data_19023 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19023 _Entry.Title ; Solution structure and sigma factor interactions of Mycobacterium tuberculosis RNA polymerase binding protein A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-11 _Entry.Accession_date 2013-02-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Alessio Bortoluzzi . . . 19023 2 Frederick Muskett . W. . 19023 3 Lorna Waters . C. . 19023 4 Philip Adiss . W. . 19023 5 Barbara Rieck . . . 19023 6 Thomas Munder . . . 19023 7 Susanne Schleier . . . 19023 8 Francesca Forti . . . 19023 9 Daniela Ghisotti . . . 19023 10 Mark Carr . D. . 19023 11 Helen O'Hare . M . 19023 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' . 19023 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 19023 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19023 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 252 19023 '15N chemical shifts' 76 19023 '1H chemical shifts' 485 19023 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 . . 2013-06-21 2013-02-11 update BMRB 'update entry citation' 19023 1 . . 2013-04-11 2013-02-11 original author 'original release' 19023 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M4V 'BMRB Entry Tracking System' 19023 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19023 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23548911 _Citation.Full_citation . _Citation.Title 'Structural characterization of Mycobacterium tuberculosis RNA polymerase binding protein A (RbpA) and its interactions with sigma factors' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 288 _Citation.Journal_issue 20 _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 14438 _Citation.Page_last 14450 _Citation.Year 2013 _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 Alessio Bortoluzzi . . . 19023 1 2 Frederick Muskett . W. . 19023 1 3 Lorna Waters . C. . 19023 1 4 Philip Adiss . W. . 19023 1 5 Barbara Rieck . . . 19023 1 6 Thomas Munder . . . 19023 1 7 Susanne Schleier . . . 19023 1 8 Francesca Forti . . . 19023 1 9 Daniela Ghisotti . . . 19023 1 10 Mark Carr . D. . 19023 1 11 Helen O'Hare . M . 19023 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19023 _Assembly.ID 1 _Assembly.Name 'RNA polymerase binding protein A (RbpA)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNA polymerase binding protein A (RbpA)' 1 $entity A . yes native no no . . . 19023 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19023 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; SMADRVLRGSRLGAVSYETD RNHDLAPRQIARYRTDNGEE FEVPFADDAEIPGTWLCRNG MEGTLIEGDLPEPKKVKPPR ; _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 80 _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 9026.145 _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 19149 . RbpA . . . . . 57.50 46 100.00 100.00 1.42e-24 . . . . 19023 1 2 no PDB 2M4V . "Mycobacterium Tuberculosis Rna Polymerase Binding Protein A (rbpa) And Its Interactions With Sigma Factors" . . . . . 100.00 80 100.00 100.00 8.44e-51 . . . . 19023 1 3 no PDB 2M6P . "The Actinobacterial Transcription Factor Rbpa Binds To The Principal Sigma Subunit Of Rna Polymerase" . . . . . 57.50 46 100.00 100.00 1.42e-24 . . . . 19023 1 4 no PDB 4X8K . "Mycobacterium Tuberculosis Rbpa-sid In Complex With Sigmaa Domain 2" . . . . . 71.25 89 100.00 100.00 4.24e-33 . . . . 19023 1 5 no DBJ BAH26349 . "hypothetical protein JTY_2064 [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 98.75 111 100.00 100.00 3.84e-50 . . . . 19023 1 6 no DBJ BAL66056 . "hypothetical protein ERDMAN_2263 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 82.50 98 98.48 100.00 3.48e-40 . . . . 19023 1 7 no DBJ BAN31760 . "hypothetical protein MAH_2686 [Mycobacterium avium subsp. hominissuis TH135]" . . . . . 98.75 111 98.73 100.00 1.36e-49 . . . . 19023 1 8 no DBJ BAQ06108 . "hypothetical protein KURONO_2312 [Mycobacterium tuberculosis str. Kurono]" . . . . . 82.50 98 98.48 100.00 3.48e-40 . . . . 19023 1 9 no DBJ GAA45755 . "hypothetical protein NCGM2209_2382 [Mycobacterium tuberculosis NCGM2209]" . . . . . 82.50 98 98.48 100.00 3.48e-40 . . . . 19023 1 10 no EMBL CAB11301 . "hypothetical protein MLCB2052.03c [Mycobacterium leprae]" . . . . . 98.75 113 97.47 98.73 1.84e-48 . . . . 19023 1 11 no EMBL CAC30389 . "conserved hypothetical protein [Mycobacterium leprae]" . . . . . 98.75 111 97.47 98.73 1.44e-48 . . . . 19023 1 12 no EMBL CAL72057 . "Conserved hypothetical protein [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 98.75 111 100.00 100.00 3.84e-50 . . . . 19023 1 13 no EMBL CAR71533 . "conserved hypothetical protein [Mycobacterium leprae Br4923]" . . . . . 98.75 111 97.47 98.73 1.44e-48 . . . . 19023 1 14 no EMBL CCC27135 . "conserved hypothetical protein [Mycobacterium africanum GM041182]" . . . . . 98.75 111 100.00 100.00 3.84e-50 . . . . 19023 1 15 no GB AAK46389 . "conserved hypothetical protein [Mycobacterium tuberculosis CDC1551]" . . . . . 98.75 111 100.00 100.00 3.84e-50 . . . . 19023 1 16 no GB AAS04115 . "hypothetical protein MAP_1798 [Mycobacterium avium subsp. paratuberculosis K-10]" . . . . . 98.75 111 98.73 100.00 1.36e-49 . . . . 19023 1 17 no GB ABK68564 . "conserved hypothetical protein [Mycobacterium avium 104]" . . . . . 82.50 98 96.97 100.00 1.35e-39 . . . . 19023 1 18 no GB ABQ73825 . "hypothetical protein MRA_2065 [Mycobacterium tuberculosis H37Ra]" . . . . . 98.75 111 100.00 100.00 3.84e-50 . . . . 19023 1 19 no GB ABR06418 . "conserved hypothetical protein [Mycobacterium tuberculosis F11]" . . . . . 98.75 111 100.00 100.00 3.84e-50 . . . . 19023 1 20 no REF NP_216566 . "RNA polymerase-binding protein RbpA [Mycobacterium tuberculosis H37Rv]" . . . . . 98.75 111 100.00 100.00 3.84e-50 . . . . 19023 1 21 no REF NP_302017 . "hypothetical protein ML1439 [Mycobacterium leprae TN]" . . . . . 98.75 111 97.47 98.73 1.44e-48 . . . . 19023 1 22 no REF NP_855726 . "hypothetical protein Mb2076 [Mycobacterium bovis AF2122/97]" . . . . . 98.75 111 100.00 100.00 3.84e-50 . . . . 19023 1 23 no REF WP_003410601 . "MULTISPECIES: RNA polymerase-binding protein RbpA [Mycobacterium]" . . . . . 98.75 111 100.00 100.00 3.84e-50 . . . . 19023 1 24 no REF WP_003872122 . "MULTISPECIES: RNA polymerase-binding protein RbpA [Mycobacterium avium complex (MAC)]" . . . . . 98.75 111 98.73 100.00 1.36e-49 . . . . 19023 1 25 no SP P9WHJ4 . "RecName: Full=RNA polymerase-binding protein RbpA" . . . . . 98.75 111 100.00 100.00 3.84e-50 . . . . 19023 1 26 no SP P9WHJ5 . "RecName: Full=RNA polymerase-binding protein RbpA" . . . . . 98.75 111 100.00 100.00 3.84e-50 . . . . 19023 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 . SER . 19023 1 2 . MET . 19023 1 3 . ALA . 19023 1 4 . ASP . 19023 1 5 . ARG . 19023 1 6 . VAL . 19023 1 7 . LEU . 19023 1 8 . ARG . 19023 1 9 . GLY . 19023 1 10 . SER . 19023 1 11 . ARG . 19023 1 12 . LEU . 19023 1 13 . GLY . 19023 1 14 . ALA . 19023 1 15 . VAL . 19023 1 16 . SER . 19023 1 17 . TYR . 19023 1 18 . GLU . 19023 1 19 . THR . 19023 1 20 . ASP . 19023 1 21 . ARG . 19023 1 22 . ASN . 19023 1 23 . HIS . 19023 1 24 . ASP . 19023 1 25 . LEU . 19023 1 26 . ALA . 19023 1 27 . PRO . 19023 1 28 . ARG . 19023 1 29 . GLN . 19023 1 30 . ILE . 19023 1 31 . ALA . 19023 1 32 . ARG . 19023 1 33 . TYR . 19023 1 34 . ARG . 19023 1 35 . THR . 19023 1 36 . ASP . 19023 1 37 . ASN . 19023 1 38 . GLY . 19023 1 39 . GLU . 19023 1 40 . GLU . 19023 1 41 . PHE . 19023 1 42 . GLU . 19023 1 43 . VAL . 19023 1 44 . PRO . 19023 1 45 . PHE . 19023 1 46 . ALA . 19023 1 47 . ASP . 19023 1 48 . ASP . 19023 1 49 . ALA . 19023 1 50 . GLU . 19023 1 51 . ILE . 19023 1 52 . PRO . 19023 1 53 . GLY . 19023 1 54 . THR . 19023 1 55 . TRP . 19023 1 56 . LEU . 19023 1 57 . CYS . 19023 1 58 . ARG . 19023 1 59 . ASN . 19023 1 60 . GLY . 19023 1 61 . MET . 19023 1 62 . GLU . 19023 1 63 . GLY . 19023 1 64 . THR . 19023 1 65 . LEU . 19023 1 66 . ILE . 19023 1 67 . GLU . 19023 1 68 . GLY . 19023 1 69 . ASP . 19023 1 70 . LEU . 19023 1 71 . PRO . 19023 1 72 . GLU . 19023 1 73 . PRO . 19023 1 74 . LYS . 19023 1 75 . LYS . 19023 1 76 . VAL . 19023 1 77 . LYS . 19023 1 78 . PRO . 19023 1 79 . PRO . 19023 1 80 . ARG . 19023 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 . SER 1 1 19023 1 . MET 2 2 19023 1 . ALA 3 3 19023 1 . ASP 4 4 19023 1 . ARG 5 5 19023 1 . VAL 6 6 19023 1 . LEU 7 7 19023 1 . ARG 8 8 19023 1 . GLY 9 9 19023 1 . SER 10 10 19023 1 . ARG 11 11 19023 1 . LEU 12 12 19023 1 . GLY 13 13 19023 1 . ALA 14 14 19023 1 . VAL 15 15 19023 1 . SER 16 16 19023 1 . TYR 17 17 19023 1 . GLU 18 18 19023 1 . THR 19 19 19023 1 . ASP 20 20 19023 1 . ARG 21 21 19023 1 . ASN 22 22 19023 1 . HIS 23 23 19023 1 . ASP 24 24 19023 1 . LEU 25 25 19023 1 . ALA 26 26 19023 1 . PRO 27 27 19023 1 . ARG 28 28 19023 1 . GLN 29 29 19023 1 . ILE 30 30 19023 1 . ALA 31 31 19023 1 . ARG 32 32 19023 1 . TYR 33 33 19023 1 . ARG 34 34 19023 1 . THR 35 35 19023 1 . ASP 36 36 19023 1 . ASN 37 37 19023 1 . GLY 38 38 19023 1 . GLU 39 39 19023 1 . GLU 40 40 19023 1 . PHE 41 41 19023 1 . GLU 42 42 19023 1 . VAL 43 43 19023 1 . PRO 44 44 19023 1 . PHE 45 45 19023 1 . ALA 46 46 19023 1 . ASP 47 47 19023 1 . ASP 48 48 19023 1 . ALA 49 49 19023 1 . GLU 50 50 19023 1 . ILE 51 51 19023 1 . PRO 52 52 19023 1 . GLY 53 53 19023 1 . THR 54 54 19023 1 . TRP 55 55 19023 1 . LEU 56 56 19023 1 . CYS 57 57 19023 1 . ARG 58 58 19023 1 . ASN 59 59 19023 1 . GLY 60 60 19023 1 . MET 61 61 19023 1 . GLU 62 62 19023 1 . GLY 63 63 19023 1 . THR 64 64 19023 1 . LEU 65 65 19023 1 . ILE 66 66 19023 1 . GLU 67 67 19023 1 . GLY 68 68 19023 1 . ASP 69 69 19023 1 . LEU 70 70 19023 1 . PRO 71 71 19023 1 . GLU 72 72 19023 1 . PRO 73 73 19023 1 . LYS 74 74 19023 1 . LYS 75 75 19023 1 . VAL 76 76 19023 1 . LYS 77 77 19023 1 . PRO 78 78 19023 1 . PRO 79 79 19023 1 . ARG 80 80 19023 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 19023 _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 . