data_6757 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6757 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . ; NMR structure and molecular dynamics of the in-plane membrane anchor domain of the NonStructural Protein 5A (NS5A) from Bovine Viral Diarrhea Virus (BVDV) ; 'Structure analysis' ; This study concerns the 3D structure analysis of the [1-28] N-terminal sequence of NS5A in 50% TFE or 100 mM SDS. ; 6757 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'in-plane membrane anchor domain' 6757 1 . 'liquid NMR' 6757 1 . 'micellar SDS' 6757 1 . 'water:TFE mixture' 6757 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6757 _Entry.Title ; 1H and 13C Chemical Shift assignments for BVDV NS5A membrane anchor sequence [1-28] ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-02 _Entry.Accession_date 2005-08-02 _Entry.Last_release_date 2006-04-24 _Entry.Original_release_date 2006-04-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'NMR structure of the in-plane anchor domain [1-28] of BVDV NS5A' _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 Nicolas Sapay . . . 6757 2 Roland Montserret . . . 6757 3 Francois Penin . . . 6757 4 Gilbert Deleage . . . 6757 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'IFR128-Lyon, Gerland' . 6757 . . 'University Lyon 1' . 6757 . . CNRS . 6757 . . IBCP . 6757 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6757 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 203 6757 '1H chemical shifts' 452 6757 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 . . 2006-04-24 2005-08-02 original author . 6757 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6757 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16475810 _Citation.Full_citation . _Citation.Title ; NMR Structure and Molecular Dynamics of the In-Plane Membrane Anchor of Nonstructural Protein 5A from Bovine Viral Diarrhea Virus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2221 _Citation.Page_last 2233 _Citation.Year 2006 _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 Nicolas Sapay . . . 6757 1 2 Roland Montserret . . . 6757 1 3 Christophe Chipot . . . 6757 1 4 Volker Brass . . . 6757 1 5 Darius Moradpour . . . 6757 1 6 Gilbert Deleage . . . 6757 1 7 Francois Penin . . . 6757 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'amphipathic alpha-helix' 6757 1 'in-plane membrane anchor domain' 6757 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6757 _Assembly.ID 1 _Assembly.Name 'membrane anchor domain of BVDV NS5A' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 3199.79 _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 protein 6757 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 'membrane anchor domain of BVDV NS5A' 1 $BVDV_NS5A-1-28 . . yes native no no . . . 6757 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 2AJJ . . NMR . . . 6757 1 . PDB 2AJM . . NMR . . . 6757 1 . PDB 2AJN . . NMR . . . 6757 1 . PDB 2AJO . . NMR . . . 6757 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'membrane anchor domain' 6757 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 'amphipathic helix' 6757 1 'in-plane membrane anchor domain' 6757 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BVDV_NS5A-1-28 _Entity.Sf_category entity _Entity.Sf_framecode BVDV_NS5A-1-28 _Entity.Entry_ID 6757 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'BVDV NS5A[1-28]' _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 ; SGNYVLDLIYSLHKQINRGL KKIVLGWA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 28 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3199.79 _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 2AJJ . "Nmr Structure Of The In-Plane Membrane Anchor Domain [1-28] Of The Monotopic Non Structural Protein 5a (Ns5a) Of Bovine Viral D" . . . . . 100.00 28 100.00 100.00 9.13e-10 . . . . 6757 1 2 no PDB 2AJM . "Nmr Structure Of The In-Plane Membrane Anchor Domain [1-28] Of The Monotopic Nonstructural Protein 5a (Ns5a) From The Bovine Vi" . . . . . 100.00 28 100.00 100.00 9.13e-10 . . . . 6757 1 3 no PDB 2AJN . "Nmr Structure Of The In-Plane Membrane Anchor Domain [1-28] Of The Monotopic Nonstructural Protein 5a (Ns5a) From The Bovine Vi" . . . . . 100.00 28 100.00 100.00 9.13e-10 . . . . 6757 1 4 no PDB 2AJO . "Nmr Structure Of The In-Plane Membrane Anchor Domain [1-28] Of The Monotopic Nonstructural Protein 5a (Ns5a) From The Bovine Vi" . . . . . 100.00 28 100.00 100.00 9.13e-10 . . . . 6757 1 5 no GB AAC55984 . "polyprotein [Bovine viral diarrhea virus 1-CP7]" . . . . . 100.00 3907 100.00 100.00 1.22e-09 . . . . 6757 1 6 no GB AAG00378 . "polyprotein [Bovine viral diarrhea virus 1]" . . . . . 100.00 3907 100.00 100.00 1.22e-09 . . . . 6757 1 7 no GB AHG94955 . "polyprotein [Bovine viral diarrhea virus 1]" . . . . . 100.00 3898 100.00 100.00 1.40e-09 . . . . 6757 1 8 no SP Q96662 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=N-terminal protease; Short=N-pro; AltName: Full=Autoprotease p20; Con" . . . . . 100.00 3907 100.00 100.00 1.22e-09 . . . . 6757 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'membrane anchor' 6757 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'BVDV NS5A[1-28]' . 6757 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'amphipathic alpha-helix' 6757 1 'in-plane membrane anchor domain' 6757 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 . 6757 1 2 . GLY . 6757 1 3 . ASN . 6757 1 4 . TYR . 6757 1 5 . VAL . 6757 1 6 . LEU . 6757 1 7 . ASP . 6757 1 8 . LEU . 6757 1 9 . ILE . 6757 1 10 . TYR . 6757 1 11 . SER . 6757 1 12 . LEU . 6757 1 13 . HIS . 6757 1 14 . LYS . 6757 1 15 . GLN . 6757 1 16 . ILE . 6757 1 17 . ASN . 6757 1 18 . ARG . 6757 1 19 . GLY . 6757 1 20 . LEU . 6757 1 21 . LYS . 6757 1 22 . LYS . 6757 1 23 . ILE . 6757 1 24 . VAL . 6757 1 25 . LEU . 6757 1 26 . GLY . 6757 1 27 . TRP . 6757 1 28 . ALA . 6757 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 6757 1 . GLY 2 2 6757 1 . ASN 3 3 6757 1 . TYR 4 4 6757 1 . VAL 5 5 6757 1 . LEU 6 6 6757 1 . ASP 7 7 6757 1 . LEU 8 8 6757 1 . ILE 9 9 6757 1 . TYR 10 10 6757 1 . SER 11 11 6757 1 . LEU 12 12 6757 1 . HIS 13 13 6757 1 . LYS 14 14 6757 1 . GLN 15 15 6757 1 . ILE 16 16 6757 1 . ASN 17 17 6757 1 . ARG 18 18 6757 1 . GLY 19 19 6757 1 . LEU 20 20 6757 1 . LYS 21 21 6757 1 . LYS 22 22 6757 1 . ILE 23 23 6757 1 . VAL 24 24 6757 1 . LEU 25 25 6757 1 . GLY 26 26 6757 1 . TRP 27 27 6757 1 . ALA 28 28 6757 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 6757 _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 $BVDV_NS5A-1-28 . 268305 virus no . 'Bovine Viral Diarrhea Virus' . . Viruses 'Not applicable' Pestivirus 'Bovine viral diarrhea virus 1' 'strain CP7' . . . . . . . . . . . . . . . . . . . . 6757 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $BVDV_NS5A-1-28 . GB . M31182 . . . . 6757 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 6757 _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 $BVDV_NS5A-1-28 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Synthesized by the stepwise solid-phase method of Merrifield and employing Fmoc chemistry' . . 6757 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_TFE_50% _Sample.Sf_category sample _Sample.Sf_framecode TFE_50% _Sample.Entry_ID 6757 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample in TriFluoroEthanol (TFE) 50%' _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 'BVDV NS5A[1-28]' . . . 1 $BVDV_NS5A-1-28 . protein 2 . . mM 0.1 . . . 6757 1 2 2,2,2-TriFluoroEthanol-d2 'TFE-d2 (>99%)' . . . . . solvent 50 . . '% v/v' 1 . . . 