data_19429 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19429 _Entry.Title ; A bacteriophage transcription regulator inhibits bacterial transcription initiation by -factor displacement ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-15 _Entry.Accession_date 2013-08-15 _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 Bing Liu . . . 19429 2 Andrey Shadrin . . . 19429 3 Carol Sheppard . . . 19429 4 Yingqi Xu . . . 19429 5 Konstantin Severinov . . . 19429 6 Steve Matthews . . . 19429 7 Sivaramesh Wigneshweraraj . . . 19429 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' . 19429 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'beta prime subunit' . 19429 NTD . 19429 p7 . 19429 RNAP . 19429 'sigma factor' . 19429 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19429 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 289 19429 '15N chemical shifts' 66 19429 '1H chemical shifts' 464 19429 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 . . 2014-05-02 2013-08-15 update BMRB 'update entry citation' 19429 1 . . 2014-02-12 2013-08-15 original author 'original release' 19429 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19428 'A bacteriophage transcription regulator' 19429 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19429 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24482445 _Citation.Full_citation . _Citation.Title 'A bacteriophage transcription regulator inhibits bacterial transcription initiation by -factor displacement.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 42 _Citation.Journal_issue 7 _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 4294 _Citation.Page_last 4305 _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 Bing Liu . . . 19429 1 2 Andrey Shadrin . . . 19429 1 3 Carol Sheppard . . . 19429 1 4 Vladimir Mekler . . . 19429 1 5 Yingqi Xu . . . 19429 1 6 Konstantin Severinov . . . 19429 1 7 Steve Matthews . . . 19429 1 8 Sivaramesh Wigneshweraraj . . . 19429 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19429 _Assembly.ID 1 _Assembly.Name 'bacteriophage transcription regulator complex with p7 peptide' _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 $entity_1 A . yes native no no . . . 19429 1 2 entity_2 2 $entity_2 B . yes native no no . . . 19429 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19429 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; NEFTQISGYVNAFGSQRGSV LTVKVENDEGWTLVEEDFDR ADYGSDPEFVAEVSSYLKRN GGIKDLT ; _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8189.045 _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 BMRB 19428 . entity . . . . . 100.00 71 100.00 100.00 9.70e-40 . . . . 19429 1 2 no PDB 2MC5 . "A Bacteriophage Transcription Regulator Inhibits Bacterial Transcription Initiation By -factor Displacement" . . . . . 100.00 73 100.00 100.00 9.69e-40 . . . . 19429 1 3 no PDB 2MC6 . "A Bacteriophage Transcription Regulator Inhibits Bacterial Transcription Initiation By Sigma-factor Displacement" . . . . . 100.00 73 100.00 100.00 9.69e-40 . . . . 19429 1 4 no GB AAM74072 . "RNA polymerase inhibitor p7 [Xanthomonas phage Xp10]" . . . . . 100.00 73 100.00 100.00 9.69e-40 . . . . 19429 1 5 no GB AAP58713 . "45L [Xanthomonas phage Xp10]" . . . . . 100.00 73 100.00 100.00 9.69e-40 . . . . 19429 1 6 no REF NP_858993 . "7K protein; inhibitor of transcription initiation and antiterminator [Xanthomonas phage Xp10]" . . . . . 100.00 73 100.00 100.00 9.69e-40 . . . . 19429 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 . ASN . 19429 1 2 . GLU . 19429 1 3 . PHE . 19429 1 4 . THR . 19429 1 5 . GLN . 19429 1 6 . ILE . 19429 1 7 . SER . 19429 1 8 . GLY . 19429 1 9 . TYR . 19429 1 10 . VAL . 19429 1 11 . ASN . 19429 1 12 . ALA . 19429 1 13 . PHE . 19429 1 14 . GLY . 19429 1 15 . SER . 19429 1 16 . GLN . 19429 1 17 . ARG . 19429 1 18 . GLY . 19429 1 19 . SER . 19429 1 20 . VAL . 19429 1 21 . LEU . 19429 1 22 . THR . 19429 1 23 . VAL . 19429 1 24 . LYS . 19429 1 25 . VAL . 19429 1 26 . GLU . 19429 1 27 . ASN . 19429 1 28 . ASP . 19429 1 29 . GLU . 19429 1 30 . GLY . 19429 1 31 . TRP . 19429 1 32 . THR . 19429 1 33 . LEU . 19429 1 34 . VAL . 19429 1 35 . GLU . 19429 1 36 . GLU . 19429 1 37 . ASP . 19429 1 38 . PHE . 19429 1 39 . ASP . 19429 1 40 . ARG . 19429 1 41 . ALA . 19429 1 42 . ASP . 19429 1 43 . TYR . 19429 1 44 . GLY . 19429 1 45 . SER . 19429 1 46 . ASP . 19429 1 47 . PRO . 19429 1 48 . GLU . 19429 1 49 . PHE . 19429 1 50 . VAL . 19429 1 51 . ALA . 19429 1 52 . GLU . 19429 1 53 . VAL . 19429 1 54 . SER . 19429 1 55 . SER . 19429 1 56 . TYR . 19429 1 57 . LEU . 19429 1 58 . LYS . 19429 1 59 . ARG . 19429 1 60 . ASN . 19429 1 61 . GLY . 19429 1 62 . GLY . 19429 1 63 . ILE . 19429 1 64 . LYS . 19429 1 65 . ASP . 19429 1 66 . LEU . 19429 1 67 . THR . 19429 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 . ASN 1 1 19429 1 . GLU 2 2 19429 1 . PHE 3 3 19429 1 . THR 4 4 19429 1 . GLN 5 5 19429 1 . ILE 6 6 19429 1 . SER 7 7 19429 1 . GLY 8 8 19429 1 . TYR 9 9 19429 1 . VAL 10 10 19429 1 . ASN 11 11 19429 1 . ALA 12 12 19429 1 . PHE 13 13 19429 1 . GLY 14 14 19429 1 . SER 15 15 19429 1 . GLN 16 16 19429 1 . ARG 17 17 19429 1 . GLY 18 18 19429 1 . SER 19 19 19429 1 . VAL 20 20 19429 1 . LEU 21 21 19429 1 . THR 22 22 19429 1 . VAL 23 23 19429 1 . LYS 24 24 19429 1 . VAL 25 25 19429 1 . GLU 26 26 19429 1 . ASN 27 27 19429 1 . ASP 28 28 19429 1 . GLU 29 29 19429 1 . GLY 30 30 19429 1 . TRP 31 31 19429 1 . THR 32 32 19429 1 . LEU 33 33 19429 1 . VAL 34 34 19429 1 . GLU 35 35 19429 1 . GLU 36 36 19429 1 . ASP 37 37 19429 1 . PHE 38 38 19429 1 . ASP 39 39 19429 1 . ARG 40 40 19429 1 . ALA 41 41 19429 1 . ASP 42 42 19429 1 . TYR 43 43 19429 1 . GLY 44 44 19429 1 . SER 45 45 19429 1 . ASP 46 46 19429 1 . PRO 47 47 19429 1 . GLU 48 48 19429 1 . PHE 49 49 19429 1 . VAL 50 50 19429 1 . ALA 51 51 19429 1 . GLU 52 52 19429 1 . VAL 53 53 19429 1 . SER 54 54 19429 1 . SER 55 55 19429 1 . TYR 56 56 19429 1 . LEU 57 57 19429 1 . LYS 58 58 19429 1 . ARG 59 59 19429 1 . ASN 60 60 19429 1 . GLY 61 61 19429 1 . GLY 62 62 19429 1 . ILE 63 63 19429 1 . LYS 64 64 19429 1 . ASP 65 65 19429 1 . LEU 66 66 19429 1 . THR 67 67 19429 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 19429 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code DLLNLFNQ _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 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1236.468 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ASP . 19429 2 2 . LEU . 19429 2 3 . LEU . 19429 2 4 . ASN . 19429 2 5 . LEU . 19429 2 6 . PHE . 19429 2 7 . ASN . 19429 2 8 . GLN . 19429 2 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 . ASP 1 1 19429 2 . LEU 2 2 19429 2 . LEU 3 3 19429 2 . ASN 4 4 19429 2 . LEU 5 5 19429 2 . PHE 6 6 19429 2 . ASN 7 7 19429 2 . GLN 8 8 19429 2 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 19429 _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 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19429 1 2 2 $entity_2 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19429 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 19429 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet46 . . . . . . 19429 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19429 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19429 _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 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19429 1 2 'potassium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 19429 1 3 entity_1 'natural abundance' . . 1 $entity_1 . . 5 . . mM . . . . 19429 1 4 entity_2 'natural abundance' . . 2 $entity_2 . . 5 . . mM . . . . 19429 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19429 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19429 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19429 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19429 2 2 'potassium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 19429 2 3 entity_1 'natural abundance' . . 1 $entity_1 . . 5 . . mM . . . . 19429 2 4 entity_2 'natural abundance' . . 2 $entity_2 . . 5 . . mM . . . . 