data_16253 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16253 _Entry.Title ; NMR chemical shift assignments for Rv2377c, a MbtH-like protein from Mycobacterium tuberculosis: A Structural Genomics Center for Infectious Disease (SSGCID) community request ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-11 _Entry.Accession_date 2009-04-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Garry Buchko . W. . 16253 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 . 'NIAID funded Project' 'Seattle Structural Genomics Center for Infectious Disease (SSGCID)' . 16253 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 2-hydroxyphenyloxazoline . 16253 MtbH-like . 16253 mycobactin . 16253 siderophores . 16253 tuberculosis . 16253 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16253 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 210 16253 '15N chemical shifts' 52 16253 '1H chemical shifts' 320 16253 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 4 . . 2010-08-12 2009-04-11 update BMRB 'update entry citation' 16253 3 . . 2010-05-20 2009-04-11 update BMRB 'update entry citation' 16253 2 . . 2009-07-17 2009-04-11 update author 'update entry title' 16253 1 . . 2009-05-20 2009-04-11 original author 'original release' 16253 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KHR 'BMRB Entry Tracking System' 16253 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16253 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20434955 _Citation.Full_citation . _Citation.Title 'Solution structure of Rv2377c-founding member of the MbtH-like protein family.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Tuberculosis (Edinb)' _Citation.Journal_name_full 'Tuberculosis (Edinburgh, Scotland)' _Citation.Journal_volume 90 _Citation.Journal_issue 4 _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 245 _Citation.Page_last 251 _Citation.Year 2010 _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 Garry Buchko . W. . 16253 1 2 Chang-Yub Kim . . . 16253 1 3 Thomas Terwilliger . C. . 16253 1 4 Peter Myler . J. . 16253 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'drug target' 16253 1 mycobactin 16253 1 siderophores 16253 1 SSGCID 16253 1 tuberculosis 16253 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16253 _Assembly.ID 1 _Assembly.Name Rv2377c _Assembly.BMRB_code . _Assembly.Number_of_components . _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 8363 _Assembly.Enzyme_commission_number . _Assembly.Details 'monomer in solution' _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 Rv2377c 1 $Rv2377c A . yes native no no . . 'monomer in solution' 16253 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'siderophore assembly?' 16253 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rv2377c _Entity.Sf_category entity _Entity.Sf_framecode Rv2377c _Entity.Entry_ID 16253 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rv2377c _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMSTNPFDDDNGAFFVLV NDEDQHSLWPVFADIPAGWR VVHGEASRAACLDYVEKNWT DLRPKSLRDAMVED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first 3 N-terminal residues, GSH-, are non-native residues that remain after thrombin cleavage of an affinity 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 74 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KHR . "Solution Structure Of Rv2377c, A Mbth-Like Protein From Mycobacterium Tuberculosis" . . . . . 100.00 74 100.00 100.00 1.37e-46 . . . . 16253 1 2 no DBJ BAH26669 . "putative protein [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 3 no DBJ BAL66401 . "putative protein [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 4 no DBJ BAQ06468 . "putative protein [Mycobacterium tuberculosis str. Kurono]" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 5 no DBJ GAA46054 . "putative protein [Mycobacterium tuberculosis NCGM2209]" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 6 no EMBL CAL72379 . "Putative conserved protein mbtH [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 7 no EMBL CCC27461 . "putative conserved protein MBTH [Mycobacterium africanum GM041182]" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 8 no EMBL CCC44740 . "putative conserved protein MBTH [Mycobacterium canettii CIPT 140010059]" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 9 no EMBL CCC64968 . "putative conserved protein mbtH [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 10 no EMBL CCE37847 . "mbtH [Mycobacterium tuberculosis UT205]" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 11 no GB AAK46740 . "mbtH protein [Mycobacterium tuberculosis CDC1551]" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 12 no GB ABQ74170 . "protein MbtH [Mycobacterium tuberculosis H37Ra]" . . . . . 95.95 71 100.00 100.00 4.98e-44 . . . . 16253 1 13 no GB ABR06731 . "hypotehtical mycobactin/exochelin synthesis protein mbtH [Mycobacterium tuberculosis F11]" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 14 no GB ACT24652 . "hypothetical protein mbtH [Mycobacterium tuberculosis KZN 1435]" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 15 no GB AEB03737 . "hypothetical protein mbtH [Mycobacterium tuberculosis KZN 4207]" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 16 no REF NP_216893 . "hypothetical protein Rv2377c [Mycobacterium tuberculosis H37Rv]" . . . . . 95.95 71 100.00 100.00 4.98e-44 . . . . 16253 1 17 no REF NP_856047 . "protein MbtH [Mycobacterium bovis AF2122/97]" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 18 no REF WP_003412265 . "MULTISPECIES: protein MbtH [Mycobacterium]" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 19 no REF WP_003916994 . "protein MbtH [Mycobacterium tuberculosis]" . . . . . 95.95 71 100.00 100.00 4.98e-44 . . . . 16253 1 20 no REF WP_015290621 . "hypothetical protein [Mycobacterium canettii]" . . . . . 95.95 71 97.18 97.18 6.72e-43 . . . . 16253 1 21 no SP P59965 . "RecName: Full=Protein MbtH" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 22 no SP P9WIP4 . "RecName: Full=Protein MbtH" . . . . . 95.95 71 98.59 98.59 1.74e-43 . . . . 16253 1 23 no SP P9WIP5 . "RecName: Full=Protein MbtH" . . . . . 95.95 71 100.00 100.00 4.98e-44 . . . . 16253 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16253 1 2 . SER . 16253 1 3 . HIS . 16253 1 4 . MET . 16253 1 5 . SER . 16253 1 6 . THR . 16253 1 7 . ASN . 16253 1 8 . PRO . 16253 1 9 . PHE . 16253 1 10 . ASP . 16253 1 11 . ASP . 16253 1 12 . ASP . 16253 1 13 . ASN . 16253 1 14 . GLY . 16253 1 15 . ALA . 16253 1 16 . PHE . 16253 1 17 . PHE . 16253 1 18 . VAL . 16253 1 19 . LEU . 16253 1 20 . VAL . 16253 1 21 . ASN . 16253 1 22 . ASP . 16253 1 23 . GLU . 16253 1 24 . ASP . 16253 1 25 . GLN . 16253 1 26 . HIS . 16253 1 27 . SER . 16253 1 28 . LEU . 