6757 1 3 water . . . . . . solvent 50 . . '% v/v' 1 . . . 6757 1 4 '2,2-dimethyl-2-silapentane-5-sulfonic acid' . . . . . . 'internal reference' 0.01 . . mM . . . . 6757 1 stop_ save_ save_SDS_100_mM _Sample.Sf_category sample _Sample.Sf_framecode SDS_100_mM _Sample.Entry_ID 6757 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample in micellar Sodium Dodecyl Sulfate (SDS) 100 mM' _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 'BVDV NS5A[1-28]' . . . 1 $BVDV_NS5A-1-28 . protein 2 . . mM 0.1 . . . 6757 2 2 'Sodium Dodecyl Sulfate (SDS)-d25' 'SDS-d25 (>98%)' . . . . . lipid 100 . . mM 1 . . . 6757 2 3 water . . . . . . solvent 100 . . '% v/v' 1 . . . 6757 2 4 '2,2-dimethyl-2-silapentane-5-sulfonic acid' . . . . . . 'internal reference' 0.01 . . mM . . . . 6757 2 stop_ save_ ####################### # Sample conditions # ####################### save_303K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 303K _Sample_condition_list.Entry_ID 6757 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; pH 4.5 temperature = 303 K ; 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 0.2 pH 6757 1 temperature 303 1 K 6757 1 stop_ save_ save_313K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 313K _Sample_condition_list.Entry_ID 6757 _Sample_condition_list.ID 2 _Sample_condition_list.Details ; pH 4.5 temperature = 313 K ; 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 0.2 pH 6757 2 temperature 313 1 K 6757 2 stop_ save_ ############################ # Computer software used # ############################ save_Sparky_3.110 _Software.Sf_category software _Software.Sf_framecode Sparky_3.110 _Software.Entry_ID 6757 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. D. Goddard and D. G. Kneller' 'University of California, San Francisco' . 6757 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Chemical shift assignment' 6757 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 6757 _Software.ID 2 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 6757 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectra processing' 6757 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500_MHz_Varian_Unity-plus _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500_MHz_Varian_Unity-plus _NMR_spectrometer.Entry_ID 6757 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity-plus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6757 _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 'TOCSY in TFE 50%' no . . . . . . . . . . . . . . . . . . . . 1 $500_MHz_Varian_Unity-plus . . . . . . . . . . . . . . . . 6757 1 2 '1H_13C_HSQC in TFE 50%' no . . . . . . . . . . . . . . . . . . . . 1 $500_MHz_Varian_Unity-plus . . . . . . . . . . . . . . . . 6757 1 3 'NOESY in TFE 50%' no . . . . . . . . . . . . . . . . . . . . 1 $500_MHz_Varian_Unity-plus . . . . . . . . . . . . . . . . 6757 1 4 'TOCSY in SDS 100 mM' no . . . . . . . . . . . . . . . . . . . . 1 $500_MHz_Varian_Unity-plus . . . . . . . . . . . . . . . . 6757 1 5 '1H_13C_HSQC in SDS 100 mM' no . . . . . . . . . . . . . . . . . . . . 1 $500_MHz_Varian_Unity-plus . . . . . . . . . . . . . . . . 6757 1 6 'NOESY in SDS 100 mM' no . . . . . . . . . . . . . . . . . . . . 1 $500_MHz_Varian_Unity-plus . . . . . . . . . . . . . . . . 6757 1 stop_ save_ save_TOCSY_in_TFE_50% _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TOCSY_in_TFE_50% _NMR_spec_expt.Entry_ID 6757 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name TOCSY_in_TFE_50% _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 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Varian_Unity-plus _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 2 _NMR_spec_expt.Software_label $VNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NOESY_in_TFE_50% _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NOESY_in_TFE_50% _NMR_spec_expt.Entry_ID 6757 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name NOESY_in_TFE_50% _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 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Varian_Unity-plus _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 2 _NMR_spec_expt.Software_label $VNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H_13C_HSQC_in_TFE_50% _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H_13C_HSQC_in_TFE_50% _NMR_spec_expt.Entry_ID 6757 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 1H_13C_HSQC_in_TFE_50% _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 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Varian_Unity-plus _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 2 _NMR_spec_expt.Software_label $VNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TOCSY_in_SDS_100_mM _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TOCSY_in_SDS_100_mM _NMR_spec_expt.Entry_ID 6757 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name TOCSY_in_SDS_100_mM _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 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Varian_Unity-plus _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 2 _NMR_spec_expt.Software_label $VNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NOESY_in_SDS_100_mM _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NOESY_in_SDS_100_mM _NMR_spec_expt.Entry_ID 6757 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name NOESY_in_SDS_100_mM _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 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Varian_Unity-plus _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 2 _NMR_spec_expt.Software_label $VNMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H_13C_HSQC_in_SDS_100_mM _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H_13C_HSQC_in_SDS_100_mM _NMR_spec_expt.Entry_ID 6757 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 1H_13C_HSQC_in_SDS_100_mM _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 1 _NMR_spec_expt.NMR_spectrometer_label $500_MHz_Varian_Unity-plus _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 2 _NMR_spec_expt.Software_label $VNMR _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_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6757 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6757 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6757 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_shifts_in_TFE_50% _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_in_TFE_50% _Assigned_chem_shift_list.Entry_ID 6757 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $303K _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _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 'TOCSY in TFE 50%' 1 $TFE_50% isotropic 6757 1 2 '1H_13C_HSQC in TFE 50%' 1 $TFE_50% isotropic 6757 1 3 'NOESY in TFE 50%' 1 $TFE_50% isotropic 6757 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Sparky_3.110 . . 6757 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 4.25 0.01 . 1 . . . . 1 SER HA . 6757 1 2 . 1 1 1 1 SER HB2 H 1 4.08 0.01 . 1 . . . . 1 SER HB2 . 6757 1 3 . 1 1 1 1 SER HB3 H 1 4.08 0.01 . 1 . . . . 1 SER HB3 . 6757 1 4 . 1 1 1 1 SER CA C 13 58.15 0.05 . 1 . . . . 1 SER CA . 6757 1 5 . 1 1 2 2 GLY H H 1 8.65 0.01 . 1 . . . . 2 GLY H . 6757 1 6 . 1 1 2 2 GLY HA2 H 1 4.03 0.01 . 1 . . . . 2 GLY HA2 . 6757 1 7 . 1 1 2 2 GLY HA3 H 1 4.03 0.01 . 1 . . . . 2 GLY HA3 . 6757 1 8 . 1 1 2 2 GLY CA C 13 46.17 0.05 . 1 . . . . 2 GLY CA . 6757 1 9 . 1 1 3 3 ASN H H 1 8.11 0.01 . 1 . . . . 3 ASN H . 6757 1 10 . 1 1 3 3 ASN HA H 1 4.74 0.01 . 1 . . . . 3 ASN HA . 6757 1 11 . 