19429 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19429 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19429 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 19429 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 19429 1 pH 8.7 . pH 19429 1 pressure 1 . atm 19429 1 temperature 283 . K 19429 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19429 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19429 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19429 1 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 19429 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19429 _NMR_spectrometer.ID 2 _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 19429 _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 . 800 . . . 19429 1 2 spectrometer_2 Bruker DRX . 600 . . . 19429 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 19429 _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 . . . . . . . . . . . . . . . . 19429 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19429 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19429 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19429 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19429 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19429 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19429 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19429 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19429 1 10 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19429 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19429 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 19429 _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 H 1 water protons . . . . ppm 4.8 internal direct 1.0 . . . . . . . . . 19429 1 stop_ save_ save_chemical_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_2 _Chem_shift_reference.Entry_ID 19429 _Chem_shift_reference.ID 2 _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 H 1 water protons . . . . ppm 4.8 internal direct 1.0 . . . . . . . . . 19429 2 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 19429 _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 '3D 1H-13C NOESY' . . . 19429 1 2 '3D 1H-15N NOESY' . . . 19429 1 3 '3D CBCA(CO)NH' . . . 19429 1 4 '3D HNCACB' . . . 19429 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 ASN H H 1 7.479 . . . . . . A 1 ASN H . 19429 1 2 . 1 1 1 1 ASN HA H 1 4.413 . . . . . . A 1 ASN HA . 19429 1 3 . 1 1 1 1 ASN HB2 H 1 2.432 . . . . . . A 1 ASN HB2 . 19429 1 4 . 1 1 1 1 ASN HB3 H 1 2.432 . . . . . . A 1 ASN HB3 . 19429 1 5 . 1 1 1 1 ASN HD21 H 1 7.45 . . . . . . A 1 ASN HD21 . 19429 1 6 . 1 1 1 1 ASN HD22 H 1 7.45 . . . . . . A 1 ASN HD22 . 19429 1 7 . 1 1 1 1 ASN C C 13 174.587 . . . . . . A 1 ASN C . 19429 1 8 . 1 1 1 1 ASN CA C 13 52.858 . . . . . . A 1 ASN CA . 19429 1 9 . 1 1 1 1 ASN CB C 13 38.632 . . . . . . A 1 ASN CB . 19429 1 10 . 1 1 1 1 ASN N N 15 113.128 . . . . . . A 1 ASN N . 19429 1 11 . 1 1 1 1 ASN ND2 N 15 113.335 . . . . . . A 1 ASN ND2 . 19429 1 12 . 1 1 2 2 GLU H H 1 8.232 . . . . . . A 2 GLU H . 19429 1 13 . 1 1 2 2 GLU HA H 1 4.133 . . . . . . A 2 GLU HA . 19429 1 14 . 1 1 2 2 GLU HB2 H 1 1.681 . . . . . . A 2 GLU HB2 . 19429 1 15 . 1 1 2 2 GLU HB3 H 1 1.831 . . . . . . A 2 GLU HB3 . 19429 1 16 . 1 1 2 2 GLU HG2 H 1 2.018 . . . . . . A 2 GLU HG2 . 19429 1 17 . 1 1 2 2 GLU HG3 H 1 2.018 . . . . . . A 2 GLU HG3 . 19429 1 18 . 1 1 2 2 GLU C C 13 175.846 . . . . . . A 2 GLU C . 19429 1 19 . 1 1 2 2 GLU CA C 13 55.900 . . . . . . A 2 GLU CA . 19429 1 20 . 1 1 2 2 GLU CB C 13 30.399 . . . . . . A 2 GLU CB . 19429 1 21 . 1 1 2 2 GLU CG C 13 36.283 . . . . . . A 2 GLU CG . 19429 1 22 . 1 1 2 2 GLU N N 15 121.946 . . . . . . A 2 GLU N . 19429 1 23 . 1 1 3 3 PHE H H 1 8.684 . . . . . . A 3 PHE H . 19429 1 24 . 1 1 3 3 PHE HA H 1 4.473 . . . . . . A 3 PHE HA . 19429 1 25 . 1 1 3 3 PHE HB2 H 1 2.747 . . . . . . A 3 PHE HB2 . 19429 1 26 . 1 1 3 3 PHE HB3 H 1 4.473 . . . . . . A 3 PHE HB3 . 19429 1 27 . 1 1 3 3 PHE HD1 H 1 6.796 . . . . . . A 3 PHE HD1 . 19429 1 28 . 1 1 3 3 PHE HD2 H 1 6.796 . . . . . . A 3 PHE HD2 . 19429 1 29 . 1 1 3 3 PHE HE1 H 1 6.991 . . . . . . A 3 PHE HE1 . 19429 1 30 . 1 1 3 3 PHE HE2 H 1 6.991 . . . . . . A 3 PHE HE2 . 19429 1 31 . 1 1 3 3 PHE HZ H 1 6.547 . . . . . . A 3 PHE HZ . 19429 1 32 . 1 1 3 3 PHE C C 13 176.091 . . . . . . A 3 PHE C . 19429 1 33 . 1 1 3 3 PHE CA C 13 58.001 . . . . . . A 3 PHE CA . 19429 1 34 . 1 1 3 3 PHE CB C 13 40.910 . . . . . . A 3 PHE CB . 19429 1 35 . 1 1 3 3 PHE CD1 C 13 131.394 . . . . . . A 3 PHE CD1 . 19429 1 36 . 1 1 3 3 PHE CD2 C 13 131.394 . . . . . . A 3 PHE CD2 . 19429 1 37 . 1 1 3 3 PHE CE1 C 13 130.847 . . . . . . A 3 PHE CE1 . 19429 1 38 . 1 1 3 3 PHE CE2 C 13 130.847 . . . . . . A 3 PHE CE2 . 19429 1 39 . 1 1 3 3 PHE CZ C 13 130.301 . . . . . . A 3 PHE CZ . 19429 1 40 . 1 1 3 3 PHE N N 15 121.83 . . . . . . A 3 PHE N . 19429 1 41 . 1 1 4 4 THR H H 1 9.003 . . . . . . A 4 THR H . 19429 1 42 . 1 1 4 4 THR HA H 1 4.525 . . . . . . A 4 THR HA . 19429 1 43 . 1 1 4 4 THR HB H 1 3.807 . . . . . . A 4 THR HB . 19429 1 44 . 1 1 4 4 THR HG21 H 1 1.138 . . . . . . A 4 THR HG21 . 19429 1 45 . 1 1 4 4 THR HG22 H 1 1.138 . . . . . . A 4 THR HG22 . 19429 1 46 . 1 1 4 4 THR HG23 H 1 1.138 . . . . . . A 4 THR HG23 . 19429 1 47 . 1 1 4 4 THR C C 13 173.064 . . . . . . A 4 THR C . 19429 1 48 . 1 1 4 4 THR CA C 13 60.998 . . . . . . A 4 THR CA . 19429 1 49 . 1 1 4 4 THR CB C 13 71.506 . . . . . . A 4 THR CB . 19429 1 50 . 1 1 4 4 THR CG2 C 13 21.230 . . . . . . A 4 THR CG2 . 19429 1 51 . 1 1 4 4 THR N N 15 116.472 . . . . . . A 4 THR N . 19429 1 52 . 1 1 5 5 GLN H H 1 8.979 . . . . . . A 5 GLN H . 19429 1 53 . 1 1 5 5 GLN HA H 1 3.546 . . . . . . A 5 GLN HA . 19429 1 54 . 1 1 5 5 GLN HB2 H 1 1.718 . . . . . . A 5 GLN HB2 . 19429 1 55 . 1 1 5 5 GLN HB3 H 1 1.718 . . . . . . A 5 GLN HB3 . 19429 1 56 . 1 1 5 5 GLN HG2 H 1 1.472 . . . . . . A 5 GLN HG2 . 19429 1 57 . 1 1 5 5 GLN HG3 H 1 1.925 . . . . . . A 5 GLN HG3 . 19429 1 58 . 1 1 5 5 GLN C C 13 175.376 . . . . . . A 5 GLN C . 19429 1 59 . 1 1 5 5 GLN CA C 13 57.298 . . . . . . A 5 GLN CA . 19429 1 60 . 1 1 5 5 GLN CB C 13 28.771 . . . . . . A 5 GLN CB . 19429 1 61 . 1 1 5 5 GLN CG C 13 32.850 . . . . . . A 5 GLN CG . 19429 1 62 . 1 1 5 5 GLN N N 15 127.991 . . . . . . A 5 GLN N . 19429 1 63 . 1 1 6 6 ILE H H 1 8.121 . . . . . . A 6 ILE H . 19429 1 64 . 1 1 6 6 ILE HA H 1 3.497 . . . . . . A 6 ILE HA . 19429 1 65 . 1 1 6 6 ILE HB H 1 0.866 . . . . . . A 6 ILE HB . 19429 1 66 . 1 1 6 6 ILE HG12 H 1 0.312 . . . . . . A 6 ILE HG12 . 19429 1 67 . 1 1 6 6 ILE HG13 H 1 1.000 . . . . . . A 6 ILE HG13 . 19429 1 68 . 1 1 6 6 ILE HG21 H 1 0.145 . . . . . . A 6 ILE HG21 . 19429 1 69 . 1 1 6 6 ILE HG22 H 1 0.145 . . . . . . A 6 ILE HG22 . 19429 1 70 . 1 1 6 6 ILE HG23 H 1 0.145 . . . . . . A 6 ILE HG23 . 19429 1 71 . 1 1 6 6 ILE HD11 H 1 -0.060 . . . . . . A 6 ILE HD11 . 19429 1 72 . 1 1 6 6 ILE HD12 H 1 -0.060 . . . . . . A 6 ILE HD12 . 19429 1 73 . 1 1 6 6 ILE HD13 H 1 -0.060 . . . . . . A 6 ILE HD13 . 19429 1 74 . 1 1 6 6 ILE C C 13 175.226 . . . . . . A 6 ILE C . 19429 1 75 . 1 1 6 6 ILE CA C 13 61.695 . . . . . . A 6 ILE CA . 19429 1 76 . 1 1 6 6 ILE CB C 13 37.130 . . . . . . A 6 ILE CB . 19429 1 77 . 1 1 6 6 ILE CG1 C 13 27.964 . . . . . . A 6 ILE CG1 . 19429 1 78 . 1 1 6 6 ILE CG2 C 13 16.406 . . . . . . A 6 ILE CG2 . 19429 1 79 . 1 1 6 6 ILE CD1 C 13 12.584 . . . . . . A 6 ILE CD1 . 19429 1 80 . 1 1 6 6 ILE N N 15 129.683 . . . . . . A 6 ILE N . 19429 1 81 . 1 1 7 7 SER H H 1 8.453 . . . . . . A 7 SER H . 19429 1 82 . 1 1 7 7 SER HA H 1 3.881 . . . . . . A 7 SER HA . 19429 1 83 . 1 1 7 7 SER HB2 H 1 3.532 . . . . . . A 7 SER HB2 . 19429 1 84 . 1 1 7 7 SER HB3 H 1 3.682 . . . . . . A 7 SER HB3 . 19429 1 85 . 1 1 7 7 SER C C 13 174.662 . . . . . . A 7 SER C . 19429 1 86 . 1 1 7 7 SER CA C 13 60.176 . . . . . . A 7 SER CA . 19429 1 87 . 1 1 7 7 SER CB C 13 63.054 . . . . . . A 7 SER CB . 19429 1 88 . 1 1 7 7 SER N N 15 122.732 . . . . . . A 7 SER N . 19429 1 89 . 1 1 8 8 GLY H H 1 8.476 . . . . . . A 8 GLY H . 19429 1 90 . 1 1 8 8 GLY HA2 H 1 3.317 . . . . . . A 8 GLY HA2 . 19429 1 91 . 1 1 8 8 GLY HA3 H 1 4.028 . . . . . . A 8 GLY HA3 . 19429 1 92 . 1 1 8 8 GLY C C 13 174.286 . . . . . . A 8 GLY C . 19429 1 93 . 1 1 8 8 GLY CA C 13 44.635 . . . . . . A 8 GLY CA . 19429 1 94 . 1 1 8 8 GLY N N 15 112.130 . . . . . . A 8 GLY N . 19429 1 95 . 1 1 9 9 TYR H H 1 8.208 . . . . . . A 9 TYR H . 