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 19023 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 19023 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-43.1a(+) . . . . . . 19023 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19023 _Sample.ID 1 _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 RbpA [U-15N] . . 1 $entity . . . 0.30 0.35 mM . . . . 19023 1 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19023 1 3 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19023 1 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 19023 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 19023 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 19023 1 7 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 19023 1 8 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 0.2 . . mM . . . . 19023 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19023 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 RbpA '[U-13C; U-15N]-His-Phe-Tyr-Trp' . . 1 $entity . . . 0.30 0.35 mM . . . . 19023 2 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19023 2 3 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19023 2 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 19023 2 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 19023 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 19023 2 7 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 19023 2 8 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 0.2 . . mM . . . . 19023 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19023 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 RbpA [U-15N] . . 1 $entity . . . 0.30 0.35 mM . . . . 19023 3 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19023 3 3 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19023 3 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 19023 3 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 19023 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 19023 3 7 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 19023 3 8 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 0.2 . . mM . . . . 19023 3 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 19023 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 19023 1 pH 6.5 . pH 19023 1 pressure 1 . atm 19023 1 temperature 308 . K 19023 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19023 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19023 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19023 1 processing 19023 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19023 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19023 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19023 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19023 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19023 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19023 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19023 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19023 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19023 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19023 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 19023 _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_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19023 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19023 _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 Avance . 600 . . . 19023 1 2 spectrometer_2 Bruker DRX . 600 . . . 19023 1 3 spectrometer_3 Bruker 'Avance II' . 800 . . . 19023 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 19023 _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 TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19023 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19023 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19023 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19023 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19023 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19023 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19023 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19023 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 19023 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19023 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19023 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19023 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 19023 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 19023 1 2 '2D 1H-1H NOESY' . . . 19023 1 3 '2D 1H-15N HSQC' . . . 19023 1 4 '3D 1H-15N NOESY' . . . 19023 1 5 '3D HNCACB' . . . 19023 1 6 '3D HNCO' . . . 19023 1 7 '3D 1H-13C NOESY' . . . 19023 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 MET C C 13 176.340 0.400 . 1 . . . A 2 MET C . 19023 1 2 . 1 1 2 2 MET CA C 13 56.327 0.400 . 1 . . . A 2 MET CA . 19023 1 3 . 1 1 3 3 ALA H H 1 8.326 0.020 . 1 . . . A 3 ALA H . 19023 1 4 . 1 1 3 3 ALA HA H 1 4.281 0.020 . 1 . . . A 3 ALA HA . 19023 1 5 . 1 1 3 3 ALA HB1 H 1 1.400 0.020 . 1 . . . A 3 ALA HB . 19023 1 6 . 1 1 3 3 ALA HB2 H 1 1.400 0.020 . 1 . . . A 3 ALA HB . 19023 1 7 . 1 1 3 3 ALA HB3 H 1 1.400 0.020 . 1 . . . A 3 ALA HB . 19023 1 8 . 1 1 3 3 ALA CA C 13 53.025 0.400 . 1 . . . A 3 ALA CA . 19023 1 9 . 1 1 3 3 ALA CB C 13 19.086 0.400 . 1 . . . A 3 ALA CB . 19023 1 10 . 1 1 3 3 ALA N N 15 124.076 0.400 . 1 . . . A 3 ALA N . 19023 1 11 . 1 1 4 4 ASP H H 1 8.049 0.020 . 1 . . . A 4 ASP H . 19023 1 12 . 1 1 4 4 ASP HA H 1 4.549 0.020 . 1 . . . A 4 ASP HA . 19023 1 13 . 1 1 4 4 ASP HB2 H 1 2.696 0.020 . 2 . . . A 4 ASP HB2 . 19023 1 14 . 1 1 4 4 ASP HB3 H 1 2.696 0.020 . 2 . . . A 4 ASP HB3 . 19023 1 15 . 1 1 4 4 ASP C C 13 176.499 0.400 . 1 . . . A 4 ASP C . 19023 1 16 . 1 1 4 4 ASP CA C 13 54.797 0.400 . 1 . . . A 4 ASP CA . 19023 1 17 . 1 1 4 4 ASP CB C 13 41.188 0.400 . 1 . . . A 4 ASP CB . 19023 1 18 . 1 1 4 4 ASP N N 15 118.673 0.400 . 1 . . . A 4 ASP N . 19023 1 19 . 1 1 5 5 ARG H H 1 8.058 0.020 . 1 . . . A 5 ARG H . 19023 1 20 . 1 1 5 5 ARG HA H 1 4.308 0.020 . 1 . . . A 5 ARG HA . 19023 1 21 . 1 1 5 5 ARG HB2 H 1 1.857 0.020 . 2 . . . A 5 ARG HB2 . 19023 1 22 . 1 1 5 5 ARG HB3 H 1 1.662 0.020 . 2 . . . A 5 ARG HB3 . 19023 1 23 . 1 1 5 5 ARG HD2 H 1 3.223 0.020 . 2 . . . A 5 ARG HD2 . 19023 1 24 . 1 1 5 5 ARG HD3 H 1 3.223 0.020 . 2 . . . A 5 ARG HD3 . 19023 1 25 . 1 1 5 5 ARG C C 13 176.469 0.400 . 1 . . . A 5 ARG C . 19023 1 26 . 1 1 5 5 ARG CA C 13 56.584 0.400 . 1 . . . A 5 ARG CA . 19023 1 27 . 1 1 5 5 ARG CB C 13 30.752 0.400 . 1 . . . A 5 ARG CB . 19023 1 28 . 1 1 5 5 ARG N N 15 120.383 0.400 . 1 . . . A 5 ARG N . 19023 1 29 . 1 1 6 6 VAL H H 1 8.020 0.020 . 1 . . . A 6 VAL H . 19023 1 30 . 1 1 6 6 VAL HA H 1 4.059 0.020 . 1 . . . A 6 VAL HA . 19023 1 31 . 1 1 6 6 VAL HB H 1 2.084 0.020 . 1 . . . A 6 VAL HB . 19023 1 32 . 1 1 6 6 VAL HG11 H 1 0.953 0.020 . 2 . . . A 6 VAL HG1 . 19023 1 33 . 1 1 6 6 VAL HG12 H 1 0.953 0.020 . 2 . . . A 6 VAL HG1 . 19023 1 34 . 1 1 6 6 VAL HG13 H 1 0.953 0.020 . 2 . . . A 6 VAL HG1 . 19023 1 35 . 1 1 6 6 VAL HG21 H 1 0.925 0.020 . 2 . . . A 6 VAL HG2 . 19023 1 36 . 1 1 6 6 VAL HG22 H 1 0.925 0.020 . 2 . . . A 6 VAL HG2 . 19023 1 37 . 1 1 6 6 VAL HG23 H 1 0.925 0.020 . 2 . . . A 6 VAL HG2 . 19023 1 38 . 1 1 6 6 VAL C C 13 176.285 0.400 . 1 . . . A 6 VAL C . 19023 1 39 . 1 1 6 6 VAL CA C 13 62.747 0.400 . 1 . . . A 6 VAL CA . 19023 1 40 . 1 1 6 6 VAL CB C 13 32.600 0.400 . 1 . . . A 6 VAL CB . 19023 1 41 . 1 1 6 6 VAL CG1 C 13 21.103 0.400 . 1 . . . A 6 VAL CG1 . 19023 1 42 . 1 1 6 6 VAL CG2 C 13 21.081 0.400 . 1 . . . A 6 VAL CG2 . 19023 1 43 . 1 1 6 6 VAL N N 15 120.669 0.400 . 1 . . . A 6 VAL N . 19023 1 44 . 1 1 7 7 LEU H H 1 8.235 0.020 . 1 . . . A 7 LEU H . 19023 1 45 . 1 1 7 7 LEU HA H 1 4.362 0.020 . 1 . . . A 7 LEU HA . 19023 1 46 . 1 1 7 7 LEU HB2 H 1 1.626 0.020 . 2 . . . A 7 LEU HB2 . 19023 1 47 . 1 1 7 7 LEU HB3 H 1 1.579 0.020 . 2 . . . A 7 LEU HB3 . 19023 1 48 . 1 1 7 7 LEU HG H 1 1.671 0.020 . 1 . . . A 7 LEU HG . 19023 1 49 . 1 1 7 7 LEU HD11 H 1 0.931 0.020 . 2 . . . A 7 LEU HD1 . 19023 1 50 . 1 1 7 7 LEU HD12 H 1 0.931 0.020 . 2 . . . A 7 LEU HD1 . 19023 1 51 . 1 1 7 7 LEU HD13 H 1 0.931 0.020 . 2 . . . A 7 LEU HD1 . 19023 1 52 . 1 1 7 7 LEU HD21 H 1 0.873 0.020 . 2 . . . A 7 LEU HD2 . 19023 1 53 . 1 1 7 7 LEU HD22 H 1 0.873 0.020 . 2 . . . A 7 LEU HD2 . 19023 1 54 . 1 1 7 7 LEU HD23 H 1 0.873 0.020 . 2 . . . A 7 LEU HD2 . 19023 1 55 . 