data_15087 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15087 _Entry.Title ; SOLUTION STRUCTURE OF THE PABC DOMAIN FROM TRITICUM AEVESTIUM POLY(A)-BINDING PROTEIN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-28 _Entry.Accession_date 2006-12-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Nadeem Siddiqui N. . . 15087 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Alpha helical protein' 'Alpha helical protein' 15087 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15087 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 78 15087 '1H chemical shifts' 393 15087 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 . . 2008-07-17 2006-12-28 update BMRB 'complete entry citation' 15087 1 . . 2007-03-05 2006-12-28 original author 'original release' 15087 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15087 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17358048 _Citation.Full_citation . _Citation.Title ; Solution structure of the PABC domain from wheat poly (A)-binding protein: an insight into RNA metabolic and translational control in plants. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 46 _Citation.Journal_issue 14 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 4221 _Citation.Page_last 4231 _Citation.Year 2007 _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 Nadeem Siddiqui . . . 15087 1 2 Michael Osborne . J. . 15087 1 3 Daniel Gallie . R. . 15087 1 4 Kalle Gehring . . . 15087 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15087 _Assembly.ID 1 _Assembly.Name 'PABC monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _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 PABC 1 $Poly(A)-binding_protein A . yes native no no . . . 15087 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Poly(A)-binding_protein _Entity.Sf_category entity _Entity.Sf_framecode Poly(A)-binding_protein _Entity.Entry_ID 15087 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Poly(A)-binding_protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSPIGALASALANSPPE TQRMMLGENLYPLVDQLEHD QAAKVTGMLLEMDQTEVLHL LESPDALKAKVAEAMEVLRS AQQHT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq wPABC _Entity.Polymer_author_seq_details 'This is the C-terminal segment from wheat PABP.' _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 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'PABC domain' _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 2DYD . "Solution Structure Of The Pabc Domain From Triticum Aevestium Poly(A)-Binding Protein" . . . . . 100.00 85 100.00 100.00 9.84e-52 . . . . 15087 1 2 no DBJ BAJ96406 . "predicted protein [Hordeum vulgare subsp. vulgare]" . . . . . 94.12 744 98.75 98.75 1.03e-43 . . . . 15087 1 3 no GB AAB38974 . "poly(A)-binding protein [Triticum aestivum]" . . . . . 94.12 651 100.00 100.00 3.03e-44 . . . . 15087 1 4 no GB EMS55649 . "Polyadenylate-binding protein 2 [Triticum urartu]" . . . . . 94.12 625 100.00 100.00 3.30e-44 . . . . 15087 1 5 no GB EMT14398 . "Polyadenylate-binding protein 2 [Aegilops tauschii]" . . . . . 94.12 573 100.00 100.00 3.21e-44 . . . . 15087 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'peptide binding domain' 15087 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Poly(A)-binding protein' RCSB_NAME 15087 1 RNA-binding SWS-KEYWORD 15087 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 . GLY . 15087 1 2 . PRO . 15087 1 3 . LEU . 15087 1 4 . GLY . 15087 1 5 . SER . 15087 1 6 . PRO . 15087 1 7 . ILE . 15087 1 8 . GLY . 15087 1 9 . ALA . 15087 1 10 . LEU . 15087 1 11 . ALA . 15087 1 12 . SER . 15087 1 13 . ALA . 15087 1 14 . LEU . 15087 1 15 . ALA . 15087 1 16 . ASN . 15087 1 17 . SER . 15087 1 18 . PRO . 15087 1 19 . PRO . 15087 1 20 . GLU . 15087 1 21 . THR . 15087 1 22 . GLN . 15087 1 23 . ARG . 15087 1 24 . MET . 15087 1 25 . MET . 15087 1 26 . LEU . 15087 1 27 . GLY . 15087 1 28 . GLU . 15087 1 29 . ASN . 15087 1 30 . LEU . 15087 1 31 . TYR . 15087 1 32 . PRO . 15087 1 33 . LEU . 15087 1 34 . VAL . 15087 1 35 . ASP . 15087 1 36 . GLN . 15087 1 37 . LEU . 15087 1 38 . GLU . 15087 1 39 . HIS . 15087 1 40 . ASP . 15087 1 41 . GLN . 15087 1 42 . ALA . 15087 1 43 . ALA . 15087 1 44 . LYS . 15087 1 45 . VAL . 15087 1 46 . THR . 15087 1 47 . GLY . 15087 1 48 . MET . 15087 1 49 . LEU . 15087 1 50 . LEU . 15087 1 51 . GLU . 15087 1 52 . MET . 15087 1 53 . ASP . 15087 1 54 . GLN . 15087 1 55 . THR . 15087 1 56 . GLU . 15087 1 57 . VAL . 15087 1 58 . LEU . 15087 1 59 . HIS . 15087 1 60 . LEU . 15087 1 61 . LEU . 15087 1 62 . GLU . 15087 1 63 . SER . 15087 1 64 . PRO . 15087 1 65 . ASP . 15087 1 66 . ALA . 15087 1 67 . LEU . 15087 1 68 . LYS . 15087 1 69 . ALA . 15087 1 70 . LYS . 15087 1 71 . VAL . 15087 1 72 . ALA . 15087 1 73 . GLU . 15087 1 74 . ALA . 15087 1 75 . MET . 15087 1 76 . GLU . 15087 1 77 . VAL . 15087 1 78 . LEU . 15087 1 79 . ARG . 15087 1 80 . SER . 15087 1 81 . ALA . 15087 1 82 . GLN . 15087 1 83 . GLN . 15087 1 84 . HIS . 15087 1 85 . THR . 