data_5978 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5978 _Entry.Title ; Structure and function of the membrane domain of hepatitis C virus nonstructural protein 5A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-10-20 _Entry.Accession_date 2003-10-20 _Entry.Last_release_date 2004-07-30 _Entry.Original_release_date 2004-07-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Stephanie Ramboarina . . . 5978 2 Volker Brass . . . 5978 3 Nicole Krieger . . . 5978 4 Roland Montserret . . . 5978 5 Damien Ficheux . . . 5978 6 Hubert Blum . E. . 5978 7 Ralf Bartenschlager . . . 5978 8 Francois Penin . . . 5978 9 Darius Moradpour . . . 5978 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 5978 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 718 5978 '13C chemical shifts' 221 5978 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 . . 2004-07-30 2003-10-20 original author . 5978 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5978 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15247283 _Citation.Full_citation . _Citation.Title ; Structure and function of the membrane anchor domain of hepatitis C virus nonstructural protein 5A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 279 _Citation.Journal_issue 39 _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 40835 _Citation.Page_last 40843 _Citation.Year 2004 _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 Francois Penin . . . 5978 1 2 Volker Brass . . . 5978 1 3 Nicole Appel . . . 5978 1 4 Stephanie Ramboarina . . . 5978 1 5 Roland Montserret . . . 5978 1 6 Damien Ficheux . . . 5978 1 7 Hubert Blum . E. . 5978 1 8 Ralf Bartenschlager . . . 5978 1 9 Darius Moradpour . . . 5978 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'membrane anchor domain' 5978 1 'hepatitis C virus NS5A protein' 5978 1 'peptide strucrure' 5978 1 'NMR spectroscopy' 5978 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NS5AN _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NS5AN _Assembly.Entry_ID 5978 _Assembly.ID 1 _Assembly.Name 'HCV NS5A N-terminal' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5978 1 stop_ 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, 1-31' 1 $NS5A . . . native . . . . . 5978 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1R7C . . . . . . 5978 1 . PDB 1R7D . . . . . . 5978 1 . PDB 1R7E . . . . . . 5978 1 . PDB 1R7F . . . . . . 5978 1 . PDB 1R7G . . . . . . 5978 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HCV NS5A N-terminal' system 5978 1 NS5AN abbreviation 5978 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NS5A _Entity.Sf_category entity _Entity.Sf_framecode NS5A _Entity.Entry_ID 5978 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HCV NS5A N-terminal' _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 ; SGSWLRDIWDWICEVLSDFK TWLKAKLMPQL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 31 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3764 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1R7C . "Nmr Structure Of The Membrane Anchor Domain (1-31) Of The Nonstructural Protein 5a (Ns5a) Of Hepatitis C Virus (Minimized Avera" . . . . . 100.00 31 100.00 100.00 2.28e-12 . . . . 5978 1 2 no PDB 1R7D . "Nmr Structure Of The Membrane Anchor Domain (1-31) Of The Nonstructural Protein 5a (Ns5a) Of Hepatitis C Virus (Ensemble Of 51 " . . . . . 100.00 31 100.00 100.00 2.28e-12 . . . . 5978 1 3 no PDB 1R7E . "Nmr Structure Of The Membrane Anchor Domain (1-31) Of The Nonstructural Protein 5a (Ns5a) Of Hepatitis C Virus (Minimized Avera" . . . . . 100.00 31 100.00 100.00 2.28e-12 . . . . 5978 1 4 no PDB 1R7F . "Nmr Structure Of The Membrane Anchor Domain (1-31) Of The Nonstructural Protein 5a (Ns5a) Of Hepatitis C Virus (Ensemble Of 43 " . . . . . 100.00 31 100.00 100.00 2.28e-12 . . . . 5978 1 5 no PDB 1R7G . "Nmr Structure Of The Membrane Anchor Domain (1-31) Of The Nonstructural Protein 5a (Ns5a) Of Hepatitis C Virus (Minimized Avera" . . . . . 100.00 31 100.00 100.00 2.28e-12 . . . . 5978 1 6 no DBJ BAI23205 . "polyprotein [Hepatitis C virus subtype 1a]" . . . . . 100.00 3011 100.00 100.00 4.25e-13 . . . . 5978 1 7 no EMBL CAC03609 . "unnamed protein product [Hepatitis C virus]" . . . . . 100.00 3011 100.00 100.00 4.01e-13 . . . . 5978 1 8 no EMBL CAL46810 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 448 100.00 100.00 2.99e-13 . . . . 5978 1 9 no EMBL CAM82857 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 448 100.00 100.00 3.79e-13 . . . . 5978 1 10 no EMBL CAM82858 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 448 100.00 100.00 3.79e-13 . . . . 5978 1 11 no EMBL CAM82860 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 448 100.00 100.00 3.57e-13 . . . . 5978 1 12 no GB AAA45534 . "polyprotein [Hepatitis C virus subtype 1a]" . . . . . 100.00 3011 100.00 100.00 3.65e-13 . . . . 5978 1 13 no GB AAA45676 . "polyprotein [Hepatitis C virus subtype 1a]" . . . . . 100.00 3011 100.00 100.00 4.05e-13 . . . . 5978 1 14 no GB AAA45677 . "polyprotein, partial [Hepatitis C virus]" . . . . . 100.00 2436 100.00 100.00 2.90e-13 . . . . 5978 1 15 no GB AAA86588 . "polyprotein, partial [Hepatitis C virus]" . . . . . 87.10 275 100.00 100.00 2.06e-10 . . . . 5978 1 16 no GB AAA86589 . "polyprotein, partial [Hepatitis C virus]" . . . . . 87.10 275 100.00 100.00 2.27e-10 . . . . 5978 1 17 no REF NP_671491 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 3011 100.00 100.00 4.05e-13 . . . . 5978 1 18 no REF NP_751927 . "NS5A protein [Hepatitis C virus]" . . . . . 100.00 448 100.00 100.00 3.33e-13 . . . . 5978 1 19 no SP P26664 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 3011 100.00 100.00 4.05e-13 . . . . 5978 1 20 no SP P27958 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 3011 100.00 100.00 3.65e-13 . . . . 5978 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HCV NS5A N-terminal' common 5978 1 NS5A(1-31) abbreviation 5978 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 . 5978 1 2 . GLY . 5978 1 3 . SER . 5978 1 4 . TRP . 5978 1 5 . LEU . 5978 1 6 . ARG . 5978 1 7 . ASP . 5978 1 8 . ILE . 5978 1 9 . TRP . 5978 1 10 . ASP . 5978 1 11 . TRP . 5978 1 12 . ILE . 5978 1 13 . CYS . 5978 1 14 . GLU . 5978 1 15 . VAL . 5978 1 16 . LEU . 5978 1 17 . SER . 5978 1 18 . ASP . 5978 1 19 . PHE . 5978 1 20 . LYS . 5978 1 21 . THR . 5978 1 22 . TRP . 5978 1 23 . LEU . 5978 1 24 . LYS . 5978 1 25 . ALA . 5978 1 26 . LYS . 5978 1 27 . LEU . 5978 1 28 . MET . 5978 1 29 . PRO . 5978 1 30 . GLN . 5978 1 31 . LEU . 5978 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 5978 1 . GLY 2 2 5978 1 . SER 3 3 5978 1 . TRP 4 4 5978 1 . LEU 5 5 5978 1 . ARG 6 6 5978 1 . ASP 7 7 5978 1 . ILE 8 8 5978 1 . TRP 9 9 5978 1 . ASP 10 10 5978 1 . TRP 11 11 5978 1 . ILE 12 12 5978 1 . CYS 13 13 5978 1 . GLU 14 14 5978 1 . VAL 15 15 5978 1 . LEU 16 16 5978 1 . SER 17 17 5978 1 . ASP 18 18 5978 1 . PHE 19 19 5978 1 . LYS 20 20 5978 1 . THR 21 21 5978 1 . TRP 22 22 5978 1 . LEU 23 23 5978 1 . LYS 24 24 5978 1 . ALA 25 25 5978 1 . LYS 26 26 5978 1 . LEU 27 27 5978 1 . MET 28 28 5978 1 . PRO 29 29 5978 1 . GLN 30 30 5978 1 . LEU 31 31 5978 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 5978 _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 $NS5A . 11103 . . 'Hepacivirus Hepatitis C virus' 'Hepatitis C virus' . . Viruses . Hepacivirus 'Hepatitis C virus' . . . . . . . . . . . . . . . . . . 'The family of this virus is Flaviviridae.' . . 5978 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 5978 _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 $NS5A . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5978 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_tfe _Sample.Sf_category sample _Sample.Sf_framecode Sample_tfe _Sample.Entry_ID 5978 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 NS5A N-terminal' . . . 1 $NS5A . . 1.2 . . mM . . . . 5978 1 2 DTT [U-2H] . . . . . . 10 . . mM . . . . 5978 1 3 'trifluoroethanol-d2 (CF3CD2OH)' . . . . . . . 50 . . '% v/v' . . . . 5978 1 4 H2O . . . . . . . 50 . . '% v/v' . . . . 5978 1 stop_ save_ save_Sample_sds _Sample.Sf_category sample _Sample.Sf_framecode Sample_sds _Sample.Entry_ID 5978 _Sample.ID 2 _Sample.Type b_micelles _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 NS5A N-terminal' . . . 1 $NS5A . . 1.2 1 2 mM . . . . 5978 2 2 DTT [U-2H] . . . . . . 10 . . mM . . . . 5978 2 3 'sodium dodecyl sulfate' [U-2H] . . . . . . 100 . . mM . . . . 5978 2 stop_ save_ save_Sample_dpc _Sample.Sf_category sample _Sample.Sf_framecode Sample_dpc _Sample.Entry_ID 5978 _Sample.ID 3 _Sample.Type c_micelles _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 NS5A N-terminal' . . . 1 $NS5A . . 1.2 1 2 mM . . . . 5978 3 2 DTT [U-2H] . . . . . . 10 . . mM . . . . 5978 3 3 dodecylphosphocholine [U-2H] . . . . . . 100 . . mM . . . . 