1 1 7 7 LEU C C 13 177.360 0.400 . 1 . . . A 7 LEU C . 19023 1 56 . 1 1 7 7 LEU CA C 13 55.196 0.400 . 1 . . . A 7 LEU CA . 19023 1 57 . 1 1 7 7 LEU CB C 13 42.304 0.400 . 1 . . . A 7 LEU CB . 19023 1 58 . 1 1 7 7 LEU N N 15 125.547 0.400 . 1 . . . A 7 LEU N . 19023 1 59 . 1 1 8 8 ARG H H 1 8.280 0.020 . 1 . . . A 8 ARG H . 19023 1 60 . 1 1 8 8 ARG HA H 1 4.345 0.020 . 1 . . . A 8 ARG HA . 19023 1 61 . 1 1 8 8 ARG HB2 H 1 1.813 0.020 . 2 . . . A 8 ARG HB2 . 19023 1 62 . 1 1 8 8 ARG HB3 H 1 1.813 0.020 . 2 . . . A 8 ARG HB3 . 19023 1 63 . 1 1 8 8 ARG HG2 H 1 1.655 0.020 . 2 . . . A 8 ARG HG2 . 19023 1 64 . 1 1 8 8 ARG HG3 H 1 1.655 0.020 . 2 . . . A 8 ARG HG3 . 19023 1 65 . 1 1 8 8 ARG HD2 H 1 3.207 0.020 . 2 . . . A 8 ARG HD2 . 19023 1 66 . 1 1 8 8 ARG HD3 H 1 3.207 0.020 . 2 . . . A 8 ARG HD3 . 19023 1 67 . 1 1 8 8 ARG C C 13 177.802 0.400 . 1 . . . A 8 ARG C . 19023 1 68 . 1 1 8 8 ARG CA C 13 56.374 0.400 . 1 . . . A 8 ARG CA . 19023 1 69 . 1 1 8 8 ARG CB C 13 30.841 0.400 . 1 . . . A 8 ARG CB . 19023 1 70 . 1 1 8 8 ARG N N 15 121.734 0.400 . 1 . . . A 8 ARG N . 19023 1 71 . 1 1 9 9 GLY H H 1 8.354 0.020 . 1 . . . A 9 GLY H . 19023 1 72 . 1 1 9 9 GLY C C 13 174.225 0.400 . 1 . . . A 9 GLY C . 19023 1 73 . 1 1 9 9 GLY CA C 13 45.347 0.400 . 1 . . . A 9 GLY CA . 19023 1 74 . 1 1 9 9 GLY N N 15 109.647 0.400 . 1 . . . A 9 GLY N . 19023 1 75 . 1 1 10 10 SER H H 1 8.185 0.020 . 1 . . . A 10 SER H . 19023 1 76 . 1 1 10 10 SER HA H 1 4.475 0.020 . 1 . . . A 10 SER HA . 19023 1 77 . 1 1 10 10 SER HB2 H 1 3.891 0.020 . 2 . . . A 10 SER HB2 . 19023 1 78 . 1 1 10 10 SER HB3 H 1 3.891 0.020 . 2 . . . A 10 SER HB3 . 19023 1 79 . 1 1 10 10 SER C C 13 174.691 0.400 . 1 . . . A 10 SER C . 19023 1 80 . 1 1 10 10 SER CA C 13 58.446 0.400 . 1 . . . A 10 SER CA . 19023 1 81 . 1 1 10 10 SER CB C 13 64.049 0.400 . 1 . . . A 10 SER CB . 19023 1 82 . 1 1 10 10 SER N N 15 115.620 0.400 . 1 . . . A 10 SER N . 19023 1 83 . 1 1 11 11 ARG H H 1 8.386 0.020 . 1 . . . A 11 ARG H . 19023 1 84 . 1 1 11 11 ARG HA H 1 4.383 0.020 . 1 . . . A 11 ARG HA . 19023 1 85 . 1 1 11 11 ARG HB2 H 1 1.904 0.020 . 2 . . . A 11 ARG HB2 . 19023 1 86 . 1 1 11 11 ARG HB3 H 1 1.816 0.020 . 2 . . . A 11 ARG HB3 . 19023 1 87 . 1 1 11 11 ARG C C 13 176.278 0.400 . 1 . . . A 11 ARG C . 19023 1 88 . 1 1 11 11 ARG CA C 13 56.181 0.400 . 1 . . . A 11 ARG CA . 19023 1 89 . 1 1 11 11 ARG CB C 13 30.590 0.400 . 1 . . . A 11 ARG CB . 19023 1 90 . 1 1 11 11 ARG N N 15 122.715 0.400 . 1 . . . A 11 ARG N . 19023 1 91 . 1 1 12 12 LEU H H 1 8.217 0.020 . 1 . . . A 12 LEU H . 19023 1 92 . 1 1 12 12 LEU HA H 1 4.371 0.020 . 1 . . . A 12 LEU HA . 19023 1 93 . 1 1 12 12 LEU HB2 H 1 1.646 0.020 . 2 . . . A 12 LEU HB2 . 19023 1 94 . 1 1 12 12 LEU HB3 H 1 1.646 0.020 . 2 . . . A 12 LEU HB3 . 19023 1 95 . 1 1 12 12 LEU HD21 H 1 0.909 0.020 . 2 . . . A 12 LEU HD2 . 19023 1 96 . 1 1 12 12 LEU HD22 H 1 0.909 0.020 . 2 . . . A 12 LEU HD2 . 19023 1 97 . 1 1 12 12 LEU HD23 H 1 0.909 0.020 . 2 . . . A 12 LEU HD2 . 19023 1 98 . 1 1 12 12 LEU C C 13 176.823 0.400 . 1 . . . A 12 LEU C . 19023 1 99 . 1 1 12 12 LEU CA C 13 55.429 0.400 . 1 . . . A 12 LEU CA . 19023 1 100 . 1 1 12 12 LEU CB C 13 42.347 0.400 . 1 . . . A 12 LEU CB . 19023 1 101 . 1 1 12 12 LEU N N 15 122.775 0.400 . 1 . . . A 12 LEU N . 19023 1 102 . 1 1 13 13 GLY H H 1 8.338 0.020 . 1 . . . A 13 GLY H . 19023 1 103 . 1 1 13 13 GLY HA2 H 1 3.961 0.020 . 2 . . . A 13 GLY HA2 . 19023 1 104 . 1 1 13 13 GLY HA3 H 1 3.961 0.020 . 2 . . . A 13 GLY HA3 . 19023 1 105 . 1 1 13 13 GLY C C 13 173.740 0.400 . 1 . . . A 13 GLY C . 19023 1 106 . 1 1 13 13 GLY CA C 13 45.250 0.400 . 1 . . . A 13 GLY CA . 19023 1 107 . 1 1 13 13 GLY N N 15 109.772 0.400 . 1 . . . A 13 GLY N . 19023 1 108 . 1 1 14 14 ALA H H 1 8.047 0.020 . 1 . . . A 14 ALA H . 19023 1 109 . 1 1 14 14 ALA HA H 1 4.376 0.020 . 1 . . . A 14 ALA HA . 19023 1 110 . 1 1 14 14 ALA HB1 H 1 1.382 0.020 . 1 . . . A 14 ALA HB . 19023 1 111 . 1 1 14 14 ALA HB2 H 1 1.382 0.020 . 1 . . . A 14 ALA HB . 19023 1 112 . 1 1 14 14 ALA HB3 H 1 1.382 0.020 . 1 . . . A 14 ALA HB . 19023 1 113 . 1 1 14 14 ALA C C 13 177.684 0.400 . 1 . . . A 14 ALA C . 19023 1 114 . 1 1 14 14 ALA CA C 13 52.454 0.400 . 1 . . . A 14 ALA CA . 19023 1 115 . 1 1 14 14 ALA CB C 13 19.439 0.400 . 1 . . . A 14 ALA CB . 19023 1 116 . 1 1 14 14 ALA N N 15 123.692 0.400 . 1 . . . A 14 ALA N . 19023 1 117 . 1 1 15 15 VAL H H 1 8.042 0.020 . 1 . . . A 15 VAL H . 19023 1 118 . 1 1 15 15 VAL HA H 1 4.138 0.020 . 1 . . . A 15 VAL HA . 19023 1 119 . 1 1 15 15 VAL HB H 1 2.021 0.020 . 1 . . . A 15 VAL HB . 19023 1 120 . 1 1 15 15 VAL HG11 H 1 0.889 0.020 . 2 . . . A 15 VAL HG1 . 19023 1 121 . 1 1 15 15 VAL HG12 H 1 0.889 0.020 . 2 . . . A 15 VAL HG1 . 19023 1 122 . 1 1 15 15 VAL HG13 H 1 0.889 0.020 . 2 . . . A 15 VAL HG1 . 19023 1 123 . 1 1 15 15 VAL HG21 H 1 0.835 0.020 . 2 . . . A 15 VAL HG2 . 19023 1 124 . 1 1 15 15 VAL HG22 H 1 0.835 0.020 . 2 . . . A 15 VAL HG2 . 19023 1 125 . 1 1 15 15 VAL HG23 H 1 0.835 0.020 . 2 . . . A 15 VAL HG2 . 19023 1 126 . 1 1 15 15 VAL C C 13 175.925 0.400 . 1 . . . A 15 VAL C . 19023 1 127 . 1 1 15 15 VAL CA C 13 62.021 0.400 . 1 . . . A 15 VAL CA . 19023 1 128 . 1 1 15 15 VAL CB C 13 33.019 0.400 . 1 . . . A 15 VAL CB . 19023 1 129 . 1 1 15 15 VAL CG1 C 13 20.632 0.400 . 1 . . . A 15 VAL CG1 . 19023 1 130 . 1 1 15 15 VAL CG2 C 13 21.050 0.400 . 1 . . . A 15 VAL CG2 . 19023 1 131 . 1 1 15 15 VAL N N 15 118.835 0.400 . 1 . . . A 15 VAL N . 19023 1 132 . 1 1 16 16 SER H H 1 8.219 0.020 . 1 . . . A 16 SER H . 19023 1 133 . 1 1 16 16 SER HA H 1 4.475 0.020 . 1 . . . A 16 SER HA . 19023 1 134 . 1 1 16 16 SER HB2 H 1 3.807 0.020 . 2 . . . A 16 SER HB2 . 19023 1 135 . 1 1 16 16 SER HB3 H 1 3.807 0.020 . 2 . . . A 16 SER HB3 . 19023 1 136 . 1 1 16 16 SER C C 13 174.069 0.400 . 1 . . . A 16 SER C . 19023 1 137 . 1 1 16 16 SER CA C 13 57.828 0.400 . 1 . . . A 16 SER CA . 19023 1 138 . 1 1 16 16 SER CB C 13 64.013 0.400 . 1 . . . A 16 SER CB . 19023 1 139 . 1 1 16 16 SER N N 15 118.794 0.400 . 1 . . . A 16 SER N . 19023 1 140 . 1 1 17 17 TYR H H 1 8.199 0.020 . 1 . . . A 17 TYR H . 19023 1 141 . 1 1 17 17 TYR HA H 1 4.652 0.020 . 1 . . . A 17 TYR HA . 19023 1 142 . 1 1 17 17 TYR HB2 H 1 3.115 0.020 . 2 . . . A 17 TYR HB2 . 19023 1 143 . 1 1 17 17 TYR HB3 H 1 2.939 0.020 . 2 . . . A 17 TYR HB3 . 19023 1 144 . 1 1 17 17 TYR HD1 H 1 7.126 0.020 . 1 . . . A 17 TYR HD1 . 19023 1 145 . 1 1 17 17 TYR HD2 H 1 7.126 0.020 . 1 . . . A 17 TYR HD2 . 19023 1 146 . 1 1 17 17 TYR HE1 H 1 6.821 0.020 . 1 . . . A 17 TYR HE1 . 19023 1 147 . 1 1 17 17 TYR HE2 H 1 6.821 0.020 . 1 . . . A 17 TYR HE2 . 19023 1 148 . 1 1 17 17 TYR N N 15 122.260 0.400 . 1 . . . A 17 TYR N . 19023 1 149 . 1 1 18 18 GLU H H 1 8.383 0.020 . 1 . . . A 18 GLU H . 19023 1 150 . 1 1 18 18 GLU HA H 1 4.327 0.020 . 1 . . . A 18 GLU HA . 19023 1 151 . 1 1 18 18 GLU HB2 H 1 2.075 0.020 . 2 . . . A 18 GLU HB2 . 19023 1 152 . 1 1 18 18 GLU HB3 H 1 1.953 0.020 . 2 . . . A 18 GLU HB3 . 19023 1 153 . 1 1 18 18 GLU HG2 H 1 2.258 0.020 . 2 . . . A 18 GLU HG2 . 19023 1 154 . 1 1 18 18 GLU HG3 H 1 2.258 0.020 . 2 . . . A 18 GLU HG3 . 19023 1 155 . 1 1 18 18 GLU C C 13 176.661 0.400 . 1 . . . A 18 GLU C . 19023 1 156 . 1 1 18 18 GLU CA C 13 56.717 0.400 . 1 . . . A 18 GLU CA . 19023 1 157 . 1 1 18 18 GLU CB C 13 30.423 0.400 . 1 . . . A 18 GLU CB . 19023 1 158 . 1 1 18 18 GLU CG C 13 36.548 0.400 . 1 . . . A 18 GLU CG . 19023 1 159 . 1 1 18 18 GLU N N 15 121.782 0.400 . 1 . . . A 18 GLU N . 19023 1 160 . 1 1 19 19 THR H H 1 8.079 0.020 . 1 . . . A 19 THR H . 19023 1 161 . 1 1 19 19 THR HA H 1 4.325 0.020 . 1 . . . A 19 THR HA . 19023 1 162 . 1 1 19 19 THR HB H 1 4.257 0.020 . 1 . . . A 19 THR HB . 19023 1 163 . 1 1 19 19 THR HG21 H 1 1.217 0.020 . 1 . . . A 19 THR HG2 . 19023 1 164 . 1 1 19 19 THR HG22 H 1 1.217 0.020 . 1 . . . A 19 THR HG2 . 19023 1 165 . 1 1 19 19 THR HG23 H 1 1.217 0.020 . 1 . . . A 19 THR HG2 . 19023 1 166 . 1 1 19 19 THR C C 13 174.397 0.400 . 1 . . . A 19 THR C . 19023 1 167 . 1 1 19 19 THR CA C 13 62.085 0.400 . 1 . . . A 19 THR CA . 19023 1 168 . 1 1 19 19 THR CB C 13 69.671 0.400 . 1 . . . A 19 THR CB . 19023 1 169 . 1 1 19 19 THR CG2 C 13 21.559 0.400 . 1 . . . A 19 THR CG2 . 19023 1 170 . 1 1 19 19 THR N N 15 114.132 0.400 . 1 . . . A 19 THR N . 19023 1 171 . 1 1 20 20 ASP H H 1 8.321 0.020 . 1 . . . A 20 ASP H . 19023 1 172 . 1 1 20 20 ASP HA H 1 4.628 0.020 . 1 . . . A 20 ASP HA . 19023 1 173 . 1 1 20 20 ASP HB2 H 1 2.720 0.020 . 2 . . . A 20 ASP HB2 . 19023 1 174 . 1 1 20 20 ASP HB3 H 1 2.720 0.020 . 2 . . . A 20 ASP HB3 . 19023 1 175 . 1 1 20 20 ASP C C 13 176.376 0.400 . 1 . . . A 20 ASP C . 19023 1 176 . 1 1 20 20 ASP CA C 13 54.433 0.400 . 1 . . . A 20 ASP CA . 19023 1 177 . 1 1 20 20 ASP CB C 13 41.196 0.400 . 1 . . . A 20 ASP CB . 19023 1 178 . 1 1 20 20 ASP N N 15 122.401 0.400 . 1 . . . A 20 ASP N . 19023 1 179 . 1 1 21 21 ARG H H 1 8.189 0.020 . 1 . . . A 21 ARG H . 19023 1 180 . 1 1 21 21 ARG HA H 1 4.299 0.020 . 1 . . . A 21 ARG HA . 19023 1 181 . 1 1 21 21 ARG HB2 H 1 1.860 0.020 . 2 . . . A 21 ARG HB2 . 19023 1 182 . 1 1 21 21 ARG HB3 H 1 1.744 0.020 . 2 . . . A 21 ARG HB3 . 19023 1 183 . 