data_16166 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16166 _Entry.Title ; 1H, 15N and 13C backbone resonance assignments of domain 3 of the non-structural 5A (NS5A) protein from Hepatitis C Virus (Con1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-02-11 _Entry.Accession_date 2009-02-11 _Entry.Last_release_date 2009-03-20 _Entry.Original_release_date 2009-03-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Xavier Hanoulle . . . 16166 2 Dries Verdegem . . . 16166 3 Aurelie Badillo . . . 16166 4 Jean-Michel Wieruszeski . . . 16166 5 Francois Penin . . . 16166 6 Guy Lippens . . . 16166 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'UMR5086 CNRS-Universite de Lyon, IBCP' . 16166 1 . 'UMR8576 CNRS-USTL' . 16166 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16166 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 257 16166 '15N chemical shifts' 82 16166 '1H chemical shifts' 82 16166 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 1 . . 2009-03-20 2009-02-11 original author . 16166 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16166 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19249289 _Citation.Full_citation . _Citation.Title 'Domain 3 of non structural protein 5A from hepatitis C virus is natively unfolded' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume . _Citation.Journal_issue . _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 634 _Citation.Page_last 638 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xavier Hanoulle . . . 16166 1 2 Dries Verdegem . . . 16166 1 3 Aurelie Badillo . . . 16166 1 4 Jean-Michel Wieruszeski . . . 16166 1 5 Francois Penin . . . 16166 1 6 Guy Lippens . . . 16166 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HCV 16166 1 NMR 16166 1 NS5A 16166 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16166 _Assembly.ID 1 _Assembly.Name 'HCV (Con1) NS5A-D3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 NS5A-D3 1 $HCV_(Con1)_NS5A-D3 A . yes native no no . . . 16166 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HCV_(Con1)_NS5A-D3 _Entity.Sf_category entity _Entity.Sf_framecode HCV_(Con1)_NS5A-D3 _Entity.Entry_ID 16166 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HCV_(Con1)_NS5A-D3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRTVVLSESTVSSALAELAT KTFGSSESSAVDSGTATASP DQPSDDGDAGSDVESYSSMP PLEGEPGDPDLSDGSWSTVS EEASEDVVLQHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 2 to 88 correspond to residues 359 to 445 of NS5A protein from HCV Con1 strain.' _Entity.Polymer_author_seq_details ; The first Methionine residue is a cloning artifact. The last 8 residues represent a non-native affinity tag. This is the domain 3 of the HCV (Con1, genotype 1b) NS5A protein. ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Domain 3 of HCV NS5A protein' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes Swiss-Prot Q9WMX2 . POLG_HCVCO . . . . . . . . . . . . . . 16166 1 2 yes Genbank AJ238799 . "Hepatitis C virus type 1b complete genome, isolate Con1" . . . . . . . . . . . . . . 16166 1 3 yes euHCVdb AJ238799 . "Complete HCV polyprotein (contains C, E1, E2, P7, NS2, NS3, NS4A, NS4B, NS5A, NS5B)." . . . . . . . . . . . . . . 16166 1 4 no BMRB 16800 . HCV_(Con1)_NS5A-D3 . . . . . 100.00 96 100.00 100.00 1.02e-57 . . . . 16166 1 5 no DBJ BAD73972 . "polyprotein, partial [Hepatitis C virus subtype 1b]" . . . . . 90.63 3010 97.70 98.85 1.17e-43 . . . . 16166 1 6 no DBJ BAD73974 . "polyprotein, partial [Hepatitis C virus subtype 1b]" . . . . . 90.63 3010 97.70 98.85 1.08e-43 . . . . 16166 1 7 no DBJ BAD73975 . "polyprotein, partial [Hepatitis C virus subtype 1b]" . . . . . 90.63 3010 97.70 98.85 1.09e-43 . . . . 16166 1 8 no DBJ BAD73984 . "polyprotein, partial [Hepatitis C virus subtype 1b]" . . . . . 90.63 3010 98.85 100.00 2.94e-44 . . . . 16166 1 9 no DBJ BAD73985 . "polyprotein, partial [Hepatitis C virus subtype 1b]" . . . . . 90.63 3010 97.70 98.85 1.08e-42 . . . . 16166 1 10 no EMBL CAB46677 . "polyprotein [Hepatitis C virus subtype 1b]" . . . . . 90.63 3010 100.00 100.00 1.63e-44 . . . . 16166 1 11 no EMBL CAB46911 . "non-structural polyprotein [Hepatitis C virus]" . . . . . 90.63 2201 100.00 100.00 1.29e-44 . . . . 16166 1 12 no EMBL CAB46913 . "non-structural polyprotein [Hepatitis C virus]" . . . . . 90.63 1985 100.00 100.00 1.24e-44 . . . . 16166 1 13 no EMBL CAB46915 . "non-structural polyprotein [Hepatitis C virus]" . . . . . 90.63 2201 100.00 100.00 1.29e-44 . . . . 16166 1 14 no EMBL CAB46917 . "non-structural polyprotein [Hepatitis C virus]" . . . . . 90.63 1985 100.00 100.00 1.24e-44 . . . . 16166 1 15 no GB AAL55821 . "polyprotein, partial [Hepatitis C virus]" . . . . . 90.63 3010 97.70 98.85 1.23e-43 . . . . 16166 1 16 no GB AAY23099 . "nonstructural protein 5A, partial [Hepatitis C virus]" . . . . . 91.67 406 98.86 98.86 1.92e-46 . . . . 16166 1 17 no GB AAY23100 . "nonstructural protein 5A, partial [Hepatitis C virus]" . . . . . 91.67 406 98.86 98.86 3.15e-46 . . . . 16166 1 18 no GB AAY23101 . "nonstructural protein 5A, partial [Hepatitis C virus]" . . . . . 91.67 406 97.73 98.86 1.22e-45 . . . . 16166 1 19 no GB AAY23102 . "nonstructural protein 5A, partial [Hepatitis C virus]" . . . . . 91.67 406 98.86 98.86 2.63e-46 . . . . 16166 1 20 no SP Q9WMX2 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 90.63 3010 100.00 100.00 1.63e-44 . . . . 