761 1 534 . 1 1 55 55 TYR H H 1 8.87 . . 1 . . . . 63 TYR H . 15761 1 535 . 1 1 55 55 TYR HA H 1 4.88 . . 1 . . . . 63 TYR HA . 15761 1 536 . 1 1 55 55 TYR HB2 H 1 3.23 . . 2 . . . . 63 TYR HB2 . 15761 1 537 . 1 1 55 55 TYR HB3 H 1 2.79 . . 2 . . . . 63 TYR HB3 . 15761 1 538 . 1 1 55 55 TYR HD1 H 1 7.09 . . 3 . . . . 63 TYR HD1 . 15761 1 539 . 1 1 55 55 TYR HD2 H 1 7.09 . . 3 . . . . 63 TYR HD2 . 15761 1 540 . 1 1 55 55 TYR HE1 H 1 6.83 . . 3 . . . . 63 TYR HE1 . 15761 1 541 . 1 1 55 55 TYR HE2 H 1 6.83 . . 3 . . . . 63 TYR HE2 . 15761 1 542 . 1 1 55 55 TYR C C 13 176.17 . . 1 . . . . 63 TYR C . 15761 1 543 . 1 1 55 55 TYR CA C 13 56.45 . . 1 . . . . 63 TYR CA . 15761 1 544 . 1 1 55 55 TYR CB C 13 36.91 . . 1 . . . . 63 TYR CB . 15761 1 545 . 1 1 55 55 TYR CD1 C 13 132.97 . . 3 . . . . 63 TYR CD1 . 15761 1 546 . 1 1 55 55 TYR CD2 C 13 132.97 . . 3 . . . . 63 TYR CD2 . 15761 1 547 . 1 1 55 55 TYR CE1 C 13 118.09 . . 3 . . . . 63 TYR CE1 . 15761 1 548 . 1 1 55 55 TYR CE2 C 13 118.09 . . 3 . . . . 63 TYR CE2 . 15761 1 549 . 1 1 55 55 TYR N N 15 119.17 . . 1 . . . . 63 TYR N . 15761 1 550 . 1 1 56 56 LYS H H 1 6.96 . . 1 . . . . 64 LYS H . 15761 1 551 . 1 1 56 56 LYS HA H 1 4.21 . . 1 . . . . 64 LYS HA . 15761 1 552 . 1 1 56 56 LYS HB2 H 1 1.67 . . 2 . . . . 64 LYS HB2 . 15761 1 553 . 1 1 56 56 LYS HB3 H 1 1.67 . . 2 . . . . 64 LYS HB3 . 15761 1 554 . 1 1 56 56 LYS HE2 H 1 3.02 . . 2 . . . . 64 LYS HE2 . 15761 1 555 . 1 1 56 56 LYS HE3 H 1 3.02 . . 2 . . . . 64 LYS HE3 . 15761 1 556 . 1 1 56 56 LYS HG2 H 1 1.32 . . 2 . . . . 64 LYS HG2 . 15761 1 557 . 1 1 56 56 LYS HG3 H 1 1.32 . . 2 . . . . 64 LYS HG3 . 15761 1 558 . 1 1 56 56 LYS C C 13 176.87 . . 1 . . . . 64 LYS C . 15761 1 559 . 1 1 56 56 LYS CA C 13 57.15 . . 1 . . . . 64 LYS CA . 15761 1 560 . 1 1 56 56 LYS CB C 13 32.91 . . 1 . . . . 64 LYS CB . 15761 1 561 . 1 1 56 56 LYS CD C 13 29.38 . . 1 . . . . 64 LYS CD . 15761 1 562 . 1 1 56 56 LYS CE C 13 41.82 . . 1 . . . . 64 LYS CE . 15761 1 563 . 1 1 56 56 LYS CG C 13 24.49 . . 1 . . . . 64 LYS CG . 15761 1 564 . 1 1 56 56 LYS N N 15 120.27 . . 1 . . . . 64 LYS N . 15761 1 565 . 1 1 57 57 LYS H H 1 8.44 . . 