5978 3 stop_ save_ ####################### # Sample conditions # ####################### save_condition_tfe _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_tfe _Sample_condition_list.Entry_ID 5978 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 0.5 n/a 5978 1 temperature 293 1 K 5978 1 stop_ save_ save_condition_sds _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_sds _Sample_condition_list.Entry_ID 5978 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.5 n/a 5978 2 temperature 313 1 K 5978 2 stop_ save_ save_condition_dpc _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_dpc _Sample_condition_list.Entry_ID 5978 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.5 n/a 5978 3 temperature 313 1 K 5978 3 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5978 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5978 1 assigments 5978 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5978 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5978 _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 NMR_spectrometer Varian UnityPlus . 500 . . . 5978 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 5978 _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 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5978 1 2 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5978 1 3 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5978 1 4 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5978 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5978 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5978 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5978 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5978 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5978 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5978 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5978 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 5978 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_tfe _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $Sample_tfe . 5978 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.28 0.01 . 1 . . . . . . . . 5978 1 2 . 1 1 1 1 SER HB2 H 1 4.11 0.01 . 1 . . . . . . . . 5978 1 3 . 1 1 1 1 SER HB3 H 1 4.11 0.01 . 1 . . . . . . . . 5978 1 4 . 1 1 1 1 SER CA C 13 58.53 0.02 . 1 . . . . . . . . 5978 1 5 . 1 1 1 1 SER CB C 13 64.04 0.02 . 1 . . . . . . . . 5978 1 6 . 1 1 2 2 GLY H H 1 8.74 0.01 . 1 . . . . . . . . 5978 1 7 . 1 1 2 2 GLY HA2 H 1 4.05 0.01 . 1 . . . . . . . . 5978 1 8 . 1 1 2 2 GLY HA3 H 1 4.05 0.01 . 1 . . . . . . . . 5978 1 9 . 1 1 2 2 GLY CA C 13 46.38 0.02 . 1 . . . . . . . . 5978 1 10 . 1 1 3 3 SER H H 1 8.25 0.01 . 1 . . . . . . . . 5978 1 11 . 1 1 3 3 SER HA H 1 4.52 0.01 . 1 . . . . . . . . 5978 1 12 . 1 1 3 3 SER HB2 H 1 4.01 0.01 . 2 . . . . . . . . 5978 1 13 . 1 1 3 3 SER HB3 H 1 3.88 0.01 . 2 . . . . . . . . 5978 1 14 . 1 1 3 3 SER CA C 13 59.40 0.02 . 1 . . . . . . . . 5978 1 15 . 1 1 3 3 SER CB C 13 64.66 0.02 . 1 . . . . . . . . 5978 1 16 . 1 1 4 4 TRP H H 1 8.05 0.01 . 1 . . . . . . . . 5978 1 17 . 1 1 4 4 TRP HA H 1 4.63 0.01 . 1 . . . . . . . . 5978 1 18 . 1 1 4 4 TRP HB2 H 1 3.45 0.01 . 2 . . . . . . . . 5978 1 19 . 1 1 4 4 TRP HB3 H 1 3.37 0.01 . 2 . . . . . . . . 5978 1 20 . 1 1 4 4 TRP HD1 H 1 7.35 0.01 . 1 . . . . . . . . 5978 1 21 . 1 1 4 4 TRP HE1 H 1 9.84 0.01 . 1 . . . . . . . . 5978 1 22 . 1 1 4 4 TRP HE3 H 1 7.59 0.01 . 1 . . . . . . . . 5978 1 23 . 1 1 4 4 TRP HZ2 H 1 7.48 0.01 . 1 . . . . . . . . 5978 1 24 . 1 1 4 4 TRP HZ3 H 1 7.15 0.01 . 1 . . . . . . . . 5978 1 25 . 1 1 4 4 TRP HH2 H 1 7.25 0.01 . 1 . . . . . . . . 5978 1 26 . 1 1 4 4 TRP CA C 13 60.09 0.02 . 1 . . . . . . . . 5978 1 27 . 1 1 4 4 TRP CB C 13 29.51 0.02 . 1 . . . . . . . . 5978 1 28 . 1 1 4 4 TRP CD1 C 13 127.66 0.02 . 1 . . . . . . . . 5978 1 29 . 1 1 4 4 TRP CE3 C 13 121.50 0.02 . 1 . . . . . . . . 5978 1 30 . 1 1 4 4 TRP CZ2 C 13 115.27 0.02 . 1 . . . . . . . . 5978 1 31 . 1 1 4 4 TRP CZ3 C 13 123.00 0.02 . 1 . . . . . . . . 5978 1 32 . 1 1 4 4 TRP CH2 C 13 125.63 0.02 . 1 . . . . . . . . 5978 1 33 . 1 1 5 5 LEU H H 1 7.27 0.01 . 1 . . . . . . . . 5978 1 34 . 1 1 5 5 LEU HA H 1 3.98 0.01 . 1 . . . . . . . . 5978 1 35 . 1 1 5 5 LEU HB2 H 1 1.40 0.01 . 2 . . . . . . . . 5978 1 36 . 1 1 5 5 LEU HB3 H 1 1.25 0.01 . 2 . . . . . . . . 5978 1 37 . 1 1 5 5 LEU HG H 1 1.27 0.01 . 1 . . . . . . . . 5978 1 38 . 1 1 5 5 LEU HD11 H 1 0.88 0.01 . 2 . . . . . . . . 5978 1 39 . 1 1 5 5 LEU HD12 H 1 0.88 0.01 . 2 . . . . . . . . 5978 1 40 . 1 1 5 5 LEU HD13 H 1 0.88 0.01 . 2 . . . . . . . . 5978 1 41 . 1 1 5 5 LEU HD21 H 1 0.78 0.01 . 2 . . . . . . . . 5978 1 42 . 1 1 5 5 LEU HD22 H 1 0.78 0.01 . 2 . . . . . . . . 5978 1 43 . 1 1 5 5 LEU HD23 H 1 0.78 0.01 . 2 . . . . . . . . 5978 1 44 . 1 1 5 5 LEU CA C 13 58.49 0.02 . 1 . . . . . . . . 5978 1 45 . 1 1 5 5 LEU CB C 13 42.59 0.02 . 1 . . . . . . . . 5978 1 46 . 1 1 5 5 LEU CG C 13 27.73 0.02 . 1 . . . . . . . . 5978 1 47 . 1 1 5 5 LEU CD2 C 13 24.52 0.02 . 1 . . . . . . . . 5978 1 48 . 1 1 6 6 ARG H H 1 7.53 0.01 . 1 . . . . . . . . 5978 1 49 . 1 1 6 6 ARG HA H 1 4.14 0.01 . 1 . . . . . . . . 5978 1 50 . 1 1 6 6 ARG HB2 H 1 2.00 0.01 . 2 . . . . . . . . 5978 1 51 . 1 1 6 6 ARG HB3 H 1 1.89 0.01 . 2 . . . . . . . . 5978 1 52 . 1 1 6 6 ARG HG2 H 1 1.80 0.01 . 1 . . . . . . . . 5978 1 53 . 1 1 6 6 ARG HG3 H 1 1.80 0.01 . 1 . . . . . . . . 5978 1 54 . 1 1 6 6 ARG HD2 H 1 3.30 0.01 . 1 . . . . . . . . 5978 1 55 . 1 1 6 6 ARG HD3 H 1 3.30 0.01 . 1 . . . . . . . . 5978 1 56 . 1 1 6 6 ARG HE H 1 7.24 0.01 . 1 . . . . . . . . 5978 1 57 . 1 1 6 6 ARG CA C 13 59.37 0.02 . 1 . . . . . . . . 5978 1 58 . 1 1 6 6 ARG CB C 13 30.78 0.02 . 1 . . . . . . . . 5978 1 59 . 1 1 6 6 ARG CG C 13 27.95 0.02 . 1 . . . . . . . . 5978 1 60 . 1 1 6 6 ARG CD C 13 44.20 0.02 . 1 . . . . . . . . 5978 1 61 . 1 1 7 7 ASP H H 1 8.03 0.01 . 1 . . . . . . . . 5978 1 62 . 1 1 7 7 ASP HA H 1 4.59 0.01 . 1 . . . . . . . . 5978 1 63 . 1 1 7 7 ASP HB2 H 1 3.19 0.01 . 2 . . . . . . . . 5978 1 64 . 1 1 7 7 ASP HB3 H 1 2.89 0.01 . 2 . . . . . . . . 5978 1 65 . 1 1 7 7 ASP CA C 13 57.09 0.02 . 1 . . . . . . . . 5978 1 66 . 1 1 7 7 ASP CB C 13 38.94 0.02 . 1 . . . . . . . . 5978 1 67 . 1 1 8 8 ILE H H 1 8.05 0.01 . 1 . . . . . . . . 5978 1 68 . 1 1 8 8 ILE HA H 1 4.07 0.01 . 1 . . . . . . . . 5978 1 69 . 1 1 8 8 ILE HB H 1 2.05 0.01 . 1 . . . . . . . . 5978 1 70 . 1 1 8 8 ILE HG12 H 1 1.71 0.01 . 2 . . . . . . . . 5978 1 71 . 1 1 8 8 ILE HG13 H 1 1.27 0.01 . 2 . . . . . . . . 5978 1 72 . 1 1 8 8 ILE HG21 H 1 1.05 0.01 . 1 . . . . . . . . 5978 1 73 . 1 1 8 8 ILE HG22 H 1 1.05 0.01 . 1 . . . . . . . . 5978 1 74 . 1 1 8 8 ILE HG23 H 1 1.05 0.01 . 1 . . . . . . . . 5978 1 75 . 1 1 8 8 ILE HD11 H 1 0.93 0.01 . 1 . . . . . . . . 5978 1 76 . 1 1 8 8 ILE HD12 H 1 0.93 0.01 . 1 . . . . . . . . 5978 1 77 . 1 1 8 8 ILE HD13 H 1 0.93 0.01 . 1 . . . . . . . . 5978 1 78 . 1 1 8 8 ILE CA C 13 65.49 0.02 . 1 . . . . . . . . 5978 1 79 . 1 1 8 8 ILE CB C 13 38.86 0.02 . 1 . . . . . . . . 5978 1 80 . 1 1 8 8 ILE CG1 C 13 29.39 0.02 . 1 . . . . . . . . 5978 1 81 . 1 1 8 8 ILE CG2 C 13 17.70 0.02 . 1 . . . . . . . . 5978 1 82 . 1 1 8 8 ILE CD1 C 13 13.28 0.02 . 1 . . . . . . . . 5978 1 83 . 1 1 9 9 TRP H H 1 8.35 0.01 . 1 . . . . . . . . 5978 1 84 . 1 1 9 9 TRP HA H 1 4.58 0.01 . 1 . . . . . . . . 5978 1 85 . 1 1 9 9 TRP HB2 H 1 3.42 0.01 . 1 . . . . . . . . 5978 1 86 . 1 1 9 9 TRP HB3 H 1 3.42 0.01 . 1 . . . . . . . . 5978 1 87 . 1 1 9 9 TRP HD1 H 1 7.19 0.01 . 1 . . . . . . . . 5978 1 88 . 1 1 9 9 TRP HE1 H 1 9.51 0.01 . 1 . . . . . . . . 5978 1 89 . 1 1 9 9 TRP HE3 H 1 7.64 0.01 . 1 . . . . . . . . 5978 1 90 . 1 1 9 9 TRP HZ2 H 1 7.39 0.01 . 1 . . . . . . . . 5978 1 91 . 1 1 9 9 TRP HZ3 H 1 7.11 0.01 . 1 . . . . . . . . 5978 1 92 . 1 1 9 9 TRP HH2 H 1 7.17 0.01 . 1 . . . . . . . . 5978 1 93 . 1 1 9 9 TRP CA C 13 61.21 0.02 . 1 . . . . . . . . 5978 1 94 . 1 1 9 9 TRP CB C 13 30.10 0.02 . 1 . . . . . . . . 5978 1 95 . 1 1 9 9 TRP CD1 C 13 127.15 0.02 . 1 . . . . . . . . 5978 1 96 . 1 1 9 9 TRP CE3 C 13 121.76 0.02 . 1 . . . . . . . . 5978 1 97 . 1 1 9 9 TRP CZ2 C 13 115.20 0.02 . 1 . . . . . . . . 5978 1 98 . 1 1 9 9 TRP CZ3 C 13 122.68 0.02 . 1 . . . . . . . . 5978 1 99 . 1 1 9 9 TRP CH2 C 13 125.13 0.02 . 1 . . . . . . . . 5978 1 100 . 1 1 10 10 ASP H H 1 8.64 0.01 . 1 . . . . . . . . 5978 1 101 . 1 1 10 10 ASP HA H 1 4.36 0.01 . 1 . . . . . . . . 5978 1 102 . 1 1 10 10 ASP HB2 H 1 3.25 0.01 . 2 . . . . . . . . 5978 1 103 . 1 1 10 10 ASP HB3 H 1 2.97 0.01 . 2 . . . . . . . . 5978 1 104 . 1 1 10 10 ASP CA C 13 56.63 0.02 . 1 . . . . . . . . 5978 1 105 . 1 1 10 10 ASP CB C 13 38.94 0.02 . 1 . . . . . . . . 5978 1 106 . 1 1 11 11 TRP H H 1 8.03 0.01 . 1 . . . . . . . . 5978 1 107 . 1 1 11 11 TRP HA H 1 4.49 0.01 . 1 . . . . . . . . 5978 1 108 . 1 1 11 11 TRP HB2 H 1 3.69 0.01 . 2 . . . . . . . . 5978 1 109 . 1 1 11 11 TRP HB3 H 1 3.41 0.01 . 2 . . . . . . . . 5978 1 110 . 1 1 11 11 TRP HD1 H 1 7.14 0.01 . 1 . . . . . . . . 5978 1 111 . 1 1 11 11 TRP HE1 H 1 9.42 0.01 . 1 . . . . . . . . 5978 1 112 . 1 1 11 11 TRP HE3 H 1 7.65 0.01 . 1 . . . . . . . . 5978 1 113 . 1 1 11 11 TRP HZ2 H 1 7.37 0.01 . 1 . . . . . . . . 5978 1 114 . 1 1 11 11 TRP HZ3 H 1 7.06 0.01 . 