16166 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'involved in HCV particles production and assembly' 16166 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16166 1 2 . ARG . 16166 1 3 . THR . 16166 1 4 . VAL . 16166 1 5 . VAL . 16166 1 6 . LEU . 16166 1 7 . SER . 16166 1 8 . GLU . 16166 1 9 . SER . 16166 1 10 . THR . 16166 1 11 . VAL . 16166 1 12 . SER . 16166 1 13 . SER . 16166 1 14 . ALA . 16166 1 15 . LEU . 16166 1 16 . ALA . 16166 1 17 . GLU . 16166 1 18 . LEU . 16166 1 19 . ALA . 16166 1 20 . THR . 16166 1 21 . LYS . 16166 1 22 . THR . 16166 1 23 . PHE . 16166 1 24 . GLY . 16166 1 25 . SER . 16166 1 26 . SER . 16166 1 27 . GLU . 16166 1 28 . SER . 16166 1 29 . SER . 16166 1 30 . ALA . 16166 1 31 . VAL . 16166 1 32 . ASP . 16166 1 33 . SER . 16166 1 34 . GLY . 16166 1 35 . THR . 16166 1 36 . ALA . 16166 1 37 . THR . 16166 1 38 . ALA . 16166 1 39 . SER . 16166 1 40 . PRO . 16166 1 41 . ASP . 16166 1 42 . GLN . 16166 1 43 . PRO . 16166 1 44 . SER . 16166 1 45 . ASP . 16166 1 46 . ASP . 16166 1 47 . GLY . 16166 1 48 . ASP . 16166 1 49 . ALA . 16166 1 50 . GLY . 16166 1 51 . SER . 16166 1 52 . ASP . 16166 1 53 . VAL . 16166 1 54 . GLU . 16166 1 55 . SER . 16166 1 56 . TYR . 16166 1 57 . SER . 16166 1 58 . SER . 16166 1 59 . MET . 16166 1 60 . PRO . 16166 1 61 . PRO . 16166 1 62 . LEU . 16166 1 63 . GLU . 16166 1 64 . GLY . 16166 1 65 . GLU . 16166 1 66 . PRO . 16166 1 67 . GLY . 16166 1 68 . ASP . 16166 1 69 . PRO . 16166 1 70 . ASP . 16166 1 71 . LEU . 16166 1 72 . SER . 16166 1 73 . ASP . 16166 1 74 . GLY . 16166 1 75 . SER . 16166 1 76 . TRP . 16166 1 77 . SER . 16166 1 78 . THR . 16166 1 79 . VAL . 16166 1 80 . SER . 16166 1 81 . GLU . 16166 1 82 . GLU . 16166 1 83 . ALA . 16166 1 84 . SER . 16166 1 85 . GLU . 16166 1 86 . ASP . 16166 1 87 . VAL . 16166 1 88 . VAL . 16166 1 89 . LEU . 16166 1 90 . GLN . 16166 1 91 . HIS . 16166 1 92 . HIS . 16166 1 93 . HIS . 16166 1 94 . HIS . 16166 1 95 . HIS . 16166 1 96 . HIS . 16166 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16166 1 . ARG 2 2 16166 1 . THR 3 3 16166 1 . VAL 4 4 16166 1 . VAL 5 5 16166 1 . LEU 6 6 16166 1 . SER 7 7 16166 1 . GLU 8 8 16166 1 . SER 9 9 16166 1 . THR 10 10 16166 1 . VAL 11 11 16166 1 . SER 12 12 16166 1 . SER 13 13 16166 1 . ALA 14 14 16166 1 . LEU 15 15 16166 1 . ALA 16 16 16166 1 . GLU 17 17 16166 1 . LEU 18 18 16166 1 . ALA 19 19 16166 1 . THR 20 20 16166 1 . LYS 21 21 16166 1 . THR 22 22 16166 1 . PHE 23 23 16166 1 . GLY 24 24 16166 1 . SER 25 25 16166 1 . SER 26 26 16166 1 . GLU 27 27 16166 1 . SER 28 28 16166 1 . SER 29 29 16166 1 . ALA 30 30 16166 1 . VAL 31 31 16166 1 . ASP 32 32 16166 1 . SER 33 33 16166 1 . GLY 34 34 16166 1 . THR 35 35 16166 1 . ALA 36 36 16166 1 . THR 37 37 16166 1 . ALA 38 38 16166 1 . SER 39 39 16166 1 . PRO 40 40 16166 1 . ASP 41 41 16166 1 . GLN 42 42 16166 1 . PRO 43 43 16166 1 . SER 44 44 16166 1 . ASP 45 45 16166 1 . ASP 46 46 16166 1 . GLY 47 47 16166 1 . ASP 48 48 16166 1 . ALA 49 49 16166 1 . GLY 50 50 16166 1 . SER 51 51 16166 1 . ASP 52 52 16166 1 . VAL 53 53 16166 1 . GLU 54 54 16166 1 . SER 55 55 16166 1 . TYR 56 56 16166 1 . SER 57 57 16166 1 . SER 58 58 16166 1 . MET 59 59 16166 1 . PRO 60 60 16166 1 . PRO 61 61 16166 1 . LEU 62 62 16166 1 . GLU 63 63 16166 1 . GLY 64 64 16166 1 . GLU 65 65 16166 1 . PRO 66 66 16166 1 . GLY 67 67 16166 1 . ASP 68 68 16166 1 . PRO 69 69 16166 1 . ASP 70 70 16166 1 . LEU 71 71 16166 1 . SER 72 72 16166 1 . ASP 73 73 16166 1 . GLY 74 74 16166 1 . SER 75 75 16166 1 . TRP 76 76 16166 1 . SER 77 77 16166 1 . THR 78 78 16166 1 . VAL 79 79 16166 1 . SER 80 80 16166 1 . GLU 81 81 16166 1 . GLU 82 82 16166 1 . ALA 83 83 16166 1 . SER 84 84 16166 1 . GLU 85 85 16166 1 . ASP 86 86 16166 1 . VAL 87 87 16166 1 . VAL 88 88 16166 1 . LEU 89 89 16166 1 . GLN 90 90 16166 1 . HIS 91 91 16166 1 . HIS 92 92 16166 1 . HIS 93 93 16166 1 . HIS 94 94 16166 1 . HIS 95 95 16166 1 . HIS 96 96 16166 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 16166 _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 $HCV_(Con1)_NS5A-D3 . 11103 virus . 'Hepatitis C Virus' 'Hepatitis C Virus' . . 'Hepatitis C Virus' . Hepacivirus 'Hepatitis C Virus' 'Con1 isolate' 'genotype 1b' . . . . . . . . . . . . . . . . . . . 16166 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 16166 _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 $HCV_(Con1)_NS5A-D3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)Star . . . . . . . . . . . . . . . pT7.7 . . . . . . 16166 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16166 _Sample.ID 1 _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 'HCV (Con1) NS5A-D3' '[U-95% 13C; U-98% 15N]' . . 1 $HCV_(Con1)_NS5A-D3 . . 440 . . uM . . . . 16166 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16166 1 3 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 16166 1 4 THP 'natural abundance' . . . . . . 1 . . mM . . . . 16166 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16166 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16166 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16166 1 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 16166 _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' 30 . mM 16166 1 pH 6.4 . pH 16166 1 pressure 1.0 . atm 16166 1 temperature 298 . K 16166 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16166 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16166 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16166 1 processing 16166 1 stop_ save_ save_In_house_product_plane_algorithm _Software.Sf_category software _Software.Sf_framecode In_house_product_plane_algorithm _Software.Entry_ID 16166 _Software.ID 2 _Software.Name In_house_product_plane_algorithm _Software.Version . _Software.Details 'Published in 2008 (Verdegem et al. (2008) J. Biomol NMR 42:11-21) and made publicly available in the present CCPN release.