16253 1 29 . TRP . 16253 1 30 . PRO . 16253 1 31 . VAL . 16253 1 32 . PHE . 16253 1 33 . ALA . 16253 1 34 . ASP . 16253 1 35 . ILE . 16253 1 36 . PRO . 16253 1 37 . ALA . 16253 1 38 . GLY . 16253 1 39 . TRP . 16253 1 40 . ARG . 16253 1 41 . VAL . 16253 1 42 . VAL . 16253 1 43 . HIS . 16253 1 44 . GLY . 16253 1 45 . GLU . 16253 1 46 . ALA . 16253 1 47 . SER . 16253 1 48 . ARG . 16253 1 49 . ALA . 16253 1 50 . ALA . 16253 1 51 . CYS . 16253 1 52 . LEU . 16253 1 53 . ASP . 16253 1 54 . TYR . 16253 1 55 . VAL . 16253 1 56 . GLU . 16253 1 57 . LYS . 16253 1 58 . ASN . 16253 1 59 . TRP . 16253 1 60 . THR . 16253 1 61 . ASP . 16253 1 62 . LEU . 16253 1 63 . ARG . 16253 1 64 . PRO . 16253 1 65 . LYS . 16253 1 66 . SER . 16253 1 67 . LEU . 16253 1 68 . ARG . 16253 1 69 . ASP . 16253 1 70 . ALA . 16253 1 71 . MET . 16253 1 72 . VAL . 16253 1 73 . GLU . 16253 1 74 . ASP . 16253 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 16253 1 . SER 2 2 16253 1 . HIS 3 3 16253 1 . MET 4 4 16253 1 . SER 5 5 16253 1 . THR 6 6 16253 1 . ASN 7 7 16253 1 . PRO 8 8 16253 1 . PHE 9 9 16253 1 . ASP 10 10 16253 1 . ASP 11 11 16253 1 . ASP 12 12 16253 1 . ASN 13 13 16253 1 . GLY 14 14 16253 1 . ALA 15 15 16253 1 . PHE 16 16 16253 1 . PHE 17 17 16253 1 . VAL 18 18 16253 1 . LEU 19 19 16253 1 . VAL 20 20 16253 1 . ASN 21 21 16253 1 . ASP 22 22 16253 1 . GLU 23 23 16253 1 . ASP 24 24 16253 1 . GLN 25 25 16253 1 . HIS 26 26 16253 1 . SER 27 27 16253 1 . LEU 28 28 16253 1 . TRP 29 29 16253 1 . PRO 30 30 16253 1 . VAL 31 31 16253 1 . PHE 32 32 16253 1 . ALA 33 33 16253 1 . ASP 34 34 16253 1 . ILE 35 35 16253 1 . PRO 36 36 16253 1 . ALA 37 37 16253 1 . GLY 38 38 16253 1 . TRP 39 39 16253 1 . ARG 40 40 16253 1 . VAL 41 41 16253 1 . VAL 42 42 16253 1 . HIS 43 43 16253 1 . GLY 44 44 16253 1 . GLU 45 45 16253 1 . ALA 46 46 16253 1 . SER 47 47 16253 1 . ARG 48 48 16253 1 . ALA 49 49 16253 1 . ALA 50 50 16253 1 . CYS 51 51 16253 1 . LEU 52 52 16253 1 . ASP 53 53 16253 1 . TYR 54 54 16253 1 . VAL 55 55 16253 1 . GLU 56 56 16253 1 . LYS 57 57 16253 1 . ASN 58 58 16253 1 . TRP 59 59 16253 1 . THR 60 60 16253 1 . ASP 61 61 16253 1 . LEU 62 62 16253 1 . ARG 63 63 16253 1 . PRO 64 64 16253 1 . LYS 65 65 16253 1 . SER 66 66 16253 1 . LEU 67 67 16253 1 . ARG 68 68 16253 1 . ASP 69 69 16253 1 . ALA 70 70 16253 1 . MET 71 71 16253 1 . VAL 72 72 16253 1 . GLU 73 73 16253 1 . ASP 74 74 16253 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 16253 _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 $Rv2377c . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . Rv2377c . . . . 16253 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 16253 _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 $Rv2377c . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21PRO . . . . . . . . . . . . . . . 'modifed pET28b' . . . . . . 16253 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16253 _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 Rv2377c '[U-98% 13C; U-98% 15N]' . . 1 $Rv2377c . . 2 . . mM 0.2 . . . 16253 1 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM 10 . . . 16253 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 16253 1 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 16253 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16253 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16253 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16253 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rv2377c '[U-98% 13C; U-98% 15N]' . . 1 $Rv2377c . . 2 . . mM 0.2 . . . 16253 2 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM 10 . . . 16253 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 16253 2 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 16253 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16253 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16253 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 16253 _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' 0.32 0.005 M 16253 1 pH 7.1 0.1 pH 16253 1 pressure 1.0 . atm 16253 1 temperature 298 0.5 K 16253 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16253 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16253 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16253 1 'structure solution' 16253 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16253 _Software.ID 2 _Software.Name FELIX _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16253 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16253 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16253 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16253 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16253 3 'peak picking' 16253 3 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16253 _Software.ID 4 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16253 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16253 4 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 16253 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16253 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16253 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16253 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16253 _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 . 750 . . . 16253 1 2 spectrometer_2 Varian INOVA . 900 . . . 16253 1 3 spectrometer_3 Varian INOVA . 600 . . . 16253 1 4 spectrometer_4 Varian UnityPlus . 500 . . . 16253 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 16253 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16253 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16253 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16253 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16253 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16253 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16253 1 7 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16253 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16253 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16253 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16253 1 11 '3D HC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16253 1 12 'deuterium X-change' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16253 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 16253 _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 . . . . . . . . . 16253 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16253 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16253 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 16253 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 2 '3D 1H-15N NOESY' . . . 16253 1 8 '3D C(CO)NH' . . . 16253 1 9 '3D HCCH-TOCSY' . . . 16253 1 10 '2D 1H-13C HSQC' . . . 16253 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 2 $Felix . . 