1 . . . . . . . . 5978 1 115 . 1 1 11 11 TRP HH2 H 1 7.16 0.01 . 1 . . . . . . . . 5978 1 116 . 1 1 11 11 TRP CA C 13 62.00 0.02 . 1 . . . . . . . . 5978 1 117 . 1 1 11 11 TRP CB C 13 29.70 0.02 . 1 . . . . . . . . 5978 1 118 . 1 1 11 11 TRP CD1 C 13 127.01 0.02 . 1 . . . . . . . . 5978 1 119 . 1 1 11 11 TRP CE3 C 13 121.76 0.02 . 1 . . . . . . . . 5978 1 120 . 1 1 11 11 TRP CZ2 C 13 114.90 0.02 . 1 . . . . . . . . 5978 1 121 . 1 1 11 11 TRP CZ3 C 13 122.48 0.02 . 1 . . . . . . . . 5978 1 122 . 1 1 11 11 TRP CH2 C 13 124.99 0.02 . 1 . . . . . . . . 5978 1 123 . 1 1 12 12 ILE H H 1 8.71 0.01 . 1 . . . . . . . . 5978 1 124 . 1 1 12 12 ILE HA H 1 3.35 0.01 . 1 . . . . . . . . 5978 1 125 . 1 1 12 12 ILE HB H 1 1.97 0.01 . 1 . . . . . . . . 5978 1 126 . 1 1 12 12 ILE HG12 H 1 1.21 0.01 . 2 . . . . . . . . 5978 1 127 . 1 1 12 12 ILE HG13 H 1 1.99 0.01 . 2 . . . . . . . . 5978 1 128 . 1 1 12 12 ILE HG21 H 1 0.85 0.01 . 1 . . . . . . . . 5978 1 129 . 1 1 12 12 ILE HG22 H 1 0.85 0.01 . 1 . . . . . . . . 5978 1 130 . 1 1 12 12 ILE HG23 H 1 0.85 0.01 . 1 . . . . . . . . 5978 1 131 . 1 1 12 12 ILE HD11 H 1 0.90 0.01 . 1 . . . . . . . . 5978 1 132 . 1 1 12 12 ILE HD12 H 1 0.90 0.01 . 1 . . . . . . . . 5978 1 133 . 1 1 12 12 ILE HD13 H 1 0.90 0.01 . 1 . . . . . . . . 5978 1 134 . 1 1 12 12 ILE CA C 13 66.37 0.02 . 1 . . . . . . . . 5978 1 135 . 1 1 12 12 ILE CB C 13 38.65 0.02 . 1 . . . . . . . . 5978 1 136 . 1 1 12 12 ILE CG1 C 13 29.90 0.02 . 1 . . . . . . . . 5978 1 137 . 1 1 12 12 ILE CG2 C 13 17.44 0.02 . 1 . . . . . . . . 5978 1 138 . 1 1 12 12 ILE CD1 C 13 13.57 0.02 . 1 . . . . . . . . 5978 1 139 . 1 1 13 13 CYS H H 1 8.19 0.01 . 1 . . . . . . . . 5978 1 140 . 1 1 13 13 CYS HA H 1 3.85 0.01 . 1 . . . . . . . . 5978 1 141 . 1 1 13 13 CYS HB2 H 1 2.86 0.01 . 2 . . . . . . . . 5978 1 142 . 1 1 13 13 CYS HB3 H 1 2.56 0.01 . 2 . . . . . . . . 5978 1 143 . 1 1 13 13 CYS HG H 1 1.88 0.01 . 1 . . . . . . . . 5978 1 144 . 1 1 13 13 CYS CA C 13 65.08 0.02 . 1 . . . . . . . . 5978 1 145 . 1 1 13 13 CYS CB C 13 27.27 0.02 . 1 . . . . . . . . 5978 1 146 . 1 1 14 14 GLU H H 1 7.96 0.01 . 1 . . . . . . . . 5978 1 147 . 1 1 14 14 GLU HA H 1 3.99 0.01 . 1 . . . . . . . . 5978 1 148 . 1 1 14 14 GLU HB2 H 1 2.29 0.01 . 2 . . . . . . . . 5978 1 149 . 1 1 14 14 GLU HB3 H 1 2.21 0.01 . 2 . . . . . . . . 5978 1 150 . 1 1 14 14 GLU HG2 H 1 2.56 0.01 . 2 . . . . . . . . 5978 1 151 . 1 1 14 14 GLU HG3 H 1 2.43 0.01 . 2 . . . . . . . . 5978 1 152 . 1 1 14 14 GLU CA C 13 60.30 0.02 . 1 . . . . . . . . 5978 1 153 . 1 1 14 14 GLU CB C 13 28.66 0.02 . 1 . . . . . . . . 5978 1 154 . 1 1 14 14 GLU CG C 13 33.70 0.02 . 1 . . . . . . . . 5978 1 155 . 1 1 15 15 VAL H H 1 8.32 0.01 . 1 . . . . . . . . 5978 1 156 . 1 1 15 15 VAL HA H 1 3.44 0.01 . 1 . . . . . . . . 5978 1 157 . 1 1 15 15 VAL HB H 1 1.82 0.01 . 1 . . . . . . . . 5978 1 158 . 1 1 15 15 VAL HG11 H 1 0.69 0.01 . 1 . . . . . . . . 5978 1 159 . 1 1 15 15 VAL HG12 H 1 0.69 0.01 . 1 . . . . . . . . 5978 1 160 . 1 1 15 15 VAL HG13 H 1 0.69 0.01 . 1 . . . . . . . . 5978 1 161 . 1 1 15 15 VAL HG21 H 1 0.30 0.01 . 1 . . . . . . . . 5978 1 162 . 1 1 15 15 VAL HG22 H 1 0.30 0.01 . 1 . . . . . . . . 5978 1 163 . 1 1 15 15 VAL HG23 H 1 0.30 0.01 . 1 . . . . . . . . 5978 1 164 . 1 1 15 15 VAL CA C 13 67.93 0.02 . 1 . . . . . . . . 5978 1 165 . 1 1 15 15 VAL CB C 13 32.39 0.02 . 1 . . . . . . . . 5978 1 166 . 1 1 15 15 VAL CG1 C 13 21.30 0.02 . 1 . . . . . . . . 5978 1 167 . 1 1 15 15 VAL CG2 C 13 22.18 0.02 . 1 . . . . . . . . 5978 1 168 . 1 1 16 16 LEU H H 1 8.62 0.01 . 1 . . . . . . . . 5978 1 169 . 1 1 16 16 LEU HA H 1 4.17 0.01 . 1 . . . . . . . . 5978 1 170 . 1 1 16 16 LEU HB2 H 1 1.86 0.01 . 2 . . . . . . . . 5978 1 171 . 1 1 16 16 LEU HB3 H 1 1.48 0.01 . 2 . . . . . . . . 5978 1 172 . 1 1 16 16 LEU HG H 1 1.86 0.01 . 1 . . . . . . . . 5978 1 173 . 1 1 16 16 LEU HD11 H 1 0.87 0.01 . 2 . . . . . . . . 5978 1 174 . 1 1 16 16 LEU HD12 H 1 0.87 0.01 . 2 . . . . . . . . 5978 1 175 . 1 1 16 16 LEU HD13 H 1 0.87 0.01 . 2 . . . . . . . . 5978 1 176 . 1 1 16 16 LEU HD21 H 1 0.86 0.01 . 2 . . . . . . . . 5978 1 177 . 1 1 16 16 LEU HD22 H 1 0.86 0.01 . 2 . . . . . . . . 5978 1 178 . 1 1 16 16 LEU HD23 H 1 0.86 0.01 . 2 . . . . . . . . 5978 1 179 . 1 1 16 16 LEU CA C 13 59.08 0.02 . 1 . . . . . . . . 5978 1 180 . 1 1 16 16 LEU CB C 13 42.59 0.02 . 1 . . . . . . . . 5978 1 181 . 1 1 16 16 LEU CG C 13 27.74 0.02 . 1 . . . . . . . . 5978 1 182 . 1 1 17 17 SER H H 1 8.10 0.01 . 1 . . . . . . . . 5978 1 183 . 1 1 17 17 SER HA H 1 4.25 0.01 . 1 . . . . . . . . 5978 1 184 . 1 1 17 17 SER HB2 H 1 4.12 0.01 . 2 . . . . . . . . 5978 1 185 . 1 1 17 17 SER HB3 H 1 4.02 0.01 . 2 . . . . . . . . 5978 1 186 . 1 1 17 17 SER CA C 13 63.00 0.02 . 1 . . . . . . . . 5978 1 187 . 1 1 17 17 SER CB C 13 63.87 0.02 . 1 . . . . . . . . 5978 1 188 . 1 1 18 18 ASP H H 1 8.42 0.01 . 1 . . . . . . . . 5978 1 189 . 1 1 18 18 ASP HA H 1 4.50 0.01 . 1 . . . . . . . . 5978 1 190 . 1 1 18 18 ASP HB2 H 1 3.19 0.01 . 2 . . . . . . . . 5978 1 191 . 1 1 18 18 ASP HB3 H 1 2.76 0.01 . 2 . . . . . . . . 5978 1 192 . 1 1 18 18 ASP CA C 13 56.90 0.02 . 1 . . . . . . . . 5978 1 193 . 1 1 18 18 ASP CB C 13 37.94 0.02 . 1 . . . . . . . . 5978 1 194 . 1 1 19 19 PHE H H 1 8.73 0.01 . 1 . . . . . . . . 5978 1 195 . 1 1 19 19 PHE HA H 1 4.43 0.01 . 1 . . . . . . . . 5978 1 196 . 1 1 19 19 PHE HB2 H 1 3.32 0.01 . 2 . . . . . . . . 5978 1 197 . 1 1 19 19 PHE HB3 H 1 3.26 0.01 . 2 . . . . . . . . 5978 1 198 . 1 1 19 19 PHE HD1 H 1 7.20 0.01 . 1 . . . . . . . . 5978 1 199 . 1 1 19 19 PHE HD2 H 1 7.20 0.01 . 1 . . . . . . . . 5978 1 200 . 1 1 19 19 PHE HE1 H 1 7.29 0.01 . 1 . . . . . . . . 5978 1 201 . 1 1 19 19 PHE HE2 H 1 7.29 0.01 . 1 . . . . . . . . 5978 1 202 . 1 1 19 19 PHE HZ H 1 7.30 0.01 . 1 . . . . . . . . 5978 1 203 . 1 1 19 19 PHE CA C 13 62.50 0.02 . 1 . . . . . . . . 5978 1 204 . 1 1 19 19 PHE CB C 13 39.92 0.02 . 1 . . . . . . . . 5978 1 205 . 1 1 19 19 PHE CD1 C 13 132.14 0.02 . 1 . . . . . . . . 5978 1 206 . 1 1 19 19 PHE CD2 C 13 132.14 0.02 . 1 . . . . . . . . 5978 1 207 . 1 1 19 19 PHE CE1 C 13 132.02 0.02 . 1 . . . . . . . . 5978 1 208 . 1 1 19 19 PHE CE2 C 13 132.02 0.02 . 1 . . . . . . . . 5978 1 209 . 1 1 19 19 PHE CZ C 13 130.52 0.02 . 1 . . . . . . . . 5978 1 210 . 1 1 20 20 LYS H H 1 8.53 0.01 . 1 . . . . . . . . 5978 1 211 . 1 1 20 20 LYS HA H 1 3.93 0.01 . 1 . . . . . . . . 5978 1 212 . 1 1 20 20 LYS HB2 H 1 2.06 0.01 . 2 . . . . . . . . 5978 1 213 . 1 1 20 20 LYS HB3 H 1 1.98 0.01 . 2 . . . . . . . . 5978 1 214 . 1 1 20 20 LYS HG2 H 1 1.53 0.01 . 2 . . . . . . . . 5978 1 215 . 1 1 20 20 LYS HG3 H 1 1.85 0.01 . 2 . . . . . . . . 5978 1 216 . 1 1 20 20 LYS HD2 H 1 1.79 0.01 . 1 . . . . . . . . 5978 1 217 . 1 1 20 20 LYS HD3 H 1 1.79 0.01 . 1 . . . . . . . . 5978 1 218 . 1 1 20 20 LYS HE2 H 1 3.01 0.01 . 1 . . . . . . . . 5978 1 219 . 1 1 20 20 LYS HE3 H 1 3.01 0.01 . 1 . . . . . . . . 5978 1 220 . 1 1 20 20 LYS HZ1 H 1 7.66 0.01 . 1 . . . . . . . . 5978 1 221 . 1 1 20 20 LYS HZ2 H 1 7.66 0.01 . 1 . . . . . . . . 5978 1 222 . 1 1 20 20 LYS HZ3 H 1 7.66 0.01 . 1 . . . . . . . . 5978 1 223 . 1 1 20 20 LYS CA C 13 61.29 0.02 . 1 . . . . . . . . 5978 1 224 . 1 1 20 20 LYS CB C 13 33.30 0.02 . 1 . . . . . . . . 5978 1 225 . 1 1 20 20 LYS CG C 13 26.69 0.02 . 1 . . . . . . . . 5978 1 226 . 1 1 20 20 LYS CD C 13 30.66 0.02 . 1 . . . . . . . . 5978 1 227 . 1 1 20 20 LYS CE C 13 43.14 0.02 . 1 . . . . . . . . 5978 1 228 . 1 1 21 21 THR H H 1 7.95 0.01 . 1 . . . . . . . . 5978 1 229 . 1 1 21 21 THR HA H 1 3.94 0.01 . 1 . . . . . . . . 5978 1 230 . 1 1 21 21 THR HB H 1 4.46 0.01 . 1 . . . . . . . . 5978 1 231 . 1 1 21 21 THR HG21 H 1 1.31 0.01 . 1 . . . . . . . . 5978 1 232 . 1 1 21 21 THR HG22 H 1 1.31 0.01 . 1 . . . . . . . . 5978 1 233 . 1 1 21 21 THR HG23 H 1 1.31 0.01 . 1 . . . . . . . . 5978 1 234 . 1 1 21 21 THR CA C 13 67.90 0.02 . 1 . . . . . . . . 5978 1 235 . 1 1 21 21 THR CB C 13 69.70 0.02 . 1 . . . . . . . . 5978 1 236 . 1 1 21 21 THR CG2 C 13 22.16 0.02 . 1 . . . . . . . . 5978 1 237 . 1 1 22 22 TRP H H 1 8.22 0.01 . 1 . . . . . . . . 5978 1 238 . 1 1 22 22 TRP HA H 1 4.25 0.01 . 1 . . . . . . . . 5978 1 239 . 1 1 22 22 TRP HB2 H 1 3.56 0.01 . 2 . . . . . . . . 5978 1 240 . 1 1 22 22 TRP HB3 H 1 3.32 0.01 . 2 . . . . . . . . 5978 1 241 . 1 1 22 22 TRP HD1 H 1 7.16 0.01 . 1 . . . . . . . . 5978 1 242 . 1 1 22 22 TRP HE1 H 1 9.76 0.01 . 1 . . . . . . . . 5978 1 243 . 1 1 22 22 TRP HE3 H 1 7.38 0.01 . 1 . . . . . . . . 5978 1 244 . 1 1 22 22 TRP HZ2 H 1 7.44 0.01 . 1 . . . . . . . . 5978 1 245 . 1 1 22 22 TRP HZ3 H 1 7.06 0.01 . 1 . . . . . . . . 5978 1 246 . 1 1 22 22 TRP HH2 H 1 7.21 0.01 . 1 . . . . . . . . 5978 1 247 . 1 1 22 22 TRP CA C 13 62.14 0.02 . 1 . . . . . . . . 5978 1 248 . 1 1 22 22 TRP CB C 13 29.63 0.02 . 1 . . . . . . . . 5978 1 249 . 1 1 22 22 TRP CD1 C 13 127.15 0.02 . 1 . . . . . . . . 5978 1 250 . 1 1 22 22 TRP CE3 C 13 121.72 0.02 . 1 . . . . . . . . 5978 1 251 . 1 1 22 22 TRP CZ2 C 13 114.76 0.02 . 1 . . . . . . . . 5978 1 252 . 