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dries Verdegem & Guy Lippens' . . 16166 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16166 2 'data analysis' 16166 2 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 16166 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 16166 _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 . 800 . . . 16166 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 16166 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16166 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16166 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16166 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16166 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16166 1 6 '3D HNCANNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16166 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 16166 _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 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 16166 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 16166 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 16166 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 16166 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.0068 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2724 _Assigned_chem_shift_list.Chem_shift_15N_err 0.0979 _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 '13C chemical shift error for CO assignments is 0.107' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16166 1 2 '3D HNCO' . . . 16166 1 4 '3D HNCACB' . . . 16166 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $In_house_product_plane_algorithm . . 16166 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 ARG C C 13 176.036 0.107 . 1 . . . . 2 ARG CO . 16166 1 2 . 1 1 2 2 ARG CA C 13 56.300 0.272 . 1 . . . . 2 ARG CA . 16166 1 3 . 1 1 2 2 ARG CB C 13 30.984 0.272 . 1 . . . . 2 ARG CB . 16166 1 4 . 1 1 3 3 THR H H 1 8.410 0.007 . 1 . . . . 3 THR H . 16166 1 5 . 1 1 3 3 THR C C 13 174.207 0.107 . 1 . . . . 3 THR CO . 16166 1 6 . 1 1 3 3 THR CA C 13 62.200 0.272 . 1 . . . . 3 THR CA . 16166 1 7 . 1 1 3 3 THR CB C 13 69.815 0.272 . 1 . . . . 3 THR CB . 16166 1 8 . 1 1 3 3 THR N N 15 118.082 0.098 . 1 . . . . 3 THR N . 16166 1 9 . 1 1 4 4 VAL H H 1 8.301 0.007 . 1 . . . . 4 VAL H . 16166 1 10 . 1 1 4 4 VAL C C 13 175.661 0.107 . 1 . . . . 4 VAL CO . 16166 1 11 . 1 1 4 4 VAL CA C 13 62.400 0.272 . 1 . . . . 4 VAL CA . 16166 1 12 . 1 1 4 4 VAL CB C 13 33.028 0.272 . 1 . . . . 4 VAL CB . 16166 1 13 . 1 1 4 4 VAL N N 15 124.006 0.098 . 1 . . . . 4 VAL N . 16166 1 14 . 1 1 5 5 VAL H H 1 8.342 0.007 . 1 . . . . 5 VAL H . 16166 1 15 . 1 1 5 5 VAL C C 13 176.036 0.107 . 1 . . . . 5 VAL CO . 16166 1 16 . 1 1 5 5 VAL CA C 13 62.300 0.272 . 1 . . . . 5 VAL CA . 16166 1 17 . 1 1 5 5 VAL CB C 13 32.772 0.272 . 1 . . . . 5 VAL CB . 16166 1 18 . 1 1 5 5 VAL N N 15 125.671 0.098 . 1 . . . . 5 VAL N . 16166 1 19 . 1 1 6 6 LEU H H 1 8.479 0.007 . 1 . . . . 6 LEU H . 16166 1 20 . 1 1 6 6 LEU C C 13 177.278 0.107 . 1 . . . . 6 LEU CO . 16166 1 21 . 1 1 6 6 LEU CA C 13 55.100 0.272 . 1 . . . . 6 LEU CA . 16166 1 22 . 1 1 6 6 LEU CB C 13 42.480 0.272 . 1 . . . . 6 LEU CB . 16166 1 23 . 1 1 6 6 LEU N N 15 127.483 0.098 . 1 . . . . 6 LEU N . 16166 1 24 . 1 1 7 7 SER H H 1 8.354 0.007 . 1 . . . . 7 SER H . 16166 1 25 . 1 1 7 7 SER C C 13 174.582 0.107 . 1 . . . . 7 SER CO . 16166 1 26 . 1 1 7 7 SER CA C 13 58.300 0.272 . 1 . . . . 7 SER CA . 16166 1 27 . 1 1 7 7 SER CB C 13 63.939 0.272 . 1 . . . . 7 SER CB . 16166 1 28 . 1 1 7 7 SER N N 15 116.911 0.098 . 1 . . . . 7 SER N . 16166 1 29 . 1 1 8 8 GLU H H 1 8.533 0.007 . 1 . . . . 8 GLU H . 16166 1 30 . 1 1 8 8 GLU C C 13 176.692 0.107 . 1 . . . . 8 GLU CO . 16166 1 31 . 1 1 8 8 GLU CA C 13 57.000 0.272 . 1 . . . . 8 GLU CA . 16166 1 32 . 1 1 8 8 GLU CB C 13 30.217 0.272 . 1 . . . . 8 GLU CB . 16166 1 33 . 1 1 8 8 GLU N N 15 122.930 0.098 . 1 . . . . 8 GLU N . 16166 1 34 . 1 1 9 9 SER H H 1 8.383 0.007 . 1 . . . . 9 SER H . 16166 1 35 . 1 1 9 9 SER C C 13 174.934 0.107 . 1 . . . . 9 SER CO . 16166 1 36 . 1 1 9 9 SER CA C 13 58.600 0.272 . 1 . . . . 9 SER CA . 16166 1 37 . 1 1 9 9 SER CB C 13 63.808 0.272 . 1 . . . . 9 SER CB . 16166 1 38 . 1 1 9 9 SER N N 15 116.420 0.098 . 1 . . . . 9 SER N . 16166 1 39 . 1 1 10 10 THR H H 1 8.220 0.007 . 1 . . . . 10 THR H . 16166 1 40 . 1 1 10 10 THR C C 13 174.817 0.107 . 1 . . . . 10 THR CO . 16166 1 41 . 1 1 10 10 THR CA C 13 62.407 0.272 . 1 . . . . 10 THR CA . 16166 1 42 . 1 1 10 10 THR CB C 13 69.815 0.272 . 1 . . . . 10 THR CB . 16166 1 43 . 1 1 10 10 THR N N 15 116.440 0.098 . 1 . . . . 10 THR N . 16166 1 44 . 1 1 11 11 VAL H H 1 8.151 0.007 . 1 . . . . 11 VAL H . 16166 1 45 . 1 1 11 11 VAL C C 13 176.458 0.107 . 1 . . . . 11 VAL CO . 16166 1 46 . 1 1 11 11 VAL CA C 13 62.789 0.272 . 1 . . . . 11 VAL CA . 16166 1 47 . 1 1 11 11 VAL CB C 13 32.772 0.272 . 1 . . . . 11 VAL CB . 