19429 1 96 . 1 1 9 9 TYR HA H 1 4.916 . . . . . . A 9 TYR HA . 19429 1 97 . 1 1 9 9 TYR HB2 H 1 2.518 . . . . . . A 9 TYR HB2 . 19429 1 98 . 1 1 9 9 TYR HB3 H 1 2.681 . . . . . . A 9 TYR HB3 . 19429 1 99 . 1 1 9 9 TYR HD1 H 1 6.449 . . . . . . A 9 TYR HD1 . 19429 1 100 . 1 1 9 9 TYR HD2 H 1 6.455 . . . . . . A 9 TYR HD2 . 19429 1 101 . 1 1 9 9 TYR HE1 H 1 6.254 . . . . . . A 9 TYR HE1 . 19429 1 102 . 1 1 9 9 TYR HE2 H 1 6.260 . . . . . . A 9 TYR HE2 . 19429 1 103 . 1 1 9 9 TYR C C 13 175.320 . . . . . . A 9 TYR C . 19429 1 104 . 1 1 9 9 TYR CA C 13 57.463 . . . . . . A 9 TYR CA . 19429 1 105 . 1 1 9 9 TYR CB C 13 42.625 . . . . . . A 9 TYR CB . 19429 1 106 . 1 1 9 9 TYR CD1 C 13 132.979 . . . . . . A 9 TYR CD1 . 19429 1 107 . 1 1 9 9 TYR CD2 C 13 132.979 . . . . . . A 9 TYR CD2 . 19429 1 108 . 1 1 9 9 TYR CE1 C 13 117.717 . . . . . . A 9 TYR CE1 . 19429 1 109 . 1 1 9 9 TYR CE2 C 13 117.717 . . . . . . A 9 TYR CE2 . 19429 1 110 . 1 1 9 9 TYR N N 15 119.078 . . . . . . A 9 TYR N . 19429 1 111 . 1 1 10 10 VAL H H 1 8.546 . . . . . . A 10 VAL H . 19429 1 112 . 1 1 10 10 VAL HA H 1 3.856 . . . . . . A 10 VAL HA . 19429 1 113 . 1 1 10 10 VAL HB H 1 1.777 . . . . . . A 10 VAL HB . 19429 1 114 . 1 1 10 10 VAL HG11 H 1 0.668 . . . . . . A 10 VAL HG11 . 19429 1 115 . 1 1 10 10 VAL HG12 H 1 0.668 . . . . . . A 10 VAL HG12 . 19429 1 116 . 1 1 10 10 VAL HG13 H 1 0.668 . . . . . . A 10 VAL HG13 . 19429 1 117 . 1 1 10 10 VAL HG21 H 1 0.668 . . . . . . A 10 VAL HG21 . 19429 1 118 . 1 1 10 10 VAL HG22 H 1 0.668 . . . . . . A 10 VAL HG22 . 19429 1 119 . 1 1 10 10 VAL HG23 H 1 0.668 . . . . . . A 10 VAL HG23 . 19429 1 120 . 1 1 10 10 VAL C C 13 176.655 . . . . . . A 10 VAL C . 19429 1 121 . 1 1 10 10 VAL CA C 13 62.890 . . . . . . A 10 VAL CA . 19429 1 122 . 1 1 10 10 VAL CB C 13 32.794 . . . . . . A 10 VAL CB . 19429 1 123 . 1 1 10 10 VAL CG1 C 13 20.764 . . . . . . A 10 VAL CG1 . 19429 1 124 . 1 1 10 10 VAL CG2 C 13 20.582 . . . . . . A 10 VAL CG2 . 19429 1 125 . 1 1 10 10 VAL N N 15 115.648 . . . . . . A 10 VAL N . 19429 1 126 . 1 1 11 11 ASN H H 1 7.89 . . . . . . A 11 ASN H . 19429 1 127 . 1 1 11 11 ASN HA H 1 4.769 . . . . . . A 11 ASN HA . 19429 1 128 . 1 1 11 11 ASN HB2 H 1 2.396 . . . . . . A 11 ASN HB2 . 19429 1 129 . 1 1 11 11 ASN HB3 H 1 3.547 . . . . . . A 11 ASN HB3 . 19429 1 130 . 1 1 11 11 ASN C C 13 172.594 . . . . . . A 11 ASN C . 19429 1 131 . 1 1 11 11 ASN CA C 13 52.334 . . . . . . A 11 ASN CA . 19429 1 132 . 1 1 11 11 ASN CB C 13 38.386 . . . . . . A 11 ASN CB . 19429 1 133 . 1 1 11 11 ASN N N 15 116.0 . . . . . . A 11 ASN N . 19429 1 134 . 1 1 12 12 ALA H H 1 6.211 . . . . . . A 12 ALA H . 19429 1 135 . 1 1 12 12 ALA HA H 1 5.378 . . . . . . A 12 ALA HA . 19429 1 136 . 1 1 12 12 ALA HB1 H 1 0.577 . . . . . . A 12 ALA HB1 . 19429 1 137 . 1 1 12 12 ALA HB2 H 1 0.577 . . . . . . A 12 ALA HB2 . 19429 1 138 . 1 1 12 12 ALA HB3 H 1 0.577 . . . . . . A 12 ALA HB3 . 19429 1 139 . 1 1 12 12 ALA C C 13 174.718 . . . . . . A 12 ALA C . 19429 1 140 . 1 1 12 12 ALA CA C 13 49.135 . . . . . . A 12 ALA CA . 19429 1 141 . 1 1 12 12 ALA CB C 13 23.174 . . . . . . A 12 ALA CB . 19429 1 142 . 1 1 12 12 ALA N N 15 118.357 . . . . . . A 12 ALA N . 19429 1 143 . 1 1 13 13 PHE H H 1 8.840 . . . . . . A 13 PHE H . 19429 1 144 . 1 1 13 13 PHE HA H 1 4.952 . . . . . . A 13 PHE HA . 19429 1 145 . 1 1 13 13 PHE HB2 H 1 2.259 . . . . . . A 13 PHE HB2 . 19429 1 146 . 1 1 13 13 PHE HB3 H 1 2.719 . . . . . . A 13 PHE HB3 . 19429 1 147 . 1 1 13 13 PHE HD1 H 1 6.569 . . . . . . A 13 PHE HD1 . 19429 1 148 . 1 1 13 13 PHE HD2 H 1 6.544 . . . . . . A 13 PHE HD2 . 19429 1 149 . 1 1 13 13 PHE HE1 H 1 6.975 . . . . . . A 13 PHE HE1 . 19429 1 150 . 1 1 13 13 PHE HE2 H 1 6.975 . . . . . . A 13 PHE HE2 . 19429 1 151 . 1 1 13 13 PHE C C 13 174.061 . . . . . . A 13 PHE C . 19429 1 152 . 1 1 13 13 PHE CA C 13 56.282 . . . . . . A 13 PHE CA . 19429 1 153 . 1 1 13 13 PHE CB C 13 44.017 . . . . . . A 13 PHE CB . 19429 1 154 . 1 1 13 13 PHE CD1 C 13 131.385 . . . . . . A 13 PHE CD1 . 19429 1 155 . 1 1 13 13 PHE CD2 C 13 131.385 . . . . . . A 13 PHE CD2 . 19429 1 156 . 1 1 13 13 PHE CE1 C 13 131.385 . . . . . . A 13 PHE CE1 . 19429 1 157 . 1 1 13 13 PHE CE2 C 13 131.385 . . . . . . A 13 PHE CE2 . 19429 1 158 . 1 1 13 13 PHE N N 15 119.783 . . . . . . A 13 PHE N . 19429 1 159 . 1 1 14 14 GLY H H 1 9.554 . . . . . . A 14 GLY H . 19429 1 160 . 1 1 14 14 GLY HA2 H 1 3.136 . . . . . . A 14 GLY HA2 . 19429 1 161 . 1 1 14 14 GLY HA3 H 1 6.033 . . . . . . A 14 GLY HA3 . 19429 1 162 . 1 1 14 14 GLY C C 13 171.561 . . . . . . A 14 GLY C . 19429 1 163 . 1 1 14 14 GLY CA C 13 44.388 . . . . . . A 14 GLY CA . 19429 1 164 . 1 1 14 14 GLY N N 15 106.941 . . . . . . A 14 GLY N . 19429 1 165 . 1 1 15 15 SER H H 1 8.554 . . . . . . A 15 SER H . 19429 1 166 . 1 1 15 15 SER HA H 1 4.271 . . . . . . A 15 SER HA . 19429 1 167 . 1 1 15 15 SER HB2 H 1 1.933 . . . . . . A 15 SER HB2 . 19429 1 168 . 1 1 15 15 SER HB3 H 1 2.298 . . . . . . A 15 SER HB3 . 19429 1 169 . 1 1 15 15 SER C C 13 172.594 . . . . . . A 15 SER C . 19429 1 170 . 1 1 15 15 SER CA C 13 56.476 . . . . . . A 15 SER CA . 19429 1 171 . 1 1 15 15 SER CB C 13 63.876 . . . . . . A 15 SER CB . 19429 1 172 . 1 1 15 15 SER N N 15 115.691 . . . . . . A 15 SER N . 19429 1 173 . 1 1 16 16 GLN H H 1 9.054 . . . . . . A 16 GLN H . 19429 1 174 . 1 1 16 16 GLN HA H 1 5.214 . . . . . . A 16 GLN HA . 19429 1 175 . 1 1 16 16 GLN HB2 H 1 1.652 . . . . . . A 16 GLN HB2 . 19429 1 176 . 1 1 16 16 GLN HB3 H 1 1.652 . . . . . . A 16 GLN HB3 . 19429 1 177 . 1 1 16 16 GLN HG2 H 1 1.925 . . . . . . A 16 GLN HG2 . 19429 1 178 . 1 1 16 16 GLN HG3 H 1 2.072 . . . . . . A 16 GLN HG3 . 19429 1 179 . 1 1 16 16 GLN C C 13 174.606 . . . . . . A 16 GLN C . 19429 1 180 . 1 1 16 16 GLN CA C 13 54.091 . . . . . . A 16 GLN CA . 19429 1 181 . 1 1 16 16 GLN CB C 13 30 . . . . . . A 16 GLN CB . 19429 1 182 . 1 1 16 16 GLN CG C 13 33.060 . . . . . . A 16 GLN CG . 19429 1 183 . 1 1 16 16 GLN N N 15 130.200 . . . . . . A 16 GLN N . 19429 1 184 . 1 1 17 17 ARG H H 1 8.631 . . . . . . A 17 ARG H . 19429 1 185 . 1 1 17 17 ARG HA H 1 4.264 . . . . . . A 17 ARG HA . 19429 1 186 . 1 1 17 17 ARG HB2 H 1 1.492 . . . . . . A 17 ARG HB2 . 19429 1 187 . 1 1 17 17 ARG HB3 H 1 1.492 . . . . . . A 17 ARG HB3 . 19429 1 188 . 1 1 17 17 ARG HG2 H 1 1.303 . . . . . . A 17 ARG HG2 . 19429 1 189 . 1 1 17 17 ARG HG3 H 1 1.303 . . . . . . A 17 ARG HG3 . 19429 1 190 . 1 1 17 17 ARG HD2 H 1 2.927 . . . . . . A 17 ARG HD2 . 19429 1 191 . 1 1 17 17 ARG HD3 H 1 2.927 . . . . . . A 17 ARG HD3 . 19429 1 192 . 1 1 17 17 ARG C C 13 176.072 . . . . . . A 17 ARG C . 19429 1 193 . 1 1 17 17 ARG CA C 13 55.571 . . . . . . A 17 ARG CA . 19429 1 194 . 1 1 17 17 ARG CB C 13 31.314 . . . . . . A 17 ARG CB . 19429 1 195 . 1 1 17 17 ARG CG C 13 26.963 . . . . . . A 17 ARG CG . 19429 1 196 . 1 1 17 17 ARG CD C 13 43.162 . . . . . . A 17 ARG CD . 19429 1 197 . 1 1 17 17 ARG N N 15 128.075 . . . . . . A 17 ARG N . 19429 1 198 . 1 1 20 20 VAL HA H 1 4.298 . . . . . . A 20 VAL HA . 19429 1 199 . 1 1 20 20 VAL HB H 1 2.061 . . . . . . A 20 VAL HB . 19429 1 200 . 1 1 20 20 VAL HG11 H 1 0.679 . . . . . . A 20 VAL HG11 . 19429 1 201 . 1 1 20 20 VAL HG12 H 1 0.679 . . . . . . A 20 VAL HG12 . 19429 1 202 . 1 1 20 20 VAL HG13 H 1 0.679 . . . . . . A 20 VAL HG13 . 19429 1 203 . 1 1 20 20 VAL HG21 H 1 0.530 . . . . . . A 20 VAL HG21 . 19429 1 204 . 1 1 20 20 VAL HG22 H 1 0.530 . . . . . . A 20 VAL HG22 . 19429 1 205 . 1 1 20 20 VAL HG23 H 1 0.530 . . . . . . A 20 VAL HG23 . 19429 1 206 . 1 1 20 20 VAL C C 13 175.264 . . . . . . A 20 VAL C . 19429 1 207 . 1 1 20 20 VAL CA C 13 62.394 . . . . . . A 20 VAL CA . 19429 1 208 . 1 1 20 20 VAL CB C 13 32.211 . . . . . . A 20 VAL CB . 19429 1 209 . 1 1 20 20 VAL CG1 C 13 21.701 . . . . . . A 20 VAL CG1 . 19429 1 210 . 1 1 20 20 VAL CG2 C 13 21.685 . . . . . . A 20 VAL CG2 . 19429 1 211 . 1 1 21 21 LEU H H 1 9.392 . . . . . . A 21 LEU H . 19429 1 212 . 1 1 21 21 LEU HA H 1 4.806 . . . . . . A 21 LEU HA . 19429 1 213 . 1 1 21 21 LEU HB2 H 1 1.267 . . . . . . A 21 LEU HB2 . 19429 1 214 . 1 1 21 21 LEU HB3 H 1 2.278 . . . . . . A 21 LEU HB3 . 19429 1 215 . 1 1 21 21 LEU HG H 1 1.256 . . . . . . A 21 LEU HG . 19429 1 216 . 