data_15529 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15529 _Entry.Title ; Back bone chemical shifts of B. subtillis protein YkuJ, Northeast Structural Genomics Consortium Target SR360. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-17 _Entry.Accession_date 2007-10-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'back bone chemical shifts of the B. subtillis protein YkuJ, NESG target SR360' _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 Xu Wang . . . 15529 2 Chi-Kent Ho . . . 15529 3 Haleema Janjua . . . 15529 4 Kellie Cunningham . . . 15529 5 Li-Chung Ma . . . 15529 6 Rong Xiao . . . 15529 7 Jinfeng Liu . . . 15529 8 Michael Baran . . . 15529 9 Thomas Acton . B. . 15529 10 Burkhard Rost . . . 15529 11 Gaetano Montelione . T. . 15529 12 Sonal Bansal . . . 15529 13 James Prestegard . H. . 15529 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Northeast Structural Genomics Consortium' . 15529 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15529 RDCs 2 15529 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 137 15529 '15N chemical shifts' 70 15529 '1H chemical shifts' 70 15529 'residual dipolar couplings' 111 15529 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 . . 2008-07-03 2007-10-17 update BMRB 'complete entry citation' 15529 1 . . 2007-10-31 2007-10-17 original author 'original release' 15529 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2FFG . 15529 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15529 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18436958 _Citation.Full_citation . _Citation.Title 'RDC-assisted modeling of symmetric protein homo-oligomers' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 5 _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 899 _Citation.Page_last 907 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xu Wang . . . 15529 1 2 Sonal Bansal . . . 15529 1 3 Mei Jiang . . . 15529 1 4 James Prestegard . H. . 15529 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15529 _Assembly.ID 1 _Assembly.Name sr360 _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 no _Assembly.Thiol_state . _Assembly.Molecular_mass 10320.8 _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 SR360 1 $SR360 A . yes native no no . . . 15529 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 2ffg . . X-ray . 'same molecule' . 15529 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SR360 _Entity.Sf_category entity _Entity.Sf_framecode SR360 _Entity.Entry_ID 15529 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SR360 _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 ; MSQLMGIITRLQSLQETAEA ANEPMQRYFEVNGEKICSVK YFEKNQTFELTVFQKGEKPN TYPFDNIDMVSIEIFELLQL EHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Last 8 residues are part of the His tag' _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10320.8 _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 DBJ BAI85020 . "hypothetical protein BSNT_07903 [Bacillus subtilis subsp. natto BEST195]" . . . . . 86.21 75 100.00 100.00 4.22e-47 . . . . 15529 1 2 no DBJ BAM52055 . "hypothetical protein BEST7613_3124 [Synechocystis sp. PCC 6803]" . . . . . 90.80 79 100.00 100.00 3.90e-50 . . . . 15529 1 3 no DBJ BAM57632 . "hypothetical protein BEST7003_1431 [Bacillus subtilis BEST7003]" . . . . . 90.80 79 100.00 100.00 3.90e-50 . . . . 15529 1 4 no DBJ GAK78526 . "hypothetical protein BSMD_004230 [Bacillus subtilis Miyagi-4]" . . . . . 90.80 79 100.00 100.00 3.90e-50 . . . . 15529 1 5 no EMBL CAA10873 . "YkuJ protein [Bacillus subtilis]" . . . . . 90.80 79 100.00 100.00 3.90e-50 . . . . 15529 1 6 no EMBL CAB13283 . "putative RNA-specific modification enzyme [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 90.80 79 100.00 100.00 3.90e-50 . . . . 15529 1 7 no EMBL CBI42612 . "conserved hypothetical protein [Bacillus amyloliquefaciens DSM 7]" . . . . . 90.80 79 97.47 100.00 3.63e-49 . . . . 15529 1 8 no EMBL CCF04895 . "putative protein ykuJ [Bacillus methylotrophicus CAU B946]" . . . . . 90.80 79 98.73 100.00 8.26e-50 . . . . 15529 1 9 no EMBL CCG49344 . "putative protein ykuJ [Bacillus methylotrophicus YAU B9601-Y2]" . . . . . 90.80 79 98.73 100.00 8.26e-50 . . . . 15529 1 10 no GB ABS73750 . "YkuJ [Bacillus amyloliquefaciens subsp. plantarum str. FZB42]" . . . . . 90.80 79 98.73 100.00 8.26e-50 . . . . 15529 1 11 no GB ADM37497 . "conserved hypothetical protein [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 90.80 79 100.00 100.00 3.90e-50 . . . . 15529 1 12 no GB ADV96428 . "YkuJ [Bacillus subtilis BSn5]" . . . . . 90.80 79 100.00 100.00 3.90e-50 . . . . 15529 1 13 no GB AEB24186 . "YkuJ [Bacillus amyloliquefaciens TA208]" . . . . . 90.80 79 97.47 100.00 3.63e-49 . . . . 15529 1 14 no GB AEB63055 . "hypothetical protein LL3_01514 [Bacillus amyloliquefaciens LL3]" . . . . . 90.80 79 97.47 100.00 3.63e-49 . . . . 15529 1 15 no REF NP_389293 . "hypothetical protein BSU14100 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 90.80 79 100.00 100.00 3.90e-50 . . . . 15529 1 16 no REF WP_003154613 . "MULTISPECIES: hypothetical protein [Bacillus]" . . . . . 90.80 79 98.73 100.00 8.26e-50 . . . . 15529 1 17 no REF WP_003218671 . "MULTISPECIES: hypothetical protein [Bacillales]" . . . . . 90.80 79 100.00 100.00 3.90e-50 . . . . 15529 1 18 no REF WP_010334055 . "hypothetical protein [Bacillus mojavensis]" . . . . . 90.80 79 98.73 100.00 2.02e-49 . . . . 15529 1 19 no REF WP_013352074 . "MULTISPECIES: hypothetical protein [Bacillus subtilis group]" . . . . . 