1 1 3 3 ASN HB2 H 1 2.79 0.03 . 2 . . . . 3 ASN HB2 . 6757 1 12 . 1 1 3 3 ASN HB3 H 1 2.92 0.03 . 2 . . . . 3 ASN HB3 . 6757 1 13 . 1 1 3 3 ASN CB C 13 39.64 0.01 . 1 . . . . 3 ASN CB . 6757 1 14 . 1 1 4 4 TYR H H 1 8.05 0.01 . 1 . . . . 4 TYR H . 6757 1 15 . 1 1 4 4 TYR HA H 1 4.43 0.01 . 1 . . . . 4 TYR HA . 6757 1 16 . 1 1 4 4 TYR HB2 H 1 3.13 0.01 . 1 . . . . 4 TYR HB2 . 6757 1 17 . 1 1 4 4 TYR HB3 H 1 3.13 0.01 . 1 . . . . 4 TYR HB3 . 6757 1 18 . 1 1 4 4 TYR HD1 H 1 7.17 0.01 . 1 . . . . 4 TYR HD1 . 6757 1 19 . 1 1 4 4 TYR HD2 H 1 7.17 0.01 . 1 . . . . 4 TYR HD2 . 6757 1 20 . 1 1 4 4 TYR HE1 H 1 6.85 0.02 . 1 . . . . 4 TYR HE1 . 6757 1 21 . 1 1 4 4 TYR HE2 H 1 6.85 0.02 . 1 . . . . 4 TYR HE2 . 6757 1 22 . 1 1 4 4 TYR CA C 13 61.49 0.05 . 1 . . . . 4 TYR CA . 6757 1 23 . 1 1 4 4 TYR CB C 13 39.23 0.05 . 1 . . . . 4 TYR CB . 6757 1 24 . 1 1 4 4 TYR CD1 C 13 133.79 0.05 . 1 . . . . 4 TYR CD1 . 6757 1 25 . 1 1 4 4 TYR CD2 C 13 133.79 0.05 . 1 . . . . 4 TYR CD2 . 6757 1 26 . 1 1 4 4 TYR CE1 C 13 119.12 0.05 . 1 . . . . 4 TYR CE1 . 6757 1 27 . 1 1 4 4 TYR CE2 C 13 119.12 0.05 . 1 . . . . 4 TYR CE2 . 6757 1 28 . 1 1 5 5 VAL H H 1 7.65 0.01 . 1 . . . . 5 VAL H . 6757 1 29 . 1 1 5 5 VAL HA H 1 3.69 0.01 . 1 . . . . 5 VAL HA . 6757 1 30 . 1 1 5 5 VAL HB H 1 2.13 0.01 . 1 . . . . 5 VAL HB . 6757 1 31 . 1 1 5 5 VAL HG11 H 1 1.04 0.02 . 1 . . . . 5 VAL HG1 . 6757 1 32 . 1 1 5 5 VAL HG12 H 1 1.04 0.02 . 1 . . . . 5 VAL HG1 . 6757 1 33 . 1 1 5 5 VAL HG13 H 1 1.04 0.02 . 1 . . . . 5 VAL HG1 . 6757 1 34 . 1 1 5 5 VAL HG21 H 1 0.98 0.02 . 1 . . . . 5 VAL HG2 . 6757 1 35 . 1 1 5 5 VAL HG22 H 1 0.98 0.02 . 1 . . . . 5 VAL HG2 . 6757 1 36 . 1 1 5 5 VAL HG23 H 1 0.98 0.02 . 1 . . . . 5 VAL HG2 . 6757 1 37 . 1 1 5 5 VAL CA C 13 67.48 0.05 . 1 . . . . 5 VAL CA . 6757 1 38 . 1 1 5 5 VAL CB C 13 32.53 0.05 . 1 . . . . 5 VAL CB . 6757 1 39 . 1 1 5 5 VAL CG1 C 13 21.90 0.05 . 2 . . . . 5 VAL CG1 . 6757 1 40 . 1 1 5 5 VAL CG2 C 13 21.60 0.05 . 2 . . . . 5 VAL CG2 . 6757 1 41 . 1 1 6 6 LEU H H 1 7.57 0.01 . 1 . . . . 6 LEU H . 6757 1 42 . 1 1 6 6 LEU HA H 1 4.09 0.01 . 1 . . . . 6 LEU HA . 6757 1 43 . 1 1 6 6 LEU HB2 H 1 1.65 0.01 . 1 . . . . 6 LEU HB2 . 6757 1 44 . 1 1 6 6 LEU HB3 H 1 1.65 0.01 . 1 . . . . 6 LEU HB3 . 6757 1 45 . 1 1 6 6 LEU HG H 1 1.68 0.01 . 1 . . . . 6 LEU HG . 6757 1 46 . 1 1 6 6 LEU HD11 H 1 0.96 0.01 . 1 . . . . 6 LEU HD1 . 6757 1 47 . 1 1 6 6 LEU HD12 H 1 0.96 0.01 . 1 . . . . 6 LEU HD1 . 6757 1 48 . 1 1 6 6 LEU HD13 H 1 0.96 0.01 . 1 . . . . 6 LEU HD1 . 6757 1 49 . 1 1 6 6 LEU HD21 H 1 0.90 0.01 . 1 . . . . 6 LEU HD2 . 6757 1 50 . 1 1 6 6 LEU HD22 H 1 0.90 0.01 . 1 . . . . 6 LEU HD2 . 6757 1 51 . 1 1 6 6 LEU HD23 H 1 0.90 0.01 . 1 . . . . 6 LEU HD2 . 6757 1 52 . 1 1 6 6 LEU CA C 13 59.45 0.05 . 1 . . . . 6 LEU CA . 6757 1 53 . 1 1 6 6 LEU CB C 13 42.27 0.05 . 1 . . . . 6 LEU CB . 6757 1 54 . 1 1 6 6 LEU CG C 13 27.85 0.05 . 1 . . . . 6 LEU CG . 6757 1 55 . 1 1 6 6 LEU CD1 C 13 24.77 0.05 . 2 . . . . 6 LEU CD1 . 6757 1 56 . 1 1 6 6 LEU CD2 C 13 23.75 0.05 . 2 . . . . 6 LEU CD2 . 6757 1 57 . 1 1 7 7 ASP H H 1 7.96 0.01 . 1 . . . . 7 ASP H . 6757 1 58 . 1 1 7 7 ASP HA H 1 4.49 0.01 . 1 . . . . 7 ASP HA . 6757 1 59 . 1 1 7 7 ASP HB2 H 1 2.91 0.01 . 2 . . . . 7 ASP HB2 . 6757 1 60 . 1 1 7 7 ASP HB3 H 1 3.11 0.01 . 2 . . . . 7 ASP HB3 . 6757 1 61 . 1 1 7 7 ASP CA C 13 57.11 0.05 . 1 . . . . 7 ASP CA . 6757 1 62 . 1 1 7 7 ASP CB C 13 38.36 0.05 . 1 . . . . 7 ASP CB . 6757 1 63 . 1 1 8 8 LEU H H 1 8.15 0.01 . 1 . . . . 8 LEU H . 6757 1 64 . 1 1 8 8 LEU HA H 1 4.18 0.01 . 1 . . . . 8 LEU HA . 6757 1 65 . 1 1 8 8 LEU HB2 H 1 1.82 0.01 . 2 . . . . 8 LEU HB2 . 6757 1 66 . 1 1 8 8 LEU HB3 H 1 1.97 0.01 . 2 . . . . 8 LEU HB3 . 6757 1 67 . 1 1 8 8 LEU HG H 1 1.69 0.01 . 1 . . . . 8 LEU HG . 6757 1 68 . 1 1 8 8 LEU HD11 H 1 0.96 0.01 . 1 . . . . 8 LEU HD1 . 6757 1 69 . 1 1 8 8 LEU HD12 H 1 0.96 0.01 . 1 . . . . 8 LEU HD1 . 6757 1 70 . 1 1 8 8 LEU HD13 H 1 0.96 0.01 . 1 . . . . 8 LEU HD1 . 6757 1 71 . 1 1 8 8 LEU HD21 H 1 0.96 0.01 . 1 . . . . 8 LEU HD2 . 6757 1 72 . 1 1 8 8 LEU HD22 H 1 0.96 0.01 . 1 . . . . 8 LEU HD2 . 6757 1 73 . 1 1 8 8 LEU HD23 H 1 0.96 0.01 . 1 . . . . 8 LEU HD2 . 6757 1 74 . 1 1 8 8 LEU CA C 13 59.66 0.05 . 1 . . . . 8 LEU CA . 6757 1 75 . 1 1 8 8 LEU CB C 13 42.60 0.01 . 1 . . . . 8 LEU CB . 6757 1 76 . 1 1 8 8 LEU CG C 13 27.91 0.05 . 1 . . . . 8 LEU CG . 6757 1 77 . 1 1 8 8 LEU CD1 C 13 24.77 0.05 . 2 . . . . 8 LEU CD1 . 6757 1 78 . 1 1 8 8 LEU CD2 C 13 24.36 0.05 . 2 . . . . 8 LEU CD2 . 6757 1 79 . 1 1 9 9 ILE H H 1 8.48 0.01 . 1 . . . . 9 ILE H . 6757 1 80 . 1 1 9 9 ILE HA H 1 3.73 0.01 . 1 . . . . 9 ILE HA . 6757 1 81 . 1 1 9 9 ILE HB H 1 2.04 0.01 . 1 . . . . 9 ILE HB . 6757 1 82 . 1 1 9 9 ILE HG12 H 1 1.26 0.01 . 2 . . . . 9 ILE HG12 . 6757 1 83 . 1 1 9 9 ILE HG13 H 1 1.88 0.01 . 2 . . . . 9 ILE HG13 . 6757 1 84 . 1 1 9 9 ILE HG21 H 1 0.94 0.01 . 1 . . . . 9 ILE HG2 . 6757 1 85 . 1 1 9 9 ILE HG22 H 1 0.94 0.01 . 1 . . . . 9 ILE HG2 . 6757 1 86 . 1 1 9 9 ILE HG23 H 1 0.94 0.01 . 1 . . . . 9 ILE HG2 . 6757 1 87 . 1 1 9 9 ILE HD11 H 1 0.89 0.01 . 1 . . . . 9 ILE HD1 . 6757 1 88 . 1 1 9 9 ILE HD12 H 1 0.89 0.01 . 1 . . . . 9 ILE HD1 . 6757 1 89 . 1 1 9 9 ILE HD13 H 1 0.89 0.01 . 1 . . . . 9 ILE HD1 . 6757 1 90 . 1 1 9 9 ILE CA C 13 66.71 0.05 . 1 . . . . 9 ILE CA . 6757 1 91 . 1 1 9 9 ILE CB C 13 38.86 0.05 . 1 . . . . 9 ILE CB . 6757 1 92 . 1 1 9 9 ILE CG1 C 13 29.59 0.05 . 1 . . . . 9 ILE CG1 . 6757 1 93 . 1 1 9 9 ILE CG2 C 13 17.57 0.05 . 1 . . . . 9 ILE CG2 . 6757 1 94 . 1 1 9 9 ILE CD1 C 13 13.21 0.05 . 1 . . . . 9 ILE CD1 . 6757 1 95 . 1 1 10 10 TYR H H 1 8.92 0.01 . 1 . . . . 10 TYR H . 6757 1 96 . 1 1 10 10 TYR HA H 1 4.28 0.01 . 1 . . . . 10 TYR HA . 6757 1 97 . 1 1 10 10 TYR HB2 H 1 3.24 0.01 . 2 . . . . 10 TYR HB2 . 6757 1 98 . 1 1 10 10 TYR HB3 H 1 3.26 0.01 . 1 . . . . 10 TYR HB3 . 6757 1 99 . 1 1 10 10 TYR HD1 H 1 7.18 0.01 . 1 . . . . 10 TYR HD1 . 6757 1 100 . 1 1 10 10 TYR HD2 H 1 7.18 0.01 . 1 . . . . 10 TYR HD2 . 6757 1 101 . 1 1 10 10 TYR HE1 H 1 6.87 0.02 . 1 . . . . 10 TYR HE1 . 6757 1 102 . 1 1 10 10 TYR HE2 H 1 6.87 0.02 . 1 . . . . 10 TYR HE2 . 6757 1 103 . 1 1 10 10 TYR CA C 13 62.62 0.05 . 1 . . . . 10 TYR CA . 6757 1 104 . 1 1 10 10 TYR CB C 13 39.13 0.05 . 1 . . . . 10 TYR CB . 6757 1 105 . 1 1 10 10 TYR CD1 C 13 133.79 0.05 . 1 . . . . 10 TYR CD1 . 6757 1 106 . 1 1 10 10 TYR CD2 C 13 133.79 0.05 . 1 . . . . 10 TYR CD2 . 6757 1 107 . 1 1 10 10 TYR CE1 C 13 118.82 0.05 . 1 . . . . 10 TYR CE1 . 6757 1 108 . 1 1 10 10 TYR CE2 C 13 118.82 0.05 . 1 . . . . 10 TYR CE2 . 6757 1 109 . 1 1 11 11 SER H H 1 8.40 0.01 . 1 . . . . 11 SER H . 6757 1 110 . 1 1 11 11 SER HA H 1 4.30 0.01 . 1 . . . . 11 SER HA . 6757 1 111 . 1 1 11 11 SER HB2 H 1 4.07 0.01 . 2 . . . . 11 SER HB2 . 6757 1 112 . 1 1 11 11 SER HB3 H 1 4.15 0.01 . 2 . . . . 11 SER HB3 . 6757 1 113 . 1 1 11 11 SER CA C 13 63.86 0.05 . 1 . . . . 11 SER CA . 6757 1 114 . 1 1 11 11 SER CB C 13 63.88 0.08 . 1 . . . . 11 SER CB . 6757 1 115 . 1 1 12 12 LEU H H 1 8.81 0.01 . 1 . . . . 12 LEU H . 6757 1 116 . 1 1 12 12 LEU HA H 1 4.19 0.01 . 1 . . . . 12 LEU HA . 6757 1 117 . 1 1 12 12 LEU HB2 H 1 1.63 0.01 . 2 . . . . 12 LEU HB2 . 6757 1 118 . 1 1 12 12 LEU HB3 H 1 1.94 0.01 . 2 . . . . 12 LEU HB3 . 6757 1 119 . 1 1 12 12 LEU HG H 1 1.81 0.01 . 1 . . . . 12 LEU HG . 6757 1 120 . 1 1 12 12 LEU HD11 H 1 0.90 0.01 . 1 . . . . 12 LEU HD1 . 6757 1 121 . 1 1 12 12 LEU HD12 H 1 0.90 0.01 . 1 . . . . 12 LEU HD1 . 6757 1 122 . 1 1 12 12 LEU HD13 H 1 0.90 0.01 . 1 . . . . 12 LEU HD1 . 6757 1 123 . 1 1 12 12 LEU HD21 H 1 0.90 0.01 . 