data_16153 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16153 _Entry.Title ; Structure of the transcription repressor SvtR08 (gp08) from the hyperthermophilic archaeal virus SIRV1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-30 _Entry.Accession_date 2009-01-30 _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 Florence Guilliere . . . 16153 2 Alexandra Kessler . . . 16153 3 Nuno Peixeiro . . . 16153 4 Guennadi Sezonov . . . 16153 5 David Prangishvili . . . 16153 6 Muriel Delepierre . . . 16153 7 'J. Inaki' Guijarro . I. . 16153 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 . 'not applicable' 'not applicable' . 16153 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HOMODIMER . 16153 PROTEIN . 16153 RIBBON-HELIX-HELIX . 16153 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16153 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 261 16153 '15N chemical shifts' 64 16153 '1H chemical shifts' 425 16153 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 3 . . 2010-06-02 2009-01-30 update BMRB 'edit assembly name' 16153 2 . . 2009-08-28 2009-01-30 update BMRB 'complete entry citation' 16153 1 . . 2009-06-26 2009-01-30 original author 'original release' 16153 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KEL 'BMRB Entry Tracking System' 16153 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16153 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19535331 _Citation.Full_citation . _Citation.Title 'Structure, function and targets of the transcriptional regulator SvtR from the hyperthermophilic archaeal virus SIRV1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 284 _Citation.Journal_issue 33 _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 22222 _Citation.Page_last 22237 _Citation.Year 2009 _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 Florence Guilliere . . . 16153 1 2 Nuno Peixeiro . . . 16153 1 3 Alexandra Kessler . . . 16153 1 4 Bertrand Raynal . . . 16153 1 5 Nicole Desnoues . . . 16153 1 6 Jenny Keller . . . 16153 1 7 Muriel Delepierre . . . 16153 1 8 David Prangishvili . . . 16153 1 9 Guennadi Sezonov . . . 16153 1 10 'J. Inaki' Guijarro . . . 16153 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16153 _Assembly.ID 1 _Assembly.Name SvtR08 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity_1 1 $svtr08 A . yes native no no . . . 16153 1 2 entity_2 1 $svtr08 B . yes native no no . . . 16153 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_svtr08 _Entity.Sf_category entity _Entity.Sf_framecode svtr08 _Entity.Entry_ID 16153 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name svtr08 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQTQEQSQKKKQKAVFGIYM DKDLKTRLKVYCAKNNLQLT QAIEEAIKEYLQKRNG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-12 are disordered. Only coordinates for residues 11-56 are included. Final structures were calculated with data for residues 11-56' _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 56 _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 6620.74 _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 2KEL . "Structure Of The Transcription Regulator Svtr From The Hyperthermophilic Archaeal Virus Sirv1" . . . . . 100.00 56 100.00 100.00 2.75e-30 . . . . 16153 1 2 no EMBL CAC93963 . "hypothetical protein [Sulfolobus islandicus rod-shaped virus 1]" . . . . . 100.00 56 100.00 100.00 2.75e-30 . . . . 16153 1 3 no EMBL CAG38828 . "hypothetical protein [Sulfolobus islandicus rudivirus 1 variant XX]" . . . . . 100.00 56 100.00 100.00 2.75e-30 . . . . 16153 1 4 no REF NP_666596 . "hypothetical protein SIRV1gp08 [Sulfolobus islandicus rod-shaped virus 1]" . . . . . 100.00 56 100.00 100.00 2.75e-30 . . . . 16153 1 5 no SP Q8QL46 . "RecName: Full=Uncharacterized protein 56B" . . . . . 100.00 56 100.00 100.00 2.75e-30 . . . . 16153 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcription repressor' 16153 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 . 16153 1 2 . GLN . 16153 1 3 . THR . 16153 1 4 . GLN . 16153 1 5 . GLU . 16153 1 6 . GLN . 16153 1 7 . SER . 16153 1 8 . GLN . 16153 1 9 . LYS . 16153 1 10 . LYS . 16153 1 11 . LYS . 16153 1 12 . GLN . 16153 1 13 . LYS . 16153 1 14 . ALA . 16153 1 15 . VAL . 16153 1 16 . PHE . 16153 1 17 . GLY . 16153 1 18 . ILE . 16153 1 19 . TYR . 16153 1 20 . MET . 16153 1 21 . ASP . 16153 1 22 . LYS . 16153 1 23 . ASP . 16153 1 24 . LEU . 16153 1 25 . LYS . 16153 1 26 . THR . 16153 1 27 . ARG . 16153 1 28 . LEU . 16153 1 29 . LYS . 16153 1 30 . VAL . 16153 1 31 . TYR . 16153 1 32 . CYS . 16153 1 33 . ALA . 16153 1 34 . LYS . 16153 1 35 . ASN . 16153 1 36 . ASN . 16153 1 37 . LEU . 16153 1 38 . GLN . 16153 1 39 . LEU . 16153 1 40 . THR . 16153 1 41 . GLN . 16153 1 42 . ALA . 16153 1 43 . ILE . 16153 1 44 . GLU . 16153 1 45 . GLU . 16153 1 46 . ALA . 16153 1 47 . ILE . 16153 1 48 . LYS . 16153 1 49 . GLU . 16153 1 50 . TYR . 16153 1 51 . LEU . 16153 1 52 . GLN . 16153 1 53 . LYS . 16153 1 54 . ARG . 16153 1 55 . ASN . 16153 1 56 . GLY . 16153 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 16153 1 . GLN 2 2 16153 1 . THR 3 3 16153 1 . GLN 4 4 16153 1 . GLU 5 5 16153 1 . GLN 6 6 16153 1 . SER 7 7 16153 1 . GLN 8 8 16153 1 . LYS 9 9 16153 1 . LYS 10 10 16153 1 . LYS 11 11 16153 1 . GLN 12 12 16153 1 . LYS 13 13 16153 1 . ALA 14 14 16153 1 . VAL 15 15 16153 1 . PHE 16 16 16153 1 . GLY 17 17 16153 1 . ILE 18 18 16153 1 . TYR 19 19 16153 1 . MET 20 20 16153 1 . ASP 21 21 16153 1 . LYS 22 22 16153 1 . ASP 23 23 16153 1 . LEU 24 24 16153 1 . LYS 25 25 16153 1 . THR 26 26 16153 1 . ARG 27 27 16153 1 . LEU 28 28 16153 1 . LYS 29 29 16153 1 . VAL 30 30 16153 1 . TYR 31 31 16153 1 . CYS 32 32 16153 1 . ALA 33 33 16153 1 . LYS 34 34 16153 1 . ASN 35 35 16153 1 . ASN 36 36 16153 1 . LEU 37 37 16153 1 . GLN 38 38 16153 1 . LEU 39 39 16153 1 . THR 40 40 16153 1 . GLN 41 41 16153 1 . ALA 42 42 16153 1 . ILE 43 43 16153 1 . GLU 44 44 16153 1 . GLU 45 45 16153 1 . ALA 46 46 16153 1 . ILE 47 47 16153 1 . LYS 48 48 16153 1 . GLU 49 49 16153 1 . TYR 50 50 16153 1 . LEU 51 51 16153 1 . GLN 52 52 16153 1 . LYS 53 53 16153 1 . ARG 54 54 16153 1 . ASN 55 55 16153 1 . GLY 56 56 16153 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 16153 _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 $svtr08 . 157898 virus . 'Sulfolobus virus SIRV1' 'Sulfolobus virus SIRV1' . 00.083.0.01.001 . . . . . . . . . . . . . . . . . . . . gp08 . 'Variant VIII' . . 16153 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 16153 _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 $svtr08 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pET30a . . . . . . 16153 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16153 _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 svtr08 'natural abundance' . . 1 $svtr08 . . 1.6 . . mM . . . . 16153 1 2 'sodium acetate' [U-2H] . . . . . . 20 . . mM . . . . 16153 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16153 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16153 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16153 _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 svtr08 'natural abundance' . . 1 $svtr08 . . 1.2 . . mM . . . . 16153 2 2 'sodium acetate' [U-2H] . . . . . . 20 . . mM . . . . 16153 2 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16153 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16153 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '88% H2O/12% 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 svtr08 '[U-98% 13C; U-98% 15N]' . . 1 $svtr08 . . 1.5 . . mM . . . . 16153 3 2 'sodium acetate' [U-2H] . . . . . . 20 . . mM . . . . 16153 3 3 D2O 'natural abundance' . . . . . . 12 . . % . . . . 16153 3 4 H2O 'natural abundance' . . . . . . 88 . . % . . . . 16153 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16153 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '88% H2O/12% 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 svtr08 '50%[U-98% 13C; U-98% 15N]; 50% natural abundance' . . 1 $svtr08 . . 2.9 . . mM . . . . 16153 4 2 'sodium acetate' [U-2H] . . . . . . 20 . . mM . . . . 16153 4 3 D2O 'natural abundance' . . . . . . 