15087 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15087 1 . PRO 2 2 15087 1 . LEU 3 3 15087 1 . GLY 4 4 15087 1 . SER 5 5 15087 1 . PRO 6 6 15087 1 . ILE 7 7 15087 1 . GLY 8 8 15087 1 . ALA 9 9 15087 1 . LEU 10 10 15087 1 . ALA 11 11 15087 1 . SER 12 12 15087 1 . ALA 13 13 15087 1 . LEU 14 14 15087 1 . ALA 15 15 15087 1 . ASN 16 16 15087 1 . SER 17 17 15087 1 . PRO 18 18 15087 1 . PRO 19 19 15087 1 . GLU 20 20 15087 1 . THR 21 21 15087 1 . GLN 22 22 15087 1 . ARG 23 23 15087 1 . MET 24 24 15087 1 . MET 25 25 15087 1 . LEU 26 26 15087 1 . GLY 27 27 15087 1 . GLU 28 28 15087 1 . ASN 29 29 15087 1 . LEU 30 30 15087 1 . TYR 31 31 15087 1 . PRO 32 32 15087 1 . LEU 33 33 15087 1 . VAL 34 34 15087 1 . ASP 35 35 15087 1 . GLN 36 36 15087 1 . LEU 37 37 15087 1 . GLU 38 38 15087 1 . HIS 39 39 15087 1 . ASP 40 40 15087 1 . GLN 41 41 15087 1 . ALA 42 42 15087 1 . ALA 43 43 15087 1 . LYS 44 44 15087 1 . VAL 45 45 15087 1 . THR 46 46 15087 1 . GLY 47 47 15087 1 . MET 48 48 15087 1 . LEU 49 49 15087 1 . LEU 50 50 15087 1 . GLU 51 51 15087 1 . MET 52 52 15087 1 . ASP 53 53 15087 1 . GLN 54 54 15087 1 . THR 55 55 15087 1 . GLU 56 56 15087 1 . VAL 57 57 15087 1 . LEU 58 58 15087 1 . HIS 59 59 15087 1 . LEU 60 60 15087 1 . LEU 61 61 15087 1 . GLU 62 62 15087 1 . SER 63 63 15087 1 . PRO 64 64 15087 1 . ASP 65 65 15087 1 . ALA 66 66 15087 1 . LEU 67 67 15087 1 . LYS 68 68 15087 1 . ALA 69 69 15087 1 . LYS 70 70 15087 1 . VAL 71 71 15087 1 . ALA 72 72 15087 1 . GLU 73 73 15087 1 . ALA 74 74 15087 1 . MET 75 75 15087 1 . GLU 76 76 15087 1 . VAL 77 77 15087 1 . LEU 78 78 15087 1 . ARG 79 79 15087 1 . SER 80 80 15087 1 . ALA 81 81 15087 1 . GLN 82 82 15087 1 . GLN 83 83 15087 1 . HIS 84 84 15087 1 . THR 85 85 15087 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 15087 _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 $Poly(A)-binding_protein . 4565 organism . 'Triticum aestivum' Wheat . . Eukaryota Viridiplantae Triticum aestivum . . . . . . . . . . . . . . . . PABP . . . . 15087 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 15087 _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 $Poly(A)-binding_protein . 'recombinant technology' 'Escherichia coli' bacteria . . . . 'BL21 Gold' . . . . . . . . . . . . Plasmid . . pGEX-6P1 . . . . . . 15087 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15087 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1-2mM protein, 15N labeled, 50mM phosphate buffer, 150mM NaCl, 1mM NaN3; 90% H2O, 10% D2O' _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 'PABP; Sodium phosphate, Sodium Chloride, Sodium Azide' [U-15N] . . 1 $Poly(A)-binding_protein . . . 1 2 mM . . . . 15087 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 15087 1 3 NaCl . . . . . . . 150 . . mM . . . . 15087 1 4 NaN3 . . . . . . . 1 . . mM . . . . 15087 1 5 H2O . . . . . . . 90 . . % . . . . 15087 1 6 D2O . . . . . . . 10 . . % . . . . 15087 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15087 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1-2mM protein, 15N/13C labeled, 50mM phosphate buffer, 150mM NaCl, 1mM NaN3; 90% H2O, 10% D2O' _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 'PABP; Sodium phosphate, Sodium Chloride, Sodium Azide' '[U-100% 13C; U-100% 15N]' . . 1 $Poly(A)-binding_protein . . . 1 2 mM . . . . 15087 2 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 15087 2 3 NaCl . . . . . . . 150 . . mM . . . . 15087 2 4 NaN3 . . . . . . . 1 . . mM . . . . 15087 2 5 H2O . . . . . . . 90 . . % . . . . 15087 2 6 D2O . . . . . . . 10 . . % . . . . 15087 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15087 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1-2mM protein, 50mM phosphate buffer, 150mM NaCl, 1mM NaN3; 90% H2O, 10% D2O' _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 'PABP; Sodium phosphate, Sodium Chloride, Sodium Azide' none . . 1 $Poly(A)-binding_protein . . . 1 2 mM . . . . 15087 3 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 15087 3 3 NaCl . . . . . . . 150 . . mM . . . . 15087 3 4 NaN3 . . . . . . . 1 . . mM . . . . 15087 3 5 H2O . . . . . . . 90 . . % . . . . 15087 3 6 D2O . . . . . . . 10 . . % . . . . 15087 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15087 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1-2mM protein, 50mM phosphate buffer, 150mM NaCl, 1mM; 100% D2O' _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 'Poly(A)-binding protein' '[U-100% 13C; U-100% 15N]' . . . . . . . 1 2 mM . . . . 15087 4 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 15087 4 3 NaCl . . . . . . . 150 . . mM . . . . 15087 4 4 NaN3 . . . . . . . 1 . . mM . . . . 15087 4 5 D2O . . . . . . . 100 . . % . . . . 15087 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 15087 _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' 200 . mM 15087 1 pH 6.3 . pH 15087 1 pressure 1 . atm 15087 1 temperature 303 . K 15087 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15087 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'A Brunger, P Adams, M Clore, P Gros, M Nilges and R Read' . . 15087 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15087 1 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 15087 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_800 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 800 _NMR_spectrometer_list.Entry_ID 15087 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian UNITY . 800 . . . 15087 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 15087 _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 NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15087 1 2 '2D TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15087 1 3 '2D NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15087 1 4 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15087 1 5 HNCACB no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15087 1 6 CBCACONH no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15087 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 15087 _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 H 1 TMS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . 1 $citations . . 1 $citations 15087 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0.00 external direct 1.0 . . . 1 $citations . . 1 $citations 15087 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 15087 _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 NOESY' . . . 