16253 1 3 $SPARKY . . 16253 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 3 3 HIS CA C 13 54.8 0.2 . 1 . . . . 1 HIS CA . 16253 1 2 . 1 1 3 3 HIS CB C 13 31.6 0.2 . 1 . . . . 1 HIS CB . 16253 1 3 . 1 1 4 4 MET H H 1 8.43 0.02 . 1 . . . . 2 MET H . 16253 1 4 . 1 1 4 4 MET HE1 H 1 1.99 0.02 . 1 . . . . 2 MET HE1 . 16253 1 5 . 1 1 4 4 MET HE2 H 1 1.99 0.02 . 1 . . . . 2 MET HE2 . 16253 1 6 . 1 1 4 4 MET HE3 H 1 1.99 0.02 . 1 . . . . 2 MET HE3 . 16253 1 7 . 1 1 4 4 MET C C 13 176.0 0.2 . 1 . . . . 2 MET C . 16253 1 8 . 1 1 4 4 MET CA C 13 55.4 0.2 . 1 . . . . 2 MET CA . 16253 1 9 . 1 1 4 4 MET CB C 13 32.9 0.2 . 1 . . . . 2 MET CB . 16253 1 10 . 1 1 4 4 MET CE C 13 16.9 0.2 . 1 . . . . 2 MET CE . 16253 1 11 . 1 1 4 4 MET N N 15 120.5 0.2 . 1 . . . . 2 MET N . 16253 1 12 . 1 1 5 5 SER H H 1 8.40 0.02 . 1 . . . . 3 SER H . 16253 1 13 . 1 1 5 5 SER HA H 1 4.50 0.02 . 1 . . . . 3 SER HA . 16253 1 14 . 1 1 5 5 SER HB2 H 1 3.88 0.02 . 2 . . . . 3 SER HB2 . 16253 1 15 . 1 1 5 5 SER HB3 H 1 3.88 0.02 . 2 . . . . 3 SER HB3 . 16253 1 16 . 1 1 5 5 SER C C 13 174.7 0.2 . 1 . . . . 3 SER C . 16253 1 17 . 1 1 5 5 SER CA C 13 58.4 0.2 . 1 . . . . 3 SER CA . 16253 1 18 . 1 1 5 5 SER CB C 13 63.8 0.2 . 1 . . . . 3 SER CB . 16253 1 19 . 1 1 5 5 SER N N 15 117.3 0.2 . 1 . . . . 3 SER N . 16253 1 20 . 1 1 6 6 THR H H 1 8.21 0.02 . 1 . . . . 4 THR H . 16253 1 21 . 1 1 6 6 THR HA H 1 4.33 0.02 . 1 . . . . 4 THR HA . 16253 1 22 . 1 1 6 6 THR HB H 1 4.23 0.02 . 1 . . . . 4 THR HB . 16253 1 23 . 1 1 6 6 THR HG21 H 1 1.18 0.02 . 1 . . . . 4 THR HG21 . 16253 1 24 . 1 1 6 6 THR HG22 H 1 1.18 0.02 . 1 . . . . 4 THR HG22 . 16253 1 25 . 1 1 6 6 THR HG23 H 1 1.18 0.02 . 1 . . . . 4 THR HG23 . 16253 1 26 . 1 1 6 6 THR C C 13 174.0 0.2 . 1 . . . . 4 THR C . 16253 1 27 . 1 1 6 6 THR CA C 13 61.9 0.2 . 1 . . . . 4 THR CA . 16253 1 28 . 1 1 6 6 THR CB C 13 69.9 0.2 . 1 . . . . 4 THR CB . 16253 1 29 . 1 1 6 6 THR CG2 C 13 21.8 0.2 . 1 . . . . 4 THR CG2 . 16253 1 30 . 1 1 6 6 THR N N 15 115.4 0.2 . 1 . . . . 4 THR N . 16253 1 31 . 1 1 7 7 ASN H H 1 8.44 0.02 . 1 . . . . 5 ASN H . 16253 1 32 . 1 1 7 7 ASN HA H 1 4.95 0.02 . 1 . . . . 5 ASN HA . 16253 1 33 . 1 1 7 7 ASN HB2 H 1 2.85 0.02 . 2 . . . . 5 ASN HB2 . 16253 1 34 . 1 1 7 7 ASN HB3 H 1 2.67 0.02 . 2 . . . . 5 ASN HB3 . 16253 1 35 . 1 1 7 7 ASN HD21 H 1 7.63 0.02 . 2 . . . . 5 ASN HD21 . 16253 1 36 . 1 1 7 7 ASN HD22 H 1 6.96 0.02 . 2 . . . . 5 ASN HD22 . 16253 1 37 . 1 1 7 7 ASN CA C 13 50.9 0.2 . 1 . . . . 5 ASN CA . 16253 1 38 . 1 1 7 7 ASN CB C 13 39.0 0.2 . 1 . . . . 5 ASN CB . 16253 1 39 . 1 1 7 7 ASN N N 15 121.6 0.2 . 1 . . . . 5 ASN N . 16253 1 40 . 1 1 7 7 ASN ND2 N 15 113.0 0.2 . 1 . . . . 5 ASN ND2 . 16253 1 41 . 1 1 8 8 PRO HA H 1 4.31 0.02 . 1 . . . . 6 PRO HA . 16253 1 42 . 1 1 8 8 PRO HB2 H 1 2.12 0.02 . 2 . . . . 6 PRO HB2 . 16253 1 43 . 1 1 8 8 PRO HB3 H 1 1.54 0.02 . 2 . . . . 6 PRO HB3 . 16253 1 44 . 1 1 8 8 PRO HD2 H 1 3.75 0.02 . 2 . . . . 6 PRO HD2 . 16253 1 45 . 1 1 8 8 PRO HD3 H 1 3.75 0.02 . 2 . . . . 6 PRO HD3 . 16253 1 46 . 1 1 8 8 PRO HG2 H 1 1.86 0.02 . 2 . . . . 6 PRO HG2 . 16253 1 47 . 1 1 8 8 PRO HG3 H 1 1.65 0.02 . 2 . . . . 6 PRO HG3 . 16253 1 48 . 1 1 8 8 PRO C C 13 177.1 0.2 . 1 . . . . 6 PRO C . 16253 1 49 . 1 1 8 8 PRO CA C 13 64.0 0.2 . 1 . . . . 6 PRO CA . 16253 1 50 . 1 1 8 8 PRO CB C 13 32.1 0.2 . 1 . . . . 6 PRO CB . 16253 1 51 . 1 1 8 8 PRO CD C 13 50.7 0.2 . 1 . . . . 6 PRO CD . 16253 1 52 . 1 1 8 8 PRO CG C 13 27.0 0.2 . 1 . . . . 6 PRO CG . 16253 1 53 . 1 1 9 9 PHE H H 1 8.02 0.02 . 1 . . . . 7 PHE H . 16253 1 54 . 1 1 9 9 PHE HA H 1 4.48 0.02 . 1 . . . . 7 PHE HA . 16253 1 55 . 1 1 9 9 PHE HB2 H 1 2.96 0.02 . 2 . . . . 7 PHE HB2 . 16253 1 56 . 1 1 9 9 PHE HB3 H 1 3.16 0.02 . 2 . . . . 7 PHE HB3 . 16253 1 57 . 1 1 9 9 PHE HD1 H 1 7.22 0.02 . 3 . . . . 7 PHE HD1 . 16253 1 58 . 1 1 9 9 PHE HD2 H 1 7.22 0.02 . 3 . . . . 7 PHE HD2 . 16253 1 59 . 1 1 9 9 PHE CA C 13 58.3 0.2 . 1 . . . . 7 PHE CA . 16253 1 60 . 1 1 9 9 PHE CB C 13 38.8 0.2 . 1 . . . . 7 PHE CB . 16253 1 61 . 1 1 9 9 PHE CD1 C 13 131.8 0.2 . 3 . . . . 7 PHE CD1 . 16253 1 62 . 1 1 9 9 PHE CD2 C 13 131.8 0.2 . 3 . . . . 7 PHE CD2 . 16253 1 63 . 1 1 9 9 PHE N N 15 117.2 0.2 . 1 . . . . 7 PHE N . 16253 1 64 . 1 1 12 12 ASP C C 13 176.7 0.2 . 1 . . . . 10 ASP C . 16253 1 65 . 1 1 12 12 ASP CA C 13 54.8 0.2 . 1 . . . . 10 ASP CA . 16253 1 66 . 1 1 12 12 ASP CB C 13 41.0 0.2 . 1 . . . . 10 ASP CB . 16253 1 67 . 1 1 13 13 ASN H H 1 8.49 0.02 . 1 . . . . 11 ASN H . 16253 1 68 . 1 1 13 13 ASN HD21 H 1 7.72 0.02 . 2 . . . . 11 ASN HD21 . 16253 1 69 . 1 1 13 13 ASN HD22 H 1 6.95 0.02 . 2 . . . . 11 ASN HD22 . 16253 1 70 . 1 1 13 13 ASN C C 13 175.7 0.2 . 1 . . . . 11 ASN C . 16253 1 71 . 1 1 13 13 ASN CA C 13 53.4 0.2 . 1 . . . . 11 ASN CA . 16253 1 72 . 1 1 13 13 ASN CB C 13 39.2 0.2 . 1 . . . . 11 ASN CB . 16253 1 73 . 1 1 13 13 ASN N N 15 118.5 0.2 . 1 . . . . 11 ASN N . 16253 1 74 . 1 1 13 13 ASN ND2 N 15 114.1 0.2 . 1 . . . . 11 ASN ND2 . 16253 1 75 . 1 1 14 14 GLY H H 1 8.20 0.02 . 1 . . . . 12 GLY H . 16253 1 76 . 1 1 14 14 GLY HA2 H 1 3.99 0.02 . 2 . . . . 12 GLY HA2 . 16253 1 77 . 1 1 14 14 GLY HA3 H 1 3.82 0.02 . 2 . . . . 12 GLY HA3 . 16253 1 78 . 1 1 14 14 GLY C C 13 172.2 0.2 . 1 . . . . 12 GLY C . 16253 1 79 . 1 1 14 14 GLY CA C 13 45.2 0.2 . 1 . . . . 12 GLY CA . 16253 1 80 . 1 1 14 14 GLY N N 15 108.5 0.2 . 1 . . . . 12 GLY N . 16253 1 81 . 1 1 15 15 ALA H H 1 7.67 0.02 . 1 . . . . 13 ALA H . 16253 1 82 . 1 1 15 15 ALA HA H 1 4.60 0.02 . 1 . . . . 13 ALA HA . 16253 1 83 . 1 1 15 15 ALA HB1 H 1 1.08 0.02 . 1 . . . . 13 ALA HB1 . 16253 1 84 . 1 1 15 15 ALA HB2 H 1 1.08 0.02 . 1 . . . . 13 ALA HB2 . 16253 1 85 . 1 1 15 15 ALA HB3 H 1 1.08 0.02 . 1 . . . . 13 ALA HB3 . 16253 1 86 . 1 1 15 15 ALA C C 13 176.5 0.2 . 1 . . . . 13 ALA C . 16253 1 87 . 1 1 15 15 ALA CA C 13 51.4 0.2 . 1 . . . . 13 ALA CA . 16253 1 88 . 1 1 15 15 ALA CB C 13 21.0 0.2 . 1 . . . . 13 ALA CB . 16253 1 89 . 1 1 15 15 ALA N N 15 122.6 0. . 1 . . . . 13 ALA N . 16253 1 90 . 1 1 16 16 PHE H H 1 9.35 0.02 . 1 . . . . 14 PHE H . 16253 1 91 . 1 1 16 16 PHE HA H 1 4.96 0.02 . 1 . . . . 14 PHE HA . 16253 1 92 . 1 1 16 16 PHE HB2 H 1 3.11 0.02 . 2 . . . . 14 PHE HB2 . 16253 1 93 . 1 1 16 16 PHE HB3 H 1 2.91 0.02 . 2 . . . . 14 PHE HB3 . 16253 1 94 . 1 1 16 16 PHE HD1 H 1 6.98 0.02 . 3 . . . . 14 PHE HD1 . 16253 1 95 . 1 1 16 16 PHE HD2 H 1 6.98 0.02 . 3 . . . . 14 PHE HD2 . 16253 1 96 . 1 1 16 16 PHE HE1 H 1 7.50 0.02 . 3 . . . . 14 PHE HE1 . 16253 1 97 . 1 1 16 16 PHE HE2 H 1 7.50 0.02 . 3 . . . . 14 PHE HE2 . 16253 1 98 . 1 1 16 16 PHE C C 13 174.3 0.2 . 1 . . . . 14 PHE C . 16253 1 99 . 1 1 16 16 PHE CA C 13 57.6 0.2 . 1 . . . . 14 PHE CA . 16253 1 100 . 1 1 16 16 PHE CB C 13 45.7 0.2 . 1 . . . . 