1 1 21 21 LEU HD11 H 1 0.593 . . . . . . A 21 LEU HD11 . 19429 1 217 . 1 1 21 21 LEU HD12 H 1 0.593 . . . . . . A 21 LEU HD12 . 19429 1 218 . 1 1 21 21 LEU HD13 H 1 0.593 . . . . . . A 21 LEU HD13 . 19429 1 219 . 1 1 21 21 LEU HD21 H 1 0.593 . . . . . . A 21 LEU HD21 . 19429 1 220 . 1 1 21 21 LEU HD22 H 1 0.593 . . . . . . A 21 LEU HD22 . 19429 1 221 . 1 1 21 21 LEU HD23 H 1 0.593 . . . . . . A 21 LEU HD23 . 19429 1 222 . 1 1 21 21 LEU C C 13 175.282 . . . . . . A 21 LEU C . 19429 1 223 . 1 1 21 21 LEU CA C 13 52.529 . . . . . . A 21 LEU CA . 19429 1 224 . 1 1 21 21 LEU CB C 13 45.387 . . . . . . A 21 LEU CB . 19429 1 225 . 1 1 21 21 LEU CG C 13 26.653 . . . . . . A 21 LEU CG . 19429 1 226 . 1 1 21 21 LEU CD1 C 13 23.072 . . . . . . A 21 LEU CD1 . 19429 1 227 . 1 1 21 21 LEU CD2 C 13 26.727 . . . . . . A 21 LEU CD2 . 19429 1 228 . 1 1 21 21 LEU N N 15 131.672 . . . . . . A 21 LEU N . 19429 1 229 . 1 1 22 22 THR H H 1 9.316 . . . . . . A 22 THR H . 19429 1 230 . 1 1 22 22 THR HA H 1 5.075 . . . . . . A 22 THR HA . 19429 1 231 . 1 1 22 22 THR HB H 1 3.663 . . . . . . A 22 THR HB . 19429 1 232 . 1 1 22 22 THR HG21 H 1 1.187 . . . . . . A 22 THR HG21 . 19429 1 233 . 1 1 22 22 THR HG22 H 1 1.187 . . . . . . A 22 THR HG22 . 19429 1 234 . 1 1 22 22 THR HG23 H 1 1.187 . . . . . . A 22 THR HG23 . 19429 1 235 . 1 1 22 22 THR C C 13 174.173 . . . . . . A 22 THR C . 19429 1 236 . 1 1 22 22 THR CA C 13 62.478 . . . . . . A 22 THR CA . 19429 1 237 . 1 1 22 22 THR CB C 13 69.715 . . . . . . A 22 THR CB . 19429 1 238 . 1 1 22 22 THR CG2 C 13 21.958 . . . . . . A 22 THR CG2 . 19429 1 239 . 1 1 22 22 THR N N 15 128.008 . . . . . . A 22 THR N . 19429 1 240 . 1 1 23 23 VAL H H 1 9.420 . . . . . . A 23 VAL H . 19429 1 241 . 1 1 23 23 VAL HA H 1 5.215 . . . . . . A 23 VAL HA . 19429 1 242 . 1 1 23 23 VAL HB H 1 1.812 . . . . . . A 23 VAL HB . 19429 1 243 . 1 1 23 23 VAL HG11 H 1 0.662 . . . . . . A 23 VAL HG11 . 19429 1 244 . 1 1 23 23 VAL HG12 H 1 0.662 . . . . . . A 23 VAL HG12 . 19429 1 245 . 1 1 23 23 VAL HG13 H 1 0.662 . . . . . . A 23 VAL HG13 . 19429 1 246 . 1 1 23 23 VAL HG21 H 1 0.532 . . . . . . A 23 VAL HG21 . 19429 1 247 . 1 1 23 23 VAL HG22 H 1 0.532 . . . . . . A 23 VAL HG22 . 19429 1 248 . 1 1 23 23 VAL HG23 H 1 0.532 . . . . . . A 23 VAL HG23 . 19429 1 249 . 1 1 23 23 VAL C C 13 173.591 . . . . . . A 23 VAL C . 19429 1 250 . 1 1 23 23 VAL CA C 13 59.683 . . . . . . A 23 VAL CA . 19429 1 251 . 1 1 23 23 VAL CB C 13 33.863 . . . . . . A 23 VAL CB . 19429 1 252 . 1 1 23 23 VAL CG1 C 13 21.958 . . . . . . A 23 VAL CG1 . 19429 1 253 . 1 1 23 23 VAL CG2 C 13 20.775 . . . . . . A 23 VAL CG2 . 19429 1 254 . 1 1 23 23 VAL N N 15 124.543 . . . . . . A 23 VAL N . 19429 1 255 . 1 1 24 24 LYS H H 1 9.055 . . . . . . A 24 LYS H . 19429 1 256 . 1 1 24 24 LYS HA H 1 5.323 . . . . . . A 24 LYS HA . 19429 1 257 . 1 1 24 24 LYS HB2 H 1 1.330 . . . . . . A 24 LYS HB2 . 19429 1 258 . 1 1 24 24 LYS HB3 H 1 1.468 . . . . . . A 24 LYS HB3 . 19429 1 259 . 1 1 24 24 LYS HG2 H 1 0.781 . . . . . . A 24 LYS HG2 . 19429 1 260 . 1 1 24 24 LYS HG3 H 1 0.859 . . . . . . A 24 LYS HG3 . 19429 1 261 . 1 1 24 24 LYS C C 13 174.380 . . . . . . A 24 LYS C . 19429 1 262 . 1 1 24 24 LYS CA C 13 53.845 . . . . . . A 24 LYS CA . 19429 1 263 . 1 1 24 24 LYS CB C 13 36.888 . . . . . . A 24 LYS CB . 19429 1 264 . 1 1 24 24 LYS CG C 13 24.870 . . . . . . A 24 LYS CG . 19429 1 265 . 1 1 24 24 LYS CD C 13 29.238 . . . . . . A 24 LYS CD . 19429 1 266 . 1 1 24 24 LYS CE C 13 40.523 . . . . . . A 24 LYS CE . 19429 1 267 . 1 1 24 24 LYS N N 15 121.097 . . . . . . A 24 LYS N . 19429 1 268 . 1 1 25 25 VAL H H 1 7.928 . . . . . . A 25 VAL H . 19429 1 269 . 1 1 25 25 VAL HA H 1 4.757 . . . . . . A 25 VAL HA . 19429 1 270 . 1 1 25 25 VAL HB H 1 1.653 . . . . . . A 25 VAL HB . 19429 1 271 . 1 1 25 25 VAL HG11 H 1 0.646 . . . . . . A 25 VAL HG11 . 19429 1 272 . 1 1 25 25 VAL HG12 H 1 0.646 . . . . . . A 25 VAL HG12 . 19429 1 273 . 1 1 25 25 VAL HG13 H 1 0.646 . . . . . . A 25 VAL HG13 . 19429 1 274 . 1 1 25 25 VAL HG21 H 1 0.401 . . . . . . A 25 VAL HG21 . 19429 1 275 . 1 1 25 25 VAL HG22 H 1 0.401 . . . . . . A 25 VAL HG22 . 19429 1 276 . 1 1 25 25 VAL HG23 H 1 0.401 . . . . . . A 25 VAL HG23 . 19429 1 277 . 1 1 25 25 VAL C C 13 175.489 . . . . . . A 25 VAL C . 19429 1 278 . 1 1 25 25 VAL CA C 13 60.834 . . . . . . A 25 VAL CA . 19429 1 279 . 1 1 25 25 VAL CB C 13 34.110 . . . . . . A 25 VAL CB . 19429 1 280 . 1 1 25 25 VAL CG1 C 13 21.230 . . . . . . A 25 VAL CG1 . 19429 1 281 . 1 1 25 25 VAL CG2 C 13 21.230 . . . . . . A 25 VAL CG2 . 19429 1 282 . 1 1 25 25 VAL N N 15 121.353 . . . . . . A 25 VAL N . 19429 1 283 . 1 1 26 26 GLU H H 1 8.452 . . . . . . A 26 GLU H . 19429 1 284 . 1 1 26 26 GLU HA H 1 5.137 . . . . . . A 26 GLU HA . 19429 1 285 . 1 1 26 26 GLU HB2 H 1 1.810 . . . . . . A 26 GLU HB2 . 19429 1 286 . 1 1 26 26 GLU HB3 H 1 1.810 . . . . . . A 26 GLU HB3 . 19429 1 287 . 1 1 26 26 GLU HG2 H 1 1.597 . . . . . . A 26 GLU HG2 . 19429 1 288 . 1 1 26 26 GLU HG3 H 1 1.729 . . . . . . A 26 GLU HG3 . 19429 1 289 . 1 1 26 26 GLU C C 13 176.410 . . . . . . A 26 GLU C . 19429 1 290 . 1 1 26 26 GLU CA C 13 54.091 . . . . . . A 26 GLU CA . 19429 1 291 . 1 1 26 26 GLU CB C 13 34.028 . . . . . . A 26 GLU CB . 19429 1 292 . 1 1 26 26 GLU CG C 13 36.063 . . . . . . A 26 GLU CG . 19429 1 293 . 1 1 26 26 GLU N N 15 125.028 . . . . . . A 26 GLU N . 19429 1 294 . 1 1 27 27 ASN H H 1 8.340 . . . . . . A 27 ASN H . 19429 1 295 . 1 1 27 27 ASN HA H 1 4.813 . . . . . . A 27 ASN HA . 19429 1 296 . 1 1 27 27 ASN HB2 H 1 2.625 . . . . . . A 27 ASN HB2 . 19429 1 297 . 1 1 27 27 ASN HB3 H 1 3.439 . . . . . . A 27 ASN HB3 . 19429 1 298 . 1 1 27 27 ASN C C 13 176.937 . . . . . . A 27 ASN C . 19429 1 299 . 1 1 27 27 ASN CA C 13 50.473 . . . . . . A 27 ASN CA . 19429 1 300 . 1 1 27 27 ASN CB C 13 38.386 . . . . . . A 27 ASN CB . 19429 1 301 . 1 1 27 27 ASN N N 15 117.752 . . . . . . A 27 ASN N . 19429 1 302 . 1 1 28 28 ASP H H 1 8.394 . . . . . . A 28 ASP H . 19429 1 303 . 1 1 28 28 ASP HA H 1 4.178 . . . . . . A 28 ASP HA . 19429 1 304 . 1 1 28 28 ASP HB2 H 1 2.504 . . . . . . A 28 ASP HB2 . 19429 1 305 . 1 1 28 28 ASP HB3 H 1 2.504 . . . . . . A 28 ASP HB3 . 19429 1 306 . 1 1 28 28 ASP C C 13 176.579 . . . . . . A 28 ASP C . 19429 1 307 . 1 1 28 28 ASP CA C 13 55.982 . . . . . . A 28 ASP CA . 19429 1 308 . 1 1 28 28 ASP CB C 13 39.866 . . . . . . A 28 ASP CB . 19429 1 309 . 1 1 28 28 ASP N N 15 118.006 . . . . . . A 28 ASP N . 19429 1 310 . 1 1 29 29 GLU H H 1 7.431 . . . . . . A 29 GLU H . 19429 1 311 . 1 1 29 29 GLU HA H 1 4.093 . . . . . . A 29 GLU HA . 19429 1 312 . 1 1 29 29 GLU HB2 H 1 1.531 . . . . . . A 29 GLU HB2 . 19429 1 313 . 1 1 29 29 GLU HB3 H 1 1.924 . . . . . . A 29 GLU HB3 . 19429 1 314 . 1 1 29 29 GLU HG2 H 1 1.932 . . . . . . A 29 GLU HG2 . 19429 1 315 . 1 1 29 29 GLU HG3 H 1 1.932 . . . . . . A 29 GLU HG3 . 19429 1 316 . 1 1 29 29 GLU C C 13 176.279 . . . . . . A 29 GLU C . 19429 1 317 . 1 1 29 29 GLU CA C 13 55.818 . . . . . . A 29 GLU CA . 19429 1 318 . 1 1 29 29 GLU CB C 13 30.052 . . . . . . A 29 GLU CB . 19429 1 319 . 1 1 29 29 GLU CG C 13 36.518 . . . . . . A 29 GLU CG . 19429 1 320 . 1 1 29 29 GLU N N 15 117.057 . . . . . . A 29 GLU N . 19429 1 321 . 1 1 30 30 GLY H H 1 7.818 . . . . . . A 30 GLY H . 19429 1 322 . 1 1 30 30 GLY HA2 H 1 3.496 . . . . . . A 30 GLY HA2 . 19429 1 323 . 1 1 30 30 GLY HA3 H 1 3.855 . . . . . . A 30 GLY HA3 . 19429 1 324 . 1 1 30 30 GLY C C 13 173.327 . . . . . . A 30 GLY C . 19429 1 325 . 1 1 30 30 GLY CA C 13 45.905 . . . . . . A 30 GLY CA . 19429 1 326 . 1 1 30 30 GLY N N 15 107.446 . . . . . . A 30 GLY N . 19429 1 327 . 1 1 31 31 TRP H H 1 7.788 . . . . . . A 31 TRP H . 19429 1 328 . 1 1 31 31 TRP HA H 1 4.477 . . . . . . A 31 TRP HA . 19429 1 329 . 1 1 31 31 TRP HB2 H 1 2.803 . . . . . . A 31 TRP HB2 . 19429 1 330 . 1 1 31 31 TRP HB3 H 1 2.990 . . . . . . A 31 TRP HB3 . 19429 1 331 . 1 1 31 31 TRP HD1 H 1 6.813 . . . . . . A 31 TRP HD1 . 19429 1 332 . 1 1 31 31 TRP HE3 H 1 7.398 . . . . . . A 31 TRP HE3 . 19429 1 333 . 1 1 31 31 TRP HZ3 H 1 6.894 . . . . . . A 31 TRP HZ3 . 19429 1 334 . 1 1 31 31 TRP C C 13 175.978 . . . . . . A 31 TRP C . 19429 1 335 . 1 1 31 31 TRP CA C 13 55.407 . . . . . . A 31 TRP CA . 19429 1 336 . 1 1 31 31 TRP CB C 13 29.623 . . . . . . A 31 TRP CB . 