15087 1 2 '2D TOCSY' . . . 15087 1 4 3D_15N-separated_NOESY . . . 15087 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.480 0.000 . . . . . . 2 PRO HA . 15087 1 2 . 1 1 2 2 PRO HB2 H 1 2.417 0.000 . . . . . . 2 PRO HB2 . 15087 1 3 . 1 1 2 2 PRO HG2 H 1 2.045 0.000 . . . . . . 2 PRO HG2 . 15087 1 4 . 1 1 3 3 LEU H H 1 8.460 0.007 . . . . . . 3 LEU HN . 15087 1 5 . 1 1 3 3 LEU HA H 1 4.384 0.000 . . . . . . 3 LEU HA . 15087 1 6 . 1 1 3 3 LEU HB2 H 1 1.730 0.000 . . . . . . 3 LEU HB2 . 15087 1 7 . 1 1 3 3 LEU HB3 H 1 1.660 0.000 . . . . . . 3 LEU HB3 . 15087 1 8 . 1 1 3 3 LEU HG H 1 0.939 0.000 . . . . . . 3 LEU HG . 15087 1 9 . 1 1 3 3 LEU N N 15 121.667 0.048 . . . . . . 3 LEU N . 15087 1 10 . 1 1 4 4 GLY H H 1 8.372 0.004 . . . . . . 4 GLY HN . 15087 1 11 . 1 1 4 4 GLY HA2 H 1 3.976 0.000 . . . . . . 4 GLY HA1 . 15087 1 12 . 1 1 4 4 GLY N N 15 109.498 0.000 . . . . . . 4 GLY N . 15087 1 13 . 1 1 5 5 SER H H 1 8.117 0.009 . . . . . . 5 SER HN . 15087 1 14 . 1 1 5 5 SER HA H 1 4.764 0.000 . . . . . . 5 SER HA . 15087 1 15 . 1 1 5 5 SER HB2 H 1 3.958 0.000 . . . . . . 5 SER HB2 . 15087 1 16 . 1 1 5 5 SER N N 15 116.341 0.009 . . . . . . 5 SER N . 15087 1 17 . 1 1 6 6 PRO HA H 1 4.540 0.000 . . . . . . 6 PRO HA . 15087 1 18 . 1 1 6 6 PRO HB2 H 1 2.440 0.000 . . . . . . 6 PRO HB2 . 15087 1 19 . 1 1 6 6 PRO HG2 H 1 2.059 0.000 . . . . . . 6 PRO HG2 . 15087 1 20 . 1 1 6 6 PRO HD2 H 1 3.707 0.000 . . . . . . 6 PRO HD2 . 15087 1 21 . 1 1 7 7 ILE H H 1 8.156 0.010 . . . . . . 7 ILE HN . 15087 1 22 . 1 1 7 7 ILE HA H 1 4.146 0.000 . . . . . . 7 ILE HA . 15087 1 23 . 1 1 7 7 ILE HB H 1 2.022 0.000 . . . . . . 7 ILE HB . 15087 1 24 . 1 1 7 7 ILE HG12 H 1 1.460 0.000 . . . . . . 7 ILE HG12 . 15087 1 25 . 1 1 7 7 ILE HG13 H 1 1.366 0.000 . . . . . . 7 ILE HG13 . 15087 1 26 . 1 1 7 7 ILE HG21 H 1 0.960 0.000 . . . . . . 7 ILE HG21 . 15087 1 27 . 1 1 7 7 ILE HG22 H 1 0.960 0.000 . . . . . . 7 ILE HG21 . 15087 1 28 . 1 1 7 7 ILE HG23 H 1 0.960 0.000 . . . . . . 7 ILE HG21 . 15087 1 29 . 1 1 7 7 ILE N N 15 118.992 0.030 . . . . . . 7 ILE N . 15087 1 30 . 1 1 8 8 GLY H H 1 8.243 0.015 . . . . . . 8 GLY HN . 15087 1 31 . 1 1 8 8 GLY HA2 H 1 3.930 0.000 . . . . . . 8 GLY HA1 . 15087 1 32 . 1 1 8 8 GLY N N 15 110.623 0.000 . . . . . . 8 GLY N . 15087 1 33 . 1 1 9 9 ALA H H 1 8.005 0.002 . . . . . . 9 ALA HN . 15087 1 34 . 1 1 9 9 ALA HA H 1 4.250 0.000 . . . . . . 9 ALA HA . 15087 1 35 . 1 1 9 9 ALA HB1 H 1 1.480 0.000 . . . . . . 9 ALA HB1 . 15087 1 36 . 1 1 9 9 ALA HB2 H 1 1.480 0.000 . . . . . . 9 ALA HB1 . 15087 1 37 . 1 1 9 9 ALA HB3 H 1 1.480 0.000 . . . . . . 9 ALA HB1 . 15087 1 38 . 1 1 9 9 ALA N N 15 123.420 0.034 . . . . . . 9 ALA N . 15087 1 39 . 1 1 10 10 LEU H H 1 7.873 0.003 . . . . . . 10 LEU HN . 15087 1 40 . 1 1 10 10 LEU HA H 1 4.199 0.000 . . . . . . 10 LEU HA . 15087 1 41 . 1 1 10 10 LEU HB2 H 1 1.765 0.000 . . . . . . 10 LEU HB2 . 15087 1 42 . 1 1 10 10 LEU HB3 H 1 1.503 0.000 . . . . . . 10 LEU HB3 . 15087 1 43 . 1 1 10 10 LEU HD11 H 1 0.857 0.000 . . . . . . 10 LEU HD11 . 15087 1 44 . 1 1 10 10 LEU HD12 H 1 0.857 0.000 . . . . . . 10 LEU HD11 . 15087 1 45 . 1 1 10 10 LEU HD13 H 1 0.857 0.000 . . . . . . 10 LEU HD11 . 15087 1 46 . 1 1 10 10 LEU N N 15 121.172 0.040 . . . . . . 10 LEU N . 15087 1 47 . 1 1 11 11 ALA H H 1 8.482 0.003 . . . . . . 11 ALA HN . 15087 1 48 . 1 1 11 11 ALA HA H 1 3.954 0.000 . . . . . . 11 ALA HA . 15087 1 49 . 1 1 11 11 ALA HB1 H 1 1.492 0.000 . . . . . . 11 ALA HB1 . 15087 1 50 . 1 1 11 11 ALA HB2 H 1 1.492 0.000 . . . . . . 11 ALA HB1 . 15087 1 51 . 1 1 11 11 ALA HB3 H 1 1.492 0.000 . . . . . . 11 ALA HB1 . 15087 1 52 . 1 1 11 11 ALA N N 15 120.071 0.029 . . . . . . 11 ALA N . 15087 1 53 . 1 1 12 12 SER H H 1 7.883 0.006 . . . . . . 12 SER HN . 15087 1 54 . 1 1 12 12 SER HA H 1 4.250 0.000 . . . . . . 12 SER HA . 15087 1 55 . 1 1 12 12 SER HB2 H 1 3.937 0.000 . . . . . . 12 SER HB2 . 15087 1 56 . 1 1 12 12 SER N N 15 112.843 0.026 . . . . . . 12 SER N . 15087 1 57 . 1 1 13 13 ALA H H 1 7.779 0.010 . . . . . . 13 ALA HN . 15087 1 58 . 1 1 13 13 ALA HA H 1 4.219 0.000 . . . . . . 13 ALA HA . 15087 1 59 . 1 1 13 13 ALA HB1 H 1 1.512 0.000 . . . . . . 13 ALA HB1 . 15087 1 60 . 1 1 13 13 ALA HB2 H 1 1.512 0.000 . . . . . . 13 ALA HB1 . 15087 1 61 . 1 1 13 13 ALA HB3 H 1 1.512 0.000 . . . . . . 13 ALA HB1 . 15087 1 62 . 1 1 13 13 ALA N N 15 123.837 0.001 . . . . . . 13 ALA N . 15087 1 63 . 1 1 14 14 LEU H H 1 8.449 0.003 . . . . . . 14 LEU HN . 15087 1 64 . 1 1 14 14 LEU HA H 1 3.958 0.000 . . . . . . 14 LEU HA . 15087 1 65 . 1 1 14 14 LEU HB2 H 1 1.928 0.000 . . . . . . 14 LEU HB2 . 15087 1 66 . 1 1 14 14 LEU HG H 1 1.522 0.000 . . . . . . 14 LEU HG . 15087 1 67 . 1 1 14 14 LEU HD11 H 1 0.887 0.000 . . . . . . 14 LEU HD11 . 15087 1 68 . 1 1 14 14 LEU HD12 H 1 0.887 0.000 . . . . . . 14 LEU HD11 . 15087 1 69 . 1 1 14 14 LEU HD13 H 1 0.887 0.000 . . . . . . 14 LEU HD11 . 15087 1 70 . 1 1 14 14 LEU N N 15 118.717 0.000 . . . . . . 14 LEU N . 15087 1 71 . 1 1 15 15 ALA H H 1 7.350 0.003 . . . . . . 15 ALA HN . 15087 1 72 . 1 1 15 15 ALA HA H 1 4.146 0.000 . . . . . . 15 ALA HA . 15087 1 73 . 1 1 15 15 ALA HB1 H 1 1.512 0.000 . . . . . . 15 ALA HB2 . 15087 1 74 . 1 1 15 15 ALA HB2 H 1 1.512 0.000 . . . . . . 15 ALA HB2 . 15087 1 75 . 1 1 15 15 ALA HB3 H 1 1.512 0.000 . . . . . . 15 ALA HB2 . 15087 1 76 . 1 1 15 15 ALA N N 15 118.554 0.004 . . . . . . 15 ALA N . 15087 1 77 . 1 1 16 16 ASN H H 1 7.606 0.013 . . . . . . 16 ASN HN . 15087 1 78 . 1 1 16 16 ASN HA H 1 4.781 0.000 . . . . . . 16 ASN HA . 15087 1 79 . 1 1 16 16 ASN HB2 H 1 3.021 0.000 . . . . . . 16 ASN HB2 . 15087 1 80 . 