14 PHE CB . 16253 1 101 . 1 1 16 16 PHE CD1 C 13 131.5 0.2 . 3 . . . . 14 PHE CD1 . 16253 1 102 . 1 1 16 16 PHE CD2 C 13 131.5 0.2 . 3 . . . . 14 PHE CD2 . 16253 1 103 . 1 1 16 16 PHE CE1 C 13 132.0 0.2 . 3 . . . . 14 PHE CE1 . 16253 1 104 . 1 1 16 16 PHE CE2 C 13 132.0 0.2 . 3 . . . . 14 PHE CE2 . 16253 1 105 . 1 1 16 16 PHE N N 15 120.0 0.2 . 1 . . . . 14 PHE N . 16253 1 106 . 1 1 17 17 PHE H H 1 9.55 0.02 . 1 . . . . 15 PHE H . 16253 1 107 . 1 1 17 17 PHE HA H 1 5.60 0.02 . 1 . . . . 15 PHE HA . 16253 1 108 . 1 1 17 17 PHE HB2 H 1 3.39 0.02 . 2 . . . . 15 PHE HB2 . 16253 1 109 . 1 1 17 17 PHE HB3 H 1 2.73 0.02 . 2 . . . . 15 PHE HB3 . 16253 1 110 . 1 1 17 17 PHE HD1 H 1 7.15 0.02 . 3 . . . . 15 PHE HD1 . 16253 1 111 . 1 1 17 17 PHE HD2 H 1 7.15 0.02 . 3 . . . . 15 PHE HD2 . 16253 1 112 . 1 1 17 17 PHE C C 13 177.7 0.2 . 1 . . . . 15 PHE C . 16253 1 113 . 1 1 17 17 PHE CA C 13 55.9 0.2 . 1 . . . . 15 PHE CA . 16253 1 114 . 1 1 17 17 PHE CB C 13 44.1 0.2 . 1 . . . . 15 PHE CB . 16253 1 115 . 1 1 17 17 PHE CD1 C 13 131.8 0.2 . 3 . . . . 15 PHE CD1 . 16253 1 116 . 1 1 17 17 PHE CD2 C 13 131.8 0.2 . 3 . . . . 15 PHE CD2 . 16253 1 117 . 1 1 17 17 PHE N N 15 115.7 0.2 . 1 . . . . 15 PHE N . 16253 1 118 . 1 1 18 18 VAL H H 1 8.67 0.02 . 1 . . . . 16 VAL H . 16253 1 119 . 1 1 18 18 VAL HA H 1 4.22 0.02 . 1 . . . . 16 VAL HA . 16253 1 120 . 1 1 18 18 VAL HB H 1 1.92 0.02 . 1 . . . . 16 VAL HB . 16253 1 121 . 1 1 18 18 VAL HG11 H 1 1.13 0.02 . 2 . . . . 16 VAL HG11 . 16253 1 122 . 1 1 18 18 VAL HG12 H 1 1.13 0.02 . 2 . . . . 16 VAL HG12 . 16253 1 123 . 1 1 18 18 VAL HG13 H 1 1.13 0.02 . 2 . . . . 16 VAL HG13 . 16253 1 124 . 1 1 18 18 VAL HG21 H 1 1.13 0.02 . 2 . . . . 16 VAL HG21 . 16253 1 125 . 1 1 18 18 VAL HG22 H 1 1.13 0.02 . 2 . . . . 16 VAL HG22 . 16253 1 126 . 1 1 18 18 VAL HG23 H 1 1.13 0.02 . 2 . . . . 16 VAL HG23 . 16253 1 127 . 1 1 18 18 VAL C C 13 175.2 0.2 . 1 . . . . 16 VAL C . 16253 1 128 . 1 1 18 18 VAL CA C 13 62.7 0.2 . 1 . . . . 16 VAL CA . 16253 1 129 . 1 1 18 18 VAL CB C 13 32.7 0.2 . 1 . . . . 16 VAL CB . 16253 1 130 . 1 1 18 18 VAL CG1 C 13 22.3 0.2 . 2 . . . . 16 VAL CG1 . 16253 1 131 . 1 1 18 18 VAL CG2 C 13 22.3 0.2 . 2 . . . . 16 VAL CG2 . 16253 1 132 . 1 1 18 18 VAL N N 15 117.2 0.2 . 1 . . . . 16 VAL N . 16253 1 133 . 1 1 19 19 LEU H H 1 9.50 0.02 . 1 . . . . 17 LEU H . 16253 1 134 . 1 1 19 19 LEU HA H 1 5.73 0.02 . 1 . . . . 17 LEU HA . 16253 1 135 . 1 1 19 19 LEU HB2 H 1 1.87 0.02 . 2 . . . . 17 LEU HB2 . 16253 1 136 . 1 1 19 19 LEU HB3 H 1 1.63 0.02 . 2 . . . . 17 LEU HB3 . 16253 1 137 . 1 1 19 19 LEU HD11 H 1 0.59 0.02 . 2 . . . . 17 LEU HD11 . 16253 1 138 . 1 1 19 19 LEU HD12 H 1 0.59 0.02 . 2 . . . . 17 LEU HD12 . 16253 1 139 . 1 1 19 19 LEU HD13 H 1 0.59 0.02 . 2 . . . . 17 LEU HD13 . 16253 1 140 . 1 1 19 19 LEU HD21 H 1 0.07 0.02 . 2 . . . . 17 LEU HD21 . 16253 1 141 . 1 1 19 19 LEU HD22 H 1 0.07 0.02 . 2 . . . . 17 LEU HD22 . 16253 1 142 . 1 1 19 19 LEU HD23 H 1 0.07 0.02 . 2 . . . . 17 LEU HD23 . 16253 1 143 . 1 1 19 19 LEU HG H 1 1.65 0.02 . 1 . . . . 17 LEU HG . 16253 1 144 . 1 1 19 19 LEU C C 13 176.7 0.2 . 1 . . . . 17 LEU C . 16253 1 145 . 1 1 19 19 LEU CA C 13 52.1 0.2 . 1 . . . . 17 LEU CA . 16253 1 146 . 1 1 19 19 LEU CB C 13 46.8 0.2 . 1 . . . . 17 LEU CB . 16253 1 147 . 1 1 19 19 LEU CD1 C 13 24.6 0.2 . 1 . . . . 17 LEU CD1 . 16253 1 148 . 1 1 19 19 LEU CD2 C 13 25.5 0.2 . 1 . . . . 17 LEU CD2 . 16253 1 149 . 1 1 19 19 LEU CG C 13 27.5 0.2 . 1 . . . . 17 LEU CG . 16253 1 150 . 1 1 19 19 LEU N N 15 127.1 0.2 . 1 . . . . 17 LEU N . 16253 1 151 . 1 1 20 20 VAL H H 1 9.17 0.02 . 1 . . . . 18 VAL H . 16253 1 152 . 1 1 20 20 VAL HA H 1 5.71 0.02 . 1 . . . . 18 VAL HA . 16253 1 153 . 1 1 20 20 VAL HB H 1 1.95 0.02 . 1 . . . . 18 VAL HB . 16253 1 154 . 1 1 20 20 VAL HG11 H 1 0.89 0.02 . 2 . . . . 18 VAL HG11 . 16253 1 155 . 1 1 20 20 VAL HG12 H 1 0.89 0.02 . 2 . . . . 18 VAL HG12 . 16253 1 156 . 1 1 20 20 VAL HG13 H 1 0.89 0.02 . 2 . . . . 18 VAL HG13 . 16253 1 157 . 1 1 20 20 VAL HG21 H 1 0.89 0.02 . 2 . . . . 18 VAL HG21 . 16253 1 158 . 1 1 20 20 VAL HG22 H 1 0.89 0.02 . 2 . . . . 18 VAL HG22 . 16253 1 159 . 1 1 20 20 VAL HG23 H 1 0.89 0.02 . 2 . . . . 18 VAL HG23 . 16253 1 160 . 1 1 20 20 VAL C C 13 174.8 0.2 . 1 . . . . 18 VAL C . 16253 1 161 . 1 1 20 20 VAL CA C 13 59.3 0.2 . 1 . . . . 18 VAL CA . 16253 1 162 . 1 1 20 20 VAL CB C 13 36.7 0.2 . 1 . . . . 18 VAL CB . 16253 1 163 . 1 1 20 20 VAL CG1 C 13 21.4 0.2 . 2 . . . . 18 VAL CG1 . 16253 1 164 . 1 1 20 20 VAL CG2 C 13 21.4 0.2 . 2 . . . . 18 VAL CG2 . 16253 1 165 . 1 1 20 20 VAL N N 15 115.9 0.2 . 1 . . . . 18 VAL N . 16253 1 166 . 1 1 21 21 ASN H H 1 7.32 0.02 . 1 . . . . 19 ASN H . 16253 1 167 . 1 1 21 21 ASN HA H 1 4.72 0.02 . 1 . . . . 19 ASN HA . 16253 1 168 . 1 1 21 21 ASN HB2 H 1 2.35 0.02 . 2 . . . . 19 ASN HB2 . 16253 1 169 . 1 1 21 21 ASN HB3 H 1 0.18 0.02 . 2 . . . . 19 ASN HB3 . 16253 1 170 . 1 1 21 21 ASN C C 13 177.7 0.2 . 1 . . . . 19 ASN C . 16253 1 171 . 1 1 21 21 ASN CA C 13 49.7 0.2 . 1 . . . . 19 ASN CA . 16253 1 172 . 1 1 21 21 ASN CB C 13 37.5 0.2 . 1 . . . . 19 ASN CB . 16253 1 173 . 1 1 21 21 ASN N N 15 122.6 0.2 . 1 . . . . 19 ASN N . 16253 1 174 . 1 1 22 22 ASP H H 1 8.24 0.02 . 1 . . . . 20 ASP H . 16253 1 175 . 1 1 22 22 ASP HA H 1 4.40 0.02 . 1 . . . . 20 ASP HA . 16253 1 176 . 1 1 22 22 ASP HB2 H 1 2.69 0.02 . 2 . . . . 20 ASP HB2 . 16253 1 177 . 1 1 22 22 ASP HB3 H 1 2.54 0.02 . 2 . . . . 20 ASP HB3 . 16253 1 178 . 1 1 22 22 ASP C C 13 176.6 0.2 . 1 . . . . 20 ASP C . 16253 1 179 . 1 1 22 22 ASP CA C 13 56.4 0.2 . 1 . . . . 20 ASP CA . 16253 1 180 . 1 1 22 22 ASP CB C 13 40.1 0.2 . 1 . . . . 20 ASP CB . 16253 1 181 . 1 1 22 22 ASP N N 15 117.5 0.2 . 1 . . . . 20 ASP N . 16253 1 182 . 1 1 23 23 GLU H H 1 7.22 0.02 . 1 . . . . 21 GLU H . 16253 1 183 . 1 1 23 23 GLU HA H 1 4.38 0.02 . 1 . . . . 21 GLU HA . 16253 1 184 . 1 1 23 23 GLU HB2 H 1 2.25 0.02 . 2 . . . . 21 GLU HB2 . 16253 1 185 . 1 1 23 23 GLU HB3 H 1 1.65 0.02 . 2 . . . . 21 GLU HB3 . 16253 1 186 . 1 1 23 23 GLU HG2 H 1 2.08 0.02 . 2 . . . . 21 GLU HG2 . 16253 1 187 . 1 1 23 23 GLU HG3 H 1 2.08 0.02 . 2 . . . . 21 GLU HG3 . 16253 1 188 . 1 1 23 23 GLU C C 13 175.5 0.2 . 1 . . . . 21 GLU C . 16253 1 189 . 1 1 23 23 GLU CA C 13 55.6 0.2 . 1 . . . . 21 GLU CA . 16253 1 190 . 1 1 23 23 GLU CB C 13 29.5 0.2 . 1 . . . . 21 GLU CB . 16253 1 191 . 1 1 23 23 GLU CG C 13 36.5 0.2 . 1 . . . . 21 GLU CG . 16253 1 192 . 1 1 23 23 GLU N N 15 118.1 0.2 . 1 . . . . 21 GLU N . 16253 1 193 . 1 1 24 24 ASP H H 1 8.03 0.02 . 1 . . . . 22 ASP H . 16253 1 194 . 1 1 24 24 ASP HA H 1 4.28 0.02 . 1 . . . . 22 ASP HA . 16253 1 195 . 1 1 24 24 ASP HB2 H 1 3.15 0.02 . 2 . . . . 22 ASP HB2 . 16253 1 196 . 1 1 24 24 ASP HB3 H 1 2.71 0.02 . 2 . . . . 22 ASP HB3 . 