data_15638 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15638 _Entry.Title ; Backbone 1H, 15N and 13C assignment of Rv1567c, an integral membrane protein from Mycobacterium tuberculosis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-01-25 _Entry.Accession_date 2008-01-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hau Nguyen . B. . 15638 2 Timothy Cross . A. . 15638 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'TB Structural Genomics Consortium' . 15638 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15638 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 166 15638 '15N chemical shifts' 83 15638 '1H chemical shifts' 83 15638 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-08-13 2008-01-25 update BMRB 'added PubMed ID' 15638 1 . . 2008-06-05 2008-01-25 original author 'original release' 15638 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15638 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636922 _Citation.Full_citation . _Citation.Title '1H, 15N and 13C backbone resonance assignment of Rv1567c, an integral membrane protein from Mycobacterium tuberculosis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 47 _Citation.Page_last 49 _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 Hau Nguyen . B. . 15638 1 2 Timothy Cross . A. . 15638 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'backbone assignment' 15638 1 'integral membrane protein' 15638 1 'Mycobacterium tuberculosis' 15638 1 'solution NMR' 15638 1 'structural genomics' 15638 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15638 _Assembly.ID 1 _Assembly.Name 'Rv1567c monomer' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Rv1567c 1 $Rv1567c A . yes native no no . . . 15638 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rv1567c _Entity.Sf_category entity _Entity.Sf_framecode Rv1567c _Entity.Entry_ID 15638 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rv1567c _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 ; GSHMVTMTSWPSRLFAFTDN VCPPDACPLVPFGVNYYIYP VMWGGIGAAIATAVIGPFVS MLKGWYMSFWPIISIAVITV TSIAGYAIAGFSERYWH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '1, M' _Entity.Polymer_author_seq_details 'Residue 1 to 3 (GSH) represent cloning artifact residues' _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10362.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Integral membrane protein from Mycobacterium tuberculosis strain H37Rv' _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 yes GB 886349 . Rv1567c . . . . . . . . . . . . . . 15638 1 2 yes SWS O06623 . Rv1567c . . . . . . . . . . . . . . 15638 1 3 no DBJ BAH25883 . "hypothetical membrane protein [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 96.91 94 100.00 100.00 3.17e-59 . . . . 15638 1 4 no DBJ BAL65539 . "hypothetical protein ERDMAN_1743 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 96.91 94 100.00 100.00 3.17e-59 . . . . 15638 1 5 no DBJ BAQ05567 . "hypothetical protein KURONO_1768 [Mycobacterium tuberculosis str. Kurono]" . . . . . 96.91 94 100.00 100.00 3.17e-59 . . . . 15638 1 6 no DBJ GAA45311 . "hypothetical protein NCGM2209_1934 [Mycobacterium tuberculosis NCGM2209]" . . . . . 96.91 107 100.00 100.00 1.40e-59 . . . . 15638 1 7 no EMBL CAL71607 . "hypothetical membrane protein [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 96.91 94 100.00 100.00 3.17e-59 . . . . 15638 1 8 no EMBL CCC26666 . "putative hypothetical membrane protein [Mycobacterium africanum GM041182]" . . . . . 96.91 94 98.94 100.00 5.34e-59 . . . . 15638 1 9 no EMBL CCC43922 . "putative hypothetical membrane protein [Mycobacterium canettii CIPT 140010059]" . . . . . 96.91 94 100.00 100.00 3.17e-59 . . . . 15638 1 10 no EMBL CCC64180 . "hypothetical membrane protein [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 96.91 94 100.00 100.00 3.17e-59 . . . . 15638 1 11 no EMBL CCE37081 . "unnamed protein product [Mycobacterium tuberculosis UT205]" . . . . . 96.91 94 100.00 100.00 3.17e-59 . . . . 15638 1 12 no GB AAB96955 . "unknown [Mycobacterium bovis BCG]" . . . . . 96.91 190 100.00 100.00 1.77e-59 . . . . 15638 1 13 no GB AAK45885 . "conserved hypothetical protein [Mycobacterium tuberculosis CDC1551]" . . . . . 96.91 94 100.00 100.00 3.17e-59 . . . . 15638 1 14 no GB ABQ73324 . "putative hypothetical membrane protein [Mycobacterium tuberculosis H37Ra]" . . . . . 96.91 94 100.00 100.00 3.17e-59 . . . . 15638 1 15 no GB ABR05943 . "hypothetical membrane protein [Mycobacterium tuberculosis F11]" . . . . . 