data_19849 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19849 _Entry.Title ; Solution structure of reduced BolA2 from Arabidopsis thaliana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-13 _Entry.Accession_date 2014-03-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 THOMAS RORET . . . 19849 2 PASCALE TSAN . . . 19849 3 JEREMY COUTURIER . . . 19849 4 NICOLAS ROUHIER . . . 19849 5 CLAUDE DIDIERJEAN . . . 19849 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 1 'not applicable' 'not applicable' . 19849 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Arabidopsis thaliana' . 19849 BOLA . 19849 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19849 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 445 19849 '13C chemical shifts' 244 19849 '15N chemical shifts' 95 19849 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 . . 2014-09-29 2014-03-13 update BMRB 'update entry citation' 19849 1 . . 2014-07-21 2014-03-13 original author 'original release' 19849 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19850 'GrxS14-BolA2 apo-heterodimer from Arabidopsis thaliana' 19849 PDB 2mm9 'BMRB Entry Tracking System' 19849 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19849 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.M114.572701 _Citation.PubMed_ID 25012657 _Citation.Full_citation . _Citation.Title 'Structural and Spectroscopic Insights into BolA-Glutaredoxin Complexes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 289 _Citation.Journal_issue 35 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 24588 _Citation.Page_last 24598 _Citation.Year 2014 _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 Thomas Roret T. . . 19849 1 2 Pascale Tsan P. . . 19849 1 3 Jeremy Couturier J. . . 19849 1 4 Bo Zhang B. . . 19849 1 5 Michael Johnson M. K. . 19849 1 6 Nicolas Rouhier N. . . 19849 1 7 Claude Didierjean C. . . 19849 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19849 _Assembly.ID 1 _Assembly.Name 'reduced BolA2 from Arabidopsis thaliana' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'reduced BolA2 from Arabidopsis thaliana' 1 $BolA2 A . yes native no no . . . 19849 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BolA2 _Entity.Sf_category entity _Entity.Sf_framecode BolA2 _Entity.Entry_ID 19849 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BolA2 _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 ; MVTKEQVEASLTSKLKPIHL EVIDISGGCGSSFEVEVVSE QFEGKRLLERHRMVNAALEE EMKEIHALSIKKAQTPQQWK PPSQDSATLTKDA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10389.931 _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 2MM9 . "Solution Structure Of Reduced Bola2 From Arabidopsis Thaliana" . . . . . 100.00 93 100.00 100.00 1.58e-59 . . . . 19849 1 2 no PDB 2MMA . "Nmr-based Docking Model Of Grxs14-bola2 Apo-heterodimer From Arabidopsis Thaliana" . . . . . 86.02 80 100.00 100.00 3.32e-49 . . . . 19849 1 3 no PDB 4PUH . "Oxidized Bola2 From Arabidopsis Thaliana" . . . . . 100.00 93 100.00 100.00 1.58e-59 . . . . 19849 1 4 no DBJ BAB09404 . "unnamed protein product [Arabidopsis thaliana]" . . . . . 100.00 93 100.00 100.00 1.58e-59 . . . . 19849 1 5 no DBJ BAF00125 . "hypothetical protein [Arabidopsis thaliana]" . . . . . 100.00 93 100.00 100.00 1.58e-59 . . . . 19849 1 6 no GB AAM65194 . "unknown [Arabidopsis thaliana]" . . . . . 100.00 93 100.00 100.00 1.58e-59 . . . . 19849 1 7 no GB AAO24583 . "At5g09830 [Arabidopsis thaliana]" . . . . . 100.00 93 100.00 100.00 1.58e-59 . . . . 19849 1 8 no GB AED91453 . "BolA-like family protein [Arabidopsis thaliana]" . . . . . 100.00 93 100.00 100.00 1.58e-59 . . . . 19849 1 9 no GB EFH49685 . "hypothetical protein ARALYDRAFT_487805 [Arabidopsis lyrata subsp. lyrata]" . . . . . 100.00 93 97.85 100.00 7.28e-59 . . . . 19849 1 10 no REF NP_568217 . "protein BolA2 [Arabidopsis thaliana]" . . . . . 100.00 93 100.00 100.00 1.58e-59 . . . . 19849 1 11 no REF XP_002873426 . "hypothetical protein ARALYDRAFT_487805 [Arabidopsis lyrata subsp. lyrata]" . . . . . 100.00 93 97.85 100.00 7.28e-59 . . . . 19849 1 12 no SP Q9FIC3 . "RecName: Full=Protein BOLA2" . . . . . 100.00 93 100.00 100.00 1.58e-59 . . . . 19849 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 19849 1 2 . VAL . 19849 1 3 . THR . 19849 1 4 . LYS . 19849 1 5 . GLU . 19849 1 6 . GLN . 19849 1 7 . VAL . 19849 1 8 . GLU . 19849 1 9 . ALA . 19849 1 10 . SER . 19849 1 11 . LEU . 19849 1 12 . THR . 19849 1 13 . SER . 19849 1 14 . LYS . 19849 1 15 . LEU . 19849 1 16 . LYS . 19849 1 17 . PRO . 19849 1 18 . ILE . 19849 1 19 . HIS . 19849 1 20 . LEU . 19849 1 21 . GLU . 19849 1 22 . VAL . 19849 1 23 . ILE . 19849 1 24 . ASP . 19849 1 25 . ILE . 19849 1 26 . SER . 19849 1 27 . GLY . 19849 1 28 . GLY . 19849 1 29 . CYS . 19849 1 30 . GLY . 19849 1 31 . SER . 19849 1 32 . SER . 19849 1 33 . PHE . 19849 1 34 . GLU . 19849 1 35 . VAL . 19849 1 36 . GLU . 19849 1 37 . VAL . 19849 1 38 . VAL . 19849 1 39 . SER . 19849 1 40 . GLU . 19849 1 41 . GLN . 19849 1 42 . PHE . 19849 1 43 . GLU . 19849 1 44 . GLY . 19849 1 45 . LYS . 19849 1 46 . ARG . 19849 1 47 . LEU . 19849 1 48 . LEU . 19849 1 49 . GLU . 19849 1 50 . ARG . 19849 1 51 . HIS . 19849 1 52 . ARG . 19849 1 53 . MET . 19849 1 54 . VAL . 19849 1 55 . ASN . 19849 1 56 . ALA . 19849 1 57 . ALA . 19849 1 58 . LEU . 19849 1 59 . GLU . 19849 1 60 . GLU . 19849 1 61 . GLU . 19849 1 62 . MET . 19849 1 63 . LYS . 19849 1 64 . GLU . 19849 1 65 . ILE . 19849 1 66 . HIS . 19849 1 67 . ALA . 19849 1 68 . LEU . 19849 1 69 . SER . 19849 1 70 . ILE . 19849 1 71 . LYS . 19849 1 72 . LYS . 19849 1 73 . ALA . 19849 1 74 . GLN . 19849 1 75 . THR . 19849 1 76 . PRO . 19849 1 77 . GLN . 19849 1 78 . GLN . 19849 1 79 . TRP . 19849 1 80 . LYS . 19849 1 81 . PRO . 19849 1 82 . PRO . 19849 1 83 . SER . 19849 1 84 . GLN . 19849 1 85 . ASP . 19849 1 86 . SER . 19849 1 87 . ALA . 19849 1 88 . THR . 19849 1 89 . LEU . 19849 1 90 . THR . 19849 1 91 . LYS . 19849 1 92 . ASP . 19849 1 93 . ALA . 19849 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19849 1 . VAL 2 2 19849 1 . THR 3 3 19849 1 . LYS 4 4 19849 1 . GLU 5 5 19849 1 . GLN 6 6 19849 1 . VAL 7 7 19849 1 . GLU 8 8 19849 1 . ALA 9 9 19849 1 . SER 10 10 19849 1 . LEU 11 11 19849 1 . THR 12 12 19849 1 . SER 13 13 19849 1 . LYS 14 14 19849 1 . LEU 15 15 19849 1 . LYS 16 16 19849 1 . PRO 17 17 19849 1 . ILE 18 18 19849 1 . HIS 19 19 19849 1 . LEU 20 20 19849 1 . GLU 21 21 19849 1 . VAL 22 22 19849 1 . ILE 23 23 19849 1 . ASP 24 24 19849 1 . ILE 25 25 19849 1 . SER 26 26 19849 1 . GLY 27 27 19849 1 . GLY 28 28 19849 1 . CYS 29 29 19849 1 . GLY 30 30 19849 1 . SER 31 31 19849 1 . SER 32 32 19849 1 . PHE 33 33 19849 1 . GLU 34 34 19849 1 . VAL 35 35 19849 1 . GLU 36 36 19849 1 . VAL 37 37 19849 1 . VAL 38 38 19849 1 . SER 39 39 19849 1 . GLU 40 40 19849 1 . GLN 41 41 19849 1 . PHE 42 42 19849 1 . GLU 43 43 19849 1 . GLY 44 44 19849 1 . LYS 45 45 19849 1 . ARG 46 46 19849 1 . LEU 47 47 19849 1 . LEU 48 48 19849 1 . GLU 49 49 19849 1 . ARG 50 50 19849 1 . HIS 51 51 19849 1 . ARG 52 52 19849 1 . MET 53 53 19849 1 . VAL 54 54 19849 1 . ASN 55 55 19849 1 . ALA 56 56 19849 1 . ALA 57 57 19849 1 . LEU 58 58 19849 1 . GLU 59 59 19849 1 . GLU 60 60 19849 1 . GLU 61 61 19849 1 . MET 62 62 19849 1 . LYS 63 63 19849 1 . GLU 64 64 19849 1 . ILE 65 65 19849 1 . HIS 66 66 19849 1 . ALA 67 67 19849 1 . LEU 68 68 19849 1 . SER 69 69 19849 1 . ILE 70 70 19849 1 . LYS 71 71 19849 1 . LYS 72 72 19849 1 . ALA 73 73 19849 1 . GLN 74 74 19849 1 . THR 75 75 19849 1 . PRO 76 76 19849 1 . GLN 77 77 19849 1 . GLN 78 78 19849 1 . TRP 79 79 19849 1 . LYS 80 80 19849 1 . PRO 81 81 19849 1 . PRO 82 82 19849 1 . SER 83 83 19849 1 . GLN 84 84 19849 1 . ASP 85 85 19849 1 . SER 86 86 19849 1 . ALA 87 87 19849 1 . THR 88 88 19849 1 . LEU 89 89 19849 1 . THR 90 90 19849 1 . LYS 91 91 19849 1 . ASP 92 92 19849 1 . ALA 93 93 19849 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 19849 _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 $BolA2 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 19849 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 19849 _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 $BolA2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET3d . . . . . . 19849 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19849 _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 BolA2 '[U-100% 13C; U-100% 15N]' . . 1 $BolA2 . . 0.9 . . mM . . . . 19849 1 2 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 19849 1 3 azide 'natural abundance' . . . . . . 