90.80 79 97.47 100.00 3.63e-49 . . . . 15529 1 20 no SP O34588 . "RecName: Full=Uncharacterized protein YkuJ; Flags: Precursor" . . . . . 90.80 79 100.00 100.00 3.90e-50 . . . . 15529 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 . MET . 15529 1 2 . SER . 15529 1 3 . GLN . 15529 1 4 . LEU . 15529 1 5 . MET . 15529 1 6 . GLY . 15529 1 7 . ILE . 15529 1 8 . ILE . 15529 1 9 . THR . 15529 1 10 . ARG . 15529 1 11 . LEU . 15529 1 12 . GLN . 15529 1 13 . SER . 15529 1 14 . LEU . 15529 1 15 . GLN . 15529 1 16 . GLU . 15529 1 17 . THR . 15529 1 18 . ALA . 15529 1 19 . GLU . 15529 1 20 . ALA . 15529 1 21 . ALA . 15529 1 22 . ASN . 15529 1 23 . GLU . 15529 1 24 . PRO . 15529 1 25 . MET . 15529 1 26 . GLN . 15529 1 27 . ARG . 15529 1 28 . TYR . 15529 1 29 . PHE . 15529 1 30 . GLU . 15529 1 31 . VAL . 15529 1 32 . ASN . 15529 1 33 . GLY . 15529 1 34 . GLU . 15529 1 35 . LYS . 15529 1 36 . ILE . 15529 1 37 . CYS . 15529 1 38 . SER . 15529 1 39 . VAL . 15529 1 40 . LYS . 15529 1 41 . TYR . 15529 1 42 . PHE . 15529 1 43 . GLU . 15529 1 44 . LYS . 15529 1 45 . ASN . 15529 1 46 . GLN . 15529 1 47 . THR . 15529 1 48 . PHE . 15529 1 49 . GLU . 15529 1 50 . LEU . 15529 1 51 . THR . 15529 1 52 . VAL . 15529 1 53 . PHE . 15529 1 54 . GLN . 15529 1 55 . LYS . 15529 1 56 . GLY . 15529 1 57 . GLU . 15529 1 58 . LYS . 15529 1 59 . PRO . 15529 1 60 . ASN . 15529 1 61 . THR . 15529 1 62 . TYR . 15529 1 63 . PRO . 15529 1 64 . PHE . 15529 1 65 . ASP . 15529 1 66 . ASN . 15529 1 67 . ILE . 15529 1 68 . ASP . 15529 1 69 . MET . 15529 1 70 . VAL . 15529 1 71 . SER . 15529 1 72 . ILE . 15529 1 73 . GLU . 15529 1 74 . ILE . 15529 1 75 . PHE . 15529 1 76 . GLU . 15529 1 77 . LEU . 15529 1 78 . LEU . 15529 1 79 . GLN . 15529 1 80 . LEU . 15529 1 81 . GLU . 15529 1 82 . HIS . 15529 1 83 . HIS . 15529 1 84 . HIS . 15529 1 85 . HIS . 15529 1 86 . HIS . 15529 1 87 . HIS . 15529 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15529 1 . SER 2 2 15529 1 . GLN 3 3 15529 1 . LEU 4 4 15529 1 . MET 5 5 15529 1 . GLY 6 6 15529 1 . ILE 7 7 15529 1 . ILE 8 8 15529 1 . THR 9 9 15529 1 . ARG 10 10 15529 1 . LEU 11 11 15529 1 . GLN 12 12 15529 1 . SER 13 13 15529 1 . LEU 14 14 15529 1 . GLN 15 15 15529 1 . GLU 16 16 15529 1 . THR 17 17 15529 1 . ALA 18 18 15529 1 . GLU 19 19 15529 1 . ALA 20 20 15529 1 . ALA 21 21 15529 1 . ASN 22 22 15529 1 . GLU 23 23 15529 1 . PRO 24 24 15529 1 . MET 25 25 15529 1 . GLN 26 26 15529 1 . ARG 27 27 15529 1 . TYR 28 28 15529 1 . PHE 29 29 15529 1 . GLU 30 30 15529 1 . VAL 31 31 15529 1 . ASN 32 32 15529 1 . GLY 33 33 15529 1 . GLU 34 34 15529 1 . LYS 35 35 15529 1 . ILE 36 36 15529 1 . CYS 37 37 15529 1 . SER 38 38 15529 1 . VAL 39 39 15529 1 . LYS 40 40 15529 1 . TYR 41 41 15529 1 . PHE 42 42 15529 1 . GLU 43 43 15529 1 . LYS 44 44 15529 1 . ASN 45 45 15529 1 . GLN 46 46 15529 1 . THR 47 47 15529 1 . PHE 48 48 15529 1 . GLU 49 49 15529 1 . LEU 50 50 15529 1 . THR 51 51 15529 1 . VAL 52 52 15529 1 . PHE 53 53 15529 1 . GLN 54 54 15529 1 . LYS 55 55 15529 1 . GLY 56 56 15529 1 . GLU 57 57 15529 1 . LYS 58 58 15529 1 . PRO 59 59 15529 1 . ASN 60 60 15529 1 . THR 61 61 15529 1 . TYR 62 62 15529 1 . PRO 63 63 15529 1 . PHE 64 64 15529 1 . ASP 65 65 15529 1 . ASN 66 66 15529 1 . ILE 67 67 15529 1 . ASP 68 68 15529 1 . MET 69 69 15529 1 . VAL 70 70 15529 1 . SER 71 71 15529 1 . ILE 72 72 15529 1 . GLU 73 73 15529 1 . ILE 74 74 15529 1 . PHE 75 75 15529 1 . GLU 76 76 15529 1 . LEU 77 77 15529 1 . LEU 78 78 15529 1 . GLN 79 79 15529 1 . LEU 80 80 15529 1 . GLU 81 81 15529 1 . HIS 82 82 15529 1 . HIS 83 83 15529 1 . HIS 84 84 15529 1 . HIS 85 85 15529 1 . HIS 86 86 15529 1 . HIS 87 87 15529 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 15529 _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 $SR360 . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis 168 . . . . . . . . . . . . . . . YkuJ . . . . 15529 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 15529 _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 $SR360 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 BL21(DE3) . . . . . . . . . . . . . . pET-21b . . . . . . 15529 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15529 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Isotropic sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 SR360 '[U-100% 13C; U-100% 15N]' . . 1 $SR360 . . 1.2 . . mM 0.1 . . . 15529 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15529 1 3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15529 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15529 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15529 1 6 'Calcium Chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15529 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15529 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '4% C12E5 alignment sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 SR360 '[5% 13C; U-100% 15N]' . . 1 $SR360 . . 1.2 . . mM 0.1 . . . 15529 2 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15529 2 3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15529 2 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15529 2 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15529 2 6 'Calcium Chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15529 2 7 'pentaethylene glycol monododecyl ether' 'natural abundance' . . . . . . 0.04 . . v/v . . . . 15529 2 8 Hexanol 'natural abundance' . . . . . . 