1 1 16 16 ASN HB3 H 1 2.719 0.000 . . . . . . 16 ASN HB3 . 15087 1 81 . 1 1 16 16 ASN N N 15 113.942 0.028 . . . . . . 16 ASN N . 15087 1 82 . 1 1 17 17 SER H H 1 7.572 0.005 . . . . . . 17 SER HN . 15087 1 83 . 1 1 17 17 SER HA H 1 4.864 0.000 . . . . . . 17 SER HA . 15087 1 84 . 1 1 17 17 SER HB2 H 1 3.802 0.000 . . . . . . 17 SER HB2 . 15087 1 85 . 1 1 17 17 SER N N 15 116.214 0.042 . . . . . . 17 SER N . 15087 1 86 . 1 1 19 19 PRO HA H 1 4.300 0.000 . . . . . . 19 PRO HA . 15087 1 87 . 1 1 19 19 PRO HB2 H 1 2.460 0.000 . . . . . . 19 PRO HB2 . 15087 1 88 . 1 1 19 19 PRO HG2 H 1 2.037 0.000 . . . . . . 19 PRO HG2 . 15087 1 89 . 1 1 20 20 GLU H H 1 9.629 0.012 . . . . . . 20 GLU HN . 15087 1 90 . 1 1 20 20 GLU HA H 1 4.183 0.000 . . . . . . 20 GLU HA . 15087 1 91 . 1 1 20 20 GLU HB2 H 1 2.113 0.000 . . . . . . 20 GLU HB2 . 15087 1 92 . 1 1 20 20 GLU HG2 H 1 2.427 0.000 . . . . . . 20 GLU HG2 . 15087 1 93 . 1 1 20 20 GLU N N 15 117.368 0.000 . . . . . . 20 GLU N . 15087 1 94 . 1 1 21 21 THR H H 1 7.345 0.006 . . . . . . 21 THR HN . 15087 1 95 . 1 1 21 21 THR HA H 1 4.199 0.000 . . . . . . 21 THR HA . 15087 1 96 . 1 1 21 21 THR HB H 1 4.776 0.000 . . . . . . 21 THR HB . 15087 1 97 . 1 1 21 21 THR HG21 H 1 1.377 0.000 . . . . . . 21 THR HG21 . 15087 1 98 . 1 1 21 21 THR HG22 H 1 1.377 0.000 . . . . . . 21 THR HG21 . 15087 1 99 . 1 1 21 21 THR HG23 H 1 1.377 0.000 . . . . . . 21 THR HG21 . 15087 1 100 . 1 1 21 21 THR N N 15 116.987 0.040 . . . . . . 21 THR N . 15087 1 101 . 1 1 22 22 GLN H H 1 8.211 0.000 . . . . . . 22 GLN HN . 15087 1 102 . 1 1 22 22 GLN HA H 1 3.885 0.000 . . . . . . 22 GLN HA . 15087 1 103 . 1 1 22 22 GLN HB2 H 1 2.539 0.000 . . . . . . 22 GLN HB2 . 15087 1 104 . 1 1 22 22 GLN HB3 H 1 2.316 0.000 . . . . . . 22 GLN HB3 . 15087 1 105 . 1 1 22 22 GLN N N 15 121.178 0.023 . . . . . . 22 GLN N . 15087 1 106 . 1 1 23 23 ARG H H 1 7.883 0.005 . . . . . . 23 ARG HN . 15087 1 107 . 1 1 23 23 ARG HA H 1 3.969 0.000 . . . . . . 23 ARG HA . 15087 1 108 . 1 1 23 23 ARG HB2 H 1 1.966 0.000 . . . . . . 23 ARG HB2 . 15087 1 109 . 1 1 23 23 ARG HG2 H 1 1.824 0.000 . . . . . . 23 ARG HG2 . 15087 1 110 . 1 1 23 23 ARG HD2 H 1 3.240 0.000 . . . . . . 23 ARG HD2 . 15087 1 111 . 1 1 23 23 ARG N N 15 116.767 0.044 . . . . . . 23 ARG N . 15087 1 112 . 1 1 24 24 MET H H 1 7.504 0.003 . . . . . . 24 MET HN . 15087 1 113 . 1 1 24 24 MET HA H 1 4.198 0.000 . . . . . . 24 MET HA . 15087 1 114 . 1 1 24 24 MET HB2 H 1 2.730 0.000 . . . . . . 24 MET HB2 . 15087 1 115 . 1 1 24 24 MET HB3 H 1 2.282 0.000 . . . . . . 24 MET HB3 . 15087 1 116 . 1 1 24 24 MET HG2 H 1 2.594 0.000 . . . . . . 24 MET HG2 . 15087 1 117 . 1 1 24 24 MET N N 15 118.532 0.038 . . . . . . 24 MET N . 15087 1 118 . 1 1 25 25 MET H H 1 8.369 0.004 . . . . . . 25 MET HN . 15087 1 119 . 1 1 25 25 MET HA H 1 4.187 0.000 . . . . . . 25 MET HA . 15087 1 120 . 1 1 25 25 MET HB2 H 1 2.251 0.000 . . . . . . 25 MET HB2 . 15087 1 121 . 1 1 25 25 MET HG2 H 1 2.730 0.000 . . . . . . 25 MET HG2 . 15087 1 122 . 1 1 25 25 MET N N 15 119.181 0.018 . . . . . . 25 MET N . 15087 1 123 . 1 1 26 26 LEU H H 1 8.473 0.010 . . . . . . 26 LEU HN . 15087 1 124 . 1 1 26 26 LEU HA H 1 3.966 0.000 . . . . . . 26 LEU HA . 15087 1 125 . 1 1 26 26 LEU HB2 H 1 1.504 0.000 . . . . . . 26 LEU HB2 . 15087 1 126 . 1 1 26 26 LEU HD11 H 1 0.953 0.000 . . . . . . 26 LEU HD11 . 15087 1 127 . 1 1 26 26 LEU HD12 H 1 0.953 0.000 . . . . . . 26 LEU HD11 . 15087 1 128 . 1 1 26 26 LEU HD13 H 1 0.953 0.000 . . . . . . 26 LEU HD11 . 15087 1 129 . 1 1 26 26 LEU N N 15 119.841 0.000 . . . . . . 26 LEU N . 15087 1 130 . 1 1 27 27 GLY H H 1 8.569 0.009 . . . . . . 27 GLY HN . 15087 1 131 . 1 1 27 27 GLY HA2 H 1 4.020 0.000 . . . . . . 27 GLY HA1 . 15087 1 132 . 1 1 27 27 GLY HA3 H 1 3.664 0.000 . . . . . . 27 GLY HA2 . 15087 1 133 . 1 1 27 27 GLY N N 15 107.539 0.000 . . . . . . 27 GLY N . 15087 1 134 . 1 1 28 28 GLU H H 1 8.151 0.001 . . . . . . 28 GLU HN . 15087 1 135 . 1 1 28 28 GLU HA H 1 4.146 0.000 . . . . . . 28 GLU HA . 15087 1 136 . 1 1 28 28 GLU HB2 H 1 2.208 0.000 . . . . . . 28 GLU HB2 . 15087 1 137 . 1 1 28 28 GLU HB3 H 1 2.084 0.000 . . . . . . 28 GLU HB3 . 15087 1 138 . 1 1 28 28 GLU HG2 H 1 2.428 0.000 . . . . . . 28 GLU HG2 . 15087 1 139 . 1 1 28 28 GLU N N 15 119.653 0.024 . . . . . . 28 GLU N . 15087 1 140 . 1 1 29 29 ASN H H 1 7.331 0.006 . . . . . . 29 ASN HN . 15087 1 141 . 1 1 29 29 ASN HA H 1 4.645 0.000 . . . . . . 29 ASN HA . 15087 1 142 . 1 1 29 29 ASN HB2 H 1 2.646 0.000 . . . . . . 29 ASN HB2 . 15087 1 143 . 1 1 29 29 ASN N N 15 114.857 0.052 . . . . . . 29 ASN N . 15087 1 144 . 1 1 30 30 LEU H H 1 8.485 0.011 . . . . . . 30 LEU HN . 15087 1 145 . 1 1 30 30 LEU HA H 1 4.184 0.000 . . . . . . 30 LEU HA . 15087 1 146 . 1 1 30 30 LEU HB2 H 1 1.504 0.000 . . . . . . 30 LEU HB2 . 15087 1 147 . 1 1 30 30 LEU HD11 H 1 0.860 0.000 . . . . . . 30 LEU HD11 . 15087 1 148 . 1 1 30 30 LEU HD12 H 1 0.860 0.000 . . . . . . 30 LEU HD11 . 15087 1 149 . 1 1 30 30 LEU HD13 H 1 0.860 0.000 . . . . . . 30 LEU HD11 . 15087 1 150 . 1 1 30 30 LEU N N 15 119.841 0.000 . . . . . . 30 LEU N . 15087 1 151 . 1 1 31 31 TYR H H 1 8.514 0.009 . . . . . . 31 TYR HN . 15087 1 152 . 1 1 31 31 TYR HA H 1 4.365 0.000 . . . . . . 31 TYR HA . 15087 1 153 . 1 1 31 31 TYR HB2 H 1 3.181 0.000 . . . . . . 31 TYR HB2 . 15087 1 154 . 1 1 31 31 TYR HB3 H 1 2.744 0.000 . . . . . . 31 TYR HB3 . 15087 1 155 . 1 1 31 31 TYR N N 15 118.267 0.000 . . . . . . 31 TYR N . 15087 1 156 . 1 1 33 33 LEU H H 1 6.827 0.007 . . . . . . 33 LEU HN . 15087 1 157 . 1 1 33 33 LEU HA H 1 4.125 0.000 . . . . . . 33 LEU HA . 15087 1 158 . 1 1 33 33 LEU HB2 H 1 1.919 0.000 . . . . . . 33 LEU HB2 . 