1 1 21 21 ARG HG2 H 1 1.603 0.020 . 2 . . . A 21 ARG HG2 . 19023 1 184 . 1 1 21 21 ARG HG3 H 1 1.603 0.020 . 2 . . . A 21 ARG HG3 . 19023 1 185 . 1 1 21 21 ARG HD2 H 1 3.193 0.020 . 2 . . . A 21 ARG HD2 . 19023 1 186 . 1 1 21 21 ARG HD3 H 1 3.193 0.020 . 2 . . . A 21 ARG HD3 . 19023 1 187 . 1 1 21 21 ARG C C 13 176.202 0.400 . 1 . . . A 21 ARG C . 19023 1 188 . 1 1 21 21 ARG CA C 13 56.330 0.400 . 1 . . . A 21 ARG CA . 19023 1 189 . 1 1 21 21 ARG CB C 13 30.620 0.400 . 1 . . . A 21 ARG CB . 19023 1 190 . 1 1 21 21 ARG CG C 13 26.923 0.400 . 1 . . . A 21 ARG CG . 19023 1 191 . 1 1 21 21 ARG N N 15 121.010 0.400 . 1 . . . A 21 ARG N . 19023 1 192 . 1 1 22 22 ASN H H 1 8.373 0.020 . 1 . . . A 22 ASN H . 19023 1 193 . 1 1 22 22 ASN HA H 1 4.665 0.020 . 1 . . . A 22 ASN HA . 19023 1 194 . 1 1 22 22 ASN HB2 H 1 2.788 0.020 . 2 . . . A 22 ASN HB2 . 19023 1 195 . 1 1 22 22 ASN HB3 H 1 2.752 0.020 . 2 . . . A 22 ASN HB3 . 19023 1 196 . 1 1 22 22 ASN HD21 H 1 7.644 0.020 . 2 . . . A 22 ASN HD21 . 19023 1 197 . 1 1 22 22 ASN HD22 H 1 6.904 0.020 . 2 . . . A 22 ASN HD22 . 19023 1 198 . 1 1 22 22 ASN CA C 13 53.427 0.400 . 1 . . . A 22 ASN CA . 19023 1 199 . 1 1 22 22 ASN CB C 13 38.740 0.400 . 1 . . . A 22 ASN CB . 19023 1 200 . 1 1 22 22 ASN N N 15 118.684 0.400 . 1 . . . A 22 ASN N . 19023 1 201 . 1 1 22 22 ASN ND2 N 15 112.982 0.400 . 1 . . . A 22 ASN ND2 . 19023 1 202 . 1 1 24 24 ASP H H 1 8.309 0.020 . 1 . . . A 24 ASP H . 19023 1 203 . 1 1 24 24 ASP HA H 1 4.579 0.020 . 1 . . . A 24 ASP HA . 19023 1 204 . 1 1 24 24 ASP HB2 H 1 2.709 0.020 . 2 . . . A 24 ASP HB2 . 19023 1 205 . 1 1 24 24 ASP HB3 H 1 2.612 0.020 . 2 . . . A 24 ASP HB3 . 19023 1 206 . 1 1 24 24 ASP C C 13 176.115 0.400 . 1 . . . A 24 ASP C . 19023 1 207 . 1 1 24 24 ASP CA C 13 54.648 0.400 . 1 . . . A 24 ASP CA . 19023 1 208 . 1 1 24 24 ASP CB C 13 41.104 0.400 . 1 . . . A 24 ASP CB . 19023 1 209 . 1 1 24 24 ASP N N 15 120.787 0.400 . 1 . . . A 24 ASP N . 19023 1 210 . 1 1 25 25 LEU H H 1 8.070 0.020 . 1 . . . A 25 LEU H . 19023 1 211 . 1 1 25 25 LEU HA H 1 4.347 0.020 . 1 . . . A 25 LEU HA . 19023 1 212 . 1 1 25 25 LEU HB2 H 1 1.627 0.020 . 2 . . . A 25 LEU HB2 . 19023 1 213 . 1 1 25 25 LEU HB3 H 1 1.627 0.020 . 2 . . . A 25 LEU HB3 . 19023 1 214 . 1 1 25 25 LEU HG H 1 1.633 0.020 . 1 . . . A 25 LEU HG . 19023 1 215 . 1 1 25 25 LEU HD11 H 1 0.929 0.020 . 2 . . . A 25 LEU HD1 . 19023 1 216 . 1 1 25 25 LEU HD12 H 1 0.929 0.020 . 2 . . . A 25 LEU HD1 . 19023 1 217 . 1 1 25 25 LEU HD13 H 1 0.929 0.020 . 2 . . . A 25 LEU HD1 . 19023 1 218 . 1 1 25 25 LEU HD21 H 1 0.870 0.020 . 2 . . . A 25 LEU HD2 . 19023 1 219 . 1 1 25 25 LEU HD22 H 1 0.870 0.020 . 2 . . . A 25 LEU HD2 . 19023 1 220 . 1 1 25 25 LEU HD23 H 1 0.870 0.020 . 2 . . . A 25 LEU HD2 . 19023 1 221 . 1 1 25 25 LEU C C 13 176.751 0.400 . 1 . . . A 25 LEU C . 19023 1 222 . 1 1 25 25 LEU CA C 13 54.849 0.400 . 1 . . . A 25 LEU CA . 19023 1 223 . 1 1 25 25 LEU CB C 13 42.389 0.400 . 1 . . . A 25 LEU CB . 19023 1 224 . 1 1 25 25 LEU CG C 13 27.006 0.400 . 1 . . . A 25 LEU CG . 19023 1 225 . 1 1 25 25 LEU CD2 C 13 23.401 0.400 . 1 . . . A 25 LEU CD2 . 19023 1 226 . 1 1 25 25 LEU N N 15 121.597 0.400 . 1 . . . A 25 LEU N . 19023 1 227 . 1 1 26 26 ALA H H 1 8.084 0.020 . 1 . . . A 26 ALA H . 19023 1 228 . 1 1 26 26 ALA HA H 1 4.580 0.020 . 1 . . . A 26 ALA HA . 19023 1 229 . 1 1 26 26 ALA HB1 H 1 1.370 0.020 . 1 . . . A 26 ALA HB . 19023 1 230 . 1 1 26 26 ALA HB2 H 1 1.370 0.020 . 1 . . . A 26 ALA HB . 19023 1 231 . 1 1 26 26 ALA HB3 H 1 1.370 0.020 . 1 . . . A 26 ALA HB . 19023 1 232 . 1 1 26 26 ALA CA C 13 50.520 0.400 . 1 . . . A 26 ALA CA . 19023 1 233 . 1 1 26 26 ALA CB C 13 18.271 0.400 . 1 . . . A 26 ALA CB . 19023 1 234 . 1 1 26 26 ALA N N 15 125.667 0.400 . 1 . . . A 26 ALA N . 19023 1 235 . 1 1 27 27 PRO HA H 1 4.445 0.020 . 1 . . . A 27 PRO HA . 19023 1 236 . 1 1 27 27 PRO HB2 H 1 2.256 0.020 . 2 . . . A 27 PRO HB2 . 19023 1 237 . 1 1 27 27 PRO HB3 H 1 1.920 0.020 . 2 . . . A 27 PRO HB3 . 19023 1 238 . 1 1 27 27 PRO HG2 H 1 2.030 0.020 . 2 . . . A 27 PRO HG2 . 19023 1 239 . 1 1 27 27 PRO HG3 H 1 2.030 0.020 . 2 . . . A 27 PRO HG3 . 19023 1 240 . 1 1 27 27 PRO HD2 H 1 3.833 0.020 . 2 . . . A 27 PRO HD2 . 19023 1 241 . 1 1 27 27 PRO HD3 H 1 3.645 0.020 . 2 . . . A 27 PRO HD3 . 19023 1 242 . 1 1 27 27 PRO C C 13 176.611 0.400 . 1 . . . A 27 PRO C . 19023 1 243 . 1 1 27 27 PRO CA C 13 63.123 0.400 . 1 . . . A 27 PRO CA . 19023 1 244 . 1 1 27 27 PRO CB C 13 32.032 0.400 . 1 . . . A 27 PRO CB . 19023 1 245 . 1 1 27 27 PRO CG C 13 27.383 0.400 . 1 . . . A 27 PRO CG . 19023 1 246 . 1 1 27 27 PRO CD C 13 50.588 0.400 . 1 . . . A 27 PRO CD . 19023 1 247 . 1 1 28 28 ARG H H 1 8.304 0.020 . 1 . . . A 28 ARG H . 19023 1 248 . 1 1 28 28 ARG HA H 1 4.590 0.020 . 1 . . . A 28 ARG HA . 19023 1 249 . 1 1 28 28 ARG HB2 H 1 1.839 0.020 . 2 . . . A 28 ARG HB2 . 19023 1 250 . 1 1 28 28 ARG HB3 H 1 1.757 0.020 . 2 . . . A 28 ARG HB3 . 19023 1 251 . 1 1 28 28 ARG HG2 H 1 1.664 0.020 . 2 . . . A 28 ARG HG2 . 19023 1 252 . 1 1 28 28 ARG HG3 H 1 1.664 0.020 . 2 . . . A 28 ARG HG3 . 19023 1 253 . 1 1 28 28 ARG HD2 H 1 3.093 0.020 . 2 . . . A 28 ARG HD2 . 19023 1 254 . 1 1 28 28 ARG HD3 H 1 3.093 0.020 . 2 . . . A 28 ARG HD3 . 19023 1 255 . 1 1 28 28 ARG C C 13 176.078 0.400 . 1 . . . A 28 ARG C . 19023 1 256 . 1 1 28 28 ARG CA C 13 55.478 0.400 . 1 . . . A 28 ARG CA . 19023 1 257 . 1 1 28 28 ARG CB C 13 32.064 0.400 . 1 . . . A 28 ARG CB . 19023 1 258 . 1 1 28 28 ARG CG C 13 26.888 0.400 . 1 . . . A 28 ARG CG . 19023 1 259 . 1 1 28 28 ARG N N 15 120.415 0.400 . 1 . . . A 28 ARG N . 19023 1 260 . 1 1 29 29 GLN H H 1 8.740 0.020 . 1 . . . A 29 GLN H . 19023 1 261 . 1 1 29 29 GLN HA H 1 4.607 0.020 . 1 . . . A 29 GLN HA . 19023 1 262 . 1 1 29 29 GLN HB2 H 1 2.038 0.020 . 2 . . . A 29 GLN HB2 . 19023 1 263 . 1 1 29 29 GLN HB3 H 1 2.038 0.020 . 2 . . . A 29 GLN HB3 . 19023 1 264 . 1 1 29 29 GLN HG2 H 1 2.266 0.020 . 2 . . . A 29 GLN HG2 . 19023 1 265 . 1 1 29 29 GLN HG3 H 1 2.266 0.020 . 2 . . . A 29 GLN HG3 . 19023 1 266 . 1 1 29 29 GLN HE21 H 1 7.488 0.020 . 2 . . . A 29 GLN HE21 . 19023 1 267 . 1 1 29 29 GLN HE22 H 1 6.969 0.020 . 2 . . . A 29 GLN HE22 . 19023 1 268 . 1 1 29 29 GLN C C 13 174.364 0.400 . 1 . . . A 29 GLN C . 19023 1 269 . 1 1 29 29 GLN CA C 13 54.864 0.400 . 1 . . . A 29 GLN CA . 19023 1 270 . 1 1 29 29 GLN CB C 13 31.310 0.400 . 1 . . . A 29 GLN CB . 19023 1 271 . 1 1 29 29 GLN CG C 13 34.440 0.400 . 1 . . . A 29 GLN CG . 19023 1 272 . 1 1 29 29 GLN N N 15 119.910 0.400 . 1 . . . A 29 GLN N . 19023 1 273 . 1 1 29 29 GLN NE2 N 15 111.883 0.400 . 1 . . . A 29 GLN NE2 . 19023 1 274 . 1 1 30 30 ILE H H 1 8.423 0.020 . 1 . . . A 30 ILE H . 19023 1 275 . 1 1 30 30 ILE HA H 1 4.607 0.020 . 1 . . . A 30 ILE HA . 19023 1 276 . 1 1 30 30 ILE HB H 1 1.802 0.020 . 1 . . . A 30 ILE HB . 19023 1 277 . 1 1 30 30 ILE HG12 H 1 1.405 0.020 . 2 . . . A 30 ILE HG12 . 19023 1 278 . 1 1 30 30 ILE HG13 H 1 1.156 0.020 . 2 . . . A 30 ILE HG13 . 19023 1 279 . 1 1 30 30 ILE HG21 H 1 0.727 0.020 . 1 . . . A 30 ILE HG2 . 19023 1 280 . 1 1 30 30 ILE HG22 H 1 0.727 0.020 . 1 . . . A 30 ILE HG2 . 19023 1 281 . 1 1 30 30 ILE HG23 H 1 0.727 0.020 . 1 . . . A 30 ILE HG2 . 19023 1 282 . 1 1 30 30 ILE HD11 H 1 0.720 0.020 . 1 . . . A 30 ILE HD1 . 19023 1 283 . 1 1 30 30 ILE HD12 H 1 0.720 0.020 . 1 . . . A 30 ILE HD1 . 19023 1 284 . 1 1 30 30 ILE HD13 H 1 0.720 0.020 . 1 . . . A 30 ILE HD1 . 19023 1 285 . 1 1 30 30 ILE C C 13 175.085 0.400 . 1 . . . A 30 ILE C . 19023 1 286 . 1 1 30 30 ILE CA C 13 59.582 0.400 . 1 . . . A 30 ILE CA . 19023 1 287 . 1 1 30 30 ILE CB C 13 38.900 0.400 . 1 . . . A 30 ILE CB . 19023 1 288 . 1 1 30 30 ILE CG1 C 13 27.075 0.400 . 1 . . . A 30 ILE CG1 . 19023 1 289 . 1 1 30 30 ILE CG2 C 13 18.088 0.400 . 1 . . . A 30 ILE CG2 . 19023 1 290 . 1 1 30 30 ILE CD1 C 13 11.648 0.400 . 1 . . . A 30 ILE CD1 . 19023 1 291 . 1 1 30 30 ILE N N 15 122.866 0.400 . 1 . . . A 30 ILE N . 19023 1 292 . 1 1 31 31 ALA H H 1 8.805 0.020 . 1 . . . A 31 ALA H . 19023 1 293 . 1 1 31 31 ALA HA H 1 4.580 0.020 . 1 . . . A 31 ALA HA . 19023 1 294 . 1 1 31 31 ALA HB1 H 1 1.337 0.020 . 1 . . . A 31 ALA HB . 19023 1 295 . 1 1 31 31 ALA HB2 H 1 1.337 0.020 . 1 . . . A 31 ALA HB . 19023 1 296 . 1 1 31 31 ALA HB3 H 1 1.337 0.020 . 1 . . . A 31 ALA HB . 19023 1 297 . 1 1 31 31 ALA C C 13 174.794 0.400 . 1 . . . A 31 ALA C . 19023 1 298 . 1 1 31 31 ALA CA C 13 50.483 0.400 . 1 . . . A 31 ALA CA . 19023 1 299 . 1 1 31 31 ALA CB C 13 23.290 0.400 . 1 . . . A 31 ALA CB . 19023 1 300 . 1 1 31 31 ALA N N 15 131.578 0.400 . 1 . . . A 31 ALA N . 19023 1 301 . 1 1 32 32 ARG H H 1 8.285 0.020 . 1 . . . A 32 ARG H . 19023 1 302 . 1 1 32 32 ARG HA H 1 5.457 0.020 . 1 . . . A 32 ARG HA . 19023 1 303 . 1 1 32 32 ARG HB2 H 1 1.593 0.020 . 2 . . . A 32 ARG HB2 . 19023 1 304 . 1 1 32 32 ARG HB3 H 1 1.595 0.020 . 2 . . . A 32 ARG HB3 . 19023 1 305 . 1 1 32 32 ARG HG2 H 1 1.569 0.020 . 2 . . . A 32 ARG HG2 . 19023 1 306 . 1 1 32 32 ARG HG3 H 1 1.395 0.020 . 2 . . . A 32 ARG HG3 . 19023 1 307 . 1 1 32 32 ARG HD2 H 1 3.180 0.020 . 2 . . . A 32 ARG HD2 . 19023 1 308 . 1 1 32 32 ARG HD3 H 1 3.180 0.020 . 2 . . . A 32 ARG HD3 . 19023 1 309 . 