1 1 22 22 TRP CZ3 C 13 122.77 0.02 . 1 . . . . . . . . 5978 1 253 . 1 1 22 22 TRP CH2 C 13 125.12 0.02 . 1 . . . . . . . . 5978 1 254 . 1 1 23 23 LEU H H 1 8.61 0.01 . 1 . . . . . . . . 5978 1 255 . 1 1 23 23 LEU HA H 1 3.71 0.01 . 1 . . . . . . . . 5978 1 256 . 1 1 23 23 LEU HB2 H 1 1.55 0.01 . 1 . . . . . . . . 5978 1 257 . 1 1 23 23 LEU HB3 H 1 1.55 0.01 . 1 . . . . . . . . 5978 1 258 . 1 1 23 23 LEU HG H 1 1.56 0.01 . 1 . . . . . . . . 5978 1 259 . 1 1 23 23 LEU HD11 H 1 0.89 0.01 . 2 . . . . . . . . 5978 1 260 . 1 1 23 23 LEU HD12 H 1 0.89 0.01 . 2 . . . . . . . . 5978 1 261 . 1 1 23 23 LEU HD13 H 1 0.89 0.01 . 2 . . . . . . . . 5978 1 262 . 1 1 23 23 LEU HD21 H 1 0.83 0.01 . 2 . . . . . . . . 5978 1 263 . 1 1 23 23 LEU HD22 H 1 0.83 0.01 . 2 . . . . . . . . 5978 1 264 . 1 1 23 23 LEU HD23 H 1 0.83 0.01 . 2 . . . . . . . . 5978 1 265 . 1 1 23 23 LEU CA C 13 58.89 0.02 . 1 . . . . . . . . 5978 1 266 . 1 1 23 23 LEU CB C 13 43.04 0.02 . 1 . . . . . . . . 5978 1 267 . 1 1 23 23 LEU CG C 13 27.54 0.02 . 1 . . . . . . . . 5978 1 268 . 1 1 24 24 LYS H H 1 7.96 0.01 . 1 . . . . . . . . 5978 1 269 . 1 1 24 24 LYS HA H 1 3.89 0.01 . 1 . . . . . . . . 5978 1 270 . 1 1 24 24 LYS HB2 H 1 1.98 0.01 . 1 . . . . . . . . 5978 1 271 . 1 1 24 24 LYS HB3 H 1 1.98 0.01 . 1 . . . . . . . . 5978 1 272 . 1 1 24 24 LYS HG2 H 1 1.49 0.01 . 2 . . . . . . . . 5978 1 273 . 1 1 24 24 LYS HG3 H 1 1.63 0.01 . 2 . . . . . . . . 5978 1 274 . 1 1 24 24 LYS HD2 H 1 1.75 0.01 . 1 . . . . . . . . 5978 1 275 . 1 1 24 24 LYS HD3 H 1 1.75 0.01 . 1 . . . . . . . . 5978 1 276 . 1 1 24 24 LYS HE2 H 1 3.01 0.01 . 1 . . . . . . . . 5978 1 277 . 1 1 24 24 LYS HE3 H 1 3.01 0.01 . 1 . . . . . . . . 5978 1 278 . 1 1 24 24 LYS HZ1 H 1 7.65 0.01 . 1 . . . . . . . . 5978 1 279 . 1 1 24 24 LYS HZ2 H 1 7.65 0.01 . 1 . . . . . . . . 5978 1 280 . 1 1 24 24 LYS HZ3 H 1 7.65 0.01 . 1 . . . . . . . . 5978 1 281 . 1 1 24 24 LYS CA C 13 60.67 0.02 . 1 . . . . . . . . 5978 1 282 . 1 1 24 24 LYS CB C 13 33.26 0.02 . 1 . . . . . . . . 5978 1 283 . 1 1 24 24 LYS CG C 13 26.17 0.02 . 1 . . . . . . . . 5978 1 284 . 1 1 24 24 LYS CD C 13 30.51 0.02 . 1 . . . . . . . . 5978 1 285 . 1 1 24 24 LYS CE C 13 43.14 0.02 . 1 . . . . . . . . 5978 1 286 . 1 1 25 25 ALA H H 1 7.76 0.01 . 1 . . . . . . . . 5978 1 287 . 1 1 25 25 ALA HA H 1 4.12 0.01 . 1 . . . . . . . . 5978 1 288 . 1 1 25 25 ALA HB1 H 1 1.47 0.01 . 1 . . . . . . . . 5978 1 289 . 1 1 25 25 ALA HB2 H 1 1.47 0.01 . 1 . . . . . . . . 5978 1 290 . 1 1 25 25 ALA HB3 H 1 1.47 0.01 . 1 . . . . . . . . 5978 1 291 . 1 1 25 25 ALA CA C 13 55.30 0.02 . 1 . . . . . . . . 5978 1 292 . 1 1 25 25 ALA CB C 13 18.88 0.02 . 1 . . . . . . . . 5978 1 293 . 1 1 26 26 LYS H H 1 7.82 0.01 . 1 . . . . . . . . 5978 1 294 . 1 1 26 26 LYS HA H 1 4.06 0.01 . 1 . . . . . . . . 5978 1 295 . 1 1 26 26 LYS HB2 H 1 1.60 0.01 . 1 . . . . . . . . 5978 1 296 . 1 1 26 26 LYS HB3 H 1 1.60 0.01 . 1 . . . . . . . . 5978 1 297 . 1 1 26 26 LYS HG2 H 1 1.11 0.01 . 2 . . . . . . . . 5978 1 298 . 1 1 26 26 LYS HG3 H 1 0.95 0.01 . 2 . . . . . . . . 5978 1 299 . 1 1 26 26 LYS HD2 H 1 1.42 0.01 . 1 . . . . . . . . 5978 1 300 . 1 1 26 26 LYS HD3 H 1 1.42 0.01 . 1 . . . . . . . . 5978 1 301 . 1 1 26 26 LYS HE2 H 1 2.84 0.01 . 2 . . . . . . . . 5978 1 302 . 1 1 26 26 LYS HE3 H 1 2.69 0.01 . 2 . . . . . . . . 5978 1 303 . 1 1 26 26 LYS HZ1 H 1 7.47 0.01 . 1 . . . . . . . . 5978 1 304 . 1 1 26 26 LYS HZ2 H 1 7.47 0.01 . 1 . . . . . . . . 5978 1 305 . 1 1 26 26 LYS HZ3 H 1 7.47 0.01 . 1 . . . . . . . . 5978 1 306 . 1 1 26 26 LYS CA C 13 57.63 0.02 . 1 . . . . . . . . 5978 1 307 . 1 1 26 26 LYS CB C 13 32.83 0.02 . 1 . . . . . . . . 5978 1 308 . 1 1 26 26 LYS CG C 13 24.51 0.02 . 1 . . . . . . . . 5978 1 309 . 1 1 26 26 LYS CD C 13 28.94 0.02 . 1 . . . . . . . . 5978 1 310 . 1 1 26 26 LYS CE C 13 43.04 0.02 . 1 . . . . . . . . 5978 1 311 . 1 1 27 27 LEU H H 1 7.86 0.01 . 1 . . . . . . . . 5978 1 312 . 1 1 27 27 LEU HA H 1 4.32 0.01 . 1 . . . . . . . . 5978 1 313 . 1 1 27 27 LEU HB2 H 1 1.75 0.01 . 2 . . . . . . . . 5978 1 314 . 1 1 27 27 LEU HB3 H 1 1.59 0.01 . 2 . . . . . . . . 5978 1 315 . 1 1 27 27 LEU HG H 1 1.77 0.01 . 1 . . . . . . . . 5978 1 316 . 1 1 27 27 LEU HD11 H 1 0.87 0.01 . 2 . . . . . . . . 5978 1 317 . 1 1 27 27 LEU HD12 H 1 0.87 0.01 . 2 . . . . . . . . 5978 1 318 . 1 1 27 27 LEU HD13 H 1 0.87 0.01 . 2 . . . . . . . . 5978 1 319 . 1 1 27 27 LEU HD21 H 1 0.85 0.01 . 2 . . . . . . . . 5978 1 320 . 1 1 27 27 LEU HD22 H 1 0.85 0.01 . 2 . . . . . . . . 5978 1 321 . 1 1 27 27 LEU HD23 H 1 0.85 0.01 . 2 . . . . . . . . 5978 1 322 . 1 1 27 27 LEU CA C 13 56.50 0.02 . 1 . . . . . . . . 5978 1 323 . 1 1 27 27 LEU CB C 13 43.76 0.02 . 1 . . . . . . . . 5978 1 324 . 1 1 27 27 LEU CG C 13 27.73 0.02 . 1 . . . . . . . . 5978 1 325 . 1 1 28 28 MET H H 1 7.78 0.01 . 1 . . . . . . . . 5978 1 326 . 1 1 28 28 MET HA H 1 4.73 0.01 . 1 . . . . . . . . 5978 1 327 . 1 1 28 28 MET HB2 H 1 2.12 0.01 . 1 . . . . . . . . 5978 1 328 . 1 1 28 28 MET HB3 H 1 2.12 0.01 . 1 . . . . . . . . 5978 1 329 . 1 1 28 28 MET HG2 H 1 2.67 0.01 . 1 . . . . . . . . 5978 1 330 . 1 1 28 28 MET HG3 H 1 2.67 0.01 . 1 . . . . . . . . 5978 1 331 . 1 1 28 28 MET HE1 H 1 2.13 0.01 . 1 . . . . . . . . 5978 1 332 . 1 1 28 28 MET HE2 H 1 2.13 0.01 . 1 . . . . . . . . 5978 1 333 . 1 1 28 28 MET HE3 H 1 2.13 0.01 . 1 . . . . . . . . 5978 1 334 . 1 1 28 28 MET CA C 13 55.57 0.02 . 1 . . . . . . . . 5978 1 335 . 1 1 28 28 MET CB C 13 33.24 0.02 . 1 . . . . . . . . 5978 1 336 . 1 1 28 28 MET CG C 13 33.13 0.02 . 1 . . . . . . . . 5978 1 337 . 1 1 28 28 MET CE C 13 17.39 0.02 . 1 . . . . . . . . 5978 1 338 . 1 1 29 29 PRO HA H 1 4.45 0.01 . 1 . . . . . . . . 5978 1 339 . 1 1 29 29 PRO HB2 H 1 2.34 0.01 . 2 . . . . . . . . 5978 1 340 . 1 1 29 29 PRO HB3 H 1 1.92 0.01 . 2 . . . . . . . . 5978 1 341 . 1 1 29 29 PRO HG2 H 1 2.04 0.01 . 1 . . . . . . . . 5978 1 342 . 1 1 29 29 PRO HG3 H 1 2.04 0.01 . 1 . . . . . . . . 5978 1 343 . 1 1 29 29 PRO HD2 H 1 3.77 0.01 . 2 . . . . . . . . 5978 1 344 . 1 1 29 29 PRO HD3 H 1 3.65 0.01 . 2 . . . . . . . . 5978 1 345 . 1 1 29 29 PRO CA C 13 64.80 0.02 . 1 . . . . . . . . 5978 1 346 . 1 1 29 29 PRO CB C 13 32.67 0.02 . 1 . . . . . . . . 5978 1 347 . 1 1 29 29 PRO CG C 13 28.15 0.02 . 1 . . . . . . . . 5978 1 348 . 1 1 29 29 PRO CD C 13 51.42 0.02 . 1 . . . . . . . . 5978 1 349 . 1 1 30 30 GLN H H 1 8.24 0.01 . 1 . . . . . . . . 5978 1 350 . 1 1 30 30 GLN HA H 1 4.45 0.01 . 1 . . . . . . . . 5978 1 351 . 1 1 30 30 GLN HB2 H 1 2.21 0.01 . 2 . . . . . . . . 5978 1 352 . 1 1 30 30 GLN HB3 H 1 2.05 0.01 . 2 . . . . . . . . 5978 1 353 . 1 1 30 30 GLN HG2 H 1 2.43 0.01 . 1 . . . . . . . . 5978 1 354 . 1 1 30 30 GLN HG3 H 1 2.43 0.01 . 1 . . . . . . . . 5978 1 355 . 1 1 30 30 GLN HE21 H 1 7.49 0.01 . 2 . . . . . . . . 5978 1 356 . 1 1 30 30 GLN HE22 H 1 6.65 0.01 . 2 . . . . . . . . 5978 1 357 . 1 1 30 30 GLN CA C 13 56.31 0.02 . 1 . . . . . . . . 5978 1 358 . 1 1 30 30 GLN CB C 13 30.56 0.02 . 1 . . . . . . . . 5978 1 359 . 1 1 30 30 GLN CG C 13 34.64 0.02 . 1 . . . . . . . . 5978 1 360 . 1 1 31 31 LEU H H 1 7.92 0.01 . 1 . . . . . . . . 5978 1 361 . 1 1 31 31 LEU HA H 1 4.45 0.01 . 1 . . . . . . . . 5978 1 362 . 1 1 31 31 LEU HB2 H 1 1.71 0.01 . 1 . . . . . . . . 5978 1 363 . 1 1 31 31 LEU HB3 H 1 1.71 0.01 . 1 . . . . . . . . 5978 1 364 . 1 1 31 31 LEU HG H 1 1.71 0.01 . 1 . . . . . . . . 5978 1 365 . 1 1 31 31 LEU HD11 H 1 0.96 0.01 . 1 . . . . . . . . 5978 1 366 . 1 1 31 31 LEU HD12 H 1 0.96 0.01 . 1 . . . . . . . . 5978 1 367 . 1 1 31 31 LEU HD13 H 1 0.96 0.01 . 1 . . . . . . . . 5978 1 368 . 1 1 31 31 LEU HD21 H 1 0.91 0.01 . 1 . . . . . . . . 5978 1 369 . 1 1 31 31 LEU HD22 H 1 0.91 0.01 . 1 . . . . . . . . 5978 1 370 . 1 1 31 31 LEU HD23 H 1 0.91 0.01 . 1 . . . . . . . . 5978 1 371 . 1 1 31 31 LEU CA C 13 55.30 0.02 . 1 . . . . . . . . 5978 1 372 . 1 1 31 31 LEU CB C 13 43.32 0.02 . 1 . . . . . . . . 5978 1 373 . 1 1 31 31 LEU CG C 13 28.01 0.02 . 1 . . . . . . . . 5978 1 374 . 1 1 31 31 LEU CD1 C 13 25.39 0.02 . 1 . . . . . . . . 5978 1 375 . 1 1 31 31 LEU CD2 C 13 23.58 0.02 . 1 . . . . . . . . 5978 1 stop_ save_ save_chemical_shift_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_2 _Assigned_chem_shift_list.Entry_ID 5978 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $condition_sds _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . . 2 $Sample_sds . 5978 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HB2 H 1 4.11 0.01 . 1 . . . . . . . . 5978 2 2 . 1 1 1 1 SER HB3 H 1 4.11 0.01 . 1 . . . . . . . . 5978 2 3 . 1 1 1 1 SER CA C 13 58.82 0.02 . 1 . . . . . . . . 5978 2 4 . 1 1 2 2 GLY HA2 H 1 4.05 0.01 . 1 . . . . . . . . 5978 2 5 . 1 1 2 2 GLY HA3 H 1 4.05 0.01 . 1 . . . . . . . . 5978 2 6 . 1 1 2 2 GLY CA C 13 45.55 0.02 . 1 . . . . . . . . 5978 2 7 . 1 1 3 3 SER H H 1 8.21 0.01 . 1 . . . . . . . . 5978 2 8 . 1 1 3 3 SER HA H 1 4.49 0.01 . 1 . . . . . . . . 5978 2 9 . 1 1 3 3 SER HB2 H 1 3.96 0.01 . 2 . . . . . . . . 5978 2 10 . 1 1 3 3 SER HB3 H 1 3.80 0.01 . 2 . . . . . . . . 