15087 1 159 . 1 1 33 33 LEU HB3 H 1 1.493 0.000 . . . . . . 33 LEU HB3 . 15087 1 160 . 1 1 33 33 LEU HD11 H 1 0.869 0.000 . . . . . . 33 LEU HD11 . 15087 1 161 . 1 1 33 33 LEU HD12 H 1 0.869 0.000 . . . . . . 33 LEU HD11 . 15087 1 162 . 1 1 33 33 LEU HD13 H 1 0.869 0.000 . . . . . . 33 LEU HD11 . 15087 1 163 . 1 1 33 33 LEU N N 15 115.043 0.033 . . . . . . 33 LEU N . 15087 1 164 . 1 1 34 34 VAL H H 1 7.841 0.002 . . . . . . 34 VAL HN . 15087 1 165 . 1 1 34 34 VAL HA H 1 3.362 0.013 . . . . . . 34 VAL HA . 15087 1 166 . 1 1 34 34 VAL HB H 1 1.959 0.000 . . . . . . 34 VAL HB . 15087 1 167 . 1 1 34 34 VAL HG11 H 1 0.887 0.000 . . . . . . 34 VAL HG11 . 15087 1 168 . 1 1 34 34 VAL HG12 H 1 0.887 0.000 . . . . . . 34 VAL HG11 . 15087 1 169 . 1 1 34 34 VAL HG13 H 1 0.887 0.000 . . . . . . 34 VAL HG11 . 15087 1 170 . 1 1 34 34 VAL N N 15 120.319 0.038 . . . . . . 34 VAL N . 15087 1 171 . 1 1 35 35 ASP H H 1 8.693 0.016 . . . . . . 35 ASP HN . 15087 1 172 . 1 1 35 35 ASP HA H 1 4.219 0.000 . . . . . . 35 ASP HA . 15087 1 173 . 1 1 35 35 ASP HB2 H 1 2.365 0.000 . . . . . . 35 ASP HB2 . 15087 1 174 . 1 1 35 35 ASP N N 15 118.909 0.047 . . . . . . 35 ASP N . 15087 1 175 . 1 1 36 36 GLN H H 1 8.476 0.005 . . . . . . 36 GLN HN . 15087 1 176 . 1 1 36 36 GLN HA H 1 4.002 0.000 . . . . . . 36 GLN HA . 15087 1 177 . 1 1 36 36 GLN HB2 H 1 2.001 0.000 . . . . . . 36 GLN HB2 . 15087 1 178 . 1 1 36 36 GLN HG2 H 1 2.661 0.000 . . . . . . 36 GLN HG2 . 15087 1 179 . 1 1 36 36 GLN HG3 H 1 2.557 0.000 . . . . . . 36 GLN HG3 . 15087 1 180 . 1 1 36 36 GLN N N 15 119.636 0.040 . . . . . . 36 GLN N . 15087 1 181 . 1 1 37 37 LEU H H 1 7.301 0.004 . . . . . . 37 LEU HN . 15087 1 182 . 1 1 37 37 LEU HA H 1 4.354 0.000 . . . . . . 37 LEU HA . 15087 1 183 . 1 1 37 37 LEU HB2 H 1 1.954 0.000 . . . . . . 37 LEU HB2 . 15087 1 184 . 1 1 37 37 LEU HB3 H 1 1.595 0.000 . . . . . . 37 LEU HB3 . 15087 1 185 . 1 1 37 37 LEU HG H 1 1.839 0.000 . . . . . . 37 LEU HG . 15087 1 186 . 1 1 37 37 LEU HD11 H 1 0.939 0.000 . . . . . . 37 LEU HD11 . 15087 1 187 . 1 1 37 37 LEU HD12 H 1 0.939 0.000 . . . . . . 37 LEU HD11 . 15087 1 188 . 1 1 37 37 LEU HD13 H 1 0.939 0.000 . . . . . . 37 LEU HD11 . 15087 1 189 . 1 1 37 37 LEU N N 15 118.266 0.001 . . . . . . 37 LEU N . 15087 1 190 . 1 1 38 38 GLU H H 1 8.472 0.011 . . . . . . 38 GLU HN . 15087 1 191 . 1 1 38 38 GLU HA H 1 4.364 0.000 . . . . . . 38 GLU HA . 15087 1 192 . 1 1 38 38 GLU HB3 H 1 1.641 0.051 . . . . . . 38 GLU HB3 . 15087 1 193 . 1 1 38 38 GLU HG2 H 1 2.344 0.000 . . . . . . 38 GLU HG2 . 15087 1 194 . 1 1 38 38 GLU HG3 H 1 1.938 0.000 . . . . . . 38 GLU HG3 . 15087 1 195 . 1 1 38 38 GLU N N 15 121.854 0.009 . . . . . . 38 GLU N . 15087 1 196 . 1 1 39 39 HIS H H 1 8.274 0.004 . . . . . . 39 HIS HN . 15087 1 197 . 1 1 39 39 HIS HA H 1 4.979 0.000 . . . . . . 39 HIS HA . 15087 1 198 . 1 1 39 39 HIS HB2 H 1 3.386 0.000 . . . . . . 39 HIS HB2 . 15087 1 199 . 1 1 39 39 HIS HB3 H 1 3.084 0.000 . . . . . . 39 HIS HB3 . 15087 1 200 . 1 1 39 39 HIS N N 15 121.652 0.021 . . . . . . 39 HIS N . 15087 1 201 . 1 1 40 40 ASP H H 1 8.536 0.002 . . . . . . 40 ASP HN . 15087 1 202 . 1 1 40 40 ASP HA H 1 4.171 0.000 . . . . . . 40 ASP HA . 15087 1 203 . 1 1 40 40 ASP HB2 H 1 2.727 0.000 . . . . . . 40 ASP HB2 . 15087 1 204 . 1 1 40 40 ASP N N 15 118.330 0.000 . . . . . . 40 ASP N . 15087 1 205 . 1 1 41 41 GLN H H 1 8.312 0.013 . . . . . . 41 GLN HN . 15087 1 206 . 1 1 41 41 GLN HA H 1 4.906 0.000 . . . . . . 41 GLN HA . 15087 1 207 . 1 1 41 41 GLN HB2 H 1 2.501 0.000 . . . . . . 41 GLN HB2 . 15087 1 208 . 1 1 41 41 GLN HB3 H 1 1.678 0.000 . . . . . . 41 GLN HB3 . 15087 1 209 . 1 1 41 41 GLN HG2 H 1 2.240 0.000 . . . . . . 41 GLN HG2 . 15087 1 210 . 1 1 41 41 GLN N N 15 114.820 0.026 . . . . . . 41 GLN N . 15087 1 211 . 1 1 42 42 ALA H H 1 7.154 0.006 . . . . . . 42 ALA HN . 15087 1 212 . 1 1 42 42 ALA HA H 1 3.740 0.000 . . . . . . 42 ALA HA . 15087 1 213 . 1 1 42 42 ALA HB1 H 1 1.418 0.000 . . . . . . 42 ALA HB1 . 15087 1 214 . 1 1 42 42 ALA HB2 H 1 1.418 0.000 . . . . . . 42 ALA HB1 . 15087 1 215 . 1 1 42 42 ALA HB3 H 1 1.418 0.000 . . . . . . 42 ALA HB1 . 15087 1 216 . 1 1 42 42 ALA N N 15 122.090 0.020 . . . . . . 42 ALA N . 15087 1 217 . 1 1 43 43 ALA H H 1 8.983 0.021 . . . . . . 43 ALA HN . 15087 1 218 . 1 1 43 43 ALA HA H 1 4.239 0.000 . . . . . . 43 ALA HA . 15087 1 219 . 1 1 43 43 ALA HB1 H 1 1.605 0.000 . . . . . . 43 ALA HB1 . 15087 1 220 . 1 1 43 43 ALA HB2 H 1 1.605 0.000 . . . . . . 43 ALA HB1 . 15087 1 221 . 1 1 43 43 ALA HB3 H 1 1.605 0.000 . . . . . . 43 ALA HB1 . 15087 1 222 . 1 1 43 43 ALA N N 15 121.214 0.031 . . . . . . 43 ALA N . 15087 1 223 . 1 1 44 44 LYS H H 1 7.852 0.004 . . . . . . 44 LYS HN . 15087 1 224 . 1 1 44 44 LYS HA H 1 4.148 0.000 . . . . . . 44 LYS HA . 15087 1 225 . 1 1 44 44 LYS HB2 H 1 1.937 0.000 . . . . . . 44 LYS HB2 . 15087 1 226 . 1 1 44 44 LYS HG2 H 1 1.579 0.000 . . . . . . 44 LYS HG2 . 15087 1 227 . 1 1 44 44 LYS N N 15 120.049 0.034 . . . . . . 44 LYS N . 15087 1 228 . 1 1 45 45 VAL H H 1 8.592 0.002 . . . . . . 45 VAL HN . 15087 1 229 . 1 1 45 45 VAL HA H 1 3.656 0.000 . . . . . . 45 VAL HA . 15087 1 230 . 1 1 45 45 VAL HB H 1 1.928 0.000 . . . . . . 45 VAL HB . 15087 1 231 . 1 1 45 45 VAL HG11 H 1 0.979 0.002 . . . . . . 45 VAL HG11 . 15087 1 232 . 1 1 45 45 VAL HG12 H 1 0.979 0.002 . . . . . . 45 VAL HG11 . 15087 1 233 . 1 1 45 45 VAL HG13 H 1 0.979 0.002 . . . . . . 45 VAL HG11 . 15087 1 234 . 1 1 45 45 VAL N N 15 118.975 0.021 . . . . . . 45 VAL N . 15087 1 235 . 1 1 46 46 THR H H 1 8.441 0.003 . . . . . . 46 THR HN . 15087 1 236 . 1 1 46 46 THR HA H 1 3.625 0.000 . . . . . . 46 THR HA . 15087 1 237 . 