1 1 32 32 ARG HE H 1 7.522 0.020 . 1 . . . A 32 ARG HE . 19023 1 310 . 1 1 32 32 ARG C C 13 173.912 0.400 . 1 . . . A 32 ARG C . 19023 1 311 . 1 1 32 32 ARG CA C 13 54.364 0.400 . 1 . . . A 32 ARG CA . 19023 1 312 . 1 1 32 32 ARG CB C 13 33.477 0.400 . 1 . . . A 32 ARG CB . 19023 1 313 . 1 1 32 32 ARG CG C 13 28.540 0.400 . 1 . . . A 32 ARG CG . 19023 1 314 . 1 1 32 32 ARG CD C 13 43.252 0.400 . 1 . . . A 32 ARG CD . 19023 1 315 . 1 1 32 32 ARG N N 15 120.518 0.400 . 1 . . . A 32 ARG N . 19023 1 316 . 1 1 32 32 ARG NE N 15 84.599 0.400 . 1 . . . A 32 ARG NE . 19023 1 317 . 1 1 33 33 TYR H H 1 8.908 0.020 . 1 . . . A 33 TYR H . 19023 1 318 . 1 1 33 33 TYR HA H 1 5.015 0.020 . 1 . . . A 33 TYR HA . 19023 1 319 . 1 1 33 33 TYR HB2 H 1 2.608 0.020 . 2 . . . A 33 TYR HB2 . 19023 1 320 . 1 1 33 33 TYR HB3 H 1 2.461 0.020 . 2 . . . A 33 TYR HB3 . 19023 1 321 . 1 1 33 33 TYR HD1 H 1 6.650 0.020 . 1 . . . A 33 TYR HD1 . 19023 1 322 . 1 1 33 33 TYR HD2 H 1 6.650 0.020 . 1 . . . A 33 TYR HD2 . 19023 1 323 . 1 1 33 33 TYR HE1 H 1 6.323 0.020 . 1 . . . A 33 TYR HE1 . 19023 1 324 . 1 1 33 33 TYR HE2 H 1 6.323 0.020 . 1 . . . A 33 TYR HE2 . 19023 1 325 . 1 1 33 33 TYR N N 15 120.036 0.400 . 1 . . . A 33 TYR N . 19023 1 326 . 1 1 34 34 ARG H H 1 8.932 0.020 . 1 . . . A 34 ARG H . 19023 1 327 . 1 1 34 34 ARG HA H 1 5.830 0.020 . 1 . . . A 34 ARG HA . 19023 1 328 . 1 1 34 34 ARG HB2 H 1 1.901 0.020 . 2 . . . A 34 ARG HB2 . 19023 1 329 . 1 1 34 34 ARG HB3 H 1 1.753 0.020 . 2 . . . A 34 ARG HB3 . 19023 1 330 . 1 1 34 34 ARG HG2 H 1 1.635 0.020 . 2 . . . A 34 ARG HG2 . 19023 1 331 . 1 1 34 34 ARG HG3 H 1 1.635 0.020 . 2 . . . A 34 ARG HG3 . 19023 1 332 . 1 1 34 34 ARG HD2 H 1 3.285 0.020 . 2 . . . A 34 ARG HD2 . 19023 1 333 . 1 1 34 34 ARG HD3 H 1 3.285 0.020 . 2 . . . A 34 ARG HD3 . 19023 1 334 . 1 1 34 34 ARG HE H 1 7.441 0.020 . 1 . . . A 34 ARG HE . 19023 1 335 . 1 1 34 34 ARG CA C 13 54.008 0.400 . 1 . . . A 34 ARG CA . 19023 1 336 . 1 1 34 34 ARG CB C 13 34.196 0.400 . 1 . . . A 34 ARG CB . 19023 1 337 . 1 1 34 34 ARG CG C 13 27.000 0.400 . 1 . . . A 34 ARG CG . 19023 1 338 . 1 1 34 34 ARG CD C 13 43.715 0.400 . 1 . . . A 34 ARG CD . 19023 1 339 . 1 1 34 34 ARG N N 15 121.138 0.400 . 1 . . . A 34 ARG N . 19023 1 340 . 1 1 34 34 ARG NE N 15 85.155 0.400 . 1 . . . A 34 ARG NE . 19023 1 341 . 1 1 35 35 THR H H 1 9.579 0.020 . 1 . . . A 35 THR H . 19023 1 342 . 1 1 35 35 THR HA H 1 5.060 0.020 . 1 . . . A 35 THR HA . 19023 1 343 . 1 1 35 35 THR HB H 1 4.851 0.020 . 1 . . . A 35 THR HB . 19023 1 344 . 1 1 35 35 THR HG1 H 1 5.107 0.020 . 1 . . . A 35 THR HG1 . 19023 1 345 . 1 1 35 35 THR HG21 H 1 1.371 0.020 . 1 . . . A 35 THR HG2 . 19023 1 346 . 1 1 35 35 THR HG22 H 1 1.371 0.020 . 1 . . . A 35 THR HG2 . 19023 1 347 . 1 1 35 35 THR HG23 H 1 1.371 0.020 . 1 . . . A 35 THR HG2 . 19023 1 348 . 1 1 35 35 THR CA C 13 61.364 0.400 . 1 . . . A 35 THR CA . 19023 1 349 . 1 1 35 35 THR CB C 13 70.537 0.400 . 1 . . . A 35 THR CB . 19023 1 350 . 1 1 35 35 THR CG2 C 13 23.111 0.400 . 1 . . . A 35 THR CG2 . 19023 1 351 . 1 1 35 35 THR N N 15 119.525 0.400 . 1 . . . A 35 THR N . 19023 1 352 . 1 1 36 36 ASP H H 1 9.591 0.020 . 1 . . . A 36 ASP H . 19023 1 353 . 1 1 36 36 ASP HA H 1 4.492 0.020 . 1 . . . A 36 ASP HA . 19023 1 354 . 1 1 36 36 ASP HB2 H 1 2.776 0.020 . 2 . . . A 36 ASP HB2 . 19023 1 355 . 1 1 36 36 ASP HB3 H 1 2.776 0.020 . 2 . . . A 36 ASP HB3 . 19023 1 356 . 1 1 36 36 ASP C C 13 176.203 0.400 . 1 . . . A 36 ASP C . 19023 1 357 . 1 1 36 36 ASP CA C 13 57.693 0.400 . 1 . . . A 36 ASP CA . 19023 1 358 . 1 1 36 36 ASP CB C 13 40.824 0.400 . 1 . . . A 36 ASP CB . 19023 1 359 . 1 1 36 36 ASP N N 15 120.847 0.400 . 1 . . . A 36 ASP N . 19023 1 360 . 1 1 37 37 ASN H H 1 7.840 0.020 . 1 . . . A 37 ASN H . 19023 1 361 . 1 1 37 37 ASN HA H 1 4.717 0.020 . 1 . . . A 37 ASN HA . 19023 1 362 . 1 1 37 37 ASN HB2 H 1 3.288 0.020 . 2 . . . A 37 ASN HB2 . 19023 1 363 . 1 1 37 37 ASN HB3 H 1 2.836 0.020 . 2 . . . A 37 ASN HB3 . 19023 1 364 . 1 1 37 37 ASN HD21 H 1 8.083 0.020 . 2 . . . A 37 ASN HD21 . 19023 1 365 . 1 1 37 37 ASN HD22 H 1 7.811 0.020 . 2 . . . A 37 ASN HD22 . 19023 1 366 . 1 1 37 37 ASN C C 13 176.169 0.400 . 1 . . . A 37 ASN C . 19023 1 367 . 1 1 37 37 ASN CA C 13 52.621 0.400 . 1 . . . A 37 ASN CA . 19023 1 368 . 1 1 37 37 ASN CB C 13 37.567 0.400 . 1 . . . A 37 ASN CB . 19023 1 369 . 1 1 37 37 ASN N N 15 114.763 0.400 . 1 . . . A 37 ASN N . 19023 1 370 . 1 1 37 37 ASN ND2 N 15 115.037 0.400 . 1 . . . A 37 ASN ND2 . 19023 1 371 . 1 1 38 38 GLY H H 1 8.529 0.020 . 1 . . . A 38 GLY H . 19023 1 372 . 1 1 38 38 GLY HA2 H 1 4.369 0.020 . 2 . . . A 38 GLY HA2 . 19023 1 373 . 1 1 38 38 GLY HA3 H 1 3.582 0.020 . 2 . . . A 38 GLY HA3 . 19023 1 374 . 1 1 38 38 GLY C C 13 174.400 0.400 . 1 . . . A 38 GLY C . 19023 1 375 . 1 1 38 38 GLY CA C 13 45.100 0.400 . 1 . . . A 38 GLY CA . 19023 1 376 . 1 1 38 38 GLY N N 15 108.761 0.400 . 1 . . . A 38 GLY N . 19023 1 377 . 1 1 39 39 GLU H H 1 7.169 0.020 . 1 . . . A 39 GLU H . 19023 1 378 . 1 1 39 39 GLU HA H 1 4.123 0.020 . 1 . . . A 39 GLU HA . 19023 1 379 . 1 1 39 39 GLU HB2 H 1 2.162 0.020 . 2 . . . A 39 GLU HB2 . 19023 1 380 . 1 1 39 39 GLU HB3 H 1 1.832 0.020 . 2 . . . A 39 GLU HB3 . 19023 1 381 . 1 1 39 39 GLU HG2 H 1 2.211 0.020 . 2 . . . A 39 GLU HG2 . 19023 1 382 . 1 1 39 39 GLU HG3 H 1 2.038 0.020 . 2 . . . A 39 GLU HG3 . 19023 1 383 . 1 1 39 39 GLU C C 13 174.240 0.400 . 1 . . . A 39 GLU C . 19023 1 384 . 1 1 39 39 GLU CA C 13 57.736 0.400 . 1 . . . A 39 GLU CA . 19023 1 385 . 1 1 39 39 GLU CB C 13 31.146 0.400 . 1 . . . A 39 GLU CB . 19023 1 386 . 1 1 39 39 GLU CG C 13 38.275 0.400 . 1 . . . A 39 GLU CG . 19023 1 387 . 1 1 39 39 GLU N N 15 120.688 0.400 . 1 . . . A 39 GLU N . 19023 1 388 . 1 1 40 40 GLU H H 1 7.904 0.020 . 1 . . . A 40 GLU H . 19023 1 389 . 1 1 40 40 GLU HA H 1 5.611 0.020 . 1 . . . A 40 GLU HA . 19023 1 390 . 1 1 40 40 GLU HB2 H 1 1.767 0.020 . 2 . . . A 40 GLU HB2 . 19023 1 391 . 1 1 40 40 GLU HB3 H 1 1.767 0.020 . 2 . . . A 40 GLU HB3 . 19023 1 392 . 1 1 40 40 GLU HG2 H 1 2.386 0.020 . 2 . . . A 40 GLU HG2 . 19023 1 393 . 1 1 40 40 GLU HG3 H 1 2.036 0.020 . 2 . . . A 40 GLU HG3 . 19023 1 394 . 1 1 40 40 GLU C C 13 175.971 0.400 . 1 . . . A 40 GLU C . 19023 1 395 . 1 1 40 40 GLU CA C 13 54.260 0.400 . 1 . . . A 40 GLU CA . 19023 1 396 . 1 1 40 40 GLU CB C 13 33.358 0.400 . 1 . . . A 40 GLU CB . 19023 1 397 . 1 1 40 40 GLU CG C 13 37.033 0.400 . 1 . . . A 40 GLU CG . 19023 1 398 . 1 1 40 40 GLU N N 15 118.428 0.400 . 1 . . . A 40 GLU N . 19023 1 399 . 1 1 41 41 PHE H H 1 9.195 0.020 . 1 . . . A 41 PHE H . 19023 1 400 . 1 1 41 41 PHE HA H 1 4.748 0.020 . 1 . . . A 41 PHE HA . 19023 1 401 . 1 1 41 41 PHE HB2 H 1 3.273 0.020 . 2 . . . A 41 PHE HB2 . 19023 1 402 . 1 1 41 41 PHE HB3 H 1 2.887 0.020 . 2 . . . A 41 PHE HB3 . 19023 1 403 . 1 1 41 41 PHE HD1 H 1 7.335 0.020 . 1 . . . A 41 PHE HD1 . 19023 1 404 . 1 1 41 41 PHE HD2 H 1 7.335 0.020 . 1 . . . A 41 PHE HD2 . 19023 1 405 . 1 1 41 41 PHE HE1 H 1 7.160 0.020 . 1 . . . A 41 PHE HE1 . 19023 1 406 . 1 1 41 41 PHE HE2 H 1 7.160 0.020 . 1 . . . A 41 PHE HE2 . 19023 1 407 . 1 1 41 41 PHE N N 15 119.780 0.400 . 1 . . . A 41 PHE N . 19023 1 408 . 1 1 42 42 GLU H H 1 8.750 0.020 . 1 . . . A 42 GLU H . 19023 1 409 . 1 1 42 42 GLU HA H 1 5.099 0.020 . 1 . . . A 42 GLU HA . 19023 1 410 . 1 1 42 42 GLU HB2 H 1 2.016 0.020 . 2 . . . A 42 GLU HB2 . 19023 1 411 . 1 1 42 42 GLU HB3 H 1 1.843 0.020 . 2 . . . A 42 GLU HB3 . 19023 1 412 . 1 1 42 42 GLU HG2 H 1 2.304 0.020 . 2 . . . A 42 GLU HG2 . 19023 1 413 . 1 1 42 42 GLU HG3 H 1 2.028 0.020 . 2 . . . A 42 GLU HG3 . 19023 1 414 . 1 1 42 42 GLU C C 13 176.519 0.400 . 1 . . . A 42 GLU C . 19023 1 415 . 1 1 42 42 GLU CA C 13 55.311 0.400 . 1 . . . A 42 GLU CA . 19023 1 416 . 1 1 42 42 GLU CB C 13 31.526 0.400 . 1 . . . A 42 GLU CB . 19023 1 417 . 1 1 42 42 GLU CG C 13 37.221 0.400 . 1 . . . A 42 GLU CG . 19023 1 418 . 1 1 42 42 GLU N N 15 121.875 0.400 . 1 . . . A 42 GLU N . 19023 1 419 . 1 1 43 43 VAL H H 1 9.404 0.020 . 1 . . . A 43 VAL H . 19023 1 420 . 1 1 43 43 VAL HA H 1 4.471 0.020 . 1 . . . A 43 VAL HA . 19023 1 421 . 1 1 43 43 VAL HB H 1 1.722 0.020 . 1 . . . A 43 VAL HB . 19023 1 422 . 1 1 43 43 VAL HG11 H 1 0.566 0.020 . 2 . . . A 43 VAL HG1 . 19023 1 423 . 1 1 43 43 VAL HG12 H 1 0.566 0.020 . 2 . . . A 43 VAL HG1 . 19023 1 424 . 1 1 43 43 VAL HG13 H 1 0.566 0.020 . 2 . . . A 43 VAL HG1 . 19023 1 425 . 1 1 43 43 VAL HG21 H 1 -0.216 0.020 . 2 . . . A 43 VAL HG2 . 19023 1 426 . 1 1 43 43 VAL HG22 H 1 -0.216 0.020 . 2 . . . A 43 VAL HG2 . 19023 1 427 . 1 1 43 43 VAL HG23 H 1 -0.216 0.020 . 2 . . . A 43 VAL HG2 . 19023 1 428 . 1 1 43 43 VAL CA C 13 59.164 0.400 . 1 . . . A 43 VAL CA . 19023 1 429 . 1 1 43 43 VAL CB C 13 36.059 0.400 . 1 . . . A 43 VAL CB . 19023 1 430 . 1 1 43 43 VAL CG1 C 13 20.880 0.400 . 1 . . . A 43 VAL CG1 . 19023 1 431 . 1 1 43 43 VAL CG2 C 13 20.786 0.400 . 1 . . . A 43 VAL CG2 . 19023 1 432 . 1 1 43 43 VAL N N 15 127.451 0.400 . 1 . . . A 43 VAL N . 19023 1 433 . 1 1 44 44 PRO HA H 1 5.188 0.020 . 1 . . . A 44 PRO HA . 19023 1 434 . 1 1 44 44 PRO HB2 H 1 1.981 0.020 . 2 . . . A 44 PRO HB2 . 19023 1 435 . 1 1 44 44 PRO HB3 H 1 1.726 0.020 . 