data_5877 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5877 _Entry.Title ; Solid State NMR Structure of the Major Coat Protein in Bacteriophage Pf1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-21 _Entry.Accession_date 2003-07-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _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 D. Thiriot . S. . 5877 2 S. Opella . J. . 5877 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5877 coupling_constants 1 5877 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 43 5877 'coupling constants' 43 5877 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 1 . . 2007-02-22 . update BMRB 'add relationship loop' 5877 2 . . 2004-10-25 . original author 'original release' 5877 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15138 '13C and 15N resonance assignments' 5877 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5877 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15288792 _Citation.Full_citation . _Citation.Title ; Structure of the coat protein in Pf1 bacteriophage determined by solid-state NMR spectroscopy. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 341 _Citation.Journal_issue 3 _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 869 _Citation.Page_last 879 _Citation.Year 2004 _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 D. Thiriot . S. . 5877 1 2 A. Nevzorov . A. . 5877 1 3 L. Zagyanskiy . . . 5877 1 4 C. Wu . H. . 5877 1 5 S. Opella . J. . 5877 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Virus/Viral protein' 5877 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Pf3_major_coat_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Pf3_major_coat_protein _Assembly.Entry_ID 5877 _Assembly.ID 1 _Assembly.Name 'Bacteriophage Pf1 major coat protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5877 1 stop_ 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 'Pf1 major coat protein' 1 $Pf1_coat_protein . . . native . . . . . 5877 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 1PJF . . . . . . 5877 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Bacteriophage Pf1 major coat protein' system 5877 1 'Pf3 major coat protein' abbreviation 5877 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pf1_coat_protein _Entity.Sf_category entity _Entity.Sf_framecode Pf1_coat_protein _Entity.Entry_ID 5877 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Pf1 phage major coat protein' _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 ; GVIDTSAVESAITDGQGDMK AIGGYIVGALVILAVAGLIY SMLRKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 46 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-01-28 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 BMRB 15138 . Pf1_phage_coat_protein . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 2 no PDB 1IFM . "Two Forms Of Pf1 Inovirus: X-Ray Diffraction Studies On A Structural Phase Transition And A Calculated Libration Normal Mode Of" . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 3 no PDB 1IFN . "Two Forms Of Pf1 Inovirus: X-Ray Diffraction Studies On A Structural Phase Transition And A Calculated Libration Normal Mode Of" . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 4 no PDB 1PFI . "Pf1 Virus Structure: Helical Coat Protein And Dna With Paraxial Phosphates" . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 5 no PDB 1PJF . "Solid State Nmr Structure Of The Pf1 Major Coat Protein In Magnetically Aligned Bacteriophage" . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 6 no PDB 1QL1 . "Inovirus (Filamentous Bacteriophage) Strain Pf1 Major Coat Protein Assembly" . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 7 no PDB 1QL2 . "Inovirus (Filamentous Bacteriophage) Strain Pf1 Major Coat Protein Assembly" . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 8 no PDB 1ZN5 . "Solid State Nmr Structure Of The Low-Temperature Form Of The Pf1 Major Coat Protein In Magnetically Aligned Bacteriophage" . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 9 no PDB 2IFM . "Pf1 Filamentous Bacteriophage: Refinement Of A Molecular Model By Simulated Annealing Using 3.3 Angstroms Resolution X-Ray Fibr" . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 10 no PDB 2IFN . "Pf1 Filamentous Bacteriophage: Refinement Of A Molecular Model By Simulated Annealing Using 3.3 Angstroms Resolution X-Ray Fibr" . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 11 no PDB 2KLV . "Membrane-Bound Structure Of The Pf1 Major Coat Protein In Dhpc Micelle" . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 12 no PDB 2KSJ . "Structure And Dynamics Of The Membrane-Bound Form Of Pf1 Coat Protein: Implications For Structural Rearrangement During Virus A" . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 13 no PDB 2XKM . "Consensus Structure Of Pf1 Filamentous Bacteriophage From X- Ray Fibre Diffraction And Solid-State Nmr" . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 14 no PDB 3IFM . "Pf1 Filamentous Bacteriophage: Refinement Of A Molecular Model By Simulated Annealing Using 3.3 Angstroms Resolution X-Ray Fibr" . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 15 no PDB 4IFM . "Pf1 Filamentous Bacteriophage: Refinement Of A Molecular Model By Simulated Annealing Using 3.3 Angstroms Resolution X-Ray Fibr" . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 16 no EMBL CAA36331 . "major coat protein [Pseudomonas phage Pf1]" . . . . . 100.00 82 100.00 100.00 3.26e-21 . . . . 5877 1 17 no EMBL CCQ85809 . "hypothetical protein PA18A_2405 [Pseudomonas aeruginosa 18A]" . . . . . 100.00 82 100.00 100.00 3.26e-21 . . . . 5877 1 18 no EMBL CDH73426 . "putative secreted protein [Pseudomonas aeruginosa MH38]" . . . . . 100.00 82 100.00 100.00 3.55e-21 . . . . 5877 1 19 no EMBL CDO83853 . "coat protein B of bacteriophage Pf1) [Pseudomonas aeruginosa]" . . . . . 100.00 82 100.00 100.00 3.26e-21 . . . . 5877 1 20 no GB AAG04112 . "coat protein B of bacteriophage Pf1 [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 82 100.00 100.00 3.26e-21 . . . . 5877 1 21 no GB AAT50608 . "PA0723, partial [synthetic construct]" . . . . . 100.00 83 100.00 100.00 3.88e-21 . . . . 5877 1 22 no GB ACS36651 . "phage coat protein B [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 82 100.00 100.00 3.26e-21 . . . . 5877 1 23 no GB AGV62109 . "capsid protein G8P [Pseudomonas aeruginosa PAO581]" . . . . . 100.00 82 100.00 100.00 3.26e-21 . . . . 5877 1 24 no GB AGV64452 . "capsid protein G8P [Pseudomonas aeruginosa c7447m]" . . . . . 100.00 82 100.00 100.00 3.26e-21 . . . . 5877 1 25 no PRF 754922A . protein,coat . . . . . 100.00 46 97.83 100.00 3.02e-20 . . . . 5877 1 26 no REF NP_039603 . "major coat protein [Pseudomonas phage Pf1]" . . . . . 100.00 82 100.00 100.00 3.26e-21 . . . . 5877 1 27 no REF NP_249414 . "coat protein B of bacteriophage Pf1 [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 82 100.00 100.00 3.26e-21 . . . . 