96.91 190 100.00 100.00 1.60e-59 . . . . 15638 1 16 no GB ACT25484 . "hypothetical membrane protein [Mycobacterium tuberculosis KZN 1435]" . . . . . 96.91 190 100.00 100.00 1.68e-59 . . . . 15638 1 17 no REF NP_216083 . "membrane protein [Mycobacterium tuberculosis H37Rv]" . . . . . 96.91 94 100.00 100.00 3.17e-59 . . . . 15638 1 18 no REF NP_855246 . "hypothetical protein Mb1594c [Mycobacterium bovis AF2122/97]" . . . . . 96.91 94 100.00 100.00 3.17e-59 . . . . 15638 1 19 no REF WP_003407802 . "MULTISPECIES: membrane protein [Mycobacterium tuberculosis complex]" . . . . . 96.91 94 100.00 100.00 3.17e-59 . . . . 15638 1 20 no REF WP_003911567 . "MULTISPECIES: membrane protein [Mycobacterium tuberculosis complex]" . . . . . 96.91 149 100.00 100.00 1.53e-59 . . . . 15638 1 21 no REF WP_020424437 . "MULTISPECIES: membrane protein [Mycobacterium tuberculosis complex]" . . . . . 96.91 149 100.00 100.00 1.55e-59 . . . . 15638 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 -2 GLY . 15638 1 2 -1 SER . 15638 1 3 0 HIS . 15638 1 4 1 MET . 15638 1 5 2 VAL . 15638 1 6 3 THR . 15638 1 7 4 MET . 15638 1 8 5 THR . 15638 1 9 6 SER . 15638 1 10 7 TRP . 15638 1 11 8 PRO . 15638 1 12 9 SER . 15638 1 13 10 ARG . 15638 1 14 11 LEU . 15638 1 15 12 PHE . 15638 1 16 13 ALA . 15638 1 17 14 PHE . 15638 1 18 15 THR . 15638 1 19 16 ASP . 15638 1 20 17 ASN . 15638 1 21 18 VAL . 15638 1 22 19 CYS . 15638 1 23 20 PRO . 15638 1 24 21 PRO . 15638 1 25 22 ASP . 15638 1 26 23 ALA . 15638 1 27 24 CYS . 15638 1 28 25 PRO . 15638 1 29 26 LEU . 15638 1 30 27 VAL . 15638 1 31 28 PRO . 15638 1 32 29 PHE . 15638 1 33 30 GLY . 15638 1 34 31 VAL . 15638 1 35 32 ASN . 15638 1 36 33 TYR . 15638 1 37 34 TYR . 15638 1 38 35 ILE . 15638 1 39 36 TYR . 15638 1 40 37 PRO . 15638 1 41 38 VAL . 15638 1 42 39 MET . 15638 1 43 40 TRP . 15638 1 44 41 GLY . 15638 1 45 42 GLY . 15638 1 46 43 ILE . 15638 1 47 44 GLY . 15638 1 48 45 ALA . 15638 1 49 46 ALA . 15638 1 50 47 ILE . 15638 1 51 48 ALA . 15638 1 52 49 THR . 15638 1 53 50 ALA . 15638 1 54 51 VAL . 15638 1 55 52 ILE . 15638 1 56 53 GLY . 15638 1 57 54 PRO . 15638 1 58 55 PHE . 15638 1 59 56 VAL . 15638 1 60 57 SER . 15638 1 61 58 MET . 15638 1 62 59 LEU . 15638 1 63 60 LYS . 15638 1 64 61 GLY . 15638 1 65 62 TRP . 15638 1 66 63 TYR . 15638 1 67 64 MET . 15638 1 68 65 SER . 15638 1 69 66 PHE . 15638 1 70 67 TRP . 15638 1 71 68 PRO . 15638 1 72 69 ILE . 15638 1 73 70 ILE . 15638 1 74 71 SER . 15638 1 75 72 ILE . 15638 1 76 73 ALA . 15638 1 77 74 VAL . 15638 1 78 75 ILE . 15638 1 79 76 THR . 15638 1 80 77 VAL . 15638 1 81 78 THR . 15638 1 82 79 SER . 15638 1 83 80 ILE . 15638 1 84 81 ALA . 15638 1 85 82 GLY . 15638 1 86 83 TYR . 15638 1 87 84 ALA . 15638 1 88 85 ILE . 15638 1 89 86 ALA . 15638 1 90 87 GLY . 15638 1 91 88 PHE . 15638 1 92 89 SER . 15638 1 93 90 GLU . 15638 1 94 91 ARG . 15638 1 95 92 TYR . 15638 1 96 93 TRP . 15638 1 97 94 HIS . 15638 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 15638 1 . SER 2 2 15638 1 . HIS 3 3 15638 1 . MET 4 4 15638 1 . VAL 5 5 15638 1 . THR 6 6 15638 1 . MET 7 7 15638 1 . THR 8 8 15638 1 . SER 9 9 15638 1 . TRP 10 10 15638 1 . PRO 11 11 15638 1 . SER 12 12 15638 1 . ARG 13 13 15638 1 . LEU 14 14 15638 1 . PHE 15 15 15638 1 . ALA 16 16 15638 1 . PHE 17 17 15638 1 . THR 18 18 15638 1 . ASP 19 19 15638 1 . ASN 20 20 15638 1 . VAL 21 21 15638 1 . CYS 22 22 15638 1 . PRO 23 23 15638 1 . PRO 24 24 15638 1 . ASP 25 25 15638 1 . ALA 26 26 15638 1 . CYS 27 27 15638 1 . PRO 28 28 15638 1 . LEU 29 29 15638 1 . VAL 30 30 15638 1 . PRO 31 31 15638 1 . PHE 32 32 15638 1 . GLY 33 33 15638 1 . VAL 34 34 15638 1 . ASN 35 35 15638 1 . TYR 36 36 15638 1 . TYR 37 37 15638 1 . ILE 38 38 15638 1 . TYR 39 39 15638 1 . PRO 40 40 15638 1 . VAL 41 41 15638 1 . MET 42 42 15638 1 . TRP 43 43 15638 1 . GLY 44 44 15638 1 . GLY 45 45 15638 1 . ILE 46 46 15638 1 . GLY 47 47 15638 1 . ALA 48 48 15638 1 . ALA 49 49 15638 1 . ILE 50 50 15638 1 . ALA 51 51 15638 1 . THR 52 52 15638 1 . ALA 53 53 15638 1 . VAL 54 54 15638 1 . ILE 55 55 15638 1 . GLY 56 56 15638 1 . PRO 57 57 15638 1 . PHE 58 58 15638 1 . VAL 59 59 15638 1 . SER 60 60 15638 1 . MET 61 61 15638 1 . LEU 62 62 15638 1 . LYS 63 63 15638 1 . GLY 64 64 15638 1 . TRP 65 65 15638 1 . TYR 66 66 15638 1 . MET 67 67 15638 1 . SER 68 68 15638 1 . PHE 69 69 15638 1 . TRP 70 70 15638 1 . PRO 71 71 15638 1 . ILE 72 72 15638 1 . ILE 73 73 15638 1 . SER 74 74 15638 1 . ILE 75 75 15638 1 . ALA 76 76 15638 1 . VAL 77 77 15638 1 . ILE 78 78 15638 1 . THR 79 79 15638 1 . VAL 80 80 15638 1 . THR 81 81 15638 1 . SER 82 82 15638 1 . ILE 83 83 15638 1 . ALA 84 84 15638 1 . GLY 85 85 15638 1 . TYR 86 86 15638 1 . ALA 87 87 15638 1 . ILE 88 88 15638 1 . ALA 89 89 15638 1 . GLY 90 90 15638 1 . PHE 91 91 15638 1 . SER 92 92 15638 1 . GLU 93 93 15638 1 . ARG 94 94 15638 1 . TYR 95 95 15638 1 . TRP 96 96 15638 1 . HIS 97 97 15638 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 15638 _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 $Rv1567c . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis H37Rv . . . . . . . . . . . . . . . Rv1567c . . . . 15638 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 15638 _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 $Rv1567c . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) RP plus' . . . . . . . . . . . . . . . pET15b . . . . . . 15638 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15638 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rv1567c '[U-99% 13C; U-99% 15N]' . . 1 $Rv1567c . . 1 . . mM 0.2 . . . 15638 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15638 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rv1567c '[U-99% 15N]' . . 1 $Rv1567c . . 1 . . mM 0.2 . . . 15638 2 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 15638 _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' 10 . mM 15638 1 pH 4 . pH 15638 1 pressure 1 . atm 15638 1 temperature 323 . K 15638 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15638 _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' . . 15638 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15638 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15638 _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' . . 15638 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15638 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15638 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15638 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15638 3 'peak picking' 15638 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 15638 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15638 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 720 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 15638 _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 . . . 15638 1 2 spectrometer_2 Varian INOVA . 720 . . . 15638 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 15638 _Experiment_list.ID 1 _Experiment_list.Details 'HSQC of 15N-Ala, 15N-Ile, 15N-Val - specific amino acid labeled samples were also used' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15638 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15638 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15638 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15638 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15638 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15638 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 15638 _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 0.0 . indirect 0.251449530 . . . . . . . . . 15638 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 15638 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 15638 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 15638 _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' . . . 15638 1 2 '3D HNCA' . . . 15638 1 3 '3D HN(CO)CA' . . . 15638 1 4 '3D HNCACB' . . . 15638 1 5 '3D CBCA(CO)NH' . . . 15638 1 6 '3D HNCO' . . . 15638 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 15638 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 MET H H 1 8.398 0.02 . 1 . . . . 1 MET H . 15638 1 2 . 1 1 4 4 MET C C 13 175.992 0.4 . 1 . . . . 1 MET C . 15638 1 3 . 1 1 4 4 MET CA C 13 56.518 0.45 . 1 . . . . 1 MET CA . 15638 1 4 . 1 1 4 4 MET N N 15 120.079 0.2 . 1 . . . . 1 MET N . 15638 1 5 . 1 1 5 5 VAL H H 1 7.791 0.02 . 1 . . . . 2 VAL H . 15638 1 6 . 1 1 5 5 VAL C C 13 175.656 0.4 . 1 . . . . 2 VAL C . 15638 1 7 . 1 1 5 5 VAL CA C 13 62.458 0.45 . 1 . . . . 2 VAL CA . 15638 1 8 . 1 1 5 5 VAL N N 15 118.419 0.2 . 1 . . . . 2 VAL N . 15638 1 9 . 1 1 6 6 THR H H 1 7.991 0.02 . 1 . . . . 3 THR H . 15638 1 10 . 1 1 6 6 THR C C 13 174.896 0.4 . 1 . . . . 3 THR C . 15638 1 11 . 1 1 6 6 THR CA C 13 61.971 0.45 . 1 . . . . 3 THR CA . 15638 1 12 . 1 1 6 6 THR N N 15 116.064 0.2 . 1 . . . . 3 THR N . 15638 1 13 . 1 1 7 7 MET H H 1 8.220 0.02 . 