0.006 . . v/v . . . . 15529 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15529 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10mg/ml phage alignment sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 SR360 '[5% 13C; U-100% 15N]' . . 1 $SR360 . . 1.2 . . mM 0.1 . . . 15529 3 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15529 3 3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 15529 3 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15529 3 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15529 3 6 'Calcium Chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15529 3 7 'Pf1 phage' 'natural abundance' . . . . . . 0.01 . . w/v . . . . 15529 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15529 _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' 0.115 . M 15529 1 pH 6.5 . pH 15529 1 pressure 1 . atm 15529 1 temperature 298 . K 15529 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15529 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15529 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15529 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15529 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15529 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15529 2 stop_ save_ save_REDCAT _Software.Sf_category software _Software.Sf_framecode REDCAT _Software.Entry_ID 15529 _Software.ID 3 _Software.Name REDCAT _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Valafar,Losonszi,Prestegard . . 15529 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15529 3 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 15529 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15529 _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 INOVA . 600 . . . 15529 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 15529 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15529 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15529 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15529 1 4 '2D IPAP 1H,15N-HSQC' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15529 1 5 '2D IPAP 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15529 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 15529 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15529 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15529 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15529 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 15529 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15529 1 2 '3D CBCA(CO)NH' . . . 15529 1 3 '3D HNCACB' . . . 15529 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 4 4 LEU H H 1 8.74 0.03 . 1 . . . . 4 L HN . 15529 1 2 . 1 1 4 4 LEU CA C 13 57.96 0.4 . 1 . . . . 4 L CA . 15529 1 3 . 1 1 4 4 LEU CB C 13 41.91 0.4 . 1 . . . . 4 L CB . 15529 1 4 . 1 1 4 4 LEU N N 15 122.38 0.4 . 1 . . . . 4 L N . 15529 1 5 . 1 1 5 5 MET H H 1 8.50 0.03 . 1 . . . . 5 M HN . 15529 1 6 . 1 1 5 5 MET CA C 13 58.76 0.4 . 1 . . . . 5 M CA . 15529 1 7 . 1 1 5 5 MET CB C 13 32.67 0.4 . 1 . . . . 5 M CB . 15529 1 8 . 1 1 5 5 MET N N 15 118.11 0.4 . 1 . . . . 5 M N . 15529 1 9 . 1 1 6 6 GLY H H 1 7.41 0.03 . 1 . . . . 6 G HN . 15529 1 10 . 1 1 6 6 GLY CA C 13 47.10 0.4 . 1 . . . . 6 G CA . 15529 1 11 . 1 1 6 6 GLY N N 15 105.36 0.4 . 1 . . . . 6 G N . 15529 1 12 . 1 1 7 7 ILE H H 1 7.61 0.03 . 1 . . . . 7 I HN . 15529 1 13 . 1 1 7 7 ILE CA C 13 66.17 0.4 . 1 . . . . 7 I CA . 15529 1 14 . 1 1 7 7 ILE CB C 13 39.46 0.4 . 1 . . . . 7 I CB . 15529 1 15 . 1 1 7 7 ILE N N 15 123.46 0.4 . 1 . . . . 7 I N . 15529 1 16 . 1 1 8 8 ILE H H 1 8.36 0.03 . 1 . . . . 8 I HN . 15529 1 17 . 1 1 8 8 ILE CA C 13 66.10 0.4 . 1 . . . . 8 I CA . 15529 1 18 . 1 1 8 8 ILE CB C 13 39.12 0.4 . 1 . . . . 8 I CB . 15529 1 19 . 1 1 8 8 ILE N N 15 118.84 0.4 . 1 . . . . 8 I N . 15529 1 20 . 1 1 9 9 THR H H 1 8.39 0.03 . 1 . . . . 9 T HN . 15529 1 21 . 1 1 9 9 THR CA C 13 66.32 0.4 . 1 . . . . 9 T CA . 15529 1 22 . 1 1 9 9 THR CB C 13 68.76 0.4 . 1 . . . . 9 T CB . 15529 1 23 . 1 1 9 9 THR N N 15 111.67 0.4 . 1 . . . . 9 T N . 15529 1 24 . 1 1 10 10 ARG H H 1 7.63 0.03 . 1 . . . . 10 R HN . 15529 1 25 . 1 1 10 10 ARG CA C 13 59.68 0.4 . 1 . . . . 10 R CA . 15529 1 26 . 1 1 10 10 ARG CB C 13 30.53 0.4 . 1 . . . . 10 R CB . 15529 1 27 . 1 1 10 10 ARG N N 15 122.46 0.4 . 1 . . . . 10 R N . 15529 1 28 . 1 1 11 11 LEU H H 1 8.29 0.03 . 1 . . . . 11 L HN . 15529 1 29 . 1 1 11 11 LEU CA C 13 58.11 0.4 . 1 . . . . 11 L CA . 15529 1 30 . 1 1 11 11 LEU CB C 13 41.12 0.4 . 1 . . . . 11 L CB . 15529 1 31 . 1 1 11 11 LEU N N 15 121.82 0.4 . 1 . . . . 11 L N . 15529 1 32 . 1 1 12 12 GLN H H 1 9.03 0.03 . 1 . . . . 12 Q HN . 15529 1 33 . 1 1 12 12 GLN CA C 13 59.26 0.4 . 1 . . . . 12 Q CA . 15529 1 34 . 1 1 12 12 GLN CB C 13 28.23 0.4 . 1 . . . . 12 Q CB . 15529 1 35 . 1 1 12 12 GLN N N 15 121.43 0.4 . 1 . . . . 12 Q N . 15529 1 36 . 1 1 13 13 SER H H 1 7.93 0.03 . 1 . . . . 13 S HN . 15529 1 37 . 1 1 13 13 SER CA C 13 61.29 0.4 . 1 . . . . 13 S CA . 15529 1 38 . 1 1 13 13 SER CB C 13 62.65 0.4 . 1 . . . . 13 S CB . 15529 1 39 . 1 1 13 13 SER N N 15 114.13 0.4 . 1 . . . . 13 S N . 15529 1 40 . 1 1 14 14 LEU H H 1 7.61 0.03 . 1 . . . . 14 L HN . 15529 1 41 . 1 1 14 14 LEU CA C 13 58.00 0.4 . 1 . . . . 14 L CA . 15529 1 42 . 1 1 14 14 LEU CB C 13 42.39 0.4 . 1 . . . . 14 L CB . 15529 1 43 . 1 1 14 14 LEU N N 15 123.46 0.4 . 1 . . . . 14 L N . 15529 1 44 . 1 1 15 15 GLN H H 1 7.74 0.03 . 1 . . . . 15 Q HN . 15529 1 45 . 1 1 15 15 GLN CA C 13 58.38 0.4 . 