1 . . . . 12 LEU HD2 . 6757 1 124 . 1 1 12 12 LEU HD22 H 1 0.90 0.01 . 1 . . . . 12 LEU HD2 . 6757 1 125 . 1 1 12 12 LEU HD23 H 1 0.90 0.01 . 1 . . . . 12 LEU HD2 . 6757 1 126 . 1 1 12 12 LEU CA C 13 59.09 0.05 . 1 . . . . 12 LEU CA . 6757 1 127 . 1 1 12 12 LEU CB C 13 42.68 0.05 . 1 . . . . 12 LEU CB . 6757 1 128 . 1 1 12 12 LEU CG C 13 27.69 0.05 . 1 . . . . 12 LEU CG . 6757 1 129 . 1 1 12 12 LEU CD1 C 13 24.85 0.05 . 2 . . . . 12 LEU CD1 . 6757 1 130 . 1 1 12 12 LEU CD2 C 13 23.75 0.05 . 2 . . . . 12 LEU CD2 . 6757 1 131 . 1 1 13 13 HIS H H 1 8.36 0.01 . 1 . . . . 13 HIS H . 6757 1 132 . 1 1 13 13 HIS HA H 1 4.24 0.01 . 1 . . . . 13 HIS HA . 6757 1 133 . 1 1 13 13 HIS HB2 H 1 3.32 0.01 . 2 . . . . 13 HIS HB2 . 6757 1 134 . 1 1 13 13 HIS HB3 H 1 3.41 0.01 . 2 . . . . 13 HIS HB3 . 6757 1 135 . 1 1 13 13 HIS HD2 H 1 7.31 0.01 . 1 . . . . 13 HIS HD2 . 6757 1 136 . 1 1 13 13 HIS HE1 H 1 8.46 0.01 . 1 . . . . 13 HIS HE1 . 6757 1 137 . 1 1 13 13 HIS CA C 13 60.53 0.05 . 1 . . . . 13 HIS CA . 6757 1 138 . 1 1 13 13 HIS CB C 13 28.58 0.01 . 1 . . . . 13 HIS CB . 6757 1 139 . 1 1 13 13 HIS CD2 C 13 120.59 0.05 . 1 . . . . 13 HIS CD2 . 6757 1 140 . 1 1 13 13 HIS CE1 C 13 136.63 0.05 . 1 . . . . 13 HIS CE1 . 6757 1 141 . 1 1 14 14 LYS H H 1 8.21 0.01 . 1 . . . . 14 LYS H . 6757 1 142 . 1 1 14 14 LYS HA H 1 4.04 0.01 . 1 . . . . 14 LYS HA . 6757 1 143 . 1 1 14 14 LYS HB2 H 1 1.90 0.01 . 1 . . . . 14 LYS HB2 . 6757 1 144 . 1 1 14 14 LYS HB3 H 1 1.90 0.01 . 1 . . . . 14 LYS HB3 . 6757 1 145 . 1 1 14 14 LYS HG2 H 1 1.36 0.01 . 2 . . . . 14 LYS HG3 . 6757 1 146 . 1 1 14 14 LYS HG3 H 1 1.47 0.01 . 2 . . . . 14 LYS HG3 . 6757 1 147 . 1 1 14 14 LYS HD2 H 1 1.69 0.01 . 1 . . . . 14 LYS HD2 . 6757 1 148 . 1 1 14 14 LYS HD3 H 1 1.69 0.01 . 1 . . . . 14 LYS HD3 . 6757 1 149 . 1 1 14 14 LYS HE2 H 1 2.93 0.01 . 1 . . . . 14 LYS HE2 . 6757 1 150 . 1 1 14 14 LYS HE3 H 1 2.93 0.01 . 1 . . . . 14 LYS HE3 . 6757 1 151 . 1 1 14 14 LYS CA C 13 60.25 0.05 . 1 . . . . 14 LYS CA . 6757 1 152 . 1 1 14 14 LYS CB C 13 33.02 0.05 . 1 . . . . 14 LYS CB . 6757 1 153 . 1 1 14 14 LYS CG C 13 25.68 0.01 . 1 . . . . 14 LYS CG . 6757 1 154 . 1 1 14 14 LYS CD C 13 30.18 0.05 . 1 . . . . 14 LYS CD . 6757 1 155 . 1 1 14 14 LYS CE C 13 43.03 0.05 . 1 . . . . 14 LYS CE . 6757 1 156 . 1 1 15 15 GLN H H 1 8.05 0.01 . 1 . . . . 15 GLN H . 6757 1 157 . 1 1 15 15 GLN HA H 1 4.18 0.01 . 1 . . . . 15 GLN HA . 6757 1 158 . 1 1 15 15 GLN HB2 H 1 2.27 0.01 . 1 . . . . 15 GLN HB2 . 6757 1 159 . 1 1 15 15 GLN HB3 H 1 2.27 0.01 . 1 . . . . 15 GLN HB3 . 6757 1 160 . 1 1 15 15 GLN HG2 H 1 2.50 0.01 . 1 . . . . 15 GLN HG2 . 6757 1 161 . 1 1 15 15 GLN HG3 H 1 2.50 0.01 . 1 . . . . 15 GLN HG3 . 6757 1 162 . 1 1 15 15 GLN HE21 H 1 7.10 0.01 . 2 . . . . 15 GLN HE21 . 6757 1 163 . 1 1 15 15 GLN HE22 H 1 6.57 0.01 . 2 . . . . 15 GLN HE22 . 6757 1 164 . 1 1 15 15 GLN CA C 13 59.59 0.05 . 1 . . . . 15 GLN CA . 6757 1 165 . 1 1 15 15 GLN CB C 13 29.57 0.05 . 1 . . . . 15 GLN CB . 6757 1 166 . 1 1 15 15 GLN CG C 13 34.41 0.05 . 1 . . . . 15 GLN CG . 6757 1 167 . 1 1 16 16 ILE H H 1 8.39 0.01 . 1 . . . . 16 ILE H . 6757 1 168 . 1 1 16 16 ILE HA H 1 3.87 0.01 . 1 . . . . 16 ILE HA . 6757 1 169 . 1 1 16 16 ILE HB H 1 1.90 0.01 . 1 . . . . 16 ILE HB . 6757 1 170 . 1 1 16 16 ILE HG12 H 1 1.17 0.01 . 2 . . . . 16 ILE HG12 . 6757 1 171 . 1 1 16 16 ILE HG13 H 1 1.75 0.01 . 2 . . . . 16 ILE HG13 . 6757 1 172 . 1 1 16 16 ILE HG21 H 1 0.94 0.01 . 1 . . . . 16 ILE HG2 . 6757 1 173 . 1 1 16 16 ILE HG22 H 1 0.94 0.01 . 1 . . . . 16 ILE HG2 . 6757 1 174 . 1 1 16 16 ILE HG23 H 1 0.94 0.01 . 1 . . . . 16 ILE HG2 . 6757 1 175 . 1 1 16 16 ILE HD11 H 1 0.81 0.01 . 1 . . . . 16 ILE HD1 . 6757 1 176 . 1 1 16 16 ILE HD12 H 1 0.81 0.01 . 1 . . . . 16 ILE HD1 . 6757 1 177 . 1 1 16 16 ILE HD13 H 1 0.81 0.01 . 1 . . . . 16 ILE HD1 . 6757 1 178 . 1 1 16 16 ILE CA C 13 65.64 0.05 . 1 . . . . 16 ILE CA . 6757 1 179 . 1 1 16 16 ILE CB C 13 39.19 0.05 . 1 . . . . 16 ILE CB . 6757 1 180 . 1 1 16 16 ILE CG1 C 13 29.56 0.01 . 1 . . . . 16 ILE CG1 . 6757 1 181 . 1 1 16 16 ILE CG2 C 13 17.57 0.05 . 1 . . . . 16 ILE CG2 . 6757 1 182 . 1 1 16 16 ILE CD1 C 13 13.32 0.05 . 1 . . . . 16 ILE CD1 . 6757 1 183 . 1 1 17 17 ASN H H 1 8.11 0.01 . 1 . . . . 17 ASN H . 6757 1 184 . 1 1 17 17 ASN HA H 1 4.49 0.01 . 1 . . . . 17 ASN HA . 6757 1 185 . 1 1 17 17 ASN HB2 H 1 2.82 0.03 . 2 . . . . 17 ASN HB2 . 6757 1 186 . 1 1 17 17 ASN HB3 H 1 2.85 0.01 . 1 . . . . 17 ASN HB3 . 6757 1 187 . 1 1 17 17 ASN CA C 13 57.11 0.05 . 1 . . . . 17 ASN CA . 6757 1 188 . 1 1 17 17 ASN CB C 13 39.78 0.05 . 1 . . . . 17 ASN CB . 6757 1 189 . 1 1 18 18 ARG H H 1 8.02 0.01 . 1 . . . . 18 ARG H . 6757 1 190 . 1 1 18 18 ARG HA H 1 4.14 0.01 . 1 . . . . 18 ARG HA . 6757 1 191 . 1 1 18 18 ARG HB2 H 1 2.00 0.01 . 1 . . . . 18 ARG HB2 . 6757 1 192 . 1 1 18 18 ARG HB3 H 1 2.00 0.01 . 1 . . . . 18 ARG HB3 . 6757 1 193 . 1 1 18 18 ARG HG2 H 1 1.72 0.01 . 2 . . . . 18 ARG HG2 . 6757 1 194 . 1 1 18 18 ARG HG3 H 1 1.87 0.01 . 2 . . . . 18 ARG HG3 . 6757 1 195 . 1 1 18 18 ARG HD2 H 1 3.25 0.01 . 1 . . . . 18 ARG HD2 . 6757 1 196 . 1 1 18 18 ARG HD3 H 1 3.25 0.01 . 1 . . . . 18 ARG HD3 . 6757 1 197 . 1 1 18 18 ARG HE H 1 7.28 0.01 . 1 . . . . 18 ARG HE . 6757 1 198 . 1 1 18 18 ARG CA C 13 59.86 0.05 . 1 . . . . 18 ARG CA . 6757 1 199 . 1 1 18 18 ARG CB C 13 31.18 0.05 . 1 . . . . 18 ARG CB . 6757 1 200 . 1 1 18 18 ARG CG C 13 28.40 0.05 . 1 . . . . 18 ARG CG . 6757 1 201 . 1 1 18 18 ARG CD C 13 44.50 0.05 . 1 . . . . 18 ARG CD . 6757 1 202 . 1 1 19 19 GLY H H 1 8.19 0.01 . 1 . . . . 19 GLY H . 6757 1 203 . 1 1 19 19 GLY HA2 H 1 3.94 0.01 . 1 . . . . 19 GLY HA2 . 6757 1 204 . 1 1 19 19 GLY HA3 H 1 3.94 0.01 . 1 . . . . 19 GLY HA3 . 6757 1 205 . 1 1 19 19 GLY CA C 13 47.41 0.05 . 1 . . . . 19 GLY CA . 6757 1 206 . 1 1 20 20 LEU H H 1 8.22 0.01 . 1 . . . . 20 LEU H . 6757 1 207 . 1 1 20 20 LEU HA H 1 4.25 0.01 . 1 . . . . 20 LEU HA . 6757 1 208 . 1 1 20 20 LEU HB2 H 1 1.62 0.01 . 2 . . . . 20 LEU HB2 . 6757 1 209 . 1 1 20 20 LEU HB3 H 1 1.83 0.01 . 2 . . . . 20 LEU HB3 . 6757 1 210 . 1 1 20 20 LEU HG H 1 1.65 0.01 . 1 . . . . 20 LEU HG . 6757 1 211 . 1 1 20 20 LEU HD11 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 1 212 . 1 1 20 20 LEU HD12 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 1 213 . 1 1 20 20 LEU HD13 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 1 214 . 1 1 20 20 LEU HD21 H 1 0.94 0.01 . 1 . . . . 20 LEU HD2 . 6757 1 215 . 1 1 20 20 LEU HD22 H 1 0.94 0.01 . 1 . . . . 20 LEU HD2 . 6757 1 216 . 1 1 20 20 LEU HD23 H 1 0.94 0.01 . 1 . . . . 20 LEU HD2 . 6757 1 217 . 1 1 20 20 LEU CA C 13 58.55 0.05 . 1 . . . . 20 LEU CA . 6757 1 218 . 1 1 20 20 LEU CB C 13 42.99 0.05 . 1 . . . . 20 LEU CB . 6757 1 219 . 1 1 20 20 LEU CG C 13 27.88 0.05 . 1 . . . . 20 LEU CG . 6757 1 220 . 1 1 20 20 LEU CD1 C 13 25.23 0.05 . 2 . . . . 20 LEU CD1 . 6757 1 221 . 1 1 20 20 LEU CD2 C 13 23.75 0.05 . 2 . . . . 20 LEU CD2 . 6757 1 222 . 1 1 21 21 LYS H H 1 7.89 0.01 . 1 . . . . 21 LYS H . 6757 1 223 . 1 1 21 21 LYS HA H 1 4.03 0.01 . 1 . . . . 21 LYS HA . 6757 1 224 . 1 1 21 21 LYS HB2 H 1 1.92 0.01 . 1 . . . . 21 LYS HB2 . 6757 1 225 . 1 1 21 21 LYS HB3 H 1 1.92 0.01 . 1 . . . . 21 LYS HB3 . 6757 1 226 . 1 1 21 21 LYS HG2 H 1 1.46 0.01 . 2 . . . . 21 LYS HG2 . 6757 1 227 . 1 1 21 21 LYS HG3 H 1 1.59 0.01 . 2 . . . . 21 LYS HG3 . 6757 1 228 . 1 1 21 21 LYS HD2 H 1 1.70 0.01 . 1 . . . . 21 LYS HD2 . 6757 1 229 . 1 1 21 21 LYS HD3 H 1 1.70 0.01 . 1 . . . . 21 LYS HD3 . 6757 1 230 . 1 1 21 21 LYS HE2 H 1 2.97 0.01 . 1 . . . . 