5877 1 28 no REF NP_955532 . "major coat protein [Pseudomonas phage Pf1]" . . . . . 100.00 46 100.00 100.00 1.03e-20 . . . . 5877 1 29 no REF WP_003125072 . "MULTISPECIES: capsid protein [Pseudomonas]" . . . . . 100.00 82 100.00 100.00 3.26e-21 . . . . 5877 1 30 no REF WP_019372527 . "hypothetical protein, partial [Pseudomonas aeruginosa]" . . . . . 50.00 56 100.00 100.00 1.31e-05 . . . . 5877 1 31 no SP P03621 . "RecName: Full=Capsid protein G8P; AltName: Full=Coat protein B; AltName: Full=Gene 8 protein; Short=G8P; AltName: Full=Major co" . . . . . 100.00 82 100.00 100.00 3.26e-21 . . . . 5877 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Pf1 phage major coat protein' common 5877 1 'Pf1 coat protein' abbreviation 5877 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 . 5877 1 2 . VAL . 5877 1 3 . ILE . 5877 1 4 . ASP . 5877 1 5 . THR . 5877 1 6 . SER . 5877 1 7 . ALA . 5877 1 8 . VAL . 5877 1 9 . GLU . 5877 1 10 . SER . 5877 1 11 . ALA . 5877 1 12 . ILE . 5877 1 13 . THR . 5877 1 14 . ASP . 5877 1 15 . GLY . 5877 1 16 . GLN . 5877 1 17 . GLY . 5877 1 18 . ASP . 5877 1 19 . MET . 5877 1 20 . LYS . 5877 1 21 . ALA . 5877 1 22 . ILE . 5877 1 23 . GLY . 5877 1 24 . GLY . 5877 1 25 . TYR . 5877 1 26 . ILE . 5877 1 27 . VAL . 5877 1 28 . GLY . 5877 1 29 . ALA . 5877 1 30 . LEU . 5877 1 31 . VAL . 5877 1 32 . ILE . 5877 1 33 . LEU . 5877 1 34 . ALA . 5877 1 35 . VAL . 5877 1 36 . ALA . 5877 1 37 . GLY . 5877 1 38 . LEU . 5877 1 39 . ILE . 5877 1 40 . TYR . 5877 1 41 . SER . 5877 1 42 . MET . 5877 1 43 . LEU . 5877 1 44 . ARG . 5877 1 45 . LYS . 5877 1 46 . ALA . 5877 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 5877 1 . VAL 2 2 5877 1 . ILE 3 3 5877 1 . ASP 4 4 5877 1 . THR 5 5 5877 1 . SER 6 6 5877 1 . ALA 7 7 5877 1 . VAL 8 8 5877 1 . GLU 9 9 5877 1 . SER 10 10 5877 1 . ALA 11 11 5877 1 . ILE 12 12 5877 1 . THR 13 13 5877 1 . ASP 14 14 5877 1 . GLY 15 15 5877 1 . GLN 16 16 5877 1 . GLY 17 17 5877 1 . ASP 18 18 5877 1 . MET 19 19 5877 1 . LYS 20 20 5877 1 . ALA 21 21 5877 1 . ILE 22 22 5877 1 . GLY 23 23 5877 1 . GLY 24 24 5877 1 . TYR 25 25 5877 1 . ILE 26 26 5877 1 . VAL 27 27 5877 1 . GLY 28 28 5877 1 . ALA 29 29 5877 1 . LEU 30 30 5877 1 . VAL 31 31 5877 1 . ILE 32 32 5877 1 . LEU 33 33 5877 1 . ALA 34 34 5877 1 . VAL 35 35 5877 1 . ALA 36 36 5877 1 . GLY 37 37 5877 1 . LEU 38 38 5877 1 . ILE 39 39 5877 1 . TYR 40 40 5877 1 . SER 41 41 5877 1 . MET 42 42 5877 1 . LEU 43 43 5877 1 . ARG 44 44 5877 1 . LYS 45 45 5877 1 . ALA 46 46 5877 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 5877 _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 $Pf1_coat_protein . 10871 . . 'Inovirus Pseudomonas phage Pf1' 'Pseudomonas phage Pf1' . . Viruses . Inovirus 'Pseudomonas phage Pf1' . . . . . . . . 25102-B1 . . . . . . . . . . . . 5877 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 5877 _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 $Pf1_coat_protein . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Bacterial Host was Pseudomonas aeruginosa, ATCC# 25102.' . . 5877 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5877 _Sample.ID 1 _Sample.Type gel _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Pf1 phage major coat protein' [U-15N] . . 1 $Pf1_coat_protein . . 50 . . mg/mL . . . . 5877 1 2 'sodium borate buffer' . . . . . . . 5 . . mM . . . . 5877 1 3 H2O . . . . . . . . . . M . . . . 