5978 2 11 . 1 1 3 3 SER CA C 13 58.82 0.02 . 1 . . . . . . . . 5978 2 12 . 1 1 3 3 SER CB C 13 63.71 0.02 . 1 . . . . . . . . 5978 2 13 . 1 1 4 4 TRP H H 1 7.97 0.01 . 1 . . . . . . . . 5978 2 14 . 1 1 4 4 TRP HA H 1 4.49 0.01 . 1 . . . . . . . . 5978 2 15 . 1 1 4 4 TRP HB2 H 1 3.40 0.01 . 2 . . . . . . . . 5978 2 16 . 1 1 4 4 TRP HB3 H 1 3.31 0.01 . 2 . . . . . . . . 5978 2 17 . 1 1 4 4 TRP HD1 H 1 7.46 0.01 . 1 . . . . . . . . 5978 2 18 . 1 1 4 4 TRP HE1 H 1 9.96 0.01 . 1 . . . . . . . . 5978 2 19 . 1 1 4 4 TRP HE3 H 1 7.51 0.01 . 1 . . . . . . . . 5978 2 20 . 1 1 4 4 TRP HZ2 H 1 7.50 0.01 . 1 . . . . . . . . 5978 2 21 . 1 1 4 4 TRP CA C 13 57.27 0.02 . 1 . . . . . . . . 5978 2 22 . 1 1 4 4 TRP CB C 13 28.84 0.02 . 1 . . . . . . . . 5978 2 23 . 1 1 4 4 TRP CD1 C 13 127.23 0.02 . 1 . . . . . . . . 5978 2 24 . 1 1 4 4 TRP CE3 C 13 120.64 0.02 . 1 . . . . . . . . 5978 2 25 . 1 1 4 4 TRP CZ2 C 13 114.41 0.02 . 1 . . . . . . . . 5978 2 26 . 1 1 5 5 LEU H H 1 7.48 0.01 . 1 . . . . . . . . 5978 2 27 . 1 1 5 5 LEU HA H 1 3.89 0.01 . 1 . . . . . . . . 5978 2 28 . 1 1 5 5 LEU HB2 H 1 1.38 0.01 . 1 . . . . . . . . 5978 2 29 . 1 1 5 5 LEU HB3 H 1 1.38 0.01 . 1 . . . . . . . . 5978 2 30 . 1 1 5 5 LEU HG H 1 1.36 0.01 . 1 . . . . . . . . 5978 2 31 . 1 1 5 5 LEU HD11 H 1 0.84 0.01 . 2 . . . . . . . . 5978 2 32 . 1 1 5 5 LEU HD12 H 1 0.84 0.01 . 2 . . . . . . . . 5978 2 33 . 1 1 5 5 LEU HD13 H 1 0.84 0.01 . 2 . . . . . . . . 5978 2 34 . 1 1 5 5 LEU HD21 H 1 0.71 0.01 . 2 . . . . . . . . 5978 2 35 . 1 1 5 5 LEU HD22 H 1 0.71 0.01 . 2 . . . . . . . . 5978 2 36 . 1 1 5 5 LEU HD23 H 1 0.71 0.01 . 2 . . . . . . . . 5978 2 37 . 1 1 5 5 LEU CA C 13 56.53 0.02 . 1 . . . . . . . . 5978 2 38 . 1 1 5 5 LEU CB C 13 41.58 0.02 . 1 . . . . . . . . 5978 2 39 . 1 1 6 6 ARG H H 1 7.58 0.01 . 1 . . . . . . . . 5978 2 40 . 1 1 6 6 ARG HA H 1 4.04 0.01 . 1 . . . . . . . . 5978 2 41 . 1 1 6 6 ARG HB2 H 1 1.96 0.01 . 2 . . . . . . . . 5978 2 42 . 1 1 6 6 ARG HB3 H 1 1.88 0.01 . 2 . . . . . . . . 5978 2 43 . 1 1 6 6 ARG HG2 H 1 1.73 0.01 . 1 . . . . . . . . 5978 2 44 . 1 1 6 6 ARG HG3 H 1 1.73 0.01 . 1 . . . . . . . . 5978 2 45 . 1 1 6 6 ARG HD2 H 1 3.25 0.01 . 1 . . . . . . . . 5978 2 46 . 1 1 6 6 ARG HD3 H 1 3.25 0.01 . 1 . . . . . . . . 5978 2 47 . 1 1 6 6 ARG CA C 13 58.89 0.02 . 1 . . . . . . . . 5978 2 48 . 1 1 6 6 ARG CB C 13 29.34 0.02 . 1 . . . . . . . . 5978 2 49 . 1 1 6 6 ARG CG C 13 27.28 0.02 . 1 . . . . . . . . 5978 2 50 . 1 1 6 6 ARG CD C 13 42.92 0.02 . 1 . . . . . . . . 5978 2 51 . 1 1 7 7 ASP H H 1 8.03 0.01 . 1 . . . . . . . . 5978 2 52 . 1 1 7 7 ASP HA H 1 4.49 0.01 . 1 . . . . . . . . 5978 2 53 . 1 1 7 7 ASP HB2 H 1 2.93 0.01 . 2 . . . . . . . . 5978 2 54 . 1 1 7 7 ASP HB3 H 1 2.72 0.01 . 2 . . . . . . . . 5978 2 55 . 1 1 7 7 ASP CA C 13 59.75 0.02 . 1 . . . . . . . . 5978 2 56 . 1 1 7 7 ASP CB C 13 38.94 0.02 . 1 . . . . . . . . 5978 2 57 . 1 1 8 8 ILE H H 1 8.07 0.01 . 1 . . . . . . . . 5978 2 58 . 1 1 8 8 ILE HA H 1 4.09 0.01 . 1 . . . . . . . . 5978 2 59 . 1 1 8 8 ILE HB H 1 2.13 0.01 . 1 . . . . . . . . 5978 2 60 . 1 1 8 8 ILE HG12 H 1 1.71 0.01 . 2 . . . . . . . . 5978 2 61 . 1 1 8 8 ILE HG13 H 1 1.20 0.01 . 2 . . . . . . . . 5978 2 62 . 1 1 8 8 ILE HG21 H 1 1.02 0.01 . 1 . . . . . . . . 5978 2 63 . 1 1 8 8 ILE HG22 H 1 1.02 0.01 . 1 . . . . . . . . 5978 2 64 . 1 1 8 8 ILE HG23 H 1 1.02 0.01 . 1 . . . . . . . . 5978 2 65 . 1 1 8 8 ILE HD11 H 1 0.81 0.01 . 1 . . . . . . . . 5978 2 66 . 1 1 8 8 ILE HD12 H 1 0.81 0.01 . 1 . . . . . . . . 5978 2 67 . 1 1 8 8 ILE HD13 H 1 0.81 0.01 . 1 . . . . . . . . 5978 2 68 . 1 1 8 8 ILE CA C 13 64.49 0.02 . 1 . . . . . . . . 5978 2 69 . 1 1 8 8 ILE CB C 13 37.90 0.02 . 1 . . . . . . . . 5978 2 70 . 1 1 8 8 ILE CG2 C 13 17.76 0.02 . 1 . . . . . . . . 5978 2 71 . 1 1 8 8 ILE CD1 C 13 13.76 0.02 . 1 . . . . . . . . 5978 2 72 . 1 1 9 9 TRP H H 1 8.32 0.01 . 1 . . . . . . . . 5978 2 73 . 1 1 9 9 TRP HA H 1 4.65 0.01 . 1 . . . . . . . . 5978 2 74 . 1 1 9 9 TRP HB2 H 1 3.41 0.01 . 1 . . . . . . . . 5978 2 75 . 1 1 9 9 TRP HB3 H 1 3.41 0.01 . 1 . . . . . . . . 5978 2 76 . 1 1 9 9 TRP HD1 H 1 7.18 0.01 . 1 . . . . . . . . 5978 2 77 . 1 1 9 9 TRP HE1 H 1 9.77 0.01 . 1 . . . . . . . . 5978 2 78 . 1 1 9 9 TRP HE3 H 1 7.43 0.01 . 1 . . . . . . . . 5978 2 79 . 1 1 9 9 TRP HZ2 H 1 7.39 0.01 . 1 . . . . . . . . 5978 2 80 . 1 1 9 9 TRP HZ3 H 1 7.02 0.01 . 1 . . . . . . . . 5978 2 81 . 1 1 9 9 TRP CA C 13 59.83 0.02 . 1 . . . . . . . . 5978 2 82 . 1 1 9 9 TRP CB C 13 30.24 0.02 . 1 . . . . . . . . 5978 2 83 . 1 1 9 9 TRP CD1 C 13 126.69 0.02 . 1 . . . . . . . . 5978 2 84 . 1 1 9 9 TRP CE3 C 13 120.80 0.02 . 1 . . . . . . . . 5978 2 85 . 1 1 9 9 TRP CZ2 C 13 114.34 0.02 . 1 . . . . . . . . 5978 2 86 . 1 1 9 9 TRP CZ3 C 13 121.82 0.02 . 1 . . . . . . . . 5978 2 87 . 1 1 10 10 ASP H H 1 8.59 0.01 . 1 . . . . . . . . 5978 2 88 . 1 1 10 10 ASP HA H 1 4.19 0.01 . 1 . . . . . . . . 5978 2 89 . 1 1 10 10 ASP HB2 H 1 2.86 0.01 . 2 . . . . . . . . 5978 2 90 . 1 1 10 10 ASP HB3 H 1 2.69 0.01 . 2 . . . . . . . . 5978 2 91 . 1 1 10 10 ASP CA C 13 57.58 0.02 . 1 . . . . . . . . 5978 2 92 . 1 1 10 10 ASP CB C 13 42.03 0.02 . 1 . . . . . . . . 5978 2 93 . 1 1 11 11 TRP H H 1 7.82 0.01 . 1 . . . . . . . . 5978 2 94 . 1 1 11 11 TRP HA H 1 4.29 0.01 . 1 . . . . . . . . 5978 2 95 . 1 1 11 11 TRP HB2 H 1 3.61 0.01 . 2 . . . . . . . . 5978 2 96 . 1 1 11 11 TRP HB3 H 1 3.31 0.01 . 2 . . . . . . . . 5978 2 97 . 1 1 11 11 TRP HD1 H 1 7.28 0.01 . 1 . . . . . . . . 5978 2 98 . 1 1 11 11 TRP HE1 H 1 9.83 0.01 . 1 . . . . . . . . 5978 2 99 . 1 1 11 11 TRP HE3 H 1 7.51 0.01 . 1 . . . . . . . . 5978 2 100 . 1 1 11 11 TRP HZ2 H 1 7.36 0.01 . 1 . . . . . . . . 5978 2 101 . 1 1 11 11 TRP HZ3 H 1 6.89 0.01 . 1 . . . . . . . . 5978 2 102 . 1 1 11 11 TRP CA C 13 61.68 0.02 . 1 . . . . . . . . 5978 2 103 . 1 1 11 11 TRP CB C 13 28.84 0.02 . 1 . . . . . . . . 5978 2 104 . 1 1 11 11 TRP CD1 C 13 126.88 0.02 . 1 . . . . . . . . 5978 2 105 . 1 1 11 11 TRP CE3 C 13 120.64 0.02 . 1 . . . . . . . . 5978 2 106 . 1 1 11 11 TRP CZ2 C 13 114.78 0.02 . 1 . . . . . . . . 5978 2 107 . 1 1 11 11 TRP CZ3 C 13 121.23 0.02 . 1 . . . . . . . . 5978 2 108 . 1 1 12 12 ILE H H 1 8.65 0.01 . 1 . . . . . . . . 5978 2 109 . 1 1 12 12 ILE HA H 1 3.24 0.01 . 1 . . . . . . . . 5978 2 110 . 1 1 12 12 ILE HB H 1 1.96 0.01 . 1 . . . . . . . . 5978 2 111 . 1 1 12 12 ILE HG12 H 1 1.13 0.01 . 2 . . . . . . . . 5978 2 112 . 1 1 12 12 ILE HG13 H 1 1.20 0.01 . 2 . . . . . . . . 5978 2 113 . 1 1 12 12 ILE HG21 H 1 0.90 0.01 . 1 . . . . . . . . 5978 2 114 . 1 1 12 12 ILE HG22 H 1 0.90 0.01 . 1 . . . . . . . . 5978 2 115 . 1 1 12 12 ILE HG23 H 1 0.90 0.01 . 1 . . . . . . . . 5978 2 116 . 1 1 12 12 ILE HD11 H 1 0.69 0.01 . 1 . . . . . . . . 5978 2 117 . 1 1 12 12 ILE HD12 H 1 0.69 0.01 . 1 . . . . . . . . 5978 2 118 . 1 1 12 12 ILE HD13 H 1 0.69 0.01 . 1 . . . . . . . . 5978 2 119 . 1 1 12 12 ILE CA C 13 64.88 0.02 . 1 . . . . . . . . 5978 2 120 . 1 1 12 12 ILE CB C 13 37.49 0.02 . 1 . . . . . . . . 5978 2 121 . 1 1 12 12 ILE CG2 C 13 17.76 0.02 . 1 . . . . . . . . 5978 2 122 . 1 1 12 12 ILE CD1 C 13 13.50 0.02 . 1 . . . . . . . . 5978 2 123 . 1 1 13 13 CYS H H 1 8.02 0.01 . 1 . . . . . . . . 5978 2 124 . 1 1 13 13 CYS HA H 1 3.62 0.01 . 1 . . . . . . . . 5978 2 125 . 1 1 13 13 CYS HB2 H 1 2.61 0.01 . 2 . . . . . . . . 5978 2 126 . 1 1 13 13 CYS HB3 H 1 2.38 0.01 . 2 . . . . . . . . 5978 2 127 . 1 1 13 13 CYS CA C 13 64.07 0.02 . 1 . . . . . . . . 5978 2 128 . 1 1 13 13 CYS CB C 13 26.31 0.02 . 1 . . . . . . . . 5978 2 129 . 1 1 14 14 GLU H H 1 7.51 0.01 . 1 . . . . . . . . 5978 2 130 . 1 1 14 14 GLU HA H 1 3.98 0.01 . 1 . . . . . . . . 5978 2 131 . 1 1 14 14 GLU HB2 H 1 2.23 0.01 . 2 . . . . . . . . 5978 2 132 . 1 1 14 14 GLU HB3 H 1 2.05 0.01 . 2 . . . . . . . . 5978 2 133 . 1 1 14 14 GLU HG2 H 1 2.31 0.01 . 1 . . . . . . . . 5978 2 134 . 1 1 14 14 GLU HG3 H 1 2.31 0.01 . 1 . . . . . . . . 5978 2 135 . 1 1 14 14 GLU CA C 13 62.33 0.02 . 1 . . . . . . . . 5978 2 136 . 1 1 14 14 GLU CB C 13 31.99 0.02 . 1 . . . . . . . . 5978 2 137 . 1 1 14 14 GLU CG C 13 35.00 0.02 . 1 . . . . . . . . 5978 2 138 . 1 1 15 15 VAL H H 1 7.82 0.01 . 1 . . . . . . . . 5978 2 139 . 1 1 15 15 VAL HA H 1 3.76 0.01 . 1 . . . . . . . . 5978 2 140 . 1 1 15 15 VAL HB H 1 1.68 0.01 . 1 . . . . . . . . 5978 2 141 . 1 1 15 15 VAL HG11 H 1 0.50 0.01 . 1 . . . . . . . . 5978 2 142 . 1 1 15 15 VAL HG12 H 1 0.50 0.01 . 1 . . . . . . . . 5978 2 143 . 1 1 15 15 VAL HG13 H 1 0.50 0.01 . 1 . . . . . . . . 5978 2 144 . 1 1 15 15 VAL HG21 H 1 0.24 0.01 . 1 . . . . . . . . 5978 2 145 . 1 1 15 15 VAL HG22 H 1 0.24 0.01 . 1 . . . . . . . . 5978 2 146 . 1 1 15 15 VAL HG23 H 1 0.24 0.01 . 1 . . . . . . . . 5978 2 147 . 1 1 15 15 VAL CA C 13 65.01 0.02 . 1 . . . . . . . . 5978 2 148 . 1 1 15 15 VAL CB C 13 31.64 0.02 . 1 . . . . . . . . 5978 2 149 . 1 1 15 15 VAL CG1 C 13 21.07 0.02 . 1 . . . . . . . . 5978 2 150 . 1 1 15 15 VAL CG2 C 13 20.74 0.02 . 1 . . . . . . . . 5978 2 151 . 1 1 16 16 LEU H H 1 8.08 0.01 . 1 . . . . . . . . 5978 2 152 . 