12 . . % . . . . 16153 4 4 H2O 'natural abundance' . . . . . . 88 . . % . . . . 16153 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 16153 _Sample.ID 5 _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 svtr08 '[U-98% 15N]' . . 1 $svtr08 . . 1.7 . . mM . . . . 16153 5 2 'sodium acetate' [U-2H] . . . . . . 20 . . mM . . . . 16153 5 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16153 5 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16153 5 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 16153 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 16153 1 pressure 1.0 . atm 16153 1 temperature 298 . K 16153 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16153 _Software.ID 1 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16153 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'nOe assignment' 16153 1 'structure solution' 16153 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16153 _Software.ID 2 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16153 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16153 2 'structure solution' 16153 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16153 _Software.ID 3 _Software.Name VNMRJ _Software.Version 2.1B _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16153 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16153 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16153 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16153 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16153 4 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16153 _Software.ID 5 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16153 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16153 5 'data analysis' 16153 5 'peak picking' 16153 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16153 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version 3.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16153 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16153 6 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 16153 _Software.ID 7 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 16153 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16153 7 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 16153 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16153 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16153 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'Equipped with a cryoprobe' . . 16153 1 2 spectrometer_2 Varian INOVA . 500 . . . 16153 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 16153 _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-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16153 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16153 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16153 1 4 '3D DOUBLY-FILTERED 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16153 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16153 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 16153 _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 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 16153 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 16153 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 16153 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 16153 _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 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _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-1H NOESY' . . . 16153 1 2 '2D 1H-1H NOESY' . . . 16153 1 3 '3D 1H-13C NOESY' . . . 16153 1 4 '3D DOUBLY-FILTERED 1H-13C NOESY' . . . 16153 1 5 '3D 1H-15N NOESY' . . . 16153 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN HA H 1 4.493 0.02 . 1 . . . . 2 GLN HA . 16153 1 2 . 1 1 2 2 GLN HB2 H 1 1.994 0.02 . 2 . . . . 2 GLN HB2 . 16153 1 3 . 1 1 2 2 GLN HB3 H 1 2.104 0.02 . 2 . . . . 2 GLN HB3 . 16153 1 4 . 1 1 2 2 GLN HE21 H 1 6.853 0.02 . 1 . . . . 2 GLN HE21 . 16153 1 5 . 1 1 2 2 GLN HE22 H 1 7.546 0.02 . 1 . . . . 2 GLN HE22 . 16153 1 6 . 1 1 2 2 GLN HG2 H 1 2.356 0.02 . 1 . . . . 2 GLN HG2 . 16153 1 7 . 1 1 2 2 GLN HG3 H 1 2.356 0.02 . 1 . . . . 2 GLN HG3 . 16153 1 8 . 1 1 2 2 GLN C C 13 175.800 0.4 . 1 . . . . 2 GLN C . 16153 1 9 . 1 1 2 2 GLN CA C 13 55.900 0.4 . 1 . . . . 2 GLN CA . 16153 1 10 . 1 1 2 2 GLN CB C 13 29.780 0.4 . 1 . . . . 2 GLN CB . 16153 1 11 . 1 1 2 2 GLN CG C 13 33.743 0.4 . 1 . . . . 2 GLN CG . 16153 1 12 . 1 1 2 2 GLN NE2 N 15 112.299 0.25 . 1 . . . . 2 GLN NE2 . 16153 1 13 . 1 1 3 3 THR H H 1 8.411 0.02 . 1 . . . . 3 THR H . 16153 1 14 . 1 1 3 3 THR HA H 1 4.310 0.02 . 1 . . . . 3 THR HA . 16153 1 15 . 1 1 3 3 THR HB H 1 4.263 0.02 . 1 . . . . 3 THR HB . 16153 1 16 . 1 1 3 3 THR HG21 H 1 1.209 0.02 . 1 . . . . 3 THR HG2 . 16153 1 17 . 1 1 3 3 THR HG22 H 1 1.209 0.02 . 1 . . . . 3 THR HG2 . 16153 1 18 . 1 1 3 3 THR HG23 H 1 1.209 0.02 . 1 . . . . 3 THR HG2 . 16153 1 19 . 1 1 3 3 THR C C 13 174.600 0.4 . 1 . . . . 3 THR C . 16153 1 20 . 1 1 3 3 THR CA C 13 62.010 0.4 . 1 . . . . 3 THR CA . 16153 1 21 . 1 1 3 3 THR CB C 13 69.860 0.4 . 1 . . . . 3 THR CB . 16153 1 22 . 1 1 3 3 THR CG2 C 13 21.751 0.4 . 1 . . . . 3 THR CG2 . 16153 1 23 . 1 1 3 3 THR N N 15 116.856 0.25 . 1 . . . . 3 THR N . 16153 1 24 . 1 1 4 4 GLN H H 1 8.590 0.02 . 1 . . . . 4 GLN H . 16153 1 25 . 1 1 4 4 GLN HA H 1 4.315 0.02 . 1 . . . . 4 GLN HA . 16153 1 26 . 1 1 4 4 GLN HB2 H 1 1.994 0.02 . 2 . . . . 4 GLN HB2 . 16153 1 27 . 1 1 4 4 GLN HB3 H 1 2.090 0.02 . 2 . . . . 4 GLN HB3 . 16153 1 28 . 1 1 4 4 GLN HG2 H 1 2.360 0.02 . 1 . . . . 4 GLN HG2 . 16153 1 29 . 1 1 4 4 GLN HG3 H 1 2.360 0.02 . 1 . . . . 4 GLN HG3 . 16153 1 30 . 1 1 4 4 GLN C C 13 176.300 0.4 . 1 . . . . 4 GLN C . 16153 1 31 . 1 1 4 4 GLN CA C 13 56.340 0.4 . 1 . . . . 4 GLN CA . 16153 1 32 . 1 1 4 4 GLN CB C 13 29.310 0.4 . 1 . . . . 4 GLN CB . 16153 1 33 . 1 1 4 4 GLN CG C 13 33.738 0.4 . 1 . . . . 4 GLN CG . 16153 1 34 . 1 1 4 4 GLN N N 15 122.680 0.25 . 1 . . . . 4 GLN N . 16153 1 35 . 1 1 5 5 GLU H H 1 8.508 0.02 . 1 . . . . 5 GLU H . 16153 1 36 . 1 1 5 5 GLU HA H 1 4.202 0.02 . 1 . . . . 5 GLU HA . 16153 1 37 . 1 1 5 5 GLU HB2 H 1 1.965 0.02 . 2 . . . . 5 GLU HB2 . 16153 1 38 . 1 1 5 5 GLU HB3 H 1 2.010 0.02 . 2 . . . . 5 GLU HB3 . 16153 1 39 . 1 1 5 5 GLU HG2 H 1 2.255 0.02 . 1 . . . . 5 GLU HG2 . 16153 1 40 . 1 1 5 5 GLU HG3 H 1 2.255 0.02 . 1 . . . . 5 GLU HG3 . 16153 1 41 . 1 1 5 5 GLU C C 13 177.100 0.4 . 1 . . . . 5 GLU C . 16153 1 42 . 1 1 5 5 GLU CA C 13 57.290 0.4 . 1 . . . . 5 GLU CA . 16153 1 43 . 1 1 5 5 GLU CB C 13 30.110 0.4 . 1 . . . . 5 GLU CB . 16153 1 44 . 1 1 5 5 GLU CG C 13 36.154 0.4 . 1 . . . . 5 GLU CG . 16153 1 45 . 1 1 5 5 GLU N N 15 122.461 0.25 . 1 . . . . 5 GLU N . 16153 1 46 . 1 1 6 6 GLN H H 1 8.426 0.02 . 1 . . . . 6 GLN H . 16153 1 47 . 1 1 6 6 GLN HA H 1 4.271 0.02 . 1 . . . . 6 GLN HA . 16153 1 48 . 1 1 6 6 GLN HB2 H 1 2.018 0.02 . 2 . . . . 6 GLN HB2 . 16153 1 49 . 1 1 6 6 GLN HB3 H 1 2.117 0.02 . 2 . . . . 6 GLN HB3 . 16153 1 50 . 1 1 6 6 GLN HG2 H 1 2.388 0.02 . 1 . . . . 6 GLN HG2 . 16153 1 51 . 1 1 6 6 GLN HG3 H 1 2.388 0.02 . 1 . . . . 6 GLN HG3 . 16153 1 52 . 1 1 6 6 GLN C C 13 176.700 0.4 . 1 . . . . 6 GLN C . 16153 1 53 . 1 1 6 6 GLN CA C 13 56.520 0.4 . 1 . . . . 6 GLN CA . 16153 1 54 . 1 1 6 6 GLN CB C 13 29.180 0.4 . 1 . . . . 6 GLN CB . 16153 1 55 . 1 1 6 6 GLN CG C 13 33.817 0.4 . 1 . . . . 6 GLN CG . 16153 1 56 . 1 1 6 6 GLN N N 15 121.281 0.25 . 1 . . . . 6 GLN N . 16153 1 57 . 1 1 7 7 SER H H 1 8.320 0.02 . 1 . . . . 7 SER H . 16153 1 58 . 1 1 7 7 SER HA H 1 4.331 0.02 . 1 . . . . 7 SER HA . 16153 1 59 . 1 1 7 7 SER HB2 H 1 3.869 0.02 . 2 . . . . 7 SER HB2 . 16153 1 60 . 1 1 7 7 SER HB3 H 1 3.895 0.02 . 2 . . . . 7 SER HB3 . 16153 1 61 . 1 1 7 7 SER C C 13 175.100 0.4 . 1 . . . . 7 SER C . 16153 1 62 . 1 1 7 7 SER CA C 13 59.150 0.4 . 1 . . . . 7 SER CA . 16153 1 63 . 1 1 7 7 SER CB C 13 63.490 0.4 . 1 . . . . 7 SER CB . 16153 1 64 . 1 1 7 7 SER N N 15 116.400 0.25 . 1 . . . . 7 SER N . 16153 1 65 . 1 1 8 8 GLN H H 1 8.328 0.02 . 1 . . . . 8 GLN H . 16153 1 66 . 1 1 8 8 GLN HA H 1 4.278 0.02 . 1 . . . . 8 GLN HA . 16153 1 67 . 