19429 1 337 . 1 1 31 31 TRP CD1 C 13 127.02 . . . . . . A 31 TRP CD1 . 19429 1 338 . 1 1 31 31 TRP CE3 C 13 121.006 . . . . . . A 31 TRP CE3 . 19429 1 339 . 1 1 31 31 TRP CZ3 C 13 121.990 . . . . . . A 31 TRP CZ3 . 19429 1 340 . 1 1 31 31 TRP N N 15 121.760 . . . . . . A 31 TRP N . 19429 1 341 . 1 1 32 32 THR H H 1 8.365 . . . . . . A 32 THR H . 19429 1 342 . 1 1 32 32 THR HA H 1 3.707 . . . . . . A 32 THR HA . 19429 1 343 . 1 1 32 32 THR HB H 1 3.635 . . . . . . A 32 THR HB . 19429 1 344 . 1 1 32 32 THR HG21 H 1 0.764 . . . . . . A 32 THR HG21 . 19429 1 345 . 1 1 32 32 THR HG22 H 1 0.764 . . . . . . A 32 THR HG22 . 19429 1 346 . 1 1 32 32 THR HG23 H 1 0.764 . . . . . . A 32 THR HG23 . 19429 1 347 . 1 1 32 32 THR C C 13 173.797 . . . . . . A 32 THR C . 19429 1 348 . 1 1 32 32 THR CA C 13 64.687 . . . . . . A 32 THR CA . 19429 1 349 . 1 1 32 32 THR CB C 13 69.4925 . . . . . . A 32 THR CB . 19429 1 350 . 1 1 32 32 THR CG2 C 13 22.432 . . . . . . A 32 THR CG2 . 19429 1 351 . 1 1 32 32 THR N N 15 120.652 . . . . . . A 32 THR N . 19429 1 352 . 1 1 33 33 LEU H H 1 9.319 . . . . . . A 33 LEU H . 19429 1 353 . 1 1 33 33 LEU HA H 1 4.178 . . . . . . A 33 LEU HA . 19429 1 354 . 1 1 33 33 LEU HB2 H 1 1.417 . . . . . . A 33 LEU HB2 . 19429 1 355 . 1 1 33 33 LEU HB3 H 1 1.417 . . . . . . A 33 LEU HB3 . 19429 1 356 . 1 1 33 33 LEU HG H 1 1.456 . . . . . . A 33 LEU HG . 19429 1 357 . 1 1 33 33 LEU HD11 H 1 0.738 . . . . . . A 33 LEU HD11 . 19429 1 358 . 1 1 33 33 LEU HD12 H 1 0.738 . . . . . . A 33 LEU HD12 . 19429 1 359 . 1 1 33 33 LEU HD13 H 1 0.738 . . . . . . A 33 LEU HD13 . 19429 1 360 . 1 1 33 33 LEU HD21 H 1 0.676 . . . . . . A 33 LEU HD21 . 19429 1 361 . 1 1 33 33 LEU HD22 H 1 0.676 . . . . . . A 33 LEU HD22 . 19429 1 362 . 1 1 33 33 LEU HD23 H 1 0.676 . . . . . . A 33 LEU HD23 . 19429 1 363 . 1 1 33 33 LEU C C 13 177.049 . . . . . . A 33 LEU C . 19429 1 364 . 1 1 33 33 LEU CA C 13 56.229 . . . . . . A 33 LEU CA . 19429 1 365 . 1 1 33 33 LEU CB C 13 42.811 . . . . . . A 33 LEU CB . 19429 1 366 . 1 1 33 33 LEU CG C 13 26.545 . . . . . . A 33 LEU CG . 19429 1 367 . 1 1 33 33 LEU CD1 C 13 24.717 . . . . . . A 33 LEU CD1 . 19429 1 368 . 1 1 33 33 LEU CD2 C 13 22.432 . . . . . . A 33 LEU CD2 . 19429 1 369 . 1 1 33 33 LEU N N 15 129.342 . . . . . . A 33 LEU N . 19429 1 370 . 1 1 34 34 VAL H H 1 7.089 . . . . . . A 34 VAL H . 19429 1 371 . 1 1 34 34 VAL HA H 1 4.318 . . . . . . A 34 VAL HA . 19429 1 372 . 1 1 34 34 VAL HB H 1 2.092 . . . . . . A 34 VAL HB . 19429 1 373 . 1 1 34 34 VAL HG11 H 1 0.676 . . . . . . A 34 VAL HG11 . 19429 1 374 . 1 1 34 34 VAL HG12 H 1 0.676 . . . . . . A 34 VAL HG12 . 19429 1 375 . 1 1 34 34 VAL HG13 H 1 0.676 . . . . . . A 34 VAL HG13 . 19429 1 376 . 1 1 34 34 VAL HG21 H 1 0.676 . . . . . . A 34 VAL HG21 . 19429 1 377 . 1 1 34 34 VAL HG22 H 1 0.676 . . . . . . A 34 VAL HG22 . 19429 1 378 . 1 1 34 34 VAL HG23 H 1 0.676 . . . . . . A 34 VAL HG23 . 19429 1 379 . 1 1 34 34 VAL C C 13 172.406 . . . . . . A 34 VAL C . 19429 1 380 . 1 1 34 34 VAL CA C 13 59.836 . . . . . . A 34 VAL CA . 19429 1 381 . 1 1 34 34 VAL CB C 13 35.500 . . . . . . A 34 VAL CB . 19429 1 382 . 1 1 34 34 VAL CG1 C 13 21.518 . . . . . . A 34 VAL CG1 . 19429 1 383 . 1 1 34 34 VAL CG2 C 13 19.782 . . . . . . A 34 VAL CG2 . 19429 1 384 . 1 1 34 34 VAL N N 15 111.835 . . . . . . A 34 VAL N . 19429 1 385 . 1 1 35 35 GLU H H 1 7.798 . . . . . . A 35 GLU H . 19429 1 386 . 1 1 35 35 GLU HA H 1 5.253 . . . . . . A 35 GLU HA . 19429 1 387 . 1 1 35 35 GLU HB2 H 1 1.606 . . . . . . A 35 GLU HB2 . 19429 1 388 . 1 1 35 35 GLU HB3 H 1 1.644 . . . . . . A 35 GLU HB3 . 19429 1 389 . 1 1 35 35 GLU HG2 H 1 1.787 . . . . . . A 35 GLU HG2 . 19429 1 390 . 1 1 35 35 GLU HG3 H 1 1.784 . . . . . . A 35 GLU HG3 . 19429 1 391 . 1 1 35 35 GLU C C 13 174.136 . . . . . . A 35 GLU C . 19429 1 392 . 1 1 35 35 GLU CA C 13 55.240 . . . . . . A 35 GLU CA . 19429 1 393 . 1 1 35 35 GLU CB C 13 33.216 . . . . . . A 35 GLU CB . 19429 1 394 . 1 1 35 35 GLU CG C 13 36.049 . . . . . . A 35 GLU CG . 19429 1 395 . 1 1 35 35 GLU N N 15 121.823 . . . . . . A 35 GLU N . 19429 1 396 . 1 1 36 36 GLU H H 1 8.689 . . . . . . A 36 GLU H . 19429 1 397 . 1 1 36 36 GLU HA H 1 4.294 . . . . . . A 36 GLU HA . 19429 1 398 . 1 1 36 36 GLU HB2 H 1 0.885 . . . . . . A 36 GLU HB2 . 19429 1 399 . 1 1 36 36 GLU HB3 H 1 1.686 . . . . . . A 36 GLU HB3 . 19429 1 400 . 1 1 36 36 GLU HG2 H 1 1.240 . . . . . . A 36 GLU HG2 . 19429 1 401 . 1 1 36 36 GLU HG3 H 1 1.240 . . . . . . A 36 GLU HG3 . 19429 1 402 . 1 1 36 36 GLU C C 13 172.406 . . . . . . A 36 GLU C . 19429 1 403 . 1 1 36 36 GLU CA C 13 54.914 . . . . . . A 36 GLU CA . 19429 1 404 . 1 1 36 36 GLU CB C 13 33.342 . . . . . . A 36 GLU CB . 19429 1 405 . 1 1 36 36 GLU CG C 13 36.275 . . . . . . A 36 GLU CG . 19429 1 406 . 1 1 36 36 GLU N N 15 125.497 . . . . . . A 36 GLU N . 19429 1 407 . 1 1 37 37 ASP H H 1 8.462 . . . . . . A 37 ASP H . 19429 1 408 . 1 1 37 37 ASP HA H 1 5.131 . . . . . . A 37 ASP HA . 19429 1 409 . 1 1 37 37 ASP HB2 H 1 2.055 . . . . . . A 37 ASP HB2 . 19429 1 410 . 1 1 37 37 ASP HB3 H 1 2.242 . . . . . . A 37 ASP HB3 . 19429 1 411 . 1 1 37 37 ASP C C 13 175.602 . . . . . . A 37 ASP C . 19429 1 412 . 1 1 37 37 ASP CA C 13 53.022 . . . . . . A 37 ASP CA . 19429 1 413 . 1 1 37 37 ASP CB C 13 42.643 . . . . . . A 37 ASP CB . 19429 1 414 . 1 1 37 37 ASP N N 15 123.653 . . . . . . A 37 ASP N . 19429 1 415 . 1 1 38 38 PHE H H 1 8.993 . . . . . . A 38 PHE H . 19429 1 416 . 1 1 38 38 PHE HA H 1 4.364 . . . . . . A 38 PHE HA . 19429 1 417 . 1 1 38 38 PHE HB2 H 1 2.530 . . . . . . A 38 PHE HB2 . 19429 1 418 . 1 1 38 38 PHE HB3 H 1 2.776 . . . . . . A 38 PHE HB3 . 19429 1 419 . 1 1 38 38 PHE HD1 H 1 6.875 . . . . . . A 38 PHE HD1 . 19429 1 420 . 1 1 38 38 PHE HD2 H 1 6.875 . . . . . . A 38 PHE HD2 . 19429 1 421 . 1 1 38 38 PHE HE1 H 1 6.439 . . . . . . A 38 PHE HE1 . 19429 1 422 . 1 1 38 38 PHE HE2 H 1 6.439 . . . . . . A 38 PHE HE2 . 19429 1 423 . 1 1 38 38 PHE HZ H 1 6.098 . . . . . . A 38 PHE HZ . 19429 1 424 . 1 1 38 38 PHE C C 13 173.327 . . . . . . A 38 PHE C . 19429 1 425 . 1 1 38 38 PHE CA C 13 56.969 . . . . . . A 38 PHE CA . 19429 1 426 . 1 1 38 38 PHE CB C 13 42.250 . . . . . . A 38 PHE CB . 19429 1 427 . 1 1 38 38 PHE CD1 C 13 131.941 . . . . . . A 38 PHE CD1 . 19429 1 428 . 1 1 38 38 PHE CD2 C 13 131.941 . . . . . . A 38 PHE CD2 . 19429 1 429 . 1 1 38 38 PHE CE1 C 13 130.301 . . . . . . A 38 PHE CE1 . 19429 1 430 . 1 1 38 38 PHE CE2 C 13 130.301 . . . . . . A 38 PHE CE2 . 19429 1 431 . 1 1 38 38 PHE CZ C 13 129.754 . . . . . . A 38 PHE CZ . 19429 1 432 . 1 1 38 38 PHE N N 15 120.897 . . . . . . A 38 PHE N . 19429 1 433 . 1 1 39 39 ASP H H 1 9.469 . . . . . . A 39 ASP H . 19429 1 434 . 1 1 39 39 ASP HA H 1 4.991 . . . . . . A 39 ASP HA . 19429 1 435 . 1 1 39 39 ASP HB2 H 1 2.251 . . . . . . A 39 ASP HB2 . 19429 1 436 . 1 1 39 39 ASP HB3 H 1 3.027 . . . . . . A 39 ASP HB3 . 19429 1 437 . 1 1 39 39 ASP CA C 13 52.118 . . . . . . A 39 ASP CA . 19429 1 438 . 1 1 39 39 ASP CB C 13 41.564 . . . . . . A 39 ASP CB . 19429 1 439 . 1 1 39 39 ASP N N 15 125.543 . . . . . . A 39 ASP N . 19429 1 440 . 1 1 40 40 ARG H H 1 9.312 . . . . . . A 40 ARG H . 19429 1 441 . 1 1 40 40 ARG HA H 1 4.133 . . . . . . A 40 ARG HA . 19429 1 442 . 1 1 40 40 ARG C C 13 177.613 . . . . . . A 40 ARG C . 19429 1 443 . 1 1 40 40 ARG CA C 13 57.298 . . . . . . A 40 ARG CA . 19429 1 444 . 1 1 40 40 ARG CB C 13 28.518 . . . . . . A 40 ARG CB . 19429 1 445 . 1 1 40 40 ARG N N 15 128.148 . . . . . . A 40 ARG N . 19429 1 446 . 1 1 41 41 ALA H H 1 8.665 . . . . . . A 41 ALA H . 19429 1 447 . 1 1 41 41 ALA HA H 1 4.037 . . . . . . A 41 ALA HA . 19429 1 448 . 1 1 41 41 ALA HB1 H 1 1.122 . . . . . . A 41 ALA HB1 . 19429 1 449 . 1 1 41 41 ALA HB2 H 1 1.122 . . . . . . A 41 ALA HB2 . 19429 1 450 . 1 1 41 41 ALA HB3 H 1 1.122 . . . . . . A 41 ALA HB3 . 19429 1 451 . 1 1 41 41 ALA C C 13 178.196 . . . . . . A 41 ALA C . 19429 1 452 . 1 1 41 41 ALA CA C 13 53.762 . . . . . . A 41 ALA CA . 19429 1 453 . 1 1 41 41 ALA CB C 13 17.993 . . . . . . A 41 ALA CB . 19429 1 454 . 1 1 41 41 ALA N N 15 121.948 . . . . . . A 41 ALA N . 19429 1 455 . 1 1 42 42 ASP H H 1 7.815 . . . . . . A 42 ASP H . 19429 1 456 . 1 1 42 42 ASP HA H 1 4.290 . . . . . . A 42 ASP HA . 