1 . . . . 4 MET H . 15638 1 14 . 1 1 7 7 MET C C 13 176.324 0.4 . 1 . . . . 4 MET C . 15638 1 15 . 1 1 7 7 MET CA C 13 56.477 0.45 . 1 . . . . 4 MET CA . 15638 1 16 . 1 1 7 7 MET N N 15 121.586 0.2 . 1 . . . . 4 MET N . 15638 1 17 . 1 1 8 8 THR H H 1 7.757 0.02 . 1 . . . . 5 THR H . 15638 1 18 . 1 1 8 8 THR C C 13 174.937 0.4 . 1 . . . . 5 THR C . 15638 1 19 . 1 1 8 8 THR CA C 13 63.030 0.45 . 1 . . . . 5 THR CA . 15638 1 20 . 1 1 8 8 THR N N 15 110.419 0.2 . 1 . . . . 5 THR N . 15638 1 21 . 1 1 9 9 SER H H 1 8.088 0.02 . 1 . . . . 6 SER H . 15638 1 22 . 1 1 9 9 SER C C 13 174.994 0.4 . 1 . . . . 6 SER C . 15638 1 23 . 1 1 9 9 SER CA C 13 58.782 0.45 . 1 . . . . 6 SER CA . 15638 1 24 . 1 1 9 9 SER N N 15 115.615 0.2 . 1 . . . . 6 SER N . 15638 1 25 . 1 1 10 10 TRP H H 1 8.115 0.02 . 1 . . . . 7 TRP H . 15638 1 26 . 1 1 10 10 TRP CA C 13 60.017 0.45 . 1 . . . . 7 TRP CA . 15638 1 27 . 1 1 10 10 TRP N N 15 122.566 0.2 . 1 . . . . 7 TRP N . 15638 1 28 . 1 1 11 11 PRO C C 13 177.071 0.4 . 1 . . . . 8 PRO C . 15638 1 29 . 1 1 11 11 PRO CA C 13 66.048 0.45 . 1 . . . . 8 PRO CA . 15638 1 30 . 1 1 12 12 SER H H 1 7.854 0.02 . 1 . . . . 9 SER H . 15638 1 31 . 1 1 12 12 SER CA C 13 61.530 0.45 . 1 . . . . 9 SER CA . 15638 1 32 . 1 1 12 12 SER N N 15 112.186 0.2 . 1 . . . . 9 SER N . 15638 1 33 . 1 1 13 13 ARG H H 1 7.950 0.02 . 1 . . . . 10 ARG H . 15638 1 34 . 1 1 13 13 ARG C C 13 177.889 0.4 . 1 . . . . 10 ARG C . 15638 1 35 . 1 1 13 13 ARG CA C 13 58.442 0.45 . 1 . . . . 10 ARG CA . 15638 1 36 . 1 1 13 13 ARG N N 15 121.309 0.2 . 1 . . . . 10 ARG N . 15638 1 37 . 1 1 14 14 LEU H H 1 7.889 0.02 . 1 . . . . 11 LEU H . 15638 1 38 . 1 1 14 14 LEU C C 13 180.229 0.4 . 1 . . . . 11 LEU C . 15638 1 39 . 1 1 14 14 LEU CA C 13 57.789 0.45 . 1 . . . . 11 LEU CA . 15638 1 40 . 1 1 14 14 LEU N N 15 119.370 0.2 . 1 . . . . 11 LEU N . 15638 1 41 . 1 1 15 15 PHE H H 1 8.108 0.02 . 1 . . . . 12 PHE H . 15638 1 42 . 1 1 15 15 PHE C C 13 177.084 0.4 . 1 . . . . 12 PHE C . 15638 1 43 . 1 1 15 15 PHE CA C 13 59.459 0.45 . 1 . . . . 12 PHE CA . 15638 1 44 . 1 1 15 15 PHE N N 15 117.754 0.2 . 1 . . . . 12 PHE N . 15638 1 45 . 1 1 16 16 ALA H H 1 7.856 0.02 . 1 . . . . 13 ALA H . 15638 1 46 . 1 1 16 16 ALA C C 13 179.274 0.4 . 1 . . . . 13 ALA C . 15638 1 47 . 1 1 16 16 ALA CA C 13 54.667 0.45 . 1 . . . . 13 ALA CA . 15638 1 48 . 1 1 16 16 ALA N N 15 121.796 0.2 . 1 . . . . 13 ALA N . 15638 1 49 . 1 1 17 17 PHE H H 1 7.876 0.02 . 1 . . . . 14 PHE H . 15638 1 50 . 1 1 17 17 PHE C C 13 177.328 0.4 . 1 . . . . 14 PHE C . 15638 1 51 . 1 1 17 17 PHE CA C 13 60.252 0.45 . 1 . . . . 14 PHE CA . 15638 1 52 . 1 1 17 17 PHE N N 15 116.986 0.2 . 1 . . . . 14 PHE N . 15638 1 53 . 1 1 18 18 THR H H 1 8.145 0.02 . 1 . . . . 15 THR H . 15638 1 54 . 1 1 18 18 THR C C 13 175.583 0.4 . 1 . . . . 15 THR C . 15638 1 55 . 1 1 18 18 THR CA C 13 65.383 0.45 . 1 . . . . 15 THR CA . 15638 1 56 . 1 1 18 18 THR N N 15 112.087 0.2 . 1 . . . . 15 THR N . 15638 1 57 . 1 1 19 19 ASP H H 1 8.071 0.02 . 1 . . . . 16 ASP H . 15638 1 58 . 1 1 19 19 ASP C C 13 175.524 0.4 . 1 . . . . 16 ASP C . 15638 1 59 . 1 1 19 19 ASP CA C 13 54.941 0.45 . 1 . . . . 16 ASP CA . 15638 1 60 . 1 1 19 19 ASP N N 15 118.759 0.2 . 1 . . . . 16 ASP N . 15638 1 61 . 1 1 20 20 ASN H H 1 7.685 0.02 . 1 . . . . 17 ASN H . 15638 1 62 . 1 1 20 20 ASN C C 13 175.555 0.4 . 1 . . . . 17 ASN C . 15638 1 63 . 1 1 20 20 ASN CA C 13 54.534 0.45 . 1 . . . . 17 ASN CA . 15638 1 64 . 1 1 20 20 ASN N N 15 115.656 0.2 . 1 . . . . 17 ASN N . 15638 1 65 . 1 1 21 21 VAL H H 1 7.485 0.02 . 1 . . . . 18 VAL H . 15638 1 66 . 1 1 21 21 VAL C C 13 174.744 0.4 . 1 . . . . 18 VAL C . 15638 1 67 . 1 1 21 21 VAL CA C 13 63.060 0.45 . 1 . . . . 18 VAL CA . 15638 1 68 . 1 1 21 21 VAL N N 15 115.346 0.2 . 1 . . . . 18 VAL N . 15638 1 69 . 1 1 22 22 CYS H H 1 8.078 0.02 . 1 . . . . 19 CYS H . 15638 1 70 . 1 1 22 22 CYS CA C 13 54.417 0.45 . 1 . . . . 19 CYS CA . 15638 1 71 . 1 1 22 22 CYS N N 15 119.815 0.2 . 1 . . . . 19 CYS N . 15638 1 72 . 1 1 24 24 PRO C C 13 177.150 0.4 . 1 . . . . 21 PRO C . 15638 1 73 . 1 1 24 24 PRO CA C 13 64.915 0.45 . 1 . . . . 21 PRO CA . 15638 1 74 . 1 1 25 25 ASP H H 1 8.364 0.02 . 1 . . . . 22 ASP H . 15638 1 75 . 1 1 25 25 ASP C C 13 175.085 0.4 . 1 . . . . 22 ASP C . 15638 1 76 . 1 1 25 25 ASP CA C 13 54.448 0.45 . 1 . . . . 22 ASP CA . 15638 1 77 . 1 1 25 25 ASP N N 15 113.868 0.2 . 1 . . . . 22 ASP N . 15638 1 78 . 1 1 26 26 ALA H H 1 8.016 0.02 . 