1 1 8 8 GLN HB2 H 1 1.973 0.02 . 2 . . . . 8 GLN HB2 . 16153 1 68 . 1 1 8 8 GLN HB3 H 1 2.098 0.02 . 2 . . . . 8 GLN HB3 . 16153 1 69 . 1 1 8 8 GLN HE21 H 1 6.912 0.02 . 1 . . . . 8 GLN HE21 . 16153 1 70 . 1 1 8 8 GLN HE22 H 1 7.599 0.02 . 1 . . . . 8 GLN HE22 . 16153 1 71 . 1 1 8 8 GLN HG2 H 1 2.373 0.02 . 1 . . . . 8 GLN HG2 . 16153 1 72 . 1 1 8 8 GLN HG3 H 1 2.373 0.02 . 1 . . . . 8 GLN HG3 . 16153 1 73 . 1 1 8 8 GLN C C 13 176.150 0.4 . 1 . . . . 8 GLN C . 16153 1 74 . 1 1 8 8 GLN CA C 13 56.392 0.4 . 1 . . . . 8 GLN CA . 16153 1 75 . 1 1 8 8 GLN CB C 13 29.084 0.4 . 1 . . . . 8 GLN CB . 16153 1 76 . 1 1 8 8 GLN CG C 13 33.734 0.4 . 1 . . . . 8 GLN CG . 16153 1 77 . 1 1 8 8 GLN N N 15 121.734 0.25 . 1 . . . . 8 GLN N . 16153 1 78 . 1 1 8 8 GLN NE2 N 15 112.636 0.25 . 1 . . . . 8 GLN NE2 . 16153 1 79 . 1 1 9 9 LYS H H 1 8.132 0.02 . 1 . . . . 9 LYS H . 16153 1 80 . 1 1 9 9 LYS HA H 1 4.220 0.02 . 1 . . . . 9 LYS HA . 16153 1 81 . 1 1 9 9 LYS HB2 H 1 1.739 0.02 . 2 . . . . 9 LYS HB2 . 16153 1 82 . 1 1 9 9 LYS HB3 H 1 1.820 0.02 . 2 . . . . 9 LYS HB3 . 16153 1 83 . 1 1 9 9 LYS HD2 H 1 1.653 0.02 . 1 . . . . 9 LYS HD2 . 16153 1 84 . 1 1 9 9 LYS HD3 H 1 1.653 0.02 . 1 . . . . 9 LYS HD3 . 16153 1 85 . 1 1 9 9 LYS HE2 H 1 2.946 0.02 . 1 . . . . 9 LYS HE2 . 16153 1 86 . 1 1 9 9 LYS HE3 H 1 2.946 0.02 . 1 . . . . 9 LYS HE3 . 16153 1 87 . 1 1 9 9 LYS HG2 H 1 1.415 0.02 . 1 . . . . 9 LYS HG2 . 16153 1 88 . 1 1 9 9 LYS HG3 H 1 1.415 0.02 . 1 . . . . 9 LYS HG3 . 16153 1 89 . 1 1 9 9 LYS C C 13 176.600 0.4 . 1 . . . . 9 LYS C . 16153 1 90 . 1 1 9 9 LYS CA C 13 56.520 0.4 . 1 . . . . 9 LYS CA . 16153 1 91 . 1 1 9 9 LYS CB C 13 32.850 0.4 . 1 . . . . 9 LYS CB . 16153 1 92 . 1 1 9 9 LYS CD C 13 29.112 0.4 . 1 . . . . 9 LYS CD . 16153 1 93 . 1 1 9 9 LYS CE C 13 42.109 0.4 . 1 . . . . 9 LYS CE . 16153 1 94 . 1 1 9 9 LYS CG C 13 24.958 0.4 . 1 . . . . 9 LYS CG . 16153 1 95 . 1 1 9 9 LYS N N 15 121.479 0.25 . 1 . . . . 9 LYS N . 16153 1 96 . 1 1 10 10 LYS H H 1 8.242 0.02 . 1 . . . . 10 LYS H . 16153 1 97 . 1 1 10 10 LYS HA H 1 4.296 0.02 . 1 . . . . 10 LYS HA . 16153 1 98 . 1 1 10 10 LYS HB2 H 1 1.744 0.02 . 2 . . . . 10 LYS HB2 . 16153 1 99 . 1 1 10 10 LYS HB3 H 1 1.830 0.02 . 2 . . . . 10 LYS HB3 . 16153 1 100 . 1 1 10 10 LYS HD2 H 1 1.687 0.02 . 1 . . . . 10 LYS HD2 . 16153 1 101 . 1 1 10 10 LYS HD3 H 1 1.687 0.02 . 1 . . . . 10 LYS HD3 . 16153 1 102 . 1 1 10 10 LYS HE2 H 1 2.968 0.02 . 1 . . . . 10 LYS HE2 . 16153 1 103 . 1 1 10 10 LYS HE3 H 1 2.968 0.02 . 1 . . . . 10 LYS HE3 . 16153 1 104 . 1 1 10 10 LYS HG2 H 1 1.412 0.02 . 1 . . . . 10 LYS HG2 . 16153 1 105 . 1 1 10 10 LYS HG3 H 1 1.412 0.02 . 1 . . . . 10 LYS HG3 . 16153 1 106 . 1 1 10 10 LYS C C 13 176.500 0.4 . 1 . . . . 10 LYS C . 16153 1 107 . 1 1 10 10 LYS CA C 13 56.350 0.4 . 1 . . . . 10 LYS CA . 16153 1 108 . 1 1 10 10 LYS CB C 13 32.930 0.4 . 1 . . . . 10 LYS CB . 16153 1 109 . 1 1 10 10 LYS CD C 13 29.050 0.4 . 1 . . . . 10 LYS CD . 16153 1 110 . 1 1 10 10 LYS CE C 13 42.450 0.4 . 1 . . . . 10 LYS CE . 16153 1 111 . 1 1 10 10 LYS CG C 13 24.991 0.4 . 1 . . . . 10 LYS CG . 16153 1 112 . 1 1 10 10 LYS N N 15 122.114 0.25 . 1 . . . . 10 LYS N . 16153 1 113 . 1 1 11 11 LYS H H 1 8.443 0.02 . 1 . . . . 11 LYS H . 16153 1 114 . 1 1 11 11 LYS HA H 1 4.291 0.02 . 1 . . . . 11 LYS HA . 16153 1 115 . 1 1 11 11 LYS HB2 H 1 1.745 0.02 . 2 . . . . 11 LYS HB2 . 16153 1 116 . 1 1 11 11 LYS HB3 H 1 1.790 0.02 . 2 . . . . 11 LYS HB3 . 16153 1 117 . 1 1 11 11 LYS HD2 H 1 1.641 0.02 . 1 . . . . 11 LYS HD2 . 16153 1 118 . 1 1 11 11 LYS HD3 H 1 1.641 0.02 . 1 . . . . 11 LYS HD3 . 16153 1 119 . 1 1 11 11 LYS HE2 H 1 2.955 0.02 . 1 . . . . 11 LYS HE2 . 16153 1 120 . 1 1 11 11 LYS HE3 H 1 2.955 0.02 . 1 . . . . 11 LYS HE3 . 16153 1 121 . 1 1 11 11 LYS HG2 H 1 1.408 0.02 . 1 . . . . 11 LYS HG2 . 16153 1 122 . 1 1 11 11 LYS HG3 H 1 1.408 0.02 . 1 . . . . 11 LYS HG3 . 16153 1 123 . 1 1 11 11 LYS C C 13 176.800 0.4 . 1 . . . . 11 LYS C . 16153 1 124 . 1 1 11 11 LYS CA C 13 56.713 0.4 . 1 . . . . 11 LYS CA . 16153 1 125 . 1 1 11 11 LYS CB C 13 32.724 0.4 . 1 . . . . 11 LYS CB . 16153 1 126 . 1 1 11 11 LYS CD C 13 29.038 0.4 . 1 . . . . 11 LYS CD . 16153 1 127 . 1 1 11 11 LYS CE C 13 41.991 0.4 . 1 . . . . 11 LYS CE . 16153 1 128 . 1 1 11 11 LYS CG C 13 25.014 0.4 . 1 . . . . 11 LYS CG . 16153 1 129 . 1 1 11 11 LYS N N 15 121.624 0.25 . 1 . . . . 11 LYS N . 16153 1 130 . 1 1 12 12 GLN H H 1 8.154 0.02 . 1 . . . . 12 GLN H . 16153 1 131 . 1 1 12 12 GLN HA H 1 4.247 0.02 . 1 . . . . 12 GLN HA . 16153 1 132 . 1 1 12 12 GLN HB2 H 1 1.954 0.02 . 2 . . . . 12 GLN HB2 . 16153 1 133 . 1 1 12 12 GLN HB3 H 1 2.060 0.02 . 2 . . . . 12 GLN HB3 . 16153 1 134 . 1 1 12 12 GLN HG2 H 1 2.374 0.02 . 1 . . . . 12 GLN HG2 . 16153 1 135 . 1 1 12 12 GLN HG3 H 1 2.374 0.02 . 1 . . . . 12 GLN HG3 . 16153 1 136 . 1 1 12 12 GLN C C 13 175.800 0.4 . 1 . . . . 12 GLN C . 16153 1 137 . 1 1 12 12 GLN CA C 13 56.670 0.4 . 1 . . . . 12 GLN CA . 16153 1 138 . 1 1 12 12 GLN CB C 13 33.855 0.4 . 1 . . . . 12 GLN CB . 16153 1 139 . 1 1 12 12 GLN CG C 13 36.122 0.4 . 1 . . . . 12 GLN CG . 16153 1 140 . 1 1 12 12 GLN N N 15 121.590 0.25 . 1 . . . . 12 GLN N . 16153 1 141 . 1 1 13 13 LYS H H 1 8.408 0.02 . 1 . . . . 13 LYS H . 16153 1 142 . 1 1 13 13 LYS HA H 1 4.538 0.02 . 1 . . . . 13 LYS HA . 16153 1 143 . 1 1 13 13 LYS HB2 H 1 1.600 0.02 . 1 . . . . 13 LYS HB2 . 16153 1 144 . 1 1 13 13 LYS HB3 H 1 1.600 0.02 . 1 . . . . 13 LYS HB3 . 16153 1 145 . 1 1 13 13 LYS HD2 H 1 1.403 0.02 . 1 . . . . 13 LYS HD2 . 16153 1 146 . 1 1 13 13 LYS HD3 H 1 1.403 0.02 . 1 . . . . 13 LYS HD3 . 16153 1 147 . 1 1 13 13 LYS HE2 H 1 2.842 0.02 . 1 . . . . 13 LYS HE2 . 16153 1 148 . 1 1 13 13 LYS HE3 H 1 2.842 0.02 . 1 . . . . 13 LYS HE3 . 16153 1 149 . 1 1 13 13 LYS HG2 H 1 1.241 0.02 . 1 . . . . 13 LYS HG2 . 16153 1 150 . 1 1 13 13 LYS HG3 H 1 1.241 0.02 . 1 . . . . 13 LYS HG3 . 16153 1 151 . 1 1 13 13 LYS C C 13 175.500 0.4 . 1 . . . . 13 LYS C . 16153 1 152 . 1 1 13 13 LYS CA C 13 55.500 0.4 . 1 . . . . 13 LYS CA . 16153 1 153 . 1 1 13 13 LYS CB C 13 34.580 0.4 . 1 . . . . 13 LYS CB . 16153 1 154 . 1 1 13 13 LYS CD C 13 29.205 0.4 . 1 . . . . 13 LYS CD . 16153 1 155 . 1 1 13 13 LYS CE C 13 42.884 0.4 . 1 . . . . 13 LYS CE . 16153 1 156 . 1 1 13 13 LYS CG C 13 25.253 0.4 . 1 . . . . 13 LYS CG . 16153 1 157 . 1 1 13 13 LYS N N 15 121.913 0.25 . 1 . . . . 13 LYS N . 16153 1 158 . 1 1 14 14 ALA H H 1 8.771 0.02 . 1 . . . . 14 ALA H . 16153 1 159 . 1 1 14 14 ALA HA H 1 4.581 0.02 . 1 . . . . 14 ALA HA . 16153 1 160 . 1 1 14 14 ALA HB1 H 1 1.367 0.02 . 1 . . . . 14 ALA HB . 16153 1 161 . 1 1 14 14 ALA HB2 H 1 1.367 0.02 . 1 . . . . 14 ALA HB . 16153 1 162 . 1 1 14 14 ALA HB3 H 1 1.367 0.02 . 1 . . . . 14 ALA HB . 16153 1 163 . 1 1 14 14 ALA C C 13 176.100 0.4 . 1 . . . . 14 ALA C . 16153 1 164 . 1 1 14 14 ALA CA C 13 51.250 0.4 . 1 . . . . 14 ALA CA . 16153 1 165 . 1 1 14 14 ALA CB C 13 21.540 0.4 . 1 . . . . 14 ALA CB . 16153 1 166 . 1 1 14 14 ALA N N 15 124.191 0.25 . 1 . . . . 14 ALA N . 16153 1 167 . 1 1 15 15 VAL H H 1 8.287 0.02 . 1 . . . . 15 VAL H . 16153 1 168 . 1 1 15 15 VAL HA H 1 4.405 0.02 . 1 . . . . 15 VAL HA . 16153 1 169 . 1 1 15 15 VAL HB H 1 1.718 0.02 . 1 . . . . 15 VAL HB . 16153 1 170 . 1 1 15 15 VAL HG11 H 1 0.656 0.02 . 2 . . . . 15 VAL HG1 . 16153 1 171 . 1 1 15 15 VAL HG12 H 1 0.656 0.02 . 2 . . . . 15 VAL HG1 . 16153 1 172 . 1 1 15 15 VAL HG13 H 1 0.656 0.02 . 2 . . . . 15 VAL HG1 . 16153 1 173 . 1 1 15 15 VAL HG21 H 1 0.600 0.02 . 2 . . . . 15 VAL HG2 . 16153 1 174 . 1 1 15 15 VAL HG22 H 1 0.600 0.02 . 2 . . . . 15 VAL HG2 . 16153 1 175 . 1 1 15 15 VAL HG23 H 1 0.600 0.02 . 2 . . . . 15 VAL HG2 . 16153 1 176 . 1 1 15 15 VAL C C 13 175.300 0.4 . 1 . . . . 15 VAL C . 16153 1 177 . 1 1 15 15 VAL CA C 13 61.530 0.4 . 1 . . . . 15 VAL CA . 16153 1 178 . 1 1 15 15 VAL CB C 13 32.980 0.4 . 1 . . . . 15 VAL CB . 16153 1 179 . 1 1 15 15 VAL CG1 C 13 20.393 0.4 . 2 . . . . 15 VAL CG1 . 16153 1 180 . 1 1 15 15 VAL CG2 C 13 21.334 0.4 . 2 . . . . 15 VAL CG2 . 16153 1 181 . 1 1 15 15 VAL N N 15 121.035 0.25 . 1 . . . . 15 VAL N . 16153 1 182 . 1 1 16 16 PHE H H 1 8.757 0.02 . 