1 . . . . 65 LYS H . 15761 1 566 . 1 1 57 57 LYS HA H 1 4.38 . . 1 . . . . 65 LYS HA . 15761 1 567 . 1 1 57 57 LYS HB2 H 1 1.92 . . 2 . . . . 65 LYS HB2 . 15761 1 568 . 1 1 57 57 LYS HB3 H 1 1.81 . . 2 . . . . 65 LYS HB3 . 15761 1 569 . 1 1 57 57 LYS HD2 H 1 1.72 . . 2 . . . . 65 LYS HD2 . 15761 1 570 . 1 1 57 57 LYS HD3 H 1 1.72 . . 2 . . . . 65 LYS HD3 . 15761 1 571 . 1 1 57 57 LYS HE2 H 1 3.03 . . 2 . . . . 65 LYS HE2 . 15761 1 572 . 1 1 57 57 LYS HE3 H 1 3.03 . . 2 . . . . 65 LYS HE3 . 15761 1 573 . 1 1 57 57 LYS HG2 H 1 1.48 . . 2 . . . . 65 LYS HG2 . 15761 1 574 . 1 1 57 57 LYS HG3 H 1 1.48 . . 2 . . . . 65 LYS HG3 . 15761 1 575 . 1 1 57 57 LYS C C 13 177.07 . . 1 . . . . 65 LYS C . 15761 1 576 . 1 1 57 57 LYS CA C 13 56.56 . . 1 . . . . 65 LYS CA . 15761 1 577 . 1 1 57 57 LYS CB C 13 32.9 . . 1 . . . . 65 LYS CB . 15761 1 578 . 1 1 57 57 LYS CD C 13 29.08 . . 1 . . . . 65 LYS CD . 15761 1 579 . 1 1 57 57 LYS CE C 13 41.51 . . 1 . . . . 65 LYS CE . 15761 1 580 . 1 1 57 57 LYS CG C 13 24.73 . . 1 . . . . 65 LYS CG . 15761 1 581 . 1 1 57 57 LYS N N 15 122.57 . . 1 . . . . 65 LYS N . 15761 1 582 . 1 1 58 58 GLY H H 1 8.42 . . 1 . . . . 66 GLY H . 15761 1 583 . 1 1 58 58 GLY HA2 H 1 4.15 . . 2 . . . . 66 GLY HA2 . 15761 1 584 . 1 1 58 58 GLY HA3 H 1 4.02 . . 2 . . . . 66 GLY HA3 . 15761 1 585 . 1 1 58 58 GLY C C 13 174.37 . . 1 . . . . 66 GLY C . 15761 1 586 . 1 1 58 58 GLY CA C 13 45.35 . . 1 . . . . 66 GLY CA . 15761 1 587 . 1 1 58 58 GLY N N 15 110.97 . . 1 . . . . 66 GLY N . 15761 1 588 . 1 1 59 59 THR H H 1 8.13 . . 1 . . . . 67 THR H . 15761 1 589 . 1 1 59 59 THR HA H 1 4.4 . . 1 . . . . 67 THR HA . 15761 1 590 . 1 1 59 59 THR HB H 1 4.29 . . 1 . . . . 67 THR HB . 15761 1 591 . 1 1 59 59 THR HG21 H 1 1.18 . . 1 . . . . 67 THR HG2 . 15761 1 592 . 1 1 59 59 THR HG22 H 1 1.18 . . 1 . . . . 67 THR HG2 . 15761 1 593 . 1 1 59 59 THR HG23 H 1 1.18 . . 1 . . . . 67 THR HG2 . 15761 1 594 . 1 1 59 59 THR C C 13 174.57 . . 1 . . . . 67 THR C . 15761 1 595 . 1 1 59 59 THR CA C 13 61.78 . . 1 . . . . 67 THR CA . 15761 1 596 . 1 1 59 59 THR CB C 13 70.09 . . 1 . . . . 67 THR CB . 15761 1 597 . 1 1 59 59 THR CG2 C 13 21.38 . . 