0.02 . . % . . . . 19849 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19849 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19849 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19849 _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 BolA2 '[U-100% 15N]' . . 1 $BolA2 . . 0.9 . . mM . . . . 19849 2 2 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 19849 2 3 azide 'natural abundance' . . . . . . 0.02 . . % . . . . 19849 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19849 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19849 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 19849 _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' 0.05 . M 19849 1 pH 6 . pH 19849 1 pressure 1 . atm 19849 1 temperature 298 . K 19849 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19849 _Software.ID 1 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19849 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19849 1 refinement 19849 1 'structure solution' 19849 1 stop_ save_ save_CcpNmr _Software.Sf_category software _Software.Sf_framecode CcpNmr _Software.Entry_ID 19849 _Software.ID 2 _Software.Name CcpNmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19849 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19849 2 'peak picking' 19849 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19849 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19849 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19849 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19849 _Software.ID 4 _Software.Name CNS _Software.Version 1.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19849 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19849 4 'structure solution' 19849 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 19849 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19849 _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 Bruker DRX . 600 . . . 19849 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 19849 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19849 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19849 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19849 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19849 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19849 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19849 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19849 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19849 1 9 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19849 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19849 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19849 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19849 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 19849 _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 na indirect 0.251449530 . . . . . . . . . 19849 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19849 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19849 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 19849 _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' 1 $sample_1 . 19849 1 4 '3D CBCA(CO)NH' 1 $sample_1 . 19849 1 5 '3D HNCO' 1 $sample_1 . 19849 1 7 '3D HN(CO)CA' 1 $sample_1 . 19849 1 11 '3D 1H-15N TOCSY' 1 $sample_1 . 19849 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 1 1 MET HA H 1 4.177 0.000 . 1 . . . A 1 MET HA . 19849 1 2 . 1 1 1 1 MET C C 13 173.409 0.000 . 1 . . . A 1 MET C . 19849 1 3 . 1 1 1 1 MET CA C 13 51.836 0.004 . 1 . . . A 1 MET CA . 19849 1 4 . 1 1 2 2 VAL H H 1 8.729 0.028 . 1 . . . A 2 VAL H . 19849 1 5 . 1 1 2 2 VAL HA H 1 4.508 0.024 . 1 . . . A 2 VAL HA . 19849 1 6 . 1 1 2 2 VAL HB H 1 1.898 0.001 . 1 . . . A 2 VAL HB . 19849 1 7 . 1 1 2 2 VAL HG11 H 1 0.891 0.023 . 2 . . . A 2 VAL HG11 . 19849 1 8 . 1 1 2 2 VAL HG12 H 1 0.891 0.023 . 2 . . . A 2 VAL HG12 . 19849 1 9 . 1 1 2 2 VAL HG13 H 1 0.891 0.023 . 2 . . . A 2 VAL HG13 . 19849 1 10 . 1 1 2 2 VAL HG21 H 1 0.770 0.023 . 2 . . . A 2 VAL HG21 . 19849 1 11 . 1 1 2 2 VAL HG22 H 1 0.770 0.023 . 2 . . . A 2 VAL HG22 . 19849 1 12 . 1 1 2 2 VAL HG23 H 1 0.770 0.023 . 2 . . . A 2 VAL HG23 . 19849 1 13 . 1 1 2 2 VAL C C 13 174.797 0.000 . 1 . . . A 2 VAL C . 19849 1 14 . 1 1 2 2 VAL CA C 13 61.285 0.069 . 1 . . . A 2 VAL CA . 19849 1 15 . 1 1 2 2 VAL CB C 13 33.821 0.000 . 1 . . . A 2 VAL CB . 19849 1 16 . 1 1 2 2 VAL N N 15 120.462 0.072 . 1 . . . A 2 VAL N . 19849 1 17 . 1 1 3 3 THR H H 1 7.740 0.029 . 1 . . . A 3 THR H . 19849 1 18 . 1 1 3 3 THR HA H 1 4.794 0.014 . 1 . . . A 3 THR HA . 19849 1 19 . 1 1 3 3 THR HB H 1 4.270 0.000 . 1 . . . A 3 THR HB . 19849 1 20 . 1 1 3 3 THR C C 13 175.419 0.064 . 1 . . . A 3 THR C . 19849 1 21 . 1 1 3 3 THR CA C 13 59.466 0.145 . 1 . . . A 3 THR CA . 19849 1 22 . 1 1 3 3 THR N N 15 113.531 0.106 . 1 . . . A 3 THR N . 19849 1 23 . 1 1 4 4 LYS H H 1 9.168 0.026 . 1 . . . A 4 LYS H . 19849 1 24 . 1 1 4 4 LYS HA H 1 3.437 0.014 . 1 . . . A 4 LYS HA . 19849 1 25 . 1 1 4 4 LYS HB2 H 1 2.017 0.011 . 2 . . . A 4 LYS HB2 . 19849 1 26 . 1 1 4 4 LYS HB3 H 1 1.836 0.004 . 2 . . . A 4 LYS HB3 . 19849 1 27 . 1 1 4 4 LYS HG2 H 1 1.281 0.008 . 2 . . . A 4 LYS HG2 . 19849 1 28 . 1 1 4 4 LYS HG3 H 1 1.490 0.006 . 2 . . . A 4 LYS HG3 . 19849 1 29 . 1 1 4 4 LYS HE3 H 1 3.504 0.000 . 1 . . . A 4 LYS HE3 . 19849 1 30 . 1 1 4 4 LYS C C 13 177.186 0.000 . 1 . . . A 4 LYS C . 19849 1 31 . 1 1 4 4 LYS CA C 13 59.716 0.084 . 1 . . . A 4 LYS CA . 19849 1 32 . 1 1 4 4 LYS CB C 13 33.210 0.000 . 1 . . . A 4 LYS CB . 19849 1 33 . 1 1 4 4 LYS N N 15 121.981 0.014 . 1 . . . A 4 LYS N . 19849 1 34 . 1 1 5 5 GLU H H 1 8.835 0.023 . 1 . . . A 5 GLU H . 19849 1 35 . 1 1 5 5 GLU HA H 1 4.052 0.021 . 1 . . . A 5 GLU HA . 19849 1 36 . 1 1 5 5 GLU HB2 H 1 1.882 0.017 . 2 . . . A 5 GLU HB2 . 19849 1 37 . 1 1 5 5 GLU HB3 H 1 2.036 0.004 . 2 . . . A 5 GLU HB3 . 19849 1 38 . 1 1 5 5 GLU HG2 H 1 2.503 0.000 . 1 . . . A 5 GLU HG2 . 19849 1 39 . 1 1 5 5 GLU C C 13 179.351 0.000 . 1 . . . A 5 GLU C . 19849 1 40 . 1 1 5 5 GLU CA C 13 60.508 0.070 . 1 . . . A 5 GLU CA . 19849 1 41 . 1 1 5 5 GLU CB C 13 28.394 0.000 . 1 . . . A 5 GLU CB . 19849 1 42 . 1 1 5 5 GLU N N 15 117.723 0.076 . 1 . . . A 5 GLU N . 19849 1 43 . 1 1 6 6 GLN H H 1 7.867 0.023 . 1 . . . A 6 GLN H . 19849 1 44 . 1 1 6 6 GLN HA H 1 4.009 0.023 . 1 . . . A 6 GLN HA . 19849 1 45 . 1 1 6 6 GLN HB2 H 1 2.033 0.011 . 1 . . . A 6 GLN HB2 . 19849 1 46 . 1 1 6 6 GLN HG2 H 1 2.388 0.015 . 2 . . . A 6 GLN HG2 . 19849 1 47 . 1 1 6 6 GLN HG3 H 1 2.233 0.010 . 2 . . . A 6 GLN HG3 . 19849 1 48 . 1 1 6 6 GLN HE21 H 1 6.934 0.007 . 1 . . . A 6 GLN HE21 . 19849 1 49 . 1 1 6 6 GLN HE22 H 1 7.687 0.007 . 1 . . . A 6 GLN HE22 . 19849 1 50 . 1 1 6 6 GLN C C 13 178.109 0.000 . 1 . . . A 6 GLN C . 19849 1 51 . 1 1 6 6 GLN CA C 13 58.878 0.087 . 1 . . . A 6 GLN CA . 19849 1 52 . 1 1 6 6 GLN CB C 13 28.873 0.000 . 1 . . . A 6 GLN CB . 19849 1 53 . 1 1 6 6 GLN N N 15 122.133 0.044 . 1 . . . A 6 GLN N . 19849 1 54 . 1 1 6 6 GLN NE2 N 15 111.949 0.044 . 1 . . . A 6 GLN NE2 . 19849 1 55 . 1 1 7 7 VAL H H 1 7.447 0.027 . 1 . . . A 7 VAL H . 19849 1 56 . 1 1 7 7 VAL HA H 1 3.137 0.017 . 1 . . . A 7 VAL HA . 19849 1 57 . 1 1 7 7 VAL HB H 1 1.654 0.000 . 1 . . . A 7 VAL HB . 19849 1 58 . 1 1 7 7 VAL HG11 H 1 0.393 0.014 . 2 . . . A 7 VAL HG11 . 19849 1 59 . 1 1 7 7 VAL HG12 H 1 0.393 0.014 . 2 . . . A 7 VAL HG12 . 19849 1 60 . 1 1 7 7 VAL HG13 H 1 0.393 0.014 . 2 . . . A 7 VAL HG13 . 19849 1 61 . 1 1 7 7 VAL HG21 H 1 0.054 0.009 . 2 . . . A 7 VAL HG21 . 19849 1 62 . 1 1 7 7 VAL HG22 H 1 0.054 0.009 . 2 . . . A 7 VAL HG22 . 19849 1 63 . 1 1 7 7 VAL HG23 H 1 0.054 0.009 . 2 . . . A 7 VAL HG23 . 19849 1 64 . 1 1 7 7 VAL C C 13 177.807 0.000 . 1 . . . A 7 VAL C . 19849 1 65 . 1 1 7 7 VAL CA C 13 66.513 0.019 . 1 . . . A 7 VAL CA . 19849 1 66 . 1 1 7 7 VAL CB C 13 31.241 0.000 . 1 . . . A 7 VAL CB . 19849 1 67 . 1 1 7 7 VAL N N 15 120.130 0.070 . 1 . . . A 7 VAL N . 19849 1 68 . 1 1 8 8 GLU H H 1 8.529 0.028 . 1 . . . A 8 GLU H . 19849 1 69 . 1 1 8 8 GLU HA H 1 3.570 0.004 . 1 . . . A 8 GLU HA . 19849 1 70 . 1 1 8 8 GLU HB2 H 1 1.848 0.015 . 2 . . . A 8 GLU HB2 . 19849 1 71 . 1 1 8 8 GLU HB3 H 1 2.060 0.018 . 2 . . . A 8 GLU HB3 . 19849 1 72 . 1 1 8 8 GLU C C 13 174.166 0.022 . 1 . . . A 8 GLU C . 19849 1 73 . 1 1 8 8 GLU CA C 13 59.699 0.023 . 1 . . . A 8 GLU CA . 19849 1 74 . 1 1 8 8 GLU CB C 13 29.844 0.000 . 1 . . . A 8 GLU CB . 19849 1 75 . 1 1 8 8 GLU N N 15 117.342 0.082 . 1 . . . A 8 GLU N . 19849 1 76 . 1 1 9 9 ALA H H 1 8.301 0.032 . 1 . . . A 9 ALA H . 