1 . . . . 16 PHE H . 16153 1 183 . 1 1 16 16 PHE HA H 1 4.770 0.02 . 1 . . . . 16 PHE HA . 16153 1 184 . 1 1 16 16 PHE HB2 H 1 2.856 0.02 . 2 . . . . 16 PHE HB2 . 16153 1 185 . 1 1 16 16 PHE HB3 H 1 3.064 0.02 . 2 . . . . 16 PHE HB3 . 16153 1 186 . 1 1 16 16 PHE HD1 H 1 7.016 0.02 . 3 . . . . 16 PHE HD . 16153 1 187 . 1 1 16 16 PHE HD2 H 1 7.016 0.02 . 3 . . . . 16 PHE HD . 16153 1 188 . 1 1 16 16 PHE HE1 H 1 7.016 0.02 . 3 . . . . 16 PHE HE . 16153 1 189 . 1 1 16 16 PHE HE2 H 1 7.016 0.02 . 3 . . . . 16 PHE HE . 16153 1 190 . 1 1 16 16 PHE HZ H 1 7.016 0.02 . 1 . . . . 16 PHE HZ . 16153 1 191 . 1 1 16 16 PHE C C 13 173.200 0.4 . 1 . . . . 16 PHE C . 16153 1 192 . 1 1 16 16 PHE CA C 13 56.180 0.4 . 1 . . . . 16 PHE CA . 16153 1 193 . 1 1 16 16 PHE CB C 13 40.820 0.4 . 1 . . . . 16 PHE CB . 16153 1 194 . 1 1 16 16 PHE CD1 C 13 132.035 0.4 . 3 . . . . 16 PHE CD . 16153 1 195 . 1 1 16 16 PHE CD2 C 13 132.035 0.4 . 3 . . . . 16 PHE CD . 16153 1 196 . 1 1 16 16 PHE CE1 C 13 130.700 0.4 . 3 . . . . 16 PHE CE . 16153 1 197 . 1 1 16 16 PHE CE2 C 13 130.700 0.4 . 3 . . . . 16 PHE CE . 16153 1 198 . 1 1 16 16 PHE N N 15 126.504 0.25 . 1 . . . . 16 PHE N . 16153 1 199 . 1 1 17 17 GLY H H 1 8.305 0.02 . 1 . . . . 17 GLY H . 16153 1 200 . 1 1 17 17 GLY HA2 H 1 4.342 0.02 . 2 . . . . 17 GLY HA2 . 16153 1 201 . 1 1 17 17 GLY HA3 H 1 3.240 0.02 . 2 . . . . 17 GLY HA3 . 16153 1 202 . 1 1 17 17 GLY C C 13 172.682 0.4 . 1 . . . . 17 GLY C . 16153 1 203 . 1 1 17 17 GLY CA C 13 45.070 0.4 . 1 . . . . 17 GLY CA . 16153 1 204 . 1 1 17 17 GLY N N 15 111.670 0.25 . 1 . . . . 17 GLY N . 16153 1 205 . 1 1 18 18 ILE H H 1 8.375 0.02 . 1 . . . . 18 ILE H . 16153 1 206 . 1 1 18 18 ILE HA H 1 4.245 0.02 . 1 . . . . 18 ILE HA . 16153 1 207 . 1 1 18 18 ILE HB H 1 1.454 0.02 . 1 . . . . 18 ILE HB . 16153 1 208 . 1 1 18 18 ILE HD11 H 1 0.673 0.02 . 1 . . . . 18 ILE HD1 . 16153 1 209 . 1 1 18 18 ILE HD12 H 1 0.673 0.02 . 1 . . . . 18 ILE HD1 . 16153 1 210 . 1 1 18 18 ILE HD13 H 1 0.673 0.02 . 1 . . . . 18 ILE HD1 . 16153 1 211 . 1 1 18 18 ILE HG12 H 1 0.949 0.02 . 2 . . . . 18 ILE HG12 . 16153 1 212 . 1 1 18 18 ILE HG13 H 1 1.142 0.02 . 2 . . . . 18 ILE HG13 . 16153 1 213 . 1 1 18 18 ILE HG21 H 1 0.634 0.02 . 1 . . . . 18 ILE HG2 . 16153 1 214 . 1 1 18 18 ILE HG22 H 1 0.634 0.02 . 1 . . . . 18 ILE HG2 . 16153 1 215 . 1 1 18 18 ILE HG23 H 1 0.634 0.02 . 1 . . . . 18 ILE HG2 . 16153 1 216 . 1 1 18 18 ILE C C 13 173.700 0.4 . 1 . . . . 18 ILE C . 16153 1 217 . 1 1 18 18 ILE CA C 13 59.240 0.4 . 1 . . . . 18 ILE CA . 16153 1 218 . 1 1 18 18 ILE CB C 13 40.310 0.4 . 1 . . . . 18 ILE CB . 16153 1 219 . 1 1 18 18 ILE CD1 C 13 13.681 0.4 . 1 . . . . 18 ILE CD1 . 16153 1 220 . 1 1 18 18 ILE CG1 C 13 26.154 0.4 . 1 . . . . 18 ILE CG1 . 16153 1 221 . 1 1 18 18 ILE CG2 C 13 18.203 0.4 . 1 . . . . 18 ILE CG2 . 16153 1 222 . 1 1 18 18 ILE N N 15 120.812 0.25 . 1 . . . . 18 ILE N . 16153 1 223 . 1 1 19 19 TYR H H 1 8.293 0.02 . 1 . . . . 19 TYR H . 16153 1 224 . 1 1 19 19 TYR HA H 1 4.942 0.02 . 1 . . . . 19 TYR HA . 16153 1 225 . 1 1 19 19 TYR HB2 H 1 2.641 0.02 . 2 . . . . 19 TYR HB2 . 16153 1 226 . 1 1 19 19 TYR HB3 H 1 2.811 0.02 . 2 . . . . 19 TYR HB3 . 16153 1 227 . 1 1 19 19 TYR HD1 H 1 6.922 0.02 . 3 . . . . 19 TYR HD . 16153 1 228 . 1 1 19 19 TYR HD2 H 1 6.922 0.02 . 3 . . . . 19 TYR HD . 16153 1 229 . 1 1 19 19 TYR HE1 H 1 6.696 0.02 . 3 . . . . 19 TYR HE . 16153 1 230 . 1 1 19 19 TYR HE2 H 1 6.696 0.02 . 3 . . . . 19 TYR HE . 16153 1 231 . 1 1 19 19 TYR C C 13 174.900 0.4 . 1 . . . . 19 TYR C . 16153 1 232 . 1 1 19 19 TYR CA C 13 56.730 0.4 . 1 . . . . 19 TYR CA . 16153 1 233 . 1 1 19 19 TYR CB C 13 39.200 0.4 . 1 . . . . 19 TYR CB . 16153 1 234 . 1 1 19 19 TYR CD1 C 13 132.942 0.4 . 3 . . . . 19 TYR CD . 16153 1 235 . 1 1 19 19 TYR CD2 C 13 132.942 0.4 . 3 . . . . 19 TYR CD . 16153 1 236 . 1 1 19 19 TYR CE1 C 13 118.260 0.4 . 3 . . . . 19 TYR CE . 16153 1 237 . 1 1 19 19 TYR CE2 C 13 118.260 0.4 . 3 . . . . 19 TYR CE . 16153 1 238 . 1 1 19 19 TYR N N 15 123.869 0.25 . 1 . . . . 19 TYR N . 16153 1 239 . 1 1 20 20 MET H H 1 8.513 0.02 . 1 . . . . 20 MET H . 16153 1 240 . 1 1 20 20 MET HA H 1 4.727 0.02 . 1 . . . . 20 MET HA . 16153 1 241 . 1 1 20 20 MET HB2 H 1 1.827 0.02 . 2 . . . . 20 MET HB2 . 16153 1 242 . 1 1 20 20 MET HB3 H 1 1.912 0.02 . 2 . . . . 20 MET HB3 . 16153 1 243 . 1 1 20 20 MET HE1 H 1 1.662 0.02 . 1 . . . . 20 MET HE . 16153 1 244 . 1 1 20 20 MET HE2 H 1 1.662 0.02 . 1 . . . . 20 MET HE . 16153 1 245 . 1 1 20 20 MET HE3 H 1 1.662 0.02 . 1 . . . . 20 MET HE . 16153 1 246 . 1 1 20 20 MET HG2 H 1 2.433 0.02 . 2 . . . . 20 MET HG2 . 16153 1 247 . 1 1 20 20 MET HG3 H 1 2.527 0.02 . 2 . . . . 20 MET HG3 . 16153 1 248 . 1 1 20 20 MET C C 13 174.100 0.4 . 1 . . . . 20 MET C . 16153 1 249 . 1 1 20 20 MET CA C 13 54.350 0.4 . 1 . . . . 20 MET CA . 16153 1 250 . 1 1 20 20 MET CB C 13 37.450 0.4 . 1 . . . . 20 MET CB . 16153 1 251 . 1 1 20 20 MET CE C 13 16.783 0.4 . 1 . . . . 20 MET CE . 16153 1 252 . 1 1 20 20 MET CG C 13 31.390 0.4 . 1 . . . . 20 MET CG . 16153 1 253 . 1 1 20 20 MET N N 15 120.765 0.25 . 1 . . . . 20 MET N . 16153 1 254 . 1 1 21 21 ASP H H 1 9.139 0.02 . 1 . . . . 21 ASP H . 16153 1 255 . 1 1 21 21 ASP HA H 1 4.418 0.02 . 1 . . . . 21 ASP HA . 16153 1 256 . 1 1 21 21 ASP HB2 H 1 2.563 0.02 . 2 . . . . 21 ASP HB2 . 16153 1 257 . 1 1 21 21 ASP HB3 H 1 2.738 0.02 . 2 . . . . 21 ASP HB3 . 16153 1 258 . 1 1 21 21 ASP C C 13 176.600 0.4 . 1 . . . . 21 ASP C . 16153 1 259 . 1 1 21 21 ASP CA C 13 55.560 0.4 . 1 . . . . 21 ASP CA . 16153 1 260 . 1 1 21 21 ASP CB C 13 42.910 0.4 . 1 . . . . 21 ASP CB . 16153 1 261 . 1 1 21 21 ASP N N 15 125.274 0.25 . 1 . . . . 21 ASP N . 16153 1 262 . 1 1 22 22 LYS H H 1 8.821 0.02 . 1 . . . . 22 LYS H . 16153 1 263 . 1 1 22 22 LYS HA H 1 3.851 0.02 . 1 . . . . 22 LYS HA . 16153 1 264 . 1 1 22 22 LYS HB2 H 1 1.770 0.02 . 1 . . . . 22 LYS HB2 . 16153 1 265 . 1 1 22 22 LYS HB3 H 1 1.770 0.02 . 1 . . . . 22 LYS HB3 . 16153 1 266 . 1 1 22 22 LYS HD2 H 1 1.625 0.02 . 1 . . . . 22 LYS HD2 . 16153 1 267 . 1 1 22 22 LYS HD3 H 1 1.625 0.02 . 1 . . . . 22 LYS HD3 . 16153 1 268 . 1 1 22 22 LYS HE2 H 1 2.917 0.02 . 1 . . . . 22 LYS HE2 . 16153 1 269 . 1 1 22 22 LYS HE3 H 1 2.917 0.02 . 1 . . . . 22 LYS HE3 . 16153 1 270 . 1 1 22 22 LYS HG2 H 1 1.404 0.02 . 1 . . . . 22 LYS HG2 . 16153 1 271 . 1 1 22 22 LYS HG3 H 1 1.404 0.02 . 1 . . . . 22 LYS HG3 . 16153 1 272 . 1 1 22 22 LYS C C 13 178.200 0.4 . 1 . . . . 22 LYS C . 16153 1 273 . 1 1 22 22 LYS CA C 13 60.170 0.4 . 1 . . . . 22 LYS CA . 16153 1 274 . 1 1 22 22 LYS CB C 13 32.780 0.4 . 1 . . . . 22 LYS CB . 16153 1 275 . 1 1 22 22 LYS CD C 13 29.759 0.4 . 1 . . . . 22 LYS CD . 16153 1 276 . 1 1 22 22 LYS CE C 13 42.435 0.4 . 1 . . . . 22 LYS CE . 16153 1 277 . 1 1 22 22 LYS CG C 13 25.251 0.4 . 1 . . . . 22 LYS CG . 16153 1 278 . 1 1 22 22 LYS N N 15 126.689 0.25 . 1 . . . . 22 LYS N . 16153 1 279 . 1 1 23 23 ASP H H 1 8.421 0.02 . 1 . . . . 23 ASP H . 16153 1 280 . 1 1 23 23 ASP HA H 1 4.454 0.02 . 1 . . . . 23 ASP HA . 16153 1 281 . 1 1 23 23 ASP HB2 H 1 2.644 0.02 . 2 . . . . 23 ASP HB2 . 16153 1 282 . 1 1 23 23 ASP HB3 H 1 2.765 0.02 . 2 . . . . 23 ASP HB3 . 16153 1 283 . 1 1 23 23 ASP C C 13 178.700 0.4 . 1 . . . . 23 ASP C . 16153 1 284 . 1 1 23 23 ASP CA C 13 57.310 0.4 . 1 . . . . 23 ASP CA . 16153 1 285 . 1 1 23 23 ASP CB C 13 40.200 0.4 . 1 . . . . 23 ASP CB . 16153 1 286 . 1 1 23 23 ASP N N 15 120.894 0.25 . 1 . . . . 23 ASP N . 16153 1 287 . 1 1 24 24 LEU H H 1 8.079 0.02 . 1 . . . . 24 LEU H . 16153 1 288 . 1 1 24 24 LEU HA H 1 4.029 0.02 . 1 . . . . 24 LEU HA . 16153 1 289 . 1 1 24 24 LEU HB2 H 1 1.612 0.02 . 2 . . . . 24 LEU HB2 . 16153 1 290 . 1 1 24 24 LEU HB3 H 1 1.760 0.02 . 2 . . . . 24 LEU HB3 . 16153 1 291 . 1 1 24 24 LEU HD11 H 1 0.916 0.02 . 1 . . . . 24 LEU HD1 . 16153 1 292 . 1 1 24 24 LEU HD12 H 1 0.916 0.02 . 1 . . . . 24 LEU HD1 . 16153 1 293 . 1 1 24 24 LEU HD13 H 1 0.916 0.02 . 1 . . . . 24 LEU HD1 . 16153 1 294 . 1 1 24 24 LEU HD21 H 1 0.916 0.02 . 1 . . . . 24 LEU HD2 . 16153 1 295 . 1 1 24 24 LEU HD22 H 1 0.916 0.02 . 1 . . . . 24 LEU HD2 . 16153 1 296 . 1 1 24 24 LEU HD23 H 1 0.916 0.02 . 