16166 1 48 . 1 1 11 11 VAL N N 15 122.339 0.098 . 1 . . . . 11 VAL N . 16166 1 49 . 1 1 12 12 SER H H 1 8.424 0.007 . 1 . . . . 12 SER H . 16166 1 50 . 1 1 12 12 SER C C 13 175.168 0.107 . 1 . . . . 12 SER CO . 16166 1 51 . 1 1 12 12 SER CA C 13 58.830 0.272 . 1 . . . . 12 SER CA . 16166 1 52 . 1 1 12 12 SER CB C 13 63.684 0.272 . 1 . . . . 12 SER CB . 16166 1 53 . 1 1 12 12 SER N N 15 119.257 0.098 . 1 . . . . 12 SER N . 16166 1 54 . 1 1 13 13 SER H H 1 8.410 0.007 . 1 . . . . 13 SER H . 16166 1 55 . 1 1 13 13 SER C C 13 174.746 0.107 . 1 . . . . 13 SER CO . 16166 1 56 . 1 1 13 13 SER CA C 13 59.085 0.272 . 1 . . . . 13 SER CA . 16166 1 57 . 1 1 13 13 SER CB C 13 63.684 0.272 . 1 . . . . 13 SER CB . 16166 1 58 . 1 1 13 13 SER N N 15 118.597 0.098 . 1 . . . . 13 SER N . 16166 1 59 . 1 1 14 14 ALA H H 1 8.280 0.007 . 1 . . . . 14 ALA H . 16166 1 60 . 1 1 14 14 ALA C C 13 178.357 0.107 . 1 . . . . 14 ALA CO . 16166 1 61 . 1 1 14 14 ALA CA C 13 53.210 0.272 . 1 . . . . 14 ALA CA . 16166 1 62 . 1 1 14 14 ALA CB C 13 18.977 0.272 . 1 . . . . 14 ALA CB . 16166 1 63 . 1 1 14 14 ALA N N 15 125.807 0.098 . 1 . . . . 14 ALA N . 16166 1 64 . 1 1 15 15 LEU H H 1 8.043 0.007 . 1 . . . . 15 LEU H . 16166 1 65 . 1 1 15 15 LEU C C 13 177.911 0.107 . 1 . . . . 15 LEU CO . 16166 1 66 . 1 1 15 15 LEU CA C 13 55.764 0.272 . 1 . . . . 15 LEU CA . 16166 1 67 . 1 1 15 15 LEU CB C 13 42.224 0.272 . 1 . . . . 15 LEU CB . 16166 1 68 . 1 1 15 15 LEU N N 15 120.372 0.098 . 1 . . . . 15 LEU N . 16166 1 69 . 1 1 16 16 ALA H H 1 8.138 0.007 . 1 . . . . 16 ALA H . 16166 1 70 . 1 1 16 16 ALA C C 13 178.403 0.107 . 1 . . . . 16 ALA CO . 16166 1 71 . 1 1 16 16 ALA CA C 13 53.210 0.272 . 1 . . . . 16 ALA CA . 16166 1 72 . 1 1 16 16 ALA CB C 13 18.977 0.272 . 1 . . . . 16 ALA CB . 16166 1 73 . 1 1 16 16 ALA N N 15 124.150 0.098 . 1 . . . . 16 ALA N . 16166 1 74 . 1 1 17 17 GLU H H 1 8.234 0.007 . 1 . . . . 17 GLU H . 16166 1 75 . 1 1 17 17 GLU C C 13 177.067 0.107 . 1 . . . . 17 GLU CO . 16166 1 76 . 1 1 17 17 GLU CA C 13 57.042 0.272 . 1 . . . . 17 GLU CA . 16166 1 77 . 1 1 17 17 GLU CB C 13 29.962 0.272 . 1 . . . . 17 GLU CB . 16166 1 78 . 1 1 17 17 GLU N N 15 119.254 0.098 . 1 . . . . 17 GLU N . 16166 1 79 . 1 1 18 18 LEU H H 1 8.078 0.007 . 1 . . . . 18 LEU H . 16166 1 80 . 1 1 18 18 LEU C C 13 177.677 0.107 . 1 . . . . 18 LEU CO . 16166 1 81 . 1 1 18 18 LEU CA C 13 55.764 0.272 . 1 . . . . 18 LEU CA . 16166 1 82 . 1 1 18 18 LEU CB C 13 42.224 0.272 . 1 . . . . 18 LEU CB . 16166 1 83 . 1 1 18 18 LEU N N 15 122.176 0.098 . 1 . . . . 18 LEU N . 16166 1 84 . 1 1 19 19 ALA H H 1 8.165 0.007 . 1 . . . . 19 ALA H . 16166 1 85 . 1 1 19 19 ALA C C 13 178.192 0.107 . 1 . . . . 19 ALA CO . 16166 1 86 . 1 1 19 19 ALA CA C 13 52.954 0.272 . 1 . . . . 19 ALA CA . 16166 1 87 . 1 1 19 19 ALA CB C 13 19.232 0.272 . 1 . . . . 19 ALA CB . 16166 1 88 . 1 1 19 19 ALA N N 15 123.856 0.098 . 1 . . . . 19 ALA N . 16166 1 89 . 1 1 20 20 THR H H 1 7.988 0.007 . 1 . . . . 20 THR H . 16166 1 90 . 1 1 20 20 THR C C 13 174.723 0.107 . 1 . . . . 20 THR CO . 16166 1 91 . 1 1 20 20 THR CA C 13 62.407 0.272 . 1 . . . . 20 THR CA . 16166 1 92 . 1 1 20 20 THR CB C 13 69.815 0.272 . 1 . . . . 20 THR CB . 16166 1 93 . 1 1 20 20 THR N N 15 112.767 0.098 . 1 . . . . 20 THR N . 16166 1 94 . 1 1 21 21 LYS H H 1 8.206 0.007 . 1 . . . . 21 LYS H . 16166 1 95 . 1 1 21 21 LYS C C 13 176.527 0.107 . 1 . . . . 21 LYS CO . 16166 1 96 . 1 1 21 21 LYS CA C 13 56.402 0.272 . 1 . . . . 21 LYS CA . 16166 1 97 . 1 1 21 21 LYS CB C 13 33.027 0.272 . 1 . . . . 21 LYS CB . 16166 1 98 . 1 1 21 21 LYS N N 15 123.590 0.098 . 1 . . . . 21 LYS N . 16166 1 99 . 1 1 22 22 THR H H 1 8.083 0.007 . 1 . . . . 22 THR H . 16166 1 100 . 1 1 22 22 THR C C 13 174.254 0.107 . 1 . . . . 22 THR CO . 16166 1 101 . 1 1 22 22 THR CA C 13 61.896 0.272 . 1 . . . . 22 THR CA . 16166 1 102 . 1 1 22 22 THR CB C 13 69.942 0.272 . 1 . . . . 22 THR CB . 16166 1 103 . 1 1 22 22 THR N N 15 115.218 0.098 . 1 . . . . 22 THR N . 16166 1 104 . 1 1 23 23 PHE H H 1 8.357 0.007 . 1 . . . . 23 PHE H . 16166 1 105 . 1 1 23 23 PHE C C 13 176.270 0.107 . 1 . . . . 23 PHE CO . 16166 1 106 . 1 1 23 23 PHE CA C 13 58.064 0.272 . 1 . . . . 23 PHE CA . 16166 1 107 . 1 1 23 23 PHE CB C 13 39.670 0.272 . 1 . . . . 23 PHE CB . 16166 1 108 . 1 1 23 23 PHE N N 15 122.685 0.098 . 1 . . . . 23 PHE N . 16166 1 109 . 1 1 24 24 GLY H H 1 8.410 0.007 . 1 . . . . 24 GLY H . 16166 1 110 . 1 1 24 24 GLY C C 13 174.113 0.107 . 1 . . . . 24 GLY CO . 16166 1 111 . 1 1 24 24 GLY CA C 13 45.290 0.272 . 1 . . . . 24 GLY CA . 16166 1 112 . 1 1 24 24 GLY N N 15 111.007 0.098 . 1 . . . . 24 GLY N . 16166 1 113 . 1 1 25 25 SER H H 1 8.247 0.007 . 1 . . . . 25 SER H . 16166 1 114 . 1 1 25 25 SER C C 13 174.910 0.107 . 1 . . . . 25 SER CO . 16166 1 115 . 1 1 25 25 SER CA C 13 58.319 0.272 . 1 . . . . 25 SER CA . 16166 1 116 . 1 1 25 25 SER CB C 13 64.067 0.272 . 1 . . . . 25 SER CB . 16166 1 117 . 1 1 25 25 SER N N 15 115.681 0.098 . 1 . . . . 25 SER N . 16166 1 118 . 1 1 26 26 SER H H 1 8.519 0.007 . 1 . . . . 26 SER H . 16166 1 119 . 1 1 26 26 SER C C 13 174.723 0.107 . 1 . . . . 26 SER CO . 16166 1 120 . 1 1 26 26 SER CA C 13 58.574 0.272 . 1 . . . . 26 SER CA . 16166 1 121 . 1 1 26 26 SER CB C 13 63.939 0.272 . 1 . . . . 26 SER CB . 16166 1 122 . 1 1 26 26 SER N N 15 117.999 0.098 . 1 . . . . 26 SER N . 16166 1 123 . 1 1 27 27 GLU H H 1 8.506 0.007 . 