19849 1 77 . 1 1 9 9 ALA HA H 1 4.420 0.017 . 1 . . . A 9 ALA HA . 19849 1 78 . 1 1 9 9 ALA C C 13 177.996 0.000 . 1 . . . A 9 ALA C . 19849 1 79 . 1 1 9 9 ALA CA C 13 55.523 0.000 . 1 . . . A 9 ALA CA . 19849 1 80 . 1 1 9 9 ALA N N 15 124.344 0.179 . 1 . . . A 9 ALA N . 19849 1 81 . 1 1 10 10 SER H H 1 8.303 0.014 . 1 . . . A 10 SER H . 19849 1 82 . 1 1 10 10 SER HA H 1 4.374 0.022 . 1 . . . A 10 SER HA . 19849 1 83 . 1 1 10 10 SER HB3 H 1 3.799 0.016 . 1 . . . A 10 SER HB3 . 19849 1 84 . 1 1 10 10 SER C C 13 175.219 0.000 . 1 . . . A 10 SER C . 19849 1 85 . 1 1 10 10 SER CA C 13 62.207 0.000 . 1 . . . A 10 SER CA . 19849 1 86 . 1 1 10 10 SER N N 15 117.198 0.858 . 1 . . . A 10 SER N . 19849 1 87 . 1 1 11 11 LEU H H 1 7.973 0.021 . 1 . . . A 11 LEU H . 19849 1 88 . 1 1 11 11 LEU HA H 1 3.814 0.013 . 1 . . . A 11 LEU HA . 19849 1 89 . 1 1 11 11 LEU HB2 H 1 0.926 0.017 . 2 . . . A 11 LEU HB2 . 19849 1 90 . 1 1 11 11 LEU HB3 H 1 1.864 0.006 . 2 . . . A 11 LEU HB3 . 19849 1 91 . 1 1 11 11 LEU HD21 H 1 0.791 0.026 . 1 . . . A 11 LEU HD21 . 19849 1 92 . 1 1 11 11 LEU HD22 H 1 0.791 0.026 . 1 . . . A 11 LEU HD22 . 19849 1 93 . 1 1 11 11 LEU HD23 H 1 0.791 0.026 . 1 . . . A 11 LEU HD23 . 19849 1 94 . 1 1 11 11 LEU C C 13 179.247 0.000 . 1 . . . A 11 LEU C . 19849 1 95 . 1 1 11 11 LEU CA C 13 58.209 0.048 . 1 . . . A 11 LEU CA . 19849 1 96 . 1 1 11 11 LEU CB C 13 42.528 0.000 . 1 . . . A 11 LEU CB . 19849 1 97 . 1 1 11 11 LEU N N 15 118.287 0.040 . 1 . . . A 11 LEU N . 19849 1 98 . 1 1 12 12 THR H H 1 8.440 0.026 . 1 . . . A 12 THR H . 19849 1 99 . 1 1 12 12 THR HA H 1 3.530 0.020 . 1 . . . A 12 THR HA . 19849 1 100 . 1 1 12 12 THR HB H 1 4.173 0.012 . 1 . . . A 12 THR HB . 19849 1 101 . 1 1 12 12 THR HG21 H 1 1.107 0.009 . 1 . . . A 12 THR HG1 . 19849 1 102 . 1 1 12 12 THR HG22 H 1 1.107 0.009 . 1 . . . A 12 THR HG1 . 19849 1 103 . 1 1 12 12 THR HG23 H 1 1.107 0.009 . 1 . . . A 12 THR HG1 . 19849 1 104 . 1 1 12 12 THR C C 13 176.464 0.000 . 1 . . . A 12 THR C . 19849 1 105 . 1 1 12 12 THR CA C 13 67.016 0.083 . 1 . . . A 12 THR CA . 19849 1 106 . 1 1 12 12 THR CB C 13 68.586 0.000 . 1 . . . A 12 THR CB . 19849 1 107 . 1 1 12 12 THR N N 15 116.416 0.074 . 1 . . . A 12 THR N . 19849 1 108 . 1 1 13 13 SER H H 1 8.022 0.027 . 1 . . . A 13 SER H . 19849 1 109 . 1 1 13 13 SER HA H 1 4.105 0.021 . 1 . . . A 13 SER HA . 19849 1 110 . 1 1 13 13 SER HB3 H 1 3.937 0.013 . 1 . . . A 13 SER HB3 . 19849 1 111 . 1 1 13 13 SER C C 13 176.285 0.000 . 1 . . . A 13 SER C . 19849 1 112 . 1 1 13 13 SER CA C 13 61.032 0.084 . 1 . . . A 13 SER CA . 19849 1 113 . 1 1 13 13 SER CB C 13 63.045 0.000 . 1 . . . A 13 SER CB . 19849 1 114 . 1 1 13 13 SER N N 15 115.144 0.090 . 1 . . . A 13 SER N . 19849 1 115 . 1 1 14 14 LYS H H 1 7.466 0.026 . 1 . . . A 14 LYS H . 19849 1 116 . 1 1 14 14 LYS HA H 1 4.310 0.014 . 1 . . . A 14 LYS HA . 19849 1 117 . 1 1 14 14 LYS HB2 H 1 1.798 0.019 . 1 . . . A 14 LYS HB2 . 19849 1 118 . 1 1 14 14 LYS C C 13 178.041 0.000 . 1 . . . A 14 LYS C . 19849 1 119 . 1 1 14 14 LYS CA C 13 57.842 0.027 . 1 . . . A 14 LYS CA . 19849 1 120 . 1 1 14 14 LYS CB C 13 33.857 0.000 . 1 . . . A 14 LYS CB . 19849 1 121 . 1 1 14 14 LYS N N 15 116.028 0.081 . 1 . . . A 14 LYS N . 19849 1 122 . 1 1 15 15 LEU H H 1 7.842 0.022 . 1 . . . A 15 LEU H . 19849 1 123 . 1 1 15 15 LEU HA H 1 4.419 0.017 . 1 . . . A 15 LEU HA . 19849 1 124 . 1 1 15 15 LEU HB2 H 1 1.004 0.018 . 2 . . . A 15 LEU HB2 . 19849 1 125 . 1 1 15 15 LEU HB3 H 1 1.624 0.013 . 2 . . . A 15 LEU HB3 . 19849 1 126 . 1 1 15 15 LEU HD21 H 1 0.652 0.002 . 1 . . . A 15 LEU HD21 . 19849 1 127 . 1 1 15 15 LEU HD22 H 1 0.652 0.002 . 1 . . . A 15 LEU HD22 . 19849 1 128 . 1 1 15 15 LEU HD23 H 1 0.652 0.002 . 1 . . . A 15 LEU HD23 . 19849 1 129 . 1 1 15 15 LEU CA C 13 53.924 0.094 . 1 . . . A 15 LEU CA . 19849 1 130 . 1 1 15 15 LEU CB C 13 42.360 0.000 . 1 . . . A 15 LEU CB . 19849 1 131 . 1 1 15 15 LEU N N 15 114.405 0.036 . 1 . . . A 15 LEU N . 19849 1 132 . 1 1 16 16 LYS H H 1 7.421 0.023 . 1 . . . A 16 LYS H . 19849 1 133 . 1 1 16 16 LYS HA H 1 4.120 0.023 . 1 . . . A 16 LYS HA . 19849 1 134 . 1 1 16 16 LYS HB2 H 1 1.755 0.019 . 1 . . . A 16 LYS HB2 . 19849 1 135 . 1 1 16 16 LYS HG2 H 1 1.286 0.021 . 1 . . . A 16 LYS HG2 . 19849 1 136 . 1 1 16 16 LYS CA C 13 56.297 0.000 . 1 . . . A 16 LYS CA . 19849 1 137 . 1 1 16 16 LYS N N 15 116.513 0.062 . 1 . . . A 16 LYS N . 19849 1 138 . 1 1 17 17 PRO C C 13 177.159 0.000 . 1 . . . A 17 PRO C . 19849 1 139 . 1 1 17 17 PRO CA C 13 62.895 0.035 . 1 . . . A 17 PRO CA . 19849 1 140 . 1 1 17 17 PRO CB C 13 33.307 0.000 . 1 . . . A 17 PRO CB . 19849 1 141 . 1 1 18 18 ILE H H 1 7.917 0.020 . 1 . . . A 18 ILE H . 19849 1 142 . 1 1 18 18 ILE HA H 1 4.294 0.000 . 1 . . . A 18 ILE HA . 19849 1 143 . 1 1 18 18 ILE HB H 1 1.753 0.006 . 1 . . . A 18 ILE HB . 19849 1 144 . 1 1 18 18 ILE HG12 H 1 0.868 0.000 . 2 . . . A 18 ILE HG12 . 19849 1 145 . 1 1 18 18 ILE HG13 H 1 1.253 0.008 . 2 . . . A 18 ILE HG13 . 19849 1 146 . 1 1 18 18 ILE HD11 H 1 1.029 0.020 . 1 . . . A 18 ILE HD11 . 19849 1 147 . 1 1 18 18 ILE HD12 H 1 1.029 0.020 . 1 . . . A 18 ILE HD12 . 19849 1 148 . 1 1 18 18 ILE HD13 H 1 1.029 0.020 . 1 . . . A 18 ILE HD13 . 19849 1 149 . 1 1 18 18 ILE C C 13 175.085 0.000 . 1 . . . A 18 ILE C . 19849 1 150 . 1 1 18 18 ILE CA C 13 61.027 0.033 . 1 . . . A 18 ILE CA . 19849 1 151 . 1 1 18 18 ILE CB C 13 39.016 0.000 . 1 . . . A 18 ILE CB . 19849 1 152 . 1 1 18 18 ILE N N 15 116.671 0.110 . 1 . . . A 18 ILE N . 19849 1 153 . 1 1 19 19 HIS H H 1 6.968 0.027 . 1 . . . A 19 HIS H . 19849 1 154 . 1 1 19 19 HIS HA H 1 4.442 0.018 . 1 . . . A 19 HIS HA . 19849 1 155 . 1 1 19 19 HIS HB3 H 1 2.122 0.019 . 1 . . . A 19 HIS HB3 . 19849 1 156 . 1 1 19 19 HIS HD2 H 1 6.260 0.001 . 1 . . . A 19 HIS HD2 . 19849 1 157 . 1 1 19 19 HIS HE1 H 1 8.340 0.010 . 1 . . . A 19 HIS HE1 . 19849 1 158 . 1 1 19 19 HIS C C 13 171.727 0.000 . 1 . . . A 19 HIS C . 19849 1 159 . 1 1 19 19 HIS CA C 13 56.374 0.015 . 1 . . . A 19 HIS CA . 19849 1 160 . 1 1 19 19 HIS CB C 13 32.559 0.000 . 1 . . . A 19 HIS CB . 19849 1 161 . 1 1 19 19 HIS N N 15 117.574 0.318 . 1 . . . A 19 HIS N . 19849 1 162 . 1 1 20 20 LEU H H 1 7.928 0.134 . 1 . . . A 20 LEU H . 19849 1 163 . 1 1 20 20 LEU HA H 1 4.806 0.020 . 1 . . . A 20 LEU HA . 19849 1 164 . 1 1 20 20 LEU HB3 H 1 1.480 0.024 . 1 . . . A 20 LEU HB3 . 19849 1 165 . 1 1 20 20 LEU C C 13 173.636 0.000 . 1 . . . A 20 LEU C . 19849 1 166 . 1 1 20 20 LEU CA C 13 53.424 0.010 . 1 . . . A 20 LEU CA . 19849 1 167 . 1 1 20 20 LEU CB C 13 45.564 0.000 . 1 . . . A 20 LEU CB . 19849 1 168 . 1 1 20 20 LEU N N 15 128.803 0.264 . 1 . . . A 20 LEU N . 19849 1 169 . 1 1 21 21 GLU H H 1 8.703 0.026 . 1 . . . A 21 GLU H . 19849 1 170 . 1 1 21 21 GLU HA H 1 4.510 0.027 . 1 . . . A 21 GLU HA . 19849 1 171 . 1 1 21 21 GLU HB2 H 1 1.902 0.000 . 2 . . . A 21 GLU HB2 . 19849 1 172 . 1 1 21 21 GLU HB3 H 1 2.024 0.000 . 2 . . . A 21 GLU HB3 . 19849 1 173 . 1 1 21 21 GLU HG2 H 1 1.835 0.012 . 2 . . . A 21 GLU HG2 . 19849 1 174 . 1 1 21 21 GLU HG3 H 1 1.670 0.014 . 2 . . . A 21 GLU HG3 . 19849 1 175 . 1 1 21 21 GLU C C 13 174.143 0.000 . 1 . . . A 21 GLU C . 19849 1 176 . 1 1 21 21 GLU CA C 13 55.709 0.071 . 1 . . . A 21 GLU CA . 19849 1 177 . 1 1 21 21 GLU CB C 13 33.593 0.000 . 1 . . . A 21 GLU CB . 19849 1 178 . 1 1 21 21 GLU N N 15 125.639 0.142 . 1 . . . A 21 GLU N . 19849 1 179 . 1 1 22 22 VAL H H 1 8.936 0.011 . 1 . . . A 22 VAL H . 19849 1 180 . 1 1 22 22 VAL HA H 1 4.617 0.012 . 1 . . . A 22 VAL HA . 19849 1 181 . 1 1 22 22 VAL HB H 1 1.960 0.000 . 1 . . . A 22 VAL HB . 19849 1 182 . 1 1 22 22 VAL HG21 H 1 0.684 0.007 . 1 . . . A 22 VAL HG21 . 19849 1 183 . 1 1 22 22 VAL HG22 H 1 0.684 0.007 . 1 . . . A 22 VAL HG22 . 19849 1 184 . 1 1 22 22 VAL HG23 H 1 0.684 0.007 . 1 . . . A 22 VAL HG23 . 19849 1 185 . 1 1 22 22 VAL C C 13 173.843 0.000 . 1 . . . A 22 VAL C . 19849 1 186 . 1 1 22 22 VAL CA C 13 61.359 0.093 . 1 . . . A 22 VAL CA . 19849 1 187 . 1 1 22 22 VAL CB C 13 33.671 0.000 . 1 . . . A 22 VAL CB . 19849 1 188 . 1 1 22 22 VAL N N 15 126.675 0.160 . 1 . . . A 22 VAL N . 19849 1 189 . 1 1 23 23 ILE H H 1 9.099 0.021 . 1 . . . A 23 ILE H . 19849 1 190 . 1 1 23 23 ILE HA H 1 4.473 0.020 . 1 . . . A 23 ILE HA . 19849 1 191 . 1 1 23 23 ILE HB H 1 1.850 0.006 . 1 . . . A 23 ILE HB . 19849 1 192 . 1 1 23 23 ILE HG12 H 1 0.814 0.010 . 1 . . . A 23 ILE HG12 . 19849 1 193 . 1 1 23 23 ILE HG21 H 1 1.418 0.010 . 1 . . . A 23 ILE HG21 . 19849 1 194 . 1 1 23 23 ILE HG22 H 1 1.418 0.010 . 1 . . . A 23 ILE HG22 . 19849 1 195 . 