1 1 46 46 THR HB H 1 4.354 0.000 . . . . . . 46 THR HB . 15087 1 238 . 1 1 46 46 THR HG21 H 1 1.307 0.007 . . . . . . 46 THR HG21 . 15087 1 239 . 1 1 46 46 THR HG22 H 1 1.307 0.007 . . . . . . 46 THR HG21 . 15087 1 240 . 1 1 46 46 THR HG23 H 1 1.307 0.007 . . . . . . 46 THR HG21 . 15087 1 241 . 1 1 46 46 THR N N 15 116.768 0.036 . . . . . . 46 THR N . 15087 1 242 . 1 1 47 47 GLY H H 1 7.727 0.003 . . . . . . 47 GLY HN . 15087 1 243 . 1 1 47 47 GLY HA2 H 1 3.957 0.000 . . . . . . 47 GLY HA1 . 15087 1 244 . 1 1 47 47 GLY HA3 H 1 3.737 0.000 . . . . . . 47 GLY HA2 . 15087 1 245 . 1 1 47 47 GLY N N 15 105.226 0.000 . . . . . . 47 GLY N . 15087 1 246 . 1 1 48 48 MET H H 1 7.642 0.001 . . . . . . 48 MET HN . 15087 1 247 . 1 1 48 48 MET HA H 1 4.083 0.000 . . . . . . 48 MET HA . 15087 1 248 . 1 1 48 48 MET HB2 H 1 2.272 0.000 . . . . . . 48 MET HB2 . 15087 1 249 . 1 1 48 48 MET HG2 H 1 2.751 0.000 . . . . . . 48 MET HG2 . 15087 1 250 . 1 1 48 48 MET HG3 H 1 2.563 0.000 . . . . . . 48 MET HG3 . 15087 1 251 . 1 1 48 48 MET N N 15 119.659 0.015 . . . . . . 48 MET N . 15087 1 252 . 1 1 49 49 LEU H H 1 8.229 0.006 . . . . . . 49 LEU HN . 15087 1 253 . 1 1 49 49 LEU HA H 1 4.054 0.000 . . . . . . 49 LEU HA . 15087 1 254 . 1 1 49 49 LEU HB2 H 1 2.019 0.018 . . . . . . 49 LEU HB2 . 15087 1 255 . 1 1 49 49 LEU HB3 H 1 1.303 0.000 . . . . . . 49 LEU HB3 . 15087 1 256 . 1 1 49 49 LEU HD11 H 1 0.777 0.004 . . . . . . 49 LEU HD11 . 15087 1 257 . 1 1 49 49 LEU HD12 H 1 0.777 0.004 . . . . . . 49 LEU HD11 . 15087 1 258 . 1 1 49 49 LEU HD13 H 1 0.777 0.004 . . . . . . 49 LEU HD11 . 15087 1 259 . 1 1 49 49 LEU N N 15 120.766 0.025 . . . . . . 49 LEU N . 15087 1 260 . 1 1 50 50 LEU H H 1 7.713 0.002 . . . . . . 50 LEU HN . 15087 1 261 . 1 1 50 50 LEU HA H 1 4.062 0.000 . . . . . . 50 LEU HA . 15087 1 262 . 1 1 50 50 LEU HB2 H 1 1.959 0.000 . . . . . . 50 LEU HB2 . 15087 1 263 . 1 1 50 50 LEU HG H 1 1.595 0.000 . . . . . . 50 LEU HG . 15087 1 264 . 1 1 50 50 LEU HD11 H 1 0.918 0.000 . . . . . . 50 LEU HD11 . 15087 1 265 . 1 1 50 50 LEU HD12 H 1 0.918 0.000 . . . . . . 50 LEU HD11 . 15087 1 266 . 1 1 50 50 LEU HD13 H 1 0.918 0.000 . . . . . . 50 LEU HD11 . 15087 1 267 . 1 1 50 50 LEU N N 15 114.589 0.004 . . . . . . 50 LEU N . 15087 1 268 . 1 1 51 51 GLU H H 1 7.135 0.002 . . . . . . 51 GLU HN . 15087 1 269 . 1 1 51 51 GLU HA H 1 4.260 0.000 . . . . . . 51 GLU HA . 15087 1 270 . 1 1 51 51 GLU HB2 H 1 2.032 0.000 . . . . . . 51 GLU HB2 . 15087 1 271 . 1 1 51 51 GLU HG2 H 1 2.605 0.000 . . . . . . 51 GLU HG2 . 15087 1 272 . 1 1 51 51 GLU HG3 H 1 2.292 0.000 . . . . . . 51 GLU HG3 . 15087 1 273 . 1 1 51 51 GLU N N 15 116.106 0.044 . . . . . . 51 GLU N . 15087 1 274 . 1 1 52 52 MET H H 1 7.441 0.002 . . . . . . 52 MET HN . 15087 1 275 . 1 1 52 52 MET HA H 1 4.291 0.000 . . . . . . 52 MET HA . 15087 1 276 . 1 1 52 52 MET HB2 H 1 2.272 0.000 . . . . . . 52 MET HB2 . 15087 1 277 . 1 1 52 52 MET HG2 H 1 2.844 0.000 . . . . . . 52 MET HG2 . 15087 1 278 . 1 1 52 52 MET HG3 H 1 2.574 0.000 . . . . . . 52 MET HG3 . 15087 1 279 . 1 1 52 52 MET N N 15 117.656 0.027 . . . . . . 52 MET N . 15087 1 280 . 1 1 53 53 ASP H H 1 8.470 0.012 . . . . . . 53 ASP HN . 15087 1 281 . 1 1 53 53 ASP HA H 1 4.458 0.000 . . . . . . 53 ASP HA . 15087 1 282 . 1 1 53 53 ASP HB2 H 1 2.771 0.000 . . . . . . 53 ASP HB2 . 15087 1 283 . 1 1 53 53 ASP HB3 H 1 2.636 0.000 . . . . . . 53 ASP HB3 . 15087 1 284 . 1 1 53 53 ASP N N 15 118.717 0.000 . . . . . . 53 ASP N . 15087 1 285 . 1 1 54 54 GLN H H 1 8.912 0.004 . . . . . . 54 GLN HN . 15087 1 286 . 1 1 54 54 GLN HA H 1 3.802 0.000 . . . . . . 54 GLN HA . 15087 1 287 . 1 1 54 54 GLN HB2 H 1 2.240 0.000 . . . . . . 54 GLN HB2 . 15087 1 288 . 1 1 54 54 GLN HB3 H 1 2.063 0.000 . . . . . . 54 GLN HB3 . 15087 1 289 . 1 1 54 54 GLN N N 15 123.379 0.030 . . . . . . 54 GLN N . 15087 1 290 . 1 1 55 55 THR H H 1 8.381 0.005 . . . . . . 55 THR HN . 15087 1 291 . 1 1 55 55 THR HA H 1 3.877 0.000 . . . . . . 55 THR HA . 15087 1 292 . 1 1 55 55 THR HB H 1 4.209 0.000 . . . . . . 55 THR HB . 15087 1 293 . 1 1 55 55 THR HG21 H 1 1.314 0.000 . . . . . . 55 THR HG21 . 15087 1 294 . 1 1 55 55 THR HG22 H 1 1.314 0.000 . . . . . . 55 THR HG21 . 15087 1 295 . 1 1 55 55 THR HG23 H 1 1.314 0.000 . . . . . . 55 THR HG21 . 15087 1 296 . 1 1 55 55 THR N N 15 111.961 0.029 . . . . . . 55 THR N . 15087 1 297 . 1 1 56 56 GLU H H 1 7.429 0.003 . . . . . . 56 GLU HN . 15087 1 298 . 1 1 56 56 GLU HA H 1 4.219 0.000 . . . . . . 56 GLU HA . 15087 1 299 . 1 1 56 56 GLU HB2 H 1 2.365 0.000 . . . . . . 56 GLU HB2 . 15087 1 300 . 1 1 56 56 GLU HB3 H 1 2.199 0.000 . . . . . . 56 GLU HB3 . 15087 1 301 . 1 1 56 56 GLU N N 15 121.643 0.015 . . . . . . 56 GLU N . 15087 1 302 . 1 1 57 57 VAL H H 1 7.978 0.013 . . . . . . 57 VAL HN . 15087 1 303 . 1 1 57 57 VAL HA H 1 3.448 0.000 . . . . . . 57 VAL HA . 15087 1 304 . 1 1 57 57 VAL HB H 1 2.147 0.000 . . . . . . 57 VAL HB . 15087 1 305 . 1 1 57 57 VAL HG11 H 1 1.016 0.000 . . . . . . 57 VAL HG11 . 15087 1 306 . 1 1 57 57 VAL HG12 H 1 1.016 0.000 . . . . . . 57 VAL HG11 . 15087 1 307 . 1 1 57 57 VAL HG13 H 1 1.016 0.000 . . . . . . 57 VAL HG11 . 15087 1 308 . 1 1 57 57 VAL N N 15 120.111 0.032 . . . . . . 57 VAL N . 15087 1 309 . 1 1 58 58 LEU H H 1 8.269 0.004 . . . . . . 58 LEU HN . 15087 1 310 . 1 1 58 58 LEU HA H 1 3.875 0.000 . . . . . . 58 LEU HA . 15087 1 311 . 1 1 58 58 LEU HB2 H 1 1.834 0.000 . . . . . . 58 LEU HB2 . 15087 1 312 . 1 1 58 58 LEU HB3 H 1 1.543 0.000 . . . . . . 58 LEU HB3 . 15087 1 313 . 1 1 58 58 LEU HD11 H 1 0.897 0.000 . . . . . . 58 LEU HD11 . 15087 1 314 . 1 1 58 58 LEU HD12 H 1 0.897 0.000 . . . . . . 58 LEU HD11 . 15087 1 315 . 