1 . . . . 23 ALA H . 15638 1 79 . 1 1 26 26 ALA C C 13 175.722 0.4 . 1 . . . . 23 ALA C . 15638 1 80 . 1 1 26 26 ALA CA C 13 52.372 0.45 . 1 . . . . 23 ALA CA . 15638 1 81 . 1 1 26 26 ALA N N 15 122.425 0.2 . 1 . . . . 23 ALA N . 15638 1 82 . 1 1 27 27 CYS H H 1 8.189 0.02 . 1 . . . . 24 CYS H . 15638 1 83 . 1 1 27 27 CYS CA C 13 53.321 0.45 . 1 . . . . 24 CYS CA . 15638 1 84 . 1 1 27 27 CYS N N 15 118.171 0.2 . 1 . . . . 24 CYS N . 15638 1 85 . 1 1 28 28 PRO C C 13 176.840 0.4 . 1 . . . . 25 PRO C . 15638 1 86 . 1 1 28 28 PRO CA C 13 64.111 0.45 . 1 . . . . 25 PRO CA . 15638 1 87 . 1 1 29 29 LEU H H 1 7.931 0.02 . 1 . . . . 26 LEU H . 15638 1 88 . 1 1 29 29 LEU C C 13 176.096 0.4 . 1 . . . . 26 LEU C . 15638 1 89 . 1 1 29 29 LEU CA C 13 55.842 0.45 . 1 . . . . 26 LEU CA . 15638 1 90 . 1 1 29 29 LEU N N 15 119.448 0.2 . 1 . . . . 26 LEU N . 15638 1 91 . 1 1 30 30 VAL H H 1 7.534 0.02 . 1 . . . . 27 VAL H . 15638 1 92 . 1 1 30 30 VAL CA C 13 61.299 0.45 . 1 . . . . 27 VAL CA . 15638 1 93 . 1 1 30 30 VAL N N 15 117.084 0.2 . 1 . . . . 27 VAL N . 15638 1 94 . 1 1 31 31 PRO CA C 13 63.785 0.45 . 1 . . . . 28 PRO CA . 15638 1 95 . 1 1 32 32 PHE H H 1 7.607 0.02 . 1 . . . . 29 PHE H . 15638 1 96 . 1 1 32 32 PHE C C 13 176.012 0.4 . 1 . . . . 29 PHE C . 15638 1 97 . 1 1 32 32 PHE CA C 13 58.256 0.45 . 1 . . . . 29 PHE CA . 15638 1 98 . 1 1 32 32 PHE N N 15 117.463 0.2 . 1 . . . . 29 PHE N . 15638 1 99 . 1 1 33 33 GLY H H 1 8.185 0.02 . 1 . . . . 30 GLY H . 15638 1 100 . 1 1 33 33 GLY C C 13 174.376 0.4 . 1 . . . . 30 GLY C . 15638 1 101 . 1 1 33 33 GLY CA C 13 46.140 0.45 . 1 . . . . 30 GLY CA . 15638 1 102 . 1 1 33 33 GLY N N 15 108.294 0.2 . 1 . . . . 30 GLY N . 15638 1 103 . 1 1 34 34 VAL H H 1 7.840 0.02 . 1 . . . . 31 VAL H . 15638 1 104 . 1 1 34 34 VAL C C 13 175.807 0.4 . 1 . . . . 31 VAL C . 15638 1 105 . 1 1 34 34 VAL CA C 13 63.488 0.45 . 1 . . . . 31 VAL CA . 15638 1 106 . 1 1 34 34 VAL N N 15 117.667 0.2 . 1 . . . . 31 VAL N . 15638 1 107 . 1 1 35 35 ASN H H 1 8.136 0.02 . 1 . . . . 32 ASN H . 15638 1 108 . 1 1 35 35 ASN C C 13 175.112 0.4 . 1 . . . . 32 ASN C . 15638 1 109 . 1 1 35 35 ASN CA C 13 54.214 0.45 . 1 . . . . 32 ASN CA . 15638 1 110 . 1 1 35 35 ASN N N 15 118.840 0.2 . 1 . . . . 32 ASN N . 15638 1 111 . 1 1 36 36 TYR H H 1 7.658 0.02 . 1 . . . . 33 TYR H . 15638 1 112 . 1 1 36 36 TYR C C 13 173.937 0.4 . 1 . . . . 33 TYR C . 15638 1 113 . 1 1 36 36 TYR CA C 13 59.011 0.45 . 1 . . . . 33 TYR CA . 15638 1 114 . 1 1 36 36 TYR N N 15 118.095 0.2 . 1 . . . . 33 TYR N . 15638 1 115 . 1 1 37 37 TYR H H 1 7.578 0.02 . 1 . . . . 34 TYR H . 15638 1 116 . 1 1 37 37 TYR C C 13 175.215 0.4 . 1 . . . . 34 TYR C . 15638 1 117 . 1 1 37 37 TYR CA C 13 58.791 0.45 . 1 . . . . 34 TYR CA . 15638 1 118 . 1 1 37 37 TYR N N 15 116.928 0.2 . 1 . . . . 34 TYR N . 15638 1 119 . 1 1 38 38 ILE H H 1 7.320 0.02 . 1 . . . . 35 ILE H . 15638 1 120 . 1 1 38 38 ILE C C 13 177.122 0.4 . 1 . . . . 35 ILE C . 15638 1 121 . 1 1 38 38 ILE CA C 13 62.489 0.45 . 1 . . . . 35 ILE CA . 15638 1 122 . 1 1 38 38 ILE N N 15 116.159 0.2 . 1 . . . . 35 ILE N . 15638 1 123 . 1 1 39 39 TYR H H 1 7.745 0.02 . 1 . . . . 36 TYR H . 15638 1 124 . 1 1 39 39 TYR CA C 13 58.361 0.45 . 1 . . . . 36 TYR CA . 15638 1 125 . 1 1 39 39 TYR N N 15 121.928 0.2 . 1 . . . . 36 TYR N . 15638 1 126 . 1 1 40 40 PRO C C 13 177.171 0.4 . 1 . . . . 37 PRO C . 15638 1 127 . 1 1 40 40 PRO CA C 13 64.889 0.45 . 1 . . . . 37 PRO CA . 15638 1 128 . 1 1 41 41 VAL H H 1 7.304 0.02 . 1 . . . . 38 VAL H . 15638 1 129 . 1 1 41 41 VAL C C 13 175.669 0.4 . 1 . . . . 38 VAL C . 15638 1 130 . 1 1 41 41 VAL CA C 13 63.770 0.45 . 1 . . . . 38 VAL CA . 15638 1 131 . 1 1 41 41 VAL N N 15 115.799 0.2 . 1 . . . . 38 VAL N . 15638 1 132 . 1 1 42 42 MET H H 1 7.387 0.02 . 1 . . . . 39 MET H . 15638 1 133 . 1 1 42 42 MET C C 13 178.034 0.4 . 1 . . . . 39 MET C . 15638 1 134 . 1 1 42 42 MET CA C 13 56.868 0.45 . 1 . . . . 39 MET CA . 15638 1 135 . 1 1 42 42 MET N N 15 117.951 0.2 . 1 . . . . 39 MET N . 15638 1 136 . 1 1 43 43 TRP H H 1 8.005 0.02 . 1 . . . . 40 TRP H . 15638 1 137 . 1 1 43 43 TRP CA C 13 58.155 0.45 . 1 . . . . 40 TRP CA . 15638 1 138 . 1 1 43 43 TRP N N 15 119.274 0.2 . 1 . . . . 40 TRP N . 15638 1 139 . 1 1 44 44 GLY H H 1 8.140 0.02 . 1 . . . . 41 GLY H . 15638 1 140 . 1 1 44 44 GLY C C 13 175.390 0.4 . 1 . . . . 41 GLY C . 15638 1 141 . 1 1 44 44 GLY CA C 13 46.786 0.45 . 1 . . . . 41 GLY CA . 15638 1 142 . 1 1 44 44 GLY N N 15 107.407 0.2 . 