1 1 16 16 LEU HA H 1 4.13 0.01 . 1 . . . . . . . . 5978 2 153 . 1 1 16 16 LEU HB2 H 1 1.73 0.01 . 1 . . . . . . . . 5978 2 154 . 1 1 16 16 LEU HB3 H 1 1.73 0.01 . 1 . . . . . . . . 5978 2 155 . 1 1 16 16 LEU HG H 1 1.60 0.01 . 1 . . . . . . . . 5978 2 156 . 1 1 16 16 LEU HD11 H 1 0.79 0.01 . 2 . . . . . . . . 5978 2 157 . 1 1 16 16 LEU HD12 H 1 0.79 0.01 . 2 . . . . . . . . 5978 2 158 . 1 1 16 16 LEU HD13 H 1 0.79 0.01 . 2 . . . . . . . . 5978 2 159 . 1 1 16 16 LEU HD21 H 1 0.74 0.01 . 2 . . . . . . . . 5978 2 160 . 1 1 16 16 LEU HD22 H 1 0.74 0.01 . 2 . . . . . . . . 5978 2 161 . 1 1 16 16 LEU HD23 H 1 0.74 0.01 . 2 . . . . . . . . 5978 2 162 . 1 1 16 16 LEU CA C 13 57.13 0.02 . 1 . . . . . . . . 5978 2 163 . 1 1 16 16 LEU CB C 13 41.42 0.02 . 1 . . . . . . . . 5978 2 164 . 1 1 17 17 SER H H 1 7.76 0.01 . 1 . . . . . . . . 5978 2 165 . 1 1 17 17 SER HA H 1 4.14 0.01 . 1 . . . . . . . . 5978 2 166 . 1 1 17 17 SER HB2 H 1 3.98 0.01 . 1 . . . . . . . . 5978 2 167 . 1 1 17 17 SER HB3 H 1 3.98 0.01 . 1 . . . . . . . . 5978 2 168 . 1 1 17 17 SER CA C 13 61.83 0.02 . 1 . . . . . . . . 5978 2 169 . 1 1 17 17 SER CB C 13 62.96 0.02 . 1 . . . . . . . . 5978 2 170 . 1 1 18 18 ASP HA H 1 4.68 0.01 . 1 . . . . . . . . 5978 2 171 . 1 1 18 18 ASP HB2 H 1 2.78 0.01 . 1 . . . . . . . . 5978 2 172 . 1 1 18 18 ASP HB3 H 1 2.78 0.01 . 1 . . . . . . . . 5978 2 173 . 1 1 18 18 ASP CA C 13 60.64 0.02 . 1 . . . . . . . . 5978 2 174 . 1 1 18 18 ASP CB C 13 39.64 0.02 . 1 . . . . . . . . 5978 2 175 . 1 1 19 19 PHE H H 1 8.16 0.01 . 1 . . . . . . . . 5978 2 176 . 1 1 19 19 PHE HA H 1 4.48 0.01 . 1 . . . . . . . . 5978 2 177 . 1 1 19 19 PHE HB2 H 1 3.27 0.01 . 1 . . . . . . . . 5978 2 178 . 1 1 19 19 PHE HB3 H 1 3.27 0.01 . 1 . . . . . . . . 5978 2 179 . 1 1 19 19 PHE HD1 H 1 7.14 0.01 . 1 . . . . . . . . 5978 2 180 . 1 1 19 19 PHE HD2 H 1 7.14 0.01 . 1 . . . . . . . . 5978 2 181 . 1 1 19 19 PHE HE1 H 1 7.19 0.01 . 1 . . . . . . . . 5978 2 182 . 1 1 19 19 PHE HE2 H 1 7.19 0.01 . 1 . . . . . . . . 5978 2 183 . 1 1 19 19 PHE HZ H 1 7.19 0.01 . 1 . . . . . . . . 5978 2 184 . 1 1 19 19 PHE CA C 13 60.64 0.02 . 1 . . . . . . . . 5978 2 185 . 1 1 19 19 PHE CB C 13 39.31 0.02 . 1 . . . . . . . . 5978 2 186 . 1 1 19 19 PHE CD1 C 13 131.48 0.02 . 1 . . . . . . . . 5978 2 187 . 1 1 19 19 PHE CD2 C 13 131.48 0.02 . 1 . . . . . . . . 5978 2 188 . 1 1 19 19 PHE CE1 C 13 131.17 0.02 . 1 . . . . . . . . 5978 2 189 . 1 1 19 19 PHE CE2 C 13 131.17 0.02 . 1 . . . . . . . . 5978 2 190 . 1 1 19 19 PHE CZ C 13 129.43 0.02 . 1 . . . . . . . . 5978 2 191 . 1 1 20 20 LYS H H 1 8.50 0.01 . 1 . . . . . . . . 5978 2 192 . 1 1 20 20 LYS HA H 1 3.75 0.01 . 1 . . . . . . . . 5978 2 193 . 1 1 20 20 LYS HB2 H 1 1.97 0.01 . 2 . . . . . . . . 5978 2 194 . 1 1 20 20 LYS HB3 H 1 1.80 0.01 . 2 . . . . . . . . 5978 2 195 . 1 1 20 20 LYS HG2 H 1 1.39 0.01 . 1 . . . . . . . . 5978 2 196 . 1 1 20 20 LYS HG3 H 1 1.39 0.01 . 1 . . . . . . . . 5978 2 197 . 1 1 20 20 LYS HD2 H 1 1.68 0.01 . 1 . . . . . . . . 5978 2 198 . 1 1 20 20 LYS HD3 H 1 1.68 0.01 . 1 . . . . . . . . 5978 2 199 . 1 1 20 20 LYS HE2 H 1 2.96 0.01 . 1 . . . . . . . . 5978 2 200 . 1 1 20 20 LYS HE3 H 1 2.96 0.01 . 1 . . . . . . . . 5978 2 201 . 1 1 20 20 LYS HZ1 H 1 7.66 0.01 . 1 . . . . . . . . 5978 2 202 . 1 1 20 20 LYS HZ2 H 1 7.66 0.01 . 1 . . . . . . . . 5978 2 203 . 1 1 20 20 LYS HZ3 H 1 7.66 0.01 . 1 . . . . . . . . 5978 2 204 . 1 1 20 20 LYS CA C 13 60.84 0.02 . 1 . . . . . . . . 5978 2 205 . 1 1 20 20 LYS CB C 13 29.57 0.02 . 1 . . . . . . . . 5978 2 206 . 1 1 20 20 LYS CG C 13 26.69 0.02 . 1 . . . . . . . . 5978 2 207 . 1 1 20 20 LYS CD C 13 30.66 0.02 . 1 . . . . . . . . 5978 2 208 . 1 1 20 20 LYS CE C 13 39.64 0.02 . 1 . . . . . . . . 5978 2 209 . 1 1 21 21 THR H H 1 7.80 0.01 . 1 . . . . . . . . 5978 2 210 . 1 1 21 21 THR HA H 1 3.82 0.01 . 1 . . . . . . . . 5978 2 211 . 1 1 21 21 THR HB H 1 4.33 0.01 . 1 . . . . . . . . 5978 2 212 . 1 1 21 21 THR HG21 H 1 1.26 0.01 . 1 . . . . . . . . 5978 2 213 . 1 1 21 21 THR HG22 H 1 1.26 0.01 . 1 . . . . . . . . 5978 2 214 . 1 1 21 21 THR HG23 H 1 1.26 0.01 . 1 . . . . . . . . 5978 2 215 . 1 1 21 21 THR CA C 13 66.61 0.02 . 1 . . . . . . . . 5978 2 216 . 1 1 21 21 THR CB C 13 68.66 0.02 . 1 . . . . . . . . 5978 2 217 . 1 1 21 21 THR CG2 C 13 22.02 0.02 . 1 . . . . . . . . 5978 2 218 . 1 1 22 22 TRP H H 1 7.99 0.01 . 1 . . . . . . . . 5978 2 219 . 1 1 22 22 TRP HA H 1 4.11 0.01 . 1 . . . . . . . . 5978 2 220 . 1 1 22 22 TRP HB2 H 1 3.50 0.01 . 2 . . . . . . . . 5978 2 221 . 1 1 22 22 TRP HB3 H 1 3.31 0.01 . 2 . . . . . . . . 5978 2 222 . 1 1 22 22 TRP HD1 H 1 7.32 0.01 . 1 . . . . . . . . 5978 2 223 . 1 1 22 22 TRP HE1 H 1 9.90 0.01 . 1 . . . . . . . . 5978 2 224 . 1 1 22 22 TRP HE3 H 1 7.25 0.01 . 1 . . . . . . . . 5978 2 225 . 1 1 22 22 TRP HZ2 H 1 7.47 0.01 . 1 . . . . . . . . 5978 2 226 . 1 1 22 22 TRP HZ3 H 1 6.89 0.01 . 1 . . . . . . . . 5978 2 227 . 1 1 22 22 TRP HH2 H 1 7.04 0.01 . 1 . . . . . . . . 5978 2 228 . 1 1 22 22 TRP CA C 13 58.74 0.02 . 1 . . . . . . . . 5978 2 229 . 1 1 22 22 TRP CB C 13 28.84 0.02 . 1 . . . . . . . . 5978 2 230 . 1 1 22 22 TRP CD1 C 13 127.39 0.02 . 1 . . . . . . . . 5978 2 231 . 1 1 22 22 TRP CE3 C 13 120.64 0.02 . 1 . . . . . . . . 5978 2 232 . 1 1 22 22 TRP CZ2 C 13 114.53 0.02 . 1 . . . . . . . . 5978 2 233 . 1 1 22 22 TRP CZ3 C 13 121.23 0.02 . 1 . . . . . . . . 5978 2 234 . 1 1 22 22 TRP CH2 C 13 123.78 0.02 . 1 . . . . . . . . 5978 2 235 . 1 1 23 23 LEU H H 1 8.63 0.01 . 1 . . . . . . . . 5978 2 236 . 1 1 23 23 LEU HA H 1 3.52 0.01 . 1 . . . . . . . . 5978 2 237 . 1 1 23 23 LEU HB2 H 1 1.51 0.01 . 1 . . . . . . . . 5978 2 238 . 1 1 23 23 LEU HB3 H 1 1.51 0.01 . 1 . . . . . . . . 5978 2 239 . 1 1 23 23 LEU HG H 1 1.44 0.01 . 1 . . . . . . . . 5978 2 240 . 1 1 23 23 LEU HD11 H 1 0.86 0.01 . 2 . . . . . . . . 5978 2 241 . 1 1 23 23 LEU HD12 H 1 0.86 0.01 . 2 . . . . . . . . 5978 2 242 . 1 1 23 23 LEU HD13 H 1 0.86 0.01 . 2 . . . . . . . . 5978 2 243 . 1 1 23 23 LEU HD21 H 1 0.76 0.01 . 2 . . . . . . . . 5978 2 244 . 1 1 23 23 LEU HD22 H 1 0.76 0.01 . 2 . . . . . . . . 5978 2 245 . 1 1 23 23 LEU HD23 H 1 0.76 0.01 . 2 . . . . . . . . 5978 2 246 . 1 1 23 23 LEU CA C 13 57.84 0.02 . 1 . . . . . . . . 5978 2 247 . 1 1 23 23 LEU CB C 13 43.34 0.02 . 1 . . . . . . . . 5978 2 248 . 1 1 23 23 LEU CG C 13 27.54 0.02 . 1 . . . . . . . . 5978 2 249 . 1 1 24 24 LYS H H 1 8.12 0.01 . 1 . . . . . . . . 5978 2 250 . 1 1 24 24 LYS HA H 1 3.71 0.01 . 1 . . . . . . . . 5978 2 251 . 1 1 24 24 LYS HB2 H 1 1.84 0.01 . 1 . . . . . . . . 5978 2 252 . 1 1 24 24 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 5978 2 253 . 1 1 24 24 LYS HG2 H 1 1.40 0.01 . 1 . . . . . . . . 5978 2 254 . 1 1 24 24 LYS HG3 H 1 1.40 0.01 . 1 . . . . . . . . 5978 2 255 . 1 1 24 24 LYS HD2 H 1 1.63 0.01 . 1 . . . . . . . . 5978 2 256 . 1 1 24 24 LYS HD3 H 1 1.63 0.01 . 1 . . . . . . . . 5978 2 257 . 1 1 24 24 LYS HE2 H 1 2.93 0.01 . 1 . . . . . . . . 5978 2 258 . 1 1 24 24 LYS HE3 H 1 2.93 0.01 . 1 . . . . . . . . 5978 2 259 . 1 1 24 24 LYS HZ1 H 1 7.65 0.01 . 1 . . . . . . . . 5978 2 260 . 1 1 24 24 LYS HZ2 H 1 7.65 0.01 . 1 . . . . . . . . 5978 2 261 . 1 1 24 24 LYS HZ3 H 1 7.65 0.01 . 1 . . . . . . . . 5978 2 262 . 1 1 24 24 LYS CA C 13 60.13 0.02 . 1 . . . . . . . . 5978 2 263 . 1 1 24 24 LYS CB C 13 29.36 0.02 . 1 . . . . . . . . 5978 2 264 . 1 1 24 24 LYS CE C 13 39.64 0.02 . 1 . . . . . . . . 5978 2 265 . 1 1 25 25 ALA H H 1 7.40 0.01 . 1 . . . . . . . . 5978 2 266 . 1 1 25 25 ALA HA H 1 4.02 0.01 . 1 . . . . . . . . 5978 2 267 . 1 1 25 25 ALA HB1 H 1 1.34 0.01 . 1 . . . . . . . . 5978 2 268 . 1 1 25 25 ALA HB2 H 1 1.34 0.01 . 1 . . . . . . . . 5978 2 269 . 1 1 25 25 ALA HB3 H 1 1.34 0.01 . 1 . . . . . . . . 5978 2 270 . 1 1 25 25 ALA CA C 13 54.11 0.02 . 1 . . . . . . . . 5978 2 271 . 1 1 25 25 ALA CB C 13 18.02 0.02 . 1 . . . . . . . . 5978 2 272 . 1 1 26 26 LYS H H 1 7.46 0.01 . 1 . . . . . . . . 5978 2 273 . 1 1 26 26 LYS HA H 1 3.92 0.01 . 1 . . . . . . . . 5978 2 274 . 1 1 26 26 LYS HB2 H 1 1.38 0.01 . 2 . . . . . . . . 5978 2 275 . 1 1 26 26 LYS HB3 H 1 1.29 0.01 . 2 . . . . . . . . 5978 2 276 . 1 1 26 26 LYS HG2 H 1 0.85 0.01 . 2 . . . . . . . . 5978 2 277 . 1 1 26 26 LYS HG3 H 1 0.62 0.01 . 2 . . . . . . . . 5978 2 278 . 1 1 26 26 LYS HD2 H 1 1.38 0.01 . 1 . . . . . . . . 5978 2 279 . 1 1 26 26 LYS HD3 H 1 1.38 0.01 . 1 . . . . . . . . 5978 2 280 . 1 1 26 26 LYS HE2 H 1 2.79 0.01 . 2 . . . . . . . . 5978 2 281 . 1 1 26 26 LYS HE3 H 1 2.49 0.01 . 2 . . . . . . . . 5978 2 282 . 1 1 26 26 LYS HZ1 H 1 7.45 0.01 . 1 . . . . . . . . 5978 2 283 . 1 1 26 26 LYS HZ2 H 1 7.45 0.01 . 1 . . . . . . . . 5978 2 284 . 1 1 26 26 LYS HZ3 H 1 7.45 0.01 . 1 . . . . . . . . 5978 2 285 . 1 1 26 26 LYS CA C 13 57.98 0.02 . 1 . . . . . . . . 5978 2 286 . 1 1 26 26 LYS CB C 13 32.26 0.02 . 1 . . . . . . . . 5978 2 287 . 1 1 27 27 LEU H H 1 7.66 0.01 . 1 . . . . . . . . 5978 2 288 . 1 1 27 27 LEU HA H 1 4.25 0.01 . 1 . . . . . . . . 5978 2 289 . 1 1 27 27 LEU HB2 H 1 1.62 0.01 . 1 . . . . . . . . 