1 1 23 23 ILE HG23 H 1 1.418 0.010 . 1 . . . A 23 ILE HG23 . 19849 1 196 . 1 1 23 23 ILE HD11 H 1 1.123 0.000 . 1 . . . A 23 ILE HD11 . 19849 1 197 . 1 1 23 23 ILE HD12 H 1 1.123 0.000 . 1 . . . A 23 ILE HD12 . 19849 1 198 . 1 1 23 23 ILE HD13 H 1 1.123 0.000 . 1 . . . A 23 ILE HD13 . 19849 1 199 . 1 1 23 23 ILE C C 13 175.007 0.000 . 1 . . . A 23 ILE C . 19849 1 200 . 1 1 23 23 ILE CA C 13 59.446 0.020 . 1 . . . A 23 ILE CA . 19849 1 201 . 1 1 23 23 ILE CB C 13 41.237 0.000 . 1 . . . A 23 ILE CB . 19849 1 202 . 1 1 23 23 ILE N N 15 126.078 0.028 . 1 . . . A 23 ILE N . 19849 1 203 . 1 1 24 24 ASP H H 1 9.152 0.023 . 1 . . . A 24 ASP H . 19849 1 204 . 1 1 24 24 ASP HA H 1 4.610 0.017 . 1 . . . A 24 ASP HA . 19849 1 205 . 1 1 24 24 ASP HB2 H 1 3.037 0.000 . 2 . . . A 24 ASP HB2 . 19849 1 206 . 1 1 24 24 ASP HB3 H 1 2.361 0.000 . 2 . . . A 24 ASP HB3 . 19849 1 207 . 1 1 24 24 ASP C C 13 176.888 0.000 . 1 . . . A 24 ASP C . 19849 1 208 . 1 1 24 24 ASP CA C 13 53.864 0.068 . 1 . . . A 24 ASP CA . 19849 1 209 . 1 1 24 24 ASP CB C 13 41.032 0.000 . 1 . . . A 24 ASP CB . 19849 1 210 . 1 1 24 24 ASP N N 15 127.026 0.129 . 1 . . . A 24 ASP N . 19849 1 211 . 1 1 25 25 ILE H H 1 7.915 0.019 . 1 . . . A 25 ILE H . 19849 1 212 . 1 1 25 25 ILE HA H 1 4.592 0.004 . 1 . . . A 25 ILE HA . 19849 1 213 . 1 1 25 25 ILE HB H 1 2.066 0.000 . 1 . . . A 25 ILE HB . 19849 1 214 . 1 1 25 25 ILE HG12 H 1 1.287 0.003 . 1 . . . A 25 ILE HG12 . 19849 1 215 . 1 1 25 25 ILE HD11 H 1 0.515 0.001 . 1 . . . A 25 ILE HD11 . 19849 1 216 . 1 1 25 25 ILE HD12 H 1 0.515 0.001 . 1 . . . A 25 ILE HD12 . 19849 1 217 . 1 1 25 25 ILE HD13 H 1 0.515 0.001 . 1 . . . A 25 ILE HD13 . 19849 1 218 . 1 1 25 25 ILE C C 13 175.765 0.016 . 1 . . . A 25 ILE C . 19849 1 219 . 1 1 25 25 ILE CA C 13 61.112 0.082 . 1 . . . A 25 ILE CA . 19849 1 220 . 1 1 25 25 ILE CB C 13 36.913 0.000 . 1 . . . A 25 ILE CB . 19849 1 221 . 1 1 25 25 ILE N N 15 123.148 0.033 . 1 . . . A 25 ILE N . 19849 1 222 . 1 1 26 26 SER H H 1 9.175 0.032 . 1 . . . A 26 SER H . 19849 1 223 . 1 1 26 26 SER HA H 1 4.520 0.001 . 1 . . . A 26 SER HA . 19849 1 224 . 1 1 26 26 SER HB2 H 1 3.571 0.017 . 2 . . . A 26 SER HB2 . 19849 1 225 . 1 1 26 26 SER HB3 H 1 4.067 0.016 . 2 . . . A 26 SER HB3 . 19849 1 226 . 1 1 26 26 SER C C 13 175.488 0.000 . 1 . . . A 26 SER C . 19849 1 227 . 1 1 26 26 SER CA C 13 58.030 0.071 . 1 . . . A 26 SER CA . 19849 1 228 . 1 1 26 26 SER CB C 13 64.605 0.000 . 1 . . . A 26 SER CB . 19849 1 229 . 1 1 26 26 SER N N 15 119.373 0.041 . 1 . . . A 26 SER N . 19849 1 230 . 1 1 27 27 GLY H H 1 8.417 0.025 . 1 . . . A 27 GLY H . 19849 1 231 . 1 1 27 27 GLY HA3 H 1 3.868 0.020 . 1 . . . A 27 GLY HA3 . 19849 1 232 . 1 1 27 27 GLY C C 13 175.418 0.000 . 1 . . . A 27 GLY C . 19849 1 233 . 1 1 27 27 GLY CA C 13 46.435 0.068 . 1 . . . A 27 GLY CA . 19849 1 234 . 1 1 27 27 GLY N N 15 111.902 0.048 . 1 . . . A 27 GLY N . 19849 1 235 . 1 1 28 28 GLY H H 1 7.864 0.016 . 1 . . . A 28 GLY H . 19849 1 236 . 1 1 28 28 GLY HA2 H 1 3.637 0.014 . 2 . . . A 28 GLY HA2 . 19849 1 237 . 1 1 28 28 GLY HA3 H 1 4.211 0.015 . 2 . . . A 28 GLY HA3 . 19849 1 238 . 1 1 28 28 GLY C C 13 177.627 0.000 . 1 . . . A 28 GLY C . 19849 1 239 . 1 1 28 28 GLY CA C 13 45.628 0.093 . 1 . . . A 28 GLY CA . 19849 1 240 . 1 1 28 28 GLY N N 15 106.936 0.055 . 1 . . . A 28 GLY N . 19849 1 241 . 1 1 29 29 CYS H H 1 7.380 0.017 . 1 . . . A 29 CYS H . 19849 1 242 . 1 1 29 29 CYS HA H 1 4.363 0.001 . 1 . . . A 29 CYS HA . 19849 1 243 . 1 1 29 29 CYS HB2 H 1 2.894 0.001 . 2 . . . A 29 CYS HB2 . 19849 1 244 . 1 1 29 29 CYS HB3 H 1 2.825 0.000 . 2 . . . A 29 CYS HB3 . 19849 1 245 . 1 1 29 29 CYS CA C 13 59.440 0.101 . 1 . . . A 29 CYS CA . 19849 1 246 . 1 1 29 29 CYS CB C 13 27.858 0.000 . 1 . . . A 29 CYS CB . 19849 1 247 . 1 1 29 29 CYS N N 15 116.829 0.031 . 1 . . . A 29 CYS N . 19849 1 248 . 1 1 30 30 GLY H H 1 8.965 0.046 . 1 . . . A 30 GLY H . 19849 1 249 . 1 1 30 30 GLY HA2 H 1 4.080 0.005 . 2 . . . A 30 GLY HA2 . 19849 1 250 . 1 1 30 30 GLY HA3 H 1 3.548 0.003 . 2 . . . A 30 GLY HA3 . 19849 1 251 . 1 1 30 30 GLY C C 13 173.383 0.000 . 1 . . . A 30 GLY C . 19849 1 252 . 1 1 30 30 GLY CA C 13 46.086 0.065 . 1 . . . A 30 GLY CA . 19849 1 253 . 1 1 30 30 GLY N N 15 111.626 0.087 . 1 . . . A 30 GLY N . 19849 1 254 . 1 1 31 31 SER H H 1 8.220 0.020 . 1 . . . A 31 SER H . 19849 1 255 . 1 1 31 31 SER HA H 1 4.639 0.014 . 1 . . . A 31 SER HA . 19849 1 256 . 1 1 31 31 SER HB2 H 1 3.632 0.012 . 2 . . . A 31 SER HB2 . 19849 1 257 . 1 1 31 31 SER HB3 H 1 3.742 0.019 . 2 . . . A 31 SER HB3 . 19849 1 258 . 1 1 31 31 SER C C 13 174.246 0.000 . 1 . . . A 31 SER C . 19849 1 259 . 1 1 31 31 SER CA C 13 58.203 0.115 . 1 . . . A 31 SER CA . 19849 1 260 . 1 1 31 31 SER CB C 13 64.459 0.000 . 1 . . . A 31 SER CB . 19849 1 261 . 1 1 31 31 SER N N 15 111.735 0.052 . 1 . . . A 31 SER N . 19849 1 262 . 1 1 32 32 SER H H 1 7.253 0.023 . 1 . . . A 32 SER H . 19849 1 263 . 1 1 32 32 SER HA H 1 5.346 0.012 . 1 . . . A 32 SER HA . 19849 1 264 . 1 1 32 32 SER HB2 H 1 3.393 0.016 . 2 . . . A 32 SER HB2 . 19849 1 265 . 1 1 32 32 SER HB3 H 1 3.500 0.000 . 2 . . . A 32 SER HB3 . 19849 1 266 . 1 1 32 32 SER C C 13 176.363 0.000 . 1 . . . A 32 SER C . 19849 1 267 . 1 1 32 32 SER CA C 13 57.400 0.096 . 1 . . . A 32 SER CA . 19849 1 268 . 1 1 32 32 SER CB C 13 62.866 0.000 . 1 . . . A 32 SER CB . 19849 1 269 . 1 1 32 32 SER N N 15 116.259 0.056 . 1 . . . A 32 SER N . 19849 1 270 . 1 1 33 33 PHE H H 1 7.995 0.039 . 1 . . . A 33 PHE H . 19849 1 271 . 1 1 33 33 PHE HA H 1 5.656 0.016 . 1 . . . A 33 PHE HA . 19849 1 272 . 1 1 33 33 PHE HB2 H 1 2.793 0.005 . 2 . . . A 33 PHE HB2 . 19849 1 273 . 1 1 33 33 PHE HB3 H 1 2.365 0.011 . 2 . . . A 33 PHE HB3 . 19849 1 274 . 1 1 33 33 PHE HD1 H 1 6.790 0.023 . 3 . . . A 33 PHE HD1 . 19849 1 275 . 1 1 33 33 PHE HD2 H 1 6.790 0.023 . 3 . . . A 33 PHE HD2 . 19849 1 276 . 1 1 33 33 PHE HE1 H 1 6.900 0.020 . 3 . . . A 33 PHE HE1 . 19849 1 277 . 1 1 33 33 PHE HE2 H 1 6.900 0.020 . 3 . . . A 33 PHE HE2 . 19849 1 278 . 1 1 33 33 PHE HZ H 1 7.043 0.007 . 1 . . . A 33 PHE HZ . 19849 1 279 . 1 1 33 33 PHE C C 13 174.163 0.000 . 1 . . . A 33 PHE C . 19849 1 280 . 1 1 33 33 PHE CA C 13 56.382 0.028 . 1 . . . A 33 PHE CA . 19849 1 281 . 1 1 33 33 PHE CB C 13 44.450 0.000 . 1 . . . A 33 PHE CB . 19849 1 282 . 1 1 33 33 PHE N N 15 118.533 0.112 . 1 . . . A 33 PHE N . 19849 1 283 . 1 1 34 34 GLU H H 1 9.436 0.026 . 1 . . . A 34 GLU H . 19849 1 284 . 1 1 34 34 GLU HA H 1 5.560 0.019 . 1 . . . A 34 GLU HA . 19849 1 285 . 1 1 34 34 GLU HB3 H 1 1.932 0.016 . 1 . . . A 34 GLU HB3 . 19849 1 286 . 1 1 34 34 GLU HG2 H 1 2.076 0.004 . 1 . . . A 34 GLU HG2 . 19849 1 287 . 1 1 34 34 GLU C C 13 175.902 0.000 . 1 . . . A 34 GLU C . 19849 1 288 . 1 1 34 34 GLU CA C 13 54.376 0.025 . 1 . . . A 34 GLU CA . 19849 1 289 . 1 1 34 34 GLU CB C 13 33.543 0.000 . 1 . . . A 34 GLU CB . 19849 1 290 . 1 1 34 34 GLU N N 15 122.301 0.082 . 1 . . . A 34 GLU N . 19849 1 291 . 1 1 35 35 VAL H H 1 8.784 0.026 . 1 . . . A 35 VAL H . 19849 1 292 . 1 1 35 35 VAL HA H 1 5.369 0.018 . 1 . . . A 35 VAL HA . 19849 1 293 . 1 1 35 35 VAL HB H 1 1.778 0.010 . 1 . . . A 35 VAL HB . 19849 1 294 . 1 1 35 35 VAL HG21 H 1 0.710 0.016 . 1 . . . A 35 VAL HG21 . 19849 1 295 . 1 1 35 35 VAL HG22 H 1 0.710 0.016 . 1 . . . A 35 VAL HG22 . 19849 1 296 . 1 1 35 35 VAL HG23 H 1 0.710 0.016 . 1 . . . A 35 VAL HG23 . 19849 1 297 . 1 1 35 35 VAL C C 13 174.616 0.000 . 1 . . . A 35 VAL C . 19849 1 298 . 1 1 35 35 VAL CA C 13 59.364 0.046 . 1 . . . A 35 VAL CA . 19849 1 299 . 1 1 35 35 VAL CB C 13 36.178 0.000 . 1 . . . A 35 VAL CB . 19849 1 300 . 1 1 35 35 VAL N N 15 118.350 0.021 . 1 . . . A 35 VAL N . 19849 1 301 . 1 1 36 36 GLU H H 1 8.859 0.026 . 1 . . . A 36 GLU H . 19849 1 302 . 1 1 36 36 GLU HA H 1 4.969 0.021 . 1 . . . A 36 GLU HA . 19849 1 303 . 1 1 36 36 GLU HB3 H 1 1.934 0.016 . 1 . . . A 36 GLU HB3 . 19849 1 304 . 1 1 36 36 GLU HG2 H 1 2.356 0.022 . 1 . . . A 36 GLU HG2 . 19849 1 305 . 1 1 36 36 GLU C C 13 174.745 0.000 . 1 . . . A 36 GLU C . 19849 1 306 . 1 1 36 36 GLU CA C 13 55.191 0.079 . 1 . . . A 36 GLU CA . 19849 1 307 . 1 1 36 36 GLU CB C 13 33.086 0.000 . 1 . . . A 36 GLU CB . 19849 1 308 . 1 1 36 36 GLU N N 15 123.537 0.048 . 1 . . . A 36 GLU N . 19849 1 309 . 1 1 37 37 VAL H H 1 8.497 0.024 . 1 . . . A 37 VAL H . 19849 1 310 . 1 1 37 37 VAL HA H 1 4.612 0.017 . 1 . . . A 37 VAL HA . 19849 1 311 . 1 1 37 37 VAL HB H 1 1.933 0.017 . 1 . . . A 37 VAL HB . 19849 1 312 . 1 1 37 37 VAL HG11 H 1 0.915 0.016 . 2 . . . A 37 VAL HG11 . 19849 1 313 . 