2 . . . A 44 PRO HB3 . 19023 1 436 . 1 1 44 44 PRO HG2 H 1 2.048 0.020 . 2 . . . A 44 PRO HG2 . 19023 1 437 . 1 1 44 44 PRO HG3 H 1 2.048 0.020 . 2 . . . A 44 PRO HG3 . 19023 1 438 . 1 1 44 44 PRO HD2 H 1 3.646 0.020 . 2 . . . A 44 PRO HD2 . 19023 1 439 . 1 1 44 44 PRO HD3 H 1 3.646 0.020 . 2 . . . A 44 PRO HD3 . 19023 1 440 . 1 1 44 44 PRO C C 13 176.234 0.400 . 1 . . . A 44 PRO C . 19023 1 441 . 1 1 44 44 PRO CA C 13 61.310 0.400 . 1 . . . A 44 PRO CA . 19023 1 442 . 1 1 44 44 PRO CB C 13 32.386 0.400 . 1 . . . A 44 PRO CB . 19023 1 443 . 1 1 44 44 PRO CG C 13 26.759 0.400 . 1 . . . A 44 PRO CG . 19023 1 444 . 1 1 44 44 PRO CD C 13 50.927 0.400 . 1 . . . A 44 PRO CD . 19023 1 445 . 1 1 45 45 PHE H H 1 8.904 0.020 . 1 . . . A 45 PHE H . 19023 1 446 . 1 1 45 45 PHE HA H 1 4.597 0.020 . 1 . . . A 45 PHE HA . 19023 1 447 . 1 1 45 45 PHE HB2 H 1 3.070 0.020 . 2 . . . A 45 PHE HB2 . 19023 1 448 . 1 1 45 45 PHE HB3 H 1 2.536 0.020 . 2 . . . A 45 PHE HB3 . 19023 1 449 . 1 1 45 45 PHE HD1 H 1 7.088 0.020 . 1 . . . A 45 PHE HD1 . 19023 1 450 . 1 1 45 45 PHE HD2 H 1 7.088 0.020 . 1 . . . A 45 PHE HD2 . 19023 1 451 . 1 1 45 45 PHE HE1 H 1 7.016 0.020 . 1 . . . A 45 PHE HE1 . 19023 1 452 . 1 1 45 45 PHE HE2 H 1 7.016 0.020 . 1 . . . A 45 PHE HE2 . 19023 1 453 . 1 1 45 45 PHE HZ H 1 6.266 0.020 . 1 . . . A 45 PHE HZ . 19023 1 454 . 1 1 45 45 PHE N N 15 119.984 0.400 . 1 . . . A 45 PHE N . 19023 1 455 . 1 1 46 46 ALA H H 1 8.698 0.020 . 1 . . . A 46 ALA H . 19023 1 456 . 1 1 46 46 ALA HA H 1 4.457 0.020 . 1 . . . A 46 ALA HA . 19023 1 457 . 1 1 46 46 ALA HB1 H 1 1.579 0.020 . 1 . . . A 46 ALA HB . 19023 1 458 . 1 1 46 46 ALA HB2 H 1 1.579 0.020 . 1 . . . A 46 ALA HB . 19023 1 459 . 1 1 46 46 ALA HB3 H 1 1.579 0.020 . 1 . . . A 46 ALA HB . 19023 1 460 . 1 1 46 46 ALA C C 13 178.306 0.400 . 1 . . . A 46 ALA C . 19023 1 461 . 1 1 46 46 ALA CA C 13 52.310 0.400 . 1 . . . A 46 ALA CA . 19023 1 462 . 1 1 46 46 ALA CB C 13 19.768 0.400 . 1 . . . A 46 ALA CB . 19023 1 463 . 1 1 46 46 ALA N N 15 123.127 0.400 . 1 . . . A 46 ALA N . 19023 1 464 . 1 1 47 47 ASP H H 1 8.581 0.020 . 1 . . . A 47 ASP H . 19023 1 465 . 1 1 47 47 ASP HA H 1 4.317 0.020 . 1 . . . A 47 ASP HA . 19023 1 466 . 1 1 47 47 ASP HB2 H 1 2.691 0.020 . 2 . . . A 47 ASP HB2 . 19023 1 467 . 1 1 47 47 ASP HB3 H 1 2.618 0.020 . 2 . . . A 47 ASP HB3 . 19023 1 468 . 1 1 47 47 ASP C C 13 175.925 0.400 . 1 . . . A 47 ASP C . 19023 1 469 . 1 1 47 47 ASP CA C 13 56.533 0.400 . 1 . . . A 47 ASP CA . 19023 1 470 . 1 1 47 47 ASP CB C 13 40.999 0.400 . 1 . . . A 47 ASP CB . 19023 1 471 . 1 1 47 47 ASP N N 15 119.553 0.400 . 1 . . . A 47 ASP N . 19023 1 472 . 1 1 48 48 ASP H H 1 8.267 0.020 . 1 . . . A 48 ASP H . 19023 1 473 . 1 1 48 48 ASP HA H 1 4.559 0.020 . 1 . . . A 48 ASP HA . 19023 1 474 . 1 1 48 48 ASP HB2 H 1 2.888 0.020 . 2 . . . A 48 ASP HB2 . 19023 1 475 . 1 1 48 48 ASP HB3 H 1 2.608 0.020 . 2 . . . A 48 ASP HB3 . 19023 1 476 . 1 1 48 48 ASP C C 13 175.786 0.400 . 1 . . . A 48 ASP C . 19023 1 477 . 1 1 48 48 ASP CA C 13 53.108 0.400 . 1 . . . A 48 ASP CA . 19023 1 478 . 1 1 48 48 ASP CB C 13 40.032 0.400 . 1 . . . A 48 ASP CB . 19023 1 479 . 1 1 48 48 ASP N N 15 115.591 0.400 . 1 . . . A 48 ASP N . 19023 1 480 . 1 1 49 49 ALA H H 1 7.406 0.020 . 1 . . . A 49 ALA H . 19023 1 481 . 1 1 49 49 ALA HA H 1 4.372 0.020 . 1 . . . A 49 ALA HA . 19023 1 482 . 1 1 49 49 ALA HB1 H 1 1.545 0.020 . 1 . . . A 49 ALA HB . 19023 1 483 . 1 1 49 49 ALA HB2 H 1 1.545 0.020 . 1 . . . A 49 ALA HB . 19023 1 484 . 1 1 49 49 ALA HB3 H 1 1.545 0.020 . 1 . . . A 49 ALA HB . 19023 1 485 . 1 1 49 49 ALA C C 13 177.382 0.400 . 1 . . . A 49 ALA C . 19023 1 486 . 1 1 49 49 ALA CA C 13 52.025 0.400 . 1 . . . A 49 ALA CA . 19023 1 487 . 1 1 49 49 ALA CB C 13 20.826 0.400 . 1 . . . A 49 ALA CB . 19023 1 488 . 1 1 49 49 ALA N N 15 122.557 0.400 . 1 . . . A 49 ALA N . 19023 1 489 . 1 1 50 50 GLU H H 1 8.220 0.020 . 1 . . . A 50 GLU H . 19023 1 490 . 1 1 50 50 GLU HA H 1 4.223 0.020 . 1 . . . A 50 GLU HA . 19023 1 491 . 1 1 50 50 GLU HB2 H 1 1.886 0.020 . 2 . . . A 50 GLU HB2 . 19023 1 492 . 1 1 50 50 GLU HB3 H 1 1.886 0.020 . 2 . . . A 50 GLU HB3 . 19023 1 493 . 1 1 50 50 GLU HG2 H 1 2.225 0.020 . 2 . . . A 50 GLU HG2 . 19023 1 494 . 1 1 50 50 GLU HG3 H 1 2.098 0.020 . 2 . . . A 50 GLU HG3 . 19023 1 495 . 1 1 50 50 GLU C C 13 175.524 0.400 . 1 . . . A 50 GLU C . 19023 1 496 . 1 1 50 50 GLU CA C 13 55.425 0.400 . 1 . . . A 50 GLU CA . 19023 1 497 . 1 1 50 50 GLU CB C 13 30.153 0.400 . 1 . . . A 50 GLU CB . 19023 1 498 . 1 1 50 50 GLU CG C 13 36.311 0.400 . 1 . . . A 50 GLU CG . 19023 1 499 . 1 1 50 50 GLU N N 15 120.785 0.400 . 1 . . . A 50 GLU N . 19023 1 500 . 1 1 51 51 ILE H H 1 8.182 0.020 . 1 . . . A 51 ILE H . 19023 1 501 . 1 1 51 51 ILE HA H 1 3.512 0.020 . 1 . . . A 51 ILE HA . 19023 1 502 . 1 1 51 51 ILE HB H 1 1.534 0.020 . 1 . . . A 51 ILE HB . 19023 1 503 . 1 1 51 51 ILE HG12 H 1 1.151 0.020 . 2 . . . A 51 ILE HG12 . 19023 1 504 . 1 1 51 51 ILE HG13 H 1 0.481 0.020 . 2 . . . A 51 ILE HG13 . 19023 1 505 . 1 1 51 51 ILE HG21 H 1 0.502 0.020 . 1 . . . A 51 ILE HG2 . 19023 1 506 . 1 1 51 51 ILE HG22 H 1 0.502 0.020 . 1 . . . A 51 ILE HG2 . 19023 1 507 . 1 1 51 51 ILE HG23 H 1 0.502 0.020 . 1 . . . A 51 ILE HG2 . 19023 1 508 . 1 1 51 51 ILE HD11 H 1 0.390 0.020 . 1 . . . A 51 ILE HD1 . 19023 1 509 . 1 1 51 51 ILE HD12 H 1 0.390 0.020 . 1 . . . A 51 ILE HD1 . 19023 1 510 . 1 1 51 51 ILE HD13 H 1 0.390 0.020 . 1 . . . A 51 ILE HD1 . 19023 1 511 . 1 1 51 51 ILE CA C 13 57.945 0.400 . 1 . . . A 51 ILE CA . 19023 1 512 . 1 1 51 51 ILE CB C 13 37.480 0.400 . 1 . . . A 51 ILE CB . 19023 1 513 . 1 1 51 51 ILE CG1 C 13 26.744 0.400 . 1 . . . A 51 ILE CG1 . 19023 1 514 . 1 1 51 51 ILE CG2 C 13 17.672 0.400 . 1 . . . A 51 ILE CG2 . 19023 1 515 . 1 1 51 51 ILE CD1 C 13 11.876 0.400 . 1 . . . A 51 ILE CD1 . 19023 1 516 . 1 1 51 51 ILE N N 15 127.057 0.400 . 1 . . . A 51 ILE N . 19023 1 517 . 1 1 52 52 PRO HA H 1 4.714 0.020 . 1 . . . A 52 PRO HA . 19023 1 518 . 1 1 52 52 PRO HB2 H 1 2.639 0.020 . 2 . . . A 52 PRO HB2 . 19023 1 519 . 1 1 52 52 PRO HB3 H 1 2.537 0.020 . 2 . . . A 52 PRO HB3 . 19023 1 520 . 1 1 52 52 PRO HG2 H 1 2.539 0.020 . 2 . . . A 52 PRO HG2 . 19023 1 521 . 1 1 52 52 PRO HG3 H 1 2.399 0.020 . 2 . . . A 52 PRO HG3 . 19023 1 522 . 1 1 52 52 PRO HD2 H 1 3.771 0.020 . 2 . . . A 52 PRO HD2 . 19023 1 523 . 1 1 52 52 PRO HD3 H 1 3.407 0.020 . 2 . . . A 52 PRO HD3 . 19023 1 524 . 1 1 52 52 PRO C C 13 177.921 0.400 . 1 . . . A 52 PRO C . 19023 1 525 . 1 1 52 52 PRO CA C 13 62.258 0.400 . 1 . . . A 52 PRO CA . 19023 1 526 . 1 1 52 52 PRO CB C 13 32.985 0.400 . 1 . . . A 52 PRO CB . 19023 1 527 . 1 1 52 52 PRO CG C 13 27.332 0.400 . 1 . . . A 52 PRO CG . 19023 1 528 . 1 1 52 52 PRO CD C 13 51.420 0.400 . 1 . . . A 52 PRO CD . 19023 1 529 . 1 1 53 53 GLY H H 1 8.894 0.020 . 1 . . . A 53 GLY H . 19023 1 530 . 1 1 53 53 GLY HA2 H 1 4.117 0.020 . 2 . . . A 53 GLY HA2 . 19023 1 531 . 1 1 53 53 GLY HA3 H 1 4.019 0.020 . 2 . . . A 53 GLY HA3 . 19023 1 532 . 1 1 53 53 GLY C C 13 174.372 0.400 . 1 . . . A 53 GLY C . 19023 1 533 . 1 1 53 53 GLY CA C 13 46.713 0.400 . 1 . . . A 53 GLY CA . 19023 1 534 . 1 1 53 53 GLY N N 15 107.334 0.400 . 1 . . . A 53 GLY N . 19023 1 535 . 1 1 54 54 THR H H 1 7.669 0.020 . 1 . . . A 54 THR H . 19023 1 536 . 1 1 54 54 THR HA H 1 5.668 0.020 . 1 . . . A 54 THR HA . 19023 1 537 . 1 1 54 54 THR HB H 1 4.192 0.020 . 1 . . . A 54 THR HB . 19023 1 538 . 1 1 54 54 THR HG21 H 1 1.245 0.020 . 1 . . . A 54 THR HG2 . 19023 1 539 . 1 1 54 54 THR HG22 H 1 1.245 0.020 . 1 . . . A 54 THR HG2 . 19023 1 540 . 1 1 54 54 THR HG23 H 1 1.245 0.020 . 1 . . . A 54 THR HG2 . 19023 1 541 . 1 1 54 54 THR C C 13 172.778 0.400 . 1 . . . A 54 THR C . 19023 1 542 . 1 1 54 54 THR CA C 13 59.297 0.400 . 1 . . . A 54 THR CA . 19023 1 543 . 1 1 54 54 THR CB C 13 72.778 0.400 . 1 . . . A 54 THR CB . 19023 1 544 . 1 1 54 54 THR CG2 C 13 21.964 0.400 . 1 . . . A 54 THR CG2 . 19023 1 545 . 1 1 54 54 THR N N 15 110.577 0.400 . 1 . . . A 54 THR N . 19023 1 546 . 1 1 55 55 TRP H H 1 8.175 0.020 . 1 . . . A 55 TRP H . 19023 1 547 . 1 1 55 55 TRP HA H 1 4.450 0.020 . 1 . . . A 55 TRP HA . 19023 1 548 . 1 1 55 55 TRP HB2 H 1 2.054 0.020 . 2 . . . A 55 TRP HB2 . 19023 1 549 . 1 1 55 55 TRP HB3 H 1 1.471 0.020 . 2 . . . A 55 TRP HB3 . 19023 1 550 . 1 1 55 55 TRP HD1 H 1 6.672 0.020 . 1 . . . A 55 TRP HD1 . 19023 1 551 . 1 1 55 55 TRP HE1 H 1 9.851 0.020 . 1 . . . A 55 TRP HE1 . 19023 1 552 . 1 1 55 55 TRP HE3 H 1 7.781 0.020 . 1 . . . A 55 TRP HE3 . 19023 1 553 . 1 1 55 55 TRP HZ2 H 1 7.350 0.020 . 1 . . . A 55 TRP HZ2 . 19023 1 554 . 1 1 55 55 TRP HZ3 H 1 7.369 0.020 . 1 . . . A 55 TRP HZ3 . 19023 1 555 . 1 1 55 55 TRP HH2 H 1 7.203 0.020 . 1 . . . A 55 TRP HH2 . 19023 1 556 . 1 1 55 55 TRP C C 13 174.283 0.400 . 1 . . . A 55 TRP C . 19023 1 557 . 1 1 55 55 TRP CA C 13 56.208 0.400 . 1 . . . A 55 TRP CA . 19023 1 558 . 1 1 55 55 TRP CB C 13 31.498 0.400 . 1 . . . A 55 TRP CB . 19023 1 559 . 1 1 55 55 TRP N N 15 120.997 0.400 . 1 . . . A 55 TRP N . 19023 1 560 . 1 1 55 55 TRP NE1 N 15 128.596 0.400 . 1 . . . A 55 TRP NE1 . 19023 1 561 . 1 1 56 56 LEU H H 1 7.372 0.020 . 1 . . . A 56 LEU H . 19023 1 562 . 