16253 1 197 . 1 1 24 24 ASP CA C 13 56.2 0.2 . 1 . . . . 22 ASP CA . 16253 1 198 . 1 1 24 24 ASP CB C 13 40.0 0.2 . 1 . . . . 22 ASP CB . 16253 1 199 . 1 1 24 24 ASP N N 15 115.7 0.2 . 1 . . . . 22 ASP N . 16253 1 200 . 1 1 25 25 GLN H H 1 7.71 0.02 . 1 . . . . 23 GLN H . 16253 1 201 . 1 1 25 25 GLN HA H 1 4.27 0.02 . 1 . . . . 23 GLN HA . 16253 1 202 . 1 1 25 25 GLN HB2 H 1 1.96 0.02 . 2 . . . . 23 GLN HB2 . 16253 1 203 . 1 1 25 25 GLN HB3 H 1 1.80 0.02 . 2 . . . . 23 GLN HB3 . 16253 1 204 . 1 1 25 25 GLN HG2 H 1 2.32 0.02 . 2 . . . . 23 GLN HG2 . 16253 1 205 . 1 1 25 25 GLN HG3 H 1 2.32 0.02 . 2 . . . . 23 GLN HG3 . 16253 1 206 . 1 1 25 25 GLN C C 13 175.3 0.2 . 1 . . . . 23 GLN C . 16253 1 207 . 1 1 25 25 GLN CA C 13 55.2 0.2 . 1 . . . . 23 GLN CA . 16253 1 208 . 1 1 25 25 GLN CB C 13 29.4 0.2 . 1 . . . . 23 GLN CB . 16253 1 209 . 1 1 25 25 GLN N N 15 116.8 0.2 . 1 . . . . 23 GLN N . 16253 1 210 . 1 1 26 26 HIS H H 1 8.87 0.02 . 1 . . . . 24 HIS H . 16253 1 211 . 1 1 26 26 HIS HA H 1 6.03 0.02 . 1 . . . . 24 HIS HA . 16253 1 212 . 1 1 26 26 HIS HB2 H 1 2.62 0.02 . 2 . . . . 24 HIS HB2 . 16253 1 213 . 1 1 26 26 HIS HB3 H 1 2.41 0.02 . 2 . . . . 24 HIS HB3 . 16253 1 214 . 1 1 26 26 HIS CA C 13 54.4 0.2 . 1 . . . . 24 HIS CA . 16253 1 215 . 1 1 26 26 HIS CB C 13 32.7 0.2 . 1 . . . . 24 HIS CB . 16253 1 216 . 1 1 26 26 HIS N N 15 113.4 0.2 . 1 . . . . 24 HIS N . 16253 1 217 . 1 1 27 27 SER HB2 H 1 3.50 0.02 . 2 . . . . 25 SER HB2 . 16253 1 218 . 1 1 27 27 SER HB3 H 1 3.22 0.02 . 2 . . . . 25 SER HB3 . 16253 1 219 . 1 1 27 27 SER CB C 13 66.8 0.2 . 1 . . . . 25 SER CB . 16253 1 220 . 1 1 28 28 LEU HA H 1 5.43 0.02 . 1 . . . . 26 LEU HA . 16253 1 221 . 1 1 28 28 LEU HB2 H 1 1.64 0.02 . 2 . . . . 26 LEU HB2 . 16253 1 222 . 1 1 28 28 LEU HB3 H 1 1.64 0.02 . 2 . . . . 26 LEU HB3 . 16253 1 223 . 1 1 28 28 LEU HD11 H 1 0.79 0.02 . 2 . . . . 26 LEU HD11 . 16253 1 224 . 1 1 28 28 LEU HD12 H 1 0.79 0.02 . 2 . . . . 26 LEU HD12 . 16253 1 225 . 1 1 28 28 LEU HD13 H 1 0.79 0.02 . 2 . . . . 26 LEU HD13 . 16253 1 226 . 1 1 28 28 LEU HD21 H 1 0.60 0.02 . 2 . . . . 26 LEU HD21 . 16253 1 227 . 1 1 28 28 LEU HD22 H 1 0.60 0.02 . 2 . . . . 26 LEU HD22 . 16253 1 228 . 1 1 28 28 LEU HD23 H 1 0.60 0.02 . 2 . . . . 26 LEU HD23 . 16253 1 229 . 1 1 28 28 LEU HG H 1 1.69 0.02 . 1 . . . . 26 LEU HG . 16253 1 230 . 1 1 28 28 LEU CA C 13 56.1 0.2 . 1 . . . . 26 LEU CA . 16253 1 231 . 1 1 28 28 LEU CB C 13 43.6 0.2 . 1 . . . . 26 LEU CB . 16253 1 232 . 1 1 28 28 LEU CD1 C 13 24.4 0.2 . 2 . . . . 26 LEU CD1 . 16253 1 233 . 1 1 28 28 LEU CD2 C 13 25.7 0.2 . 2 . . . . 26 LEU CD2 . 16253 1 234 . 1 1 28 28 LEU CG C 13 30.5 0.2 . 1 . . . . 26 LEU CG . 16253 1 235 . 1 1 29 29 TRP HA H 1 5.32 0.02 . 1 . . . . 27 TRP HA . 16253 1 236 . 1 1 29 29 TRP HB2 H 1 3.14 0.02 . 2 . . . . 27 TRP HB2 . 16253 1 237 . 1 1 29 29 TRP HB3 H 1 2.99 0.02 . 2 . . . . 27 TRP HB3 . 16253 1 238 . 1 1 29 29 TRP HD1 H 1 7.08 0.02 . 1 . . . . 27 TRP HD1 . 16253 1 239 . 1 1 29 29 TRP HE1 H 1 9.05 0.02 . 1 . . . . 27 TRP HE1 . 16253 1 240 . 1 1 29 29 TRP HE3 H 1 7.59 0.02 . 1 . . . . 27 TRP HE3 . 16253 1 241 . 1 1 29 29 TRP HZ3 H 1 7.45 0.02 . 1 . . . . 27 TRP HZ3 . 16253 1 242 . 1 1 29 29 TRP CA C 13 54.1 0.2 . 1 . . . . 27 TRP CA . 16253 1 243 . 1 1 29 29 TRP CB C 13 36.0 0.2 . 1 . . . . 27 TRP CB . 16253 1 244 . 1 1 29 29 TRP CD1 C 13 127.5 0.2 . 1 . . . . 27 TRP CD1 . 16253 1 245 . 1 1 29 29 TRP NE1 N 15 129.5 0.2 . 1 . . . . 27 TRP NE1 . 16253 1 246 . 1 1 30 30 PRO HD2 H 1 3.06 0.02 . 2 . . . . 28 PRO HD2 . 16253 1 247 . 1 1 30 30 PRO HD3 H 1 1.97 0.02 . 2 . . . . 28 PRO HD3 . 16253 1 248 . 1 1 30 30 PRO C C 13 177.5 0.2 . 1 . . . . 28 PRO C . 16253 1 249 . 1 1 30 30 PRO CA C 13 62.4 0.2 . 1 . . . . 28 PRO CA . 16253 1 250 . 1 1 30 30 PRO CB C 13 31.7 0.2 . 1 . . . . 28 PRO CB . 16253 1 251 . 1 1 30 30 PRO CD C 13 50.1 0.2 . 1 . . . . 28 PRO CD . 16253 1 252 . 1 1 30 30 PRO CG C 13 26.6 0.2 . 1 . . . . 28 PRO CG . 16253 1 253 . 1 1 31 31 VAL H H 1 7.00 0.02 . 1 . . . . 29 VAL H . 16253 1 254 . 1 1 31 31 VAL HA H 1 3.71 0.02 . 1 . . . . 29 VAL HA . 16253 1 255 . 1 1 31 31 VAL HB H 1 1.57 0.02 . 1 . . . . 29 VAL HB . 16253 1 256 . 1 1 31 31 VAL HG11 H 1 0.31 0.02 . 2 . . . . 29 VAL HG11 . 16253 1 257 . 1 1 31 31 VAL HG12 H 1 0.31 0.02 . 2 . . . . 29 VAL HG12 . 16253 1 258 . 1 1 31 31 VAL HG13 H 1 0.31 0.02 . 2 . . . . 29 VAL HG13 . 16253 1 259 . 1 1 31 31 VAL HG21 H 1 0.11 0.02 . 2 . . . . 29 VAL HG21 . 16253 1 260 . 1 1 31 31 VAL HG22 H 1 0.11 0.02 . 2 . . . . 29 VAL HG22 . 16253 1 261 . 1 1 31 31 VAL HG23 H 1 0.11 0.02 . 2 . . . . 29 VAL HG23 . 16253 1 262 . 1 1 31 31 VAL CA C 13 63.6 0.2 . 1 . . . . 29 VAL CA . 16253 1 263 . 1 1 31 31 VAL CB C 13 31.2 0.2 . 1 . . . . 29 VAL CB . 16253 1 264 . 1 1 31 31 VAL CG1 C 13 19.8 0.2 . 2 . . . . 29 VAL CG1 . 16253 1 265 . 1 1 31 31 VAL CG2 C 13 20.1 0.2 . 2 . . . . 29 VAL CG2 . 16253 1 266 . 1 1 31 31 VAL N N 15 114.1 0.2 . 1 . . . . 29 VAL N . 16253 1 267 . 1 1 33 33 ALA HB1 H 1 1.10 0.02 . 1 . . . . 31 ALA HB1 . 16253 1 268 . 1 1 33 33 ALA HB2 H 1 1.10 0.02 . 1 . . . . 31 ALA HB2 . 16253 1 269 . 1 1 33 33 ALA HB3 H 1 1.10 0.02 . 1 . . . . 31 ALA HB3 . 16253 1 270 . 1 1 33 33 ALA C C 13 177.5 0.2 . 1 . . . . 31 ALA C . 16253 1 271 . 1 1 33 33 ALA CA C 13 50.9 0.2 . 1 . . . . 31 ALA CA . 16253 1 272 . 1 1 33 33 ALA CB C 13 20.2 0.2 . 1 . . . . 31 ALA CB . 16253 1 273 . 1 1 34 34 ASP H H 1 8.83 0.02 . 1 . . . . 32 ASP H . 16253 1 274 . 1 1 34 34 ASP HA H 1 4.50 0.02 . 1 . . . . 32 ASP HA . 16253 1 275 . 1 1 34 34 ASP HB2 H 1 2.66 0.02 . 2 . . . . 32 ASP HB2 . 16253 1 276 . 1 1 34 34 ASP HB3 H 1 2.66 0.02 . 2 . . . . 32 ASP HB3 . 16253 1 277 . 1 1 34 34 ASP C C 13 176.9 0.2 . 1 . . . . 32 ASP C . 16253 1 278 . 1 1 34 34 ASP CA C 13 55.2 0.2 . 1 . . . . 32 ASP CA . 16253 1 279 . 1 1 34 34 ASP CB C 13 40.4 0.2 . 1 . . . . 32 ASP CB . 16253 1 280 . 1 1 34 34 ASP N N 15 124.6 0.2 . 1 . . . . 32 ASP N . 16253 1 281 . 1 1 35 35 ILE H H 1 8.59 0.02 . 1 . . . . 33 ILE H . 16253 1 282 . 1 1 35 35 ILE HA H 1 3.61 0.02 . 1 . . . . 33 ILE HA . 16253 1 283 . 1 1 35 35 ILE HB H 1 1.69 0.02 . 1 . . . . 33 ILE HB . 16253 1 284 . 1 1 35 35 ILE HD11 H 1 0.61 0.02 . 1 . . . . 33 ILE HD11 . 16253 1 285 . 1 1 35 35 ILE HD12 H 1 0.61 0.02 . 1 . . . . 33 ILE HD12 . 16253 1 286 . 1 1 35 35 ILE HD13 H 1 0.61 0.02 . 1 . . . . 33 ILE HD13 . 16253 1 287 . 1 1 35 35 ILE HG12 H 1 1.52 0.02 . 2 . . . . 33 ILE HG12 . 16253 1 288 . 1 1 35 35 ILE HG13 H 1 1.12 0.02 . 2 . . . . 33 ILE HG13 . 16253 1 289 . 1 1 35 35 ILE HG21 H 1 0.65 0.02 . 1 . . . . 33 ILE HG21 . 16253 1 290 . 1 1 35 35 ILE HG22 H 1 0.65 0.02 . 1 . . . . 33 ILE HG22 . 16253 1 291 . 1 1 35 35 ILE HG23 H 1 0.65 0.02 . 1 . . . . 33 ILE HG23 . 16253 1 292 . 1 1 35 35 ILE C C 13 176.1 0.2 . 1 . . . . 33 ILE C . 16253 1 293 . 