1 . . . . 41 GLY N . 15638 1 143 . 1 1 45 45 GLY H H 1 8.037 0.02 . 1 . . . . 42 GLY H . 15638 1 144 . 1 1 45 45 GLY CA C 13 46.457 0.45 . 1 . . . . 42 GLY CA . 15638 1 145 . 1 1 45 45 GLY N N 15 108.414 0.2 . 1 . . . . 42 GLY N . 15638 1 146 . 1 1 46 46 ILE H H 1 7.941 0.02 . 1 . . . . 43 ILE H . 15638 1 147 . 1 1 46 46 ILE C C 13 177.315 0.4 . 1 . . . . 43 ILE C . 15638 1 148 . 1 1 46 46 ILE CA C 13 63.607 0.45 . 1 . . . . 43 ILE CA . 15638 1 149 . 1 1 46 46 ILE N N 15 121.287 0.2 . 1 . . . . 43 ILE N . 15638 1 150 . 1 1 47 47 GLY H H 1 8.342 0.02 . 1 . . . . 44 GLY H . 15638 1 151 . 1 1 47 47 GLY CA C 13 47.535 0.45 . 1 . . . . 44 GLY CA . 15638 1 152 . 1 1 47 47 GLY N N 15 107.954 0.2 . 1 . . . . 44 GLY N . 15638 1 153 . 1 1 48 48 ALA H H 1 8.066 0.02 . 1 . . . . 45 ALA H . 15638 1 154 . 1 1 48 48 ALA C C 13 179.698 0.4 . 1 . . . . 45 ALA C . 15638 1 155 . 1 1 48 48 ALA CA C 13 54.992 0.45 . 1 . . . . 45 ALA CA . 15638 1 156 . 1 1 48 48 ALA N N 15 122.467 0.2 . 1 . . . . 45 ALA N . 15638 1 157 . 1 1 49 49 ALA H H 1 7.846 0.02 . 1 . . . . 46 ALA H . 15638 1 158 . 1 1 49 49 ALA C C 13 178.464 0.4 . 1 . . . . 46 ALA C . 15638 1 159 . 1 1 49 49 ALA CA C 13 54.976 0.45 . 1 . . . . 46 ALA CA . 15638 1 160 . 1 1 49 49 ALA N N 15 121.054 0.2 . 1 . . . . 46 ALA N . 15638 1 161 . 1 1 50 50 ILE H H 1 8.080 0.02 . 1 . . . . 47 ILE H . 15638 1 162 . 1 1 50 50 ILE C C 13 174.424 0.4 . 1 . . . . 47 ILE C . 15638 1 163 . 1 1 50 50 ILE CA C 13 64.229 0.45 . 1 . . . . 47 ILE CA . 15638 1 164 . 1 1 50 50 ILE N N 15 117.621 0.2 . 1 . . . . 47 ILE N . 15638 1 165 . 1 1 51 51 ALA H H 1 8.285 0.02 . 1 . . . . 48 ALA H . 15638 1 166 . 1 1 51 51 ALA C C 13 176.245 0.4 . 1 . . . . 48 ALA C . 15638 1 167 . 1 1 51 51 ALA CA C 13 55.530 0.45 . 1 . . . . 48 ALA CA . 15638 1 168 . 1 1 51 51 ALA N N 15 121.705 0.2 . 1 . . . . 48 ALA N . 15638 1 169 . 1 1 52 52 THR H H 1 8.040 0.02 . 1 . . . . 49 THR H . 15638 1 170 . 1 1 52 52 THR C C 13 175.935 0.4 . 1 . . . . 49 THR C . 15638 1 171 . 1 1 52 52 THR CA C 13 65.530 0.45 . 1 . . . . 49 THR CA . 15638 1 172 . 1 1 52 52 THR N N 15 110.097 0.2 . 1 . . . . 49 THR N . 15638 1 173 . 1 1 53 53 ALA H H 1 7.839 0.02 . 1 . . . . 50 ALA H . 15638 1 174 . 1 1 53 53 ALA C C 13 178.315 0.4 . 1 . . . . 50 ALA C . 15638 1 175 . 1 1 53 53 ALA CA C 13 54.264 0.45 . 1 . . . . 50 ALA CA . 15638 1 176 . 1 1 53 53 ALA N N 15 122.692 0.2 . 1 . . . . 50 ALA N . 15638 1 177 . 1 1 54 54 VAL H H 1 7.755 0.02 . 1 . . . . 51 VAL H . 15638 1 178 . 1 1 54 54 VAL C C 13 176.233 0.4 . 1 . . . . 51 VAL C . 15638 1 179 . 1 1 54 54 VAL CA C 13 63.838 0.45 . 1 . . . . 51 VAL CA . 15638 1 180 . 1 1 54 54 VAL N N 15 112.601 0.2 . 1 . . . . 51 VAL N . 15638 1 181 . 1 1 55 55 ILE H H 1 7.927 0.02 . 1 . . . . 52 ILE H . 15638 1 182 . 1 1 55 55 ILE C C 13 177.452 0.4 . 1 . . . . 52 ILE C . 15638 1 183 . 1 1 55 55 ILE CA C 13 63.804 0.45 . 1 . . . . 52 ILE CA . 15638 1 184 . 1 1 55 55 ILE N N 15 116.938 0.2 . 1 . . . . 52 ILE N . 15638 1 185 . 1 1 56 56 GLY H H 1 8.194 0.02 . 1 . . . . 53 GLY H . 15638 1 186 . 1 1 56 56 GLY CA C 13 48.367 0.45 . 1 . . . . 53 GLY CA . 15638 1 187 . 1 1 56 56 GLY N N 15 107.312 0.2 . 1 . . . . 53 GLY N . 15638 1 188 . 1 1 57 57 PRO CA C 13 65.164 0.45 . 1 . . . . 54 PRO CA . 15638 1 189 . 1 1 58 58 PHE H H 1 7.857 0.02 . 1 . . . . 55 PHE H . 15638 1 190 . 1 1 58 58 PHE C C 13 177.042 0.4 . 1 . . . . 55 PHE C . 15638 1 191 . 1 1 58 58 PHE CA C 13 60.526 0.45 . 1 . . . . 55 PHE CA . 15638 1 192 . 1 1 58 58 PHE N N 15 116.924 0.2 . 1 . . . . 55 PHE N . 15638 1 193 . 1 1 59 59 VAL H H 1 8.386 0.02 . 1 . . . . 56 VAL H . 15638 1 194 . 1 1 59 59 VAL C C 13 177.882 0.4 . 1 . . . . 56 VAL C . 15638 1 195 . 1 1 59 59 VAL CA C 13 67.172 0.45 . 1 . . . . 56 VAL CA . 15638 1 196 . 1 1 59 59 VAL N N 15 119.047 0.2 . 1 . . . . 56 VAL N . 15638 1 197 . 1 1 60 60 SER H H 1 8.142 0.02 . 1 . . . . 57 SER H . 15638 1 198 . 1 1 60 60 SER CA C 13 61.892 0.45 . 1 . . . . 57 SER CA . 15638 1 199 . 1 1 60 60 SER N N 15 114.202 0.2 . 1 . . . . 57 SER N . 15638 1 200 . 1 1 61 61 MET C C 13 176.993 0.4 . 1 . . . . 58 MET C . 15638 1 201 . 1 1 61 61 MET CA C 13 58.425 0.45 . 1 . . . . 58 MET CA . 15638 1 202 . 1 1 62 62 LEU H H 1 7.963 0.02 . 1 . . . . 59 LEU H . 15638 1 203 . 1 1 62 62 LEU CA C 13 57.914 0.45 . 1 . . . . 59 LEU CA . 15638 1 204 . 1 1 62 62 LEU N N 15 119.135 0.2 . 1 . . . . 59 LEU N . 15638 1 205 . 1 1 63 63 LYS H H 1 8.260 0.02 . 1 . . . . 60 LYS H . 