1 1 37 37 VAL HG12 H 1 0.915 0.016 . 2 . . . A 37 VAL HG12 . 19849 1 314 . 1 1 37 37 VAL HG13 H 1 0.915 0.016 . 2 . . . A 37 VAL HG13 . 19849 1 315 . 1 1 37 37 VAL HG21 H 1 0.796 0.023 . 2 . . . A 37 VAL HG21 . 19849 1 316 . 1 1 37 37 VAL HG22 H 1 0.796 0.023 . 2 . . . A 37 VAL HG22 . 19849 1 317 . 1 1 37 37 VAL HG23 H 1 0.796 0.023 . 2 . . . A 37 VAL HG23 . 19849 1 318 . 1 1 37 37 VAL C C 13 172.679 0.000 . 1 . . . A 37 VAL C . 19849 1 319 . 1 1 37 37 VAL CA C 13 60.290 0.065 . 1 . . . A 37 VAL CA . 19849 1 320 . 1 1 37 37 VAL CB C 13 35.021 0.000 . 1 . . . A 37 VAL CB . 19849 1 321 . 1 1 37 37 VAL N N 15 120.272 0.173 . 1 . . . A 37 VAL N . 19849 1 322 . 1 1 38 38 VAL H H 1 8.169 0.016 . 1 . . . A 38 VAL H . 19849 1 323 . 1 1 38 38 VAL HA H 1 5.257 0.001 . 1 . . . A 38 VAL HA . 19849 1 324 . 1 1 38 38 VAL HB H 1 1.375 0.000 . 1 . . . A 38 VAL HB . 19849 1 325 . 1 1 38 38 VAL HG11 H 1 0.054 0.021 . 2 . . . A 38 VAL HG11 . 19849 1 326 . 1 1 38 38 VAL HG12 H 1 0.054 0.021 . 2 . . . A 38 VAL HG12 . 19849 1 327 . 1 1 38 38 VAL HG13 H 1 0.054 0.021 . 2 . . . A 38 VAL HG13 . 19849 1 328 . 1 1 38 38 VAL HG21 H 1 0.430 0.018 . 2 . . . A 38 VAL HG21 . 19849 1 329 . 1 1 38 38 VAL HG22 H 1 0.430 0.018 . 2 . . . A 38 VAL HG22 . 19849 1 330 . 1 1 38 38 VAL HG23 H 1 0.430 0.018 . 2 . . . A 38 VAL HG23 . 19849 1 331 . 1 1 38 38 VAL C C 13 175.842 0.000 . 1 . . . A 38 VAL C . 19849 1 332 . 1 1 38 38 VAL CA C 13 59.474 0.077 . 1 . . . A 38 VAL CA . 19849 1 333 . 1 1 38 38 VAL CB C 13 33.115 0.000 . 1 . . . A 38 VAL CB . 19849 1 334 . 1 1 38 38 VAL N N 15 127.971 0.033 . 1 . . . A 38 VAL N . 19849 1 335 . 1 1 39 39 SER H H 1 8.304 0.054 . 1 . . . A 39 SER H . 19849 1 336 . 1 1 39 39 SER HA H 1 4.821 0.013 . 1 . . . A 39 SER HA . 19849 1 337 . 1 1 39 39 SER HB3 H 1 4.532 0.022 . 1 . . . A 39 SER HB3 . 19849 1 338 . 1 1 39 39 SER C C 13 175.323 0.000 . 1 . . . A 39 SER C . 19849 1 339 . 1 1 39 39 SER CA C 13 55.888 0.074 . 1 . . . A 39 SER CA . 19849 1 340 . 1 1 39 39 SER CB C 13 64.183 0.000 . 1 . . . A 39 SER CB . 19849 1 341 . 1 1 39 39 SER N N 15 117.426 0.105 . 1 . . . A 39 SER N . 19849 1 342 . 1 1 40 40 GLU H H 1 9.911 0.030 . 1 . . . A 40 GLU H . 19849 1 343 . 1 1 40 40 GLU HA H 1 4.119 0.012 . 1 . . . A 40 GLU HA . 19849 1 344 . 1 1 40 40 GLU HB3 H 1 2.085 0.000 . 1 . . . A 40 GLU HB3 . 19849 1 345 . 1 1 40 40 GLU HG2 H 1 2.363 0.003 . 2 . . . A 40 GLU HG2 . 19849 1 346 . 1 1 40 40 GLU HG3 H 1 2.246 0.019 . 2 . . . A 40 GLU HG3 . 19849 1 347 . 1 1 40 40 GLU C C 13 177.887 0.000 . 1 . . . A 40 GLU C . 19849 1 348 . 1 1 40 40 GLU CA C 13 58.681 0.091 . 1 . . . A 40 GLU CA . 19849 1 349 . 1 1 40 40 GLU CB C 13 29.630 0.000 . 1 . . . A 40 GLU CB . 19849 1 350 . 1 1 40 40 GLU N N 15 131.571 0.052 . 1 . . . A 40 GLU N . 19849 1 351 . 1 1 41 41 GLN H H 1 8.219 0.025 . 1 . . . A 41 GLN H . 19849 1 352 . 1 1 41 41 GLN HA H 1 3.984 0.008 . 1 . . . A 41 GLN HA . 19849 1 353 . 1 1 41 41 GLN HE21 H 1 7.283 0.008 . 1 . . . A 41 GLN HE21 . 19849 1 354 . 1 1 41 41 GLN HE22 H 1 6.655 0.009 . 1 . . . A 41 GLN HE22 . 19849 1 355 . 1 1 41 41 GLN C C 13 176.391 0.000 . 1 . . . A 41 GLN C . 19849 1 356 . 1 1 41 41 GLN CA C 13 57.443 0.019 . 1 . . . A 41 GLN CA . 19849 1 357 . 1 1 41 41 GLN CB C 13 27.903 0.000 . 1 . . . A 41 GLN CB . 19849 1 358 . 1 1 41 41 GLN N N 15 117.534 0.058 . 1 . . . A 41 GLN N . 19849 1 359 . 1 1 41 41 GLN NE2 N 15 109.331 0.029 . 1 . . . A 41 GLN NE2 . 19849 1 360 . 1 1 42 42 PHE H H 1 6.894 0.025 . 1 . . . A 42 PHE H . 19849 1 361 . 1 1 42 42 PHE HA H 1 4.526 0.014 . 1 . . . A 42 PHE HA . 19849 1 362 . 1 1 42 42 PHE HB2 H 1 2.968 0.013 . 1 . . . A 42 PHE HB2 . 19849 1 363 . 1 1 42 42 PHE HD1 H 1 7.190 0.017 . 3 . . . A 42 PHE HD1 . 19849 1 364 . 1 1 42 42 PHE HD2 H 1 7.190 0.017 . 3 . . . A 42 PHE HD2 . 19849 1 365 . 1 1 42 42 PHE HE1 H 1 7.247 0.018 . 3 . . . A 42 PHE HE1 . 19849 1 366 . 1 1 42 42 PHE HE2 H 1 7.247 0.018 . 3 . . . A 42 PHE HE2 . 19849 1 367 . 1 1 42 42 PHE HZ H 1 6.781 0.013 . 1 . . . A 42 PHE HZ . 19849 1 368 . 1 1 42 42 PHE C C 13 175.064 0.000 . 1 . . . A 42 PHE C . 19849 1 369 . 1 1 42 42 PHE CA C 13 54.139 0.083 . 1 . . . A 42 PHE CA . 19849 1 370 . 1 1 42 42 PHE CB C 13 37.636 0.000 . 1 . . . A 42 PHE CB . 19849 1 371 . 1 1 42 42 PHE N N 15 113.224 0.033 . 1 . . . A 42 PHE N . 19849 1 372 . 1 1 43 43 GLU H H 1 7.469 0.027 . 1 . . . A 43 GLU H . 19849 1 373 . 1 1 43 43 GLU HA H 1 3.967 0.003 . 1 . . . A 43 GLU HA . 19849 1 374 . 1 1 43 43 GLU HB3 H 1 1.985 0.000 . 1 . . . A 43 GLU HB3 . 19849 1 375 . 1 1 43 43 GLU CA C 13 58.361 0.057 . 1 . . . A 43 GLU CA . 19849 1 376 . 1 1 43 43 GLU CB C 13 29.234 0.000 . 1 . . . A 43 GLU CB . 19849 1 377 . 1 1 43 43 GLU N N 15 121.136 0.120 . 1 . . . A 43 GLU N . 19849 1 378 . 1 1 44 44 GLY H H 1 9.014 0.023 . 1 . . . A 44 GLY H . 19849 1 379 . 1 1 44 44 GLY HA2 H 1 3.691 0.006 . 2 . . . A 44 GLY HA2 . 19849 1 380 . 1 1 44 44 GLY HA3 H 1 4.138 0.014 . 2 . . . A 44 GLY HA3 . 19849 1 381 . 1 1 44 44 GLY C C 13 174.101 0.000 . 1 . . . A 44 GLY C . 19849 1 382 . 1 1 44 44 GLY CA C 13 45.625 0.070 . 1 . . . A 44 GLY CA . 19849 1 383 . 1 1 44 44 GLY N N 15 114.819 0.051 . 1 . . . A 44 GLY N . 19849 1 384 . 1 1 45 45 LYS H H 1 7.932 0.024 . 1 . . . A 45 LYS H . 19849 1 385 . 1 1 45 45 LYS HA H 1 4.689 0.000 . 1 . . . A 45 LYS HA . 19849 1 386 . 1 1 45 45 LYS HB2 H 1 1.909 0.014 . 2 . . . A 45 LYS HB2 . 19849 1 387 . 1 1 45 45 LYS HB3 H 1 1.567 0.006 . 2 . . . A 45 LYS HB3 . 19849 1 388 . 1 1 45 45 LYS HG2 H 1 1.458 0.016 . 2 . . . A 45 LYS HG2 . 19849 1 389 . 1 1 45 45 LYS HG3 H 1 1.311 0.018 . 2 . . . A 45 LYS HG3 . 19849 1 390 . 1 1 45 45 LYS HZ1 H 1 7.065 0.000 . 1 . . . A 45 LYS HZ1 . 19849 1 391 . 1 1 45 45 LYS HZ2 H 1 7.065 0.000 . 1 . . . A 45 LYS HZ2 . 19849 1 392 . 1 1 45 45 LYS HZ3 H 1 7.065 0.000 . 1 . . . A 45 LYS HZ3 . 19849 1 393 . 1 1 45 45 LYS C C 13 177.858 0.000 . 1 . . . A 45 LYS C . 19849 1 394 . 1 1 45 45 LYS CA C 13 53.561 0.007 . 1 . . . A 45 LYS CA . 19849 1 395 . 1 1 45 45 LYS CB C 13 33.441 0.000 . 1 . . . A 45 LYS CB . 19849 1 396 . 1 1 45 45 LYS N N 15 118.678 0.034 . 1 . . . A 45 LYS N . 19849 1 397 . 1 1 46 46 ARG H H 1 9.288 0.027 . 1 . . . A 46 ARG H . 19849 1 398 . 1 1 46 46 ARG HA H 1 4.293 0.001 . 1 . . . A 46 ARG HA . 19849 1 399 . 1 1 46 46 ARG HB2 H 1 1.753 0.002 . 2 . . . A 46 ARG HB2 . 19849 1 400 . 1 1 46 46 ARG HB3 H 1 2.076 0.000 . 2 . . . A 46 ARG HB3 . 19849 1 401 . 1 1 46 46 ARG CA C 13 55.779 0.000 . 1 . . . A 46 ARG CA . 19849 1 402 . 1 1 46 46 ARG N N 15 125.430 0.031 . 1 . . . A 46 ARG N . 19849 1 403 . 1 1 47 47 LEU H H 1 8.320 0.005 . 1 . . . A 47 LEU H . 19849 1 404 . 1 1 47 47 LEU HA H 1 3.702 0.002 . 1 . . . A 47 LEU HA . 19849 1 405 . 1 1 47 47 LEU HB2 H 1 1.018 0.014 . 2 . . . A 47 LEU HB2 . 19849 1 406 . 1 1 47 47 LEU HB3 H 1 1.443 0.019 . 2 . . . A 47 LEU HB3 . 19849 1 407 . 1 1 47 47 LEU C C 13 178.476 0.000 . 1 . . . A 47 LEU C . 19849 1 408 . 1 1 47 47 LEU CA C 13 60.689 0.000 . 1 . . . A 47 LEU CA . 19849 1 409 . 1 1 47 47 LEU N N 15 124.205 0.043 . 1 . . . A 47 LEU N . 19849 1 410 . 1 1 48 48 LEU H H 1 8.587 0.016 . 1 . . . A 48 LEU H . 19849 1 411 . 1 1 48 48 LEU HA H 1 3.772 0.016 . 1 . . . A 48 LEU HA . 19849 1 412 . 1 1 48 48 LEU HB2 H 1 1.414 0.017 . 2 . . . A 48 LEU HB2 . 19849 1 413 . 1 1 48 48 LEU HB3 H 1 1.583 0.014 . 2 . . . A 48 LEU HB3 . 19849 1 414 . 1 1 48 48 LEU HD11 H 1 0.856 0.023 . 1 . . . A 48 LEU HD11 . 19849 1 415 . 1 1 48 48 LEU HD12 H 1 0.856 0.023 . 1 . . . A 48 LEU HD12 . 19849 1 416 . 1 1 48 48 LEU HD13 H 1 0.856 0.023 . 1 . . . A 48 LEU HD13 . 19849 1 417 . 1 1 48 48 LEU C C 13 179.985 0.000 . 1 . . . A 48 LEU C . 19849 1 418 . 1 1 48 48 LEU CA C 13 58.623 0.000 . 1 . . . A 48 LEU CA . 19849 1 419 . 1 1 48 48 LEU N N 15 115.874 0.102 . 1 . . . A 48 LEU N . 19849 1 420 . 1 1 49 49 GLU H H 1 6.964 0.023 . 1 . . . A 49 GLU H . 19849 1 421 . 1 1 49 49 GLU HA H 1 4.108 0.016 . 1 . . . A 49 GLU HA . 19849 1 422 . 1 1 49 49 GLU HB3 H 1 1.985 0.009 . 1 . . . A 49 GLU HB3 . 19849 1 423 . 1 1 49 49 GLU HG2 H 1 2.275 0.010 . 1 . . . A 49 GLU HG2 . 19849 1 424 . 1 1 49 49 GLU C C 13 177.944 0.000 . 1 . . . A 49 GLU C . 19849 1 425 . 1 1 49 49 GLU CA C 13 58.418 0.000 . 1 . . . A 49 GLU CA . 19849 1 426 . 1 1 49 49 GLU N N 15 118.216 0.046 . 1 . . . A 49 GLU N . 19849 1 427 . 1 1 50 50 ARG H H 1 7.991 0.015 . 1 . . . A 50 ARG H . 19849 1 428 . 1 1 50 50 ARG HA H 1 3.917 0.005 . 1 . . . A 50 ARG HA . 19849 1 429 . 1 1 50 50 ARG HB2 H 1 1.758 0.017 . 1 . . . A 50 ARG HB2 . 19849 1 430 . 1 1 50 50 ARG CA C 13 59.074 0.000 . 1 . . . A 50 ARG CA . 19849 1 431 . 