1 . . . . 15 Q CA . 15529 1 46 . 1 1 15 15 GLN CB C 13 28.77 0.4 . 1 . . . . 15 Q CB . 15529 1 47 . 1 1 15 15 GLN N N 15 117.07 0.4 . 1 . . . . 15 Q N . 15529 1 48 . 1 1 16 16 GLU H H 1 7.95 0.03 . 1 . . . . 16 E HN . 15529 1 49 . 1 1 16 16 GLU CA C 13 58.68 0.4 . 1 . . . . 16 E CA . 15529 1 50 . 1 1 16 16 GLU CB C 13 29.95 0.4 . 1 . . . . 16 E CB . 15529 1 51 . 1 1 16 16 GLU N N 15 117.77 0.4 . 1 . . . . 16 E N . 15529 1 52 . 1 1 17 17 THR H H 1 8.23 0.03 . 1 . . . . 17 T HN . 15529 1 53 . 1 1 17 17 THR CA C 13 65.02 0.4 . 1 . . . . 17 T CA . 15529 1 54 . 1 1 17 17 THR CB C 13 69.26 0.4 . 1 . . . . 17 T CB . 15529 1 55 . 1 1 17 17 THR N N 15 114.76 0.4 . 1 . . . . 17 T N . 15529 1 56 . 1 1 18 18 ALA H H 1 8.32 0.03 . 1 . . . . 18 A HN . 15529 1 57 . 1 1 18 18 ALA CA C 13 55.01 0.4 . 1 . . . . 18 A CA . 15529 1 58 . 1 1 18 18 ALA CB C 13 20.02 0.4 . 1 . . . . 18 A CB . 15529 1 59 . 1 1 18 18 ALA N N 15 126.72 0.4 . 1 . . . . 18 A N . 15529 1 60 . 1 1 19 19 GLU H H 1 8.44 0.03 . 1 . . . . 19 E HN . 15529 1 61 . 1 1 19 19 GLU CA C 13 58.64 0.4 . 1 . . . . 19 E CA . 15529 1 62 . 1 1 19 19 GLU CB C 13 29.60 0.4 . 1 . . . . 19 E CB . 15529 1 63 . 1 1 19 19 GLU N N 15 117.73 0.4 . 1 . . . . 19 E N . 15529 1 64 . 1 1 20 20 ALA H H 1 7.92 0.03 . 1 . . . . 20 A HN . 15529 1 65 . 1 1 20 20 ALA CA C 13 53.81 0.4 . 1 . . . . 20 A CA . 15529 1 66 . 1 1 20 20 ALA CB C 13 18.81 0.4 . 1 . . . . 20 A CB . 15529 1 67 . 1 1 20 20 ALA N N 15 121.42 0.4 . 1 . . . . 20 A N . 15529 1 68 . 1 1 21 21 ALA H H 1 7.95 0.03 . 1 . . . . 21 A HN . 15529 1 69 . 1 1 21 21 ALA CA C 13 52.65 0.4 . 1 . . . . 21 A CA . 15529 1 70 . 1 1 21 21 ALA CB C 13 19.85 0.4 . 1 . . . . 21 A CB . 15529 1 71 . 1 1 21 21 ALA N N 15 119.40 0.4 . 1 . . . . 21 A N . 15529 1 72 . 1 1 22 22 ASN H H 1 8.25 0.03 . 1 . . . . 22 N HN . 15529 1 73 . 1 1 22 22 ASN CA C 13 54.30 0.4 . 1 . . . . 22 N CA . 15529 1 74 . 1 1 22 22 ASN CB C 13 38.21 0.4 . 1 . . . . 22 N CB . 15529 1 75 . 1 1 22 22 ASN N N 15 115.18 0.4 . 1 . . . . 22 N N . 15529 1 76 . 1 1 23 23 GLU H H 1 7.78 0.03 . 1 . . . . 23 E HN . 15529 1 77 . 1 1 23 23 GLU CA C 13 54.35 0.4 . 1 . . . . 23 E CA . 15529 1 78 . 1 1 23 23 GLU CB C 13 31.67 0.4 . 1 . . . . 23 E CB . 15529 1 79 . 1 1 23 23 GLU N N 15 116.93 0.4 . 1 . . . . 23 E N . 15529 1 80 . 1 1 26 26 GLN H H 1 7.84 0.03 . 1 . . . . 26 Q HN . 15529 1 81 . 1 1 26 26 GLN CA C 13 54.21 0.4 . 1 . . . . 26 Q CA . 15529 1 82 . 1 1 26 26 GLN CB C 13 36.34 0.4 . 1 . . . . 26 Q CB . 15529 1 83 . 1 1 26 26 GLN N N 15 119.41 0.4 . 1 . . . . 26 Q N . 15529 1 84 . 1 1 27 27 ARG H H 1 8.50 0.03 . 1 . . . . 27 R HN . 15529 1 85 . 1 1 27 27 ARG CA C 13 54.15 0.4 . 1 . . . . 27 R CA . 15529 1 86 . 1 1 27 27 ARG CB C 13 33.23 0.4 . 1 . . . . 27 R CB . 15529 1 87 . 1 1 27 27 ARG N N 15 119.44 0.4 . 1 . . . . 27 R N . 15529 1 88 . 1 1 28 28 TYR H H 1 8.74 0.03 . 1 . . . . 28 Y HN . 15529 1 89 . 1 1 28 28 TYR CA C 13 57.55 0.4 . 1 . . . . 28 Y CA . 15529 1 90 . 1 1 28 28 TYR CB C 13 41.17 0.4 . 1 . . . . 28 Y CB . 15529 1 91 . 1 1 28 28 TYR N N 15 119.77 0.4 . 1 . . . . 28 Y N . 15529 1 92 . 1 1 29 29 PHE H H 1 8.75 0.03 . 1 . . . . 29 F HN . 15529 1 93 . 1 1 29 29 PHE CA C 13 58.08 0.4 . 1 . . . . 29 F CA . 15529 1 94 . 1 1 29 29 PHE CB C 13 40.98 0.4 . 1 . . . . 29 F CB . 15529 1 95 . 1 1 29 29 PHE N N 15 118.67 0.4 . 1 . . . . 29 F N . 15529 1 96 . 1 1 30 30 GLU H H 1 8.89 0.03 . 1 . . . . 30 E HN . 15529 1 97 . 1 1 30 30 GLU CA C 13 54.52 0.4 . 1 . . . . 30 E CA . 15529 1 98 . 1 1 30 30 GLU CB C 13 34.52 0.4 . 1 . . . . 30 E CB . 15529 1 99 . 1 1 30 30 GLU N N 15 122.60 0.4 . 1 . . . . 30 E N . 15529 1 100 . 1 1 31 31 VAL H H 1 8.53 0.03 . 1 . . . . 31 V HN . 15529 1 101 . 1 1 31 31 VAL CA C 13 62.04 0.4 . 1 . . . . 31 V CA . 15529 1 102 . 1 1 31 31 VAL CB C 13 34.94 0.4 . 1 . . . . 31 V CB . 15529 1 103 . 1 1 31 31 VAL N N 15 119.51 0.4 . 1 . . . . 31 V N . 15529 1 104 . 1 1 32 32 ASN H H 1 9.62 0.03 . 1 . . . . 32 N HN . 15529 1 105 . 1 1 32 32 ASN CA C 13 54.33 0.4 . 1 . . . . 32 N CA . 15529 1 106 . 1 1 32 32 ASN CB C 13 37.54 0.4 . 1 . . . . 32 N CB . 15529 1 107 . 1 1 32 32 ASN N N 15 127.56 0.4 . 1 . . . . 32 N N . 15529 1 108 . 1 1 33 33 GLY H H 1 8.74 0.03 . 1 . . . . 33 G HN . 15529 1 109 . 1 1 33 33 GLY CA C 13 45.48 0.4 . 1 . . . . 33 G CA . 15529 1 110 . 1 1 33 33 GLY N N 15 103.56 0.4 . 1 . . . . 33 G N . 15529 1 111 . 1 1 34 34 GLU H H 1 7.83 0.03 . 1 . . . . 34 E HN . 15529 1 112 . 1 1 34 34 GLU CA C 13 54.33 0.4 . 1 . . . . 34 E CA . 15529 1 113 . 1 1 34 34 GLU CB C 13 31.70 0.4 . 1 . . . . 34 E CB . 15529 1 114 . 1 1 34 34 GLU N N 15 120.64 0.4 . 1 . . . . 34 E N . 15529 1 115 . 1 1 35 35 LYS H H 1 8.72 0.03 . 1 . . . . 35 K HN . 15529 1 116 . 1 1 35 35 LYS CA C 13 57.32 0.4 . 1 . . . . 35 K CA . 15529 1 117 . 1 1 35 35 LYS CB C 13 32.05 0.4 . 1 . . . . 35 K CB . 15529 1 118 . 1 1 35 35 LYS N N 15 124.27 0.4 . 1 . . . . 35 K N . 15529 1 119 . 1 1 36 36 ILE H H 1 8.90 0.03 . 1 . . . . 36 I HN . 15529 1 120 . 1 1 36 36 ILE CA C 13 60.68 0.4 . 1 . . . . 36 I CA . 15529 1 121 . 1 1 36 36 ILE CB C 13 39.13 0.4 . 1 . . . . 36 I CB . 15529 1 122 . 1 1 36 36 ILE N N 15 123.79 0.4 . 1 . . . . 36 I N . 15529 1 123 . 1 1 37 37 CYS H H 1 8.16 0.03 . 1 . . . . 37 C HN . 15529 1 124 . 1 1 37 37 CYS CA C 13 56.13 0.4 . 1 . . . . 37 C CA . 15529 1 125 . 1 1 37 37 CYS CB C 13 31.22 0.4 . 1 . . . . 37 C CB . 15529 1 126 . 1 1 37 37 CYS N N 15 111.63 0.4 . 1 . . . . 37 C N . 15529 1 127 . 1 1 38 38 SER H H 1 9.36 0.03 . 