15638 1 206 . 1 1 63 63 LYS C C 13 178.659 0.4 . 1 . . . . 60 LYS C . 15638 1 207 . 1 1 63 63 LYS CA C 13 60.243 0.45 . 1 . . . . 60 LYS CA . 15638 1 208 . 1 1 63 63 LYS N N 15 118.143 0.2 . 1 . . . . 60 LYS N . 15638 1 209 . 1 1 64 64 GLY H H 1 7.862 0.02 . 1 . . . . 61 GLY H . 15638 1 210 . 1 1 64 64 GLY C C 13 176.853 0.4 . 1 . . . . 61 GLY C . 15638 1 211 . 1 1 64 64 GLY CA C 13 47.151 0.45 . 1 . . . . 61 GLY CA . 15638 1 212 . 1 1 64 64 GLY N N 15 105.797 0.2 . 1 . . . . 61 GLY N . 15638 1 213 . 1 1 65 65 TRP H H 1 8.148 0.02 . 1 . . . . 62 TRP H . 15638 1 214 . 1 1 65 65 TRP CA C 13 59.241 0.45 . 1 . . . . 62 TRP CA . 15638 1 215 . 1 1 65 65 TRP N N 15 122.838 0.2 . 1 . . . . 62 TRP N . 15638 1 216 . 1 1 66 66 TYR C C 13 174.847 0.4 . 1 . . . . 63 TYR C . 15638 1 217 . 1 1 66 66 TYR CA C 13 61.877 0.45 . 1 . . . . 63 TYR CA . 15638 1 218 . 1 1 67 67 MET H H 1 8.144 0.02 . 1 . . . . 64 MET H . 15638 1 219 . 1 1 67 67 MET C C 13 178.685 0.4 . 1 . . . . 64 MET C . 15638 1 220 . 1 1 67 67 MET CA C 13 57.875 0.45 . 1 . . . . 64 MET CA . 15638 1 221 . 1 1 67 67 MET N N 15 116.007 0.2 . 1 . . . . 64 MET N . 15638 1 222 . 1 1 68 68 SER H H 1 7.920 0.02 . 1 . . . . 65 SER H . 15638 1 223 . 1 1 68 68 SER C C 13 175.265 0.4 . 1 . . . . 65 SER C . 15638 1 224 . 1 1 68 68 SER CA C 13 61.080 0.45 . 1 . . . . 65 SER CA . 15638 1 225 . 1 1 68 68 SER N N 15 113.564 0.2 . 1 . . . . 65 SER N . 15638 1 226 . 1 1 69 69 PHE H H 1 8.088 0.02 . 1 . . . . 66 PHE H . 15638 1 227 . 1 1 69 69 PHE CA C 13 58.019 0.45 . 1 . . . . 66 PHE CA . 15638 1 228 . 1 1 69 69 PHE N N 15 117.050 0.2 . 1 . . . . 66 PHE N . 15638 1 229 . 1 1 70 70 TRP H H 1 8.318 0.02 . 1 . . . . 67 TRP H . 15638 1 230 . 1 1 70 70 TRP CA C 13 61.851 0.45 . 1 . . . . 67 TRP CA . 15638 1 231 . 1 1 70 70 TRP N N 15 122.762 0.2 . 1 . . . . 67 TRP N . 15638 1 232 . 1 1 71 71 PRO C C 13 176.266 0.4 . 1 . . . . 68 PRO C . 15638 1 233 . 1 1 71 71 PRO CA C 13 62.118 0.45 . 1 . . . . 68 PRO CA . 15638 1 234 . 1 1 72 72 ILE H H 1 7.144 0.02 . 1 . . . . 69 ILE H . 15638 1 235 . 1 1 72 72 ILE C C 13 177.162 0.4 . 1 . . . . 69 ILE C . 15638 1 236 . 1 1 72 72 ILE CA C 13 62.933 0.45 . 1 . . . . 69 ILE CA . 15638 1 237 . 1 1 72 72 ILE N N 15 119.356 0.2 . 1 . . . . 69 ILE N . 15638 1 238 . 1 1 73 73 ILE H H 1 7.776 0.02 . 1 . . . . 70 ILE H . 15638 1 239 . 1 1 73 73 ILE C C 13 177.345 0.4 . 1 . . . . 70 ILE C . 15638 1 240 . 1 1 73 73 ILE CA C 13 64.443 0.45 . 1 . . . . 70 ILE CA . 15638 1 241 . 1 1 73 73 ILE N N 15 119.586 0.2 . 1 . . . . 70 ILE N . 15638 1 242 . 1 1 74 74 SER H H 1 8.143 0.02 . 1 . . . . 71 SER H . 15638 1 243 . 1 1 74 74 SER CA C 13 61.798 0.45 . 1 . . . . 71 SER CA . 15638 1 244 . 1 1 74 74 SER N N 15 113.634 0.2 . 1 . . . . 71 SER N . 15638 1 245 . 1 1 75 75 ILE C C 13 178.901 0.4 . 1 . . . . 72 ILE C . 15638 1 246 . 1 1 75 75 ILE CA C 13 63.538 0.45 . 1 . . . . 72 ILE CA . 15638 1 247 . 1 1 76 76 ALA H H 1 8.084 0.02 . 1 . . . . 73 ALA H . 15638 1 248 . 1 1 76 76 ALA C C 13 178.818 0.4 . 1 . . . . 73 ALA C . 15638 1 249 . 1 1 76 76 ALA CA C 13 55.606 0.45 . 1 . . . . 73 ALA CA . 15638 1 250 . 1 1 76 76 ALA N N 15 125.588 0.2 . 1 . . . . 73 ALA N . 15638 1 251 . 1 1 77 77 VAL H H 1 8.339 0.02 . 1 . . . . 74 VAL H . 15638 1 252 . 1 1 77 77 VAL C C 13 178.817 0.4 . 1 . . . . 74 VAL C . 15638 1 253 . 1 1 77 77 VAL CA C 13 67.094 0.45 . 1 . . . . 74 VAL CA . 15638 1 254 . 1 1 77 77 VAL N N 15 116.697 0.2 . 1 . . . . 74 VAL N . 15638 1 255 . 1 1 78 78 ILE H H 1 8.166 0.02 . 1 . . . . 75 ILE H . 15638 1 256 . 1 1 78 78 ILE C C 13 180.289 0.4 . 1 . . . . 75 ILE C . 15638 1 257 . 1 1 78 78 ILE CA C 13 64.703 0.45 . 1 . . . . 75 ILE CA . 15638 1 258 . 1 1 78 78 ILE N N 15 121.229 0.2 . 1 . . . . 75 ILE N . 15638 1 259 . 1 1 79 79 THR H H 1 8.142 0.02 . 1 . . . . 76 THR H . 15638 1 260 . 1 1 79 79 THR C C 13 176.297 0.4 . 1 . . . . 76 THR C . 15638 1 261 . 1 1 79 79 THR CA C 13 67.477 0.45 . 1 . . . . 76 THR CA . 15638 1 262 . 1 1 79 79 THR N N 15 118.113 0.2 . 1 . . . . 76 THR N . 15638 1 263 . 1 1 80 80 VAL H H 1 8.426 0.02 . 1 . . . . 77 VAL H . 15638 1 264 . 1 1 80 80 VAL C C 13 177.413 0.4 . 1 . . . . 77 VAL C . 15638 1 265 . 1 1 80 80 VAL CA C 13 66.904 0.45 . 1 . . . . 77 VAL CA . 15638 1 266 . 1 1 80 80 VAL N N 15 119.453 0.2 . 1 . . . . 77 VAL N . 15638 1 267 . 1 1 81 81 THR H H 1 8.294 0.02 . 1 . . . . 78 THR H . 15638 1 268 . 1 1 81 81 THR C C 13 177.108 0.4 . 1 . . . . 78 THR C . 15638 1 269 . 1 1 81 81 THR CA C 13 66.870 0.45 . 