1 . . . . 24 LEU HD2 . 16153 1 297 . 1 1 24 24 LEU HG H 1 1.612 0.02 . 1 . . . . 24 LEU HG . 16153 1 298 . 1 1 24 24 LEU C C 13 177.900 0.4 . 1 . . . . 24 LEU C . 16153 1 299 . 1 1 24 24 LEU CA C 13 57.460 0.4 . 1 . . . . 24 LEU CA . 16153 1 300 . 1 1 24 24 LEU CB C 13 42.000 0.4 . 1 . . . . 24 LEU CB . 16153 1 301 . 1 1 24 24 LEU CD1 C 13 24.490 0.4 . 2 . . . . 24 LEU CD1 . 16153 1 302 . 1 1 24 24 LEU CD2 C 13 25.925 0.4 . 2 . . . . 24 LEU CD2 . 16153 1 303 . 1 1 24 24 LEU CG C 13 26.984 0.4 . 1 . . . . 24 LEU CG . 16153 1 304 . 1 1 24 24 LEU N N 15 123.406 0.25 . 1 . . . . 24 LEU N . 16153 1 305 . 1 1 25 25 LYS H H 1 7.976 0.02 . 1 . . . . 25 LYS H . 16153 1 306 . 1 1 25 25 LYS HA H 1 3.666 0.02 . 1 . . . . 25 LYS HA . 16153 1 307 . 1 1 25 25 LYS HB2 H 1 1.923 0.02 . 1 . . . . 25 LYS HB2 . 16153 1 308 . 1 1 25 25 LYS HB3 H 1 1.923 0.02 . 1 . . . . 25 LYS HB3 . 16153 1 309 . 1 1 25 25 LYS HD2 H 1 1.383 0.02 . 2 . . . . 25 LYS HD2 . 16153 1 310 . 1 1 25 25 LYS HD3 H 1 1.599 0.02 . 2 . . . . 25 LYS HD3 . 16153 1 311 . 1 1 25 25 LYS HE2 H 1 2.316 0.02 . 2 . . . . 25 LYS HE2 . 16153 1 312 . 1 1 25 25 LYS HE3 H 1 2.489 0.02 . 2 . . . . 25 LYS HE3 . 16153 1 313 . 1 1 25 25 LYS HG2 H 1 1.022 0.02 . 2 . . . . 25 LYS HG2 . 16153 1 314 . 1 1 25 25 LYS HG3 H 1 1.159 0.02 . 2 . . . . 25 LYS HG3 . 16153 1 315 . 1 1 25 25 LYS C C 13 178.200 0.4 . 1 . . . . 25 LYS C . 16153 1 316 . 1 1 25 25 LYS CA C 13 60.350 0.4 . 1 . . . . 25 LYS CA . 16153 1 317 . 1 1 25 25 LYS CB C 13 31.870 0.4 . 1 . . . . 25 LYS CB . 16153 1 318 . 1 1 25 25 LYS CD C 13 29.932 0.4 . 1 . . . . 25 LYS CD . 16153 1 319 . 1 1 25 25 LYS CE C 13 41.920 0.4 . 1 . . . . 25 LYS CE . 16153 1 320 . 1 1 25 25 LYS CG C 13 25.026 0.4 . 1 . . . . 25 LYS CG . 16153 1 321 . 1 1 25 25 LYS N N 15 119.319 0.25 . 1 . . . . 25 LYS N . 16153 1 322 . 1 1 26 26 THR H H 1 8.193 0.02 . 1 . . . . 26 THR H . 16153 1 323 . 1 1 26 26 THR HA H 1 3.803 0.02 . 1 . . . . 26 THR HA . 16153 1 324 . 1 1 26 26 THR HB H 1 4.349 0.02 . 1 . . . . 26 THR HB . 16153 1 325 . 1 1 26 26 THR HG21 H 1 1.247 0.02 . 1 . . . . 26 THR HG2 . 16153 1 326 . 1 1 26 26 THR HG22 H 1 1.247 0.02 . 1 . . . . 26 THR HG2 . 16153 1 327 . 1 1 26 26 THR HG23 H 1 1.247 0.02 . 1 . . . . 26 THR HG2 . 16153 1 328 . 1 1 26 26 THR C C 13 175.400 0.4 . 1 . . . . 26 THR C . 16153 1 329 . 1 1 26 26 THR CA C 13 67.110 0.4 . 1 . . . . 26 THR CA . 16153 1 330 . 1 1 26 26 THR CB C 13 68.520 0.4 . 1 . . . . 26 THR CB . 16153 1 331 . 1 1 26 26 THR CG2 C 13 22.072 0.4 . 1 . . . . 26 THR CG2 . 16153 1 332 . 1 1 26 26 THR N N 15 116.606 0.25 . 1 . . . . 26 THR N . 16153 1 333 . 1 1 27 27 ARG H H 1 8.032 0.02 . 1 . . . . 27 ARG H . 16153 1 334 . 1 1 27 27 ARG HA H 1 3.986 0.02 . 1 . . . . 27 ARG HA . 16153 1 335 . 1 1 27 27 ARG HB2 H 1 1.835 0.02 . 2 . . . . 27 ARG HB2 . 16153 1 336 . 1 1 27 27 ARG HB3 H 1 2.048 0.02 . 2 . . . . 27 ARG HB3 . 16153 1 337 . 1 1 27 27 ARG HD2 H 1 3.265 0.02 . 1 . . . . 27 ARG HD2 . 16153 1 338 . 1 1 27 27 ARG HD3 H 1 3.265 0.02 . 1 . . . . 27 ARG HD3 . 16153 1 339 . 1 1 27 27 ARG HE H 1 8.323 0.02 . 1 . . . . 27 ARG HE . 16153 1 340 . 1 1 27 27 ARG HG2 H 1 1.633 0.02 . 2 . . . . 27 ARG HG2 . 16153 1 341 . 1 1 27 27 ARG HG3 H 1 1.914 0.02 . 2 . . . . 27 ARG HG3 . 16153 1 342 . 1 1 27 27 ARG C C 13 179.900 0.4 . 1 . . . . 27 ARG C . 16153 1 343 . 1 1 27 27 ARG CA C 13 59.730 0.4 . 1 . . . . 27 ARG CA . 16153 1 344 . 1 1 27 27 ARG CB C 13 31.850 0.4 . 1 . . . . 27 ARG CB . 16153 1 345 . 1 1 27 27 ARG CD C 13 44.877 0.4 . 1 . . . . 27 ARG CD . 16153 1 346 . 1 1 27 27 ARG CG C 13 26.795 0.4 . 1 . . . . 27 ARG CG . 16153 1 347 . 1 1 27 27 ARG N N 15 121.054 0.25 . 1 . . . . 27 ARG N . 16153 1 348 . 1 1 27 27 ARG NE N 15 83.909 0.25 . 1 . . . . 27 ARG NE . 16153 1 349 . 1 1 28 28 LEU H H 1 8.485 0.02 . 1 . . . . 28 LEU H . 16153 1 350 . 1 1 28 28 LEU HA H 1 4.270 0.02 . 1 . . . . 28 LEU HA . 16153 1 351 . 1 1 28 28 LEU HB2 H 1 1.404 0.02 . 2 . . . . 28 LEU HB2 . 16153 1 352 . 1 1 28 28 LEU HB3 H 1 2.066 0.02 . 2 . . . . 28 LEU HB3 . 16153 1 353 . 1 1 28 28 LEU HD11 H 1 0.787 0.02 . 2 . . . . 28 LEU HD1 . 16153 1 354 . 1 1 28 28 LEU HD12 H 1 0.787 0.02 . 2 . . . . 28 LEU HD1 . 16153 1 355 . 1 1 28 28 LEU HD13 H 1 0.787 0.02 . 2 . . . . 28 LEU HD1 . 16153 1 356 . 1 1 28 28 LEU HD21 H 1 0.905 0.02 . 2 . . . . 28 LEU HD2 . 16153 1 357 . 1 1 28 28 LEU HD22 H 1 0.905 0.02 . 2 . . . . 28 LEU HD2 . 16153 1 358 . 1 1 28 28 LEU HD23 H 1 0.905 0.02 . 2 . . . . 28 LEU HD2 . 16153 1 359 . 1 1 28 28 LEU HG H 1 1.634 0.02 . 1 . . . . 28 LEU HG . 16153 1 360 . 1 1 28 28 LEU C C 13 178.000 0.4 . 1 . . . . 28 LEU C . 16153 1 361 . 1 1 28 28 LEU CA C 13 58.090 0.4 . 1 . . . . 28 LEU CA . 16153 1 362 . 1 1 28 28 LEU CB C 13 42.020 0.4 . 1 . . . . 28 LEU CB . 16153 1 363 . 1 1 28 28 LEU CD1 C 13 26.468 0.4 . 2 . . . . 28 LEU CD1 . 16153 1 364 . 1 1 28 28 LEU CD2 C 13 23.879 0.4 . 2 . . . . 28 LEU CD2 . 16153 1 365 . 1 1 28 28 LEU CG C 13 26.468 0.4 . 1 . . . . 28 LEU CG . 16153 1 366 . 1 1 28 28 LEU N N 15 121.174 0.25 . 1 . . . . 28 LEU N . 16153 1 367 . 1 1 29 29 LYS H H 1 8.699 0.02 . 1 . . . . 29 LYS H . 16153 1 368 . 1 1 29 29 LYS HA H 1 3.899 0.02 . 1 . . . . 29 LYS HA . 16153 1 369 . 1 1 29 29 LYS HB2 H 1 2.012 0.02 . 1 . . . . 29 LYS HB2 . 16153 1 370 . 1 1 29 29 LYS HB3 H 1 2.012 0.02 . 1 . . . . 29 LYS HB3 . 16153 1 371 . 1 1 29 29 LYS HD2 H 1 1.675 0.02 . 1 . . . . 29 LYS HD2 . 16153 1 372 . 1 1 29 29 LYS HD3 H 1 1.675 0.02 . 1 . . . . 29 LYS HD3 . 16153 1 373 . 1 1 29 29 LYS HE2 H 1 2.938 0.02 . 1 . . . . 29 LYS HE2 . 16153 1 374 . 1 1 29 29 LYS HE3 H 1 2.938 0.02 . 1 . . . . 29 LYS HE3 . 16153 1 375 . 1 1 29 29 LYS HG2 H 1 1.446 0.02 . 1 . . . . 29 LYS HG2 . 16153 1 376 . 1 1 29 29 LYS HG3 H 1 1.446 0.02 . 1 . . . . 29 LYS HG3 . 16153 1 377 . 1 1 29 29 LYS C C 13 179.700 0.4 . 1 . . . . 29 LYS C . 16153 1 378 . 1 1 29 29 LYS CA C 13 60.760 0.4 . 1 . . . . 29 LYS CA . 16153 1 379 . 1 1 29 29 LYS CB C 13 31.950 0.4 . 1 . . . . 29 LYS CB . 16153 1 380 . 1 1 29 29 LYS CD C 13 29.590 0.4 . 1 . . . . 29 LYS CD . 16153 1 381 . 1 1 29 29 LYS CE C 13 41.477 0.4 . 1 . . . . 29 LYS CE . 16153 1 382 . 1 1 29 29 LYS CG C 13 24.943 0.4 . 1 . . . . 29 LYS CG . 16153 1 383 . 1 1 29 29 LYS N N 15 121.221 0.25 . 1 . . . . 29 LYS N . 16153 1 384 . 1 1 30 30 VAL H H 1 8.616 0.02 . 1 . . . . 30 VAL H . 16153 1 385 . 1 1 30 30 VAL HA H 1 3.740 0.02 . 1 . . . . 30 VAL HA . 16153 1 386 . 1 1 30 30 VAL HB H 1 2.157 0.02 . 1 . . . . 30 VAL HB . 16153 1 387 . 1 1 30 30 VAL HG11 H 1 1.105 0.02 . 2 . . . . 30 VAL HG1 . 16153 1 388 . 1 1 30 30 VAL HG12 H 1 1.105 0.02 . 2 . . . . 30 VAL HG1 . 16153 1 389 . 1 1 30 30 VAL HG13 H 1 1.105 0.02 . 2 . . . . 30 VAL HG1 . 16153 1 390 . 1 1 30 30 VAL HG21 H 1 1.008 0.02 . 2 . . . . 30 VAL HG2 . 16153 1 391 . 1 1 30 30 VAL HG22 H 1 1.008 0.02 . 2 . . . . 30 VAL HG2 . 16153 1 392 . 1 1 30 30 VAL HG23 H 1 1.008 0.02 . 2 . . . . 30 VAL HG2 . 16153 1 393 . 1 1 30 30 VAL C C 13 178.100 0.4 . 1 . . . . 30 VAL C . 16153 1 394 . 1 1 30 30 VAL CA C 13 66.610 0.4 . 1 . . . . 30 VAL CA . 16153 1 395 . 1 1 30 30 VAL CB C 13 32.040 0.4 . 1 . . . . 30 VAL CB . 16153 1 396 . 1 1 30 30 VAL CG1 C 13 22.873 0.4 . 2 . . . . 30 VAL CG1 . 16153 1 397 . 1 1 30 30 VAL CG2 C 13 21.096 0.4 . 2 . . . . 30 VAL CG2 . 16153 1 398 . 1 1 30 30 VAL N N 15 121.029 0.25 . 1 . . . . 30 VAL N . 16153 1 399 . 1 1 31 31 TYR H H 1 7.998 0.02 . 1 . . . . 31 TYR H . 16153 1 400 . 1 1 31 31 TYR HA H 1 4.029 0.02 . 1 . . . . 31 TYR HA . 16153 1 401 . 1 1 31 31 TYR HB2 H 1 3.200 0.02 . 2 . . . . 31 TYR HB2 . 16153 1 402 . 1 1 31 31 TYR HB3 H 1 3.305 0.02 . 2 . . . . 31 TYR HB3 . 16153 1 403 . 1 1 31 31 TYR HD1 H 1 7.077 0.02 . 3 . . . . 31 TYR HD . 16153 1 404 . 1 1 31 31 TYR HD2 H 1 7.077 0.02 . 3 . . . . 31 TYR HD . 16153 1 405 . 1 1 31 31 TYR HE1 H 1 6.816 0.02 . 3 . . . . 31 TYR HE . 16153 1 406 . 1 1 31 31 TYR HE2 H 1 6.816 0.02 . 3 . . . . 31 TYR HE . 16153 1 407 . 1 1 31 31 TYR C C 13 179.000 0.4 . 1 . . . . 31 TYR C . 16153 1 408 . 1 1 31 31 TYR CA C 13 62.830 0.4 . 1 . . . . 31 TYR CA . 16153 1 409 . 1 1 31 31 TYR CB C 13 39.040 0.4 . 1 . . . . 31 TYR CB . 16153 1 410 . 