1 . . . . 38 S HN . 15529 1 128 . 1 1 38 38 SER CA C 13 56.58 0.4 . 1 . . . . 38 S CA . 15529 1 129 . 1 1 38 38 SER CB C 13 66.07 0.4 . 1 . . . . 38 S CB . 15529 1 130 . 1 1 38 38 SER N N 15 114.85 0.4 . 1 . . . . 38 S N . 15529 1 131 . 1 1 39 39 VAL H H 1 9.19 0.03 . 1 . . . . 39 V HN . 15529 1 132 . 1 1 39 39 VAL CA C 13 59.75 0.4 . 1 . . . . 39 V CA . 15529 1 133 . 1 1 39 39 VAL CB C 13 35.71 0.4 . 1 . . . . 39 V CB . 15529 1 134 . 1 1 39 39 VAL N N 15 123.07 0.4 . 1 . . . . 39 V N . 15529 1 135 . 1 1 40 40 LYS H H 1 8.65 0.03 . 1 . . . . 40 K HN . 15529 1 136 . 1 1 40 40 LYS CA C 13 54.36 0.4 . 1 . . . . 40 K CA . 15529 1 137 . 1 1 40 40 LYS CB C 13 37.12 0.4 . 1 . . . . 40 K CB . 15529 1 138 . 1 1 40 40 LYS N N 15 126.70 0.4 . 1 . . . . 40 K N . 15529 1 139 . 1 1 41 41 TYR H H 1 8.77 0.03 . 1 . . . . 41 Y HN . 15529 1 140 . 1 1 41 41 TYR CA C 13 56.29 0.4 . 1 . . . . 41 Y CA . 15529 1 141 . 1 1 41 41 TYR CB C 13 41.47 0.4 . 1 . . . . 41 Y CB . 15529 1 142 . 1 1 41 41 TYR N N 15 124.88 0.4 . 1 . . . . 41 Y N . 15529 1 143 . 1 1 42 42 PHE H H 1 8.09 0.03 . 1 . . . . 42 F HN . 15529 1 144 . 1 1 42 42 PHE CA C 13 56.35 0.4 . 1 . . . . 42 F CA . 15529 1 145 . 1 1 42 42 PHE CB C 13 39.05 0.4 . 1 . . . . 42 F CB . 15529 1 146 . 1 1 42 42 PHE N N 15 126.19 0.4 . 1 . . . . 42 F N . 15529 1 147 . 1 1 43 43 GLU H H 1 8.50 0.03 . 1 . . . . 43 E HN . 15529 1 148 . 1 1 43 43 GLU CA C 13 58.10 0.4 . 1 . . . . 43 E CA . 15529 1 149 . 1 1 43 43 GLU CB C 13 28.88 0.4 . 1 . . . . 43 E CB . 15529 1 150 . 1 1 43 43 GLU N N 15 125.09 0.4 . 1 . . . . 43 E N . 15529 1 151 . 1 1 44 44 LYS H H 1 8.47 0.03 . 1 . . . . 44 K HN . 15529 1 152 . 1 1 44 44 LYS CA C 13 58.98 0.4 . 1 . . . . 44 K CA . 15529 1 153 . 1 1 44 44 LYS CB C 13 31.91 0.4 . 1 . . . . 44 K CB . 15529 1 154 . 1 1 44 44 LYS N N 15 119.33 0.4 . 1 . . . . 44 K N . 15529 1 155 . 1 1 45 45 ASN H H 1 7.04 0.03 . 1 . . . . 45 N HN . 15529 1 156 . 1 1 45 45 ASN CA C 13 51.89 0.4 . 1 . . . . 45 N CA . 15529 1 157 . 1 1 45 45 ASN CB C 13 38.55 0.4 . 1 . . . . 45 N CB . 15529 1 158 . 1 1 45 45 ASN N N 15 112.59 0.4 . 1 . . . . 45 N N . 15529 1 159 . 1 1 46 46 GLN H H 1 7.72 0.03 . 1 . . . . 46 Q HN . 15529 1 160 . 1 1 46 46 GLN CA C 13 57.13 0.4 . 1 . . . . 46 Q CA . 15529 1 161 . 1 1 46 46 GLN CB C 13 26.27 0.4 . 1 . . . . 46 Q CB . 15529 1 162 . 1 1 46 46 GLN N N 15 116.30 0.4 . 1 . . . . 46 Q N . 15529 1 163 . 1 1 47 47 THR H H 1 7.27 0.03 . 1 . . . . 47 T HN . 15529 1 164 . 1 1 47 47 THR CA C 13 60.86 0.4 . 1 . . . . 47 T CA . 15529 1 165 . 1 1 47 47 THR CB C 13 72.43 0.4 . 1 . . . . 47 T CB . 15529 1 166 . 1 1 47 47 THR N N 15 108.69 0.4 . 1 . . . . 47 T N . 15529 1 167 . 1 1 48 48 PHE H H 1 9.16 0.03 . 1 . . . . 48 F HN . 15529 1 168 . 1 1 48 48 PHE CA C 13 56.64 0.4 . 1 . . . . 48 F CA . 15529 1 169 . 1 1 48 48 PHE CB C 13 42.56 0.4 . 1 . . . . 48 F CB . 15529 1 170 . 1 1 48 48 PHE N N 15 118.14 0.4 . 1 . . . . 48 F N . 15529 1 171 . 1 1 49 49 GLU H H 1 9.67 0.03 . 1 . . . . 49 E HN . 15529 1 172 . 1 1 49 49 GLU CA C 13 56.13 0.4 . 1 . . . . 49 E CA . 15529 1 173 . 1 1 49 49 GLU CB C 13 33.03 0.4 . 1 . . . . 49 E CB . 15529 1 174 . 1 1 49 49 GLU N N 15 122.18 0.4 . 1 . . . . 49 E N . 15529 1 175 . 1 1 50 50 LEU H H 1 9.64 0.03 . 1 . . . . 50 L HN . 15529 1 176 . 1 1 50 50 LEU CA C 13 53.91 0.4 . 1 . . . . 50 L CA . 15529 1 177 . 1 1 50 50 LEU CB C 13 45.82 0.4 . 1 . . . . 50 L CB . 15529 1 178 . 1 1 50 50 LEU N N 15 133.20 0.4 . 1 . . . . 50 L N . 15529 1 179 . 1 1 51 51 THR H H 1 9.71 0.03 . 1 . . . . 51 T HN . 15529 1 180 . 1 1 51 51 THR CA C 13 62.33 0.4 . 1 . . . . 51 T CA . 15529 1 181 . 1 1 51 51 THR CB C 13 69.68 0.4 . 1 . . . . 51 T CB . 15529 1 182 . 1 1 51 51 THR N N 15 125.83 0.4 . 1 . . . . 51 T N . 15529 1 183 . 1 1 52 52 VAL H H 1 9.05 0.03 . 1 . . . . 52 V HN . 15529 1 184 . 1 1 52 52 VAL CA C 13 62.35 0.4 . 1 . . . . 52 V CA . 15529 1 185 . 1 1 52 52 VAL CB C 13 34.21 0.4 . 1 . . . . 52 V CB . 15529 1 186 . 1 1 52 52 VAL N N 15 126.68 0.4 . 1 . . . . 52 V N . 15529 1 187 . 1 1 53 53 PHE H H 1 7.58 0.03 . 1 . . . . 53 F HN . 15529 1 188 . 1 1 53 53 PHE CA C 13 57.49 0.4 . 1 . . . . 53 F CA . 15529 1 189 . 1 1 53 53 PHE CB C 13 39.42 0.4 . 1 . . . . 53 F CB . 15529 1 190 . 1 1 53 53 PHE N N 15 126.67 0.4 . 1 . . . . 53 F N . 15529 1 191 . 1 1 54 54 GLN H H 1 8.85 0.03 . 1 . . . . 54 Q HN . 15529 1 192 . 1 1 54 54 GLN CA C 13 54.95 0.4 . 1 . . . . 54 Q CA . 15529 1 193 . 1 1 54 54 GLN CB C 13 31.26 0.4 . 1 . . . . 54 Q CB . 15529 1 194 . 1 1 54 54 GLN N N 15 122.21 0.4 . 1 . . . . 54 Q N . 15529 1 195 . 1 1 55 55 LYS H H 1 8.73 0.03 . 1 . . . . 55 K HN . 15529 1 196 . 1 1 55 55 LYS CA C 13 58.20 0.4 . 1 . . . . 55 K CA . 15529 1 197 . 1 1 55 55 LYS CB C 13 31.91 0.4 . 1 . . . . 55 K CB . 15529 1 198 . 1 1 55 55 LYS N N 15 124.96 0.4 . 1 . . . . 55 K N . 15529 1 199 . 1 1 56 56 GLY H H 1 8.85 0.03 . 1 . . . . 56 G HN . 15529 1 200 . 1 1 56 56 GLY CA C 13 45.61 0.4 . 1 . . . . 56 G CA . 15529 1 201 . 1 1 56 56 GLY N N 15 112.88 0.4 . 1 . . . . 56 G N . 15529 1 202 . 1 1 57 57 GLU H H 1 7.93 0.03 . 1 . . . . 57 E HN . 15529 1 203 . 1 1 57 57 GLU CA C 13 54.36 0.4 . 1 . . . . 57 E CA . 15529 1 204 . 1 1 57 57 GLU CB C 13 32.93 0.4 . 1 . . . . 57 E CB . 15529 1 205 . 1 1 57 57 GLU N N 15 118.55 0.4 . 1 . . . . 57 E N . 15529 1 206 . 1 1 58 58 LYS H H 1 8.67 0.03 . 1 . . . . 58 K HN . 15529 1 207 . 1 1 58 58 LYS CA C 13 54.81 0.4 . 1 . . . . 58 K CA . 15529 1 208 . 1 1 58 58 LYS CB C 13 31.87 0.4 . 1 . . . . 58 K CB . 