19429 1 457 . 1 1 42 42 ASP HB2 H 1 2.307 . . . . . . A 42 ASP HB2 . 19429 1 458 . 1 1 42 42 ASP HB3 H 1 2.560 . . . . . . A 42 ASP HB3 . 19429 1 459 . 1 1 42 42 ASP C C 13 174.512 . . . . . . A 42 ASP C . 19429 1 460 . 1 1 42 42 ASP CA C 13 54.749 . . . . . . A 42 ASP CA . 19429 1 461 . 1 1 42 42 ASP CB C 13 40.030 . . . . . . A 42 ASP CB . 19429 1 462 . 1 1 42 42 ASP N N 15 116.451 . . . . . . A 42 ASP N . 19429 1 463 . 1 1 43 43 TYR H H 1 7.522 . . . . . . A 43 TYR H . 19429 1 464 . 1 1 43 43 TYR HA H 1 4.487 . . . . . . A 43 TYR HA . 19429 1 465 . 1 1 43 43 TYR HB2 H 1 2.616 . . . . . . A 43 TYR HB2 . 19429 1 466 . 1 1 43 43 TYR HB3 H 1 3.010 . . . . . . A 43 TYR HB3 . 19429 1 467 . 1 1 43 43 TYR HD1 H 1 7.251 . . . . . . A 43 TYR HD1 . 19429 1 468 . 1 1 43 43 TYR HD2 H 1 7.251 . . . . . . A 43 TYR HD2 . 19429 1 469 . 1 1 43 43 TYR HE1 H 1 6.764 . . . . . . A 43 TYR HE1 . 19429 1 470 . 1 1 43 43 TYR HE2 H 1 6.764 . . . . . . A 43 TYR HE2 . 19429 1 471 . 1 1 43 43 TYR C C 13 175.508 . . . . . . A 43 TYR C . 19429 1 472 . 1 1 43 43 TYR CA C 13 57.463 . . . . . . A 43 TYR CA . 19429 1 473 . 1 1 43 43 TYR CB C 13 41.922 . . . . . . A 43 TYR CB . 19429 1 474 . 1 1 43 43 TYR CD1 C 13 134.128 . . . . . . A 43 TYR CD1 . 19429 1 475 . 1 1 43 43 TYR CD2 C 13 134.128 . . . . . . A 43 TYR CD2 . 19429 1 476 . 1 1 43 43 TYR CE1 C 13 118.219 . . . . . . A 43 TYR CE1 . 19429 1 477 . 1 1 43 43 TYR CE2 C 13 118.219 . . . . . . A 43 TYR CE2 . 19429 1 478 . 1 1 43 43 TYR N N 15 117.665 . . . . . . A 43 TYR N . 19429 1 479 . 1 1 44 44 GLY H H 1 8.967 . . . . . . A 44 GLY H . 19429 1 480 . 1 1 44 44 GLY HA2 H 1 3.682 . . . . . . A 44 GLY HA2 . 19429 1 481 . 1 1 44 44 GLY HA3 H 1 4.000 . . . . . . A 44 GLY HA3 . 19429 1 482 . 1 1 44 44 GLY C C 13 173.985 . . . . . . A 44 GLY C . 19429 1 483 . 1 1 44 44 GLY CA C 13 45.540 . . . . . . A 44 GLY CA . 19429 1 484 . 1 1 44 44 GLY N N 15 106.710 . . . . . . A 44 GLY N . 19429 1 485 . 1 1 45 45 SER H H 1 7.336 . . . . . . A 45 SER H . 19429 1 486 . 1 1 45 45 SER HA H 1 4.427 . . . . . . A 45 SER HA . 19429 1 487 . 1 1 45 45 SER HB2 H 1 3.783 . . . . . . A 45 SER HB2 . 19429 1 488 . 1 1 45 45 SER HB3 H 1 3.972 . . . . . . A 45 SER HB3 . 19429 1 489 . 1 1 45 45 SER C C 13 173.139 . . . . . . A 45 SER C . 19429 1 490 . 1 1 45 45 SER CA C 13 57.433 . . . . . . A 45 SER CA . 19429 1 491 . 1 1 45 45 SER CB C 13 65.130 . . . . . . A 45 SER CB . 19429 1 492 . 1 1 45 45 SER N N 15 110.233 . . . . . . A 45 SER N . 19429 1 493 . 1 1 46 46 ASP H H 1 9.235 . . . . . . A 46 ASP H . 19429 1 494 . 1 1 46 46 ASP HA H 1 4.294 . . . . . . A 46 ASP HA . 19429 1 495 . 1 1 46 46 ASP HB2 H 1 2.453 . . . . . . A 46 ASP HB2 . 19429 1 496 . 1 1 46 46 ASP HB3 H 1 2.653 . . . . . . A 46 ASP HB3 . 19429 1 497 . 1 1 46 46 ASP C C 13 175.226 . . . . . . A 46 ASP C . 19429 1 498 . 1 1 46 46 ASP CA C 13 57.8 . . . . . . A 46 ASP CA . 19429 1 499 . 1 1 46 46 ASP CB C 13 37.15 . . . . . . A 46 ASP CB . 19429 1 500 . 1 1 46 46 ASP N N 15 121.065 . . . . . . A 46 ASP N . 19429 1 501 . 1 1 47 47 PRO HA H 1 3.991 . . . . . . A 47 PRO HA . 19429 1 502 . 1 1 47 47 PRO HB2 H 1 1.580 . . . . . . A 47 PRO HB2 . 19429 1 503 . 1 1 47 47 PRO HB3 H 1 2.092 . . . . . . A 47 PRO HB3 . 19429 1 504 . 1 1 47 47 PRO HG2 H 1 1.728 . . . . . . A 47 PRO HG2 . 19429 1 505 . 1 1 47 47 PRO HG3 H 1 1.944 . . . . . . A 47 PRO HG3 . 19429 1 506 . 1 1 47 47 PRO HD2 H 1 3.596 . . . . . . A 47 PRO HD2 . 19429 1 507 . 1 1 47 47 PRO HD3 H 1 3.596 . . . . . . A 47 PRO HD3 . 19429 1 508 . 1 1 47 47 PRO C C 13 179.625 . . . . . . A 47 PRO C . 19429 1 509 . 1 1 47 47 PRO CA C 13 65.603 . . . . . . A 47 PRO CA . 19429 1 510 . 1 1 47 47 PRO CB C 13 30.574 . . . . . . A 47 PRO CB . 19429 1 511 . 1 1 47 47 PRO CG C 13 27.733 . . . . . . A 47 PRO CG . 19429 1 512 . 1 1 47 47 PRO CD C 13 49.939 . . . . . . A 47 PRO CD . 19429 1 513 . 1 1 48 48 GLU H H 1 7.225 . . . . . . A 48 GLU H . 19429 1 514 . 1 1 48 48 GLU HA H 1 3.869 . . . . . . A 48 GLU HA . 19429 1 515 . 1 1 48 48 GLU HB2 H 1 1.980 . . . . . . A 48 GLU HB2 . 19429 1 516 . 1 1 48 48 GLU HB3 H 1 2.195 . . . . . . A 48 GLU HB3 . 19429 1 517 . 1 1 48 48 GLU HG2 H 1 2.170 . . . . . . A 48 GLU HG2 . 19429 1 518 . 1 1 48 48 GLU HG3 H 1 2.170 . . . . . . A 48 GLU HG3 . 19429 1 519 . 1 1 48 48 GLU C C 13 177.839 . . . . . . A 48 GLU C . 19429 1 520 . 1 1 48 48 GLU CA C 13 59.272 . . . . . . A 48 GLU CA . 19429 1 521 . 1 1 48 48 GLU CB C 13 30.821 . . . . . . A 48 GLU CB . 19429 1 522 . 1 1 48 48 GLU CG C 13 37.511 . . . . . . A 48 GLU CG . 19429 1 523 . 1 1 48 48 GLU N N 15 117.174 . . . . . . A 48 GLU N . 19429 1 524 . 1 1 49 49 PHE H H 1 7.378 . . . . . . A 49 PHE H . 19429 1 525 . 1 1 49 49 PHE HA H 1 3.054 . . . . . . A 49 PHE HA . 19429 1 526 . 1 1 49 49 PHE HB2 H 1 2.563 . . . . . . A 49 PHE HB2 . 19429 1 527 . 1 1 49 49 PHE HB3 H 1 2.564 . . . . . . A 49 PHE HB3 . 19429 1 528 . 1 1 49 49 PHE HD1 H 1 6.723 . . . . . . A 49 PHE HD1 . 19429 1 529 . 1 1 49 49 PHE HD2 H 1 6.723 . . . . . . A 49 PHE HD2 . 19429 1 530 . 1 1 49 49 PHE HE1 H 1 7.251 . . . . . . A 49 PHE HE1 . 19429 1 531 . 1 1 49 49 PHE HE2 H 1 7.251 . . . . . . A 49 PHE HE2 . 19429 1 532 . 1 1 49 49 PHE C C 13 175.207 . . . . . . A 49 PHE C . 19429 1 533 . 1 1 49 49 PHE CA C 13 60.926 . . . . . . A 49 PHE CA . 19429 1 534 . 1 1 49 49 PHE CB C 13 39.340 . . . . . . A 49 PHE CB . 19429 1 535 . 1 1 49 49 PHE CD1 C 13 131.932 . . . . . . A 49 PHE CD1 . 19429 1 536 . 1 1 49 49 PHE CD2 C 13 131.932 . . . . . . A 49 PHE CD2 . 19429 1 537 . 1 1 49 49 PHE CE1 C 13 134.128 . . . . . . A 49 PHE CE1 . 19429 1 538 . 1 1 49 49 PHE CE2 C 13 134.128 . . . . . . A 49 PHE CE2 . 19429 1 539 . 1 1 49 49 PHE N N 15 120.987 . . . . . . A 49 PHE N . 19429 1 540 . 1 1 50 50 VAL H H 1 8.196 . . . . . . A 50 VAL H . 19429 1 541 . 1 1 50 50 VAL HA H 1 2.825 . . . . . . A 50 VAL HA . 19429 1 542 . 1 1 50 50 VAL HB H 1 1.532 . . . . . . A 50 VAL HB . 19429 1 543 . 1 1 50 50 VAL HG11 H 1 0.194 . . . . . . A 50 VAL HG11 . 19429 1 544 . 1 1 50 50 VAL HG12 H 1 0.194 . . . . . . A 50 VAL HG12 . 19429 1 545 . 1 1 50 50 VAL HG13 H 1 0.194 . . . . . . A 50 VAL HG13 . 19429 1 546 . 1 1 50 50 VAL HG21 H 1 0.371 . . . . . . A 50 VAL HG21 . 19429 1 547 . 1 1 50 50 VAL HG22 H 1 0.371 . . . . . . A 50 VAL HG22 . 19429 1 548 . 1 1 50 50 VAL HG23 H 1 0.371 . . . . . . A 50 VAL HG23 . 19429 1 549 . 1 1 50 50 VAL C C 13 178.873 . . . . . . A 50 VAL C . 19429 1 550 . 1 1 50 50 VAL CA C 13 65.850 . . . . . . A 50 VAL CA . 19429 1 551 . 1 1 50 50 VAL CB C 13 31.561 . . . . . . A 50 VAL CB . 19429 1 552 . 1 1 50 50 VAL CG1 C 13 23.596 . . . . . . A 50 VAL CG1 . 19429 1 553 . 1 1 50 50 VAL CG2 C 13 20.229 . . . . . . A 50 VAL CG2 . 19429 1 554 . 1 1 50 50 VAL N N 15 118.065 . . . . . . A 50 VAL N . 19429 1 555 . 1 1 51 51 ALA H H 1 8.174 . . . . . . A 51 ALA H . 19429 1 556 . 1 1 51 51 ALA HA H 1 3.841 . . . . . . A 51 ALA HA . 19429 1 557 . 1 1 51 51 ALA HB1 H 1 1.251 . . . . . . A 51 ALA HB1 . 19429 1 558 . 1 1 51 51 ALA HB2 H 1 1.251 . . . . . . A 51 ALA HB2 . 19429 1 559 . 1 1 51 51 ALA HB3 H 1 1.251 . . . . . . A 51 ALA HB3 . 19429 1 560 . 1 1 51 51 ALA C C 13 180.076 . . . . . . A 51 ALA C . 19429 1 561 . 1 1 51 51 ALA CA C 13 54.831 . . . . . . A 51 ALA CA . 19429 1 562 . 1 1 51 51 ALA CB C 13 17.635 . . . . . . A 51 ALA CB . 19429 1 563 . 1 1 51 51 ALA N N 15 123.161 . . . . . . A 51 ALA N . 19429 1 564 . 1 1 52 52 GLU H H 1 7.470 . . . . . . A 52 GLU H . 19429 1 565 . 1 1 52 52 GLU HA H 1 3.934 . . . . . . A 52 GLU HA . 19429 1 566 . 1 1 52 52 GLU HB2 H 1 1.634 . . . . . . A 52 GLU HB2 . 19429 1 567 . 1 1 52 52 GLU HB3 H 1 1.746 . . . . . . A 52 GLU HB3 . 19429 1 568 . 1 1 52 52 GLU HG2 H 1 2.505 . . . . . . A 52 GLU HG2 . 19429 1 569 . 1 1 52 52 GLU HG3 H 1 2.505 . . . . . . A 52 GLU HG3 . 19429 1 570 . 1 1 52 52 GLU C C 13 179.155 . . . . . . A 52 GLU C . 19429 1 571 . 1 1 52 52 GLU CA C 13 59.189 . . . . . . A 52 GLU CA . 19429 1 572 . 1 1 52 52 GLU CB C 13 28.436 . . . . . . A 52 GLU CB . 19429 1 573 . 1 1 52 52 GLU CG C 13 34.952 . . . . . . A 52 GLU CG . 19429 1 574 . 1 1 52 52 GLU N N 15 120.129 . . . . . . A 52 GLU N . 19429 1 575 . 1 1 53 53 VAL H H 1 7.512 . . . . . . A 53 VAL H . 19429 1 576 . 1 1 53 53 VAL HA H 1 2.350 . . . . . . A 53 VAL HA . 19429 1 577 . 