1 1 31 31 TYR CD1 C 13 132.268 0.4 . 3 . . . . 31 TYR CD . 16153 1 411 . 1 1 31 31 TYR CD2 C 13 132.268 0.4 . 3 . . . . 31 TYR CD . 16153 1 412 . 1 1 31 31 TYR CE1 C 13 119.155 0.4 . 3 . . . . 31 TYR CE . 16153 1 413 . 1 1 31 31 TYR CE2 C 13 119.155 0.4 . 3 . . . . 31 TYR CE . 16153 1 414 . 1 1 31 31 TYR N N 15 121.235 0.25 . 1 . . . . 31 TYR N . 16153 1 415 . 1 1 32 32 CYS H H 1 8.833 0.02 . 1 . . . . 32 CYS H . 16153 1 416 . 1 1 32 32 CYS HA H 1 3.889 0.02 . 1 . . . . 32 CYS HA . 16153 1 417 . 1 1 32 32 CYS HB2 H 1 2.950 0.02 . 2 . . . . 32 CYS HB2 . 16153 1 418 . 1 1 32 32 CYS HB3 H 1 3.342 0.02 . 2 . . . . 32 CYS HB3 . 16153 1 419 . 1 1 32 32 CYS C C 13 176.800 0.4 . 1 . . . . 32 CYS C . 16153 1 420 . 1 1 32 32 CYS CA C 13 65.290 0.4 . 1 . . . . 32 CYS CA . 16153 1 421 . 1 1 32 32 CYS CB C 13 26.040 0.4 . 1 . . . . 32 CYS CB . 16153 1 422 . 1 1 32 32 CYS N N 15 118.092 0.25 . 1 . . . . 32 CYS N . 16153 1 423 . 1 1 33 33 ALA H H 1 8.238 0.02 . 1 . . . . 33 ALA H . 16153 1 424 . 1 1 33 33 ALA HA H 1 4.215 0.02 . 1 . . . . 33 ALA HA . 16153 1 425 . 1 1 33 33 ALA HB1 H 1 1.525 0.02 . 1 . . . . 33 ALA HB . 16153 1 426 . 1 1 33 33 ALA HB2 H 1 1.525 0.02 . 1 . . . . 33 ALA HB . 16153 1 427 . 1 1 33 33 ALA HB3 H 1 1.525 0.02 . 1 . . . . 33 ALA HB . 16153 1 428 . 1 1 33 33 ALA C C 13 180.900 0.4 . 1 . . . . 33 ALA C . 16153 1 429 . 1 1 33 33 ALA CA C 13 54.880 0.4 . 1 . . . . 33 ALA CA . 16153 1 430 . 1 1 33 33 ALA CB C 13 18.010 0.4 . 1 . . . . 33 ALA CB . 16153 1 431 . 1 1 33 33 ALA N N 15 122.005 0.25 . 1 . . . . 33 ALA N . 16153 1 432 . 1 1 34 34 LYS H H 1 7.883 0.02 . 1 . . . . 34 LYS H . 16153 1 433 . 1 1 34 34 LYS HA H 1 4.044 0.02 . 1 . . . . 34 LYS HA . 16153 1 434 . 1 1 34 34 LYS HB2 H 1 1.745 0.02 . 1 . . . . 34 LYS HB2 . 16153 1 435 . 1 1 34 34 LYS HB3 H 1 1.745 0.02 . 1 . . . . 34 LYS HB3 . 16153 1 436 . 1 1 34 34 LYS HD2 H 1 1.617 0.02 . 1 . . . . 34 LYS HD2 . 16153 1 437 . 1 1 34 34 LYS HD3 H 1 1.617 0.02 . 1 . . . . 34 LYS HD3 . 16153 1 438 . 1 1 34 34 LYS HE2 H 1 2.924 0.02 . 1 . . . . 34 LYS HE2 . 16153 1 439 . 1 1 34 34 LYS HE3 H 1 2.924 0.02 . 1 . . . . 34 LYS HE3 . 16153 1 440 . 1 1 34 34 LYS HG2 H 1 1.377 0.02 . 2 . . . . 34 LYS HG2 . 16153 1 441 . 1 1 34 34 LYS HG3 H 1 1.482 0.02 . 2 . . . . 34 LYS HG3 . 16153 1 442 . 1 1 34 34 LYS C C 13 177.100 0.4 . 1 . . . . 34 LYS C . 16153 1 443 . 1 1 34 34 LYS CA C 13 58.490 0.4 . 1 . . . . 34 LYS CA . 16153 1 444 . 1 1 34 34 LYS CB C 13 32.900 0.4 . 1 . . . . 34 LYS CB . 16153 1 445 . 1 1 34 34 LYS CD C 13 29.375 0.4 . 1 . . . . 34 LYS CD . 16153 1 446 . 1 1 34 34 LYS CE C 13 42.021 0.4 . 1 . . . . 34 LYS CE . 16153 1 447 . 1 1 34 34 LYS CG C 13 25.144 0.4 . 1 . . . . 34 LYS CG . 16153 1 448 . 1 1 34 34 LYS N N 15 117.252 0.25 . 1 . . . . 34 LYS N . 16153 1 449 . 1 1 35 35 ASN H H 1 7.122 0.02 . 1 . . . . 35 ASN H . 16153 1 450 . 1 1 35 35 ASN HA H 1 4.698 0.02 . 1 . . . . 35 ASN HA . 16153 1 451 . 1 1 35 35 ASN HB2 H 1 1.823 0.02 . 2 . . . . 35 ASN HB2 . 16153 1 452 . 1 1 35 35 ASN HB3 H 1 2.665 0.02 . 2 . . . . 35 ASN HB3 . 16153 1 453 . 1 1 35 35 ASN HD21 H 1 6.256 0.02 . 1 . . . . 35 ASN HD21 . 16153 1 454 . 1 1 35 35 ASN HD22 H 1 6.986 0.02 . 1 . . . . 35 ASN HD22 . 16153 1 455 . 1 1 35 35 ASN C C 13 172.600 0.4 . 1 . . . . 35 ASN C . 16153 1 456 . 1 1 35 35 ASN CA C 13 53.490 0.4 . 1 . . . . 35 ASN CA . 16153 1 457 . 1 1 35 35 ASN CB C 13 39.930 0.4 . 1 . . . . 35 ASN CB . 16153 1 458 . 1 1 35 35 ASN CG C 13 176.950 0.4 . 1 . . . . 35 ASN CG . 16153 1 459 . 1 1 35 35 ASN N N 15 113.516 0.25 . 1 . . . . 35 ASN N . 16153 1 460 . 1 1 35 35 ASN ND2 N 15 118.036 0.25 . 1 . . . . 35 ASN ND2 . 16153 1 461 . 1 1 36 36 ASN H H 1 7.650 0.02 . 1 . . . . 36 ASN H . 16153 1 462 . 1 1 36 36 ASN HA H 1 4.364 0.02 . 1 . . . . 36 ASN HA . 16153 1 463 . 1 1 36 36 ASN HB2 H 1 2.662 0.02 . 2 . . . . 36 ASN HB2 . 16153 1 464 . 1 1 36 36 ASN HB3 H 1 3.067 0.02 . 2 . . . . 36 ASN HB3 . 16153 1 465 . 1 1 36 36 ASN HD21 H 1 6.777 0.02 . 1 . . . . 36 ASN HD21 . 16153 1 466 . 1 1 36 36 ASN HD22 H 1 7.551 0.02 . 1 . . . . 36 ASN HD22 . 16153 1 467 . 1 1 36 36 ASN C C 13 173.600 0.4 . 1 . . . . 36 ASN C . 16153 1 468 . 1 1 36 36 ASN CA C 13 54.490 0.4 . 1 . . . . 36 ASN CA . 16153 1 469 . 1 1 36 36 ASN CB C 13 37.050 0.4 . 1 . . . . 36 ASN CB . 16153 1 470 . 1 1 36 36 ASN CG C 13 178.452 0.4 . 1 . . . . 36 ASN CG . 16153 1 471 . 1 1 36 36 ASN N N 15 116.989 0.25 . 1 . . . . 36 ASN N . 16153 1 472 . 1 1 36 36 ASN ND2 N 15 112.569 0.25 . 1 . . . . 36 ASN ND2 . 16153 1 473 . 1 1 37 37 LEU H H 1 8.356 0.02 . 1 . . . . 37 LEU H . 16153 1 474 . 1 1 37 37 LEU HA H 1 4.741 0.02 . 1 . . . . 37 LEU HA . 16153 1 475 . 1 1 37 37 LEU HB2 H 1 1.448 0.02 . 2 . . . . 37 LEU HB2 . 16153 1 476 . 1 1 37 37 LEU HB3 H 1 1.515 0.02 . 2 . . . . 37 LEU HB3 . 16153 1 477 . 1 1 37 37 LEU HD11 H 1 0.922 0.02 . 2 . . . . 37 LEU HD1 . 16153 1 478 . 1 1 37 37 LEU HD12 H 1 0.922 0.02 . 2 . . . . 37 LEU HD1 . 16153 1 479 . 1 1 37 37 LEU HD13 H 1 0.922 0.02 . 2 . . . . 37 LEU HD1 . 16153 1 480 . 1 1 37 37 LEU HD21 H 1 1.013 0.02 . 2 . . . . 37 LEU HD2 . 16153 1 481 . 1 1 37 37 LEU HD22 H 1 1.013 0.02 . 2 . . . . 37 LEU HD2 . 16153 1 482 . 1 1 37 37 LEU HD23 H 1 1.013 0.02 . 2 . . . . 37 LEU HD2 . 16153 1 483 . 1 1 37 37 LEU HG H 1 1.515 0.02 . 1 . . . . 37 LEU HG . 16153 1 484 . 1 1 37 37 LEU C C 13 177.100 0.4 . 1 . . . . 37 LEU C . 16153 1 485 . 1 1 37 37 LEU CA C 13 53.380 0.4 . 1 . . . . 37 LEU CA . 16153 1 486 . 1 1 37 37 LEU CB C 13 46.170 0.4 . 1 . . . . 37 LEU CB . 16153 1 487 . 1 1 37 37 LEU CD1 C 13 24.224 0.4 . 2 . . . . 37 LEU CD1 . 16153 1 488 . 1 1 37 37 LEU CD2 C 13 26.167 0.4 . 2 . . . . 37 LEU CD2 . 16153 1 489 . 1 1 37 37 LEU CG C 13 26.580 0.4 . 1 . . . . 37 LEU CG . 16153 1 490 . 1 1 37 37 LEU N N 15 118.046 0.25 . 1 . . . . 37 LEU N . 16153 1 491 . 1 1 38 38 GLN H H 1 8.649 0.02 . 1 . . . . 38 GLN H . 16153 1 492 . 1 1 38 38 GLN HA H 1 4.436 0.02 . 1 . . . . 38 GLN HA . 16153 1 493 . 1 1 38 38 GLN HB2 H 1 1.950 0.02 . 1 . . . . 38 GLN HB2 . 16153 1 494 . 1 1 38 38 GLN HB3 H 1 1.950 0.02 . 1 . . . . 38 GLN HB3 . 16153 1 495 . 1 1 38 38 GLN HE21 H 1 6.911 0.02 . 1 . . . . 38 GLN HE21 . 16153 1 496 . 1 1 38 38 GLN HE22 H 1 7.659 0.02 . 1 . . . . 38 GLN HE22 . 16153 1 497 . 1 1 38 38 GLN HG2 H 1 2.346 0.02 . 2 . . . . 38 GLN HG2 . 16153 1 498 . 1 1 38 38 GLN HG3 H 1 2.495 0.02 . 2 . . . . 38 GLN HG3 . 16153 1 499 . 1 1 38 38 GLN C C 13 177.400 0.4 . 1 . . . . 38 GLN C . 16153 1 500 . 1 1 38 38 GLN CA C 13 54.870 0.4 . 1 . . . . 38 GLN CA . 16153 1 501 . 1 1 38 38 GLN CB C 13 29.490 0.4 . 1 . . . . 38 GLN CB . 16153 1 502 . 1 1 38 38 GLN CD C 13 180.315 0.4 . 1 . . . . 38 GLN CD . 16153 1 503 . 1 1 38 38 GLN CG C 13 33.837 0.4 . 1 . . . . 38 GLN CG . 16153 1 504 . 1 1 38 38 GLN N N 15 120.404 0.25 . 1 . . . . 38 GLN N . 16153 1 505 . 1 1 38 38 GLN NE2 N 15 113.854 0.25 . 1 . . . . 38 GLN NE2 . 16153 1 506 . 1 1 39 39 LEU H H 1 8.862 0.02 . 1 . . . . 39 LEU H . 16153 1 507 . 1 1 39 39 LEU HA H 1 4.288 0.02 . 1 . . . . 39 LEU HA . 16153 1 508 . 1 1 39 39 LEU HB2 H 1 1.626 0.02 . 2 . . . . 39 LEU HB2 . 16153 1 509 . 1 1 39 39 LEU HB3 H 1 1.781 0.02 . 2 . . . . 39 LEU HB3 . 16153 1 510 . 1 1 39 39 LEU HD11 H 1 0.920 0.02 . 2 . . . . 39 LEU HD1 . 16153 1 511 . 1 1 39 39 LEU HD12 H 1 0.920 0.02 . 2 . . . . 39 LEU HD1 . 16153 1 512 . 1 1 39 39 LEU HD13 H 1 0.920 0.02 . 2 . . . . 39 LEU HD1 . 16153 1 513 . 1 1 39 39 LEU HD21 H 1 0.868 0.02 . 2 . . . . 39 LEU HD2 . 16153 1 514 . 1 1 39 39 LEU HD22 H 1 0.868 0.02 . 2 . . . . 39 LEU HD2 . 16153 1 515 . 1 1 39 39 LEU HD23 H 1 0.868 0.02 . 2 . . . . 39 LEU HD2 . 16153 1 516 . 1 1 39 39 LEU HG H 1 1.738 0.02 . 1 . . . . 39 LEU HG . 16153 1 517 . 1 1 39 39 LEU C C 13 178.800 0.4 . 1 . . . . 39 LEU C . 16153 1 518 . 1 1 39 39 LEU CA C 13 59.270 0.4 . 1 . . . . 39 LEU CA . 16153 1 519 . 1 1 39 39 LEU CB C 13 42.190 0.4 . 1 . . . . 39 LEU CB . 16153 1 520 . 1 1 39 39 LEU CD1 C 13 25.362 0.4 . 1 . . . . 39 LEU CD1 . 16153 1 521 . 1 1 39 39 LEU CD2 C 13 25.362 0.4 . 1 . . . . 39 LEU CD2 . 16153 1 522 . 1 1 39 39 LEU CG C 13 27.804 0.4 . 1 . . . . 39 LEU CG . 16153 1 523 . 1 1 39 39 LEU N N 15 126.026 0.25 . 1 . . . . 