1 1 56 56 LEU HA H 1 4.187 0.020 . 1 . . . A 56 LEU HA . 19023 1 563 . 1 1 56 56 LEU HB2 H 1 1.326 0.020 . 2 . . . A 56 LEU HB2 . 19023 1 564 . 1 1 56 56 LEU HB3 H 1 1.100 0.020 . 2 . . . A 56 LEU HB3 . 19023 1 565 . 1 1 56 56 LEU HG H 1 1.233 0.020 . 1 . . . A 56 LEU HG . 19023 1 566 . 1 1 56 56 LEU HD11 H 1 0.672 0.020 . 2 . . . A 56 LEU HD1 . 19023 1 567 . 1 1 56 56 LEU HD12 H 1 0.672 0.020 . 2 . . . A 56 LEU HD1 . 19023 1 568 . 1 1 56 56 LEU HD13 H 1 0.672 0.020 . 2 . . . A 56 LEU HD1 . 19023 1 569 . 1 1 56 56 LEU HD21 H 1 0.580 0.020 . 2 . . . A 56 LEU HD2 . 19023 1 570 . 1 1 56 56 LEU HD22 H 1 0.580 0.020 . 2 . . . A 56 LEU HD2 . 19023 1 571 . 1 1 56 56 LEU HD23 H 1 0.580 0.020 . 2 . . . A 56 LEU HD2 . 19023 1 572 . 1 1 56 56 LEU C C 13 175.164 0.400 . 1 . . . A 56 LEU C . 19023 1 573 . 1 1 56 56 LEU CA C 13 54.689 0.400 . 1 . . . A 56 LEU CA . 19023 1 574 . 1 1 56 56 LEU CB C 13 39.940 0.400 . 1 . . . A 56 LEU CB . 19023 1 575 . 1 1 56 56 LEU CG C 13 26.855 0.400 . 1 . . . A 56 LEU CG . 19023 1 576 . 1 1 56 56 LEU CD1 C 13 24.640 0.400 . 1 . . . A 56 LEU CD1 . 19023 1 577 . 1 1 56 56 LEU CD2 C 13 22.857 0.400 . 1 . . . A 56 LEU CD2 . 19023 1 578 . 1 1 56 56 LEU N N 15 130.472 0.400 . 1 . . . A 56 LEU N . 19023 1 579 . 1 1 57 57 CYS H H 1 8.121 0.020 . 1 . . . A 57 CYS H . 19023 1 580 . 1 1 57 57 CYS HA H 1 4.304 0.020 . 1 . . . A 57 CYS HA . 19023 1 581 . 1 1 57 57 CYS HB2 H 1 2.702 0.020 . 2 . . . A 57 CYS HB2 . 19023 1 582 . 1 1 57 57 CYS HB3 H 1 1.309 0.020 . 2 . . . A 57 CYS HB3 . 19023 1 583 . 1 1 57 57 CYS CA C 13 59.968 0.400 . 1 . . . A 57 CYS CA . 19023 1 584 . 1 1 57 57 CYS CB C 13 29.133 0.400 . 1 . . . A 57 CYS CB . 19023 1 585 . 1 1 57 57 CYS N N 15 125.569 0.400 . 1 . . . A 57 CYS N . 19023 1 586 . 1 1 58 58 ARG HA H 1 3.998 0.020 . 1 . . . A 58 ARG HA . 19023 1 587 . 1 1 58 58 ARG HB2 H 1 1.909 0.020 . 2 . . . A 58 ARG HB2 . 19023 1 588 . 1 1 58 58 ARG HB3 H 1 1.909 0.020 . 2 . . . A 58 ARG HB3 . 19023 1 589 . 1 1 58 58 ARG HG2 H 1 1.725 0.020 . 2 . . . A 58 ARG HG2 . 19023 1 590 . 1 1 58 58 ARG HG3 H 1 1.725 0.020 . 2 . . . A 58 ARG HG3 . 19023 1 591 . 1 1 58 58 ARG HD2 H 1 3.352 0.020 . 2 . . . A 58 ARG HD2 . 19023 1 592 . 1 1 58 58 ARG HD3 H 1 3.352 0.020 . 2 . . . A 58 ARG HD3 . 19023 1 593 . 1 1 58 58 ARG C C 13 175.571 0.400 . 1 . . . A 58 ARG C . 19023 1 594 . 1 1 58 58 ARG CA C 13 58.250 0.400 . 1 . . . A 58 ARG CA . 19023 1 595 . 1 1 58 58 ARG CB C 13 29.992 0.400 . 1 . . . A 58 ARG CB . 19023 1 596 . 1 1 58 58 ARG CG C 13 27.054 0.400 . 1 . . . A 58 ARG CG . 19023 1 597 . 1 1 58 58 ARG CD C 13 43.302 0.400 . 1 . . . A 58 ARG CD . 19023 1 598 . 1 1 59 59 ASN H H 1 6.928 0.020 . 1 . . . A 59 ASN H . 19023 1 599 . 1 1 59 59 ASN HA H 1 4.624 0.020 . 1 . . . A 59 ASN HA . 19023 1 600 . 1 1 59 59 ASN HB2 H 1 3.366 0.020 . 2 . . . A 59 ASN HB2 . 19023 1 601 . 1 1 59 59 ASN HB3 H 1 2.973 0.020 . 2 . . . A 59 ASN HB3 . 19023 1 602 . 1 1 59 59 ASN HD21 H 1 8.067 0.020 . 2 . . . A 59 ASN HD21 . 19023 1 603 . 1 1 59 59 ASN HD22 H 1 6.798 0.020 . 2 . . . A 59 ASN HD22 . 19023 1 604 . 1 1 59 59 ASN C C 13 175.929 0.400 . 1 . . . A 59 ASN C . 19023 1 605 . 1 1 59 59 ASN CA C 13 52.391 0.400 . 1 . . . A 59 ASN CA . 19023 1 606 . 1 1 59 59 ASN CB C 13 37.672 0.400 . 1 . . . A 59 ASN CB . 19023 1 607 . 1 1 59 59 ASN N N 15 114.999 0.400 . 1 . . . A 59 ASN N . 19023 1 608 . 1 1 59 59 ASN ND2 N 15 109.761 0.400 . 1 . . . A 59 ASN ND2 . 19023 1 609 . 1 1 60 60 GLY H H 1 8.230 0.020 . 1 . . . A 60 GLY H . 19023 1 610 . 1 1 60 60 GLY HA2 H 1 4.111 0.020 . 2 . . . A 60 GLY HA2 . 19023 1 611 . 1 1 60 60 GLY HA3 H 1 3.550 0.020 . 2 . . . A 60 GLY HA3 . 19023 1 612 . 1 1 60 60 GLY C C 13 173.345 0.400 . 1 . . . A 60 GLY C . 19023 1 613 . 1 1 60 60 GLY CA C 13 45.277 0.400 . 1 . . . A 60 GLY CA . 19023 1 614 . 1 1 60 60 GLY N N 15 107.329 0.400 . 1 . . . A 60 GLY N . 19023 1 615 . 1 1 61 61 MET H H 1 7.399 0.020 . 1 . . . A 61 MET H . 19023 1 616 . 1 1 61 61 MET HA H 1 4.548 0.020 . 1 . . . A 61 MET HA . 19023 1 617 . 1 1 61 61 MET HB2 H 1 2.289 0.020 . 2 . . . A 61 MET HB2 . 19023 1 618 . 1 1 61 61 MET HB3 H 1 1.985 0.020 . 2 . . . A 61 MET HB3 . 19023 1 619 . 1 1 61 61 MET HG2 H 1 2.434 0.020 . 2 . . . A 61 MET HG2 . 19023 1 620 . 1 1 61 61 MET HG3 H 1 2.434 0.020 . 2 . . . A 61 MET HG3 . 19023 1 621 . 1 1 61 61 MET C C 13 174.356 0.400 . 1 . . . A 61 MET C . 19023 1 622 . 1 1 61 61 MET CA C 13 54.209 0.400 . 1 . . . A 61 MET CA . 19023 1 623 . 1 1 61 61 MET CB C 13 35.036 0.400 . 1 . . . A 61 MET CB . 19023 1 624 . 1 1 61 61 MET CG C 13 32.967 0.400 . 1 . . . A 61 MET CG . 19023 1 625 . 1 1 61 61 MET N N 15 118.228 0.400 . 1 . . . A 61 MET N . 19023 1 626 . 1 1 62 62 GLU H H 1 8.736 0.020 . 1 . . . A 62 GLU H . 19023 1 627 . 1 1 62 62 GLU HA H 1 4.511 0.020 . 1 . . . A 62 GLU HA . 19023 1 628 . 1 1 62 62 GLU HB2 H 1 1.951 0.020 . 2 . . . A 62 GLU HB2 . 19023 1 629 . 1 1 62 62 GLU HB3 H 1 1.951 0.020 . 2 . . . A 62 GLU HB3 . 19023 1 630 . 1 1 62 62 GLU CA C 13 56.573 0.400 . 1 . . . A 62 GLU CA . 19023 1 631 . 1 1 62 62 GLU CB C 13 30.516 0.400 . 1 . . . A 62 GLU CB . 19023 1 632 . 1 1 62 62 GLU N N 15 121.898 0.400 . 1 . . . A 62 GLU N . 19023 1 633 . 1 1 63 63 GLY H H 1 9.780 0.020 . 1 . . . A 63 GLY H . 19023 1 634 . 1 1 63 63 GLY HA2 H 1 4.875 0.020 . 2 . . . A 63 GLY HA2 . 19023 1 635 . 1 1 63 63 GLY HA3 H 1 3.433 0.020 . 2 . . . A 63 GLY HA3 . 19023 1 636 . 1 1 63 63 GLY C C 13 172.166 0.400 . 1 . . . A 63 GLY C . 19023 1 637 . 1 1 63 63 GLY CA C 13 44.281 0.400 . 1 . . . A 63 GLY CA . 19023 1 638 . 1 1 63 63 GLY N N 15 116.874 0.400 . 1 . . . A 63 GLY N . 19023 1 639 . 1 1 64 64 THR H H 1 8.816 0.020 . 1 . . . A 64 THR H . 19023 1 640 . 1 1 64 64 THR HA H 1 5.059 0.020 . 1 . . . A 64 THR HA . 19023 1 641 . 1 1 64 64 THR HB H 1 4.159 0.020 . 1 . . . A 64 THR HB . 19023 1 642 . 1 1 64 64 THR HG21 H 1 1.420 0.020 . 1 . . . A 64 THR HG2 . 19023 1 643 . 1 1 64 64 THR HG22 H 1 1.420 0.020 . 1 . . . A 64 THR HG2 . 19023 1 644 . 1 1 64 64 THR HG23 H 1 1.420 0.020 . 1 . . . A 64 THR HG2 . 19023 1 645 . 1 1 64 64 THR C C 13 174.688 0.400 . 1 . . . A 64 THR C . 19023 1 646 . 1 1 64 64 THR CA C 13 61.917 0.400 . 1 . . . A 64 THR CA . 19023 1 647 . 1 1 64 64 THR CB C 13 70.939 0.400 . 1 . . . A 64 THR CB . 19023 1 648 . 1 1 64 64 THR CG2 C 13 21.574 0.400 . 1 . . . A 64 THR CG2 . 19023 1 649 . 1 1 64 64 THR N N 15 116.937 0.400 . 1 . . . A 64 THR N . 19023 1 650 . 1 1 65 65 LEU H H 1 8.185 0.020 . 1 . . . A 65 LEU H . 19023 1 651 . 1 1 65 65 LEU HA H 1 3.785 0.020 . 1 . . . A 65 LEU HA . 19023 1 652 . 1 1 65 65 LEU HB2 H 1 1.737 0.020 . 2 . . . A 65 LEU HB2 . 19023 1 653 . 1 1 65 65 LEU HB3 H 1 1.566 0.020 . 2 . . . A 65 LEU HB3 . 19023 1 654 . 1 1 65 65 LEU HG H 1 1.211 0.020 . 1 . . . A 65 LEU HG . 19023 1 655 . 1 1 65 65 LEU HD11 H 1 0.729 0.020 . 2 . . . A 65 LEU HD1 . 19023 1 656 . 1 1 65 65 LEU HD12 H 1 0.729 0.020 . 2 . . . A 65 LEU HD1 . 19023 1 657 . 1 1 65 65 LEU HD13 H 1 0.729 0.020 . 2 . . . A 65 LEU HD1 . 19023 1 658 . 1 1 65 65 LEU HD21 H 1 0.508 0.020 . 2 . . . A 65 LEU HD2 . 19023 1 659 . 1 1 65 65 LEU HD22 H 1 0.508 0.020 . 2 . . . A 65 LEU HD2 . 19023 1 660 . 1 1 65 65 LEU HD23 H 1 0.508 0.020 . 2 . . . A 65 LEU HD2 . 19023 1 661 . 1 1 65 65 LEU C C 13 176.585 0.400 . 1 . . . A 65 LEU C . 19023 1 662 . 1 1 65 65 LEU CA C 13 56.115 0.400 . 1 . . . A 65 LEU CA . 19023 1 663 . 1 1 65 65 LEU CB C 13 43.242 0.400 . 1 . . . A 65 LEU CB . 19023 1 664 . 1 1 65 65 LEU CG C 13 26.726 0.400 . 1 . . . A 65 LEU CG . 19023 1 665 . 1 1 65 65 LEU CD1 C 13 26.152 0.400 . 1 . . . A 65 LEU CD1 . 19023 1 666 . 1 1 65 65 LEU CD2 C 13 23.180 0.400 . 1 . . . A 65 LEU CD2 . 19023 1 667 . 1 1 65 65 LEU N N 15 129.791 0.400 . 1 . . . A 65 LEU N . 19023 1 668 . 1 1 66 66 ILE H H 1 8.712 0.020 . 1 . . . A 66 ILE H . 19023 1 669 . 1 1 66 66 ILE HA H 1 4.128 0.020 . 1 . . . A 66 ILE HA . 19023 1 670 . 1 1 66 66 ILE HB H 1 1.676 0.020 . 1 . . . A 66 ILE HB . 19023 1 671 . 1 1 66 66 ILE HG12 H 1 1.463 0.020 . 2 . . . A 66 ILE HG12 . 19023 1 672 . 1 1 66 66 ILE HG13 H 1 0.968 0.020 . 2 . . . A 66 ILE HG13 . 19023 1 673 . 1 1 66 66 ILE HG21 H 1 0.859 0.020 . 1 . . . A 66 ILE HG2 . 19023 1 674 . 1 1 66 66 ILE HG22 H 1 0.859 0.020 . 1 . . . A 66 ILE HG2 . 19023 1 675 . 1 1 66 66 ILE HG23 H 1 0.859 0.020 . 1 . . . A 66 ILE HG2 . 19023 1 676 . 1 1 66 66 ILE HD11 H 1 0.726 0.020 . 1 . . . A 66 ILE HD1 . 19023 1 677 . 1 1 66 66 ILE HD12 H 1 0.726 0.020 . 1 . . . A 66 ILE HD1 . 19023 1 678 . 1 1 66 66 ILE HD13 H 1 0.726 0.020 . 1 . . . A 66 ILE HD1 . 19023 1 679 . 1 1 66 66 ILE C C 13 175.698 0.400 . 1 . . . A 66 ILE C . 19023 1 680 . 1 1 66 66 ILE CA C 13 60.945 0.400 . 1 . . . A 66 ILE CA . 19023 1 681 . 1 1 66 66 ILE CB C 13 38.591 0.400 . 1 . . . A 66 ILE CB . 19023 1 682 . 1 1 66 66 ILE CG1 C 13 27.229 0.400 . 1 . . . A 66 ILE CG1 . 19023 1 683 . 1 1 66 66 ILE CG2 C 13 17.585 0.400 . 1 . . . A 66 ILE CG2 . 19023 1 684 . 1 1 66 66 ILE CD1 C 13 13.643 0.400 . 1 . . . A 66 ILE CD1 . 19023 1 685 . 1 1 66 66 ILE N N 15 127.678 0.400 . 1 . . . A 66 ILE N . 19023 1 686 . 1 1 67 67 GLU H H 1 8.389 0.020 . 1 . . . A 67 GLU H . 19023 1 687 . 1 1 67 67 GLU HA H 1 4.309 0.020 . 1 . . . A 67 GLU HA . 