1 1 53 53 VAL HB H 1 1.336 . . . . . . A 53 VAL HB . 19429 1 578 . 1 1 53 53 VAL HG11 H 1 0.075 . . . . . . A 53 VAL HG11 . 19429 1 579 . 1 1 53 53 VAL HG12 H 1 0.075 . . . . . . A 53 VAL HG12 . 19429 1 580 . 1 1 53 53 VAL HG13 H 1 0.075 . . . . . . A 53 VAL HG13 . 19429 1 581 . 1 1 53 53 VAL HG21 H 1 -0.750 . . . . . . A 53 VAL HG21 . 19429 1 582 . 1 1 53 53 VAL HG22 H 1 -0.750 . . . . . . A 53 VAL HG22 . 19429 1 583 . 1 1 53 53 VAL HG23 H 1 -0.750 . . . . . . A 53 VAL HG23 . 19429 1 584 . 1 1 53 53 VAL C C 13 177.820 . . . . . . A 53 VAL C . 19429 1 585 . 1 1 53 53 VAL CA C 13 66.115 . . . . . . A 53 VAL CA . 19429 1 586 . 1 1 53 53 VAL CB C 13 30.821 . . . . . . A 53 VAL CB . 19429 1 587 . 1 1 53 53 VAL CG1 C 13 21.427 . . . . . . A 53 VAL CG1 . 19429 1 588 . 1 1 53 53 VAL CG2 C 13 20.696 . . . . . . A 53 VAL CG2 . 19429 1 589 . 1 1 53 53 VAL N N 15 120.587 . . . . . . A 53 VAL N . 19429 1 590 . 1 1 54 54 SER H H 1 8.549 . . . . . . A 54 SER H . 19429 1 591 . 1 1 54 54 SER HA H 1 3.68 . . . . . . A 54 SER HA . 19429 1 592 . 1 1 54 54 SER HB2 H 1 3.53 . . . . . . A 54 SER HB2 . 19429 1 593 . 1 1 54 54 SER HB3 H 1 3.53 . . . . . . A 54 SER HB3 . 19429 1 594 . 1 1 54 54 SER C C 13 176.843 . . . . . . A 54 SER C . 19429 1 595 . 1 1 54 54 SER CA C 13 62.094 . . . . . . A 54 SER CA . 19429 1 596 . 1 1 54 54 SER CB C 13 62.478 . . . . . . A 54 SER CB . 19429 1 597 . 1 1 54 54 SER N N 15 114.485 . . . . . . A 54 SER N . 19429 1 598 . 1 1 55 55 SER H H 1 8.079 . . . . . . A 55 SER H . 19429 1 599 . 1 1 55 55 SER HA H 1 4.019 . . . . . . A 55 SER HA . 19429 1 600 . 1 1 55 55 SER HB2 H 1 3.841 . . . . . . A 55 SER HB2 . 19429 1 601 . 1 1 55 55 SER HB3 H 1 3.823 . . . . . . A 55 SER HB3 . 19429 1 602 . 1 1 55 55 SER C C 13 176.279 . . . . . . A 55 SER C . 19429 1 603 . 1 1 55 55 SER CA C 13 61.180 . . . . . . A 55 SER CA . 19429 1 604 . 1 1 55 55 SER CB C 13 62.276 . . . . . . A 55 SER CB . 19429 1 605 . 1 1 55 55 SER N N 15 119.035 . . . . . . A 55 SER N . 19429 1 606 . 1 1 56 56 TYR H H 1 7.794 . . . . . . A 56 TYR H . 19429 1 607 . 1 1 56 56 TYR HA H 1 3.742 . . . . . . A 56 TYR HA . 19429 1 608 . 1 1 56 56 TYR HB2 H 1 3.011 . . . . . . A 56 TYR HB2 . 19429 1 609 . 1 1 56 56 TYR HB3 H 1 3.030 . . . . . . A 56 TYR HB3 . 19429 1 610 . 1 1 56 56 TYR HD1 H 1 6.114 . . . . . . A 56 TYR HD1 . 19429 1 611 . 1 1 56 56 TYR HD2 H 1 6.406 . . . . . . A 56 TYR HD2 . 19429 1 612 . 1 1 56 56 TYR HE1 H 1 6.082 . . . . . . A 56 TYR HE1 . 19429 1 613 . 1 1 56 56 TYR HE2 H 1 6.731 . . . . . . A 56 TYR HE2 . 19429 1 614 . 1 1 56 56 TYR C C 13 178.384 . . . . . . A 56 TYR C . 19429 1 615 . 1 1 56 56 TYR CA C 13 61.840 . . . . . . A 56 TYR CA . 19429 1 616 . 1 1 56 56 TYR CB C 13 37.928 . . . . . . A 56 TYR CB . 19429 1 617 . 1 1 56 56 TYR CD1 C 13 129.754 . . . . . . A 56 TYR CD1 . 19429 1 618 . 1 1 56 56 TYR CD2 C 13 129.754 . . . . . . A 56 TYR CD2 . 19429 1 619 . 1 1 56 56 TYR N N 15 123.512 . . . . . . A 56 TYR N . 19429 1 620 . 1 1 57 57 LEU H H 1 8.389 . . . . . . A 57 LEU H . 19429 1 621 . 1 1 57 57 LEU HA H 1 3.345 . . . . . . A 57 LEU HA . 19429 1 622 . 1 1 57 57 LEU HB2 H 1 0.449 . . . . . . A 57 LEU HB2 . 19429 1 623 . 1 1 57 57 LEU HB3 H 1 1.709 . . . . . . A 57 LEU HB3 . 19429 1 624 . 1 1 57 57 LEU HG H 1 1.490 . . . . . . A 57 LEU HG . 19429 1 625 . 1 1 57 57 LEU HD11 H 1 0.165 . . . . . . A 57 LEU HD11 . 19429 1 626 . 1 1 57 57 LEU HD12 H 1 0.165 . . . . . . A 57 LEU HD12 . 19429 1 627 . 1 1 57 57 LEU HD13 H 1 0.165 . . . . . . A 57 LEU HD13 . 19429 1 628 . 1 1 57 57 LEU HD21 H 1 -0.455 . . . . . . A 57 LEU HD21 . 19429 1 629 . 1 1 57 57 LEU HD22 H 1 -0.455 . . . . . . A 57 LEU HD22 . 19429 1 630 . 1 1 57 57 LEU HD23 H 1 -0.455 . . . . . . A 57 LEU HD23 . 19429 1 631 . 1 1 57 57 LEU C C 13 178.816 . . . . . . A 57 LEU C . 19429 1 632 . 1 1 57 57 LEU CA C 13 57.792 . . . . . . A 57 LEU CA . 19429 1 633 . 1 1 57 57 LEU CB C 13 41.675 . . . . . . A 57 LEU CB . 19429 1 634 . 1 1 57 57 LEU CG C 13 26.420 . . . . . . A 57 LEU CG . 19429 1 635 . 1 1 57 57 LEU CD1 C 13 23.505 . . . . . . A 57 LEU CD1 . 19429 1 636 . 1 1 57 57 LEU CD2 C 13 24.205 . . . . . . A 57 LEU CD2 . 19429 1 637 . 1 1 57 57 LEU N N 15 119.571 . . . . . . A 57 LEU N . 19429 1 638 . 1 1 58 58 LYS H H 1 7.918 . . . . . . A 58 LYS H . 19429 1 639 . 1 1 58 58 LYS HA H 1 3.962 . . . . . . A 58 LYS HA . 19429 1 640 . 1 1 58 58 LYS HB2 H 1 1.814 . . . . . . A 58 LYS HB2 . 19429 1 641 . 1 1 58 58 LYS HB3 H 1 1.814 . . . . . . A 58 LYS HB3 . 19429 1 642 . 1 1 58 58 LYS HG2 H 1 1.222 . . . . . . A 58 LYS HG2 . 19429 1 643 . 1 1 58 58 LYS HG3 H 1 1.350 . . . . . . A 58 LYS HG3 . 19429 1 644 . 1 1 58 58 LYS C C 13 179.380 . . . . . . A 58 LYS C . 19429 1 645 . 1 1 58 58 LYS CA C 13 58.987 . . . . . . A 58 LYS CA . 19429 1 646 . 1 1 58 58 LYS CB C 13 32.054 . . . . . . A 58 LYS CB . 19429 1 647 . 1 1 58 58 LYS CG C 13 24.443 . . . . . . A 58 LYS CG . 19429 1 648 . 1 1 58 58 LYS CD C 13 29.012 . . . . . . A 58 LYS CD . 19429 1 649 . 1 1 58 58 LYS CE C 13 41.806 . . . . . . A 58 LYS CE . 19429 1 650 . 1 1 58 58 LYS N N 15 119.807 . . . . . . A 58 LYS N . 19429 1 651 . 1 1 59 59 ARG H H 1 7.609 . . . . . . A 59 ARG H . 19429 1 652 . 1 1 59 59 ARG HA H 1 4.035 . . . . . . A 59 ARG HA . 19429 1 653 . 1 1 59 59 ARG HB2 H 1 1.581 . . . . . . A 59 ARG HB2 . 19429 1 654 . 1 1 59 59 ARG HB3 H 1 1.581 . . . . . . A 59 ARG HB3 . 19429 1 655 . 1 1 59 59 ARG HG2 H 1 1.364 . . . . . . A 59 ARG HG2 . 19429 1 656 . 1 1 59 59 ARG HG3 H 1 1.364 . . . . . . A 59 ARG HG3 . 19429 1 657 . 1 1 59 59 ARG HD2 H 1 2.946 . . . . . . A 59 ARG HD2 . 19429 1 658 . 1 1 59 59 ARG HD3 H 1 2.946 . . . . . . A 59 ARG HD3 . 19429 1 659 . 1 1 59 59 ARG C C 13 176.448 . . . . . . A 59 ARG C . 19429 1 660 . 1 1 59 59 ARG CA C 13 57.250 . . . . . . A 59 ARG CA . 19429 1 661 . 1 1 59 59 ARG CB C 13 31.058 . . . . . . A 59 ARG CB . 19429 1 662 . 1 1 59 59 ARG CG C 13 27.184 . . . . . . A 59 ARG CG . 19429 1 663 . 1 1 59 59 ARG CD C 13 42.994 . . . . . . A 59 ARG CD . 19429 1 664 . 1 1 59 59 ARG N N 15 116.243 . . . . . . A 59 ARG N . 19429 1 665 . 1 1 60 60 ASN H H 1 7.042 . . . . . . A 60 ASN H . 19429 1 666 . 1 1 60 60 ASN HA H 1 4.593 . . . . . . A 60 ASN HA . 19429 1 667 . 1 1 60 60 ASN HB2 H 1 1.614 . . . . . . A 60 ASN HB2 . 19429 1 668 . 1 1 60 60 ASN HB3 H 1 2.547 . . . . . . A 60 ASN HB3 . 19429 1 669 . 1 1 60 60 ASN C C 13 173.572 . . . . . . A 60 ASN C . 19429 1 670 . 1 1 60 60 ASN CA C 13 53.269 . . . . . . A 60 ASN CA . 19429 1 671 . 1 1 60 60 ASN CB C 13 39.208 . . . . . . A 60 ASN CB . 19429 1 672 . 1 1 60 60 ASN N N 15 115.424 . . . . . . A 60 ASN N . 19429 1 673 . 1 1 61 61 GLY H H 1 7.223 . . . . . . A 61 GLY H . 19429 1 674 . 1 1 61 61 GLY HA2 H 1 3.458 . . . . . . A 61 GLY HA2 . 19429 1 675 . 1 1 61 61 GLY HA3 H 1 3.860 . . . . . . A 61 GLY HA3 . 19429 1 676 . 1 1 61 61 GLY C C 13 175.621 . . . . . . A 61 GLY C . 19429 1 677 . 1 1 61 61 GLY CA C 13 45.868 . . . . . . A 61 GLY CA . 19429 1 678 . 1 1 61 61 GLY N N 15 103.144 . . . . . . A 61 GLY N . 19429 1 679 . 1 1 62 62 GLY H H 1 8.852 . . . . . . A 62 GLY H . 19429 1 680 . 1 1 62 62 GLY HA2 H 1 2.784 . . . . . . A 62 GLY HA2 . 19429 1 681 . 1 1 62 62 GLY HA3 H 1 3.962 . . . . . . A 62 GLY HA3 . 19429 1 682 . 1 1 62 62 GLY C C 13 172.688 . . . . . . A 62 GLY C . 19429 1 683 . 1 1 62 62 GLY CA C 13 45.287 . . . . . . A 62 GLY CA . 19429 1 684 . 1 1 62 62 GLY N N 15 109.290 . . . . . . A 62 GLY N . 19429 1 685 . 1 1 63 63 ILE H H 1 9.762 . . . . . . A 63 ILE H . 19429 1 686 . 1 1 63 63 ILE HA H 1 4.112 . . . . . . A 63 ILE HA . 19429 1 687 . 1 1 63 63 ILE HB H 1 1.391 . . . . . . A 63 ILE HB . 19429 1 688 . 1 1 63 63 ILE HG12 H 1 0.866 . . . . . . A 63 ILE HG12 . 19429 1 689 . 1 1 63 63 ILE HG13 H 1 0.866 . . . . . . A 63 ILE HG13 . 19429 1 690 . 1 1 63 63 ILE HG21 H 1 0.686 . . . . . . A 63 ILE HG21 . 19429 1 691 . 1 1 63 63 ILE HG22 H 1 0.686 . . . . . . A 63 ILE HG22 . 19429 1 692 . 1 1 63 63 ILE HG23 H 1 0.686 . . . . . . A 63 ILE HG23 . 19429 1 693 . 1 1 63 63 ILE HD11 H 1 0.622 . . . . . . A 63 ILE HD11 . 19429 1 694 . 1 1 63 63 ILE HD12 H 1 0.622 . . . . . . A 63 ILE HD12 . 19429 1 695 . 1 1 63 63 ILE HD13 H 1 0.622 . . . . . . A 63 ILE HD13 . 19429 1 696 . 1 1 63 63 ILE C C 13 175.057 . . . . . . A 63 ILE C . 19429 1 697 . 