39 LEU N . 16153 1 524 . 1 1 40 40 THR H H 1 8.408 0.02 . 1 . . . . 40 THR H . 16153 1 525 . 1 1 40 40 THR HA H 1 3.819 0.02 . 1 . . . . 40 THR HA . 16153 1 526 . 1 1 40 40 THR HB H 1 4.154 0.02 . 1 . . . . 40 THR HB . 16153 1 527 . 1 1 40 40 THR HG21 H 1 1.307 0.02 . 1 . . . . 40 THR HG2 . 16153 1 528 . 1 1 40 40 THR HG22 H 1 1.307 0.02 . 1 . . . . 40 THR HG2 . 16153 1 529 . 1 1 40 40 THR HG23 H 1 1.307 0.02 . 1 . . . . 40 THR HG2 . 16153 1 530 . 1 1 40 40 THR C C 13 175.700 0.4 . 1 . . . . 40 THR C . 16153 1 531 . 1 1 40 40 THR CA C 13 66.760 0.4 . 1 . . . . 40 THR CA . 16153 1 532 . 1 1 40 40 THR CB C 13 68.620 0.4 . 1 . . . . 40 THR CB . 16153 1 533 . 1 1 40 40 THR CG2 C 13 22.212 0.4 . 1 . . . . 40 THR CG2 . 16153 1 534 . 1 1 40 40 THR N N 15 110.087 0.25 . 1 . . . . 40 THR N . 16153 1 535 . 1 1 41 41 GLN H H 1 6.817 0.02 . 1 . . . . 41 GLN H . 16153 1 536 . 1 1 41 41 GLN HA H 1 4.192 0.02 . 1 . . . . 41 GLN HA . 16153 1 537 . 1 1 41 41 GLN HB2 H 1 2.187 0.02 . 2 . . . . 41 GLN HB2 . 16153 1 538 . 1 1 41 41 GLN HB3 H 1 2.294 0.02 . 2 . . . . 41 GLN HB3 . 16153 1 539 . 1 1 41 41 GLN HE21 H 1 6.915 0.02 . 1 . . . . 41 GLN HE21 . 16153 1 540 . 1 1 41 41 GLN HE22 H 1 7.742 0.02 . 1 . . . . 41 GLN HE22 . 16153 1 541 . 1 1 41 41 GLN HG2 H 1 2.435 0.02 . 1 . . . . 41 GLN HG2 . 16153 1 542 . 1 1 41 41 GLN HG3 H 1 2.435 0.02 . 1 . . . . 41 GLN HG3 . 16153 1 543 . 1 1 41 41 GLN C C 13 178.000 0.4 . 1 . . . . 41 GLN C . 16153 1 544 . 1 1 41 41 GLN CA C 13 58.650 0.4 . 1 . . . . 41 GLN CA . 16153 1 545 . 1 1 41 41 GLN CB C 13 28.850 0.4 . 1 . . . . 41 GLN CB . 16153 1 546 . 1 1 41 41 GLN CG C 13 34.124 0.4 . 1 . . . . 41 GLN CG . 16153 1 547 . 1 1 41 41 GLN N N 15 119.955 0.25 . 1 . . . . 41 GLN N . 16153 1 548 . 1 1 41 41 GLN NE2 N 15 112.659 0.25 . 1 . . . . 41 GLN NE2 . 16153 1 549 . 1 1 42 42 ALA H H 1 7.755 0.02 . 1 . . . . 42 ALA H . 16153 1 550 . 1 1 42 42 ALA HA H 1 4.002 0.02 . 1 . . . . 42 ALA HA . 16153 1 551 . 1 1 42 42 ALA HB1 H 1 1.412 0.02 . 1 . . . . 42 ALA HB . 16153 1 552 . 1 1 42 42 ALA HB2 H 1 1.412 0.02 . 1 . . . . 42 ALA HB . 16153 1 553 . 1 1 42 42 ALA HB3 H 1 1.412 0.02 . 1 . . . . 42 ALA HB . 16153 1 554 . 1 1 42 42 ALA C C 13 178.300 0.4 . 1 . . . . 42 ALA C . 16153 1 555 . 1 1 42 42 ALA CA C 13 55.190 0.4 . 1 . . . . 42 ALA CA . 16153 1 556 . 1 1 42 42 ALA CB C 13 19.570 0.4 . 1 . . . . 42 ALA CB . 16153 1 557 . 1 1 42 42 ALA N N 15 121.978 0.25 . 1 . . . . 42 ALA N . 16153 1 558 . 1 1 43 43 ILE H H 1 8.118 0.02 . 1 . . . . 43 ILE H . 16153 1 559 . 1 1 43 43 ILE HA H 1 3.184 0.02 . 1 . . . . 43 ILE HA . 16153 1 560 . 1 1 43 43 ILE HB H 1 1.810 0.02 . 1 . . . . 43 ILE HB . 16153 1 561 . 1 1 43 43 ILE HD11 H 1 0.745 0.02 . 1 . . . . 43 ILE HD1 . 16153 1 562 . 1 1 43 43 ILE HD12 H 1 0.745 0.02 . 1 . . . . 43 ILE HD1 . 16153 1 563 . 1 1 43 43 ILE HD13 H 1 0.745 0.02 . 1 . . . . 43 ILE HD1 . 16153 1 564 . 1 1 43 43 ILE HG12 H 1 0.905 0.02 . 1 . . . . 43 ILE HG12 . 16153 1 565 . 1 1 43 43 ILE HG13 H 1 0.905 0.02 . 1 . . . . 43 ILE HG13 . 16153 1 566 . 1 1 43 43 ILE HG21 H 1 0.694 0.02 . 1 . . . . 43 ILE HG2 . 16153 1 567 . 1 1 43 43 ILE HG22 H 1 0.694 0.02 . 1 . . . . 43 ILE HG2 . 16153 1 568 . 1 1 43 43 ILE HG23 H 1 0.694 0.02 . 1 . . . . 43 ILE HG2 . 16153 1 569 . 1 1 43 43 ILE C C 13 177.300 0.4 . 1 . . . . 43 ILE C . 16153 1 570 . 1 1 43 43 ILE CA C 13 65.600 0.4 . 1 . . . . 43 ILE CA . 16153 1 571 . 1 1 43 43 ILE CB C 13 37.550 0.4 . 1 . . . . 43 ILE CB . 16153 1 572 . 1 1 43 43 ILE CD1 C 13 13.835 0.4 . 1 . . . . 43 ILE CD1 . 16153 1 573 . 1 1 43 43 ILE CG2 C 13 17.063 0.4 . 1 . . . . 43 ILE CG2 . 16153 1 574 . 1 1 43 43 ILE N N 15 115.574 0.25 . 1 . . . . 43 ILE N . 16153 1 575 . 1 1 44 44 GLU H H 1 7.990 0.02 . 1 . . . . 44 GLU H . 16153 1 576 . 1 1 44 44 GLU HA H 1 3.678 0.02 . 1 . . . . 44 GLU HA . 16153 1 577 . 1 1 44 44 GLU HB2 H 1 2.140 0.02 . 2 . . . . 44 GLU HB2 . 16153 1 578 . 1 1 44 44 GLU HB3 H 1 2.184 0.02 . 2 . . . . 44 GLU HB3 . 16153 1 579 . 1 1 44 44 GLU HG2 H 1 1.978 0.02 . 2 . . . . 44 GLU HG2 . 16153 1 580 . 1 1 44 44 GLU HG3 H 1 2.603 0.02 . 2 . . . . 44 GLU HG3 . 16153 1 581 . 1 1 44 44 GLU C C 13 178.400 0.4 . 1 . . . . 44 GLU C . 16153 1 582 . 1 1 44 44 GLU CA C 13 61.090 0.4 . 1 . . . . 44 GLU CA . 16153 1 583 . 1 1 44 44 GLU CB C 13 29.630 0.4 . 1 . . . . 44 GLU CB . 16153 1 584 . 1 1 44 44 GLU CG C 13 38.204 0.4 . 1 . . . . 44 GLU CG . 16153 1 585 . 1 1 44 44 GLU N N 15 118.630 0.25 . 1 . . . . 44 GLU N . 16153 1 586 . 1 1 45 45 GLU H H 1 8.110 0.02 . 1 . . . . 45 GLU H . 16153 1 587 . 1 1 45 45 GLU HA H 1 3.939 0.02 . 1 . . . . 45 GLU HA . 16153 1 588 . 1 1 45 45 GLU HB2 H 1 2.117 0.02 . 1 . . . . 45 GLU HB2 . 16153 1 589 . 1 1 45 45 GLU HB3 H 1 2.117 0.02 . 1 . . . . 45 GLU HB3 . 16153 1 590 . 1 1 45 45 GLU HG2 H 1 2.409 0.02 . 2 . . . . 45 GLU HG2 . 16153 1 591 . 1 1 45 45 GLU HG3 H 1 2.527 0.02 . 2 . . . . 45 GLU HG3 . 16153 1 592 . 1 1 45 45 GLU C C 13 178.600 0.4 . 1 . . . . 45 GLU C . 16153 1 593 . 1 1 45 45 GLU CA C 13 59.650 0.4 . 1 . . . . 45 GLU CA . 16153 1 594 . 1 1 45 45 GLU CB C 13 29.730 0.4 . 1 . . . . 45 GLU CB . 16153 1 595 . 1 1 45 45 GLU CG C 13 36.340 0.4 . 1 . . . . 45 GLU CG . 16153 1 596 . 1 1 45 45 GLU N N 15 118.927 0.25 . 1 . . . . 45 GLU N . 16153 1 597 . 1 1 46 46 ALA H H 1 8.363 0.02 . 1 . . . . 46 ALA H . 16153 1 598 . 1 1 46 46 ALA HA H 1 3.859 0.02 . 1 . . . . 46 ALA HA . 16153 1 599 . 1 1 46 46 ALA HB1 H 1 0.931 0.02 . 1 . . . . 46 ALA HB . 16153 1 600 . 1 1 46 46 ALA HB2 H 1 0.931 0.02 . 1 . . . . 46 ALA HB . 16153 1 601 . 1 1 46 46 ALA HB3 H 1 0.931 0.02 . 1 . . . . 46 ALA HB . 16153 1 602 . 1 1 46 46 ALA C C 13 181.500 0.4 . 1 . . . . 46 ALA C . 16153 1 603 . 1 1 46 46 ALA CA C 13 55.080 0.4 . 1 . . . . 46 ALA CA . 16153 1 604 . 1 1 46 46 ALA CB C 13 17.090 0.4 . 1 . . . . 46 ALA CB . 16153 1 605 . 1 1 46 46 ALA N N 15 120.991 0.25 . 1 . . . . 46 ALA N . 16153 1 606 . 1 1 47 47 ILE H H 1 8.496 0.02 . 1 . . . . 47 ILE H . 16153 1 607 . 1 1 47 47 ILE HA H 1 3.447 0.02 . 1 . . . . 47 ILE HA . 16153 1 608 . 1 1 47 47 ILE HB H 1 1.942 0.02 . 1 . . . . 47 ILE HB . 16153 1 609 . 1 1 47 47 ILE HD11 H 1 0.599 0.02 . 1 . . . . 47 ILE HD1 . 16153 1 610 . 1 1 47 47 ILE HD12 H 1 0.599 0.02 . 1 . . . . 47 ILE HD1 . 16153 1 611 . 1 1 47 47 ILE HD13 H 1 0.599 0.02 . 1 . . . . 47 ILE HD1 . 16153 1 612 . 1 1 47 47 ILE HG12 H 1 0.902 0.02 . 2 . . . . 47 ILE HG12 . 16153 1 613 . 1 1 47 47 ILE HG13 H 1 1.645 0.02 . 2 . . . . 47 ILE HG13 . 16153 1 614 . 1 1 47 47 ILE HG21 H 1 0.804 0.02 . 1 . . . . 47 ILE HG2 . 16153 1 615 . 1 1 47 47 ILE HG22 H 1 0.804 0.02 . 1 . . . . 47 ILE HG2 . 16153 1 616 . 1 1 47 47 ILE HG23 H 1 0.804 0.02 . 1 . . . . 47 ILE HG2 . 16153 1 617 . 1 1 47 47 ILE C C 13 177.000 0.4 . 1 . . . . 47 ILE C . 16153 1 618 . 1 1 47 47 ILE CA C 13 65.110 0.4 . 1 . . . . 47 ILE CA . 16153 1 619 . 1 1 47 47 ILE CB C 13 37.522 0.4 . 1 . . . . 47 ILE CB . 16153 1 620 . 1 1 47 47 ILE CD1 C 13 13.689 0.4 . 1 . . . . 47 ILE CD1 . 16153 1 621 . 1 1 47 47 ILE CG1 C 13 29.030 0.4 . 1 . . . . 47 ILE CG1 . 16153 1 622 . 1 1 47 47 ILE CG2 C 13 18.592 0.4 . 1 . . . . 47 ILE CG2 . 16153 1 623 . 1 1 47 47 ILE N N 15 120.499 0.25 . 1 . . . . 47 ILE N . 16153 1 624 . 1 1 48 48 LYS H H 1 8.546 0.02 . 1 . . . . 48 LYS H . 16153 1 625 . 1 1 48 48 LYS HA H 1 3.763 0.02 . 1 . . . . 48 LYS HA . 16153 1 626 . 1 1 48 48 LYS HB2 H 1 1.952 0.02 . 2 . . . . 48 LYS HB2 . 16153 1 627 . 1 1 48 48 LYS HB3 H 1 1.685 0.02 . 2 . . . . 48 LYS HB3 . 16153 1 628 . 1 1 48 48 LYS HD2 H 1 1.685 0.02 . 1 . . . . 48 LYS HD2 . 16153 1 629 . 1 1 48 48 LYS HD3 H 1 1.685 0.02 . 1 . . . . 48 LYS HD3 . 16153 1 630 . 1 1 48 48 LYS HE2 H 1 2.895 0.02 . 1 . . . . 48 LYS HE2 . 16153 1 631 . 1 1 48 48 LYS HE3 H 1 2.895 0.02 . 1 . . . . 48 LYS HE3 . 16153 1 632 . 1 1 48 48 LYS HG2 H 1 1.280 0.02 . 1 . . . . 48 LYS HG2 . 16153 1 633 . 1 1 48 48 LYS HG3 H 1 1.280 0.02 . 1 . . . . 48 LYS HG3 . 16153 1 634 . 1 1 48 48 LYS C C 13 179.400 0.4 . 1 . . . . 48 LYS C . 16153 1 635 . 1 1 48 48 LYS CA C 13 61.430 0.4 . 1 . . . . 48 LYS CA . 16153 1 636 . 1 1 48 48 LYS CB C 13 32.340 0.4 . 1 . . . . 48 LYS CB . 16153 1 637 . 1 1 48 48 LYS CD C 13 29.739 0.4 . 