1 . . . . 67 THR CG2 . 15761 1 598 . 1 1 59 59 THR N N 15 113.57 . . 1 . . . . 67 THR N . 15761 1 599 . 1 1 60 60 ASN H H 1 8.57 . . 1 . . . . 68 ASN H . 15761 1 600 . 1 1 60 60 ASN HA H 1 4.67 . . 1 . . . . 68 ASN HA . 15761 1 601 . 1 1 60 60 ASN HB2 H 1 2.82 . . 2 . . . . 68 ASN HB2 . 15761 1 602 . 1 1 60 60 ASN HB3 H 1 2.82 . . 2 . . . . 68 ASN HB3 . 15761 1 603 . 1 1 60 60 ASN C C 13 175.37 . . 1 . . . . 68 ASN C . 15761 1 604 . 1 1 60 60 ASN CA C 13 53.56 . . 1 . . . . 68 ASN CA . 15761 1 605 . 1 1 60 60 ASN CB C 13 38.84 . . 1 . . . . 68 ASN CB . 15761 1 606 . 1 1 60 60 ASN N N 15 121.27 . . 1 . . . . 68 ASN N . 15761 1 607 . 1 1 61 61 GLN H H 1 8.41 . . 1 . . . . 69 GLN H . 15761 1 608 . 1 1 61 61 GLN HA H 1 4.3 . . 1 . . . . 69 GLN HA . 15761 1 609 . 1 1 61 61 GLN HB2 H 1 2.12 . . 2 . . . . 69 GLN HB2 . 15761 1 610 . 1 1 61 61 GLN HB3 H 1 1.95 . . 2 . . . . 69 GLN HB3 . 15761 1 611 . 1 1 61 61 GLN HG2 H 1 2.32 . . 2 . . . . 69 GLN HG2 . 15761 1 612 . 1 1 61 61 GLN HG3 H 1 2.32 . . 2 . . . . 69 GLN HG3 . 15761 1 613 . 1 1 61 61 GLN C C 13 175.77 . . 1 . . . . 69 GLN C . 15761 1 614 . 1 1 61 61 GLN CA C 13 56.21 . . 1 . . . . 69 GLN CA . 15761 1 615 . 1 1 61 61 GLN CB C 13 29.42 . . 1 . . . . 69 GLN CB . 15761 1 616 . 1 1 61 61 GLN CG C 13 33.8 . . 1 . . . . 69 GLN CG . 15761 1 617 . 1 1 61 61 GLN N N 15 121.27 . . 1 . . . . 69 GLN N . 15761 1 618 . 1 1 62 62 ASP H H 1 8.36 . . 1 . . . . 70 ASP H . 15761 1 619 . 1 1 62 62 ASP HA H 1 4.63 . . 1 . . . . 70 ASP HA . 15761 1 620 . 1 1 62 62 ASP HB2 H 1 2.76 . . 2 . . . . 70 ASP HB2 . 15761 1 621 . 1 1 62 62 ASP HB3 H 1 2.68 . . 2 . . . . 70 ASP HB3 . 15761 1 622 . 1 1 62 62 ASP C C 13 176.47 . . 1 . . . . 70 ASP C . 15761 1 623 . 1 1 62 62 ASP CA C 13 54.6 . . 1 . . . . 70 ASP CA . 15761 1 624 . 1 1 62 62 ASP CB C 13 41.24 . . 1 . . . . 70 ASP CB . 15761 1 625 . 1 1 62 62 ASP N N 15 121.87 . . 1 . . . . 70 ASP N . 15761 1 626 . 1 1 63 63 SER H H 1 8.29 . . 1 . . . . 71 SER H . 15761 1 627 . 1 1 63 63 SER HA H 1 4.47 . . 1 . . . . 71 SER HA . 15761 1 628 . 1 1 63 63 SER C C 13 174.77 . . 1 . . . . 71 SER C . 15761 1 629 . 1 1 63 63 SER CA C 13 58.68 . . 