21 LYS HE2 . 6757 1 231 . 1 1 21 21 LYS HE3 H 1 2.97 0.01 . 1 . . . . 21 LYS HE3 . 6757 1 232 . 1 1 21 21 LYS CA C 13 59.97 0.05 . 1 . . . . 21 LYS CA . 6757 1 233 . 1 1 21 21 LYS CB C 13 33.38 0.05 . 1 . . . . 21 LYS CB . 6757 1 234 . 1 1 21 21 LYS CG C 13 26.19 0.05 . 1 . . . . 21 LYS CG . 6757 1 235 . 1 1 21 21 LYS CD C 13 30.18 0.05 . 1 . . . . 21 LYS CD . 6757 1 236 . 1 1 21 21 LYS CE C 13 43.05 0.05 . 1 . . . . 21 LYS CE . 6757 1 237 . 1 1 22 22 LYS H H 1 7.71 0.01 . 1 . . . . 22 LYS H . 6757 1 238 . 1 1 22 22 LYS HA H 1 4.10 0.01 . 1 . . . . 22 LYS HA . 6757 1 239 . 1 1 22 22 LYS HB2 H 1 1.96 0.01 . 1 . . . . 22 LYS HB2 . 6757 1 240 . 1 1 22 22 LYS HB3 H 1 1.96 0.01 . 1 . . . . 22 LYS HB3 . 6757 1 241 . 1 1 22 22 LYS HG2 H 1 1.47 0.01 . 2 . . . . 22 LYS HG2 . 6757 1 242 . 1 1 22 22 LYS HG3 H 1 1.57 0.01 . 2 . . . . 22 LYS HG3 . 6757 1 243 . 1 1 22 22 LYS HD2 H 1 1.72 0.01 . 1 . . . . 22 LYS HD2 . 6757 1 244 . 1 1 22 22 LYS HD3 H 1 1.72 0.01 . 1 . . . . 22 LYS HD3 . 6757 1 245 . 1 1 22 22 LYS HE2 H 1 2.99 0.01 . 1 . . . . 22 LYS HE2 . 6757 1 246 . 1 1 22 22 LYS HE3 H 1 2.99 0.01 . 1 . . . . 22 LYS HE3 . 6757 1 247 . 1 1 22 22 LYS HZ1 H 1 7.59 0.01 . 1 . . . . 22 LYS HZ . 6757 1 248 . 1 1 22 22 LYS HZ2 H 1 7.59 0.01 . 1 . . . . 22 LYS HZ . 6757 1 249 . 1 1 22 22 LYS HZ3 H 1 7.59 0.01 . 1 . . . . 22 LYS HZ . 6757 1 250 . 1 1 22 22 LYS CA C 13 58.83 0.05 . 1 . . . . 22 LYS CA . 6757 1 251 . 1 1 22 22 LYS CB C 13 33.46 0.05 . 1 . . . . 22 LYS CB . 6757 1 252 . 1 1 22 22 LYS CG C 13 25.96 0.05 . 1 . . . . 22 LYS CG . 6757 1 253 . 1 1 22 22 LYS CD C 13 30.18 0.05 . 1 . . . . 22 LYS CD . 6757 1 254 . 1 1 22 22 LYS CE C 13 43.24 0.05 . 1 . . . . 22 LYS CE . 6757 1 255 . 1 1 23 23 ILE H H 1 7.75 0.01 . 1 . . . . 23 ILE H . 6757 1 256 . 1 1 23 23 ILE HA H 1 3.95 0.01 . 1 . . . . 23 ILE HA . 6757 1 257 . 1 1 23 23 ILE HB H 1 2.04 0.01 . 1 . . . . 23 ILE HB . 6757 1 258 . 1 1 23 23 ILE HG12 H 1 1.21 0.01 . 2 . . . . 23 ILE HG12 . 6757 1 259 . 1 1 23 23 ILE HG13 H 1 1.71 0.01 . 2 . . . . 23 ILE HG13 . 6757 1 260 . 1 1 23 23 ILE HG21 H 1 0.93 0.01 . 1 . . . . 23 ILE HG2 . 6757 1 261 . 1 1 23 23 ILE HG22 H 1 0.93 0.01 . 1 . . . . 23 ILE HG2 . 6757 1 262 . 1 1 23 23 ILE HG23 H 1 0.93 0.01 . 1 . . . . 23 ILE HG2 . 6757 1 263 . 1 1 23 23 ILE HD11 H 1 0.89 0.01 . 1 . . . . 23 ILE HD1 . 6757 1 264 . 1 1 23 23 ILE HD12 H 1 0.89 0.01 . 1 . . . . 23 ILE HD1 . 6757 1 265 . 1 1 23 23 ILE HD13 H 1 0.89 0.01 . 1 . . . . 23 ILE HD1 . 6757 1 266 . 1 1 23 23 ILE CA C 13 64.55 0.05 . 1 . . . . 23 ILE CA . 6757 1 267 . 1 1 23 23 ILE CB C 13 39.52 0.05 . 1 . . . . 23 ILE CB . 6757 1 268 . 1 1 23 23 ILE CG1 C 13 29.12 0.01 . 1 . . . . 23 ILE CG1 . 6757 1 269 . 1 1 23 23 ILE CG2 C 13 17.57 0.05 . 1 . . . . 23 ILE CG2 . 6757 1 270 . 1 1 23 23 ILE CD1 C 13 13.02 0.05 . 1 . . . . 23 ILE CD1 . 6757 1 271 . 1 1 24 24 VAL H H 1 8.06 0.01 . 1 . . . . 24 VAL H . 6757 1 272 . 1 1 24 24 VAL HA H 1 3.85 0.01 . 1 . . . . 24 VAL HA . 6757 1 273 . 1 1 24 24 VAL HB H 1 2.12 0.01 . 1 . . . . 24 VAL HB . 6757 1 274 . 1 1 24 24 VAL HG11 H 1 1.03 0.02 . 1 . . . . 24 VAL HG1 . 6757 1 275 . 1 1 24 24 VAL HG12 H 1 1.03 0.02 . 1 . . . . 24 VAL HG1 . 6757 1 276 . 1 1 24 24 VAL HG13 H 1 1.03 0.02 . 1 . . . . 24 VAL HG1 . 6757 1 277 . 1 1 24 24 VAL HG21 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 1 278 . 1 1 24 24 VAL HG22 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 1 279 . 1 1 24 24 VAL HG23 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 1 280 . 1 1 24 24 VAL CA C 13 65.64 0.05 . 1 . . . . 24 VAL CA . 6757 1 281 . 1 1 24 24 VAL CB C 13 33.26 0.05 . 1 . . . . 24 VAL CB . 6757 1 282 . 1 1 24 24 VAL CG1 C 13 22.83 0.05 . 2 . . . . 24 VAL CG1 . 6757 1 283 . 1 1 24 24 VAL CG2 C 13 21.29 0.05 . 2 . . . . 24 VAL CG2 . 6757 1 284 . 1 1 25 25 LEU H H 1 7.96 0.01 . 1 . . . . 25 LEU H . 6757 1 285 . 1 1 25 25 LEU HA H 1 4.35 0.01 . 1 . . . . 25 LEU HA . 6757 1 286 . 1 1 25 25 LEU HB2 H 1 1.47 0.01 . 2 . . . . 25 LEU HB2 . 6757 1 287 . 1 1 25 25 LEU HB3 H 1 1.72 0.01 . 2 . . . . 25 LEU HB3 . 6757 1 288 . 1 1 25 25 LEU HG H 1 1.74 0.01 . 1 . . . . 25 LEU HG . 6757 1 289 . 1 1 25 25 LEU HD11 H 1 0.85 0.01 . 1 . . . . 25 LEU HD1 . 6757 1 290 . 1 1 25 25 LEU HD12 H 1 0.85 0.01 . 1 . . . . 25 LEU HD1 . 6757 1 291 . 1 1 25 25 LEU HD13 H 1 0.85 0.01 . 1 . . . . 25 LEU HD1 . 6757 1 292 . 1 1 25 25 LEU HD21 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 1 293 . 1 1 25 25 LEU HD22 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 1 294 . 1 1 25 25 LEU HD23 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 1 295 . 1 1 25 25 LEU CA C 13 56.64 0.05 . 1 . . . . 25 LEU CA . 6757 1 296 . 1 1 25 25 LEU CB C 13 43.05 0.01 . 1 . . . . 25 LEU CB . 6757 1 297 . 1 1 25 25 LEU CG C 13 27.81 0.05 . 1 . . . . 25 LEU CG . 6757 1 298 . 1 1 25 25 LEU CD1 C 13 25.62 0.05 . 2 . . . . 25 LEU CD1 . 6757 1 299 . 1 1 25 25 LEU CD2 C 13 23.30 0.05 . 2 . . . . 25 LEU CD2 . 6757 1 300 . 1 1 26 26 GLY H H 1 7.78 0.01 . 1 . . . . 26 GLY H . 6757 1 301 . 1 1 26 26 GLY HA2 H 1 3.97 0.01 . 1 . . . . 26 GLY HA2 . 6757 1 302 . 1 1 26 26 GLY HA3 H 1 3.97 0.01 . 1 . . . . 26 GLY HA3 . 6757 1 303 . 1 1 26 26 GLY CA C 13 46.81 0.05 . 1 . . . . 26 GLY CA . 6757 1 304 . 1 1 27 27 TRP H H 1 7.75 0.01 . 1 . . . . 27 TRP H . 6757 1 305 . 1 1 27 27 TRP HA H 1 4.75 0.01 . 1 . . . . 27 TRP HA . 6757 1 306 . 1 1 27 27 TRP HB2 H 1 3.34 0.01 . 1 . . . . 27 TRP HB2 . 6757 1 307 . 1 1 27 27 TRP HB3 H 1 3.34 0.01 . 1 . . . . 27 TRP HB3 . 6757 1 308 . 1 1 27 27 TRP HD1 H 1 7.21 0.01 . 1 . . . . 27 TRP HD1 . 6757 1 309 . 1 1 27 27 TRP HE1 H 1 9.72 0.01 . 1 . . . . 27 TRP HE1 . 6757 1 310 . 1 1 27 27 TRP HE3 H 1 7.63 0.01 . 1 . . . . 27 TRP HE3 . 6757 1 311 . 1 1 27 27 TRP HZ2 H 1 7.47 0.01 . 1 . . . . 27 TRP HZ2 . 6757 1 312 . 1 1 27 27 TRP HZ3 H 1 7.23 0.01 . 1 . . . . 27 TRP HZ3 . 6757 1 313 . 1 1 27 27 TRP HH2 H 1 7.15 0.01 . 1 . . . . 27 TRP HH2 . 6757 1 314 . 1 1 27 27 TRP CB C 13 30.73 0.05 . 1 . . . . 27 TRP CB . 6757 1 315 . 1 1 27 27 TRP CD1 C 13 127.37 0.05 . 1 . . . . 27 TRP CD1 . 6757 1 316 . 1 1 27 27 TRP CE3 C 13 121.67 0.05 . 1 . . . . 27 TRP CE3 . 6757 1 317 . 1 1 27 27 TRP CZ2 C 13 115.26 0.05 . 1 . . . . 27 TRP CZ2 . 6757 1 318 . 1 1 27 27 TRP CZ3 C 13 125.37 0.05 . 1 . . . . 27 TRP CZ3 . 6757 1 319 . 1 1 27 27 TRP CH2 C 13 122.74 0.05 . 1 . . . . 27 TRP CH2 . 6757 1 320 . 1 1 28 28 ALA H H 1 7.75 0.01 . 1 . . . . 28 ALA H . 6757 1 321 . 1 1 28 28 ALA HA H 1 4.33 0.01 . 1 . . . . 28 ALA HA . 6757 1 322 . 1 1 28 28 ALA HB1 H 1 1.36 0.01 . 1 . . . . 28 ALA HB . 6757 1 323 . 1 1 28 28 ALA HB2 H 1 1.36 0.01 . 1 . . . . 28 ALA HB . 6757 1 324 . 1 1 28 28 ALA HB3 H 1 1.36 0.01 . 1 . . . . 28 ALA HB . 6757 1 325 . 1 1 28 28 ALA CA C 13 52.70 0.05 . 1 . . . . 28 ALA CA . 6757 1 326 . 1 1 28 28 ALA CB C 13 19.79 0.05 . 1 . . . . 28 ALA CB . 6757 1 stop_ save_ save_chemical_shifts_in_SDS_100_mM _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_in_SDS_100_mM _Assigned_chem_shift_list.Entry_ID 6757 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $303K _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _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 4 'TOCSY in SDS 100 mM' 2 $SDS_100_mM isotropic 6757 2 5 '1H_13C_HSQC in SDS 100 mM' 2 $SDS_100_mM isotropic 6757 2 6 'NOESY in SDS 100 mM' 2 $SDS_100_mM isotropic 6757 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Sparky_3.110 . . 6757 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 HA H 1 4.33 0.01 . 1 . . . . 1 SER HA . 6757 2 2 . 1 1 1 1 SER HB2 H 1 4.05 0.01 . 1 . . . . 1 SER HB2 . 6757 2 3 . 