15529 1 209 . 1 1 58 58 LYS N N 15 122.98 0.4 . 1 . . . . 58 K N . 15529 1 210 . 1 1 60 60 ASN H H 1 7.89 0.03 . 1 . . . . 60 N HN . 15529 1 211 . 1 1 60 60 ASN CA C 13 52.37 0.4 . 1 . . . . 60 N CA . 15529 1 212 . 1 1 60 60 ASN CB C 13 42.39 0.4 . 1 . . . . 60 N CB . 15529 1 213 . 1 1 60 60 ASN N N 15 119.22 0.4 . 1 . . . . 60 N N . 15529 1 214 . 1 1 61 61 THR H H 1 8.22 0.03 . 1 . . . . 61 T HN . 15529 1 215 . 1 1 61 61 THR CA C 13 61.26 0.4 . 1 . . . . 61 T CA . 15529 1 216 . 1 1 61 61 THR CB C 13 71.12 0.4 . 1 . . . . 61 T CB . 15529 1 217 . 1 1 61 61 THR N N 15 117.44 0.4 . 1 . . . . 61 T N . 15529 1 218 . 1 1 62 62 TYR H H 1 9.32 0.03 . 1 . . . . 62 Y HN . 15529 1 219 . 1 1 62 62 TYR CA C 13 54.39 0.4 . 1 . . . . 62 Y CA . 15529 1 220 . 1 1 62 62 TYR CB C 13 41.42 0.4 . 1 . . . . 62 Y CB . 15529 1 221 . 1 1 62 62 TYR N N 15 124.74 0.4 . 1 . . . . 62 Y N . 15529 1 222 . 1 1 64 64 PHE H H 1 9.15 0.03 . 1 . . . . 64 F HN . 15529 1 223 . 1 1 64 64 PHE CA C 13 57.89 0.4 . 1 . . . . 64 F CA . 15529 1 224 . 1 1 64 64 PHE CB C 13 44.94 0.4 . 1 . . . . 64 F CB . 15529 1 225 . 1 1 64 64 PHE N N 15 117.67 0.4 . 1 . . . . 64 F N . 15529 1 226 . 1 1 65 65 ASP H H 1 8.97 0.03 . 1 . . . . 65 D HN . 15529 1 227 . 1 1 65 65 ASP CA C 13 53.32 0.4 . 1 . . . . 65 D CA . 15529 1 228 . 1 1 65 65 ASP CB C 13 41.48 0.4 . 1 . . . . 65 D CB . 15529 1 229 . 1 1 65 65 ASP N N 15 120.18 0.4 . 1 . . . . 65 D N . 15529 1 230 . 1 1 66 66 ASN H H 1 7.40 0.03 . 1 . . . . 66 N HN . 15529 1 231 . 1 1 66 66 ASN CA C 13 53.08 0.4 . 1 . . . . 66 N CA . 15529 1 232 . 1 1 66 66 ASN CB C 13 42.38 0.4 . 1 . . . . 66 N CB . 15529 1 233 . 1 1 66 66 ASN N N 15 115.42 0.4 . 1 . . . . 66 N N . 15529 1 234 . 1 1 67 67 ILE H H 1 9.26 0.03 . 1 . . . . 67 I HN . 15529 1 235 . 1 1 67 67 ILE CA C 13 63.72 0.4 . 1 . . . . 67 I CA . 15529 1 236 . 1 1 67 67 ILE CB C 13 38.37 0.4 . 1 . . . . 67 I CB . 15529 1 237 . 1 1 67 67 ILE N N 15 125.88 0.4 . 1 . . . . 67 I N . 15529 1 238 . 1 1 68 68 ASP H H 1 7.98 0.03 . 1 . . . . 68 D HN . 15529 1 239 . 1 1 68 68 ASP CA C 13 57.90 0.4 . 1 . . . . 68 D CA . 15529 1 240 . 1 1 68 68 ASP CB C 13 41.71 0.4 . 1 . . . . 68 D CB . 15529 1 241 . 1 1 68 68 ASP N N 15 126.09 0.4 . 1 . . . . 68 D N . 15529 1 242 . 1 1 69 69 MET H H 1 7.76 0.03 . 1 . . . . 69 M HN . 15529 1 243 . 1 1 69 69 MET CA C 13 57.74 0.4 . 1 . . . . 69 M CA . 15529 1 244 . 1 1 69 69 MET CB C 13 31.93 0.4 . 1 . . . . 69 M CB . 15529 1 245 . 1 1 69 69 MET N N 15 116.26 0.4 . 1 . . . . 69 M N . 15529 1 246 . 1 1 70 70 VAL H H 1 7.13 0.03 . 1 . . . . 70 V HN . 15529 1 247 . 1 1 70 70 VAL CA C 13 63.76 0.4 . 1 . . . . 70 V CA . 15529 1 248 . 1 1 70 70 VAL CB C 13 30.49 0.4 . 1 . . . . 70 V CB . 15529 1 249 . 1 1 70 70 VAL N N 15 116.96 0.4 . 1 . . . . 70 V N . 15529 1 250 . 1 1 71 71 SER H H 1 7.26 0.03 . 1 . . . . 71 S HN . 15529 1 251 . 1 1 71 71 SER CA C 13 63.75 0.4 . 1 . . . . 71 S CA . 15529 1 252 . 1 1 71 71 SER CB C 13 61.99 0.4 . 1 . . . . 71 S CB . 15529 1 253 . 1 1 71 71 SER N N 15 119.63 0.4 . 1 . . . . 71 S N . 15529 1 254 . 1 1 72 72 ILE H H 1 7.37 0.03 . 1 . . . . 72 I HN . 15529 1 255 . 1 1 72 72 ILE CA C 13 66.18 0.4 . 1 . . . . 72 I CA . 15529 1 256 . 1 1 72 72 ILE CB C 13 38.54 0.4 . 1 . . . . 72 I CB . 15529 1 257 . 1 1 72 72 ILE N N 15 121.14 0.4 . 1 . . . . 72 I N . 15529 1 258 . 1 1 73 73 GLU H H 1 7.02 0.03 . 1 . . . . 73 E HN . 15529 1 259 . 1 1 73 73 GLU CA C 13 59.35 0.4 . 1 . . . . 73 E CA . 15529 1 260 . 1 1 73 73 GLU CB C 13 28.76 0.4 . 1 . . . . 73 E CB . 15529 1 261 . 1 1 73 73 GLU N N 15 118.86 0.4 . 1 . . . . 73 E N . 15529 1 262 . 1 1 74 74 ILE H H 1 7.91 0.03 . 1 . . . . 74 I HN . 15529 1 263 . 1 1 74 74 ILE CA C 13 57.67 0.4 . 1 . . . . 74 I CA . 15529 1 264 . 1 1 74 74 ILE CB C 13 42.21 0.4 . 1 . . . . 74 I CB . 15529 1 265 . 1 1 74 74 ILE N N 15 120.70 0.4 . 1 . . . . 74 I N . 15529 1 266 . 1 1 75 75 PHE H H 1 8.04 0.03 . 1 . . . . 75 F HN . 15529 1 267 . 1 1 75 75 PHE CA C 13 56.80 0.4 . 1 . . . . 75 F CA . 15529 1 268 . 1 1 75 75 PHE CB C 13 41.06 0.4 . 1 . . . . 75 F CB . 15529 1 269 . 1 1 75 75 PHE N N 15 117.46 0.4 . 1 . . . . 75 F N . 15529 1 270 . 1 1 76 76 GLU H H 1 7.62 0.03 . 1 . . . . 76 E HN . 15529 1 271 . 1 1 76 76 GLU CA C 13 56.29 0.4 . 1 . . . . 76 E CA . 15529 1 272 . 1 1 76 76 GLU CB C 13 28.27 0.4 . 1 . . . . 76 E CB . 15529 1 273 . 1 1 76 76 GLU N N 15 116.94 0.4 . 1 . . . . 76 E N . 15529 1 274 . 1 1 77 77 LEU H H 1 7.70 0.03 . 1 . . . . 77 L HN . 15529 1 275 . 1 1 77 77 LEU CA C 13 56.69 0.4 . 1 . . . . 77 L CA . 15529 1 276 . 1 1 77 77 LEU CB C 13 41.82 0.4 . 1 . . . . 77 L CB . 15529 1 277 . 1 1 77 77 LEU N N 15 119.98 0.4 . 1 . . . . 77 L N . 15529 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 15529 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 4 '2D IPAP 1H,15N-HSQC' . . . 15529 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $NMRDraw . . 15529 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 10 10 ARG HN H 1 . . 1 1 10 10 ARG N N 15 . -3.19 . . 2.0 . . . . . . . . . . . 15529 1 2 DNH . 1 1 11 11 LEU HN H 1 . . 1 1 11 11 LEU N N 15 . -13.10 . . 2.0 . . . . . . . . . . . 15529 1 3 DNH . 1 1 13 13 SER HN H 1 . . 1 1 13 13 SER N N 15 . -1.28 . . 2.0 . . . . . . . . . . . 15529 1 4 DNH . 1 1 15 15 GLN HN H 1 . . 1 1 15 15 GLN N N 15 . -10.50 . . 2.0 . . . . . . . . . . . 15529 1 5 DNH . 1 1 16 16 GLU HN H 1 . . 1 1 16 16 GLU N N 15 . -4.09 . . 2.0 . . . . . . . . . . . 15529 1 6 DNH . 1 1 30 30 GLU HN H 1 . . 1 1 30 30 GLU N N 15 . 