1 1 50 50 ARG CB C 13 29.011 0.000 . 1 . . . A 50 ARG CB . 19849 1 432 . 1 1 50 50 ARG N N 15 119.674 0.162 . 1 . . . A 50 ARG N . 19849 1 433 . 1 1 51 51 HIS H H 1 8.294 0.017 . 1 . . . A 51 HIS H . 19849 1 434 . 1 1 51 51 HIS HA H 1 3.996 0.023 . 1 . . . A 51 HIS HA . 19849 1 435 . 1 1 51 51 HIS HB3 H 1 3.234 0.010 . 1 . . . A 51 HIS HB3 . 19849 1 436 . 1 1 51 51 HIS HD2 H 1 6.214 0.001 . 1 . . . A 51 HIS HD2 . 19849 1 437 . 1 1 51 51 HIS HE1 H 1 7.705 0.001 . 1 . . . A 51 HIS HE1 . 19849 1 438 . 1 1 51 51 HIS C C 13 176.638 0.000 . 1 . . . A 51 HIS C . 19849 1 439 . 1 1 51 51 HIS N N 15 117.056 0.043 . 1 . . . A 51 HIS N . 19849 1 440 . 1 1 52 52 ARG H H 1 8.001 0.023 . 1 . . . A 52 ARG H . 19849 1 441 . 1 1 52 52 ARG HA H 1 4.218 0.000 . 1 . . . A 52 ARG HA . 19849 1 442 . 1 1 52 52 ARG HB2 H 1 1.967 0.010 . 1 . . . A 52 ARG HB2 . 19849 1 443 . 1 1 52 52 ARG C C 13 179.014 0.000 . 1 . . . A 52 ARG C . 19849 1 444 . 1 1 52 52 ARG CA C 13 59.992 0.000 . 1 . . . A 52 ARG CA . 19849 1 445 . 1 1 52 52 ARG CB C 13 29.559 0.000 . 1 . . . A 52 ARG CB . 19849 1 446 . 1 1 52 52 ARG N N 15 120.626 0.407 . 1 . . . A 52 ARG N . 19849 1 447 . 1 1 53 53 MET H H 1 8.162 0.022 . 1 . . . A 53 MET H . 19849 1 448 . 1 1 53 53 MET HA H 1 4.006 0.019 . 1 . . . A 53 MET HA . 19849 1 449 . 1 1 53 53 MET HB2 H 1 2.544 0.012 . 2 . . . A 53 MET HB2 . 19849 1 450 . 1 1 53 53 MET HB3 H 1 2.546 0.004 . 2 . . . A 53 MET HB3 . 19849 1 451 . 1 1 53 53 MET C C 13 179.286 0.000 . 1 . . . A 53 MET C . 19849 1 452 . 1 1 53 53 MET CA C 13 59.404 0.074 . 1 . . . A 53 MET CA . 19849 1 453 . 1 1 53 53 MET CB C 13 34.976 0.000 . 1 . . . A 53 MET CB . 19849 1 454 . 1 1 53 53 MET N N 15 119.087 0.042 . 1 . . . A 53 MET N . 19849 1 455 . 1 1 54 54 VAL H H 1 7.790 0.021 . 1 . . . A 54 VAL H . 19849 1 456 . 1 1 54 54 VAL HA H 1 3.425 0.014 . 1 . . . A 54 VAL HA . 19849 1 457 . 1 1 54 54 VAL HB H 1 2.230 0.013 . 1 . . . A 54 VAL HB . 19849 1 458 . 1 1 54 54 VAL HG21 H 1 0.703 0.018 . 1 . . . A 54 VAL HG21 . 19849 1 459 . 1 1 54 54 VAL HG22 H 1 0.703 0.018 . 1 . . . A 54 VAL HG22 . 19849 1 460 . 1 1 54 54 VAL HG23 H 1 0.703 0.018 . 1 . . . A 54 VAL HG23 . 19849 1 461 . 1 1 54 54 VAL C C 13 176.296 0.000 . 1 . . . A 54 VAL C . 19849 1 462 . 1 1 54 54 VAL CA C 13 66.833 0.094 . 1 . . . A 54 VAL CA . 19849 1 463 . 1 1 54 54 VAL CB C 13 31.444 0.000 . 1 . . . A 54 VAL CB . 19849 1 464 . 1 1 54 54 VAL N N 15 120.886 0.033 . 1 . . . A 54 VAL N . 19849 1 465 . 1 1 55 55 ASN H H 1 8.032 0.025 . 1 . . . A 55 ASN H . 19849 1 466 . 1 1 55 55 ASN HA H 1 4.013 0.016 . 1 . . . A 55 ASN HA . 19849 1 467 . 1 1 55 55 ASN HB2 H 1 2.686 0.023 . 2 . . . A 55 ASN HB2 . 19849 1 468 . 1 1 55 55 ASN HB3 H 1 2.488 0.000 . 2 . . . A 55 ASN HB3 . 19849 1 469 . 1 1 55 55 ASN HD21 H 1 7.047 0.008 . 1 . . . A 55 ASN HD21 . 19849 1 470 . 1 1 55 55 ASN HD22 H 1 6.648 0.007 . 1 . . . A 55 ASN HD22 . 19849 1 471 . 1 1 55 55 ASN C C 13 178.422 0.000 . 1 . . . A 55 ASN C . 19849 1 472 . 1 1 55 55 ASN CA C 13 57.129 0.052 . 1 . . . A 55 ASN CA . 19849 1 473 . 1 1 55 55 ASN CB C 13 38.867 0.000 . 1 . . . A 55 ASN CB . 19849 1 474 . 1 1 55 55 ASN N N 15 116.881 0.049 . 1 . . . A 55 ASN N . 19849 1 475 . 1 1 55 55 ASN ND2 N 15 108.566 0.047 . 1 . . . A 55 ASN ND2 . 19849 1 476 . 1 1 56 56 ALA H H 1 8.578 0.022 . 1 . . . A 56 ALA H . 19849 1 477 . 1 1 56 56 ALA HA H 1 4.083 0.009 . 1 . . . A 56 ALA HA . 19849 1 478 . 1 1 56 56 ALA HB1 H 1 1.419 0.016 . 1 . . . A 56 ALA HB1 . 19849 1 479 . 1 1 56 56 ALA HB2 H 1 1.419 0.016 . 1 . . . A 56 ALA HB2 . 19849 1 480 . 1 1 56 56 ALA HB3 H 1 1.419 0.016 . 1 . . . A 56 ALA HB3 . 19849 1 481 . 1 1 56 56 ALA C C 13 180.700 0.000 . 1 . . . A 56 ALA C . 19849 1 482 . 1 1 56 56 ALA CA C 13 54.600 0.025 . 1 . . . A 56 ALA CA . 19849 1 483 . 1 1 56 56 ALA CB C 13 18.262 0.000 . 1 . . . A 56 ALA CB . 19849 1 484 . 1 1 56 56 ALA N N 15 121.164 0.042 . 1 . . . A 56 ALA N . 19849 1 485 . 1 1 57 57 ALA H H 1 7.609 0.021 . 1 . . . A 57 ALA H . 19849 1 486 . 1 1 57 57 ALA HA H 1 4.032 0.002 . 1 . . . A 57 ALA HA . 19849 1 487 . 1 1 57 57 ALA HB1 H 1 1.402 0.003 . 1 . . . A 57 ALA HB1 . 19849 1 488 . 1 1 57 57 ALA HB2 H 1 1.402 0.003 . 1 . . . A 57 ALA HB2 . 19849 1 489 . 1 1 57 57 ALA HB3 H 1 1.402 0.003 . 1 . . . A 57 ALA HB3 . 19849 1 490 . 1 1 57 57 ALA C C 13 177.240 0.000 . 1 . . . A 57 ALA C . 19849 1 491 . 1 1 57 57 ALA CA C 13 54.087 0.042 . 1 . . . A 57 ALA CA . 19849 1 492 . 1 1 57 57 ALA CB C 13 18.462 0.000 . 1 . . . A 57 ALA CB . 19849 1 493 . 1 1 57 57 ALA N N 15 121.156 0.088 . 1 . . . A 57 ALA N . 19849 1 494 . 1 1 58 58 LEU H H 1 6.995 0.030 . 1 . . . A 58 LEU H . 19849 1 495 . 1 1 58 58 LEU HA H 1 4.895 0.016 . 1 . . . A 58 LEU HA . 19849 1 496 . 1 1 58 58 LEU HB2 H 1 1.681 0.016 . 2 . . . A 58 LEU HB2 . 19849 1 497 . 1 1 58 58 LEU HB3 H 1 1.543 0.012 . 2 . . . A 58 LEU HB3 . 19849 1 498 . 1 1 58 58 LEU C C 13 176.446 0.000 . 1 . . . A 58 LEU C . 19849 1 499 . 1 1 58 58 LEU CA C 13 52.521 0.029 . 1 . . . A 58 LEU CA . 19849 1 500 . 1 1 58 58 LEU CB C 13 42.753 0.000 . 1 . . . A 58 LEU CB . 19849 1 501 . 1 1 58 58 LEU N N 15 116.065 0.019 . 1 . . . A 58 LEU N . 19849 1 502 . 1 1 59 59 GLU H H 1 7.034 0.030 . 1 . . . A 59 GLU H . 19849 1 503 . 1 1 59 59 GLU HA H 1 3.774 0.000 . 1 . . . A 59 GLU HA . 19849 1 504 . 1 1 59 59 GLU HB2 H 1 1.928 0.023 . 2 . . . A 59 GLU HB2 . 19849 1 505 . 1 1 59 59 GLU HB3 H 1 1.990 0.001 . 2 . . . A 59 GLU HB3 . 19849 1 506 . 1 1 59 59 GLU CA C 13 60.736 0.058 . 1 . . . A 59 GLU CA . 19849 1 507 . 1 1 59 59 GLU CB C 13 30.007 0.000 . 1 . . . A 59 GLU CB . 19849 1 508 . 1 1 59 59 GLU N N 15 120.288 0.070 . 1 . . . A 59 GLU N . 19849 1 509 . 1 1 60 60 GLU H H 1 8.622 0.034 . 1 . . . A 60 GLU H . 19849 1 510 . 1 1 60 60 GLU HA H 1 4.030 0.001 . 1 . . . A 60 GLU HA . 19849 1 511 . 1 1 60 60 GLU HB3 H 1 1.829 0.001 . 1 . . . A 60 GLU HB3 . 19849 1 512 . 1 1 60 60 GLU HG2 H 1 2.217 0.000 . 1 . . . A 60 GLU HG2 . 19849 1 513 . 1 1 60 60 GLU C C 13 179.270 0.000 . 1 . . . A 60 GLU C . 19849 1 514 . 1 1 60 60 GLU CA C 13 58.693 0.068 . 1 . . . A 60 GLU CA . 19849 1 515 . 1 1 60 60 GLU CB C 13 29.316 0.000 . 1 . . . A 60 GLU CB . 19849 1 516 . 1 1 60 60 GLU N N 15 116.322 0.166 . 1 . . . A 60 GLU N . 19849 1 517 . 1 1 61 61 GLU H H 1 8.946 0.014 . 1 . . . A 61 GLU H . 19849 1 518 . 1 1 61 61 GLU HA H 1 3.890 0.022 . 1 . . . A 61 GLU HA . 19849 1 519 . 1 1 61 61 GLU HB2 H 1 1.657 0.011 . 2 . . . A 61 GLU HB2 . 19849 1 520 . 1 1 61 61 GLU HB3 H 1 2.109 0.020 . 2 . . . A 61 GLU HB3 . 19849 1 521 . 1 1 61 61 GLU C C 13 179.010 0.000 . 1 . . . A 61 GLU C . 19849 1 522 . 1 1 61 61 GLU CA C 13 60.962 0.036 . 1 . . . A 61 GLU CA . 19849 1 523 . 1 1 61 61 GLU CB C 13 28.475 0.000 . 1 . . . A 61 GLU CB . 19849 1 524 . 1 1 61 61 GLU N N 15 121.506 0.147 . 1 . . . A 61 GLU N . 19849 1 525 . 1 1 62 62 MET H H 1 8.693 0.007 . 1 . . . A 62 MET H . 19849 1 526 . 1 1 62 62 MET HA H 1 4.312 0.014 . 1 . . . A 62 MET HA . 19849 1 527 . 1 1 62 62 MET HB3 H 1 2.073 0.021 . 1 . . . A 62 MET HB3 . 19849 1 528 . 1 1 62 62 MET CA C 13 56.302 0.017 . 1 . . . A 62 MET CA . 19849 1 529 . 1 1 62 62 MET CB C 13 30.553 0.000 . 1 . . . A 62 MET CB . 19849 1 530 . 1 1 62 62 MET N N 15 116.213 0.159 . 1 . . . A 62 MET N . 19849 1 531 . 1 1 63 63 LYS H H 1 7.470 0.040 . 1 . . . A 63 LYS H . 19849 1 532 . 1 1 63 63 LYS HA H 1 4.085 0.009 . 1 . . . A 63 LYS HA . 19849 1 533 . 1 1 63 63 LYS HB2 H 1 1.823 0.010 . 1 . . . A 63 LYS HB2 . 19849 1 534 . 1 1 63 63 LYS HG2 H 1 1.412 0.016 . 1 . . . A 63 LYS HG2 . 19849 1 535 . 1 1 63 63 LYS C C 13 177.541 0.000 . 1 . . . A 63 LYS C . 19849 1 536 . 1 1 63 63 LYS CA C 13 58.728 0.067 . 1 . . . A 63 LYS CA . 19849 1 537 . 1 1 63 63 LYS CB C 13 32.525 0.000 . 1 . . . A 63 LYS CB . 19849 1 538 . 1 1 63 63 LYS N N 15 116.969 0.106 . 1 . . . A 63 LYS N . 19849 1 539 . 1 1 64 64 GLU H H 1 7.773 0.020 . 1 . . . A 64 GLU H . 19849 1 540 . 1 1 64 64 GLU HA H 1 4.465 0.001 . 1 . . . A 64 GLU HA . 19849 1 541 . 1 1 64 64 GLU HB2 H 1 1.799 0.016 . 2 . . . A 64 GLU HB2 . 19849 1 542 . 1 1 64 64 GLU HB3 H 1 2.133 0.000 . 2 . . . A 64 GLU HB3 . 19849 1 543 . 1 1 64 64 GLU C C 13 175.679 0.000 . 1 . . . A 64 GLU C . 19849 1 544 . 1 1 64 64 GLU CA C 13 55.603 0.023 . 1 . . . A 64 GLU CA . 19849 1 545 . 1 1 64 64 GLU CB C 13 32.270 0.000 . 1 . . . A 64 GLU CB . 19849 1 546 . 1 1 64 64 GLU N N 15 115.556 0.055 . 1 . . . A 64 GLU N . 19849 1 547 . 1 1 65 65 ILE H H 1 7.502 0.044 . 1 . . . A 65 ILE H . 19849 1 548 . 1 1 65 65 ILE HA H 1 4.079 0.015 . 1 . . . A 65 ILE HA . 19849 1 549 . 