1 . . . . 27 GLU H . 16166 1 124 . 1 1 27 27 GLU C C 13 176.739 0.107 . 1 . . . . 27 GLU CO . 16166 1 125 . 1 1 27 27 GLU CA C 13 56.906 0.272 . 1 . . . . 27 GLU CA . 16166 1 126 . 1 1 27 27 GLU CB C 13 30.217 0.272 . 1 . . . . 27 GLU CB . 16166 1 127 . 1 1 27 27 GLU N N 15 122.654 0.098 . 1 . . . . 27 GLU N . 16166 1 128 . 1 1 28 28 SER H H 1 8.356 0.007 . 1 . . . . 28 SER H . 16166 1 129 . 1 1 28 28 SER C C 13 174.676 0.107 . 1 . . . . 28 SER CO . 16166 1 130 . 1 1 28 28 SER CA C 13 58.575 0.272 . 1 . . . . 28 SER CA . 16166 1 131 . 1 1 28 28 SER CB C 13 63.939 0.272 . 1 . . . . 28 SER CB . 16166 1 132 . 1 1 28 28 SER N N 15 116.613 0.098 . 1 . . . . 28 SER N . 16166 1 133 . 1 1 29 29 SER H H 1 8.346 0.007 . 1 . . . . 29 SER H . 16166 1 134 . 1 1 29 29 SER C C 13 174.254 0.107 . 1 . . . . 29 SER CO . 16166 1 135 . 1 1 29 29 SER CA C 13 58.575 0.272 . 1 . . . . 29 SER CA . 16166 1 136 . 1 1 29 29 SER CB C 13 63.939 0.272 . 1 . . . . 29 SER CB . 16166 1 137 . 1 1 29 29 SER N N 15 117.962 0.098 . 1 . . . . 29 SER N . 16166 1 138 . 1 1 30 30 ALA H H 1 8.315 0.007 . 1 . . . . 30 ALA H . 16166 1 139 . 1 1 30 30 ALA C C 13 177.864 0.107 . 1 . . . . 30 ALA CO . 16166 1 140 . 1 1 30 30 ALA CA C 13 52.699 0.272 . 1 . . . . 30 ALA CA . 16166 1 141 . 1 1 30 30 ALA CB C 13 19.232 0.272 . 1 . . . . 30 ALA CB . 16166 1 142 . 1 1 30 30 ALA N N 15 126.160 0.098 . 1 . . . . 30 ALA N . 16166 1 143 . 1 1 31 31 VAL H H 1 8.094 0.007 . 1 . . . . 31 VAL H . 16166 1 144 . 1 1 31 31 VAL C C 13 176.059 0.107 . 1 . . . . 31 VAL CO . 16166 1 145 . 1 1 31 31 VAL CA C 13 62.407 0.272 . 1 . . . . 31 VAL CA . 16166 1 146 . 1 1 31 31 VAL CB C 13 32.772 0.272 . 1 . . . . 31 VAL CB . 16166 1 147 . 1 1 31 31 VAL N N 15 118.974 0.098 . 1 . . . . 31 VAL N . 16166 1 148 . 1 1 32 32 ASP H H 1 8.403 0.007 . 1 . . . . 32 ASP H . 16166 1 149 . 1 1 32 32 ASP C C 13 176.481 0.107 . 1 . . . . 32 ASP CO . 16166 1 150 . 1 1 32 32 ASP CA C 13 54.232 0.272 . 1 . . . . 32 ASP CA . 16166 1 151 . 1 1 32 32 ASP CB C 13 41.458 0.272 . 1 . . . . 32 ASP CB . 16166 1 152 . 1 1 32 32 ASP N N 15 123.960 0.098 . 1 . . . . 32 ASP N . 16166 1 153 . 1 1 33 33 SER H H 1 8.383 0.007 . 1 . . . . 33 SER H . 16166 1 154 . 1 1 33 33 SER C C 13 175.379 0.107 . 1 . . . . 33 SER CO . 16166 1 155 . 1 1 33 33 SER CA C 13 58.830 0.272 . 1 . . . . 33 SER CA . 16166 1 156 . 1 1 33 33 SER CB C 13 63.812 0.272 . 1 . . . . 33 SER CB . 16166 1 157 . 1 1 33 33 SER N N 15 117.298 0.098 . 1 . . . . 33 SER N . 16166 1 158 . 1 1 34 34 GLY H H 1 8.556 0.007 . 1 . . . . 34 GLY H . 16166 1 159 . 1 1 34 34 GLY C C 13 174.535 0.107 . 1 . . . . 34 GLY CO . 16166 1 160 . 1 1 34 34 GLY CA C 13 45.546 0.272 . 1 . . . . 34 GLY CA . 16166 1 161 . 1 1 34 34 GLY N N 15 110.930 0.098 . 1 . . . . 34 GLY N . 16166 1 162 . 1 1 35 35 THR H H 1 8.033 0.007 . 1 . . . . 35 THR H . 16166 1 163 . 1 1 35 35 THR C C 13 174.488 0.107 . 1 . . . . 35 THR CO . 16166 1 164 . 1 1 35 35 THR CA C 13 61.896 0.272 . 1 . . . . 35 THR CA . 16166 1 165 . 1 1 35 35 THR CB C 13 69.815 0.272 . 1 . . . . 35 THR CB . 16166 1 166 . 1 1 35 35 THR N N 15 113.822 0.098 . 1 . . . . 35 THR N . 16166 1 167 . 1 1 36 36 ALA H H 1 8.383 0.007 . 1 . . . . 36 ALA H . 16166 1 168 . 1 1 36 36 ALA C C 13 177.864 0.107 . 1 . . . . 36 ALA CO . 16166 1 169 . 1 1 36 36 ALA CA C 13 52.699 0.272 . 1 . . . . 36 ALA CA . 16166 1 170 . 1 1 36 36 ALA CB C 13 19.232 0.272 . 1 . . . . 36 ALA CB . 16166 1 171 . 1 1 36 36 ALA N N 15 126.921 0.098 . 1 . . . . 36 ALA N . 16166 1 172 . 1 1 37 37 THR H H 1 8.152 0.007 . 1 . . . . 37 THR H . 16166 1 173 . 1 1 37 37 THR C C 13 174.160 0.107 . 1 . . . . 37 THR CO . 16166 1 174 . 1 1 37 37 THR CA C 13 61.801 0.272 . 1 . . . . 37 THR CA . 16166 1 175 . 1 1 37 37 THR CB C 13 69.944 0.272 . 1 . . . . 37 THR CB . 16166 1 176 . 1 1 37 37 THR N N 15 114.019 0.098 . 1 . . . . 37 THR N . 16166 1 177 . 1 1 38 38 ALA H H 1 8.329 0.007 . 1 . . . . 38 ALA H . 16166 1 178 . 1 1 38 38 ALA C C 13 177.442 0.107 . 1 . . . . 38 ALA CO . 16166 1 179 . 1 1 38 38 ALA CA C 13 52.188 0.272 . 1 . . . . 38 ALA CA . 16166 1 180 . 1 1 38 38 ALA CB C 13 19.488 0.272 . 1 . . . . 38 ALA CB . 16166 1 181 . 1 1 38 38 ALA N N 15 126.992 0.098 . 1 . . . . 38 ALA N . 16166 1 182 . 1 1 39 39 SER H H 1 8.438 0.007 . 1 . . . . 39 SER H . 16166 1 183 . 1 1 39 39 SER C C 13 177.442 0.107 . 1 . . . . 39 SER CO . 16166 1 184 . 1 1 39 39 SER CA C 13 56.275 0.272 . 1 . . . . 39 SER CA . 16166 1 185 . 1 1 39 39 SER CB C 13 63.428 0.272 . 1 . . . . 39 SER CB . 16166 1 186 . 1 1 39 39 SER N N 15 117.198 0.098 . 1 . . . . 39 SER N . 16166 1 187 . 1 1 40 40 PRO C C 13 176.622 0.107 . 1 . . . . 40 PRO CO . 16166 1 188 . 1 1 40 40 PRO CA C 13 63.428 0.272 . 1 . . . . 40 PRO CA . 16166 1 189 . 1 1 40 40 PRO CB C 13 32.006 0.272 . 1 . . . . 40 PRO CB . 16166 1 190 . 1 1 41 41 ASP H H 1 8.342 0.007 . 1 . . . . 41 ASP H . 16166 1 191 . 1 1 41 41 ASP C C 13 175.825 0.107 . 1 . . . . 41 ASP CO . 16166 1 192 . 1 1 41 41 ASP CA C 13 54.487 0.272 . 1 . . . . 41 ASP CA . 16166 1 193 . 1 1 41 41 ASP CB C 13 41.203 0.272 . 1 . . . . 41 ASP CB . 16166 1 194 . 1 1 41 41 ASP N N 15 120.040 0.098 . 1 . . . . 41 ASP N . 16166 1 195 . 1 1 42 42 GLN H H 1 8.179 0.007 . 1 . . . . 42 GLN H . 16166 1 196 . 1 1 42 42 GLN C C 13 173.785 0.107 . 1 . . . . 42 GLN CO . 16166 1 197 . 1 1 42 42 GLN CA C 13 53.465 0.272 . 1 . . . . 42 GLN CA . 16166 1 198 . 