1 1 1 1 SER HB3 H 1 4.05 0.01 . 1 . . . . 1 SER HB3 . 6757 2 4 . 1 1 1 1 SER CB C 13 63.51 0.05 . 1 . . . . 1 SER CB . 6757 2 5 . 1 1 2 2 GLY H H 1 8.73 0.01 . 1 . . . . 2 GLY H . 6757 2 6 . 1 1 2 2 GLY HA2 H 1 3.95 0.01 . 1 . . . . 2 GLY HA2 . 6757 2 7 . 1 1 2 2 GLY HA3 H 1 3.95 0.01 . 1 . . . . 2 GLY HA3 . 6757 2 8 . 1 1 2 2 GLY CA C 13 46.37 0.05 . 1 . . . . 2 GLY CA . 6757 2 9 . 1 1 3 3 ASN H H 1 8.22 0.01 . 1 . . . . 3 ASN H . 6757 2 10 . 1 1 3 3 ASN HA H 1 4.69 0.01 . 1 . . . . 3 ASN HA . 6757 2 11 . 1 1 3 3 ASN HB2 H 1 2.80 0.01 . 2 . . . . 3 ASN HB2 . 6757 2 12 . 1 1 3 3 ASN HB3 H 1 2.87 0.01 . 2 . . . . 3 ASN HB3 . 6757 2 13 . 1 1 3 3 ASN HD21 H 1 6.64 0.01 . 2 . . . . 3 ASN HD21 . 6757 2 14 . 1 1 3 3 ASN HD22 H 1 7.46 0.01 . 2 . . . . 3 ASN HD22 . 6757 2 15 . 1 1 3 3 ASN CB C 13 38.90 0.05 . 1 . . . . 3 ASN CB . 6757 2 16 . 1 1 4 4 TYR H H 1 8.09 0.01 . 1 . . . . 4 TYR H . 6757 2 17 . 1 1 4 4 TYR HA H 1 4.27 0.01 . 1 . . . . 4 TYR HA . 6757 2 18 . 1 1 4 4 TYR HB2 H 1 3.04 0.02 . 2 . . . . 4 TYR HB2 . 6757 2 19 . 1 1 4 4 TYR HB3 H 1 3.21 0.01 . 2 . . . . 4 TYR HB3 . 6757 2 20 . 1 1 4 4 TYR HD1 H 1 7.15 0.01 . 1 . . . . 4 TYR HD1 . 6757 2 21 . 1 1 4 4 TYR HD2 H 1 7.15 0.01 . 1 . . . . 4 TYR HD2 . 6757 2 22 . 1 1 4 4 TYR HE1 H 1 6.83 0.02 . 1 . . . . 4 TYR HE1 . 6757 2 23 . 1 1 4 4 TYR HE2 H 1 6.83 0.02 . 1 . . . . 4 TYR HE2 . 6757 2 24 . 1 1 4 4 TYR CB C 13 38.97 0.03 . 1 . . . . 4 TYR CB . 6757 2 25 . 1 1 4 4 TYR CE1 C 13 118.76 0.05 . 1 . . . . 4 TYR CE1 . 6757 2 26 . 1 1 4 4 TYR CE2 C 13 118.76 0.05 . 1 . . . . 4 TYR CE2 . 6757 2 27 . 1 1 5 5 VAL H H 1 8.12 0.01 . 1 . . . . 5 VAL H . 6757 2 28 . 1 1 5 5 VAL HA H 1 3.53 0.01 . 1 . . . . 5 VAL HA . 6757 2 29 . 1 1 5 5 VAL HB H 1 2.24 0.01 . 1 . . . . 5 VAL HB . 6757 2 30 . 1 1 5 5 VAL HG11 H 1 1.12 0.01 . 1 . . . . 5 VAL HG1 . 6757 2 31 . 1 1 5 5 VAL HG12 H 1 1.12 0.01 . 1 . . . . 5 VAL HG1 . 6757 2 32 . 1 1 5 5 VAL HG13 H 1 1.12 0.01 . 1 . . . . 5 VAL HG1 . 6757 2 33 . 1 1 5 5 VAL HG21 H 1 0.94 0.01 . 1 . . . . 5 VAL HG2 . 6757 2 34 . 1 1 5 5 VAL HG22 H 1 0.94 0.01 . 1 . . . . 5 VAL HG2 . 6757 2 35 . 1 1 5 5 VAL HG23 H 1 0.94 0.01 . 1 . . . . 5 VAL HG2 . 6757 2 36 . 1 1 5 5 VAL CA C 13 67.15 0.05 . 1 . . . . 5 VAL CA . 6757 2 37 . 1 1 5 5 VAL CB C 13 31.46 0.05 . 1 . . . . 5 VAL CB . 6757 2 38 . 1 1 5 5 VAL CG1 C 13 23.84 0.05 . 2 . . . . 5 VAL CG1 . 6757 2 39 . 1 1 5 5 VAL CG2 C 13 21.98 0.05 . 2 . . . . 5 VAL CG2 . 6757 2 40 . 1 1 6 6 LEU H H 1 7.86 0.01 . 1 . . . . 6 LEU H . 6757 2 41 . 1 1 6 6 LEU HA H 1 3.90 0.01 . 1 . . . . 6 LEU HA . 6757 2 42 . 1 1 6 6 LEU HB2 H 1 1.49 0.01 . 2 . . . . 6 LEU HB2 . 6757 2 43 . 1 1 6 6 LEU HB3 H 1 1.65 0.01 . 2 . . . . 6 LEU HB3 . 6757 2 44 . 1 1 6 6 LEU HG H 1 1.66 0.01 . 1 . . . . 6 LEU HG . 6757 2 45 . 1 1 6 6 LEU HD11 H 1 0.92 0.01 . 1 . . . . 6 LEU HD1 . 6757 2 46 . 1 1 6 6 LEU HD12 H 1 0.92 0.01 . 1 . . . . 6 LEU HD1 . 6757 2 47 . 1 1 6 6 LEU HD13 H 1 0.92 0.01 . 1 . . . . 6 LEU HD1 . 6757 2 48 . 1 1 6 6 LEU HD21 H 1 0.86 0.01 . 1 . . . . 6 LEU HD2 . 6757 2 49 . 1 1 6 6 LEU HD22 H 1 0.86 0.01 . 1 . . . . 6 LEU HD2 . 6757 2 50 . 1 1 6 6 LEU HD23 H 1 0.86 0.01 . 1 . . . . 6 LEU HD2 . 6757 2 51 . 1 1 6 6 LEU CA C 13 58.55 0.05 . 1 . . . . 6 LEU CA . 6757 2 52 . 1 1 6 6 LEU CB C 13 41.51 0.03 . 1 . . . . 6 LEU CB . 6757 2 53 . 1 1 6 6 LEU CG C 13 27.50 0.05 . 1 . . . . 6 LEU CG . 6757 2 54 . 1 1 6 6 LEU CD1 C 13 25.26 0.05 . 2 . . . . 6 LEU CD1 . 6757 2 55 . 1 1 6 6 LEU CD2 C 13 24.13 0.05 . 2 . . . . 6 LEU CD2 . 6757 2 56 . 1 1 7 7 ASP H H 1 8.20 0.01 . 1 . . . . 7 ASP H . 6757 2 57 . 1 1 7 7 ASP HA H 1 4.44 0.01 . 1 . . . . 7 ASP HA . 6757 2 58 . 1 1 7 7 ASP HB2 H 1 2.91 0.01 . 2 . . . . 7 ASP HB2 . 6757 2 59 . 1 1 7 7 ASP HB3 H 1 3.05 0.02 . 2 . . . . 7 ASP HB3 . 6757 2 60 . 1 1 7 7 ASP CA C 13 56.91 0.05 . 1 . . . . 7 ASP CA . 6757 2 61 . 1 1 7 7 ASP CB C 13 37.85 0.05 . 1 . . . . 7 ASP CB . 6757 2 62 . 1 1 8 8 LEU H H 1 7.98 0.01 . 1 . . . . 8 LEU H . 6757 2 63 . 1 1 8 8 LEU HA H 1 4.12 0.01 . 1 . . . . 8 LEU HA . 6757 2 64 . 1 1 8 8 LEU HB2 H 1 1.77 0.01 . 1 . . . . 8 LEU HB2 . 6757 2 65 . 1 1 8 8 LEU HB3 H 1 1.77 0.01 . 1 . . . . 8 LEU HB3 . 6757 2 66 . 1 1 8 8 LEU HG H 1 1.60 0.01 . 1 . . . . 8 LEU HG . 6757 2 67 . 1 1 8 8 LEU HD11 H 1 0.89 0.01 . 1 . . . . 8 LEU HD1 . 6757 2 68 . 1 1 8 8 LEU HD12 H 1 0.89 0.01 . 1 . . . . 8 LEU HD1 . 6757 2 69 . 1 1 8 8 LEU HD13 H 1 0.89 0.01 . 1 . . . . 8 LEU HD1 . 6757 2 70 . 1 1 8 8 LEU HD21 H 1 0.89 0.01 . 1 . . . . 8 LEU HD2 . 6757 2 71 . 1 1 8 8 LEU HD22 H 1 0.89 0.01 . 1 . . . . 8 LEU HD2 . 6757 2 72 . 1 1 8 8 LEU HD23 H 1 0.89 0.01 . 1 . . . . 8 LEU HD2 . 6757 2 73 . 1 1 8 8 LEU CA C 13 58.61 0.05 . 1 . . . . 8 LEU CA . 6757 2 74 . 1 1 8 8 LEU CB C 13 42.27 0.05 . 1 . . . . 8 LEU CB . 6757 2 75 . 1 1 8 8 LEU CG C 13 27.34 0.05 . 1 . . . . 8 LEU CG . 6757 2 76 . 1 1 8 8 LEU CD1 C 13 25.73 0.05 . 1 . . . . 8 LEU CD1 . 6757 2 77 . 1 1 8 8 LEU CD2 C 13 25.73 0.05 . 1 . . . . 8 LEU CD2 . 6757 2 78 . 1 1 9 9 ILE H H 1 8.28 0.01 . 1 . . . . 9 ILE H . 6757 2 79 . 1 1 9 9 ILE HA H 1 3.60 0.01 . 1 . . . . 9 ILE HA . 6757 2 80 . 1 1 9 9 ILE HB H 1 2.01 0.01 . 1 . . . . 9 ILE HB . 6757 2 81 . 1 1 9 9 ILE HG12 H 1 1.11 0.01 . 2 . . . . 9 ILE HG12 . 6757 2 82 . 1 1 9 9 ILE HG13 H 1 1.83 0.01 . 2 . . . . 9 ILE HG13 . 6757 2 83 . 1 1 9 9 ILE HG21 H 1 0.89 0.01 . 1 . . . . 9 ILE HG2 . 6757 2 84 . 1 1 9 9 ILE HG22 H 1 0.89 0.01 . 1 . . . . 9 ILE HG2 . 6757 2 85 . 1 1 9 9 ILE HG23 H 1 0.89 0.01 . 1 . . . . 9 ILE HG2 . 6757 2 86 . 1 1 9 9 ILE HD11 H 1 0.81 0.01 . 1 . . . . 9 ILE HD1 . 6757 2 87 . 1 1 9 9 ILE HD12 H 1 0.81 0.01 . 1 . . . . 9 ILE HD1 . 6757 2 88 . 1 1 9 9 ILE HD13 H 1 0.81 0.01 . 1 . . . . 9 ILE HD1 . 6757 2 89 . 1 1 9 9 ILE CA C 13 65.90 0.05 . 1 . . . . 9 ILE CA . 6757 2 90 . 1 1 9 9 ILE CB C 13 37.86 0.05 . 1 . . . . 9 ILE CB . 6757 2 91 . 1 1 9 9 ILE CG1 C 13 29.47 0.04 . 1 . . . . 9 ILE CG1 . 6757 2 92 . 1 1 9 9 ILE CG2 C 13 17.90 0.05 . 1 . . . . 9 ILE CG2 . 6757 2 93 . 1 1 9 9 ILE CD1 C 13 13.76 0.05 . 1 . . . . 9 ILE CD1 . 6757 2 94 . 1 1 10 10 TYR H H 1 8.57 0.01 . 1 . . . . 10 TYR H . 6757 2 95 . 1 1 10 10 TYR HA H 1 4.29 0.01 . 1 . . . . 10 TYR HA . 6757 2 96 . 1 1 10 10 TYR HB2 H 1 3.20 0.01 . 1 . . . . 10 TYR HB2 . 6757 2 97 . 1 1 10 10 TYR HB3 H 1 3.20 0.01 . 1 . . . . 10 TYR HB3 . 6757 2 98 . 1 1 10 10 TYR HD1 H 1 7.13 0.01 . 1 . . . . 10 TYR HD1 . 6757 2 99 . 1 1 10 10 TYR HD2 H 1 7.13 0.01 . 1 . . . . 10 TYR HD2 . 6757 2 100 . 1 1 10 10 TYR HE1 H 1 6.81 0.01 . 1 . . . . 10 TYR HE1 . 6757 2 101 . 1 1 10 10 TYR HE2 H 1 6.81 0.01 . 1 . . . . 10 TYR HE2 . 6757 2 102 . 1 1 10 10 TYR CA C 13 58.71 0.05 . 1 . . . . 10 TYR CA . 6757 2 103 . 1 1 10 10 TYR CB C 13 38.31 0.05 . 1 . . . . 10 TYR CB . 6757 2 104 . 1 1 10 10 TYR CD1 C 13 133.12 0.05 . 1 . . . . 10 TYR CD1 . 6757 2 105 . 1 1 10 10 TYR CD2 C 13 133.12 0.05 . 1 . . . . 10 TYR CD2 . 6757 2 106 . 1 1 10 10 TYR CE1 C 13 118.59 0.05 . 1 . . . . 10 TYR CE1 . 6757 2 107 . 1 1 10 10 TYR CE2 C 13 118.59 0.05 . 1 . . . . 10 TYR CE2 . 6757 2 108 . 1 1 11 11 SER H H 1 8.26 0.01 . 1 . . . . 11 SER H . 6757 2 109 . 1 1 11 11 SER HA H 1 4.21 0.01 . 1 . . . . 11 SER HA . 6757 2 110 . 1 1 11 11 SER HB2 H 1 4.05 0.01 . 2 . . . . 11 SER HB2 . 6757 2 111 . 1 1 11 11 SER HB3 H 1 4.12 0.01 . 2 . . . . 11 SER HB3 . 6757 2 112 . 1 1 11 11 SER CA C 13 63.59 0.03 . 1 . . . . 11 SER CA . 6757 2 113 . 1 1 12 12 LEU H H 1 8.23 0.01 . 1 . . . . 12 LEU H . 6757 2 114 . 1 1 12 12 LEU HA H 1 4.23 0.01 . 1 . . . . 12 LEU HA . 6757 2 115 . 1 1 12 12 LEU HB2 H 1 1.59 0.01 . 2 . . . . 12 LEU HB2 . 6757 2 116 . 