data_6087 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6087 _Entry.Title ; Conformation and Ion-Channeling activity of the hepatitis C virus p7 polypeptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-01-29 _Entry.Accession_date 2004-01-29 _Entry.Last_release_date . _Entry.Original_release_date . _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 Roland Montserret . . . 6087 2 Nathalie Saint . . . 6087 3 'Jean Pierre' Simorre . . . 6087 4 Francois Penin . . . 6087 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6087 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 472 6087 '13C chemical shifts' 167 6087 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-08-12 2004-01-29 update BMRB 'update entry citation' 6087 1 . . 2005-01-20 2004-01-29 original author 'original release' 6087 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15951 'HCV p7 tm2 fragment' 6087 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6087 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20667830 _Citation.Full_citation . _Citation.Title 'NMR structure and ion channel activity of the p7 protein from hepatitis C virus' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'Journal of Biological Chemistry' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2010 _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 Roland Montserret . . . 6087 1 2 Nathalie Saint . . . 6087 1 3 Christophe Vanbelle . . . 6087 1 4 Andres Salvay . . . 6087 1 5 Jean-Pierre Simorre . . . 6087 1 6 Christine Ebel . . . 6087 1 7 Nicolas Sapay . . . 6087 1 8 Jean-Guillaume Renisio . . . 6087 1 9 Anja Bockmann . . . 6087 1 10 Eike Steinmann . . . 6087 1 11 Thomas Pietschmann . . . 6087 1 12 Jean Dubuisson . . . 6087 1 13 Christophe Chipot . . . 6087 1 14 Francois Penin . . . 6087 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 6087 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19009258 _Citation.Full_citation . _Citation.Title 'Structural and functional analysis of the HCV p7 protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Methods Mol. Biol.' _Citation.Journal_name_full 'Methods in molecular biology' _Citation.Journal_volume 510 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 125 _Citation.Page_last 43 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nathalie Saint . . . 6087 2 2 Roland Montserret . . . 6087 2 3 Christophe Chipot . . . 6087 2 4 Francois Penin . . . 6087 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_p7 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_p7 _Assembly.Entry_ID 6087 _Assembly.ID 1 _Assembly.Name 'HCV p7' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 6087 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 'HCV p7' 1 $p7 . . . native . . . . . 6087 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HCV p7' system 6087 1 p7 abbreviation 6087 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID viroporin 6087 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p7 _Entity.Sf_category entity _Entity.Sf_framecode p7 _Entity.Entry_ID 6087 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p7 _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 ; TLENLVVLNAASVAGAHGLL SFLVFFAAAWYIKGRLVPGA AYALYGVWPLLLLLLALPPR AYA ; _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 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6698.16 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'mutation : C27A' _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 DBJ BAA03905 . "polyprotein precursor [Hepatitis C virus genotype 2]" . . . . . 100.00 2284 98.41 98.41 1.01e-29 . . . . 