1 1 42 42 GLN CB C 13 29.195 0.272 . 1 . . . . 42 GLN CB . 16166 1 199 . 1 1 42 42 GLN N N 15 121.165 0.098 . 1 . . . . 42 GLN N . 16166 1 200 . 1 1 43 43 PRO C C 13 176.973 0.107 . 1 . . . . 43 PRO CO . 16166 1 201 . 1 1 43 43 PRO CA C 13 63.173 0.272 . 1 . . . . 43 PRO CA . 16166 1 202 . 1 1 43 43 PRO CB C 13 32.261 0.272 . 1 . . . . 43 PRO CB . 16166 1 203 . 1 1 44 44 SER H H 1 8.527 0.007 . 1 . . . . 44 SER H . 16166 1 204 . 1 1 44 44 SER C C 13 174.395 0.107 . 1 . . . . 44 SER CO . 16166 1 205 . 1 1 44 44 SER CA C 13 58.192 0.272 . 1 . . . . 44 SER CA . 16166 1 206 . 1 1 44 44 SER CB C 13 64.195 0.272 . 1 . . . . 44 SER CB . 16166 1 207 . 1 1 44 44 SER N N 15 116.564 0.098 . 1 . . . . 44 SER N . 16166 1 208 . 1 1 45 45 ASP H H 1 8.465 0.007 . 1 . . . . 45 ASP H . 16166 1 209 . 1 1 45 45 ASP C C 13 176.012 0.107 . 1 . . . . 45 ASP CO . 16166 1 210 . 1 1 45 45 ASP CA C 13 54.360 0.272 . 1 . . . . 45 ASP CA . 16166 1 211 . 1 1 45 45 ASP CB C 13 41.458 0.272 . 1 . . . . 45 ASP CB . 16166 1 212 . 1 1 45 45 ASP N N 15 122.858 0.098 . 1 . . . . 45 ASP N . 16166 1 213 . 1 1 46 46 ASP H H 1 8.356 0.007 . 1 . . . . 46 ASP H . 16166 1 214 . 1 1 46 46 ASP C C 13 177.020 0.107 . 1 . . . . 46 ASP CO . 16166 1 215 . 1 1 46 46 ASP CA C 13 54.742 0.272 . 1 . . . . 46 ASP CA . 16166 1 216 . 1 1 46 46 ASP CB C 13 41.203 0.272 . 1 . . . . 46 ASP CB . 16166 1 217 . 1 1 46 46 ASP N N 15 121.024 0.098 . 1 . . . . 46 ASP N . 16166 1 218 . 1 1 47 47 GLY H H 1 8.410 0.007 . 1 . . . . 47 GLY H . 16166 1 219 . 1 1 47 47 GLY C C 13 174.160 0.107 . 1 . . . . 47 GLY CO . 16166 1 220 . 1 1 47 47 GLY CA C 13 45.546 0.272 . 1 . . . . 47 GLY CA . 16166 1 221 . 1 1 47 47 GLY N N 15 109.320 0.098 . 1 . . . . 47 GLY N . 16166 1 222 . 1 1 48 48 ASP H H 1 8.281 0.007 . 1 . . . . 48 ASP H . 16166 1 223 . 1 1 48 48 ASP C C 13 176.340 0.107 . 1 . . . . 48 ASP CO . 16166 1 224 . 1 1 48 48 ASP CA C 13 54.232 0.272 . 1 . . . . 48 ASP CA . 16166 1 225 . 1 1 48 48 ASP CB C 13 41.458 0.272 . 1 . . . . 48 ASP CB . 16166 1 226 . 1 1 48 48 ASP N N 15 120.642 0.098 . 1 . . . . 48 ASP N . 16166 1 227 . 1 1 49 49 ALA H H 1 8.329 0.007 . 1 . . . . 49 ALA H . 16166 1 228 . 1 1 49 49 ALA C C 13 178.521 0.107 . 1 . . . . 49 ALA CO . 16166 1 229 . 1 1 49 49 ALA CA C 13 52.954 0.272 . 1 . . . . 49 ALA CA . 16166 1 230 . 1 1 49 49 ALA CB C 13 19.232 0.272 . 1 . . . . 49 ALA CB . 16166 1 231 . 1 1 49 49 ALA N N 15 124.987 0.098 . 1 . . . . 49 ALA N . 16166 1 232 . 1 1 50 50 GLY H H 1 8.451 0.007 . 1 . . . . 50 GLY H . 16166 1 233 . 1 1 50 50 GLY C C 13 174.418 0.107 . 1 . . . . 50 GLY CO . 16166 1 234 . 1 1 50 50 GLY CA C 13 45.290 0.272 . 1 . . . . 50 GLY CA . 16166 1 235 . 1 1 50 50 GLY N N 15 108.043 0.098 . 1 . . . . 50 GLY N . 16166 1 236 . 1 1 51 51 SER H H 1 8.188 0.007 . 1 . . . . 51 SER H . 16166 1 237 . 1 1 51 51 SER C C 13 174.371 0.107 . 1 . . . . 51 SER CO . 16166 1 238 . 1 1 51 51 SER CA C 13 58.575 0.272 . 1 . . . . 51 SER CA . 16166 1 239 . 1 1 51 51 SER CB C 13 64.195 0.272 . 1 . . . . 51 SER CB . 16166 1 240 . 1 1 51 51 SER N N 15 115.361 0.098 . 1 . . . . 51 SER N . 16166 1 241 . 1 1 52 52 ASP H H 1 8.506 0.007 . 1 . . . . 52 ASP H . 16166 1 242 . 1 1 52 52 ASP C C 13 176.364 0.107 . 1 . . . . 52 ASP CO . 16166 1 243 . 1 1 52 52 ASP CA C 13 54.487 0.272 . 1 . . . . 52 ASP CA . 16166 1 244 . 1 1 52 52 ASP CB C 13 40.947 0.272 . 1 . . . . 52 ASP CB . 16166 1 245 . 1 1 52 52 ASP N N 15 122.651 0.098 . 1 . . . . 52 ASP N . 16166 1 246 . 1 1 53 53 VAL H H 1 8.029 0.007 . 1 . . . . 53 VAL H . 16166 1 247 . 1 1 53 53 VAL C C 13 176.504 0.107 . 1 . . . . 53 VAL CO . 16166 1 248 . 1 1 53 53 VAL CA C 13 62.662 0.272 . 1 . . . . 53 VAL CA . 16166 1 249 . 1 1 53 53 VAL CB C 13 32.772 0.272 . 1 . . . . 53 VAL CB . 16166 1 250 . 1 1 53 53 VAL N N 15 119.725 0.098 . 1 . . . . 53 VAL N . 16166 1 251 . 1 1 54 54 GLU H H 1 8.465 0.007 . 1 . . . . 54 GLU H . 16166 1 252 . 1 1 54 54 GLU C C 13 176.598 0.107 . 1 . . . . 54 GLU CO . 16166 1 253 . 1 1 54 54 GLU CA C 13 56.786 0.272 . 1 . . . . 54 GLU CA . 16166 1 254 . 1 1 54 54 GLU CB C 13 30.217 0.272 . 1 . . . . 54 GLU CB . 16166 1 255 . 1 1 54 54 GLU N N 15 124.141 0.098 . 1 . . . . 54 GLU N . 16166 1 256 . 1 1 55 55 SER H H 1 8.247 0.007 . 1 . . . . 55 SER H . 16166 1 257 . 1 1 55 55 SER C C 13 174.348 0.107 . 1 . . . . 55 SER CO . 16166 1 258 . 1 1 55 55 SER CA C 13 58.575 0.272 . 1 . . . . 55 SER CA . 16166 1 259 . 1 1 55 55 SER CB C 13 63.939 0.272 . 1 . . . . 55 SER CB . 16166 1 260 . 1 1 55 55 SER N N 15 116.713 0.098 . 1 . . . . 55 SER N . 16166 1 261 . 1 1 56 56 TYR H H 1 8.192 0.007 . 1 . . . . 56 TYR H . 16166 1 262 . 1 1 56 56 TYR C C 13 175.989 0.107 . 1 . . . . 56 TYR CO . 16166 1 263 . 1 1 56 56 TYR CA C 13 58.064 0.272 . 1 . . . . 56 TYR CA . 16166 1 264 . 1 1 56 56 TYR CB C 13 38.648 0.272 . 1 . . . . 56 TYR CB . 16166 1 265 . 1 1 56 56 TYR N N 15 122.269 0.098 . 1 . . . . 56 TYR N . 16166 1 266 . 1 1 57 57 SER H H 1 8.195 0.007 . 1 . . . . 57 SER H . 16166 1 267 . 1 1 57 57 SER C C 13 174.254 0.107 . 1 . . . . 57 SER CO . 16166 1 268 . 1 1 57 57 SER CA C 13 58.319 0.272 . 1 . . . . 57 SER CA . 16166 1 269 . 1 1 57 57 SER CB C 13 63.939 0.272 . 1 . . . . 57 SER CB . 16166 1 270 . 1 1 57 57 SER N N 15 117.336 0.098 . 1 . . . . 57 SER N . 16166 1 271 . 1 1 58 58 SER H H 1 8.260 0.007 . 1 . . . . 58 SER H . 16166 1 272 . 1 1 58 58 SER C C 13 174.066 0.107 . 1 . . . . 58 SER CO . 