1 1 35 35 ILE CA C 13 58.6 0.2 . 1 . . . . 33 ILE CA . 16253 1 294 . 1 1 35 35 ILE CB C 13 37.6 0.2 . 1 . . . . 33 ILE CB . 16253 1 295 . 1 1 35 35 ILE CD1 C 13 12.1 0.2 . 1 . . . . 33 ILE CD1 . 16253 1 296 . 1 1 35 35 ILE CG1 C 13 27.9 0.2 . 1 . . . . 33 ILE CG1 . 16253 1 297 . 1 1 35 35 ILE CG2 C 13 17.1 0.2 . 1 . . . . 33 ILE CG2 . 16253 1 298 . 1 1 35 35 ILE N N 15 125.2 0.2 . 1 . . . . 33 ILE N . 16253 1 299 . 1 1 36 36 PRO HA H 1 4.29 0.02 . 1 . . . . 34 PRO HA . 16253 1 300 . 1 1 36 36 PRO HB2 H 1 1.98 0.02 . 2 . . . . 34 PRO HB2 . 16253 1 301 . 1 1 36 36 PRO HB3 H 1 1.61 0.02 . 2 . . . . 34 PRO HB3 . 16253 1 302 . 1 1 36 36 PRO HD2 H 1 2.55 0.02 . 2 . . . . 34 PRO HD2 . 16253 1 303 . 1 1 36 36 PRO HD3 H 1 2.10 0.02 . 2 . . . . 34 PRO HD3 . 16253 1 304 . 1 1 36 36 PRO HG2 H 1 0.80 0.02 . 2 . . . . 34 PRO HG2 . 16253 1 305 . 1 1 36 36 PRO HG3 H 1 0.74 0.02 . 2 . . . . 34 PRO HG3 . 16253 1 306 . 1 1 36 36 PRO C C 13 179.4 0.2 . 1 . . . . 34 PRO C . 16253 1 307 . 1 1 36 36 PRO CA C 13 62.6 0.2 . 1 . . . . 34 PRO CA . 16253 1 308 . 1 1 36 36 PRO CB C 13 31.6 0.2 . 1 . . . . 34 PRO CB . 16253 1 309 . 1 1 36 36 PRO CD C 13 50.1 0.2 . 1 . . . . 34 PRO CD . 16253 1 310 . 1 1 36 36 PRO CG C 13 26.4 0.2 . 1 . . . . 34 PRO CG . 16253 1 311 . 1 1 37 37 ALA H H 1 8.30 0.02 . 1 . . . . 35 ALA H . 16253 1 312 . 1 1 37 37 ALA HA H 1 4.19 0.02 . 1 . . . . 35 ALA HA . 16253 1 313 . 1 1 37 37 ALA HB1 H 1 1.42 0.02 . 1 . . . . 35 ALA HB1 . 16253 1 314 . 1 1 37 37 ALA HB2 H 1 1.42 0.02 . 1 . . . . 35 ALA HB2 . 16253 1 315 . 1 1 37 37 ALA HB3 H 1 1.42 0.02 . 1 . . . . 35 ALA HB3 . 16253 1 316 . 1 1 37 37 ALA CA C 13 53.6 0.2 . 1 . . . . 35 ALA CA . 16253 1 317 . 1 1 37 37 ALA CB C 13 18.4 0.2 . 1 . . . . 35 ALA CB . 16253 1 318 . 1 1 37 37 ALA N N 15 123.6 0.2 . 1 . . . . 35 ALA N . 16253 1 319 . 1 1 38 38 GLY H H 1 8.74 0.02 . 1 . . . . 36 GLY H . 16253 1 320 . 1 1 38 38 GLY HA2 H 1 4.21 0.02 . 2 . . . . 36 GLY HA2 . 16253 1 321 . 1 1 38 38 GLY HA3 H 1 3.60 0.02 . 2 . . . . 36 GLY HA3 . 16253 1 322 . 1 1 38 38 GLY C C 13 174.0 0.2 . 1 . . . . 36 GLY C . 16253 1 323 . 1 1 38 38 GLY CA C 13 45.0 0.2 . 1 . . . . 36 GLY CA . 16253 1 324 . 1 1 38 38 GLY N N 15 110.2 0.2 . 1 . . . . 36 GLY N . 16253 1 325 . 1 1 39 39 TRP H H 1 7.70 0.02 . 1 . . . . 37 TRP H . 16253 1 326 . 1 1 39 39 TRP HA H 1 4.90 0.02 . 1 . . . . 37 TRP HA . 16253 1 327 . 1 1 39 39 TRP HB2 H 1 2.85 0.02 . 2 . . . . 37 TRP HB2 . 16253 1 328 . 1 1 39 39 TRP HB3 H 1 2.76 0.02 . 2 . . . . 37 TRP HB3 . 16253 1 329 . 1 1 39 39 TRP HD1 H 1 6.97 0.02 . 1 . . . . 37 TRP HD1 . 16253 1 330 . 1 1 39 39 TRP HE1 H 1 10.16 0.02 . 1 . . . . 37 TRP HE1 . 16253 1 331 . 1 1 39 39 TRP C C 13 175.0 0.2 . 1 . . . . 37 TRP C . 16253 1 332 . 1 1 39 39 TRP CA C 13 56.0 0.2 . 1 . . . . 37 TRP CA . 16253 1 333 . 1 1 39 39 TRP CB C 13 31.8 0.2 . 1 . . . . 37 TRP CB . 16253 1 334 . 1 1 39 39 TRP CD1 C 13 128.2 0.2 . 1 . . . . 37 TRP CD1 . 16253 1 335 . 1 1 39 39 TRP N N 15 120.8 0.2 . 1 . . . . 37 TRP N . 16253 1 336 . 1 1 39 39 TRP NE1 N 15 129.6 0.2 . 1 . . . . 37 TRP NE1 . 16253 1 337 . 1 1 40 40 ARG H H 1 9.05 0.02 . 1 . . . . 38 ARG H . 16253 1 338 . 1 1 40 40 ARG HB2 H 1 1.67 0.02 . 2 . . . . 38 ARG HB2 . 16253 1 339 . 1 1 40 40 ARG HB3 H 1 1.67 0.02 . 2 . . . . 38 ARG HB3 . 16253 1 340 . 1 1 40 40 ARG HD2 H 1 3.07 0.02 . 2 . . . . 38 ARG HD2 . 16253 1 341 . 1 1 40 40 ARG HD3 H 1 3.07 0.02 . 2 . . . . 38 ARG HD3 . 16253 1 342 . 1 1 40 40 ARG HG2 H 1 1.57 0.02 . 2 . . . . 38 ARG HG2 . 16253 1 343 . 1 1 40 40 ARG HG3 H 1 1.34 0.02 . 2 . . . . 38 ARG HG3 . 16253 1 344 . 1 1 40 40 ARG C C 13 174.9 0.2 . 1 . . . . 38 ARG C . 16253 1 345 . 1 1 40 40 ARG CA C 13 54.0 0.2 . 1 . . . . 38 ARG CA . 16253 1 346 . 1 1 40 40 ARG CB C 13 33.3 0.2 . 1 . . . . 38 ARG CB . 16253 1 347 . 1 1 40 40 ARG CD C 13 43.4 0.2 . 1 . . . . 38 ARG CD . 16253 1 348 . 1 1 40 40 ARG CG C 13 26.9 0.2 . 1 . . . . 38 ARG CG . 16253 1 349 . 1 1 40 40 ARG N N 15 118.2 0.2 . 1 . . . . 38 ARG N . 16253 1 350 . 1 1 41 41 VAL H H 1 8.66 0.02 . 1 . . . . 39 VAL H . 16253 1 351 . 1 1 41 41 VAL HA H 1 4.04 0.02 . 1 . . . . 39 VAL HA . 16253 1 352 . 1 1 41 41 VAL HB H 1 1.69 0.02 . 1 . . . . 39 VAL HB . 16253 1 353 . 1 1 41 41 VAL HG11 H 1 0.61 0.02 . 2 . . . . 39 VAL HG11 . 16253 1 354 . 1 1 41 41 VAL HG12 H 1 0.61 0.02 . 2 . . . . 39 VAL HG12 . 16253 1 355 . 1 1 41 41 VAL HG13 H 1 0.61 0.02 . 2 . . . . 39 VAL HG13 . 16253 1 356 . 1 1 41 41 VAL HG21 H 1 0.21 0.02 . 2 . . . . 39 VAL HG21 . 16253 1 357 . 1 1 41 41 VAL HG22 H 1 0.21 0.02 . 2 . . . . 39 VAL HG22 . 16253 1 358 . 1 1 41 41 VAL HG23 H 1 0.21 0.02 . 2 . . . . 39 VAL HG23 . 16253 1 359 . 1 1 41 41 VAL C C 13 178.0 0.2 . 1 . . . . 39 VAL C . 16253 1 360 . 1 1 41 41 VAL CA C 13 63.8 0.2 . 1 . . . . 39 VAL CA . 16253 1 361 . 1 1 41 41 VAL CB C 13 32.4 0.2 . 1 . . . . 39 VAL CB . 16253 1 362 . 1 1 41 41 VAL CG1 C 13 22.0 0.2 . 2 . . . . 39 VAL CG1 . 16253 1 363 . 1 1 41 41 VAL CG2 C 13 21.2 0.2 . 2 . . . . 39 VAL CG2 . 16253 1 364 . 1 1 41 41 VAL N N 15 122.7 0.2 . 1 . . . . 39 VAL N . 16253 1 365 . 1 1 42 42 VAL H H 1 9.09 0.02 . 1 . . . . 40 VAL H . 16253 1 366 . 1 1 42 42 VAL HA H 1 4.74 0.02 . 1 . . . . 40 VAL HA . 16253 1 367 . 1 1 42 42 VAL HB H 1 2.47 0.02 . 1 . . . . 40 VAL HB . 16253 1 368 . 1 1 42 42 VAL HG11 H 1 0.95 0.02 . 2 . . . . 40 VAL HG11 . 16253 1 369 . 1 1 42 42 VAL HG12 H 1 0.95 0.02 . 2 . . . . 40 VAL HG12 . 16253 1 370 . 1 1 42 42 VAL HG13 H 1 0.95 0.02 . 2 . . . . 40 VAL HG13 . 16253 1 371 . 1 1 42 42 VAL HG21 H 1 0.95 0.02 . 2 . . . . 40 VAL HG21 . 16253 1 372 . 1 1 42 42 VAL HG22 H 1 0.95 0.02 . 2 . . . . 40 VAL HG22 . 16253 1 373 . 1 1 42 42 VAL HG23 H 1 0.95 0.02 . 2 . . . . 40 VAL HG23 . 16253 1 374 . 1 1 42 42 VAL C C 13 174.8 0.2 . 1 . . . . 40 VAL C . 16253 1 375 . 1 1 42 42 VAL CA C 13 61.0 0.2 . 1 . . . . 40 VAL CA . 16253 1 376 . 1 1 42 42 VAL CB C 13 34.1 0.2 . 1 . . . . 40 VAL CB . 16253 1 377 . 1 1 42 42 VAL CG1 C 13 20.3 0.2 . 2 . . . . 40 VAL CG1 . 16253 1 378 . 1 1 42 42 VAL CG2 C 13 20.3 0.2 . 2 . . . . 40 VAL CG2 . 16253 1 379 . 1 1 42 42 VAL N N 15 119.8 0.2 . 1 . . . . 40 VAL N . 16253 1 380 . 1 1 43 43 HIS H H 1 7.70 0.02 . 1 . . . . 41 HIS H . 16253 1 381 . 1 1 43 43 HIS HA H 1 4.53 0.02 . 1 . . . . 41 HIS HA . 16253 1 382 . 1 1 43 43 HIS HB2 H 1 2.13 0.02 . 2 . . . . 41 HIS HB2 . 16253 1 383 . 1 1 43 43 HIS HB3 H 1 1.95 0.02 . 2 . . . . 41 HIS HB3 . 16253 1 384 . 1 1 43 43 HIS C C 13 173.4 0.2 . 1 . . . . 41 HIS C . 16253 1 385 . 1 1 43 43 HIS CA C 13 57.5 0.2 . 1 . . . . 41 HIS CA . 16253 1 386 . 1 1 43 43 HIS CB C 13 32.8 0.2 . 1 . . . . 41 HIS CB . 16253 1 387 . 1 1 43 43 HIS N N 15 119.7 0. . 1 . . . . 41 HIS N . 16253 1 388 . 1 1 44 44 GLY H H 1 7.59 0.02 . 1 . . . . 42 GLY H . 16253 1 389 . 1 1 44 44 GLY HA2 H 1 4.89 0.02 . 