1 . . . . 48 LYS CD . 16153 1 638 . 1 1 48 48 LYS CE C 13 41.715 0.4 . 1 . . . . 48 LYS CE . 16153 1 639 . 1 1 48 48 LYS CG C 13 26.624 0.4 . 1 . . . . 48 LYS CG . 16153 1 640 . 1 1 48 48 LYS N N 15 121.030 0.25 . 1 . . . . 48 LYS N . 16153 1 641 . 1 1 49 49 GLU H H 1 8.518 0.02 . 1 . . . . 49 GLU H . 16153 1 642 . 1 1 49 49 GLU HA H 1 3.979 0.02 . 1 . . . . 49 GLU HA . 16153 1 643 . 1 1 49 49 GLU HB2 H 1 2.107 0.02 . 1 . . . . 49 GLU HB2 . 16153 1 644 . 1 1 49 49 GLU HB3 H 1 2.107 0.02 . 1 . . . . 49 GLU HB3 . 16153 1 645 . 1 1 49 49 GLU HG2 H 1 2.299 0.02 . 2 . . . . 49 GLU HG2 . 16153 1 646 . 1 1 49 49 GLU HG3 H 1 2.735 0.02 . 2 . . . . 49 GLU HG3 . 16153 1 647 . 1 1 49 49 GLU C C 13 178.400 0.4 . 1 . . . . 49 GLU C . 16153 1 648 . 1 1 49 49 GLU CA C 13 60.230 0.4 . 1 . . . . 49 GLU CA . 16153 1 649 . 1 1 49 49 GLU CB C 13 29.960 0.4 . 1 . . . . 49 GLU CB . 16153 1 650 . 1 1 49 49 GLU CG C 13 37.406 0.4 . 1 . . . . 49 GLU CG . 16153 1 651 . 1 1 49 49 GLU N N 15 118.574 0.25 . 1 . . . . 49 GLU N . 16153 1 652 . 1 1 50 50 TYR H H 1 7.980 0.02 . 1 . . . . 50 TYR H . 16153 1 653 . 1 1 50 50 TYR HA H 1 4.160 0.02 . 1 . . . . 50 TYR HA . 16153 1 654 . 1 1 50 50 TYR HB2 H 1 3.141 0.02 . 1 . . . . 50 TYR HB2 . 16153 1 655 . 1 1 50 50 TYR HB3 H 1 3.141 0.02 . 1 . . . . 50 TYR HB3 . 16153 1 656 . 1 1 50 50 TYR HD1 H 1 6.625 0.02 . 3 . . . . 50 TYR HD . 16153 1 657 . 1 1 50 50 TYR HD2 H 1 6.625 0.02 . 3 . . . . 50 TYR HD . 16153 1 658 . 1 1 50 50 TYR HE1 H 1 6.417 0.02 . 3 . . . . 50 TYR HE . 16153 1 659 . 1 1 50 50 TYR HE2 H 1 6.417 0.02 . 3 . . . . 50 TYR HE . 16153 1 660 . 1 1 50 50 TYR C C 13 178.000 0.4 . 1 . . . . 50 TYR C . 16153 1 661 . 1 1 50 50 TYR CA C 13 60.670 0.4 . 1 . . . . 50 TYR CA . 16153 1 662 . 1 1 50 50 TYR CB C 13 39.550 0.4 . 1 . . . . 50 TYR CB . 16153 1 663 . 1 1 50 50 TYR CD1 C 13 132.165 0.4 . 3 . . . . 50 TYR CD . 16153 1 664 . 1 1 50 50 TYR CD2 C 13 132.165 0.4 . 3 . . . . 50 TYR CD . 16153 1 665 . 1 1 50 50 TYR CE1 C 13 117.790 0.4 . 3 . . . . 50 TYR CE . 16153 1 666 . 1 1 50 50 TYR CE2 C 13 117.790 0.4 . 3 . . . . 50 TYR CE . 16153 1 667 . 1 1 50 50 TYR N N 15 121.810 0.25 . 1 . . . . 50 TYR N . 16153 1 668 . 1 1 51 51 LEU H H 1 8.342 0.02 . 1 . . . . 51 LEU H . 16153 1 669 . 1 1 51 51 LEU HA H 1 3.464 0.02 . 1 . . . . 51 LEU HA . 16153 1 670 . 1 1 51 51 LEU HB2 H 1 1.073 0.02 . 2 . . . . 51 LEU HB2 . 16153 1 671 . 1 1 51 51 LEU HB3 H 1 1.750 0.02 . 2 . . . . 51 LEU HB3 . 16153 1 672 . 1 1 51 51 LEU HD11 H 1 0.465 0.02 . 2 . . . . 51 LEU HD1 . 16153 1 673 . 1 1 51 51 LEU HD12 H 1 0.465 0.02 . 2 . . . . 51 LEU HD1 . 16153 1 674 . 1 1 51 51 LEU HD13 H 1 0.465 0.02 . 2 . . . . 51 LEU HD1 . 16153 1 675 . 1 1 51 51 LEU HD21 H 1 0.645 0.02 . 2 . . . . 51 LEU HD2 . 16153 1 676 . 1 1 51 51 LEU HD22 H 1 0.645 0.02 . 2 . . . . 51 LEU HD2 . 16153 1 677 . 1 1 51 51 LEU HD23 H 1 0.645 0.02 . 2 . . . . 51 LEU HD2 . 16153 1 678 . 1 1 51 51 LEU HG H 1 1.807 0.02 . 1 . . . . 51 LEU HG . 16153 1 679 . 1 1 51 51 LEU C C 13 179.600 0.4 . 1 . . . . 51 LEU C . 16153 1 680 . 1 1 51 51 LEU CA C 13 57.140 0.4 . 1 . . . . 51 LEU CA . 16153 1 681 . 1 1 51 51 LEU CB C 13 41.780 0.4 . 1 . . . . 51 LEU CB . 16153 1 682 . 1 1 51 51 LEU CD1 C 13 22.122 0.4 . 2 . . . . 51 LEU CD1 . 16153 1 683 . 1 1 51 51 LEU CD2 C 13 26.431 0.4 . 2 . . . . 51 LEU CD2 . 16153 1 684 . 1 1 51 51 LEU CG C 13 26.439 0.4 . 1 . . . . 51 LEU CG . 16153 1 685 . 1 1 51 51 LEU N N 15 117.934 0.25 . 1 . . . . 51 LEU N . 16153 1 686 . 1 1 52 52 GLN H H 1 8.397 0.02 . 1 . . . . 52 GLN H . 16153 1 687 . 1 1 52 52 GLN HA H 1 4.052 0.02 . 1 . . . . 52 GLN HA . 16153 1 688 . 1 1 52 52 GLN HB2 H 1 2.097 0.02 . 2 . . . . 52 GLN HB2 . 16153 1 689 . 1 1 52 52 GLN HB3 H 1 2.196 0.02 . 2 . . . . 52 GLN HB3 . 16153 1 690 . 1 1 52 52 GLN HE21 H 1 6.868 0.02 . 1 . . . . 52 GLN HE21 . 16153 1 691 . 1 1 52 52 GLN HE22 H 1 7.469 0.02 . 1 . . . . 52 GLN HE22 . 16153 1 692 . 1 1 52 52 GLN HG2 H 1 2.364 0.02 . 2 . . . . 52 GLN HG2 . 16153 1 693 . 1 1 52 52 GLN HG3 H 1 2.452 0.02 . 2 . . . . 52 GLN HG3 . 16153 1 694 . 1 1 52 52 GLN C C 13 179.500 0.4 . 1 . . . . 52 GLN C . 16153 1 695 . 1 1 52 52 GLN CA C 13 59.140 0.4 . 1 . . . . 52 GLN CA . 16153 1 696 . 1 1 52 52 GLN CB C 13 28.230 0.4 . 1 . . . . 52 GLN CB . 16153 1 697 . 1 1 52 52 GLN CD C 13 178.535 0.4 . 1 . . . . 52 GLN CD . 16153 1 698 . 1 1 52 52 GLN CG C 13 33.840 0.4 . 1 . . . . 52 GLN CG . 16153 1 699 . 1 1 52 52 GLN N N 15 120.458 0.25 . 1 . . . . 52 GLN N . 16153 1 700 . 1 1 52 52 GLN NE2 N 15 111.517 0.25 . 1 . . . . 52 GLN NE2 . 16153 1 701 . 1 1 53 53 LYS H H 1 7.534 0.02 . 1 . . . . 53 LYS H . 16153 1 702 . 1 1 53 53 LYS HA H 1 4.038 0.02 . 1 . . . . 53 LYS HA . 16153 1 703 . 1 1 53 53 LYS HB2 H 1 1.750 0.02 . 2 . . . . 53 LYS HB2 . 16153 1 704 . 1 1 53 53 LYS HB3 H 1 1.829 0.02 . 2 . . . . 53 LYS HB3 . 16153 1 705 . 1 1 53 53 LYS HD2 H 1 1.653 0.02 . 1 . . . . 53 LYS HD2 . 16153 1 706 . 1 1 53 53 LYS HD3 H 1 1.653 0.02 . 1 . . . . 53 LYS HD3 . 16153 1 707 . 1 1 53 53 LYS HE2 H 1 2.894 0.02 . 1 . . . . 53 LYS HE2 . 16153 1 708 . 1 1 53 53 LYS HE3 H 1 2.894 0.02 . 1 . . . . 53 LYS HE3 . 16153 1 709 . 1 1 53 53 LYS HG2 H 1 1.483 0.02 . 2 . . . . 53 LYS HG2 . 16153 1 710 . 1 1 53 53 LYS HG3 H 1 1.363 0.02 . 2 . . . . 53 LYS HG3 . 16153 1 711 . 1 1 53 53 LYS C C 13 176.900 0.4 . 1 . . . . 53 LYS C . 16153 1 712 . 1 1 53 53 LYS CA C 13 58.330 0.4 . 1 . . . . 53 LYS CA . 16153 1 713 . 1 1 53 53 LYS CB C 13 32.720 0.4 . 1 . . . . 53 LYS CB . 16153 1 714 . 1 1 53 53 LYS CD C 13 29.361 0.4 . 1 . . . . 53 LYS CD . 16153 1 715 . 1 1 53 53 LYS CE C 13 42.006 0.4 . 1 . . . . 53 LYS CE . 16153 1 716 . 1 1 53 53 LYS CG C 13 24.993 0.4 . 1 . . . . 53 LYS CG . 16153 1 717 . 1 1 53 53 LYS N N 15 118.094 0.25 . 1 . . . . 53 LYS N . 16153 1 718 . 1 1 54 54 ARG H H 1 6.789 0.02 . 1 . . . . 54 ARG H . 16153 1 719 . 1 1 54 54 ARG HA H 1 4.155 0.02 . 1 . . . . 54 ARG HA . 16153 1 720 . 1 1 54 54 ARG HB2 H 1 0.631 0.02 . 2 . . . . 54 ARG HB2 . 16153 1 721 . 1 1 54 54 ARG HB3 H 1 2.097 0.02 . 2 . . . . 54 ARG HB3 . 16153 1 722 . 1 1 54 54 ARG HD2 H 1 1.467 0.02 . 2 . . . . 54 ARG HD2 . 16153 1 723 . 1 1 54 54 ARG HD3 H 1 2.539 0.02 . 2 . . . . 54 ARG HD3 . 16153 1 724 . 1 1 54 54 ARG HE H 1 6.978 0.02 . 1 . . . . 54 ARG HE . 16153 1 725 . 1 1 54 54 ARG HG2 H 1 1.135 0.02 . 2 . . . . 54 ARG HG2 . 16153 1 726 . 1 1 54 54 ARG HG3 H 1 1.323 0.02 . 2 . . . . 54 ARG HG3 . 16153 1 727 . 1 1 54 54 ARG C C 13 174.500 0.4 . 1 . . . . 54 ARG C . 16153 1 728 . 1 1 54 54 ARG CA C 13 55.560 0.4 . 1 . . . . 54 ARG CA . 16153 1 729 . 1 1 54 54 ARG CB C 13 29.660 0.4 . 1 . . . . 54 ARG CB . 16153 1 730 . 1 1 54 54 ARG CD C 13 41.065 0.4 . 1 . . . . 54 ARG CD . 16153 1 731 . 1 1 54 54 ARG CG C 13 28.299 0.4 . 1 . . . . 54 ARG CG . 16153 1 732 . 1 1 54 54 ARG N N 15 116.828 0.25 . 1 . . . . 54 ARG N . 16153 1 733 . 1 1 54 54 ARG NE N 15 87.217 0.25 . 1 . . . . 54 ARG NE . 16153 1 734 . 1 1 55 55 ASN H H 1 7.651 0.02 . 1 . . . . 55 ASN H . 16153 1 735 . 1 1 55 55 ASN HA H 1 4.456 0.02 . 1 . . . . 55 ASN HA . 16153 1 736 . 1 1 55 55 ASN HB2 H 1 2.792 0.02 . 2 . . . . 55 ASN HB2 . 16153 1 737 . 1 1 55 55 ASN HB3 H 1 3.086 0.02 . 2 . . . . 55 ASN HB3 . 16153 1 738 . 1 1 55 55 ASN HD21 H 1 6.804 0.02 . 1 . . . . 55 ASN HD21 . 16153 1 739 . 1 1 55 55 ASN HD22 H 1 7.524 0.02 . 1 . . . . 55 ASN HD22 . 16153 1 740 . 1 1 55 55 ASN C C 13 174.100 0.4 . 1 . . . . 55 ASN C . 16153 1 741 . 1 1 55 55 ASN CA C 13 54.760 0.4 . 1 . . . . 55 ASN CA . 16153 1 742 . 1 1 55 55 ASN CB C 13 37.370 0.4 . 1 . . . . 55 ASN CB . 16153 1 743 . 1 1 55 55 ASN CG C 13 178.484 0.4 . 1 . . . . 55 ASN CG . 16153 1 744 . 1 1 55 55 ASN N N 15 115.626 0.25 . 1 . . . . 55 ASN N . 16153 1 745 . 1 1 55 55 ASN ND2 N 15 112.455 0.25 . 1 . . . . 55 ASN ND2 . 16153 1 746 . 1 1 56 56 GLY H H 1 8.297 0.02 . 1 . . . . 56 GLY H . 16153 1 747 . 1 1 56 56 GLY HA2 H 1 3.108 0.02 . 2 . . . . 56 GLY HA2 . 16153 1 748 . 1 1 56 56 GLY HA3 H 1 4.352 0.02 . 2 . . . . 56 GLY HA3 . 16153 1 749 . 1 1 56 56 GLY CA C 13 45.540 0.4 . 1 . . . . 56 GLY CA . 16153 1 750 . 1 1 56 56 GLY N N 15 112.201 0.25 . 1 . . . . 56 GLY N . 16153 1 stop_ save_