16166 1 273 . 1 1 58 58 SER CA C 13 58.319 0.272 . 1 . . . . 58 SER CA . 16166 1 274 . 1 1 58 58 SER CB C 13 63.939 0.272 . 1 . . . . 58 SER CB . 16166 1 275 . 1 1 58 58 SER N N 15 117.915 0.098 . 1 . . . . 58 SER N . 16166 1 276 . 1 1 59 59 MET H H 1 8.288 0.007 . 1 . . . . 59 MET H . 16166 1 277 . 1 1 59 59 MET C C 13 173.762 0.107 . 1 . . . . 59 MET CO . 16166 1 278 . 1 1 59 59 MET CA C 13 53.465 0.272 . 1 . . . . 59 MET CA . 16166 1 279 . 1 1 59 59 MET CB C 13 32.517 0.272 . 1 . . . . 59 MET CB . 16166 1 280 . 1 1 59 59 MET N N 15 123.371 0.098 . 1 . . . . 59 MET N . 16166 1 281 . 1 1 61 61 PRO C C 13 176.926 0.107 . 1 . . . . 61 PRO CO . 16166 1 282 . 1 1 61 61 PRO CA C 13 62.917 0.272 . 1 . . . . 61 PRO CA . 16166 1 283 . 1 1 61 61 PRO CB C 13 32.006 0.272 . 1 . . . . 61 PRO CB . 16166 1 284 . 1 1 62 62 LEU H H 1 8.370 0.007 . 1 . . . . 62 LEU H . 16166 1 285 . 1 1 62 62 LEU C C 13 177.536 0.107 . 1 . . . . 62 LEU CO . 16166 1 286 . 1 1 62 62 LEU CA C 13 55.253 0.272 . 1 . . . . 62 LEU CA . 16166 1 287 . 1 1 62 62 LEU CB C 13 42.480 0.272 . 1 . . . . 62 LEU CB . 16166 1 288 . 1 1 62 62 LEU N N 15 122.880 0.098 . 1 . . . . 62 LEU N . 16166 1 289 . 1 1 63 63 GLU H H 1 8.451 0.007 . 1 . . . . 63 GLU H . 16166 1 290 . 1 1 63 63 GLU C C 13 176.715 0.107 . 1 . . . . 63 GLU CO . 16166 1 291 . 1 1 63 63 GLU CA C 13 56.531 0.272 . 1 . . . . 63 GLU CA . 16166 1 292 . 1 1 63 63 GLU CB C 13 30.473 0.272 . 1 . . . . 63 GLU CB . 16166 1 293 . 1 1 63 63 GLU N N 15 122.045 0.098 . 1 . . . . 63 GLU N . 16166 1 294 . 1 1 64 64 GLY H H 1 8.370 0.007 . 1 . . . . 64 GLY H . 16166 1 295 . 1 1 64 64 GLY C C 13 173.598 0.107 . 1 . . . . 64 GLY CO . 16166 1 296 . 1 1 64 64 GLY CA C 13 45.035 0.272 . 1 . . . . 64 GLY CA . 16166 1 297 . 1 1 64 64 GLY N N 15 110.151 0.098 . 1 . . . . 64 GLY N . 16166 1 298 . 1 1 65 65 GLU H H 1 8.315 0.007 . 1 . . . . 65 GLU H . 16166 1 299 . 1 1 65 65 GLU C C 13 174.910 0.107 . 1 . . . . 65 GLU CO . 16166 1 300 . 1 1 65 65 GLU CA C 13 54.232 0.272 . 1 . . . . 65 GLU CA . 16166 1 301 . 1 1 65 65 GLU CB C 13 29.706 0.272 . 1 . . . . 65 GLU CB . 16166 1 302 . 1 1 65 65 GLU N N 15 121.679 0.098 . 1 . . . . 65 GLU N . 16166 1 303 . 1 1 66 66 PRO C C 13 177.489 0.107 . 1 . . . . 66 PRO CO . 16166 1 304 . 1 1 66 66 PRO CA C 13 63.684 0.272 . 1 . . . . 66 PRO CA . 16166 1 305 . 1 1 66 66 PRO CB C 13 32.006 0.272 . 1 . . . . 66 PRO CB . 16166 1 306 . 1 1 67 67 GLY H H 1 8.410 0.007 . 1 . . . . 67 GLY H . 16166 1 307 . 1 1 67 67 GLY C C 13 173.504 0.107 . 1 . . . . 67 GLY CO . 16166 1 308 . 1 1 67 67 GLY CA C 13 44.779 0.272 . 1 . . . . 67 GLY CA . 16166 1 309 . 1 1 67 67 GLY N N 15 109.122 0.098 . 1 . . . . 67 GLY N . 16166 1 310 . 1 1 68 68 ASP H H 1 8.240 0.007 . 1 . . . . 68 ASP H . 16166 1 311 . 1 1 68 68 ASP C C 13 174.957 0.107 . 1 . . . . 68 ASP CO . 16166 1 312 . 1 1 68 68 ASP CA C 13 52.443 0.272 . 1 . . . . 68 ASP CA . 16166 1 313 . 1 1 68 68 ASP CB C 13 40.947 0.272 . 1 . . . . 68 ASP CB . 16166 1 314 . 1 1 68 68 ASP N N 15 121.866 0.098 . 1 . . . . 68 ASP N . 16166 1 315 . 1 1 69 69 PRO C C 13 176.786 0.107 . 1 . . . . 69 PRO CO . 16166 1 316 . 1 1 69 69 PRO CA C 13 63.428 0.272 . 1 . . . . 69 PRO CA . 16166 1 317 . 1 1 69 69 PRO CB C 13 32.133 0.272 . 1 . . . . 69 PRO CB . 16166 1 318 . 1 1 70 70 ASP H H 1 8.465 0.007 . 1 . . . . 70 ASP H . 16166 1 319 . 1 1 70 70 ASP C C 13 176.551 0.107 . 1 . . . . 70 ASP CO . 16166 1 320 . 1 1 70 70 ASP CA C 13 54.487 0.272 . 1 . . . . 70 ASP CA . 16166 1 321 . 1 1 70 70 ASP CB C 13 40.947 0.272 . 1 . . . . 70 ASP CB . 16166 1 322 . 1 1 70 70 ASP N N 15 119.942 0.098 . 1 . . . . 70 ASP N . 16166 1 323 . 1 1 71 71 LEU H H 1 8.124 0.007 . 1 . . . . 71 LEU H . 16166 1 324 . 1 1 71 71 LEU C C 13 177.724 0.107 . 1 . . . . 71 LEU CO . 16166 1 325 . 1 1 71 71 LEU CA C 13 54.998 0.272 . 1 . . . . 71 LEU CA . 16166 1 326 . 1 1 71 71 LEU CB C 13 41.969 0.272 . 1 . . . . 71 LEU CB . 16166 1 327 . 1 1 71 71 LEU N N 15 123.124 0.098 . 1 . . . . 71 LEU N . 16166 1 328 . 1 1 72 72 SER H H 1 8.329 0.007 . 1 . . . . 72 SER H . 16166 1 329 . 1 1 72 72 SER C C 13 174.582 0.107 . 1 . . . . 72 SER CO . 16166 1 330 . 1 1 72 72 SER CA C 13 58.830 0.272 . 1 . . . . 72 SER CA . 16166 1 331 . 1 1 72 72 SER CB C 13 63.939 0.272 . 1 . . . . 72 SER CB . 16166 1 332 . 1 1 72 72 SER N N 15 116.565 0.098 . 1 . . . . 72 SER N . 16166 1 333 . 1 1 73 73 ASP H H 1 8.315 0.007 . 1 . . . . 73 ASP H . 16166 1 334 . 1 1 73 73 ASP C C 13 176.973 0.107 . 1 . . . . 73 ASP CO . 16166 1 335 . 1 1 73 73 ASP CA C 13 54.487 0.272 . 1 . . . . 73 ASP CA . 16166 1 336 . 1 1 73 73 ASP CB C 13 41.203 0.272 . 1 . . . . 73 ASP CB . 16166 1 337 . 1 1 73 73 ASP N N 15 122.291 0.098 . 1 . . . . 73 ASP N . 16166 1 338 . 1 1 74 74 GLY H H 1 8.315 0.007 . 1 . . . . 74 GLY H . 16166 1 339 . 1 1 74 74 GLY C C 13 174.676 0.107 . 1 . . . . 74 GLY CO . 16166 1 340 . 1 1 74 74 GLY CA C 13 45.546 0.272 . 1 . . . . 74 GLY CA . 16166 1 341 . 1 1 74 74 GLY N N 15 109.441 0.098 . 1 . . . . 74 GLY N . 16166 1 342 . 1 1 75 75 SER H H 1 8.220 0.007 . 1 . . . . 75 SER H . 16166 1 343 . 1 1 75 75 SER C C 13 174.464 0.107 . 1 . . . . 75 SER CO . 16166 1 344 . 1 1 75 75 SER CA C 13 59.085 0.272 . 1 . . . . 75 SER CA . 16166 1 345 . 1 1 75 75 SER CB C 13 63.684 0.272 . 1 . . . . 75 SER CB . 16166 1 346 . 1 1 75 75 SER N N 15 115.925 0.098 . 1 . . . . 75 SER N . 16166 1 347 . 1 1 76 76 TRP H H 1 8.056 0.007 . 