2.41 . . 2.0 . . . . . . . . . . . 15529 1 7 DNH . 1 1 17 17 THR HN H 1 . . 1 1 17 17 THR N N 15 . -0.46 . . 2.0 . . . . . . . . . . . 15529 1 8 DNH . 1 1 31 31 VAL HN H 1 . . 1 1 31 31 VAL N N 15 . -4.68 . . 2.0 . . . . . . . . . . . 15529 1 9 DNH . 1 1 18 18 ALA HN H 1 . . 1 1 18 18 ALA N N 15 . -7.46 . . 2.0 . . . . . . . . . . . 15529 1 10 DNH . 1 1 19 19 GLU HN H 1 . . 1 1 19 19 GLU N N 15 . -5.87 . . 2.0 . . . . . . . . . . . 15529 1 11 DNH . 1 1 32 32 ASN HN H 1 . . 1 1 32 32 ASN N N 15 . -5.20 . . 2.0 . . . . . . . . . . . 15529 1 12 DNH . 1 1 33 33 GLY HN H 1 . . 1 1 33 33 GLY N N 15 . 1.70 . . 2.0 . . . . . . . . . . . 15529 1 13 DNH . 1 1 34 34 GLU HN H 1 . . 1 1 34 34 GLU N N 15 . -15.55 . . 2.0 . . . . . . . . . . . 15529 1 14 DNH . 1 1 35 35 LYS HN H 1 . . 1 1 35 35 LYS N N 15 . -8.03 . . 2.0 . . . . . . . . . . . 15529 1 15 DNH . 1 1 36 36 ILE HN H 1 . . 1 1 36 36 ILE N N 15 . 4.29 . . 2.0 . . . . . . . . . . . 15529 1 16 DNH . 1 1 37 37 CYS HN H 1 . . 1 1 37 37 CYS N N 15 . 7.20 . . 2.0 . . . . . . . . . . . 15529 1 17 DNH . 1 1 50 50 LEU HN H 1 . . 1 1 50 50 LEU N N 15 . 7.49 . . 2.0 . . . . . . . . . . . 15529 1 18 DNH . 1 1 51 51 THR HN H 1 . . 1 1 51 51 THR N N 15 . 6.90 . . 2.0 . . . . . . . . . . . 15529 1 19 DNH . 1 1 38 38 SER HN H 1 . . 1 1 38 38 SER N N 15 . 7.44 . . 2.0 . . . . . . . . . . . 15529 1 20 DNH . 1 1 52 52 VAL HN H 1 . . 1 1 52 52 VAL N N 15 . 4.72 . . 2.0 . . . . . . . . . . . 15529 1 21 DNH . 1 1 39 39 VAL HN H 1 . . 1 1 39 39 VAL N N 15 . 7.96 . . 2.0 . . . . . . . . . . . 15529 1 22 DNH . 1 1 53 53 PHE HN H 1 . . 1 1 53 53 PHE N N 15 . -3.28 . . 2.0 . . . . . . . . . . . 15529 1 23 DNH . 1 1 54 54 GLN HN H 1 . . 1 1 54 54 GLN N N 15 . -10.13 . . 2.0 . . . . . . . . . . . 15529 1 24 DNH . 1 1 55 55 LYS HN H 1 . . 1 1 55 55 LYS N N 15 . -11.04 . . 2.0 . . . . . . . . . . . 15529 1 25 DNH . 1 1 56 56 GLY HN H 1 . . 1 1 56 56 GLY N N 15 . 1.50 . . 2.0 . . . . . . . . . . . 15529 1 26 DNH . 1 1 70 70 VAL HN H 1 . . 1 1 70 70 VAL N N 15 . 8.57 . . 2.0 . . . . . . . . . . . 15529 1 27 DNH . 1 1 57 57 GLU HN H 1 . . 1 1 57 57 GLU N N 15 . -1.23 . . 2.0 . . . . . . . . . . . 15529 1 28 DNH . 1 1 58 58 LYS HN H 1 . . 1 1 58 58 LYS N N 15 . 4.45 . . 2.0 . . . . . . . . . . . 15529 1 29 DNH . 1 1 71 71 SER HN H 1 . . 1 1 71 71 SER N N 15 . 8.71 . . 2.0 . . . . . . . . . . . 15529 1 30 DNH . 1 1 72 72 ILE HN H 1 . . 1 1 72 72 ILE N N 15 . 9.26 . . 2.0 . . . . . . . . . . . 15529 1 31 DNH . 1 1 73 73 GLU HN H 1 . . 1 1 73 73 GLU N N 15 . 6.30 . . 2.0 . . . . . . . . . . . 15529 1 32 DNH . 1 1 74 74 ILE HN H 1 . . 1 1 74 74 ILE N N 15 . 9.74 . . 2.0 . . . . . . . . . . . 15529 1 33 DNH . 1 1 6 6 GLY HN H 1 . . 1 1 6 6 GLY N N 15 . -3.25 . . 2.0 . . . . . . . . . . . 15529 1 34 DNH . 1 1 75 75 PHE HN H 1 . . 1 1 75 75 PHE N N 15 . 11.16 . . 2.0 . . . . . . . . . . . 15529 1 35 DNH . 1 1 76 76 GLU HN H 1 . . 1 1 76 76 GLU N N 15 . 7.89 . . 2.0 . . . . . . . . . . . 15529 1 36 DNH . 1 1 8 8 ILE HN H 1 . . 1 1 8 8 ILE N N 15 . -12.50 . . 2.0 . . . . . . . . . . . 15529 1 37 DNH . 1 1 9 9 THR HN H 1 . . 1 1 9 9 THR N N 15 . -6.15 . . 2.0 . . . . . . . . . . . 15529 1 38 DNH . 1 1 20 20 ALA HN H 1 . . 1 1 20 20 ALA N N 15 . -3.13 . . 2.0 . . . . . . . . . . . 15529 1 39 DNH . 1 1 21 21 ALA HN H 1 . . 1 1 21 21 ALA N N 15 . -2.96 . . 2.0 . . . . . . . . . . . 15529 1 40 DNH . 1 1 22 22 ASN HN H 1 . . 1 1 22 22 ASN N N 15 . -10.88 . . 2.0 . . . . . . . . . . . 15529 1 41 DNH . 1 1 23 23 GLU HN H 1 . . 1 1 23 23 GLU N N 15 . -6.56 . . 2.0 . . . . . . . . . . . 15529 1 42 DNH . 1 1 40 40 LYS HN H 1 . . 1 1 40 40 LYS N N 15 . 6.06 . . 2.0 . . . . . . . . . . . 15529 1 43 DNH . 1 1 41 41 TYR HN H 1 . . 1 1 41 41 TYR N N 15 . 1.47 . . 2.0 . . . . . . . . . . . 15529 1 44 DNH . 1 1 28 28 TYR HN H 1 . . 1 1 28 28 TYR N N 15 . 6.71 . . 2.0 . . . . . . . . . . . 15529 1 45 DNH . 1 1 42 42 PHE HN H 1 . . 1 1 42 42 PHE N N 15 . -6.19 . . 2.0 . . . . . . . . . . . 15529 1 46 DNH . 1 1 29 29 PHE HN H 1 . . 1 1 29 29 PHE N N 15 . 2.79 . . 2.0 . . . . . . . . . . . 15529 1 47 DNH . 1 1 43 43 GLU HN H 1 . . 1 1 43 43 GLU N N 15 . -3.74 . . 2.0 . . . . . . . . . . . 15529 1 48 DNH . 1 1 45 45 ASN HN H 1 . . 1 1 45 45 ASN N N 15 . 5.87 . . 2.0 . . . . . . . . . . . 15529 1 49 DNH . 1 1 60 60 ASN HN H 1 . . 1 1 60 60 ASN N N 15 . -2.75 . . 2.0 . . . . . . . . . . . 15529 1 50 DNH . 1 1 47 47 THR HN H 1 . . 1 1 47 47 THR N N 15 . -11.96 . . 2.0 . . . . . . . . . . . 15529 1 51 DNH . 1 1 48 48 PHE HN H 1 . . 1 1 48 48 PHE N N 15 . -2.12 . . 2.0 . . . . . . . . . . . 15529 1 52 DNH . 1 1 61 61 THR HN H 1 . . 1 1 61 61 THR N N 15 . 0.83 . . 2.0 . . . . . . . . . . . 15529 1 53 DNH . 1 1 49 49 GLU HN H 1 . . 1 1 49 49 GLU N N 15 . 4.54 . . 2.0 . . . . . . . . . . . 15529 1 54 DNH . 1 1 62 62 TYR HN H 1 . . 1 1 62 62 TYR N N 15 . 7.05 . . 2.0 . . . . . . . . . . . 15529 1 55 DNH . 1 1 64 64 PHE HN H 1 . . 1 1 64 64 PHE N N 15 . -0.98 . . 2.0 . . . . . . . . . . . 15529 1 56 DNH . 1 1 65 65 ASP HN H 1 . . 1 1 65 65 ASP N N 15 . -0.58 . . 2.0 . . . . . . . . . . . 15529 1 57 DNH . 1 1 66 66 ASN HN H 1 . . 1 1 66 66 ASN N N 15 . 0.12 . . 2.0 . . . . . . . . . . . 15529 1 58 DNH . 1 1 67 67 ILE HN H 1 . . 1 1 67 67 ILE N N 15 . 8.40 . . 2.0 . . . . . . . . . . . 15529 1 59 DNH . 1 1 68 68 ASP HN H 1 . . 1 1 68 68 ASP N N 15 . 9.24 . . 2.0 . . . . . . . . . . . 15529 1 stop_ save_ save_RDC_list_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_2 _RDC_list.Entry_ID 15529 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 5 '2D IPAP 1H-15N HSQC' . . . 