1 1 65 65 ILE HB H 1 1.898 0.014 . 1 . . . A 65 ILE HB . 19849 1 550 . 1 1 65 65 ILE HG12 H 1 0.852 0.017 . 1 . . . A 65 ILE HG12 . 19849 1 551 . 1 1 65 65 ILE HG21 H 1 0.955 0.001 . 1 . . . A 65 ILE HG21 . 19849 1 552 . 1 1 65 65 ILE HG22 H 1 0.955 0.001 . 1 . . . A 65 ILE HG22 . 19849 1 553 . 1 1 65 65 ILE HG23 H 1 0.955 0.001 . 1 . . . A 65 ILE HG23 . 19849 1 554 . 1 1 65 65 ILE HD11 H 1 0.711 0.025 . 1 . . . A 65 ILE HD11 . 19849 1 555 . 1 1 65 65 ILE HD12 H 1 0.711 0.025 . 1 . . . A 65 ILE HD12 . 19849 1 556 . 1 1 65 65 ILE HD13 H 1 0.711 0.025 . 1 . . . A 65 ILE HD13 . 19849 1 557 . 1 1 65 65 ILE CA C 13 61.708 0.056 . 1 . . . A 65 ILE CA . 19849 1 558 . 1 1 65 65 ILE CB C 13 40.082 0.000 . 1 . . . A 65 ILE CB . 19849 1 559 . 1 1 65 65 ILE N N 15 120.461 0.081 . 1 . . . A 65 ILE N . 19849 1 560 . 1 1 66 66 HIS H H 1 9.196 0.029 . 1 . . . A 66 HIS H . 19849 1 561 . 1 1 66 66 HIS HA H 1 4.545 0.024 . 1 . . . A 66 HIS HA . 19849 1 562 . 1 1 66 66 HIS HB2 H 1 3.146 0.016 . 2 . . . A 66 HIS HB2 . 19849 1 563 . 1 1 66 66 HIS HB3 H 1 3.059 0.000 . 2 . . . A 66 HIS HB3 . 19849 1 564 . 1 1 66 66 HIS HD2 H 1 7.047 0.009 . 1 . . . A 66 HIS HD2 . 19849 1 565 . 1 1 66 66 HIS HE1 H 1 8.344 0.000 . 1 . . . A 66 HIS HE1 . 19849 1 566 . 1 1 66 66 HIS CA C 13 57.683 0.037 . 1 . . . A 66 HIS CA . 19849 1 567 . 1 1 66 66 HIS CB C 13 30.277 0.000 . 1 . . . A 66 HIS CB . 19849 1 568 . 1 1 66 66 HIS N N 15 125.683 0.338 . 1 . . . A 66 HIS N . 19849 1 569 . 1 1 67 67 ALA H H 1 7.493 0.050 . 1 . . . A 67 ALA H . 19849 1 570 . 1 1 67 67 ALA HA H 1 4.424 0.018 . 1 . . . A 67 ALA HA . 19849 1 571 . 1 1 67 67 ALA HB1 H 1 1.214 0.016 . 1 . . . A 67 ALA HB1 . 19849 1 572 . 1 1 67 67 ALA HB2 H 1 1.214 0.016 . 1 . . . A 67 ALA HB2 . 19849 1 573 . 1 1 67 67 ALA HB3 H 1 1.214 0.016 . 1 . . . A 67 ALA HB3 . 19849 1 574 . 1 1 67 67 ALA C C 13 173.834 0.000 . 1 . . . A 67 ALA C . 19849 1 575 . 1 1 67 67 ALA CA C 13 52.149 0.040 . 1 . . . A 67 ALA CA . 19849 1 576 . 1 1 67 67 ALA CB C 13 21.441 0.000 . 1 . . . A 67 ALA CB . 19849 1 577 . 1 1 67 67 ALA N N 15 120.229 0.156 . 1 . . . A 67 ALA N . 19849 1 578 . 1 1 68 68 LEU H H 1 8.557 0.025 . 1 . . . A 68 LEU H . 19849 1 579 . 1 1 68 68 LEU HA H 1 4.994 0.017 . 1 . . . A 68 LEU HA . 19849 1 580 . 1 1 68 68 LEU HB2 H 1 1.786 0.014 . 2 . . . A 68 LEU HB2 . 19849 1 581 . 1 1 68 68 LEU HB3 H 1 1.203 0.016 . 2 . . . A 68 LEU HB3 . 19849 1 582 . 1 1 68 68 LEU C C 13 175.157 0.000 . 1 . . . A 68 LEU C . 19849 1 583 . 1 1 68 68 LEU CA C 13 53.191 0.055 . 1 . . . A 68 LEU CA . 19849 1 584 . 1 1 68 68 LEU CB C 13 44.768 0.000 . 1 . . . A 68 LEU CB . 19849 1 585 . 1 1 68 68 LEU N N 15 124.546 0.038 . 1 . . . A 68 LEU N . 19849 1 586 . 1 1 69 69 SER H H 1 8.854 0.023 . 1 . . . A 69 SER H . 19849 1 587 . 1 1 69 69 SER HA H 1 4.677 0.009 . 1 . . . A 69 SER HA . 19849 1 588 . 1 1 69 69 SER HB2 H 1 3.665 0.017 . 2 . . . A 69 SER HB2 . 19849 1 589 . 1 1 69 69 SER HB3 H 1 3.765 0.012 . 2 . . . A 69 SER HB3 . 19849 1 590 . 1 1 69 69 SER C C 13 173.548 0.000 . 1 . . . A 69 SER C . 19849 1 591 . 1 1 69 69 SER CA C 13 55.803 0.075 . 1 . . . A 69 SER CA . 19849 1 592 . 1 1 69 69 SER CB C 13 63.549 0.000 . 1 . . . A 69 SER CB . 19849 1 593 . 1 1 69 69 SER N N 15 122.077 0.045 . 1 . . . A 69 SER N . 19849 1 594 . 1 1 70 70 ILE H H 1 8.922 0.027 . 1 . . . A 70 ILE H . 19849 1 595 . 1 1 70 70 ILE HA H 1 4.106 0.021 . 1 . . . A 70 ILE HA . 19849 1 596 . 1 1 70 70 ILE HB H 1 1.019 0.016 . 1 . . . A 70 ILE HB . 19849 1 597 . 1 1 70 70 ILE HG12 H 1 0.362 0.019 . 1 . . . A 70 ILE HG12 . 19849 1 598 . 1 1 70 70 ILE C C 13 175.059 0.000 . 1 . . . A 70 ILE C . 19849 1 599 . 1 1 70 70 ILE CA C 13 60.633 0.047 . 1 . . . A 70 ILE CA . 19849 1 600 . 1 1 70 70 ILE CB C 13 36.427 0.000 . 1 . . . A 70 ILE CB . 19849 1 601 . 1 1 70 70 ILE N N 15 129.143 0.043 . 1 . . . A 70 ILE N . 19849 1 602 . 1 1 71 71 LYS H H 1 8.676 0.016 . 1 . . . A 71 LYS H . 19849 1 603 . 1 1 71 71 LYS HA H 1 4.072 0.001 . 1 . . . A 71 LYS HA . 19849 1 604 . 1 1 71 71 LYS HB2 H 1 1.677 0.000 . 1 . . . A 71 LYS HB2 . 19849 1 605 . 1 1 71 71 LYS HG2 H 1 1.418 0.020 . 2 . . . A 71 LYS HG2 . 19849 1 606 . 1 1 71 71 LYS HG3 H 1 1.298 0.009 . 2 . . . A 71 LYS HG3 . 19849 1 607 . 1 1 71 71 LYS C C 13 177.201 0.000 . 1 . . . A 71 LYS C . 19849 1 608 . 1 1 71 71 LYS CA C 13 57.938 0.025 . 1 . . . A 71 LYS CA . 19849 1 609 . 1 1 71 71 LYS CB C 13 33.426 0.000 . 1 . . . A 71 LYS CB . 19849 1 610 . 1 1 71 71 LYS N N 15 130.019 0.026 . 1 . . . A 71 LYS N . 19849 1 611 . 1 1 72 72 LYS H H 1 7.195 0.018 . 1 . . . A 72 LYS H . 19849 1 612 . 1 1 72 72 LYS HA H 1 4.475 0.014 . 1 . . . A 72 LYS HA . 19849 1 613 . 1 1 72 72 LYS HB2 H 1 1.566 0.008 . 1 . . . A 72 LYS HB2 . 19849 1 614 . 1 1 72 72 LYS HG2 H 1 1.312 0.020 . 1 . . . A 72 LYS HG2 . 19849 1 615 . 1 1 72 72 LYS C C 13 174.013 0.000 . 1 . . . A 72 LYS C . 19849 1 616 . 1 1 72 72 LYS CA C 13 55.964 0.056 . 1 . . . A 72 LYS CA . 19849 1 617 . 1 1 72 72 LYS CB C 13 37.694 0.000 . 1 . . . A 72 LYS CB . 19849 1 618 . 1 1 72 72 LYS N N 15 113.659 0.080 . 1 . . . A 72 LYS N . 19849 1 619 . 1 1 73 73 ALA H H 1 8.847 0.022 . 1 . . . A 73 ALA H . 19849 1 620 . 1 1 73 73 ALA HA H 1 5.202 0.014 . 1 . . . A 73 ALA HA . 19849 1 621 . 1 1 73 73 ALA HB1 H 1 0.606 0.017 . 1 . . . A 73 ALA HB1 . 19849 1 622 . 1 1 73 73 ALA HB2 H 1 0.606 0.017 . 1 . . . A 73 ALA HB2 . 19849 1 623 . 1 1 73 73 ALA HB3 H 1 0.606 0.017 . 1 . . . A 73 ALA HB3 . 19849 1 624 . 1 1 73 73 ALA C C 13 175.410 0.000 . 1 . . . A 73 ALA C . 19849 1 625 . 1 1 73 73 ALA CA C 13 50.948 0.081 . 1 . . . A 73 ALA CA . 19849 1 626 . 1 1 73 73 ALA CB C 13 17.688 0.000 . 1 . . . A 73 ALA CB . 19849 1 627 . 1 1 73 73 ALA N N 15 129.019 0.060 . 1 . . . A 73 ALA N . 19849 1 628 . 1 1 74 74 GLN H H 1 8.398 0.064 . 1 . . . A 74 GLN H . 19849 1 629 . 1 1 74 74 GLN HA H 1 4.846 0.017 . 1 . . . A 74 GLN HA . 19849 1 630 . 1 1 74 74 GLN C C 13 175.603 0.000 . 1 . . . A 74 GLN C . 19849 1 631 . 1 1 74 74 GLN CA C 13 54.773 0.069 . 1 . . . A 74 GLN CA . 19849 1 632 . 1 1 74 74 GLN CB C 13 34.955 0.000 . 1 . . . A 74 GLN CB . 19849 1 633 . 1 1 74 74 GLN N N 15 120.993 0.112 . 1 . . . A 74 GLN N . 19849 1 634 . 1 1 75 75 THR H H 1 8.920 0.033 . 1 . . . A 75 THR H . 19849 1 635 . 1 1 75 75 THR HA H 1 4.866 0.006 . 1 . . . A 75 THR HA . 19849 1 636 . 1 1 75 75 THR CA C 13 59.600 0.000 . 1 . . . A 75 THR CA . 19849 1 637 . 1 1 75 75 THR N N 15 111.917 0.138 . 1 . . . A 75 THR N . 19849 1 638 . 1 1 76 76 PRO C C 13 177.659 0.000 . 1 . . . A 76 PRO C . 19849 1 639 . 1 1 76 76 PRO CA C 13 66.443 0.048 . 1 . . . A 76 PRO CA . 19849 1 640 . 1 1 76 76 PRO CB C 13 31.876 0.000 . 1 . . . A 76 PRO CB . 19849 1 641 . 1 1 77 77 GLN H H 1 8.481 0.026 . 1 . . . A 77 GLN H . 19849 1 642 . 1 1 77 77 GLN HA H 1 4.066 0.008 . 1 . . . A 77 GLN HA . 19849 1 643 . 1 1 77 77 GLN HB2 H 1 2.051 0.010 . 1 . . . A 77 GLN HB2 . 19849 1 644 . 1 1 77 77 GLN HG3 H 1 2.423 0.002 . 1 . . . A 77 GLN HG3 . 19849 1 645 . 1 1 77 77 GLN HE21 H 1 7.413 0.006 . 1 . . . A 77 GLN HE21 . 19849 1 646 . 1 1 77 77 GLN HE22 H 1 6.767 0.010 . 1 . . . A 77 GLN HE22 . 19849 1 647 . 1 1 77 77 GLN C C 13 177.630 0.000 . 1 . . . A 77 GLN C . 19849 1 648 . 1 1 77 77 GLN CA C 13 58.652 0.060 . 1 . . . A 77 GLN CA . 19849 1 649 . 1 1 77 77 GLN CB C 13 28.238 0.000 . 1 . . . A 77 GLN CB . 19849 1 650 . 1 1 77 77 GLN N N 15 114.329 0.052 . 1 . . . A 77 GLN N . 19849 1 651 . 1 1 77 77 GLN NE2 N 15 109.246 0.039 . 1 . . . A 77 GLN NE2 . 19849 1 652 . 1 1 78 78 GLN H H 1 7.503 0.023 . 1 . . . A 78 GLN H . 19849 1 653 . 1 1 78 78 GLN HA H 1 4.093 0.018 . 1 . . . A 78 GLN HA . 19849 1 654 . 1 1 78 78 GLN HB2 H 1 1.890 0.007 . 1 . . . A 78 GLN HB2 . 19849 1 655 . 1 1 78 78 GLN HG2 H 1 1.675 0.015 . 1 . . . A 78 GLN HG2 . 19849 1 656 . 1 1 78 78 GLN HG3 H 1 2.340 0.000 . 1 . . . A 78 GLN HG3 . 19849 1 657 . 1 1 78 78 GLN HE21 H 1 7.595 0.009 . 1 . . . A 78 GLN HE21 . 19849 1 658 . 1 1 78 78 GLN HE22 H 1 6.994 0.009 . 1 . . . A 78 GLN HE22 . 19849 1 659 . 1 1 78 78 GLN C C 13 176.403 0.000 . 1 . . . A 78 GLN C . 19849 1 660 . 1 1 78 78 GLN CA C 13 57.293 0.006 . 1 . . . A 78 GLN CA . 19849 1 661 . 1 1 78 78 GLN CB C 13 30.974 0.000 . 1 . . . A 78 GLN CB . 19849 1 662 . 1 1 78 78 GLN N N 15 116.831 0.095 . 1 . . . A 78 GLN N . 19849 1 663 . 1 1 78 78 GLN NE2 N 15 112.650 0.028 . 1 . . . A 78 GLN NE2 . 19849 1 664 . 1 1 79 79 TRP H H 1 7.668 0.016 . 1 . . . A 79 TRP H . 19849 1 665 . 1 1 79 79 TRP HA H 1 4.387 0.005 . 1 . . . A 79 TRP HA . 19849 1 666 . 1 1 79 79 TRP HB2 H 1 3.173 0.010 . 2 . . . A 79 TRP HB2 . 19849 1 667 . 