5978 2 290 . 1 1 27 27 LEU HB3 H 1 1.62 0.01 . 1 . . . . . . . . 5978 2 291 . 1 1 27 27 LEU HG H 1 1.51 0.01 . 1 . . . . . . . . 5978 2 292 . 1 1 27 27 LEU HD11 H 1 0.79 0.01 . 1 . . . . . . . . 5978 2 293 . 1 1 27 27 LEU HD12 H 1 0.79 0.01 . 1 . . . . . . . . 5978 2 294 . 1 1 27 27 LEU HD13 H 1 0.79 0.01 . 1 . . . . . . . . 5978 2 295 . 1 1 27 27 LEU HD21 H 1 0.79 0.01 . 1 . . . . . . . . 5978 2 296 . 1 1 27 27 LEU HD22 H 1 0.79 0.01 . 1 . . . . . . . . 5978 2 297 . 1 1 27 27 LEU HD23 H 1 0.79 0.01 . 1 . . . . . . . . 5978 2 298 . 1 1 27 27 LEU CA C 13 55.66 0.02 . 1 . . . . . . . . 5978 2 299 . 1 1 27 27 LEU CB C 13 42.31 0.02 . 1 . . . . . . . . 5978 2 300 . 1 1 28 28 MET H H 1 7.74 0.01 . 1 . . . . . . . . 5978 2 301 . 1 1 28 28 MET HA H 1 4.67 0.01 . 1 . . . . . . . . 5978 2 302 . 1 1 28 28 MET HB2 H 1 2.04 0.01 . 1 . . . . . . . . 5978 2 303 . 1 1 28 28 MET HB3 H 1 1.99 0.01 . 1 . . . . . . . . 5978 2 304 . 1 1 28 28 MET HG2 H 1 2.52 0.01 . 1 . . . . . . . . 5978 2 305 . 1 1 28 28 MET HG3 H 1 2.52 0.01 . 1 . . . . . . . . 5978 2 306 . 1 1 28 28 MET CA C 13 54.26 0.02 . 1 . . . . . . . . 5978 2 307 . 1 1 28 28 MET CB C 13 32.52 0.02 . 1 . . . . . . . . 5978 2 308 . 1 1 28 28 MET CG C 13 27.52 0.02 . 1 . . . . . . . . 5978 2 309 . 1 1 28 28 MET CE C 13 17.26 0.02 . 1 . . . . . . . . 5978 2 310 . 1 1 29 29 PRO HA H 1 4.39 0.01 . 1 . . . . . . . . 5978 2 311 . 1 1 29 29 PRO HB2 H 1 2.27 0.01 . 2 . . . . . . . . 5978 2 312 . 1 1 29 29 PRO HB3 H 1 1.81 0.01 . 2 . . . . . . . . 5978 2 313 . 1 1 29 29 PRO HG2 H 1 1.93 0.01 . 1 . . . . . . . . 5978 2 314 . 1 1 29 29 PRO HG3 H 1 1.93 0.01 . 1 . . . . . . . . 5978 2 315 . 1 1 29 29 PRO HD2 H 1 3.77 0.01 . 2 . . . . . . . . 5978 2 316 . 1 1 29 29 PRO HD3 H 1 3.56 0.01 . 2 . . . . . . . . 5978 2 317 . 1 1 29 29 PRO CA C 13 63.76 0.02 . 1 . . . . . . . . 5978 2 318 . 1 1 29 29 PRO CB C 13 28.78 0.02 . 1 . . . . . . . . 5978 2 319 . 1 1 29 29 PRO CG C 13 27.41 0.02 . 1 . . . . . . . . 5978 2 320 . 1 1 29 29 PRO CD C 13 50.66 0.02 . 1 . . . . . . . . 5978 2 321 . 1 1 30 30 GLN H H 1 8.30 0.01 . 1 . . . . . . . . 5978 2 322 . 1 1 30 30 GLN HA H 1 4.31 0.01 . 1 . . . . . . . . 5978 2 323 . 1 1 30 30 GLN HB2 H 1 2.11 0.01 . 2 . . . . . . . . 5978 2 324 . 1 1 30 30 GLN HB3 H 1 1.93 0.01 . 2 . . . . . . . . 5978 2 325 . 1 1 30 30 GLN HG2 H 1 2.33 0.01 . 1 . . . . . . . . 5978 2 326 . 1 1 30 30 GLN HG3 H 1 2.33 0.01 . 1 . . . . . . . . 5978 2 327 . 1 1 30 30 GLN HE21 H 1 7.47 0.01 . 2 . . . . . . . . 5978 2 328 . 1 1 30 30 GLN HE22 H 1 6.69 0.01 . 2 . . . . . . . . 5978 2 329 . 1 1 30 30 GLN CA C 13 55.53 0.02 . 1 . . . . . . . . 5978 2 330 . 1 1 30 30 GLN CB C 13 29.18 0.02 . 1 . . . . . . . . 5978 2 331 . 1 1 30 30 GLN CG C 13 33.76 0.02 . 1 . . . . . . . . 5978 2 332 . 1 1 31 31 LEU H H 1 7.65 0.01 . 1 . . . . . . . . 5978 2 333 . 1 1 31 31 LEU HA H 1 4.16 0.01 . 1 . . . . . . . . 5978 2 334 . 1 1 31 31 LEU HB2 H 1 1.55 0.01 . 1 . . . . . . . . 5978 2 335 . 1 1 31 31 LEU HB3 H 1 1.55 0.01 . 1 . . . . . . . . 5978 2 336 . 1 1 31 31 LEU HG H 1 1.55 0.01 . 1 . . . . . . . . 5978 2 337 . 1 1 31 31 LEU HD11 H 1 0.85 0.01 . 1 . . . . . . . . 5978 2 338 . 1 1 31 31 LEU HD12 H 1 0.85 0.01 . 1 . . . . . . . . 5978 2 339 . 1 1 31 31 LEU HD13 H 1 0.85 0.01 . 1 . . . . . . . . 5978 2 340 . 1 1 31 31 LEU HD21 H 1 0.81 0.01 . 1 . . . . . . . . 5978 2 341 . 1 1 31 31 LEU HD22 H 1 0.81 0.01 . 1 . . . . . . . . 5978 2 342 . 1 1 31 31 LEU HD23 H 1 0.81 0.01 . 1 . . . . . . . . 5978 2 343 . 1 1 31 31 LEU CA C 13 56.61 0.02 . 1 . . . . . . . . 5978 2 344 . 1 1 31 31 LEU CB C 13 43.34 0.02 . 1 . . . . . . . . 5978 2 stop_ save_ save_chemical_shift_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_3 _Assigned_chem_shift_list.Entry_ID 5978 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $condition_dpc _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . . 3 $Sample_dpc . 5978 3 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 4 4 TRP HA H 1 4.51 0.01 . 1 . . . . . . . . 5978 3 2 . 1 1 4 4 TRP HB2 H 1 3.42 0.01 . 1 . . . . . . . . 5978 3 3 . 1 1 4 4 TRP HB3 H 1 3.42 0.01 . 1 . . . . . . . . 5978 3 4 . 1 1 4 4 TRP HD1 H 1 7.44 0.01 . 1 . . . . . . . . 5978 3 5 . 1 1 4 4 TRP HE1 H 1 10.51 0.01 . 1 . . . . . . . . 5978 3 6 . 1 1 4 4 TRP HE3 H 1 7.51 0.01 . 1 . . . . . . . . 5978 3 7 . 1 1 5 5 LEU H H 1 7.27 0.01 . 1 . . . . . . . . 5978 3 8 . 1 1 5 5 LEU HA H 1 3.80 0.01 . 1 . . . . . . . . 5978 3 9 . 1 1 5 5 LEU HB2 H 1 1.36 0.01 . 1 . . . . . . . . 5978 3 10 . 1 1 5 5 LEU HB3 H 1 1.36 0.01 . 1 . . . . . . . . 5978 3 11 . 1 1 5 5 LEU HG H 1 1.27 0.01 . 1 . . . . . . . . 5978 3 12 . 1 1 5 5 LEU HD11 H 1 0.82 0.01 . 2 . . . . . . . . 5978 3 13 . 1 1 5 5 LEU HD12 H 1 0.82 0.01 . 2 . . . . . . . . 5978 3 14 . 1 1 5 5 LEU HD13 H 1 0.82 0.01 . 2 . . . . . . . . 5978 3 15 . 1 1 5 5 LEU HD21 H 1 0.68 0.01 . 2 . . . . . . . . 5978 3 16 . 1 1 5 5 LEU HD22 H 1 0.68 0.01 . 2 . . . . . . . . 5978 3 17 . 1 1 5 5 LEU HD23 H 1 0.68 0.01 . 2 . . . . . . . . 5978 3 18 . 1 1 6 6 ARG H H 1 7.59 0.01 . 1 . . . . . . . . 5978 3 19 . 1 1 6 6 ARG HA H 1 4.03 0.01 . 1 . . . . . . . . 5978 3 20 . 1 1 6 6 ARG HB2 H 1 1.93 0.01 . 1 . . . . . . . . 5978 3 21 . 1 1 6 6 ARG HB3 H 1 1.93 0.01 . 1 . . . . . . . . 5978 3 22 . 1 1 6 6 ARG HG2 H 1 1.79 0.01 . 1 . . . . . . . . 5978 3 23 . 1 1 6 6 ARG HG3 H 1 1.79 0.01 . 1 . . . . . . . . 5978 3 24 . 1 1 6 6 ARG HD2 H 1 3.30 0.01 . 1 . . . . . . . . 5978 3 25 . 1 1 6 6 ARG HD3 H 1 3.30 0.01 . 1 . . . . . . . . 5978 3 26 . 1 1 7 7 ASP H H 1 8.07 0.01 . 1 . . . . . . . . 5978 3 27 . 1 1 7 7 ASP HA H 1 4.49 0.01 . 1 . . . . . . . . 5978 3 28 . 1 1 7 7 ASP HB2 H 1 2.90 0.01 . 2 . . . . . . . . 5978 3 29 . 1 1 7 7 ASP HB3 H 1 2.64 0.01 . 2 . . . . . . . . 5978 3 30 . 1 1 8 8 ILE H H 1 8.02 0.01 . 1 . . . . . . . . 5978 3 31 . 1 1 8 8 ILE HA H 1 4.03 0.01 . 1 . . . . . . . . 5978 3 32 . 1 1 8 8 ILE HB H 1 2.02 0.01 . 1 . . . . . . . . 5978 3 33 . 1 1 8 8 ILE HG12 H 1 1.12 0.01 . 2 . . . . . . . . 5978 3 34 . 1 1 8 8 ILE HG13 H 1 1.00 0.01 . 2 . . . . . . . . 5978 3 35 . 1 1 8 8 ILE HG21 H 1 0.87 0.01 . 1 . . . . . . . . 5978 3 36 . 1 1 8 8 ILE HG22 H 1 0.87 0.01 . 1 . . . . . . . . 5978 3 37 . 1 1 8 8 ILE HG23 H 1 0.87 0.01 . 1 . . . . . . . . 5978 3 38 . 1 1 8 8 ILE HD11 H 1 0.72 0.01 . 1 . . . . . . . . 5978 3 39 . 1 1 8 8 ILE HD12 H 1 0.72 0.01 . 1 . . . . . . . . 5978 3 40 . 1 1 8 8 ILE HD13 H 1 0.72 0.01 . 1 . . . . . . . . 5978 3 41 . 1 1 9 9 TRP H H 1 8.25 0.01 . 1 . . . . . . . . 5978 3 42 . 1 1 9 9 TRP HA H 1 4.48 0.01 . 1 . . . . . . . . 5978 3 43 . 1 1 9 9 TRP HB2 H 1 3.49 0.01 . 2 . . . . . . . . 5978 3 44 . 1 1 9 9 TRP HB3 H 1 3.35 0.01 . 2 . . . . . . . . 5978 3 45 . 1 1 9 9 TRP HD1 H 1 7.25 0.01 . 1 . . . . . . . . 5978 3 46 . 1 1 9 9 TRP HE1 H 1 10.26 0.01 . 1 . . . . . . . . 5978 3 47 . 1 1 9 9 TRP HE3 H 1 7.41 0.01 . 1 . . . . . . . . 5978 3 48 . 1 1 10 10 ASP H H 1 8.74 0.01 . 1 . . . . . . . . 5978 3 49 . 1 1 10 10 ASP HA H 1 4.19 0.01 . 1 . . . . . . . . 5978 3 50 . 1 1 10 10 ASP HB2 H 1 2.87 0.01 . 2 . . . . . . . . 5978 3 51 . 1 1 10 10 ASP HB3 H 1 2.70 0.01 . 2 . . . . . . . . 5978 3 52 . 1 1 11 11 TRP H H 1 7.83 0.01 . 1 . . . . . . . . 5978 3 53 . 1 1 11 11 TRP HA H 1 4.36 0.01 . 1 . . . . . . . . 5978 3 54 . 1 1 11 11 TRP HB2 H 1 3.62 0.01 . 2 . . . . . . . . 5978 3 55 . 1 1 11 11 TRP HB3 H 1 3.34 0.01 . 2 . . . . . . . . 5978 3 56 . 1 1 11 11 TRP HD1 H 1 7.35 0.01 . 1 . . . . . . . . 5978 3 57 . 1 1 11 11 TRP HE1 H 1 10.51 0.01 . 1 . . . . . . . . 5978 3 58 . 1 1 11 11 TRP HE3 H 1 7.60 0.01 . 1 . . . . . . . . 5978 3 59 . 1 1 11 11 TRP HZ3 H 1 6.85 0.01 . 1 . . . . . . . . 5978 3 60 . 1 1 11 11 TRP HH2 H 1 6.99 0.01 . 1 . . . . . . . . 5978 3 61 . 1 1 12 12 ILE H H 1 8.70 0.01 . 1 . . . . . . . . 5978 3 62 . 1 1 12 12 ILE HA H 1 3.17 0.01 . 1 . . . . . . . . 5978 3 63 . 1 1 12 12 ILE HB H 1 1.97 0.01 . 1 . . . . . . . . 5978 3 64 . 1 1 12 12 ILE HG12 H 1 1.12 0.01 . 2 . . . . . . . . 5978 3 65 . 1 1 12 12 ILE HG13 H 1 1.00 0.01 . 2 . . . . . . . . 5978 3 66 . 1 1 12 12 ILE HG21 H 1 0.74 0.01 . 1 . . . . . . . . 5978 3 67 . 1 1 12 12 ILE HG22 H 1 0.74 0.01 . 1 . . . . . . . . 5978 3 68 . 1 1 12 12 ILE HG23 H 1 0.74 0.01 . 1 . . . . . . . . 5978 3 69 . 1 1 12 12 ILE HD11 H 1 0.88 0.01 . 1 . . . . . . . . 5978 3 70 . 1 1 12 12 ILE HD12 H 1 0.88 0.01 . 1 . . . . . . . . 5978 3 71 . 1 1 12 12 ILE HD13 H 1 0.88 0.01 . 1 . . . . . . . . 5978 3 72 . 1 1 13 13 CYS H H 1 7.96 0.01 . 1 . . . . . . . . 5978 3 73 . 1 1 13 13 CYS HA H 1 3.63 0.01 . 1 . . . . . . . . 5978 3 74 . 1 1 13 13 CYS HB2 H 1 2.72 0.01 . 2 . . . . . . . . 5978 3 75 . 1 1 13 13 CYS HB3 H 1 2.35 0.01 . 2 . . . . . . . . 5978 3 76 . 1 1 14 14 GLU H H 1 7.61 0.01 . 1 . . . . . . . . 5978 3 77 . 1 1 14 14 GLU HA H 1 3.96 0.01 . 1 . . . . . . . . 5978 3 78 . 1 1 14 14 GLU HB2 H 1 2.08 0.01 . 1 . . . . . . . . 5978 3 79 . 1 1 14 14 GLU HB3 H 1 2.08 0.01 . 1 . . . . . . . . 5978 3 80 . 1 1 14 14 GLU HG2 H 1 2.34 0.01 . 1 . . . . . . . . 5978 3 81 . 1 1 14 14 GLU HG3 H 1 2.34 0.01 . 1 . . . . . . . . 5978 3 82 . 