1 1 63 63 ILE CA C 13 60.094 . . . . . . A 63 ILE CA . 19429 1 698 . 1 1 63 63 ILE CB C 13 40.068 . . . . . . A 63 ILE CB . 19429 1 699 . 1 1 63 63 ILE CG1 C 13 26.872 . . . . . . A 63 ILE CG1 . 19429 1 700 . 1 1 63 63 ILE CG2 C 13 17.043 . . . . . . A 63 ILE CG2 . 19429 1 701 . 1 1 63 63 ILE CD1 C 13 12.584 . . . . . . A 63 ILE CD1 . 19429 1 702 . 1 1 63 63 ILE N N 15 131.206 . . . . . . A 63 ILE N . 19429 1 703 . 1 1 64 64 LYS H H 1 8.426 . . . . . . A 64 LYS H . 19429 1 704 . 1 1 64 64 LYS HA H 1 4.069 . . . . . . A 64 LYS HA . 19429 1 705 . 1 1 64 64 LYS HB2 H 1 1.319 . . . . . . A 64 LYS HB2 . 19429 1 706 . 1 1 64 64 LYS HB3 H 1 1.319 . . . . . . A 64 LYS HB3 . 19429 1 707 . 1 1 64 64 LYS HG2 H 1 1.158 . . . . . . A 64 LYS HG2 . 19429 1 708 . 1 1 64 64 LYS HG3 H 1 1.158 . . . . . . A 64 LYS HG3 . 19429 1 709 . 1 1 64 64 LYS C C 13 175.752 . . . . . . A 64 LYS C . 19429 1 710 . 1 1 64 64 LYS CA C 13 55.625 . . . . . . A 64 LYS CA . 19429 1 711 . 1 1 64 64 LYS CB C 13 32.684 . . . . . . A 64 LYS CB . 19429 1 712 . 1 1 64 64 LYS CG C 13 25.052 . . . . . . A 64 LYS CG . 19429 1 713 . 1 1 64 64 LYS CD C 13 28.510 . . . . . . A 64 LYS CD . 19429 1 714 . 1 1 64 64 LYS CE C 13 41.524 . . . . . . A 64 LYS CE . 19429 1 715 . 1 1 64 64 LYS N N 15 127.381 . . . . . . A 64 LYS N . 19429 1 716 . 1 1 65 65 ASP H H 1 7.809 . . . . . . A 65 ASP H . 19429 1 717 . 1 1 65 65 ASP HA H 1 4.122 . . . . . . A 65 ASP HA . 19429 1 718 . 1 1 65 65 ASP HB2 H 1 1.884 . . . . . . A 65 ASP HB2 . 19429 1 719 . 1 1 65 65 ASP HB3 H 1 2.268 . . . . . . A 65 ASP HB3 . 19429 1 720 . 1 1 65 65 ASP C C 13 176.072 . . . . . . A 65 ASP C . 19429 1 721 . 1 1 65 65 ASP CA C 13 52.611 . . . . . . A 65 ASP CA . 19429 1 722 . 1 1 65 65 ASP CB C 13 40.688 . . . . . . A 65 ASP CB . 19429 1 723 . 1 1 65 65 ASP N N 15 121.111 . . . . . . A 65 ASP N . 19429 1 724 . 1 1 66 66 LEU H H 1 8.423 . . . . . . A 66 LEU H . 19429 1 725 . 1 1 66 66 LEU HA H 1 4.112 . . . . . . A 66 LEU HA . 19429 1 726 . 1 1 66 66 LEU HB2 H 1 1.418 . . . . . . A 66 LEU HB2 . 19429 1 727 . 1 1 66 66 LEU HB3 H 1 1.418 . . . . . . A 66 LEU HB3 . 19429 1 728 . 1 1 66 66 LEU HG H 1 1.409 . . . . . . A 66 LEU HG . 19429 1 729 . 1 1 66 66 LEU HD11 H 1 0.676 . . . . . . A 66 LEU HD11 . 19429 1 730 . 1 1 66 66 LEU HD12 H 1 0.676 . . . . . . A 66 LEU HD12 . 19429 1 731 . 1 1 66 66 LEU HD13 H 1 0.676 . . . . . . A 66 LEU HD13 . 19429 1 732 . 1 1 66 66 LEU HD21 H 1 0.568 . . . . . . A 66 LEU HD21 . 19429 1 733 . 1 1 66 66 LEU HD22 H 1 0.568 . . . . . . A 66 LEU HD22 . 19429 1 734 . 1 1 66 66 LEU HD23 H 1 0.568 . . . . . . A 66 LEU HD23 . 19429 1 735 . 1 1 66 66 LEU C C 13 177.782 . . . . . . A 66 LEU C . 19429 1 736 . 1 1 66 66 LEU CA C 13 54.996 . . . . . . A 66 LEU CA . 19429 1 737 . 1 1 66 66 LEU CB C 13 41.001 . . . . . . A 66 LEU CB . 19429 1 738 . 1 1 66 66 LEU CG C 13 26.690 . . . . . . A 66 LEU CG . 19429 1 739 . 1 1 66 66 LEU CD1 C 13 24.534 . . . . . . A 66 LEU CD1 . 19429 1 740 . 1 1 66 66 LEU CD2 C 13 22.341 . . . . . . A 66 LEU CD2 . 19429 1 741 . 1 1 66 66 LEU N N 15 126.03 . . . . . . A 66 LEU N . 19429 1 742 . 1 1 67 67 THR H H 1 8.146 . . . . . . A 67 THR H . 19429 1 743 . 1 1 67 67 THR HA H 1 3.902 . . . . . . A 67 THR HA . 19429 1 744 . 1 1 67 67 THR HB H 1 3.937 . . . . . . A 67 THR HB . 19429 1 745 . 1 1 67 67 THR HG21 H 1 0.996 . . . . . . A 67 THR HG21 . 19429 1 746 . 1 1 67 67 THR HG22 H 1 0.996 . . . . . . A 67 THR HG22 . 19429 1 747 . 1 1 67 67 THR HG23 H 1 0.996 . . . . . . A 67 THR HG23 . 19429 1 748 . 1 1 67 67 THR C C 13 174.831 . . . . . . A 67 THR C . 19429 1 749 . 1 1 67 67 THR CA C 13 63.301 . . . . . . A 67 THR CA . 19429 1 750 . 1 1 67 67 THR CB C 13 69.221 . . . . . . A 67 THR CB . 19429 1 751 . 1 1 67 67 THR CG2 C 13 21.230 . . . . . . A 67 THR CG2 . 19429 1 752 . 1 1 67 67 THR N N 15 113.448 . . . . . . A 67 THR N . 19429 1 753 . 2 2 1 1 ASP HA H 1 4.485 . . . . . . B 1 ASP HA . 19429 1 754 . 2 2 2 2 LEU H H 1 9.057 . . . . . . B 2 LEU H . 19429 1 755 . 2 2 2 2 LEU HA H 1 3.893 . . . . . . B 2 LEU HA . 19429 1 756 . 2 2 2 2 LEU HB2 H 1 1.505 . . . . . . B 2 LEU HB2 . 19429 1 757 . 2 2 2 2 LEU HB3 H 1 1.505 . . . . . . B 2 LEU HB3 . 19429 1 758 . 2 2 2 2 LEU HG H 1 1.505 . . . . . . B 2 LEU HG . 19429 1 759 . 2 2 2 2 LEU HD11 H 1 0.516 . . . . . . B 2 LEU HD11 . 19429 1 760 . 2 2 2 2 LEU HD12 H 1 0.516 . . . . . . B 2 LEU HD12 . 19429 1 761 . 2 2 2 2 LEU HD13 H 1 0.516 . . . . . . B 2 LEU HD13 . 19429 1 762 . 2 2 2 2 LEU HD21 H 1 0.138 . . . . . . B 2 LEU HD21 . 19429 1 763 . 2 2 2 2 LEU HD22 H 1 0.138 . . . . . . B 2 LEU HD22 . 19429 1 764 . 2 2 2 2 LEU HD23 H 1 0.138 . . . . . . B 2 LEU HD23 . 19429 1 765 . 2 2 3 3 LEU H H 1 7.942 . . . . . . B 3 LEU H . 19429 1 766 . 2 2 3 3 LEU HA H 1 4.092 . . . . . . B 3 LEU HA . 19429 1 767 . 2 2 3 3 LEU HB2 H 1 1.872 . . . . . . B 3 LEU HB2 . 19429 1 768 . 2 2 3 3 LEU HB3 H 1 1.387 . . . . . . B 3 LEU HB3 . 19429 1 769 . 2 2 3 3 LEU HG H 1 1.510 . . . . . . B 3 LEU HG . 19429 1 770 . 2 2 3 3 LEU HD11 H 1 0.709 . . . . . . B 3 LEU HD11 . 19429 1 771 . 2 2 3 3 LEU HD12 H 1 0.709 . . . . . . B 3 LEU HD12 . 19429 1 772 . 2 2 3 3 LEU HD13 H 1 0.709 . . . . . . B 3 LEU HD13 . 19429 1 773 . 2 2 3 3 LEU HD21 H 1 0.600 . . . . . . B 3 LEU HD21 . 19429 1 774 . 2 2 3 3 LEU HD22 H 1 0.600 . . . . . . B 3 LEU HD22 . 19429 1 775 . 2 2 3 3 LEU HD23 H 1 0.600 . . . . . . B 3 LEU HD23 . 19429 1 776 . 2 2 3 3 LEU CA C 13 57.887 . . . . . . B 3 LEU CA . 19429 1 777 . 2 2 3 3 LEU CB C 13 40.400 . . . . . . B 3 LEU CB . 19429 1 778 . 2 2 3 3 LEU CG C 13 27.880 . . . . . . B 3 LEU CG . 19429 1 779 . 2 2 3 3 LEU CD1 C 13 25.400 . . . . . . B 3 LEU CD1 . 19429 1 780 . 2 2 3 3 LEU CD2 C 13 24.500 . . . . . . B 3 LEU CD2 . 19429 1 781 . 2 2 3 3 LEU N N 15 117.944 . . . . . . B 3 LEU N . 19429 1 782 . 2 2 4 4 ASN H H 1 7.896 . . . . . . B 4 ASN H . 19429 1 783 . 2 2 4 4 ASN HA H 1 3.902 . . . . . . B 4 ASN HA . 19429 1 784 . 2 2 4 4 ASN HB2 H 1 2.105 . . . . . . B 4 ASN HB2 . 19429 1 785 . 2 2 4 4 ASN HB3 H 1 1.708 . . . . . . B 4 ASN HB3 . 19429 1 786 . 2 2 5 5 LEU H H 1 7.188 . . . . . . B 5 LEU H . 19429 1 787 . 2 2 5 5 LEU HA H 1 3.770 . . . . . . B 5 LEU HA . 19429 1 788 . 2 2 5 5 LEU HB2 H 1 1.517 . . . . . . B 5 LEU HB2 . 19429 1 789 . 2 2 5 5 LEU HB3 H 1 0.812 . . . . . . B 5 LEU HB3 . 19429 1 790 . 2 2 5 5 LEU HG H 1 1.630 . . . . . . B 5 LEU HG . 19429 1 791 . 2 2 5 5 LEU HD11 H 1 0.611 . . . . . . B 5 LEU HD11 . 19429 1 792 . 2 2 5 5 LEU HD12 H 1 0.611 . . . . . . B 5 LEU HD12 . 19429 1 793 . 2 2 5 5 LEU HD13 H 1 0.611 . . . . . . B 5 LEU HD13 . 19429 1 794 . 2 2 5 5 LEU HD21 H 1 0.551 . . . . . . B 5 LEU HD21 . 19429 1 795 . 2 2 5 5 LEU HD22 H 1 0.551 . . . . . . B 5 LEU HD22 . 19429 1 796 . 2 2 5 5 LEU HD23 H 1 0.551 . . . . . . B 5 LEU HD23 . 19429 1 797 . 2 2 5 5 LEU CA C 13 56.560 . . . . . . B 5 LEU CA . 19429 1 798 . 2 2 5 5 LEU CB C 13 41.000 . . . . . . B 5 LEU CB . 19429 1 799 . 2 2 5 5 LEU CG C 13 26.400 . . . . . . B 5 LEU CG . 19429 1 800 . 2 2 5 5 LEU CD1 C 13 26.000 . . . . . . B 5 LEU CD1 . 19429 1 801 . 2 2 5 5 LEU CD2 C 13 22.060 . . . . . . B 5 LEU CD2 . 19429 1 802 . 2 2 5 5 LEU N N 15 116.848 . . . . . . B 5 LEU N . 19429 1 803 . 2 2 6 6 PHE H H 1 7.176 . . . . . . B 6 PHE H . 19429 1 804 . 2 2 6 6 PHE HA H 1 3.907 . . . . . . B 6 PHE HA . 19429 1 805 . 2 2 6 6 PHE HB2 H 1 3.259 . . . . . . B 6 PHE HB2 . 19429 1 806 . 2 2 6 6 PHE HB3 H 1 2.739 . . . . . . B 6 PHE HB3 . 19429 1 807 . 2 2 6 6 PHE HD1 H 1 7.315 . . . . . . B 6 PHE HD1 . 19429 1 808 . 2 2 6 6 PHE HD2 H 1 7.315 . . . . . . B 6 PHE HD2 . 19429 1 809 . 2 2 6 6 PHE HE1 H 1 6.915 . . . . . . B 6 PHE HE1 . 19429 1 810 . 2 2 6 6 PHE HE2 H 1 6.915 . . . . . . B 6 PHE HE2 . 19429 1 811 . 2 2 6 6 PHE HZ H 1 6.348 . . . . . . B 6 PHE HZ . 19429 1 812 . 2 2 7 7 ASN H H 1 7.437 . . . . . . B 7 ASN H . 19429 1 813 . 2 2 7 7 ASN HA H 1 4.521 . . . . . . B 7 ASN HA . 19429 1 814 . 2 2 7 7 ASN HB2 H 1 2.734 . . . . . . B 7 ASN HB2 . 19429 1 815 . 2 2 7 7 ASN HB3 H 1 2.568 . . . . . . B 7 ASN HB3 . 19429 1 816 . 2 2 8 8 GLN H H 1 7.795 . . . . . . B 8 GLN H . 19429 1 817 . 2 2 8 8 GLN HA H 1 4.386 . . . . . . B 8 GLN HA . 19429 1 818 . 2 2 8 8 GLN HB2 H 1 2.568 . . . . . . B 8 GLN HB2 . 19429 1 819 . 2 2 8 8 GLN HB3 H 1 2.568 . . . . . . B 8 GLN HB3 . 19429 1 stop_ save_