1 . . . . 78 THR CA . 15638 1 270 . 1 1 81 81 THR N N 15 112.880 0.2 . 1 . . . . 78 THR N . 15638 1 271 . 1 1 82 82 SER H H 1 7.930 0.02 . 1 . . . . 79 SER H . 15638 1 272 . 1 1 82 82 SER CA C 13 61.792 0.45 . 1 . . . . 79 SER CA . 15638 1 273 . 1 1 82 82 SER N N 15 117.437 0.2 . 1 . . . . 79 SER N . 15638 1 274 . 1 1 83 83 ILE H H 1 7.847 0.02 . 1 . . . . 80 ILE H . 15638 1 275 . 1 1 83 83 ILE C C 13 177.536 0.4 . 1 . . . . 80 ILE C . 15638 1 276 . 1 1 83 83 ILE CA C 13 63.924 0.45 . 1 . . . . 80 ILE CA . 15638 1 277 . 1 1 83 83 ILE N N 15 120.047 0.2 . 1 . . . . 80 ILE N . 15638 1 278 . 1 1 84 84 ALA H H 1 8.410 0.02 . 1 . . . . 81 ALA H . 15638 1 279 . 1 1 84 84 ALA C C 13 178.986 0.4 . 1 . . . . 81 ALA C . 15638 1 280 . 1 1 84 84 ALA CA C 13 55.098 0.45 . 1 . . . . 81 ALA CA . 15638 1 281 . 1 1 84 84 ALA N N 15 121.707 0.2 . 1 . . . . 81 ALA N . 15638 1 282 . 1 1 85 85 GLY H H 1 8.250 0.02 . 1 . . . . 82 GLY H . 15638 1 283 . 1 1 85 85 GLY C C 13 176.224 0.4 . 1 . . . . 82 GLY C . 15638 1 284 . 1 1 85 85 GLY CA C 13 47.689 0.45 . 1 . . . . 82 GLY CA . 15638 1 285 . 1 1 85 85 GLY N N 15 104.336 0.2 . 1 . . . . 82 GLY N . 15638 1 286 . 1 1 86 86 TYR H H 1 7.853 0.02 . 1 . . . . 83 TYR H . 15638 1 287 . 1 1 86 86 TYR C C 13 178.268 0.4 . 1 . . . . 83 TYR C . 15638 1 288 . 1 1 86 86 TYR CA C 13 60.525 0.45 . 1 . . . . 83 TYR CA . 15638 1 289 . 1 1 86 86 TYR N N 15 121.051 0.2 . 1 . . . . 83 TYR N . 15638 1 290 . 1 1 87 87 ALA H H 1 8.159 0.02 . 1 . . . . 84 ALA H . 15638 1 291 . 1 1 87 87 ALA C C 13 179.146 0.4 . 1 . . . . 84 ALA C . 15638 1 292 . 1 1 87 87 ALA CA C 13 54.822 0.45 . 1 . . . . 84 ALA CA . 15638 1 293 . 1 1 87 87 ALA N N 15 122.436 0.2 . 1 . . . . 84 ALA N . 15638 1 294 . 1 1 88 88 ILE H H 1 8.373 0.02 . 1 . . . . 85 ILE H . 15638 1 295 . 1 1 88 88 ILE C C 13 178.141 0.4 . 1 . . . . 85 ILE C . 15638 1 296 . 1 1 88 88 ILE CA C 13 64.689 0.45 . 1 . . . . 85 ILE CA . 15638 1 297 . 1 1 88 88 ILE N N 15 117.076 0.2 . 1 . . . . 85 ILE N . 15638 1 298 . 1 1 89 89 ALA H H 1 8.034 0.02 . 1 . . . . 86 ALA H . 15638 1 299 . 1 1 89 89 ALA C C 13 180.105 0.4 . 1 . . . . 86 ALA C . 15638 1 300 . 1 1 89 89 ALA CA C 13 55.202 0.45 . 1 . . . . 86 ALA CA . 15638 1 301 . 1 1 89 89 ALA N N 15 123.334 0.2 . 1 . . . . 86 ALA N . 15638 1 302 . 1 1 90 90 GLY H H 1 8.119 0.02 . 1 . . . . 87 GLY H . 15638 1 303 . 1 1 90 90 GLY C C 13 175.833 0.4 . 1 . . . . 87 GLY C . 15638 1 304 . 1 1 90 90 GLY CA C 13 47.009 0.45 . 1 . . . . 87 GLY CA . 15638 1 305 . 1 1 90 90 GLY N N 15 105.344 0.2 . 1 . . . . 87 GLY N . 15638 1 306 . 1 1 91 91 PHE H H 1 8.298 0.02 . 1 . . . . 88 PHE H . 15638 1 307 . 1 1 91 91 PHE C C 13 177.375 0.4 . 1 . . . . 88 PHE C . 15638 1 308 . 1 1 91 91 PHE CA C 13 60.966 0.45 . 1 . . . . 88 PHE CA . 15638 1 309 . 1 1 91 91 PHE N N 15 121.309 0.2 . 1 . . . . 88 PHE N . 15638 1 310 . 1 1 92 92 SER H H 1 8.428 0.02 . 1 . . . . 89 SER H . 15638 1 311 . 1 1 92 92 SER C C 13 175.878 0.4 . 1 . . . . 89 SER C . 15638 1 312 . 1 1 92 92 SER CA C 13 61.443 0.45 . 1 . . . . 89 SER CA . 15638 1 313 . 1 1 92 92 SER N N 15 114.530 0.2 . 1 . . . . 89 SER N . 15638 1 314 . 1 1 93 93 GLU H H 1 7.886 0.02 . 1 . . . . 90 GLU H . 15638 1 315 . 1 1 93 93 GLU C C 13 176.890 0.4 . 1 . . . . 90 GLU C . 15638 1 316 . 1 1 93 93 GLU CA C 13 57.692 0.45 . 1 . . . . 90 GLU CA . 15638 1 317 . 1 1 93 93 GLU N N 15 118.901 0.2 . 1 . . . . 90 GLU N . 15638 1 318 . 1 1 94 94 ARG H H 1 7.496 0.02 . 1 . . . . 91 ARG H . 15638 1 319 . 1 1 94 94 ARG C C 13 176.650 0.4 . 1 . . . . 91 ARG C . 15638 1 320 . 1 1 94 94 ARG CA C 13 57.440 0.45 . 1 . . . . 91 ARG CA . 15638 1 321 . 1 1 94 94 ARG N N 15 116.894 0.2 . 1 . . . . 91 ARG N . 15638 1 322 . 1 1 95 95 TYR H H 1 7.657 0.02 . 1 . . . . 92 TYR H . 15638 1 323 . 1 1 95 95 TYR C C 13 175.179 0.4 . 1 . . . . 92 TYR C . 15638 1 324 . 1 1 95 95 TYR CA C 13 58.884 0.45 . 1 . . . . 92 TYR CA . 15638 1 325 . 1 1 95 95 TYR N N 15 115.899 0.2 . 1 . . . . 92 TYR N . 15638 1 326 . 1 1 96 96 TRP H H 1 7.738 0.02 . 1 . . . . 93 TRP H . 15638 1 327 . 1 1 96 96 TRP C C 13 174.859 0.4 . 1 . . . . 93 TRP C . 15638 1 328 . 1 1 96 96 TRP CA C 13 57.217 0.45 . 1 . . . . 93 TRP CA . 15638 1 329 . 1 1 96 96 TRP N N 15 119.856 0.2 . 1 . . . . 93 TRP N . 15638 1 330 . 1 1 97 97 HIS H H 1 7.616 0.02 . 1 . . . . 94 HIS H . 15638 1 331 . 1 1 97 97 HIS CA C 13 55.403 0.45 . 1 . . . . 94 HIS CA . 15638 1 332 . 1 1 97 97 HIS N N 15 121.072 0.2 . 1 . . . . 94 HIS N . 15638 1 stop_ save_