1 1 15 15 VAL H H 1 7.94 0.01 . 1 . . . . . . . . 5978 3 83 . 1 1 15 15 VAL HA H 1 3.69 0.01 . 1 . . . . . . . . 5978 3 84 . 1 1 15 15 VAL HB H 1 1.70 0.01 . 1 . . . . . . . . 5978 3 85 . 1 1 15 15 VAL HG11 H 1 0.54 0.01 . 1 . . . . . . . . 5978 3 86 . 1 1 15 15 VAL HG12 H 1 0.54 0.01 . 1 . . . . . . . . 5978 3 87 . 1 1 15 15 VAL HG13 H 1 0.54 0.01 . 1 . . . . . . . . 5978 3 88 . 1 1 15 15 VAL HG21 H 1 0.25 0.01 . 1 . . . . . . . . 5978 3 89 . 1 1 15 15 VAL HG22 H 1 0.25 0.01 . 1 . . . . . . . . 5978 3 90 . 1 1 15 15 VAL HG23 H 1 0.25 0.01 . 1 . . . . . . . . 5978 3 91 . 1 1 16 16 LEU H H 1 8.12 0.01 . 1 . . . . . . . . 5978 3 92 . 1 1 16 16 LEU HA H 1 4.13 0.01 . 1 . . . . . . . . 5978 3 93 . 1 1 16 16 LEU HB2 H 1 1.77 0.01 . 1 . . . . . . . . 5978 3 94 . 1 1 16 16 LEU HB3 H 1 1.77 0.01 . 1 . . . . . . . . 5978 3 95 . 1 1 16 16 LEU HG H 1 1.57 0.01 . 1 . . . . . . . . 5978 3 96 . 1 1 16 16 LEU HD11 H 1 0.74 0.01 . 1 . . . . . . . . 5978 3 97 . 1 1 16 16 LEU HD12 H 1 0.74 0.01 . 1 . . . . . . . . 5978 3 98 . 1 1 16 16 LEU HD13 H 1 0.74 0.01 . 1 . . . . . . . . 5978 3 99 . 1 1 16 16 LEU HD21 H 1 0.74 0.01 . 1 . . . . . . . . 5978 3 100 . 1 1 16 16 LEU HD22 H 1 0.74 0.01 . 1 . . . . . . . . 5978 3 101 . 1 1 16 16 LEU HD23 H 1 0.74 0.01 . 1 . . . . . . . . 5978 3 102 . 1 1 17 17 SER H H 1 7.77 0.01 . 1 . . . . . . . . 5978 3 103 . 1 1 17 17 SER HA H 1 4.00 0.01 . 1 . . . . . . . . 5978 3 104 . 1 1 17 17 SER HB2 H 1 3.83 0.01 . 1 . . . . . . . . 5978 3 105 . 1 1 17 17 SER HB3 H 1 3.83 0.01 . 1 . . . . . . . . 5978 3 106 . 1 1 18 18 ASP HA H 1 4.51 0.01 . 1 . . . . . . . . 5978 3 107 . 1 1 18 18 ASP HB2 H 1 2.74 0.01 . 2 . . . . . . . . 5978 3 108 . 1 1 18 18 ASP HB3 H 1 2.60 0.01 . 2 . . . . . . . . 5978 3 109 . 1 1 19 19 PHE H H 1 8.46 0.01 . 1 . . . . . . . . 5978 3 110 . 1 1 19 19 PHE HA H 1 4.47 0.01 . 1 . . . . . . . . 5978 3 111 . 1 1 19 19 PHE HB2 H 1 3.26 0.01 . 1 . . . . . . . . 5978 3 112 . 1 1 19 19 PHE HB3 H 1 3.26 0.01 . 1 . . . . . . . . 5978 3 113 . 1 1 19 19 PHE HD1 H 1 6.95 0.01 . 1 . . . . . . . . 5978 3 114 . 1 1 19 19 PHE HD2 H 1 6.95 0.01 . 1 . . . . . . . . 5978 3 115 . 1 1 19 19 PHE HE1 H 1 7.15 0.01 . 1 . . . . . . . . 5978 3 116 . 1 1 19 19 PHE HE2 H 1 7.15 0.01 . 1 . . . . . . . . 5978 3 117 . 1 1 20 20 LYS H H 1 8.48 0.01 . 1 . . . . . . . . 5978 3 118 . 1 1 20 20 LYS HA H 1 3.78 0.01 . 1 . . . . . . . . 5978 3 119 . 1 1 20 20 LYS HB2 H 1 2.09 0.01 . 1 . . . . . . . . 5978 3 120 . 1 1 20 20 LYS HB3 H 1 2.09 0.01 . 1 . . . . . . . . 5978 3 121 . 1 1 20 20 LYS HG2 H 1 1.42 0.01 . 1 . . . . . . . . 5978 3 122 . 1 1 20 20 LYS HG3 H 1 1.42 0.01 . 1 . . . . . . . . 5978 3 123 . 1 1 20 20 LYS HD2 H 1 1.59 0.01 . 1 . . . . . . . . 5978 3 124 . 1 1 20 20 LYS HD3 H 1 1.59 0.01 . 1 . . . . . . . . 5978 3 125 . 1 1 20 20 LYS HE2 H 1 3.01 0.01 . 1 . . . . . . . . 5978 3 126 . 1 1 20 20 LYS HE3 H 1 3.01 0.01 . 1 . . . . . . . . 5978 3 127 . 1 1 21 21 THR H H 1 8.02 0.01 . 1 . . . . . . . . 5978 3 128 . 1 1 21 21 THR HA H 1 3.83 0.01 . 1 . . . . . . . . 5978 3 129 . 1 1 21 21 THR HB H 1 4.37 0.01 . 1 . . . . . . . . 5978 3 130 . 1 1 21 21 THR HG21 H 1 1.30 0.01 . 1 . . . . . . . . 5978 3 131 . 1 1 21 21 THR HG22 H 1 1.30 0.01 . 1 . . . . . . . . 5978 3 132 . 1 1 21 21 THR HG23 H 1 1.30 0.01 . 1 . . . . . . . . 5978 3 133 . 1 1 22 22 TRP H H 1 8.02 0.01 . 1 . . . . . . . . 5978 3 134 . 1 1 22 22 TRP HA H 1 4.21 0.01 . 1 . . . . . . . . 5978 3 135 . 1 1 22 22 TRP HB2 H 1 3.51 0.01 . 2 . . . . . . . . 5978 3 136 . 1 1 22 22 TRP HB3 H 1 3.34 0.01 . 2 . . . . . . . . 5978 3 137 . 1 1 22 22 TRP HD1 H 1 7.34 0.01 . 1 . . . . . . . . 5978 3 138 . 1 1 22 22 TRP HE1 H 1 10.51 0.01 . 1 . . . . . . . . 5978 3 139 . 1 1 22 22 TRP HE3 H 1 7.28 0.01 . 1 . . . . . . . . 5978 3 140 . 1 1 22 22 TRP HZ3 H 1 6.86 0.01 . 1 . . . . . . . . 5978 3 141 . 1 1 22 22 TRP HH2 H 1 7.05 0.01 . 1 . . . . . . . . 5978 3 142 . 1 1 23 23 LEU H H 1 8.64 0.01 . 1 . . . . . . . . 5978 3 143 . 1 1 23 23 LEU HA H 1 3.52 0.01 . 1 . . . . . . . . 5978 3 144 . 1 1 23 23 LEU HB2 H 1 1.59 0.01 . 1 . . . . . . . . 5978 3 145 . 1 1 23 23 LEU HB3 H 1 1.59 0.01 . 1 . . . . . . . . 5978 3 146 . 1 1 23 23 LEU HG H 1 1.42 0.01 . 1 . . . . . . . . 5978 3 147 . 1 1 23 23 LEU HD11 H 1 0.83 0.01 . 2 . . . . . . . . 5978 3 148 . 1 1 23 23 LEU HD12 H 1 0.83 0.01 . 2 . . . . . . . . 5978 3 149 . 1 1 23 23 LEU HD13 H 1 0.83 0.01 . 2 . . . . . . . . 5978 3 150 . 1 1 23 23 LEU HD21 H 1 0.76 0.01 . 2 . . . . . . . . 5978 3 151 . 1 1 23 23 LEU HD22 H 1 0.76 0.01 . 2 . . . . . . . . 5978 3 152 . 1 1 23 23 LEU HD23 H 1 0.76 0.01 . 2 . . . . . . . . 5978 3 153 . 1 1 24 24 LYS H H 1 8.19 0.01 . 1 . . . . . . . . 5978 3 154 . 1 1 24 24 LYS HA H 1 3.73 0.01 . 1 . . . . . . . . 5978 3 155 . 1 1 24 24 LYS HB2 H 1 1.88 0.01 . 1 . . . . . . . . 5978 3 156 . 1 1 24 24 LYS HB3 H 1 1.88 0.01 . 1 . . . . . . . . 5978 3 157 . 1 1 24 24 LYS HG2 H 1 1.49 0.01 . 2 . . . . . . . . 5978 3 158 . 1 1 24 24 LYS HG3 H 1 1.68 0.01 . 2 . . . . . . . . 5978 3 159 . 1 1 24 24 LYS HD2 H 1 1.75 0.01 . 1 . . . . . . . . 5978 3 160 . 1 1 24 24 LYS HD3 H 1 1.75 0.01 . 1 . . . . . . . . 5978 3 161 . 1 1 24 24 LYS HE2 H 1 3.01 0.01 . 1 . . . . . . . . 5978 3 162 . 1 1 24 24 LYS HE3 H 1 3.01 0.01 . 1 . . . . . . . . 5978 3 163 . 1 1 25 25 ALA H H 1 7.45 0.01 . 1 . . . . . . . . 5978 3 164 . 1 1 25 25 ALA HA H 1 4.05 0.01 . 1 . . . . . . . . 5978 3 165 . 1 1 25 25 ALA HB1 H 1 1.40 0.01 . 1 . . . . . . . . 5978 3 166 . 1 1 25 25 ALA HB2 H 1 1.40 0.01 . 1 . . . . . . . . 5978 3 167 . 1 1 25 25 ALA HB3 H 1 1.40 0.01 . 1 . . . . . . . . 5978 3 168 . 1 1 26 26 LYS H H 1 7.51 0.01 . 1 . . . . . . . . 5978 3 169 . 1 1 26 26 LYS HA H 1 4.01 0.01 . 1 . . . . . . . . 5978 3 170 . 1 1 26 26 LYS HB2 H 1 1.37 0.01 . 1 . . . . . . . . 5978 3 171 . 1 1 26 26 LYS HB3 H 1 1.37 0.01 . 1 . . . . . . . . 5978 3 172 . 1 1 26 26 LYS HG2 H 1 0.62 0.01 . 1 . . . . . . . . 5978 3 173 . 1 1 26 26 LYS HG3 H 1 0.62 0.01 . 1 . . . . . . . . 5978 3 174 . 1 1 26 26 LYS HD2 H 1 0.87 0.01 . 1 . . . . . . . . 5978 3 175 . 1 1 26 26 LYS HD3 H 1 0.87 0.01 . 1 . . . . . . . . 5978 3 176 . 1 1 26 26 LYS HE2 H 1 2.59 0.01 . 2 . . . . . . . . 5978 3 177 . 1 1 26 26 LYS HE3 H 1 2.48 0.01 . 2 . . . . . . . . 5978 3 178 . 1 1 27 27 LEU H H 1 7.69 0.01 . 1 . . . . . . . . 5978 3 179 . 1 1 27 27 LEU HA H 1 4.29 0.01 . 1 . . . . . . . . 5978 3 180 . 1 1 27 27 LEU HB2 H 1 1.64 0.01 . 1 . . . . . . . . 5978 3 181 . 1 1 27 27 LEU HB3 H 1 1.64 0.01 . 1 . . . . . . . . 5978 3 182 . 1 1 27 27 LEU HG H 1 1.51 0.01 . 1 . . . . . . . . 5978 3 183 . 1 1 27 27 LEU HD11 H 1 0.81 0.01 . 1 . . . . . . . . 5978 3 184 . 1 1 27 27 LEU HD12 H 1 0.81 0.01 . 1 . . . . . . . . 5978 3 185 . 1 1 27 27 LEU HD13 H 1 0.81 0.01 . 1 . . . . . . . . 5978 3 186 . 1 1 27 27 LEU HD21 H 1 0.81 0.01 . 1 . . . . . . . . 5978 3 187 . 1 1 27 27 LEU HD22 H 1 0.81 0.01 . 1 . . . . . . . . 5978 3 188 . 1 1 27 27 LEU HD23 H 1 0.81 0.01 . 1 . . . . . . . . 5978 3 189 . 1 1 28 28 MET H H 1 7.80 0.01 . 1 . . . . . . . . 5978 3 190 . 1 1 28 28 MET HA H 1 4.63 0.01 . 1 . . . . . . . . 5978 3 191 . 1 1 28 28 MET HB2 H 1 2.09 0.01 . 2 . . . . . . . . 5978 3 192 . 1 1 28 28 MET HB3 H 1 2.02 0.01 . 2 . . . . . . . . 5978 3 193 . 1 1 28 28 MET HG2 H 1 2.56 0.01 . 1 . . . . . . . . 5978 3 194 . 1 1 28 28 MET HG3 H 1 2.56 0.01 . 1 . . . . . . . . 5978 3 195 . 1 1 29 29 PRO HA H 1 4.41 0.01 . 1 . . . . . . . . 5978 3 196 . 1 1 29 29 PRO HB2 H 1 1.95 0.01 . 2 . . . . . . . . 5978 3 197 . 1 1 29 29 PRO HB3 H 1 1.85 0.01 . 2 . . . . . . . . 5978 3 198 . 1 1 29 29 PRO HG2 H 1 2.30 0.01 . 1 . . . . . . . . 5978 3 199 . 1 1 29 29 PRO HG3 H 1 2.30 0.01 . 1 . . . . . . . . 5978 3 200 . 1 1 29 29 PRO HD2 H 1 3.77 0.01 . 2 . . . . . . . . 5978 3 201 . 1 1 29 29 PRO HD3 H 1 3.65 0.01 . 2 . . . . . . . . 5978 3 202 . 1 1 30 30 GLN H H 1 8.31 0.01 . 1 . . . . . . . . 5978 3 203 . 1 1 30 30 GLN HA H 1 4.32 0.01 . 1 . . . . . . . . 5978 3 204 . 1 1 30 30 GLN HB2 H 1 2.15 0.01 . 2 . . . . . . . . 5978 3 205 . 1 1 30 30 GLN HB3 H 1 2.05 0.01 . 2 . . . . . . . . 5978 3 206 . 1 1 30 30 GLN HG2 H 1 2.34 0.01 . 1 . . . . . . . . 5978 3 207 . 1 1 30 30 GLN HG3 H 1 2.34 0.01 . 1 . . . . . . . . 5978 3 208 . 1 1 30 30 GLN HE21 H 1 7.43 0.01 . 2 . . . . . . . . 5978 3 209 . 1 1 30 30 GLN HE22 H 1 6.67 0.01 . 2 . . . . . . . . 5978 3 210 . 1 1 31 31 LEU H H 1 8.31 0.01 . 1 . . . . . . . . 5978 3 211 . 1 1 31 31 LEU HA H 1 4.45 0.01 . 1 . . . . . . . . 5978 3 212 . 1 1 31 31 LEU HB2 H 1 1.59 0.01 . 1 . . . . . . . . 5978 3 213 . 1 1 31 31 LEU HB3 H 1 1.59 0.01 . 1 . . . . . . . . 5978 3 214 . 1 1 31 31 LEU HG H 1 1.71 0.01 . 1 . . . . . . . . 5978 3 215 . 1 1 31 31 LEU HD11 H 1 0.89 0.01 . 1 . . . . . . . . 5978 3 216 . 1 1 31 31 LEU HD12 H 1 0.89 0.01 . 1 . . . . . . . . 5978 3 217 . 1 1 31 31 LEU HD13 H 1 0.89 0.01 . 1 . . . . . . . . 5978 3 218 . 1 1 31 31 LEU HD21 H 1 0.84 0.01 . 1 . . . . . . . . 5978 3 219 . 1 1 31 31 LEU HD22 H 1 0.84 0.01 . 1 . . . . . . . . 5978 3 220 . 1 1 31 31 LEU HD23 H 1 0.84 0.01 . 1 . . . . . . . . 5978 3 stop_ save_