1 . . . . 71 SER CA . 15761 1 630 . 1 1 63 63 SER CB C 13 63.79 . . 1 . . . . 71 SER CB . 15761 1 631 . 1 1 63 63 SER N N 15 117.17 . . 1 . . . . 71 SER N . 15761 1 632 . 1 1 64 64 SER H H 1 8.42 . . 1 . . . . 72 SER H . 15761 1 633 . 1 1 64 64 SER HA H 1 4.47 . . 1 . . . . 72 SER HA . 15761 1 634 . 1 1 64 64 SER HB2 H 1 3.91 . . 2 . . . . 72 SER HB2 . 15761 1 635 . 1 1 64 64 SER C C 13 174.47 . . 1 . . . . 72 SER C . 15761 1 636 . 1 1 64 64 SER CA C 13 58.81 . . 1 . . . . 72 SER CA . 15761 1 637 . 1 1 64 64 SER CB C 13 63.86 . . 1 . . . . 72 SER CB . 15761 1 638 . 1 1 64 64 SER N N 15 118.67 . . 1 . . . . 72 SER N . 15761 1 639 . 1 1 65 65 ILE H H 1 8 . . 1 . . . . 73 ILE H . 15761 1 640 . 1 1 65 65 ILE HA H 1 4.24 . . 1 . . . . 73 ILE HA . 15761 1 641 . 1 1 65 65 ILE HB H 1 1.9 . . 1 . . . . 73 ILE HB . 15761 1 642 . 1 1 65 65 ILE HD11 H 1 0.86 . . 1 . . . . 73 ILE HD1 . 15761 1 643 . 1 1 65 65 ILE HD12 H 1 0.86 . . 1 . . . . 73 ILE HD1 . 15761 1 644 . 1 1 65 65 ILE HD13 H 1 0.86 . . 1 . . . . 73 ILE HD1 . 15761 1 645 . 1 1 65 65 ILE HG12 H 1 1.46 . . 2 . . . . 73 ILE HG12 . 15761 1 646 . 1 1 65 65 ILE HG13 H 1 1.16 . . 2 . . . . 73 ILE HG13 . 15761 1 647 . 1 1 65 65 ILE HG21 H 1 0.92 . . 1 . . . . 73 ILE HG2 . 15761 1 648 . 1 1 65 65 ILE HG22 H 1 0.92 . . 1 . . . . 73 ILE HG2 . 15761 1 649 . 1 1 65 65 ILE HG23 H 1 0.92 . . 1 . . . . 73 ILE HG2 . 15761 1 650 . 1 1 65 65 ILE C C 13 175.17 . . 1 . . . . 73 ILE C . 15761 1 651 . 1 1 65 65 ILE CA C 13 61.42 . . 1 . . . . 73 ILE CA . 15761 1 652 . 1 1 65 65 ILE CB C 13 38.86 . . 1 . . . . 73 ILE CB . 15761 1 653 . 1 1 65 65 ILE CD1 C 13 12.99 . . 1 . . . . 73 ILE CD1 . 15761 1 654 . 1 1 65 65 ILE CG1 C 13 26.97 . . 1 . . . . 73 ILE CG1 . 15761 1 655 . 1 1 65 65 ILE CG2 C 13 17.4 . . 1 . . . . 73 ILE CG2 . 15761 1 656 . 1 1 65 65 ILE N N 15 121.87 . . 1 . . . . 73 ILE N . 15761 1 657 . 1 1 66 66 ASN H H 1 8.01 . . 1 . . . . 74 ASN H . 15761 1 658 . 1 1 66 66 ASN CA C 13 54.89 . . 1 . . . . 74 ASN CA . 15761 1 659 . 1 1 66 66 ASN CB C 13 40.63 . . 1 . . . . 74 ASN CB . 15761 1 660 . 1 1 66 66 ASN N N 15 127.77 . . 1 . . . . 74 ASN N . 15761 1 stop_ save_