15529 2 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $NMRDraw . . 15529 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 4 4 LEU N N 15 . . 1 1 4 4 LEU HN H 1 . 0.85 . . 2.0 . . . . . . . . . . . 15529 2 2 DNH . 1 1 5 5 MET N N 15 . . 1 1 5 5 MET HN H 1 . -22.44 . . 2.0 . . . . . . . . . . . 15529 2 3 DNH . 1 1 6 6 GLY N N 15 . . 1 1 6 6 GLY HN H 1 . -19.06 . . 2.0 . . . . . . . . . . . 15529 2 4 DNH . 1 1 9 9 THR N N 15 . . 1 1 9 9 THR HN H 1 . -21.75 . . 2.0 . . . . . . . . . . . 15529 2 5 DNH . 1 1 10 10 ARG N N 15 . . 1 1 10 10 ARG HN H 1 . -15.68 . . 2.0 . . . . . . . . . . . 15529 2 6 DNH . 1 1 11 11 LEU N N 15 . . 1 1 11 11 LEU HN H 1 . -6.96 . . 2.0 . . . . . . . . . . . 15529 2 7 DNH . 1 1 12 12 GLN N N 15 . . 1 1 12 12 GLN HN H 1 . -19.95 . . 2.0 . . . . . . . . . . . 15529 2 8 DNH . 1 1 13 13 SER N N 15 . . 1 1 13 13 SER HN H 1 . -18.45 . . 2.0 . . . . . . . . . . . 15529 2 9 DNH . 1 1 16 16 GLU N N 15 . . 1 1 16 16 GLU HN H 1 . -19.77 . . 2.0 . . . . . . . . . . . 15529 2 10 DNH . 1 1 17 17 THR N N 15 . . 1 1 17 17 THR HN H 1 . -16.95 . . 2.0 . . . . . . . . . . . 15529 2 11 DNH . 1 1 18 18 ALA N N 15 . . 1 1 18 18 ALA HN H 1 . -4.56 . . 2.0 . . . . . . . . . . . 15529 2 12 DNH . 1 1 20 20 ALA N N 15 . . 1 1 20 20 ALA HN H 1 . -14.67 . . 2.0 . . . . . . . . . . . 15529 2 13 DNH . 1 1 22 22 ASN N N 15 . . 1 1 22 22 ASN HN H 1 . 3.91 . . 2.0 . . . . . . . . . . . 15529 2 14 DNH . 1 1 28 28 TYR N N 15 . . 1 1 28 28 TYR HN H 1 . -0.08 . . 2.0 . . . . . . . . . . . 15529 2 15 DNH . 1 1 29 29 PHE N N 15 . . 1 1 29 29 PHE HN H 1 . -12.24 . . 2.0 . . . . . . . . . . . 15529 2 16 DNH . 1 1 30 30 GLU N N 15 . . 1 1 30 30 GLU HN H 1 . -4.37 . . 2.0 . . . . . . . . . . . 15529 2 17 DNH . 1 1 32 32 ASN N N 15 . . 1 1 32 32 ASN HN H 1 . 10.35 . . 2.0 . . . . . . . . . . . 15529 2 18 DNH . 1 1 33 33 GLY N N 15 . . 1 1 33 33 GLY HN H 1 . 15.17 . . 2.0 . . . . . . . . . . . 15529 2 19 DNH . 1 1 34 34 GLU N N 15 . . 1 1 34 34 GLU HN H 1 . 7.79 . . 2.0 . . . . . . . . . . . 15529 2 20 DNH . 1 1 35 35 LYS N N 15 . . 1 1 35 35 LYS HN H 1 . 25.78 . . 2.0 . . . . . . . . . . . 15529 2 21 DNH . 1 1 36 36 ILE N N 15 . . 1 1 36 36 ILE HN H 1 . -8.67 . . 2.0 . . . . . . . . . . . 15529 2 22 DNH . 1 1 37 37 CYS N N 15 . . 1 1 37 37 CYS HN H 1 . -10.99 . . 2.0 . . . . . . . . . . . 15529 2 23 DNH . 1 1 38 38 SER N N 15 . . 1 1 38 38 SER HN H 1 . -10.48 . . 2.0 . . . . . . . . . . . 15529 2 24 DNH . 1 1 39 39 VAL N N 15 . . 1 1 39 39 VAL HN H 1 . -2.73 . . 2.0 . . . . . . . . . . . 15529 2 25 DNH . 1 1 40 40 LYS N N 15 . . 1 1 40 40 LYS HN H 1 . -3.45 . . 2.0 . . . . . . . . . . . 15529 2 26 DNH . 1 1 41 41 TYR N N 15 . . 1 1 41 41 TYR HN H 1 . 7.71 . . 2.0 . . . . . . . . . . . 15529 2 27 DNH . 1 1 42 42 PHE N N 15 . . 1 1 42 42 PHE HN H 1 . 8.37 . . 2.0 . . . . . . . . . . . 15529 2 28 DNH . 1 1 43 43 GLU N N 15 . . 1 1 43 43 GLU HN H 1 . 26.00 . . 2.0 . . . . . . . . . . . 15529 2 29 DNH . 1 1 48 48 PHE N N 15 . . 1 1 48 48 PHE HN H 1 . 14.14 . . 2.0 . . . . . . . . . . . 15529 2 30 DNH . 1 1 49 49 GLU N N 15 . . 1 1 49 49 GLU HN H 1 . -2.61 . . 2.0 . . . . . . . . . . . 15529 2 31 DNH . 1 1 50 50 LEU N N 15 . . 1 1 50 50 LEU HN H 1 . 3.45 . . 2.0 . . . . . . . . . . . 15529 2 32 DNH . 1 1 51 51 THR N N 15 . . 1 1 51 51 THR HN H 1 . -11.91 . . 2.0 . . . . . . . . . . . 15529 2 33 DNH . 1 1 52 52 VAL N N 15 . . 1 1 52 52 VAL HN H 1 . -16.11 . . 2.0 . . . . . . . . . . . 15529 2 34 DNH . 1 1 53 53 PHE N N 15 . . 1 1 53 53 PHE HN H 1 . -10.08 . . 2.0 . . . . . . . . . . . 15529 2 35 DNH . 1 1 54 54 GLN N N 15 . . 1 1 54 54 GLN HN H 1 . -7.11 . . 2.0 . . . . . . . . . . . 15529 2 36 DNH . 1 1 55 55 LYS N N 15 . . 1 1 55 55 LYS HN H 1 . -3.82 . . 2.0 . . . . . . . . . . . 15529 2 37 DNH . 1 1 56 56 GLY N N 15 . . 1 1 56 56 GLY HN H 1 . -2.56 . . 2.0 . . . . . . . . . . . 15529 2 38 DNH . 1 1 58 58 LYS N N 15 . . 1 1 58 58 LYS HN H 1 . -8.26 . . 2.0 . . . . . . . . . . . 15529 2 39 DNH . 1 1 61 61 THR N N 15 . . 1 1 61 61 THR HN H 1 . -13.29 . . 2.0 . . . . . . . . . . . 15529 2 40 DNH . 1 1 62 62 TYR N N 15 . . 1 1 62 62 TYR HN H 1 . -9.37 . . 2.0 . . . . . . . . . . . 15529 2 41 DNH . 1 1 64 64 PHE N N 15 . . 1 1 64 64 PHE HN H 1 . 7.41 . . 2.0 . . . . . . . . . . . 15529 2 42 DNH . 1 1 65 65 ASP N N 15 . . 1 1 65 65 ASP HN H 1 . -0.86 . . 2.0 . . . . . . . . . . . 15529 2 43 DNH . 1 1 66 66 ASN N N 15 . . 1 1 66 66 ASN HN H 1 . -1.87 . . 2.0 . . . . . . . . . . . 15529 2 44 DNH . 1 1 67 67 ILE N N 15 . . 1 1 67 67 ILE HN H 1 . -5.44 . . 2.0 . . . . . . . . . . . 15529 2 45 DNH . 1 1 68 68 ASP N N 15 . . 1 1 68 68 ASP HN H 1 . 3.15 . . 2.0 . . . . . . . . . . . 15529 2 46 DNH . 1 1 70 70 VAL N N 15 . . 1 1 70 70 VAL HN H 1 . -8.21 . . 2.0 . . . . . . . . . . . 15529 2 47 DNH . 1 1 71 71 SER N N 15 . . 1 1 71 71 SER HN H 1 . 9.85 . . 2.0 . . . . . . . . . . . 15529 2 48 DNH . 1 1 72 72 ILE N N 15 . . 1 1 72 72 ILE HN H 1 . -1.01 . . 2.0 . . . . . . . . . . . 15529 2 49 DNH . 1 1 73 73 GLU N N 15 . . 1 1 73 73 GLU HN H 1 . -13.04 . . 2.0 . . . . . . . . . . . 15529 2 50 DNH . 1 1 74 74 ILE N N 15 . . 1 1 74 74 ILE HN H 1 . -7.78 . . 2.0 . . . . . . . . . . . 15529 2 51 DNH . 1 1 76 76 GLU N N 15 . . 1 1 76 76 GLU HN H 1 . -4.13 . . 2.0 . . . . . . . . . . . 15529 2 52 DNH . 1 1 77 77 LEU N N 15 . . 1 1 77 77 LEU HN H 1 . -11.17 . . 2.0 . . . . . . . . . . . 15529 2 stop_ save_