1 1 79 79 TRP HB3 H 1 2.967 0.007 . 2 . . . A 79 TRP HB3 . 19849 1 668 . 1 1 79 79 TRP HD1 H 1 7.150 0.013 . 1 . . . A 79 TRP HD1 . 19849 1 669 . 1 1 79 79 TRP HE1 H 1 9.959 0.005 . 1 . . . A 79 TRP HE1 . 19849 1 670 . 1 1 79 79 TRP HE3 H 1 7.394 0.013 . 1 . . . A 79 TRP HE3 . 19849 1 671 . 1 1 79 79 TRP HZ2 H 1 6.681 0.001 . 1 . . . A 79 TRP HZ2 . 19849 1 672 . 1 1 79 79 TRP HZ3 H 1 6.907 0.001 . 1 . . . A 79 TRP HZ3 . 19849 1 673 . 1 1 79 79 TRP HH2 H 1 6.967 0.025 . 1 . . . A 79 TRP HH2 . 19849 1 674 . 1 1 79 79 TRP C C 13 175.429 0.000 . 1 . . . A 79 TRP C . 19849 1 675 . 1 1 79 79 TRP CA C 13 58.561 0.030 . 1 . . . A 79 TRP CA . 19849 1 676 . 1 1 79 79 TRP CB C 13 30.914 0.000 . 1 . . . A 79 TRP CB . 19849 1 677 . 1 1 79 79 TRP N N 15 120.561 0.052 . 1 . . . A 79 TRP N . 19849 1 678 . 1 1 79 79 TRP NE1 N 15 130.079 0.019 . 1 . . . A 79 TRP NE1 . 19849 1 679 . 1 1 80 80 LYS H H 1 7.768 0.022 . 1 . . . A 80 LYS H . 19849 1 680 . 1 1 80 80 LYS HA H 1 4.200 0.000 . 1 . . . A 80 LYS HA . 19849 1 681 . 1 1 80 80 LYS HB2 H 1 1.243 0.011 . 2 . . . A 80 LYS HB2 . 19849 1 682 . 1 1 80 80 LYS HB3 H 1 1.464 0.013 . 2 . . . A 80 LYS HB3 . 19849 1 683 . 1 1 80 80 LYS HG2 H 1 0.867 0.016 . 1 . . . A 80 LYS HG2 . 19849 1 684 . 1 1 80 80 LYS CA C 13 53.038 0.000 . 1 . . . A 80 LYS CA . 19849 1 685 . 1 1 80 80 LYS N N 15 120.883 0.057 . 1 . . . A 80 LYS N . 19849 1 686 . 1 1 82 82 PRO C C 13 176.919 0.000 . 1 . . . A 82 PRO C . 19849 1 687 . 1 1 82 82 PRO CA C 13 62.940 0.040 . 1 . . . A 82 PRO CA . 19849 1 688 . 1 1 82 82 PRO CB C 13 32.026 0.000 . 1 . . . A 82 PRO CB . 19849 1 689 . 1 1 83 83 SER H H 1 8.264 0.023 . 1 . . . A 83 SER H . 19849 1 690 . 1 1 83 83 SER HA H 1 4.315 0.020 . 1 . . . A 83 SER HA . 19849 1 691 . 1 1 83 83 SER HB3 H 1 3.773 0.000 . 1 . . . A 83 SER HB3 . 19849 1 692 . 1 1 83 83 SER C C 13 174.665 0.000 . 1 . . . A 83 SER C . 19849 1 693 . 1 1 83 83 SER CA C 13 58.162 0.010 . 1 . . . A 83 SER CA . 19849 1 694 . 1 1 83 83 SER CB C 13 63.831 0.000 . 1 . . . A 83 SER CB . 19849 1 695 . 1 1 83 83 SER N N 15 115.592 0.018 . 1 . . . A 83 SER N . 19849 1 696 . 1 1 84 84 GLN H H 1 8.430 0.024 . 1 . . . A 84 GLN H . 19849 1 697 . 1 1 84 84 GLN HA H 1 4.289 0.010 . 1 . . . A 84 GLN HA . 19849 1 698 . 1 1 84 84 GLN HB2 H 1 1.887 0.012 . 2 . . . A 84 GLN HB2 . 19849 1 699 . 1 1 84 84 GLN HB3 H 1 2.047 0.009 . 2 . . . A 84 GLN HB3 . 19849 1 700 . 1 1 84 84 GLN HG3 H 1 2.278 0.011 . 1 . . . A 84 GLN HG3 . 19849 1 701 . 1 1 84 84 GLN HE21 H 1 7.500 0.015 . 1 . . . A 84 GLN HE21 . 19849 1 702 . 1 1 84 84 GLN HE22 H 1 6.809 0.012 . 1 . . . A 84 GLN HE22 . 19849 1 703 . 1 1 84 84 GLN C C 13 175.598 0.000 . 1 . . . A 84 GLN C . 19849 1 704 . 1 1 84 84 GLN CA C 13 55.851 0.033 . 1 . . . A 84 GLN CA . 19849 1 705 . 1 1 84 84 GLN CB C 13 29.619 0.000 . 1 . . . A 84 GLN CB . 19849 1 706 . 1 1 84 84 GLN N N 15 122.131 0.034 . 1 . . . A 84 GLN N . 19849 1 707 . 1 1 84 84 GLN NE2 N 15 112.463 0.081 . 1 . . . A 84 GLN NE2 . 19849 1 708 . 1 1 85 85 ASP H H 1 8.307 0.026 . 1 . . . A 85 ASP H . 19849 1 709 . 1 1 85 85 ASP HA H 1 4.534 0.001 . 1 . . . A 85 ASP HA . 19849 1 710 . 1 1 85 85 ASP HB2 H 1 2.644 0.000 . 2 . . . A 85 ASP HB2 . 19849 1 711 . 1 1 85 85 ASP HB3 H 1 2.550 0.000 . 2 . . . A 85 ASP HB3 . 19849 1 712 . 1 1 85 85 ASP C C 13 176.431 0.000 . 1 . . . A 85 ASP C . 19849 1 713 . 1 1 85 85 ASP CA C 13 54.424 0.033 . 1 . . . A 85 ASP CA . 19849 1 714 . 1 1 85 85 ASP CB C 13 41.270 0.000 . 1 . . . A 85 ASP CB . 19849 1 715 . 1 1 85 85 ASP N N 15 121.550 0.033 . 1 . . . A 85 ASP N . 19849 1 716 . 1 1 86 86 SER H H 1 8.231 0.023 . 1 . . . A 86 SER H . 19849 1 717 . 1 1 86 86 SER HA H 1 4.316 0.023 . 1 . . . A 86 SER HA . 19849 1 718 . 1 1 86 86 SER HB3 H 1 3.819 0.006 . 1 . . . A 86 SER HB3 . 19849 1 719 . 1 1 86 86 SER C C 13 174.590 0.000 . 1 . . . A 86 SER C . 19849 1 720 . 1 1 86 86 SER CA C 13 58.797 0.046 . 1 . . . A 86 SER CA . 19849 1 721 . 1 1 86 86 SER CB C 13 63.667 0.000 . 1 . . . A 86 SER CB . 19849 1 722 . 1 1 86 86 SER N N 15 116.617 0.036 . 1 . . . A 86 SER N . 19849 1 723 . 1 1 87 87 ALA H H 1 8.312 0.024 . 1 . . . A 87 ALA H . 19849 1 724 . 1 1 87 87 ALA HA H 1 4.290 0.019 . 1 . . . A 87 ALA HA . 19849 1 725 . 1 1 87 87 ALA HB1 H 1 1.360 0.010 . 1 . . . A 87 ALA HB1 . 19849 1 726 . 1 1 87 87 ALA HB2 H 1 1.360 0.010 . 1 . . . A 87 ALA HB2 . 19849 1 727 . 1 1 87 87 ALA HB3 H 1 1.360 0.010 . 1 . . . A 87 ALA HB3 . 19849 1 728 . 1 1 87 87 ALA C C 13 178.018 0.000 . 1 . . . A 87 ALA C . 19849 1 729 . 1 1 87 87 ALA CA C 13 52.952 0.053 . 1 . . . A 87 ALA CA . 19849 1 730 . 1 1 87 87 ALA CB C 13 19.117 0.000 . 1 . . . A 87 ALA CB . 19849 1 731 . 1 1 87 87 ALA N N 15 125.663 0.056 . 1 . . . A 87 ALA N . 19849 1 732 . 1 1 88 88 THR H H 1 7.997 0.023 . 1 . . . A 88 THR H . 19849 1 733 . 1 1 88 88 THR HA H 1 4.221 0.014 . 1 . . . A 88 THR HA . 19849 1 734 . 1 1 88 88 THR HB H 1 4.100 0.000 . 1 . . . A 88 THR HB . 19849 1 735 . 1 1 88 88 THR HG1 H 1 1.128 0.000 . 1 . . . A 88 THR HG1 . 19849 1 736 . 1 1 88 88 THR HG21 H 1 1.140 0.000 . 1 . . . A 88 THR HG21 . 19849 1 737 . 1 1 88 88 THR HG22 H 1 1.140 0.000 . 1 . . . A 88 THR HG22 . 19849 1 738 . 1 1 88 88 THR HG23 H 1 1.140 0.000 . 1 . . . A 88 THR HG23 . 19849 1 739 . 1 1 88 88 THR C C 13 174.488 0.000 . 1 . . . A 88 THR C . 19849 1 740 . 1 1 88 88 THR CA C 13 62.115 0.064 . 1 . . . A 88 THR CA . 19849 1 741 . 1 1 88 88 THR CB C 13 69.626 0.000 . 1 . . . A 88 THR CB . 19849 1 742 . 1 1 88 88 THR N N 15 112.987 0.046 . 1 . . . A 88 THR N . 19849 1 743 . 1 1 89 89 LEU H H 1 8.119 0.025 . 1 . . . A 89 LEU H . 19849 1 744 . 1 1 89 89 LEU HA H 1 4.356 0.011 . 1 . . . A 89 LEU HA . 19849 1 745 . 1 1 89 89 LEU HB3 H 1 1.502 0.000 . 1 . . . A 89 LEU HB3 . 19849 1 746 . 1 1 89 89 LEU HG H 1 0.821 0.002 . 1 . . . A 89 LEU HG . 19849 1 747 . 1 1 89 89 LEU C C 13 177.367 0.000 . 1 . . . A 89 LEU C . 19849 1 748 . 1 1 89 89 LEU CA C 13 55.263 0.056 . 1 . . . A 89 LEU CA . 19849 1 749 . 1 1 89 89 LEU CB C 13 42.492 0.000 . 1 . . . A 89 LEU CB . 19849 1 750 . 1 1 89 89 LEU N N 15 124.655 0.041 . 1 . . . A 89 LEU N . 19849 1 751 . 1 1 90 90 THR H H 1 8.086 0.024 . 1 . . . A 90 THR H . 19849 1 752 . 1 1 90 90 THR HA H 1 4.261 0.015 . 1 . . . A 90 THR HA . 19849 1 753 . 1 1 90 90 THR HB H 1 4.025 0.000 . 1 . . . A 90 THR HB . 19849 1 754 . 1 1 90 90 THR HG21 H 1 1.129 0.014 . 1 . . . A 90 THR HG1 . 19849 1 755 . 1 1 90 90 THR HG22 H 1 1.129 0.014 . 1 . . . A 90 THR HG1 . 19849 1 756 . 1 1 90 90 THR HG23 H 1 1.129 0.014 . 1 . . . A 90 THR HG1 . 19849 1 757 . 1 1 90 90 THR CA C 13 61.707 0.023 . 1 . . . A 90 THR CA . 19849 1 758 . 1 1 90 90 THR CB C 13 69.825 0.000 . 1 . . . A 90 THR CB . 19849 1 759 . 1 1 90 90 THR N N 15 115.527 0.049 . 1 . . . A 90 THR N . 19849 1 760 . 1 1 91 91 LYS H H 1 8.272 0.028 . 1 . . . A 91 LYS H . 19849 1 761 . 1 1 91 91 LYS HA H 1 4.293 0.000 . 1 . . . A 91 LYS HA . 19849 1 762 . 1 1 91 91 LYS HB2 H 1 1.697 0.000 . 2 . . . A 91 LYS HB2 . 19849 1 763 . 1 1 91 91 LYS HB3 H 1 1.781 0.000 . 2 . . . A 91 LYS HB3 . 19849 1 764 . 1 1 91 91 LYS HG2 H 1 1.352 0.000 . 1 . . . A 91 LYS HG2 . 19849 1 765 . 1 1 91 91 LYS HD3 H 1 1.603 0.001 . 1 . . . A 91 LYS HD3 . 19849 1 766 . 1 1 91 91 LYS C C 13 175.949 0.000 . 1 . . . A 91 LYS C . 19849 1 767 . 1 1 91 91 LYS CA C 13 56.164 0.025 . 1 . . . A 91 LYS CA . 19849 1 768 . 1 1 91 91 LYS CB C 13 33.259 0.000 . 1 . . . A 91 LYS CB . 19849 1 769 . 1 1 91 91 LYS N N 15 123.923 0.176 . 1 . . . A 91 LYS N . 19849 1 770 . 1 1 92 92 ASP H H 1 8.340 0.027 . 1 . . . A 92 ASP H . 19849 1 771 . 1 1 92 92 ASP HA H 1 4.510 0.017 . 1 . . . A 92 ASP HA . 19849 1 772 . 1 1 92 92 ASP HB2 H 1 2.663 0.000 . 2 . . . A 92 ASP HB2 . 19849 1 773 . 1 1 92 92 ASP HB3 H 1 2.518 0.017 . 2 . . . A 92 ASP HB3 . 19849 1 774 . 1 1 92 92 ASP C C 13 174.733 0.000 . 1 . . . A 92 ASP C . 19849 1 775 . 1 1 92 92 ASP CA C 13 54.535 0.031 . 1 . . . A 92 ASP CA . 19849 1 776 . 1 1 92 92 ASP CB C 13 41.111 0.000 . 1 . . . A 92 ASP CB . 19849 1 777 . 1 1 92 92 ASP N N 15 122.237 0.034 . 1 . . . A 92 ASP N . 19849 1 778 . 1 1 93 93 ALA H H 1 7.774 0.026 . 1 . . . A 93 ALA H . 19849 1 779 . 1 1 93 93 ALA HA H 1 4.029 0.001 . 1 . . . A 93 ALA HA . 19849 1 780 . 1 1 93 93 ALA HB1 H 1 1.240 0.000 . 1 . . . A 93 ALA HB1 . 19849 1 781 . 1 1 93 93 ALA HB2 H 1 1.240 0.000 . 1 . . . A 93 ALA HB2 . 19849 1 782 . 1 1 93 93 ALA HB3 H 1 1.240 0.000 . 1 . . . A 93 ALA HB3 . 19849 1 783 . 1 1 93 93 ALA CA C 13 53.789 0.000 . 1 . . . A 93 ALA CA . 19849 1 784 . 1 1 93 93 ALA N N 15 129.167 0.031 . 1 . . . A 93 ALA N . 19849 1 stop_ save_