1 1 12 12 LEU HB3 H 1 1.90 0.01 . 2 . . . . 12 LEU HB3 . 6757 2 117 . 1 1 12 12 LEU HG H 1 1.87 0.01 . 1 . . . . 12 LEU HG . 6757 2 118 . 1 1 12 12 LEU HD11 H 1 0.89 0.01 . 1 . . . . 12 LEU HD1 . 6757 2 119 . 1 1 12 12 LEU HD12 H 1 0.89 0.01 . 1 . . . . 12 LEU HD1 . 6757 2 120 . 1 1 12 12 LEU HD13 H 1 0.89 0.01 . 1 . . . . 12 LEU HD1 . 6757 2 121 . 1 1 12 12 LEU HD21 H 1 0.89 0.01 . 1 . . . . 12 LEU HD2 . 6757 2 122 . 1 1 12 12 LEU HD22 H 1 0.89 0.01 . 1 . . . . 12 LEU HD2 . 6757 2 123 . 1 1 12 12 LEU HD23 H 1 0.89 0.01 . 1 . . . . 12 LEU HD2 . 6757 2 124 . 1 1 12 12 LEU CA C 13 57.38 0.05 . 1 . . . . 12 LEU CA . 6757 2 125 . 1 1 12 12 LEU CB C 13 42.37 0.05 . 1 . . . . 12 LEU CB . 6757 2 126 . 1 1 12 12 LEU CG C 13 27.08 0.05 . 1 . . . . 12 LEU CG . 6757 2 127 . 1 1 12 12 LEU CD1 C 13 23.49 0.05 . 1 . . . . 12 LEU CD1 . 6757 2 128 . 1 1 12 12 LEU CD2 C 13 23.49 0.05 . 1 . . . . 12 LEU CD2 . 6757 2 129 . 1 1 13 13 HIS H H 1 8.27 0.01 . 1 . . . . 13 HIS H . 6757 2 130 . 1 1 13 13 HIS HA H 1 4.46 0.01 . 1 . . . . 13 HIS HA . 6757 2 131 . 1 1 13 13 HIS HB2 H 1 3.25 0.02 . 2 . . . . 13 HIS HB2 . 6757 2 132 . 1 1 13 13 HIS HB3 H 1 3.46 0.01 . 2 . . . . 13 HIS HB3 . 6757 2 133 . 1 1 13 13 HIS HD2 H 1 7.32 0.01 . 1 . . . . 13 HIS HD2 . 6757 2 134 . 1 1 13 13 HIS HE1 H 1 8.69 0.01 . 1 . . . . 13 HIS HE1 . 6757 2 135 . 1 1 13 13 HIS HE2 H 1 7.29 0.01 . 1 . . . . 13 HIS HE2 . 6757 2 136 . 1 1 13 13 HIS CA C 13 56.51 0.05 . 1 . . . . 13 HIS CA . 6757 2 137 . 1 1 13 13 HIS CB C 13 38.58 0.05 . 1 . . . . 13 HIS CB . 6757 2 138 . 1 1 13 13 HIS CD2 C 13 120.90 0.05 . 1 . . . . 13 HIS CD2 . 6757 2 139 . 1 1 14 14 LYS H H 1 7.90 0.01 . 1 . . . . 14 LYS H . 6757 2 140 . 1 1 14 14 LYS HA H 1 4.01 0.01 . 1 . . . . 14 LYS HA . 6757 2 141 . 1 1 14 14 LYS HB2 H 1 1.80 0.01 . 1 . . . . 14 LYS HB2 . 6757 2 142 . 1 1 14 14 LYS HB3 H 1 1.80 0.01 . 1 . . . . 14 LYS HB3 . 6757 2 143 . 1 1 14 14 LYS HG2 H 1 1.32 0.01 . 1 . . . . 14 LYS HG2 . 6757 2 144 . 1 1 14 14 LYS HG3 H 1 1.32 0.01 . 1 . . . . 14 LYS HG3 . 6757 2 145 . 1 1 14 14 LYS HD2 H 1 1.63 0.01 . 1 . . . . 14 LYS HD2 . 6757 2 146 . 1 1 14 14 LYS HD3 H 1 1.63 0.01 . 1 . . . . 14 LYS HD3 . 6757 2 147 . 1 1 14 14 LYS HE2 H 1 2.97 0.02 . 1 . . . . 14 LYS HE2 . 6757 2 148 . 1 1 14 14 LYS HE3 H 1 2.97 0.02 . 1 . . . . 14 LYS HE3 . 6757 2 149 . 1 1 14 14 LYS HZ1 H 1 7.49 0.01 . 1 . . . . 14 LYS HZ . 6757 2 150 . 1 1 14 14 LYS HZ2 H 1 7.49 0.01 . 1 . . . . 14 LYS HZ . 6757 2 151 . 1 1 14 14 LYS HZ3 H 1 7.49 0.01 . 1 . . . . 14 LYS HZ . 6757 2 152 . 1 1 14 14 LYS CA C 13 58.99 0.05 . 1 . . . . 14 LYS CA . 6757 2 153 . 1 1 14 14 LYS CB C 13 32.62 0.05 . 1 . . . . 14 LYS CB . 6757 2 154 . 1 1 14 14 LYS CG C 13 25.14 0.05 . 1 . . . . 14 LYS CG . 6757 2 155 . 1 1 14 14 LYS CD C 13 29.26 0.05 . 1 . . . . 14 LYS CD . 6757 2 156 . 1 1 14 14 LYS CE C 13 42.52 0.05 . 1 . . . . 14 LYS CE . 6757 2 157 . 1 1 15 15 GLN H H 1 7.93 0.01 . 1 . . . . 15 GLN H . 6757 2 158 . 1 1 15 15 GLN HA H 1 4.27 0.01 . 1 . . . . 15 GLN HA . 6757 2 159 . 1 1 15 15 GLN HB2 H 1 2.10 0.04 . 2 . . . . 15 GLN HB2 . 6757 2 160 . 1 1 15 15 GLN HB3 H 1 2.14 0.03 . 2 . . . . 15 GLN HB3 . 6757 2 161 . 1 1 15 15 GLN HG2 H 1 2.39 0.01 . 2 . . . . 15 GLN HG2 . 6757 2 162 . 1 1 15 15 GLN HG3 H 1 2.44 0.01 . 2 . . . . 15 GLN HG3 . 6757 2 163 . 1 1 15 15 GLN HE21 H 1 7.34 0.01 . 2 . . . . 15 GLN HE21 . 6757 2 164 . 1 1 15 15 GLN HE22 H 1 6.73 0.01 . 2 . . . . 15 GLN HE22 . 6757 2 165 . 1 1 15 15 GLN CA C 13 57.35 0.05 . 1 . . . . 15 GLN CA . 6757 2 166 . 1 1 15 15 GLN CB C 13 29.64 0.03 . 1 . . . . 15 GLN CB . 6757 2 167 . 1 1 15 15 GLN CG C 13 34.07 0.01 . 1 . . . . 15 GLN CG . 6757 2 168 . 1 1 16 16 ILE H H 1 7.95 0.01 . 1 . . . . 16 ILE H . 6757 2 169 . 1 1 16 16 ILE HA H 1 4.03 0.01 . 1 . . . . 16 ILE HA . 6757 2 170 . 1 1 16 16 ILE HB H 1 1.95 0.01 . 1 . . . . 16 ILE HB . 6757 2 171 . 1 1 16 16 ILE HG12 H 1 1.16 0.01 . 2 . . . . 16 ILE HG12 . 6757 2 172 . 1 1 16 16 ILE HG13 H 1 1.63 0.01 . 2 . . . . 16 ILE HG13 . 6757 2 173 . 1 1 16 16 ILE HG21 H 1 0.95 0.01 . 1 . . . . 16 ILE HG2 . 6757 2 174 . 1 1 16 16 ILE HG22 H 1 0.95 0.01 . 1 . . . . 16 ILE HG2 . 6757 2 175 . 1 1 16 16 ILE HG23 H 1 0.95 0.01 . 1 . . . . 16 ILE HG2 . 6757 2 176 . 1 1 16 16 ILE HD11 H 1 0.88 0.02 . 1 . . . . 16 ILE HD1 . 6757 2 177 . 1 1 16 16 ILE HD12 H 1 0.88 0.02 . 1 . . . . 16 ILE HD1 . 6757 2 178 . 1 1 16 16 ILE HD13 H 1 0.88 0.02 . 1 . . . . 16 ILE HD1 . 6757 2 179 . 1 1 16 16 ILE CA C 13 63.43 0.05 . 1 . . . . 16 ILE CA . 6757 2 180 . 1 1 16 16 ILE CB C 13 38.75 0.05 . 1 . . . . 16 ILE CB . 6757 2 181 . 1 1 16 16 ILE CG1 C 13 28.27 0.05 . 1 . . . . 16 ILE CG1 . 6757 2 182 . 1 1 16 16 ILE CG2 C 13 17.93 0.05 . 1 . . . . 16 ILE CG2 . 6757 2 183 . 1 1 16 16 ILE CD1 C 13 13.77 0.05 . 1 . . . . 16 ILE CD1 . 6757 2 184 . 1 1 17 17 ASN H H 1 8.19 0.01 . 1 . . . . 17 ASN H . 6757 2 185 . 1 1 17 17 ASN HA H 1 4.63 0.01 . 1 . . . . 17 ASN HA . 6757 2 186 . 1 1 17 17 ASN HB2 H 1 2.71 0.01 . 2 . . . . 17 ASN HB2 . 6757 2 187 . 1 1 17 17 ASN HB3 H 1 2.86 0.01 . 2 . . . . 17 ASN HB3 . 6757 2 188 . 1 1 17 17 ASN HD21 H 1 6.70 0.01 . 2 . . . . 17 ASN HD21 . 6757 2 189 . 1 1 17 17 ASN HD22 H 1 7.49 0.01 . 2 . . . . 17 ASN HD22 . 6757 2 190 . 1 1 17 17 ASN CB C 13 39.15 0.05 . 1 . . . . 17 ASN CB . 6757 2 191 . 1 1 18 18 ARG H H 1 8.10 0.01 . 1 . . . . 18 ARG H . 6757 2 192 . 1 1 18 18 ARG HA H 1 4.33 0.01 . 1 . . . . 18 ARG HA . 6757 2 193 . 1 1 18 18 ARG HB2 H 1 1.84 0.01 . 2 . . . . 18 ARG HB2 . 6757 2 194 . 1 1 18 18 ARG HB3 H 1 2.00 0.01 . 2 . . . . 18 ARG HB3 . 6757 2 195 . 1 1 18 18 ARG HG2 H 1 1.68 0.01 . 2 . . . . 18 ARG HG3 . 6757 2 196 . 1 1 18 18 ARG HG3 H 1 1.74 0.01 . 2 . . . . 18 ARG HG3 . 6757 2 197 . 1 1 18 18 ARG HD2 H 1 3.21 0.01 . 1 . . . . 18 ARG HD2 . 6757 2 198 . 1 1 18 18 ARG HD3 H 1 3.21 0.01 . 1 . . . . 18 ARG HD3 . 6757 2 199 . 1 1 18 18 ARG HE H 1 7.19 0.01 . 1 . . . . 18 ARG HE . 6757 2 200 . 1 1 18 18 ARG CA C 13 57.00 0.05 . 1 . . . . 18 ARG CA . 6757 2 201 . 1 1 18 18 ARG CB C 13 31.02 0.05 . 1 . . . . 18 ARG CB . 6757 2 202 . 1 1 18 18 ARG CG C 13 27.46 0.06 . 1 . . . . 18 ARG CG . 6757 2 203 . 1 1 18 18 ARG CD C 13 43.73 0.05 . 1 . . . . 18 ARG CD . 6757 2 204 . 1 1 19 19 GLY H H 1 8.22 0.01 . 1 . . . . 19 GLY H . 6757 2 205 . 1 1 19 19 GLY HA2 H 1 4.09 0.01 . 1 . . . . 19 GLY HA2 . 6757 2 206 . 1 1 19 19 GLY HA3 H 1 4.09 0.01 . 1 . . . . 19 GLY HA3 . 6757 2 207 . 1 1 19 19 GLY CA C 13 46.51 0.05 . 1 . . . . 19 GLY CA . 6757 2 208 . 1 1 20 20 LEU H H 1 8.26 0.01 . 1 . . . . 20 LEU H . 6757 2 209 . 1 1 20 20 LEU HA H 1 4.08 0.01 . 1 . . . . 20 LEU HA . 6757 2 210 . 1 1 20 20 LEU HB2 H 1 1.56 0.01 . 2 . . . . 20 LEU HB2 . 6757 2 211 . 1 1 20 20 LEU HB3 H 1 1.84 0.01 . 2 . . . . 20 LEU HB3 . 6757 2 212 . 1 1 20 20 LEU HD11 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 2 213 . 1 1 20 20 LEU HD12 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 2 214 . 1 1 20 20 LEU HD13 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 2 215 . 1 1 20 20 LEU HD21 H 1 0.86 0.01 . 1 . . . . 20 LEU HD2 . 6757 2 216 . 1 1 20 20 LEU HD22 H 1 0.86 0.01 . 1 . . . . 20 LEU HD2 . 6757 2 217 . 1 1 20 20 LEU HD23 H 1 0.86 0.01 . 1 . . . . 20 LEU HD2 . 6757 2 218 . 1 1 20 20 LEU CA C 13 57.96 0.05 . 1 . . . . 20 LEU CA . 6757 2 219 . 1 1 20 20 LEU CB C 13 42.27 0.02 . 1 . . . . 20 LEU CB . 6757 2 220 . 1 1 20 20 LEU CD1 C 13 25.47 0.05 . 2 . . . . 20 LEU CD1 . 6757 2 221 . 1 1 20 20 LEU CD2 C 13 23.93 0.05 . 2 . . . . 20 LEU CD2 . 6757 2 222 . 1 1 21 21 LYS H H 1 8.23 0.01 . 1 . . . . 21 LYS H . 6757 2 223 . 1 1 21 21 LYS HA H 1 3.86 0.01 . 