1 1 58 58 LEU HD13 H 1 0.897 0.000 . . . . . . 58 LEU HD11 . 15087 1 316 . 1 1 58 58 LEU N N 15 118.075 0.045 . . . . . . 58 LEU N . 15087 1 317 . 1 1 59 59 HIS H H 1 7.396 0.002 . . . . . . 59 HIS HN . 15087 1 318 . 1 1 59 59 HIS HA H 1 4.593 0.000 . . . . . . 59 HIS HA . 15087 1 319 . 1 1 59 59 HIS HB2 H 1 3.511 0.000 . . . . . . 59 HIS HB2 . 15087 1 320 . 1 1 59 59 HIS HB3 H 1 3.318 0.000 . . . . . . 59 HIS HB3 . 15087 1 321 . 1 1 59 59 HIS N N 15 115.706 0.031 . . . . . . 59 HIS N . 15087 1 322 . 1 1 60 60 LEU H H 1 7.820 0.000 . . . . . . 60 LEU HN . 15087 1 323 . 1 1 60 60 LEU HA H 1 3.865 0.000 . . . . . . 60 LEU HA . 15087 1 324 . 1 1 60 60 LEU HB2 H 1 2.209 0.000 . . . . . . 60 LEU HB2 . 15087 1 325 . 1 1 60 60 LEU HB3 H 1 1.355 0.000 . . . . . . 60 LEU HB3 . 15087 1 326 . 1 1 60 60 LEU HD11 H 1 0.911 0.000 . . . . . . 60 LEU HD11 . 15087 1 327 . 1 1 60 60 LEU HD12 H 1 0.911 0.000 . . . . . . 60 LEU HD11 . 15087 1 328 . 1 1 60 60 LEU HD13 H 1 0.911 0.000 . . . . . . 60 LEU HD11 . 15087 1 329 . 1 1 60 60 LEU HD21 H 1 0.765 0.000 . . . . . . 60 LEU HD21 . 15087 1 330 . 1 1 60 60 LEU HD22 H 1 0.765 0.000 . . . . . . 60 LEU HD21 . 15087 1 331 . 1 1 60 60 LEU HD23 H 1 0.765 0.000 . . . . . . 60 LEU HD21 . 15087 1 332 . 1 1 60 60 LEU N N 15 117.600 0.000 . . . . . . 60 LEU N . 15087 1 333 . 1 1 61 61 LEU H H 1 7.416 0.006 . . . . . . 61 LEU HN . 15087 1 334 . 1 1 61 61 LEU HA H 1 3.885 0.000 . . . . . . 61 LEU HA . 15087 1 335 . 1 1 61 61 LEU HB2 H 1 2.147 0.000 . . . . . . 61 LEU HB2 . 15087 1 336 . 1 1 61 61 LEU HB3 H 1 1.439 0.000 . . . . . . 61 LEU HB3 . 15087 1 337 . 1 1 61 61 LEU HD11 H 1 0.869 0.000 . . . . . . 61 LEU HD11 . 15087 1 338 . 1 1 61 61 LEU HD12 H 1 0.869 0.000 . . . . . . 61 LEU HD11 . 15087 1 339 . 1 1 61 61 LEU HD13 H 1 0.869 0.000 . . . . . . 61 LEU HD11 . 15087 1 340 . 1 1 61 61 LEU N N 15 113.558 0.026 . . . . . . 61 LEU N . 15087 1 341 . 1 1 62 62 GLU H H 1 7.328 0.002 . . . . . . 62 GLU HN . 15087 1 342 . 1 1 62 62 GLU HA H 1 4.427 0.000 . . . . . . 62 GLU HA . 15087 1 343 . 1 1 62 62 GLU HB2 H 1 2.136 0.000 . . . . . . 62 GLU HB2 . 15087 1 344 . 1 1 62 62 GLU HG2 H 1 2.417 0.000 . . . . . . 62 GLU HG2 . 15087 1 345 . 1 1 62 62 GLU N N 15 115.551 0.031 . . . . . . 62 GLU N . 15087 1 346 . 1 1 63 63 SER H H 1 7.255 0.002 . . . . . . 63 SER HN . 15087 1 347 . 1 1 63 63 SER HA H 1 5.072 0.000 . . . . . . 63 SER HA . 15087 1 348 . 1 1 63 63 SER HB2 H 1 3.563 0.000 . . . . . . 63 SER HB2 . 15087 1 349 . 1 1 63 63 SER N N 15 113.558 0.019 . . . . . . 63 SER N . 15087 1 350 . 1 1 65 65 ASP H H 1 8.355 0.003 . . . . . . 65 ASP HN . 15087 1 351 . 1 1 65 65 ASP HA H 1 4.385 0.000 . . . . . . 65 ASP HA . 15087 1 352 . 1 1 65 65 ASP HB2 H 1 2.657 0.000 . . . . . . 65 ASP HB2 . 15087 1 353 . 1 1 65 65 ASP HB3 H 1 2.501 0.000 . . . . . . 65 ASP HB3 . 15087 1 354 . 1 1 65 65 ASP N N 15 116.117 0.019 . . . . . . 65 ASP N . 15087 1 355 . 1 1 66 66 ALA H H 1 7.739 0.005 . . . . . . 66 ALA HN . 15087 1 356 . 1 1 66 66 ALA HA H 1 4.271 0.000 . . . . . . 66 ALA HA . 15087 1 357 . 1 1 66 66 ALA HB1 H 1 1.470 0.000 . . . . . . 66 ALA HB1 . 15087 1 358 . 1 1 66 66 ALA HB2 H 1 1.470 0.000 . . . . . . 66 ALA HB1 . 15087 1 359 . 1 1 66 66 ALA HB3 H 1 1.470 0.000 . . . . . . 66 ALA HB1 . 15087 1 360 . 1 1 66 66 ALA N N 15 124.135 0.031 . . . . . . 66 ALA N . 15087 1 361 . 1 1 67 67 LEU H H 1 8.230 0.003 . . . . . . 67 LEU HN . 15087 1 362 . 1 1 67 67 LEU HA H 1 4.021 0.000 . . . . . . 67 LEU HA . 15087 1 363 . 1 1 67 67 LEU HB2 H 1 1.943 0.000 . . . . . . 67 LEU HB2 . 15087 1 364 . 1 1 67 67 LEU HG H 1 1.441 0.000 . . . . . . 67 LEU HG . 15087 1 365 . 1 1 67 67 LEU N N 15 119.207 0.006 . . . . . . 67 LEU N . 15087 1 366 . 1 1 68 68 LYS H H 1 8.310 0.003 . . . . . . 68 LYS HN . 15087 1 367 . 1 1 68 68 LYS HA H 1 3.824 0.000 . . . . . . 68 LYS HA . 15087 1 368 . 1 1 68 68 LYS HB2 H 1 1.976 0.000 . . . . . . 68 LYS HB2 . 15087 1 369 . 1 1 68 68 LYS HG2 H 1 1.624 0.000 . . . . . . 68 LYS HG2 . 15087 1 370 . 1 1 68 68 LYS HG3 H 1 1.489 0.000 . . . . . . 68 LYS HG3 . 15087 1 371 . 1 1 68 68 LYS N N 15 117.857 0.033 . . . . . . 68 LYS N . 15087 1 372 . 1 1 69 69 ALA H H 1 7.474 0.008 . . . . . . 69 ALA HN . 15087 1 373 . 1 1 69 69 ALA HA H 1 4.260 0.000 . . . . . . 69 ALA HA . 15087 1 374 . 1 1 69 69 ALA HB1 H 1 1.595 0.000 . . . . . . 69 ALA HB1 . 15087 1 375 . 1 1 69 69 ALA HB2 H 1 1.595 0.000 . . . . . . 69 ALA HB1 . 15087 1 376 . 1 1 69 69 ALA HB3 H 1 1.595 0.000 . . . . . . 69 ALA HB1 . 15087 1 377 . 1 1 69 69 ALA N N 15 119.887 0.021 . . . . . . 69 ALA N . 15087 1 378 . 1 1 70 70 LYS H H 1 8.037 0.002 . . . . . . 70 LYS HN . 15087 1 379 . 1 1 70 70 LYS HA H 1 4.260 0.000 . . . . . . 70 LYS HA . 15087 1 380 . 1 1 70 70 LYS HB2 H 1 2.043 0.000 . . . . . . 70 LYS HB2 . 15087 1 381 . 1 1 70 70 LYS HB3 H 1 1.824 0.000 . . . . . . 70 LYS HB3 . 15087 1 382 . 1 1 70 70 LYS HG2 H 1 1.638 0.000 . . . . . . 70 LYS HG2 . 15087 1 383 . 1 1 70 70 LYS HG3 H 1 1.510 0.000 . . . . . . 70 LYS HG3 . 15087 1 384 . 1 1 70 70 LYS N N 15 118.735 0.033 . . . . . . 70 LYS N . 15087 1 385 . 1 1 71 71 VAL H H 1 8.896 0.014 . . . . . . 71 VAL HN . 15087 1 386 . 1 1 71 71 VAL HA H 1 3.563 0.000 . . . . . . 71 VAL HA . 15087 1 387 . 1 1 71 71 VAL HB H 1 2.230 0.000 . . . . . . 71 VAL HB . 15087 1 388 . 1 1 71 71 VAL HG11 H 1 1.022 0.000 . . . . . . 71 VAL HG11 . 15087 1 389 . 1 1 71 71 VAL HG12 H 1 1.022 0.000 . . . . . . 71 VAL HG11 . 15087 1 390 . 1 1 71 71 VAL HG13 H 1 1.022 0.000 . . . . . . 71 VAL HG11 . 15087 1 391 . 1 1 71 71 VAL N N 15 121.214 0.036 . . . . . . 71 VAL N . 15087 1 392 . 1 1 72 72 ALA H H 1 7.785 0.014 . . . . . . 72 ALA HN . 15087 1 393 . 1 1 72 72 ALA HA H 1 4.187 0.000 . . . . . . 