6087 1 2 no DBJ BAA05974 . "fusion protein, composed of HCV p21 (NS2), E.coli dihydroforate reductase, substrate polypeptide for HCV serine proteinase and " . . . . . 100.00 847 98.41 98.41 2.23e-29 . . . . 6087 1 3 no DBJ BAA05975 . "fusion protein, composed of HCV p21 (NS2), HCV p70 (NS3) and TAX of HTLV-I [synthetic construct]" . . . . . 100.00 1288 98.41 98.41 1.38e-29 . . . . 6087 1 4 no DBJ BAA14035 . "unnamed protein product [Hepatitis C virus]" . . . . . 100.00 3010 98.41 98.41 1.93e-29 . . . . 6087 1 5 no DBJ BAA14233 . "unnamed protein product [Hepatitis C virus]" . . . . . 100.00 3010 98.41 98.41 1.90e-29 . . . . 6087 1 6 no EMBL CAC81084 . "non-structural protein [Hepatitis C virus subtype 1b]" . . . . . 57.14 70 97.22 100.00 3.00e-05 . . . . 6087 1 7 no EMBL CAC81085 . "non-structural protein [Hepatitis C virus subtype 1b]" . . . . . 57.14 70 97.22 100.00 2.50e-05 . . . . 6087 1 8 no EMBL CAC81086 . "non-structural protein [Hepatitis C virus subtype 1b]" . . . . . 57.14 70 97.22 100.00 2.50e-05 . . . . 6087 1 9 no EMBL CAC81087 . "non-structural protein [Hepatitis C virus subtype 1b]" . . . . . 57.14 70 97.22 100.00 2.50e-05 . . . . 6087 1 10 no EMBL CAC81088 . "non-structural protein [Hepatitis C virus subtype 1b]" . . . . . 57.14 70 97.22 100.00 2.68e-05 . . . . 6087 1 11 no GB AAK08509 . "polyprotein [Hepatitis C virus subtype 1b]" . . . . . 100.00 3010 98.41 98.41 1.72e-29 . . . . 6087 1 12 no GB ABV46113 . "polyprotein [Hepatitis C virus subtype 1b]" . . . . . 98.41 3011 98.39 98.39 7.51e-29 . . . . 6087 1 13 no GB ACA50684 . "polyprotein [Hepatitis C virus subtype 1b]" . . . . . 98.41 3012 98.39 98.39 7.44e-29 . . . . 6087 1 14 no GB ACT67346 . "polyprotein [Hepatitis C virus]" . . . . . 98.41 231 98.39 98.39 2.97e-30 . . . . 6087 1 15 no GB ADV92207 . "polyprotein [Hepatitis C virus subtype 1b]" . . . . . 98.41 559 98.39 98.39 5.52e-29 . . . . 6087 1 16 no SP P26662 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 3010 98.41 98.41 1.90e-29 . . . . 6087 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID p7 common 6087 1 p7 abbreviation 6087 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 . THR . 6087 1 2 . LEU . 6087 1 3 . GLU . 6087 1 4 . ASN . 6087 1 5 . LEU . 6087 1 6 . VAL . 6087 1 7 . VAL . 6087 1 8 . LEU . 6087 1 9 . ASN . 6087 1 10 . ALA . 6087 1 11 . ALA . 6087 1 12 . SER . 6087 1 13 . VAL . 6087 1 14 . ALA . 6087 1 15 . GLY . 6087 1 16 . ALA . 6087 1 17 . HIS . 6087 1 18 . GLY . 6087 1 19 . LEU . 6087 1 20 . LEU . 6087 1 21 . SER . 6087 1 22 . PHE . 6087 1 23 . LEU . 6087 1 24 . VAL . 6087 1 25 . PHE . 6087 1 26 . PHE . 6087 1 27 . ALA . 6087 1 28 . ALA . 6087 1 29 . ALA . 6087 1 30 . TRP . 6087 1 31 . TYR . 6087 1 32 . ILE . 6087 1 33 . LYS . 6087 1 34 . GLY . 6087 1 35 . ARG . 6087 1 36 . LEU . 6087 1 37 . VAL . 6087 1 38 . PRO . 6087 1 39 . GLY . 6087 1 40 . ALA . 6087 1 41 . ALA . 6087 1 42 . TYR . 6087 1 43 . ALA . 6087 1 44 . LEU . 6087 1 45 . TYR . 6087 1 46 . GLY . 6087 1 47 . VAL . 6087 1 48 . TRP . 6087 1 49 . PRO . 6087 1 50 . LEU . 6087 1 51 . LEU . 6087 1 52 . LEU . 6087 1 53 . LEU . 6087 1 54 . LEU . 6087 1 55 . LEU . 6087 1 56 . ALA . 6087 1 57 . LEU . 6087 1 58 . PRO . 6087 1 59 . PRO . 6087 1 60 . ARG . 6087 1 61 . ALA . 6087 1 62 . TYR . 6087 1 63 . ALA . 