19023 1 688 . 1 1 67 67 GLU HB2 H 1 2.057 0.020 . 2 . . . A 67 GLU HB2 . 19023 1 689 . 1 1 67 67 GLU HB3 H 1 1.941 0.020 . 2 . . . A 67 GLU HB3 . 19023 1 690 . 1 1 67 67 GLU HG2 H 1 2.209 0.020 . 2 . . . A 67 GLU HG2 . 19023 1 691 . 1 1 67 67 GLU HG3 H 1 2.209 0.020 . 2 . . . A 67 GLU HG3 . 19023 1 692 . 1 1 67 67 GLU C C 13 176.557 0.400 . 1 . . . A 67 GLU C . 19023 1 693 . 1 1 67 67 GLU CA C 13 56.551 0.400 . 1 . . . A 67 GLU CA . 19023 1 694 . 1 1 67 67 GLU CB C 13 31.051 0.400 . 1 . . . A 67 GLU CB . 19023 1 695 . 1 1 67 67 GLU N N 15 126.146 0.400 . 1 . . . A 67 GLU N . 19023 1 696 . 1 1 68 68 GLY H H 1 8.336 0.020 . 1 . . . A 68 GLY H . 19023 1 697 . 1 1 68 68 GLY HA2 H 1 3.950 0.020 . 2 . . . A 68 GLY HA2 . 19023 1 698 . 1 1 68 68 GLY HA3 H 1 3.950 0.020 . 2 . . . A 68 GLY HA3 . 19023 1 699 . 1 1 68 68 GLY C C 13 173.461 0.400 . 1 . . . A 68 GLY C . 19023 1 700 . 1 1 68 68 GLY CA C 13 45.184 0.400 . 1 . . . A 68 GLY CA . 19023 1 701 . 1 1 68 68 GLY N N 15 109.660 0.400 . 1 . . . A 68 GLY N . 19023 1 702 . 1 1 69 69 ASP H H 1 8.230 0.020 . 1 . . . A 69 ASP H . 19023 1 703 . 1 1 69 69 ASP HA H 1 4.626 0.020 . 1 . . . A 69 ASP HA . 19023 1 704 . 1 1 69 69 ASP HB2 H 1 2.677 0.020 . 2 . . . A 69 ASP HB2 . 19023 1 705 . 1 1 69 69 ASP HB3 H 1 2.538 0.020 . 2 . . . A 69 ASP HB3 . 19023 1 706 . 1 1 69 69 ASP C C 13 175.943 0.400 . 1 . . . A 69 ASP C . 19023 1 707 . 1 1 69 69 ASP CA C 13 54.172 0.400 . 1 . . . A 69 ASP CA . 19023 1 708 . 1 1 69 69 ASP CB C 13 41.340 0.400 . 1 . . . A 69 ASP CB . 19023 1 709 . 1 1 69 69 ASP N N 15 120.238 0.400 . 1 . . . A 69 ASP N . 19023 1 710 . 1 1 70 70 LEU H H 1 8.119 0.020 . 1 . . . A 70 LEU H . 19023 1 711 . 1 1 70 70 LEU HA H 1 4.617 0.020 . 1 . . . A 70 LEU HA . 19023 1 712 . 1 1 70 70 LEU HB2 H 1 1.602 0.020 . 2 . . . A 70 LEU HB2 . 19023 1 713 . 1 1 70 70 LEU HB3 H 1 1.555 0.020 . 2 . . . A 70 LEU HB3 . 19023 1 714 . 1 1 70 70 LEU HG H 1 1.673 0.020 . 1 . . . A 70 LEU HG . 19023 1 715 . 1 1 70 70 LEU HD11 H 1 0.933 0.020 . 2 . . . A 70 LEU HD1 . 19023 1 716 . 1 1 70 70 LEU HD12 H 1 0.933 0.020 . 2 . . . A 70 LEU HD1 . 19023 1 717 . 1 1 70 70 LEU HD13 H 1 0.933 0.020 . 2 . . . A 70 LEU HD1 . 19023 1 718 . 1 1 70 70 LEU HD21 H 1 0.922 0.020 . 2 . . . A 70 LEU HD2 . 19023 1 719 . 1 1 70 70 LEU HD22 H 1 0.922 0.020 . 2 . . . A 70 LEU HD2 . 19023 1 720 . 1 1 70 70 LEU HD23 H 1 0.922 0.020 . 2 . . . A 70 LEU HD2 . 19023 1 721 . 1 1 70 70 LEU CA C 13 52.960 0.400 . 1 . . . A 70 LEU CA . 19023 1 722 . 1 1 70 70 LEU CB C 13 42.082 0.400 . 1 . . . A 70 LEU CB . 19023 1 723 . 1 1 70 70 LEU CD2 C 13 23.591 0.400 . 1 . . . A 70 LEU CD2 . 19023 1 724 . 1 1 70 70 LEU N N 15 123.251 0.400 . 1 . . . A 70 LEU N . 19023 1 725 . 1 1 71 71 PRO C C 13 176.637 0.400 . 1 . . . A 71 PRO C . 19023 1 726 . 1 1 71 71 PRO CA C 13 62.920 0.400 . 1 . . . A 71 PRO CA . 19023 1 727 . 1 1 71 71 PRO CB C 13 32.045 0.400 . 1 . . . A 71 PRO CB . 19023 1 728 . 1 1 72 72 GLU H H 1 8.292 0.020 . 1 . . . A 72 GLU H . 19023 1 729 . 1 1 72 72 GLU HA H 1 4.536 0.020 . 1 . . . A 72 GLU HA . 19023 1 730 . 1 1 72 72 GLU HB2 H 1 1.960 0.020 . 2 . . . A 72 GLU HB2 . 19023 1 731 . 1 1 72 72 GLU HB3 H 1 1.960 0.020 . 2 . . . A 72 GLU HB3 . 19023 1 732 . 1 1 72 72 GLU HG2 H 1 2.301 0.020 . 2 . . . A 72 GLU HG2 . 19023 1 733 . 1 1 72 72 GLU HG3 H 1 2.301 0.020 . 2 . . . A 72 GLU HG3 . 19023 1 734 . 1 1 72 72 GLU CA C 13 54.700 0.400 . 1 . . . A 72 GLU CA . 19023 1 735 . 1 1 72 72 GLU CB C 13 29.932 0.400 . 1 . . . A 72 GLU CB . 19023 1 736 . 1 1 72 72 GLU N N 15 121.854 0.400 . 1 . . . A 72 GLU N . 19023 1 737 . 1 1 73 73 PRO HA H 1 4.432 0.020 . 1 . . . A 73 PRO HA . 19023 1 738 . 1 1 73 73 PRO HB2 H 1 2.288 0.020 . 2 . . . A 73 PRO HB2 . 19023 1 739 . 1 1 73 73 PRO HB3 H 1 1.906 0.020 . 2 . . . A 73 PRO HB3 . 19023 1 740 . 1 1 73 73 PRO HG2 H 1 2.033 0.020 . 2 . . . A 73 PRO HG2 . 19023 1 741 . 1 1 73 73 PRO HG3 H 1 2.033 0.020 . 2 . . . A 73 PRO HG3 . 19023 1 742 . 1 1 73 73 PRO HD2 H 1 3.830 0.020 . 2 . . . A 73 PRO HD2 . 19023 1 743 . 1 1 73 73 PRO HD3 H 1 3.668 0.020 . 2 . . . A 73 PRO HD3 . 19023 1 744 . 1 1 73 73 PRO C C 13 177.042 0.400 . 1 . . . A 73 PRO C . 19023 1 745 . 1 1 73 73 PRO CA C 13 63.552 0.400 . 1 . . . A 73 PRO CA . 19023 1 746 . 1 1 73 73 PRO CB C 13 32.034 0.400 . 1 . . . A 73 PRO CB . 19023 1 747 . 1 1 73 73 PRO CG C 13 27.331 0.400 . 1 . . . A 73 PRO CG . 19023 1 748 . 1 1 73 73 PRO CD C 13 50.586 0.400 . 1 . . . A 73 PRO CD . 19023 1 749 . 1 1 74 74 LYS H H 1 8.336 0.020 . 1 . . . A 74 LYS H . 19023 1 750 . 1 1 74 74 LYS HA H 1 4.284 0.020 . 1 . . . A 74 LYS HA . 19023 1 751 . 1 1 74 74 LYS HB2 H 1 1.825 0.020 . 2 . . . A 74 LYS HB2 . 19023 1 752 . 1 1 74 74 LYS HB3 H 1 1.825 0.020 . 2 . . . A 74 LYS HB3 . 19023 1 753 . 1 1 74 74 LYS HG2 H 1 1.477 0.020 . 2 . . . A 74 LYS HG2 . 19023 1 754 . 1 1 74 74 LYS HG3 H 1 1.477 0.020 . 2 . . . A 74 LYS HG3 . 19023 1 755 . 1 1 74 74 LYS HD2 H 1 1.704 0.020 . 2 . . . A 74 LYS HD2 . 19023 1 756 . 1 1 74 74 LYS HD3 H 1 1.704 0.020 . 2 . . . A 74 LYS HD3 . 19023 1 757 . 1 1 74 74 LYS HE2 H 1 3.008 0.020 . 2 . . . A 74 LYS HE2 . 19023 1 758 . 1 1 74 74 LYS HE3 H 1 3.008 0.020 . 2 . . . A 74 LYS HE3 . 19023 1 759 . 1 1 74 74 LYS C C 13 176.581 0.400 . 1 . . . A 74 LYS C . 19023 1 760 . 1 1 74 74 LYS CA C 13 56.258 0.400 . 1 . . . A 74 LYS CA . 19023 1 761 . 1 1 74 74 LYS CB C 13 32.876 0.400 . 1 . . . A 74 LYS CB . 19023 1 762 . 1 1 74 74 LYS CG C 13 24.861 0.400 . 1 . . . A 74 LYS CG . 19023 1 763 . 1 1 74 74 LYS CD C 13 28.985 0.400 . 1 . . . A 74 LYS CD . 19023 1 764 . 1 1 74 74 LYS CE C 13 41.984 0.400 . 1 . . . A 74 LYS CE . 19023 1 765 . 1 1 74 74 LYS N N 15 120.562 0.400 . 1 . . . A 74 LYS N . 19023 1 766 . 1 1 75 75 LYS H H 1 8.208 0.020 . 1 . . . A 75 LYS H . 19023 1 767 . 1 1 75 75 LYS HA H 1 4.358 0.020 . 1 . . . A 75 LYS HA . 19023 1 768 . 1 1 75 75 LYS HB2 H 1 1.810 0.020 . 2 . . . A 75 LYS HB2 . 19023 1 769 . 1 1 75 75 LYS HB3 H 1 1.810 0.020 . 2 . . . A 75 LYS HB3 . 19023 1 770 . 1 1 75 75 LYS HG2 H 1 1.424 0.020 . 2 . . . A 75 LYS HG2 . 19023 1 771 . 1 1 75 75 LYS HG3 H 1 1.424 0.020 . 2 . . . A 75 LYS HG3 . 19023 1 772 . 1 1 75 75 LYS CA C 13 56.163 0.400 . 1 . . . A 75 LYS CA . 19023 1 773 . 1 1 75 75 LYS CB C 13 33.111 0.400 . 1 . . . A 75 LYS CB . 19023 1 774 . 1 1 75 75 LYS CG C 13 24.976 0.400 . 1 . . . A 75 LYS CG . 19023 1 775 . 1 1 75 75 LYS N N 15 122.512 0.400 . 1 . . . A 75 LYS N . 19023 1 776 . 1 1 76 76 VAL H H 1 8.076 0.020 . 1 . . . A 76 VAL H . 19023 1 777 . 1 1 76 76 VAL HA H 1 4.116 0.020 . 1 . . . A 76 VAL HA . 19023 1 778 . 1 1 76 76 VAL HB H 1 2.050 0.020 . 1 . . . A 76 VAL HB . 19023 1 779 . 1 1 76 76 VAL HG11 H 1 0.931 0.020 . 2 . . . A 76 VAL HG1 . 19023 1 780 . 1 1 76 76 VAL HG12 H 1 0.931 0.020 . 2 . . . A 76 VAL HG1 . 19023 1 781 . 1 1 76 76 VAL HG13 H 1 0.931 0.020 . 2 . . . A 76 VAL HG1 . 19023 1 782 . 1 1 76 76 VAL HG21 H 1 0.931 0.020 . 2 . . . A 76 VAL HG2 . 19023 1 783 . 1 1 76 76 VAL HG22 H 1 0.931 0.020 . 2 . . . A 76 VAL HG2 . 19023 1 784 . 1 1 76 76 VAL HG23 H 1 0.931 0.020 . 2 . . . A 76 VAL HG2 . 19023 1 785 . 1 1 76 76 VAL C C 13 175.802 0.400 . 1 . . . A 76 VAL C . 19023 1 786 . 1 1 76 76 VAL CA C 13 62.002 0.400 . 1 . . . A 76 VAL CA . 19023 1 787 . 1 1 76 76 VAL CB C 13 33.053 0.400 . 1 . . . A 76 VAL CB . 19023 1 788 . 1 1 76 76 VAL N N 15 121.638 0.400 . 1 . . . A 76 VAL N . 19023 1 789 . 1 1 77 77 LYS H H 1 8.383 0.020 . 1 . . . A 77 LYS H . 19023 1 790 . 1 1 77 77 LYS HA H 1 4.639 0.020 . 1 . . . A 77 LYS HA . 19023 1 791 . 1 1 77 77 LYS HB2 H 1 1.830 0.020 . 2 . . . A 77 LYS HB2 . 19023 1 792 . 1 1 77 77 LYS HB3 H 1 1.728 0.020 . 2 . . . A 77 LYS HB3 . 19023 1 793 . 1 1 77 77 LYS HG2 H 1 1.486 0.020 . 2 . . . A 77 LYS HG2 . 19023 1 794 . 1 1 77 77 LYS HG3 H 1 1.486 0.020 . 2 . . . A 77 LYS HG3 . 19023 1 795 . 1 1 77 77 LYS HE2 H 1 3.010 0.020 . 2 . . . A 77 LYS HE2 . 19023 1 796 . 1 1 77 77 LYS HE3 H 1 3.010 0.020 . 2 . . . A 77 LYS HE3 . 19023 1 797 . 1 1 77 77 LYS CA C 13 53.971 0.400 . 1 . . . A 77 LYS CA . 19023 1 798 . 1 1 77 77 LYS CB C 13 32.666 0.400 . 1 . . . A 77 LYS CB . 19023 1 799 . 1 1 77 77 LYS N N 15 127.091 0.400 . 1 . . . A 77 LYS N . 19023 1 800 . 1 1 79 79 PRO C C 13 176.060 0.400 . 1 . . . A 79 PRO C . 19023 1 801 . 1 1 79 79 PRO CA C 13 63.267 0.400 . 1 . . . A 79 PRO CA . 19023 1 802 . 1 1 79 79 PRO CB C 13 31.907 0.400 . 1 . . . A 79 PRO CB . 19023 1 803 . 1 1 80 80 ARG H H 1 7.789 0.020 . 1 . . . A 80 ARG H . 19023 1 804 . 1 1 80 80 ARG HA H 1 4.164 0.020 . 1 . . . A 80 ARG HA . 19023 1 805 . 1 1 80 80 ARG HB2 H 1 1.858 0.020 . 2 . . . A 80 ARG HB2 . 19023 1 806 . 1 1 80 80 ARG HB3 H 1 1.740 0.020 . 2 . . . A 80 ARG HB3 . 19023 1 807 . 1 1 80 80 ARG HG2 H 1 1.612 0.020 . 2 . . . A 80 ARG HG2 . 19023 1 808 . 1 1 80 80 ARG HG3 H 1 1.612 0.020 . 2 . . . A 80 ARG HG3 . 19023 1 809 . 1 1 80 80 ARG HD2 H 1 3.222 0.020 . 2 . . . A 80 ARG HD2 . 19023 1 810 . 1 1 80 80 ARG HD3 H 1 3.222 0.020 . 2 . . . A 80 ARG HD3 . 19023 1 811 . 1 1 80 80 ARG CA C 13 57.341 0.400 . 1 . . . A 80 ARG CA . 19023 1 812 . 1 1 80 80 ARG CB C 13 31.734 0.400 . 1 . . . A 80 ARG CB . 19023 1 813 . 1 1 80 80 ARG N N 15 125.299 0.400 . 1 . . . A 80 ARG N . 19023 1 stop_ save_