2 . . . . 42 GLY HA2 . 16253 1 390 . 1 1 44 44 GLY HA3 H 1 3.06 0.02 . 2 . . . . 42 GLY HA3 . 16253 1 391 . 1 1 44 44 GLY C C 13 174.6 0.2 . 1 . . . . 42 GLY C . 16253 1 392 . 1 1 44 44 GLY CA C 13 42.4 0.2 . 1 . . . . 42 GLY CA . 16253 1 393 . 1 1 44 44 GLY N N 15 112.0 0.2 . 1 . . . . 42 GLY N . 16253 1 394 . 1 1 45 45 GLU H H 1 8.70 0.02 . 1 . . . . 43 GLU H . 16253 1 395 . 1 1 45 45 GLU HA H 1 4.12 0.02 . 1 . . . . 43 GLU HA . 16253 1 396 . 1 1 45 45 GLU HB2 H 1 1.59 0.02 . 2 . . . . 43 GLU HB2 . 16253 1 397 . 1 1 45 45 GLU HB3 H 1 1.59 0.02 . 2 . . . . 43 GLU HB3 . 16253 1 398 . 1 1 45 45 GLU HG2 H 1 2.11 0.02 . 2 . . . . 43 GLU HG2 . 16253 1 399 . 1 1 45 45 GLU HG3 H 1 1.98 0.02 . 2 . . . . 43 GLU HG3 . 16253 1 400 . 1 1 45 45 GLU C C 13 175.2 0.2 . 1 . . . . 43 GLU C . 16253 1 401 . 1 1 45 45 GLU CA C 13 56.9 0.2 . 1 . . . . 43 GLU CA . 16253 1 402 . 1 1 45 45 GLU CB C 13 30.9 0.2 . 1 . . . . 43 GLU CB . 16253 1 403 . 1 1 45 45 GLU CG C 13 35.3 0.2 . 1 . . . . 43 GLU CG . 16253 1 404 . 1 1 45 45 GLU N N 15 121.7 0.2 . 1 . . . . 43 GLU N . 16253 1 405 . 1 1 46 46 ALA H H 1 9.40 0.02 . 1 . . . . 44 ALA H . 16253 1 406 . 1 1 46 46 ALA HB1 H 1 1.58 0.02 . 1 . . . . 44 ALA HB1 . 16253 1 407 . 1 1 46 46 ALA HB2 H 1 1.58 0.02 . 1 . . . . 44 ALA HB2 . 16253 1 408 . 1 1 46 46 ALA HB3 H 1 1.58 0.02 . 1 . . . . 44 ALA HB3 . 16253 1 409 . 1 1 46 46 ALA C C 13 175.1 0.2 . 1 . . . . 44 ALA C . 16253 1 410 . 1 1 46 46 ALA CA C 13 51.1 0.2 . 1 . . . . 44 ALA CA . 16253 1 411 . 1 1 46 46 ALA CB C 13 22.3 0.2 . 1 . . . . 44 ALA CB . 16253 1 412 . 1 1 46 46 ALA N N 15 127.0 0.2 . 1 . . . . 44 ALA N . 16253 1 413 . 1 1 47 47 SER H H 1 8.71 0.02 . 1 . . . . 45 SER H . 16253 1 414 . 1 1 47 47 SER HA H 1 4.73 0.02 . 1 . . . . 45 SER HA . 16253 1 415 . 1 1 47 47 SER HB2 H 1 4.53 0.02 . 2 . . . . 45 SER HB2 . 16253 1 416 . 1 1 47 47 SER HB3 H 1 4.18 0.02 . 2 . . . . 45 SER HB3 . 16253 1 417 . 1 1 47 47 SER C C 13 175.0 0.2 . 1 . . . . 45 SER C . 16253 1 418 . 1 1 47 47 SER CA C 13 57.9 0.2 . 1 . . . . 45 SER CA . 16253 1 419 . 1 1 47 47 SER CB C 13 64.9 0.2 . 1 . . . . 45 SER CB . 16253 1 420 . 1 1 47 47 SER N N 15 115.3 0.2 . 1 . . . . 45 SER N . 16253 1 421 . 1 1 48 48 ARG H H 1 9.52 0.02 . 1 . . . . 46 ARG H . 16253 1 422 . 1 1 48 48 ARG HA H 1 3.39 0.02 . 1 . . . . 46 ARG HA . 16253 1 423 . 1 1 48 48 ARG HB2 H 1 1.80 0.02 . 2 . . . . 46 ARG HB2 . 16253 1 424 . 1 1 48 48 ARG HB3 H 1 1.69 0.02 . 2 . . . . 46 ARG HB3 . 16253 1 425 . 1 1 48 48 ARG HD2 H 1 2.91 0.02 . 2 . . . . 46 ARG HD2 . 16253 1 426 . 1 1 48 48 ARG HD3 H 1 2.75 0.02 . 2 . . . . 46 ARG HD3 . 16253 1 427 . 1 1 48 48 ARG HG2 H 1 1.19 0.02 . 2 . . . . 46 ARG HG2 . 16253 1 428 . 1 1 48 48 ARG HG3 H 1 0.63 0.02 . 2 . . . . 46 ARG HG3 . 16253 1 429 . 1 1 48 48 ARG C C 13 178.3 0.2 . 1 . . . . 46 ARG C . 16253 1 430 . 1 1 48 48 ARG CA C 13 61.0 0.2 . 1 . . . . 46 ARG CA . 16253 1 431 . 1 1 48 48 ARG CB C 13 30.1 0.2 . 1 . . . . 46 ARG CB . 16253 1 432 . 1 1 48 48 ARG CD C 13 43.0 0.2 . 1 . . . . 46 ARG CD . 16253 1 433 . 1 1 48 48 ARG CG C 13 27.7 0.2 . 1 . . . . 46 ARG CG . 16253 1 434 . 1 1 48 48 ARG N N 15 123.4 0.2 . 1 . . . . 46 ARG N . 16253 1 435 . 1 1 49 49 ALA H H 1 8.62 0.02 . 1 . . . . 47 ALA H . 16253 1 436 . 1 1 49 49 ALA HA H 1 3.97 0.02 . 1 . . . . 47 ALA HA . 16253 1 437 . 1 1 49 49 ALA HB1 H 1 1.43 0.02 . 1 . . . . 47 ALA HB1 . 16253 1 438 . 1 1 49 49 ALA HB2 H 1 1.43 0.02 . 1 . . . . 47 ALA HB2 . 16253 1 439 . 1 1 49 49 ALA HB3 H 1 1.43 0.02 . 1 . . . . 47 ALA HB3 . 16253 1 440 . 1 1 49 49 ALA C C 13 180.5 0.2 . 1 . . . . 47 ALA C . 16253 1 441 . 1 1 49 49 ALA CA C 13 55.4 0.2 . 1 . . . . 47 ALA CA . 16253 1 442 . 1 1 49 49 ALA CB C 13 18.2 0.2 . 1 . . . . 47 ALA CB . 16253 1 443 . 1 1 49 49 ALA N N 15 118.8 0.2 . 1 . . . . 47 ALA N . 16253 1 444 . 1 1 50 50 ALA H H 1 8.13 0.02 . 1 . . . . 48 ALA H . 16253 1 445 . 1 1 50 50 ALA HA H 1 4.26 0.02 . 1 . . . . 48 ALA HA . 16253 1 446 . 1 1 50 50 ALA HB1 H 1 1.72 0.02 . 1 . . . . 48 ALA HB1 . 16253 1 447 . 1 1 50 50 ALA HB2 H 1 1.72 0.02 . 1 . . . . 48 ALA HB2 . 16253 1 448 . 1 1 50 50 ALA HB3 H 1 1.72 0.02 . 1 . . . . 48 ALA HB3 . 16253 1 449 . 1 1 50 50 ALA C C 13 182.5 0.2 . 1 . . . . 48 ALA C . 16253 1 450 . 1 1 50 50 ALA CA C 13 54.9 0.2 . 1 . . . . 48 ALA CA . 16253 1 451 . 1 1 50 50 ALA CB C 13 19.1 0.2 . 1 . . . . 48 ALA CB . 16253 1 452 . 1 1 50 50 ALA N N 15 122.1 0.2 . 1 . . . . 48 ALA N . 16253 1 453 . 1 1 51 51 CYS H H 1 8.53 0.02 . 1 . . . . 49 CYS H . 16253 1 454 . 1 1 51 51 CYS HA H 1 4.07 0.02 . 1 . . . . 49 CYS HA . 16253 1 455 . 1 1 51 51 CYS HB2 H 1 3.16 0.02 . 2 . . . . 49 CYS HB2 . 16253 1 456 . 1 1 51 51 CYS HB3 H 1 2.46 0.02 . 2 . . . . 49 CYS HB3 . 16253 1 457 . 1 1 51 51 CYS C C 13 176.8 0.2 . 1 . . . . 49 CYS C . 16253 1 458 . 1 1 51 51 CYS CA C 13 65.0 0.2 . 1 . . . . 49 CYS CA . 16253 1 459 . 1 1 51 51 CYS CB C 13 27.1 0.2 . 1 . . . . 49 CYS CB . 16253 1 460 . 1 1 51 51 CYS N N 15 119.0 0.2 . 1 . . . . 49 CYS N . 16253 1 461 . 1 1 52 52 LEU H H 1 8.66 0.02 . 1 . . . . 50 LEU H . 16253 1 462 . 1 1 52 52 LEU HA H 1 3.99 0.02 . 1 . . . . 50 LEU HA . 16253 1 463 . 1 1 52 52 LEU HB2 H 1 1.85 0.02 . 2 . . . . 50 LEU HB2 . 16253 1 464 . 1 1 52 52 LEU HB3 H 1 1.48 0.02 . 2 . . . . 50 LEU HB3 . 16253 1 465 . 1 1 52 52 LEU HD11 H 1 0.79 0.02 . 2 . . . . 50 LEU HD11 . 16253 1 466 . 1 1 52 52 LEU HD12 H 1 0.79 0.02 . 2 . . . . 50 LEU HD12 . 16253 1 467 . 1 1 52 52 LEU HD13 H 1 0.79 0.02 . 2 . . . . 50 LEU HD13 . 16253 1 468 . 1 1 52 52 LEU HD21 H 1 0.79 0.02 . 2 . . . . 50 LEU HD21 . 16253 1 469 . 1 1 52 52 LEU HD22 H 1 0.79 0.02 . 2 . . . . 50 LEU HD22 . 16253 1 470 . 1 1 52 52 LEU HD23 H 1 0.79 0.02 . 2 . . . . 50 LEU HD23 . 16253 1 471 . 1 1 52 52 LEU HG H 1 0.78 0.02 . 1 . . . . 50 LEU HG . 16253 1 472 . 1 1 52 52 LEU C C 13 179.8 0.2 . 1 . . . . 50 LEU C . 16253 1 473 . 1 1 52 52 LEU CA C 13 58.2 0.2 . 1 . . . . 50 LEU CA . 16253 1 474 . 1 1 52 52 LEU CB C 13 41.0 0.2 . 1 . . . . 50 LEU CB . 16253 1 475 . 1 1 52 52 LEU CD1 C 13 23.0 0.2 . 2 . . . . 50 LEU CD1 . 16253 1 476 . 1 1 52 52 LEU CD2 C 13 23.0 0.2 . 2 . . . . 50 LEU CD2 . 16253 1 477 . 1 1 52 52 LEU CG C 13 25.5 0.2 . 1 . . . . 50 LEU CG . 16253 1 478 . 1 1 52 52 LEU N N 15 121.1 0.2 . 1 . . . . 50 LEU N . 16253 1 479 . 1 1 53 53 ASP H H 1 8.02 0.02 . 1 . . . . 51 ASP H . 16253 1 480 . 1 1 53 53 ASP HA H 1 4.37 0.02 . 1 . . . . 51 ASP HA . 16253 1 481 . 1 1 53 53 ASP HB2 H 1 2.75 0.02 . 2 . . . . 51 ASP HB2 . 16253 1 482 . 1 1 53 53 ASP HB3 H 1 2.75 0.02 . 2 . . . . 51 ASP HB3 . 16253 1 483 . 1 1 53 53 ASP C C 13 177.5 0.2 . 1 . . . . 51 ASP C . 16253 1 484 . 1 1 53 53 ASP CA C 13 57.5 0.2 . 1 . . . . 51 ASP CA . 16253 1 485 . 1 1 53 53 ASP CB C 13 41.5 0.2 . 1 . . . . 51 ASP CB . 16253 1 486 . 1 1 53 53 ASP N N 15 120.3 0.2 . 1 . . . . 