5877 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5877 _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 pH 8 0.2 na 5877 1 temperature 303 1 K 5877 1 pressure 1 . atm 5877 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5877 _Software.ID 1 _Software.Name FELIX _Software.Version 2000.1 _Software.Details Accelrys loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5877 1 stop_ save_ save_XWINNMR_MacNMR_NTNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR_MacNMR_NTNMR _Software.Entry_ID 5877 _Software.ID 2 _Software.Name 'XWINNMR, MacNMR, NTNMR' _Software.Version . _Software.Details 'Bruker, Tecmag' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5877 2 stop_ save_ save_MATLAB_script _Software.Sf_category software _Software.Sf_framecode MATLAB_script _Software.Entry_ID 5877 _Software.ID 3 _Software.Name 'MATLAB script' _Software.Version 6.5 _Software.Details Nevzorov loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5877 3 stop_ save_ save_MATLAB_scripts _Software.Sf_category software _Software.Sf_framecode MATLAB_scripts _Software.Entry_ID 5877 _Software.ID 4 _Software.Name 'MATLAB scripts' _Software.Version 6.5 _Software.Details 'Nevzorov, Thiriot' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5877 4 stop_ save_ save_SCWRL_modified _Software.Sf_category software _Software.Sf_framecode SCWRL_modified _Software.Entry_ID 5877 _Software.ID 5 _Software.Name SCWRL _Software.Version '2.95 - Blue Horizon modified' _Software.Details 'Bower, Cohen, Dunbrack, Majumdar, Chukkapalli' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5877 5 stop_ save_ save_SCWRL _Software.Sf_category software _Software.Sf_framecode SCWRL _Software.Entry_ID 5877 _Software.ID 6 _Software.Name SCWRL _Software.Version 2.95 _Software.Details 'Bower, Cohen, Dunbrack' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5877 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5877 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5877 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Homebuilt _NMR_spectrometer.Model Apollo _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 550 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5877 _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 NMR_spectrometer_1 Bruker AVANCE . 750 . . . 5877 1 2 NMR_spectrometer_2 Homebuilt Apollo . 550 . . . 5877 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 5877 _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 PISEMA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5877 1 2 'Magic Sammy' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5877 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5877 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name PISEMA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5877 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 'Magic Sammy' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5877 _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 N 15 'ammonium sulfate' 'ammonium ion' . . . . ppm 26.8 external direct 1.0 external cylindrical perpendicular . . . . . . 5877 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 5877 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 PISEMA 1 $sample_1 . 5877 1 2 'Magic Sammy' 1 $sample_1 . 5877 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 VAL N N 15 164.1 0.5 . . . . . . . . . . 5877 1 2 . 1 1 3 3 ILE N N 15 91.4 0.5 . . . . . . . . . . 5877 1 3 . 1 1 4 4 ASP N N 15 90.3 0.5 . . . . . . . . . . 5877 1 4 . 