72 ALA HA . 15087 1 394 . 1 1 72 72 ALA HB1 H 1 1.574 0.000 . . . . . . 72 ALA HB1 . 15087 1 395 . 1 1 72 72 ALA HB2 H 1 1.574 0.000 . . . . . . 72 ALA HB1 . 15087 1 396 . 1 1 72 72 ALA HB3 H 1 1.574 0.000 . . . . . . 72 ALA HB1 . 15087 1 397 . 1 1 72 72 ALA N N 15 120.982 0.013 . . . . . . 72 ALA N . 15087 1 398 . 1 1 73 73 GLU H H 1 7.829 0.008 . . . . . . 73 GLU HN . 15087 1 399 . 1 1 73 73 GLU HA H 1 4.062 0.000 . . . . . . 73 GLU HA . 15087 1 400 . 1 1 73 73 GLU HB2 H 1 2.211 0.000 . . . . . . 73 GLU HB2 . 15087 1 401 . 1 1 73 73 GLU HG2 H 1 2.511 0.000 . . . . . . 73 GLU HG2 . 15087 1 402 . 1 1 73 73 GLU N N 15 118.785 0.023 . . . . . . 73 GLU N . 15087 1 403 . 1 1 74 74 ALA H H 1 8.168 0.006 . . . . . . 74 ALA HN . 15087 1 404 . 1 1 74 74 ALA HA H 1 4.156 0.000 . . . . . . 74 ALA HA . 15087 1 405 . 1 1 74 74 ALA HB1 H 1 1.616 0.000 . . . . . . 74 ALA HB1 . 15087 1 406 . 1 1 74 74 ALA HB2 H 1 1.616 0.000 . . . . . . 74 ALA HB1 . 15087 1 407 . 1 1 74 74 ALA HB3 H 1 1.616 0.000 . . . . . . 74 ALA HB1 . 15087 1 408 . 1 1 74 74 ALA N N 15 122.722 0.041 . . . . . . 74 ALA N . 15087 1 409 . 1 1 75 75 MET H H 1 8.462 0.011 . . . . . . 75 MET HN . 15087 1 410 . 1 1 75 75 MET HA H 1 4.416 0.000 . . . . . . 75 MET HA . 15087 1 411 . 1 1 75 75 MET HB2 H 1 2.282 0.000 . . . . . . 75 MET HB2 . 15087 1 412 . 1 1 75 75 MET HB3 H 1 1.980 0.000 . . . . . . 75 MET HB3 . 15087 1 413 . 1 1 75 75 MET HG2 H 1 2.692 0.000 . . . . . . 75 MET HG2 . 15087 1 414 . 1 1 75 75 MET HG3 H 1 2.568 0.000 . . . . . . 75 MET HG3 . 15087 1 415 . 1 1 75 75 MET N N 15 115.303 0.044 . . . . . . 75 MET N . 15087 1 416 . 1 1 76 76 GLU H H 1 7.729 0.001 . . . . . . 76 GLU HN . 15087 1 417 . 1 1 76 76 GLU HA H 1 4.156 0.000 . . . . . . 76 GLU HA . 15087 1 418 . 1 1 76 76 GLU HB2 H 1 2.220 0.000 . . . . . . 76 GLU HB2 . 15087 1 419 . 1 1 76 76 GLU HG2 H 1 2.386 0.000 . . . . . . 76 GLU HG2 . 15087 1 420 . 1 1 76 76 GLU N N 15 120.045 0.036 . . . . . . 76 GLU N . 15087 1 421 . 1 1 77 77 VAL H H 1 7.644 0.005 . . . . . . 77 VAL HN . 15087 1 422 . 1 1 77 77 VAL HA H 1 3.688 0.000 . . . . . . 77 VAL HA . 15087 1 423 . 1 1 77 77 VAL HB H 1 2.376 0.000 . . . . . . 77 VAL HB . 15087 1 424 . 1 1 77 77 VAL HG11 H 1 1.126 0.000 . . . . . . 77 VAL HG11 . 15087 1 425 . 1 1 77 77 VAL HG12 H 1 1.126 0.000 . . . . . . 77 VAL HG11 . 15087 1 426 . 1 1 77 77 VAL HG13 H 1 1.126 0.000 . . . . . . 77 VAL HG11 . 15087 1 427 . 1 1 77 77 VAL HG21 H 1 0.960 0.000 . . . . . . 77 VAL HG21 . 15087 1 428 . 1 1 77 77 VAL HG22 H 1 0.960 0.000 . . . . . . 77 VAL HG21 . 15087 1 429 . 1 1 77 77 VAL HG23 H 1 0.960 0.000 . . . . . . 77 VAL HG21 . 15087 1 430 . 1 1 77 77 VAL N N 15 120.982 0.017 . . . . . . 77 VAL N . 15087 1 431 . 1 1 78 78 LEU H H 1 8.225 0.009 . . . . . . 78 LEU HN . 15087 1 432 . 1 1 78 78 LEU HA H 1 4.052 0.000 . . . . . . 78 LEU HA . 15087 1 433 . 1 1 78 78 LEU HB2 H 1 1.543 0.000 . . . . . . 78 LEU HB2 . 15087 1 434 . 1 1 78 78 LEU HD11 H 1 0.893 0.016 . . . . . . 78 LEU HD11 . 15087 1 435 . 1 1 78 78 LEU HD12 H 1 0.893 0.016 . . . . . . 78 LEU HD11 . 15087 1 436 . 1 1 78 78 LEU HD13 H 1 0.893 0.016 . . . . . . 78 LEU HD11 . 15087 1 437 . 1 1 78 78 LEU N N 15 119.631 0.026 . . . . . . 78 LEU N . 15087 1 438 . 1 1 79 79 ARG H H 1 8.317 0.003 . . . . . . 79 ARG HN . 15087 1 439 . 1 1 79 79 ARG HA H 1 4.114 0.000 . . . . . . 79 ARG HA . 15087 1 440 . 1 1 79 79 ARG HB2 H 1 1.949 0.000 . . . . . . 79 ARG HB2 . 15087 1 441 . 1 1 79 79 ARG HG2 H 1 1.793 0.000 . . . . . . 79 ARG HG2 . 15087 1 442 . 1 1 79 79 ARG HG3 H 1 1.584 0.000 . . . . . . 79 ARG HG3 . 15087 1 443 . 1 1 79 79 ARG HD2 H 1 3.209 0.000 . . . . . . 79 ARG HD2 . 15087 1 444 . 1 1 79 79 ARG N N 15 118.701 0.035 . . . . . . 79 ARG N . 15087 1 445 . 1 1 80 80 SER H H 1 7.888 0.004 . . . . . . 80 SER HN . 15087 1 446 . 1 1 80 80 SER HA H 1 4.343 0.000 . . . . . . 80 SER HA . 15087 1 447 . 1 1 80 80 SER HB2 H 1 4.062 0.000 . . . . . . 80 SER HB2 . 15087 1 448 . 1 1 80 80 SER N N 15 114.602 0.022 . . . . . . 80 SER N . 15087 1 449 . 1 1 81 81 ALA H H 1 7.770 0.002 . . . . . . 81 ALA HN . 15087 1 450 . 1 1 81 81 ALA HA H 1 4.323 0.000 . . . . . . 81 ALA HA . 15087 1 451 . 1 1 81 81 ALA HB1 H 1 1.522 0.000 . . . . . . 81 ALA HB1 . 15087 1 452 . 1 1 81 81 ALA HB2 H 1 1.522 0.000 . . . . . . 81 ALA HB1 . 15087 1 453 . 1 1 81 81 ALA HB3 H 1 1.522 0.000 . . . . . . 81 ALA HB1 . 15087 1 454 . 1 1 81 81 ALA N N 15 123.201 0.037 . . . . . . 81 ALA N . 15087 1 455 . 1 1 82 82 GLN H H 1 7.863 0.001 . . . . . . 82 GLN HN . 15087 1 456 . 1 1 82 82 GLN HA H 1 4.271 0.000 . . . . . . 82 GLN HA . 15087 1 457 . 1 1 82 82 GLN HB2 H 1 2.168 0.000 . . . . . . 82 GLN HB2 . 15087 1 458 . 1 1 82 82 GLN HB3 H 1 2.063 0.000 . . . . . . 82 GLN HB3 . 15087 1 459 . 1 1 82 82 GLN HG2 H 1 2.438 0.000 . . . . . . 82 GLN HG2 . 15087 1 460 . 1 1 82 82 GLN N N 15 117.382 0.027 . . . . . . 82 GLN N . 15087 1 461 . 1 1 83 83 GLN H H 1 8.010 0.009 . . . . . . 83 GLN HN . 15087 1 462 . 1 1 83 83 GLN HA H 1 4.281 0.000 . . . . . . 83 GLN HA . 15087 1 463 . 1 1 83 83 GLN HB2 H 1 2.147 0.000 . . . . . . 83 GLN HB2 . 15087 1 464 . 1 1 83 83 GLN HB3 H 1 2.022 0.000 . . . . . . 83 GLN HB3 . 15087 1 465 . 1 1 83 83 GLN HG2 H 1 2.397 0.000 . . . . . . 83 GLN HG2 . 15087 1 466 . 1 1 83 83 GLN N N 15 119.169 0.005 . . . . . . 83 GLN N . 15087 1 467 . 1 1 84 84 HIS H H 1 8.172 0.006 . . . . . . 84 HIS HN . 15087 1 468 . 1 1 84 84 HIS HA H 1 4.744 0.000 . . . . . . 84 HIS HA . 15087 1 469 . 1 1 84 84 HIS N N 15 120.326 0.035 . . . . . . 84 HIS N . 15087 1 470 . 1 1 85 85 THR H H 1 8.081 0.013 . . . . . . 85 THR HN . 15087 1 471 . 1 1 85 85 THR N N 15 114.873 0.000 . . . . . . 85 THR N . 15087 1 stop_ save_