51 ASP N . 16253 1 487 . 1 1 54 54 TYR H H 1 7.76 0.02 . 1 . . . . 52 TYR H . 16253 1 488 . 1 1 54 54 TYR HA H 1 3.77 0.02 . 1 . . . . 52 TYR HA . 16253 1 489 . 1 1 54 54 TYR HB2 H 1 3.18 0.02 . 2 . . . . 52 TYR HB2 . 16253 1 490 . 1 1 54 54 TYR HB3 H 1 2.43 0.02 . 2 . . . . 52 TYR HB3 . 16253 1 491 . 1 1 54 54 TYR HD1 H 1 6.64 0.02 . 3 . . . . 52 TYR HD1 . 16253 1 492 . 1 1 54 54 TYR HD2 H 1 6.64 0.02 . 3 . . . . 52 TYR HD2 . 16253 1 493 . 1 1 54 54 TYR HE1 H 1 6.66 0.02 . 3 . . . . 52 TYR HE1 . 16253 1 494 . 1 1 54 54 TYR HE2 H 1 6.66 0.02 . 3 . . . . 52 TYR HE2 . 16253 1 495 . 1 1 54 54 TYR C C 13 179.0 0.2 . 1 . . . . 52 TYR C . 16253 1 496 . 1 1 54 54 TYR CA C 13 62.3 0.2 . 1 . . . . 52 TYR CA . 16253 1 497 . 1 1 54 54 TYR CB C 13 37.7 0.2 . 1 . . . . 52 TYR CB . 16253 1 498 . 1 1 54 54 TYR CD1 C 13 132.9 0.2 . 3 . . . . 52 TYR CD1 . 16253 1 499 . 1 1 54 54 TYR CD2 C 13 132.9 0.2 . 3 . . . . 52 TYR CD2 . 16253 1 500 . 1 1 54 54 TYR CE1 C 13 118.1 0.2 . 3 . . . . 52 TYR CE1 . 16253 1 501 . 1 1 54 54 TYR CE2 C 13 118.2 0.2 . 3 . . . . 52 TYR CE2 . 16253 1 502 . 1 1 54 54 TYR N N 15 119.7 0.2 . 1 . . . . 52 TYR N . 16253 1 503 . 1 1 55 55 VAL H H 1 8.25 0.02 . 1 . . . . 53 VAL H . 16253 1 504 . 1 1 55 55 VAL HA H 1 3.58 0.02 . 1 . . . . 53 VAL HA . 16253 1 505 . 1 1 55 55 VAL HB H 1 2.22 0.02 . 1 . . . . 53 VAL HB . 16253 1 506 . 1 1 55 55 VAL HG11 H 1 1.12 0.02 . 2 . . . . 53 VAL HG11 . 16253 1 507 . 1 1 55 55 VAL HG12 H 1 1.12 0.02 . 2 . . . . 53 VAL HG12 . 16253 1 508 . 1 1 55 55 VAL HG13 H 1 1.12 0.02 . 2 . . . . 53 VAL HG13 . 16253 1 509 . 1 1 55 55 VAL HG21 H 1 0.83 0.02 . 2 . . . . 53 VAL HG21 . 16253 1 510 . 1 1 55 55 VAL HG22 H 1 0.83 0.02 . 2 . . . . 53 VAL HG22 . 16253 1 511 . 1 1 55 55 VAL HG23 H 1 0.83 0.02 . 2 . . . . 53 VAL HG23 . 16253 1 512 . 1 1 55 55 VAL C C 13 177.7 0.2 . 1 . . . . 53 VAL C . 16253 1 513 . 1 1 55 55 VAL CA C 13 66.8 0.2 . 1 . . . . 53 VAL CA . 16253 1 514 . 1 1 55 55 VAL CB C 13 31.9 0.2 . 1 . . . . 53 VAL CB . 16253 1 515 . 1 1 55 55 VAL CG1 C 13 23.9 0.2 . 2 . . . . 53 VAL CG1 . 16253 1 516 . 1 1 55 55 VAL CG2 C 13 21.7 0.2 . 2 . . . . 53 VAL CG2 . 16253 1 517 . 1 1 55 55 VAL N N 15 120.2 0.2 . 1 . . . . 53 VAL N . 16253 1 518 . 1 1 56 56 GLU H H 1 8.17 0.02 . 1 . . . . 54 GLU H . 16253 1 519 . 1 1 56 56 GLU HA H 1 4.01 0.02 . 1 . . . . 54 GLU HA . 16253 1 520 . 1 1 56 56 GLU HB2 H 1 2.12 0.02 . 2 . . . . 54 GLU HB2 . 16253 1 521 . 1 1 56 56 GLU HB3 H 1 2.12 0.02 . 2 . . . . 54 GLU HB3 . 16253 1 522 . 1 1 56 56 GLU HG2 H 1 2.35 0.02 . 2 . . . . 54 GLU HG2 . 16253 1 523 . 1 1 56 56 GLU HG3 H 1 2.22 0.02 . 2 . . . . 54 GLU HG3 . 16253 1 524 . 1 1 56 56 GLU C C 13 178.7 0.2 . 1 . . . . 54 GLU C . 16253 1 525 . 1 1 56 56 GLU CA C 13 59.2 0.2 . 1 . . . . 54 GLU CA . 16253 1 526 . 1 1 56 56 GLU CB C 13 29.6 0.2 . 1 . . . . 54 GLU CB . 16253 1 527 . 1 1 56 56 GLU CG C 13 36.5 0.2 . 1 . . . . 54 GLU CG . 16253 1 528 . 1 1 56 56 GLU N N 15 119.6 0.2 . 1 . . . . 54 GLU N . 16253 1 529 . 1 1 57 57 LYS H H 1 7.80 0.02 . 1 . . . . 55 LYS H . 16253 1 530 . 1 1 57 57 LYS HA H 1 4.04 0.02 . 1 . . . . 55 LYS HA . 16253 1 531 . 1 1 57 57 LYS HB2 H 1 1.63 0.02 . 2 . . . . 55 LYS HB2 . 16253 1 532 . 1 1 57 57 LYS HB3 H 1 1.63 0.02 . 2 . . . . 55 LYS HB3 . 16253 1 533 . 1 1 57 57 LYS HD2 H 1 1.53 0.02 . 2 . . . . 55 LYS HD2 . 16253 1 534 . 1 1 57 57 LYS HD3 H 1 1.53 0.02 . 2 . . . . 55 LYS HD3 . 16253 1 535 . 1 1 57 57 LYS HE2 H 1 2.91 0.02 . 2 . . . . 55 LYS HE2 . 16253 1 536 . 1 1 57 57 LYS HE3 H 1 2.91 0.02 . 2 . . . . 55 LYS HE3 . 16253 1 537 . 1 1 57 57 LYS HG2 H 1 1.43 0.02 . 2 . . . . 55 LYS HG2 . 16253 1 538 . 1 1 57 57 LYS HG3 H 1 1.34 0.02 . 2 . . . . 55 LYS HG3 . 16253 1 539 . 1 1 57 57 LYS C C 13 177.9 0.2 . 1 . . . . 55 LYS C . 16253 1 540 . 1 1 57 57 LYS CA C 13 57.9 0.2 . 1 . . . . 55 LYS CA . 16253 1 541 . 1 1 57 57 LYS CB C 13 33.3 0.2 . 1 . . . . 55 LYS CB . 16253 1 542 . 1 1 57 57 LYS CD C 13 28.8 0.2 . 1 . . . . 55 LYS CD . 16253 1 543 . 1 1 57 57 LYS CE C 13 42.3 0.2 . 1 . . . . 55 LYS CE . 16253 1 544 . 1 1 57 57 LYS CG C 13 25.8 0.2 . 1 . . . . 55 LYS CG . 16253 1 545 . 1 1 57 57 LYS N N 15 115.7 0.2 . 1 . . . . 55 LYS N . 16253 1 546 . 1 1 58 58 ASN H H 1 7.57 0.02 . 1 . . . . 56 ASN H . 16253 1 547 . 1 1 58 58 ASN HA H 1 4.49 0.02 . 1 . . . . 56 ASN HA . 16253 1 548 . 1 1 58 58 ASN HB2 H 1 1.85 0.02 . 2 . . . . 56 ASN HB2 . 16253 1 549 . 1 1 58 58 ASN HB3 H 1 1.85 0.02 . 2 . . . . 56 ASN HB3 . 16253 1 550 . 1 1 58 58 ASN HD21 H 1 6.51 0.02 . 2 . . . . 56 ASN HD21 . 16253 1 551 . 1 1 58 58 ASN HD22 H 1 6.35 0.02 . 2 . . . . 56 ASN HD22 . 16253 1 552 . 1 1 58 58 ASN C C 13 174.3 0.2 . 1 . . . . 56 ASN C . 16253 1 553 . 1 1 58 58 ASN CA C 13 54.7 0.2 . 1 . . . . 56 ASN CA . 16253 1 554 . 1 1 58 58 ASN CB C 13 40.1 0.2 . 1 . . . . 56 ASN CB . 16253 1 555 . 1 1 58 58 ASN N N 15 115.0 0.2 . 1 . . . . 56 ASN N . 16253 1 556 . 1 1 58 58 ASN ND2 N 15 116.0 0.2 . 1 . . . . 56 ASN ND2 . 16253 1 557 . 1 1 59 59 TRP H H 1 8.12 0.02 . 1 . . . . 57 TRP H . 16253 1 558 . 1 1 59 59 TRP HB2 H 1 3.31 0.02 . 2 . . . . 57 TRP HB2 . 16253 1 559 . 1 1 59 59 TRP HB3 H 1 2.89 0.02 . 2 . . . . 57 TRP HB3 . 16253 1 560 . 1 1 59 59 TRP HD1 H 1 7.31 0.02 . 1 . . . . 57 TRP HD1 . 16253 1 561 . 1 1 59 59 TRP HE1 H 1 10.24 0.02 . 1 . . . . 57 TRP HE1 . 16253 1 562 . 1 1 59 59 TRP CA C 13 57.8 0.2 . 1 . . . . 57 TRP CA . 16253 1 563 . 1 1 59 59 TRP CB C 13 29.8 0.2 . 1 . . . . 57 TRP CB . 16253 1 564 . 1 1 59 59 TRP N N 15 121.4 0.2 . 1 . . . . 57 TRP N . 16253 1 565 . 1 1 59 59 TRP NE1 N 15 130.1 0.2 . 1 . . . . 57 TRP NE1 . 16253 1 566 . 1 1 64 64 PRO HA H 1 4.41 0.02 . 1 . . . . 62 PRO HA . 16253 1 567 . 1 1 64 64 PRO HB2 H 1 2.27 0.02 . 2 . . . . 62 PRO HB2 . 16253 1 568 . 1 1 64 64 PRO HB3 H 1 1.93 0.02 . 2 . . . . 62 PRO HB3 . 16253 1 569 . 1 1 64 64 PRO HD2 H 1 3.77 0.02 . 2 . . . . 62 PRO HD2 . 16253 1 570 . 1 1 64 64 PRO HD3 H 1 3.60 0.02 . 2 . . . . 62 PRO HD3 . 16253 1 571 . 1 1 64 64 PRO C C 13 176.2 0.2 . 1 . . . . 62 PRO C . 16253 1 572 . 1 1 64 64 PRO CA C 13 63.3 0.2 . 1 . . . . 62 PRO CA . 16253 1 573 . 1 1 64 64 PRO CB C 13 32.1 0.2 . 1 . . . . 62 PRO CB . 16253 1 574 . 1 1 64 64 PRO CD C 13 50.7 0.2 . 1 . . . . 62 PRO CD . 16253 1 575 . 1 1 64 64 PRO CG C 13 27.2 0.2 . 1 . . . . 62 PRO CG . 16253 1 576 . 1 1 65 65 LYS H H 1 8.03 0.02 . 1 . . . . 63 LYS H . 16253 1 577 . 1 1 65 65 LYS HA H 1 4.13 0.02 . 1 . . . . 63 LYS HA . 16253 1 578 . 1 1 65 65 LYS HB2 H 1 1.86 0.02 . 2 . . . . 63 LYS HB2 . 16253 1 579 . 1 1 65 65 LYS HB3 H 1 1.68 0.02 . 2 . . . . 63 LYS HB3 . 16253 1 580 . 1 1 65 65 LYS CA C 13 57.7 0.2 . 1 . . . . 63 LYS CA . 16253 1 581 . 1 1 65 65 LYS CB C 13 33.6 0.2 . 1 . . . . 63 LYS CB . 16253 1 582 . 1 1 65 65 LYS N N 15 127.1 0.2 . 1 . . . . 63 LYS N . 16253 1 stop_ save_