1 . . . . 76 TRP H . 16166 1 348 . 1 1 76 76 TRP C C 13 176.223 0.107 . 1 . . . . 76 TRP CO . 16166 1 349 . 1 1 76 76 TRP CA C 13 57.297 0.272 . 1 . . . . 76 TRP CA . 16166 1 350 . 1 1 76 76 TRP CB C 13 29.451 0.272 . 1 . . . . 76 TRP CB . 16166 1 351 . 1 1 76 76 TRP N N 15 122.359 0.098 . 1 . . . . 76 TRP N . 16166 1 352 . 1 1 77 77 SER H H 1 8.036 0.007 . 1 . . . . 77 SER H . 16166 1 353 . 1 1 77 77 SER C C 13 174.488 0.107 . 1 . . . . 77 SER CO . 16166 1 354 . 1 1 77 77 SER CA C 13 58.319 0.272 . 1 . . . . 77 SER CA . 16166 1 355 . 1 1 77 77 SER CB C 13 63.939 0.272 . 1 . . . . 77 SER CB . 16166 1 356 . 1 1 77 77 SER N N 15 117.022 0.098 . 1 . . . . 77 SER N . 16166 1 357 . 1 1 78 78 THR H H 1 8.124 0.007 . 1 . . . . 78 THR H . 16166 1 358 . 1 1 78 78 THR C C 13 174.535 0.107 . 1 . . . . 78 THR CO . 16166 1 359 . 1 1 78 78 THR CA C 13 61.896 0.272 . 1 . . . . 78 THR CA . 16166 1 360 . 1 1 78 78 THR CB C 13 69.815 0.272 . 1 . . . . 78 THR CB . 16166 1 361 . 1 1 78 78 THR N N 15 116.154 0.098 . 1 . . . . 78 THR N . 16166 1 362 . 1 1 79 79 VAL H H 1 8.124 0.007 . 1 . . . . 79 VAL H . 16166 1 363 . 1 1 79 79 VAL C C 13 176.129 0.107 . 1 . . . . 79 VAL CO . 16166 1 364 . 1 1 79 79 VAL CA C 13 62.407 0.272 . 1 . . . . 79 VAL CA . 16166 1 365 . 1 1 79 79 VAL CB C 13 32.772 0.272 . 1 . . . . 79 VAL CB . 16166 1 366 . 1 1 79 79 VAL N N 15 122.413 0.098 . 1 . . . . 79 VAL N . 16166 1 367 . 1 1 80 80 SER H H 1 8.410 0.007 . 1 . . . . 80 SER H . 16166 1 368 . 1 1 80 80 SER C C 13 174.606 0.107 . 1 . . . . 80 SER CO . 16166 1 369 . 1 1 80 80 SER CA C 13 58.319 0.272 . 1 . . . . 80 SER CA . 16166 1 370 . 1 1 80 80 SER CB C 13 63.939 0.272 . 1 . . . . 80 SER CB . 16166 1 371 . 1 1 80 80 SER N N 15 119.942 0.098 . 1 . . . . 80 SER N . 16166 1 372 . 1 1 81 81 GLU H H 1 8.547 0.007 . 1 . . . . 81 GLU H . 16166 1 373 . 1 1 81 81 GLU C C 13 176.223 0.107 . 1 . . . . 81 GLU CO . 16166 1 374 . 1 1 81 81 GLU CA C 13 56.786 0.272 . 1 . . . . 81 GLU CA . 16166 1 375 . 1 1 81 81 GLU CB C 13 30.345 0.272 . 1 . . . . 81 GLU CB . 16166 1 376 . 1 1 81 81 GLU N N 15 123.467 0.098 . 1 . . . . 81 GLU N . 16166 1 377 . 1 1 82 82 GLU H H 1 8.424 0.007 . 1 . . . . 82 GLU H . 16166 1 378 . 1 1 82 82 GLU C C 13 176.223 0.107 . 1 . . . . 82 GLU CO . 16166 1 379 . 1 1 82 82 GLU CA C 13 56.531 0.272 . 1 . . . . 82 GLU CA . 16166 1 380 . 1 1 82 82 GLU CB C 13 30.217 0.272 . 1 . . . . 82 GLU CB . 16166 1 381 . 1 1 82 82 GLU N N 15 121.826 0.098 . 1 . . . . 82 GLU N . 16166 1 382 . 1 1 83 83 ALA H H 1 8.356 0.007 . 1 . . . . 83 ALA H . 16166 1 383 . 1 1 83 83 ALA C C 13 177.701 0.107 . 1 . . . . 83 ALA CO . 16166 1 384 . 1 1 83 83 ALA CA C 13 52.443 0.272 . 1 . . . . 83 ALA CA . 16166 1 385 . 1 1 83 83 ALA CB C 13 19.232 0.272 . 1 . . . . 83 ALA CB . 16166 1 386 . 1 1 83 83 ALA N N 15 125.501 0.098 . 1 . . . . 83 ALA N . 16166 1 387 . 1 1 84 84 SER H H 1 8.288 0.007 . 1 . . . . 84 SER H . 16166 1 388 . 1 1 84 84 SER C C 13 174.863 0.107 . 1 . . . . 84 SER CO . 16166 1 389 . 1 1 84 84 SER CA C 13 58.575 0.272 . 1 . . . . 84 SER CA . 16166 1 390 . 1 1 84 84 SER CB C 13 63.939 0.272 . 1 . . . . 84 SER CB . 16166 1 391 . 1 1 84 84 SER N N 15 115.634 0.098 . 1 . . . . 84 SER N . 16166 1 392 . 1 1 85 85 GLU H H 1 8.547 0.007 . 1 . . . . 85 GLU H . 16166 1 393 . 1 1 85 85 GLU C C 13 176.317 0.107 . 1 . . . . 85 GLU CO . 16166 1 394 . 1 1 85 85 GLU CA C 13 57.042 0.272 . 1 . . . . 85 GLU CA . 16166 1 395 . 1 1 85 85 GLU CB C 13 30.217 0.272 . 1 . . . . 85 GLU CB . 16166 1 396 . 1 1 85 85 GLU N N 15 122.685 0.098 . 1 . . . . 85 GLU N . 16166 1 397 . 1 1 86 86 ASP H H 1 8.356 0.007 . 1 . . . . 86 ASP H . 16166 1 398 . 1 1 86 86 ASP C C 13 176.551 0.107 . 1 . . . . 86 ASP CO . 16166 1 399 . 1 1 86 86 ASP CA C 13 54.742 0.272 . 1 . . . . 86 ASP CA . 16166 1 400 . 1 1 86 86 ASP CB C 13 41.203 0.272 . 1 . . . . 86 ASP CB . 16166 1 401 . 1 1 86 86 ASP N N 15 120.919 0.098 . 1 . . . . 86 ASP N . 16166 1 402 . 1 1 87 87 VAL H H 1 7.974 0.007 . 1 . . . . 87 VAL H . 16166 1 403 . 1 1 87 87 VAL C C 13 176.504 0.107 . 1 . . . . 87 VAL CO . 16166 1 404 . 1 1 87 87 VAL CA C 13 63.173 0.272 . 1 . . . . 87 VAL CA . 16166 1 405 . 1 1 87 87 VAL CB C 13 32.517 0.272 . 1 . . . . 87 VAL CB . 16166 1 406 . 1 1 87 87 VAL N N 15 120.432 0.098 . 1 . . . . 87 VAL N . 16166 1 407 . 1 1 88 88 VAL H H 1 8.138 0.007 . 1 . . . . 88 VAL H . 16166 1 408 . 1 1 88 88 VAL C C 13 176.598 0.107 . 1 . . . . 88 VAL CO . 16166 1 409 . 1 1 88 88 VAL CA C 13 63.173 0.272 . 1 . . . . 88 VAL CA . 16166 1 410 . 1 1 88 88 VAL CB C 13 32.261 0.272 . 1 . . . . 88 VAL CB . 16166 1 411 . 1 1 88 88 VAL N N 15 123.493 0.098 . 1 . . . . 88 VAL N . 16166 1 412 . 1 1 89 89 LEU H H 1 8.198 0.007 . 1 . . . . 89 LEU H . 16166 1 413 . 1 1 89 89 LEU C C 13 177.442 0.107 . 1 . . . . 89 LEU CO . 16166 1 414 . 1 1 89 89 LEU CA C 13 55.509 0.272 . 1 . . . . 89 LEU CA . 16166 1 415 . 1 1 89 89 LEU CB C 13 42.224 0.272 . 1 . . . . 89 LEU CB . 16166 1 416 . 1 1 89 89 LEU N N 15 124.759 0.098 . 1 . . . . 89 LEU N . 16166 1 417 . 1 1 90 90 GLN H H 1 8.193 0.007 . 1 . . . . 90 GLN H . 16166 1 418 . 1 1 90 90 GLN C C 13 175.895 0.107 . 1 . . . . 90 GLN CO . 16166 1 419 . 1 1 90 90 GLN CA C 13 56.020 0.272 . 1 . . . . 90 GLN CA . 16166 1 420 . 1 1 90 90 GLN CB C 13 29.195 0.272 . 1 . . . . 90 GLN CB . 16166 1 421 . 1 1 90 90 GLN N N 15 119.962 0.098 . 1 . . . . 90 GLN N . 16166 1 stop_ save_