1 . . . . 21 LYS HA . 6757 2 224 . 1 1 21 21 LYS HB2 H 1 1.87 0.01 . 1 . . . . 21 LYS HB2 . 6757 2 225 . 1 1 21 21 LYS HB3 H 1 1.87 0.01 . 1 . . . . 21 LYS HB3 . 6757 2 226 . 1 1 21 21 LYS HG2 H 1 1.37 0.01 . 2 . . . . 21 LYS HG3 . 6757 2 227 . 1 1 21 21 LYS HG3 H 1 1.49 0.01 . 2 . . . . 21 LYS HG3 . 6757 2 228 . 1 1 21 21 LYS HD2 H 1 1.74 0.01 . 1 . . . . 21 LYS HD2 . 6757 2 229 . 1 1 21 21 LYS HD3 H 1 1.74 0.01 . 1 . . . . 21 LYS HD3 . 6757 2 230 . 1 1 21 21 LYS HE2 H 1 2.98 0.01 . 1 . . . . 21 LYS HE2 . 6757 2 231 . 1 1 21 21 LYS HE3 H 1 2.98 0.01 . 1 . . . . 21 LYS HE3 . 6757 2 232 . 1 1 21 21 LYS HZ1 H 1 7.49 0.01 . 1 . . . . 21 LYS HZ . 6757 2 233 . 1 1 21 21 LYS HZ2 H 1 7.49 0.01 . 1 . . . . 21 LYS HZ . 6757 2 234 . 1 1 21 21 LYS HZ3 H 1 7.49 0.01 . 1 . . . . 21 LYS HZ . 6757 2 235 . 1 1 21 21 LYS CA C 13 60.36 0.05 . 1 . . . . 21 LYS CA . 6757 2 236 . 1 1 21 21 LYS CB C 13 32.54 0.05 . 1 . . . . 21 LYS CB . 6757 2 237 . 1 1 21 21 LYS CG C 13 25.52 0.01 . 1 . . . . 21 LYS CG . 6757 2 238 . 1 1 21 21 LYS CD C 13 29.92 0.05 . 1 . . . . 21 LYS CD . 6757 2 239 . 1 1 21 21 LYS CE C 13 42.52 0.05 . 1 . . . . 21 LYS CE . 6757 2 240 . 1 1 22 22 LYS H H 1 7.58 0.01 . 1 . . . . 22 LYS H . 6757 2 241 . 1 1 22 22 LYS HA H 1 4.01 0.01 . 1 . . . . 22 LYS HA . 6757 2 242 . 1 1 22 22 LYS HB2 H 1 1.90 0.01 . 1 . . . . 22 LYS HB2 . 6757 2 243 . 1 1 22 22 LYS HB3 H 1 1.90 0.01 . 1 . . . . 22 LYS HB3 . 6757 2 244 . 1 1 22 22 LYS HG2 H 1 1.44 0.01 . 2 . . . . 22 LYS HG3 . 6757 2 245 . 1 1 22 22 LYS HG3 H 1 1.50 0.01 . 2 . . . . 22 LYS HG3 . 6757 2 246 . 1 1 22 22 LYS HD2 H 1 1.70 0.01 . 1 . . . . 22 LYS HD2 . 6757 2 247 . 1 1 22 22 LYS HD3 H 1 1.70 0.01 . 1 . . . . 22 LYS HD3 . 6757 2 248 . 1 1 22 22 LYS HE2 H 1 3.00 0.01 . 1 . . . . 22 LYS HE2 . 6757 2 249 . 1 1 22 22 LYS HE3 H 1 3.00 0.01 . 1 . . . . 22 LYS HE3 . 6757 2 250 . 1 1 22 22 LYS HZ1 H 1 7.47 0.01 . 1 . . . . 22 LYS HZ . 6757 2 251 . 1 1 22 22 LYS HZ2 H 1 7.47 0.01 . 1 . . . . 22 LYS HZ . 6757 2 252 . 1 1 22 22 LYS HZ3 H 1 7.47 0.01 . 1 . . . . 22 LYS HZ . 6757 2 253 . 1 1 22 22 LYS CA C 13 58.99 0.05 . 1 . . . . 22 LYS CA . 6757 2 254 . 1 1 22 22 LYS CB C 13 32.60 0.05 . 1 . . . . 22 LYS CB . 6757 2 255 . 1 1 22 22 LYS CG C 13 25.47 0.01 . 1 . . . . 22 LYS CG . 6757 2 256 . 1 1 22 22 LYS CD C 13 29.67 0.05 . 1 . . . . 22 LYS CD . 6757 2 257 . 1 1 22 22 LYS CE C 13 42.52 0.05 . 1 . . . . 22 LYS CE . 6757 2 258 . 1 1 23 23 ILE H H 1 7.63 0.01 . 1 . . . . 23 ILE H . 6757 2 259 . 1 1 23 23 ILE HA H 1 3.83 0.01 . 1 . . . . 23 ILE HA . 6757 2 260 . 1 1 23 23 ILE HB H 1 1.96 0.01 . 1 . . . . 23 ILE HB . 6757 2 261 . 1 1 23 23 ILE HG12 H 1 1.22 0.01 . 2 . . . . 23 ILE HG12 . 6757 2 262 . 1 1 23 23 ILE HG13 H 1 1.67 0.02 . 2 . . . . 23 ILE HG13 . 6757 2 263 . 1 1 23 23 ILE HG21 H 1 0.83 0.01 . 1 . . . . 23 ILE HG2 . 6757 2 264 . 1 1 23 23 ILE HG22 H 1 0.83 0.01 . 1 . . . . 23 ILE HG2 . 6757 2 265 . 1 1 23 23 ILE HG23 H 1 0.83 0.01 . 1 . . . . 23 ILE HG2 . 6757 2 266 . 1 1 23 23 ILE HD11 H 1 0.87 0.01 . 1 . . . . 23 ILE HD1 . 6757 2 267 . 1 1 23 23 ILE HD12 H 1 0.87 0.01 . 1 . . . . 23 ILE HD1 . 6757 2 268 . 1 1 23 23 ILE HD13 H 1 0.87 0.01 . 1 . . . . 23 ILE HD1 . 6757 2 269 . 1 1 23 23 ILE CA C 13 64.21 0.05 . 1 . . . . 23 ILE CA . 6757 2 270 . 1 1 23 23 ILE CB C 13 38.75 0.05 . 1 . . . . 23 ILE CB . 6757 2 271 . 1 1 23 23 ILE CG1 C 13 28.76 0.01 . 1 . . . . 23 ILE CG1 . 6757 2 272 . 1 1 23 23 ILE CG2 C 13 17.56 0.05 . 1 . . . . 23 ILE CG2 . 6757 2 273 . 1 1 23 23 ILE CD1 C 13 13.77 0.05 . 1 . . . . 23 ILE CD1 . 6757 2 274 . 1 1 24 24 VAL H H 1 7.92 0.01 . 1 . . . . 24 VAL H . 6757 2 275 . 1 1 24 24 VAL HA H 1 3.63 0.01 . 1 . . . . 24 VAL HA . 6757 2 276 . 1 1 24 24 VAL HB H 1 2.10 0.01 . 1 . . . . 24 VAL HB . 6757 2 277 . 1 1 24 24 VAL HG11 H 1 0.98 0.01 . 1 . . . . 24 VAL HG1 . 6757 2 278 . 1 1 24 24 VAL HG12 H 1 0.98 0.01 . 1 . . . . 24 VAL HG1 . 6757 2 279 . 1 1 24 24 VAL HG13 H 1 0.98 0.01 . 1 . . . . 24 VAL HG1 . 6757 2 280 . 1 1 24 24 VAL HG21 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 2 281 . 1 1 24 24 VAL HG22 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 2 282 . 1 1 24 24 VAL HG23 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 2 283 . 1 1 24 24 VAL CA C 13 65.90 0.05 . 1 . . . . 24 VAL CA . 6757 2 284 . 1 1 24 24 VAL CB C 13 32.16 0.05 . 1 . . . . 24 VAL CB . 6757 2 285 . 1 1 24 24 VAL CG1 C 13 22.46 0.05 . 2 . . . . 24 VAL CG1 . 6757 2 286 . 1 1 24 24 VAL CG2 C 13 21.98 0.05 . 2 . . . . 24 VAL CG2 . 6757 2 287 . 1 1 25 25 LEU H H 1 8.07 0.01 . 1 . . . . 25 LEU H . 6757 2 288 . 1 1 25 25 LEU HA H 1 4.18 0.01 . 1 . . . . 25 LEU HA . 6757 2 289 . 1 1 25 25 LEU HB2 H 1 1.52 0.01 . 2 . . . . 25 LEU HB2 . 6757 2 290 . 1 1 25 25 LEU HB3 H 1 1.78 0.01 . 2 . . . . 25 LEU HB3 . 6757 2 291 . 1 1 25 25 LEU HG H 1 1.75 0.01 . 1 . . . . 25 LEU HG . 6757 2 292 . 1 1 25 25 LEU HD11 H 1 0.89 0.01 . 1 . . . . 25 LEU HD1 . 6757 2 293 . 1 1 25 25 LEU HD12 H 1 0.89 0.01 . 1 . . . . 25 LEU HD1 . 6757 2 294 . 1 1 25 25 LEU HD13 H 1 0.89 0.01 . 1 . . . . 25 LEU HD1 . 6757 2 295 . 1 1 25 25 LEU HD21 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 2 296 . 1 1 25 25 LEU HD22 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 2 297 . 1 1 25 25 LEU HD23 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 2 298 . 1 1 25 25 LEU CA C 13 57.14 0.05 . 1 . . . . 25 LEU CA . 6757 2 299 . 1 1 25 25 LEU CB C 13 41.78 0.03 . 1 . . . . 25 LEU CB . 6757 2 300 . 1 1 25 25 LEU CG C 13 27.59 0.05 . 1 . . . . 25 LEU CG . 6757 2 301 . 1 1 25 25 LEU CD1 C 13 24.96 0.05 . 1 . . . . 25 LEU CD1 . 6757 2 302 . 1 1 25 25 LEU CD2 C 13 24.96 0.05 . 1 . . . . 25 LEU CD2 . 6757 2 303 . 1 1 26 26 GLY H H 1 7.76 0.01 . 1 . . . . 26 GLY H . 6757 2 304 . 1 1 26 26 GLY HA2 H 1 3.84 0.01 . 2 . . . . 26 GLY HA2 . 6757 2 305 . 1 1 26 26 GLY HA3 H 1 3.99 0.02 . 2 . . . . 26 GLY HA3 . 6757 2 306 . 1 1 26 26 GLY CA C 13 46.42 0.01 . 1 . . . . 26 GLY CA . 6757 2 307 . 1 1 27 27 TRP H H 1 7.68 0.01 . 1 . . . . 27 TRP H . 6757 2 308 . 1 1 27 27 TRP HA H 1 4.63 0.01 . 1 . . . . 27 TRP HA . 6757 2 309 . 1 1 27 27 TRP HB2 H 1 3.36 0.01 . 1 . . . . 27 TRP HB2 . 6757 2 310 . 1 1 27 27 TRP HB3 H 1 3.36 0.01 . 1 . . . . 27 TRP HB3 . 6757 2 311 . 1 1 27 27 TRP HD1 H 1 7.25 0.01 . 1 . . . . 27 TRP HD1 . 6757 2 312 . 1 1 27 27 TRP HE1 H 1 9.85 0.01 . 1 . . . . 27 TRP HE1 . 6757 2 313 . 1 1 27 27 TRP HE3 H 1 7.47 0.07 . 1 . . . . 27 TRP HE3 . 6757 2 314 . 1 1 27 27 TRP HZ2 H 1 7.48 0.09 . 1 . . . . 27 TRP HZ2 . 6757 2 315 . 1 1 27 27 TRP HZ3 H 1 6.99 0.01 . 1 . . . . 27 TRP HZ3 . 6757 2 316 . 1 1 27 27 TRP HH2 H 1 7.08 0.01 . 1 . . . . 27 TRP HH2 . 6757 2 317 . 1 1 27 27 TRP CB C 13 30.51 0.05 . 1 . . . . 27 TRP CB . 6757 2 318 . 1 1 27 27 TRP CD1 C 13 126.67 0.05 . 1 . . . . 27 TRP CD1 . 6757 2 319 . 1 1 27 27 TRP CE3 C 13 120.95 0.05 . 1 . . . . 27 TRP CE3 . 6757 2 320 . 1 1 27 27 TRP CZ2 C 13 114.71 0.05 . 1 . . . . 27 TRP CZ2 . 6757 2 321 . 1 1 27 27 TRP CZ3 C 13 121.69 0.05 . 1 . . . . 27 TRP CZ3 . 6757 2 322 . 1 1 27 27 TRP CH2 C 13 124.36 0.05 . 1 . . . . 27 TRP CH2 . 6757 2 323 . 1 1 28 28 ALA H H 1 7.84 0.01 . 1 . . . . 28 ALA H . 6757 2 324 . 1 1 28 28 ALA HA H 1 4.17 0.01 . 1 . . . . 28 ALA HA . 6757 2 325 . 1 1 28 28 ALA HB1 H 1 1.40 0.01 . 1 . . . . 28 ALA HB . 6757 2 326 . 1 1 28 28 ALA HB2 H 1 1.40 0.01 . 1 . . . . 28 ALA HB . 6757 2 327 . 1 1 28 28 ALA HB3 H 1 1.40 0.01 . 1 . . . . 28 ALA HB . 6757 2 328 . 1 1 28 28 ALA CA C 13 52.10 0.05 . 1 . . . . 28 ALA CA . 6757 2 329 . 1 1 28 28 ALA CB C 13 19.45 0.05 . 1 . . . . 28 ALA CB . 6757 2 stop_ save_