1 1 5 5 THR N N 15 101.5 0.5 . . . . . . . . . . 5877 1 5 . 1 1 6 6 SER N N 15 153.6 0.5 . . . . . . . . . . 5877 1 6 . 1 1 7 7 ALA N N 15 171 0.5 . . . . . . . . . . 5877 1 7 . 1 1 8 8 VAL N N 15 203.1 0.5 . . . . . . . . . . 5877 1 8 . 1 1 9 9 GLU N N 15 221.4 0.5 . . . . . . . . . . 5877 1 9 . 1 1 10 10 SER N N 15 196.2 0.5 . . . . . . . . . . 5877 1 10 . 1 1 11 11 ALA N N 15 162.8 0.5 . . . . . . . . . . 5877 1 11 . 1 1 12 12 ILE N N 15 188.3 0.5 . . . . . . . . . . 5877 1 12 . 1 1 13 13 THR N N 15 217.8 0.5 . . . . . . . . . . 5877 1 13 . 1 1 14 14 ASP N N 15 223.7 0.5 . . . . . . . . . . 5877 1 14 . 1 1 17 17 GLY N N 15 204.4 0.5 . . . . . . . . . . 5877 1 15 . 1 1 18 18 ASP N N 15 183.2 0.5 . . . . . . . . . . 5877 1 16 . 1 1 19 19 MET N N 15 175.5 0.5 . . . . . . . . . . 5877 1 17 . 1 1 20 20 LYS N N 15 211.1 0.5 . . . . . . . . . . 5877 1 18 . 1 1 21 21 ALA N N 15 210.2 0.5 . . . . . . . . . . 5877 1 19 . 1 1 22 22 ILE N N 15 164.3 0.5 . . . . . . . . . . 5877 1 20 . 1 1 23 23 GLY N N 15 180.4 0.5 . . . . . . . . . . 5877 1 21 . 1 1 24 24 GLY N N 15 213.1 0.5 . . . . . . . . . . 5877 1 22 . 1 1 25 25 TYR N N 15 190.9 0.5 . . . . . . . . . . 5877 1 23 . 1 1 26 26 ILE N N 15 166.9 0.5 . . . . . . . . . . 5877 1 24 . 1 1 27 27 VAL N N 15 191 0.5 . . . . . . . . . . 5877 1 25 . 1 1 28 28 GLY N N 15 204.4 0.5 . . . . . . . . . . 5877 1 26 . 1 1 29 29 ALA N N 15 181.8 0.5 . . . . . . . . . . 5877 1 27 . 1 1 30 30 LEU N N 15 176.9 0.5 . . . . . . . . . . 5877 1 28 . 1 1 31 31 VAL N N 15 205.2 0.5 . . . . . . . . . . 5877 1 29 . 1 1 32 32 ILE N N 15 219.4 0.5 . . . . . . . . . . 5877 1 30 . 1 1 33 33 LEU N N 15 174.3 0.5 . . . . . . . . . . 5877 1 31 . 1 1 34 34 ALA N N 15 192.1 0.5 . . . . . . . . . . 5877 1 32 . 1 1 35 35 VAL N N 15 215 0.5 . . . . . . . . . . 5877 1 33 . 1 1 36 36 ALA N N 15 208.7 0.5 . . . . . . . . . . 5877 1 34 . 1 1 37 37 GLY N N 15 158.9 0.5 . . . . . . . . . . 5877 1 35 . 1 1 38 38 LEU N N 15 212.6 0.5 . . . . . . . . . . 5877 1 36 . 1 1 39 39 ILE N N 15 219.9 0.5 . . . . . . . . . . 5877 1 37 . 1 1 40 40 TYR N N 15 188.8 0.5 . . . . . . . . . . 5877 1 38 . 1 1 41 41 SER N N 15 182.8 0.5 . . . . . . . . . . 5877 1 39 . 1 1 42 42 MET N N 15 221 0.5 . . . . . . . . . . 5877 1 40 . 1 1 43 43 LEU N N 15 203.6 0.5 . . . . . . . . . . 5877 1 41 . 1 1 44 44 ARG N N 15 143 0.5 . . . . . . . . . . 5877 1 42 . 1 1 45 45 LYS N N 15 142.6 0.5 . . . . . . . . . . 5877 1 43 . 1 1 46 46 ALA N N 15 201.1 0.5 . . . . . . . . . . 5877 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_1 _Coupling_constant_list.Entry_ID 5877 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 750 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5877 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 DHN . 1 1 2 2 VAL H H 1 . . 1 1 2 2 VAL N N 15 . 1.79 . . 0.1 . . . . . . . . . . . 5877 1 2 DHN . 1 1 3 3 ILE H H 1 . . 1 1 3 3 ILE N N 15 . 2.64 . . 0.1 . . . . . . . . . . . 5877 1 3 DHN . 1 1 4 4 ASP H H 1 . . 1 1 4 4 ASP N N 15 . 3.09 . . 0.1 . . . . . . . . . . . 5877 1 4 DHN . 1 1 5 5 THR H H 1 . . 1 1 5 5 THR N N 15 . 4.26 . . 0.1 . . . . . . . . . . . 5877 1 5 DHN . 1 1 6 6 SER H H 1 . . 1 1 6 6 SER N N 15 . 6.69 . . 0.1 . . . . . . . . . . . 5877 1 6 DHN . 1 1 7 7 ALA H H 1 . . 1 1 7 7 ALA N N 15 . 7.29 . . 0.1 . . . . . . . . . . . 5877 1 7 DHN . 1 1 8 8 VAL H H 1 . . 1 1 8 8 VAL N N 15 . 4.63 . . 0.1 . . . . . . . . . . . 5877 1 8 DHN . 1 1 9 9 GLU H H 1 . . 1 1 9 9 GLU N N 15 . 8.18 . . 0.1 . . . . . . . . . . . 5877 1 9 DHN . 1 1 10 10 SER H H 1 . . 1 1 10 10 SER N N 15 . 9.38 . . 0.1 . . . . . . . . . . . 5877 1 10 DHN . 1 1 11 11 ALA H H 1 . . 1 1 11 11 ALA N N 15 . 6.98 . . 0.1 . . . . . . . . . . . 5877 1 11 DHN . 1 1 12 12 ILE H H 1 . . 1 1 12 12 ILE N N 15 . 4.22 . . 0.1 . . . . . . . . . . . 5877 1 12 DHN . 1 1 13 13 THR H H 1 . . 1 1 13 13 THR N N 15 . 7.44 . . 0.1 . . . . . . . . . . . 5877 1 13 DHN . 1 1 14 14 ASP H H 1 . . 1 1 14 14 ASP N N 15 . 9.49 . . 0.1 . . . . . . . . . . . 5877 1 14 DHN . 1 1 17 17 GLY H H 1 . . 1 1 17 17 GLY N N 15 . 8.67 . . 0.1 . . . . . . . . . . . 5877 1 15 DHN . 1 1 18 18 ASP H H 1 . . 1 1 18 18 ASP N N 15 . 9.38 . . 0.1 . . . . . . . . . . . 5877 1 16 DHN . 1 1 19 19 MET H H 1 . . 1 1 19 19 MET N N 15 . 5.01 . . 0.1 . . . . . . . . . . . 5877 1 17 DHN . 1 1 20 20 LYS H H 1 . . 1 1 20 20 LYS N N 15 . 5.52 . . 0.1 . . . . . . . . . . . 5877 1 18 DHN . 1 1 21 21 ALA H H 1 . . 1 1 21 21 ALA N N 15 . 9.22 . . 0.1 . . . . . . . . . . . 5877 1 19 DHN . 1 1 22 22 ILE H H 1 . . 1 1 22 22 ILE N N 15 . 7.56 . . 0.1 . . . . . . . . . . . 5877 1 20 DHN . 1 1 23 23 GLY H H 1 . . 1 1 23 23 GLY N N 15 . 4.92 . . 0.1 . . . . . . . . . . . 5877 1 21 DHN . 1 1 24 24 GLY H H 1 . . 1 1 24 24 GLY N N 15 . 7.05 . . 0.1 . . . . . . . . . . . 5877 1 22 DHN . 1 1 25 25 TYR H H 1 . . 1 1 25 25 TYR N N 15 . 8.99 . . 0.1 . . . . . . . . . . . 5877 1 23 DHN . 1 1 26 26 ILE H H 1 . . 1 1 26 26 ILE N N 15 . 5.99 . . 0.1 . . . . . . . . . . . 5877 1 24 DHN . 1 1 27 27 VAL H H 1 . . 1 1 27 27 VAL N N 15 . 5.63 . . 0.1 . . . . . . . . . . . 5877 1 25 DHN . 1 1 28 28 GLY H H 1 . . 1 1 28 28 GLY N N 15 . 8.67 . . 0.1 . . . . . . . . . . . 5877 1 26 DHN . 1 1 29 29 ALA H H 1 . . 1 1 29 29 ALA N N 15 . 7.64 . . 0.1 . . . . . . . . . . . 5877 1 27 DHN . 1 1 30 30 LEU H H 1 . . 1 1 30 30 LEU N N 15 . 6.11 . . 0.1 . . . . . . . . . . . 5877 1 28 DHN . 1 1 31 31 VAL H H 1 . . 1 1 31 31 VAL N N 15 . 4.62 . . 0.1 . . . . . . . . . . . 5877 1 29 DHN . 1 1 32 32 ILE H H 1 . . 1 1 32 32 ILE N N 15 . 9.18 . . 0.1 . . . . . . . . . . . 5877 1 30 DHN . 1 1 33 33 LEU H H 1 . . 1 1 33 33 LEU N N 15 . 8.12 . . 0.1 . . . . . . . . . . . 5877 1 31 DHN . 1 1 34 34 ALA H H 1 . . 1 1 34 34 ALA N N 15 . 5.4 . . 0.1 . . . . . . . . . . . 5877 1 32 DHN . 1 1 35 35 VAL H H 1 . . 1 1 35 35 VAL N N 15 . 6.6 . . 0.1 . . . . . . . . . . . 5877 1 33 DHN . 1 1 36 36 ALA H H 1 . . 1 1 36 36 ALA N N 15 . 9.73 . . 0.1 . . . . . . . . . . . 5877 1 34 DHN . 1 1 37 37 GLY H H 1 . . 1 1 37 37 GLY N N 15 . 7.81 . . 0.1 . . . . . . . . . . . 5877 1 35 DHN . 1 1 38 38 LEU H H 1 . . 1 1 38 38 LEU N N 15 . 5.19 . . 0.1 . . . . . . . . . . . 5877 1 36 DHN . 1 1 39 39 ILE H H 1 . . 1 1 39 39 ILE N N 15 . 9 . . 0.1 . . . . . . . . . . . 5877 1 37 DHN . 1 1 40 40 TYR H H 1 . . 1 1 40 40 TYR N N 15 . 9.25 . . 0.1 . . . . . . . . . . . 5877 1 38 DHN . 1 1 41 41 SER H H 1 . . 1 1 41 41 SER N N 15 . 6.21 . . 0.1 . . . . . . . . . . . 5877 1 39 DHN . 1 1 42 42 MET H H 1 . . 1 1 42 42 MET N N 15 . 6.06 . . 0.1 . . . . . . . . . . . 5877 1 40 DHN . 1 1 43 43 LEU H H 1 . . 1 1 43 43 LEU N N 15 . 9.7 . . 0.1 . . . . . . . . . . . 5877 1 41 DHN . 1 1 44 44 ARG H H 1 . . 1 1 44 44 ARG N N 15 . 6.29 . . 0.1 . . . . . . . . . . . 5877 1 42 DHN . 1 1 45 45 LYS H H 1 . . 1 1 45 45 LYS N N 15 . 1.56 . . 0.1 . . . . . . . . . . . 5877 1 43 DHN . 1 1 46 46 ALA H H 1 . . 1 1 46 46 ALA N N 15 . 4.43 . . 0.1 . . . . . . . . . . . 5877 1 stop_ save_