6087 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 . THR 1 1 6087 1 . LEU 2 2 6087 1 . GLU 3 3 6087 1 . ASN 4 4 6087 1 . LEU 5 5 6087 1 . VAL 6 6 6087 1 . VAL 7 7 6087 1 . LEU 8 8 6087 1 . ASN 9 9 6087 1 . ALA 10 10 6087 1 . ALA 11 11 6087 1 . SER 12 12 6087 1 . VAL 13 13 6087 1 . ALA 14 14 6087 1 . GLY 15 15 6087 1 . ALA 16 16 6087 1 . HIS 17 17 6087 1 . GLY 18 18 6087 1 . LEU 19 19 6087 1 . LEU 20 20 6087 1 . SER 21 21 6087 1 . PHE 22 22 6087 1 . LEU 23 23 6087 1 . VAL 24 24 6087 1 . PHE 25 25 6087 1 . PHE 26 26 6087 1 . ALA 27 27 6087 1 . ALA 28 28 6087 1 . ALA 29 29 6087 1 . TRP 30 30 6087 1 . TYR 31 31 6087 1 . ILE 32 32 6087 1 . LYS 33 33 6087 1 . GLY 34 34 6087 1 . ARG 35 35 6087 1 . LEU 36 36 6087 1 . VAL 37 37 6087 1 . PRO 38 38 6087 1 . GLY 39 39 6087 1 . ALA 40 40 6087 1 . ALA 41 41 6087 1 . TYR 42 42 6087 1 . ALA 43 43 6087 1 . LEU 44 44 6087 1 . TYR 45 45 6087 1 . GLY 46 46 6087 1 . VAL 47 47 6087 1 . TRP 48 48 6087 1 . PRO 49 49 6087 1 . LEU 50 50 6087 1 . LEU 51 51 6087 1 . LEU 52 52 6087 1 . LEU 53 53 6087 1 . LEU 54 54 6087 1 . LEU 55 55 6087 1 . ALA 56 56 6087 1 . LEU 57 57 6087 1 . PRO 58 58 6087 1 . PRO 59 59 6087 1 . ARG 60 60 6087 1 . ALA 61 61 6087 1 . TYR 62 62 6087 1 . ALA 63 63 6087 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 6087 _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 $p7 . 11103 . . 'Hepacivirus Hepatitis C virus' HCV . . Viruses . Hepacivirus 'Hepatitis C virus' 'genotype 1b' . . . . . . . . . . . . . . . . . ; sequence reference : swiss-prot : POLG_HCVJA, P26662. Family of Flaviviridae. ; . . 6087 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 6087 _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 $p7 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6087 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6087 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 5.5 mg of purified P7 dissolved in 650 ml of 90% 222-trifluoroethanol-d2/10% H2O (v/v). ; _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 p7 . . . 1 $p7 . . 1.26 . . mM . . . . 6087 1 2 2,2,2-trifluoroethanol-d2 . . . . . . . 90 . . % . . . . 6087 1 3 H2O . . . . . . . 10 . . % . . . . 6087 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 6087 _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 3.0 0.5 n/a 6087 1 temperature 301 1 K 6087 1 stop_ save_ ############################ # Computer software used # ############################ save_vnmr _Software.Sf_category software _Software.Sf_framecode vnmr _Software.Entry_ID 6087 _Software.ID 1 _Software.Name vnmr _Software.Version 6.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID acquisition 6087 1 processing 6087 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6087 _Software.ID 2 _Software.Name Sparky _Software.Version 3.106 _Software.Details ; T.D. Goddard and D.G. Kneller, SPARKY 3, University of California, San Francisco. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Analysis 6087 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6087 _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_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6087 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6087 _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_1 Varian Unity-plus . 500 . . . 6087 1 2 NMR_spectrometer_2 Varian Inova . 800 . . . 6087 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 6087 _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 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6087 1 2 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6087 1 3 1H-13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6087 1 4 'HSQC-TOCSY in 13C natural abondancy.' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6087 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 6087 _NMR_spec_expt.ID 1 _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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6087 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6087 _NMR_spec_expt.ID 3 _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_ 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 6087 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'HSQC-TOCSY in 13C natural abondancy.' _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 6087 _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 . direct 1.0 . . . . . . . . . 6087 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6087 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6087 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _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_1 . 6087 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 THR HA H 1 4.17 0.01 . 1 . . . . . . . . 6087 1 2 . 1 1 1 1 THR HB H 1 4.77 0.01 . 1 . . . . . . . . 6087 1 3 . 1 1 1 1 THR HG21 H 1 1.50 0.01 . 1 . . . . . . . . 6087 1 4 . 1 1 1 1 THR HG22 H 1 1.50 0.01 . 1 . . . . . . . . 6087 1 5 . 1 1 1 1 THR HG23 H 1 1.50 0.01 . 1 . . . . . . . . 6087 1 6 . 1 1 1 1 THR CA C 13 62.3 0.1 . 1 . . . . . . . . 6087 1 7 . 1 1 1 1 THR CB C 13 71.1 0.1 . 1 . . . . . . . . 6087 1 8 . 1 1 1 1 THR CG2 C 13 21.8 0.1 . 1 . . . . . . . . 6087 1 9 . 1 1 2 2 LEU H H 1 8.53 0.01 . 1 . . . . . . . . 6087 1 10 . 1 1 2 2 LEU HA H 1 4.31 0.01 . 1 . . . . . . . . 6087 1 11 . 1 1 2 2 LEU HB2 H 1 1.74 0.01 . 1 . . . . . . . . 6087 1 12 . 1 1 2 2 LEU HB3 H 1 1.74 0.01 . 1 . . . . . . . . 6087 1 13 . 1 1 2 2 LEU HG H 1 1.74 0.01 . 1 . . . . . . . . 6087 1 14 . 1 1 2 2 LEU HD11 H 1 1.03 0.01 . 1 . . . . . . . . 6087 1 15 . 1 1 2 2 LEU HD12 H 1 1.03 0.01 . 1 . . . . . . . . 6087 1 16 . 1 1 2 2 LEU HD13 H 1 1.03 0.01 . 1 . . . . . . . . 6087 1 17 . 1 1 2 2 LEU HD21 H 1 0.97 0.01 . 1 . . . . . . . . 6087 1 18 . 1 1 2 2 LEU HD22 H 1 0.97 0.01 . 1 . . . . . . . . 6087 1 19 . 1 1 2 2 LEU HD23 H 1 0.97 0.01 . 1 . . . . . . . . 6087 1 20 . 1 1 2 2 LEU CA C 13 59.3 0.1 . 1 . . . . . . . . 6087 1 21 . 1 1 3 3 GLU H H 1 7.95 0.01 . 1 . . . . . . . . 6087 1 22 . 1 1 3 3 GLU HA H 1 4.05 0.01 . 1 . . . . . . . . 6087 1 23 . 1 1 3 3 GLU HB2 H 1 2.09 0.01 . 2 . . . . . . . . 6087 1 24 . 1 1 3 3 GLU HB3 H 1 2.01 0.01 . 2 . . . . . . . . 6087 1 25 . 1 1 3 3 GLU HG2 H 1 2.56 0.01 . 2 . . . . . . . . 6087 1 26 . 1 1 3 3 GLU HG3 H 1 2.50 0.01 . 2 . . . . . . . . 6087 1 27 . 1 1 3 3 GLU CA C 13 60.5 0.1 . 1 . . . . . . . . 6087 1 28 . 1 1 3 3 GLU CB C 13 28.8 0.1 . 1 . . . . . . . . 6087 1 29 . 1 1 3 3 GLU CG C 13 33.8 0.1 . 1 . . . . . . . . 6087 1 30 . 1 1 4 4 ASN H H 1 7.53 0.01 . 1 . . . . . . . . 6087 1 31 . 1 1 4 4 ASN HA H 1 4.40 0.01 . 1 . . . . . . . . 6087 1 32 . 1 1 4 4 ASN HB2 H 1 2.90 0.01 . 1 . . . . . . . . 6087 1 33 . 1 1 4 4 ASN HB3 H 1 2.90 0.01 . 1 . . . . . . . . 6087 1 34 . 1 1 4 4 ASN HD21 H 1 7.30 0.01 . 2 . . . . . . . . 6087 1 35 . 1 1 4 4 ASN HD22 H 1 6.53 0.01 . 2 . . . . . . . . 6087 1 36 . 1 1 4 4 ASN CA C 13 58.1 0.1 . 1 . . . . . . . . 6087 1 37 . 1 1 4 4 ASN CB C 13 39.9 0.1 . 1 . . . . . . . . 6087 1 38 . 1 1 5 5 LEU H H 1 7.43 0.01 . 1 . . . . . . . . 6087 1 39 . 1 1 5 5 LEU HA H 1 4.22 0.01 . 1 . . . . . . . . 6087 1 40 . 1 1 5 5 LEU HB2 H 1 1.95 0.01 . 2 . . . . . . . . 6087 1 41 . 1 1 5 5 LEU HB3 H 1 1.80 0.01 . 2 . . . . . . . . 6087 1 42 . 1 1 5 5 LEU HG H 1 1.88 0.01 . 1 . . . . . . . . 6087 1 43 . 1 1 5 5 LEU HD11 H 1 1.02 0.01 . 2 . . . . . . . . 6087 1 44 . 1 1 5 5 LEU HD12 H 1 1.02 0.01 . 2 . . . . . . . . 6087 1 45 . 1 1 5 5 LEU HD13 H 1 1.02 0.01 . 2 . . . . . . . . 6087 1 46 . 1 1 5 5 LEU HD21 H 1 0.96 0.01 . 2 . . . . . . . . 6087 1 47 . 1 1 5 5 LEU HD22 H 1 0.96 0.01 . 2 . . . . . . . . 6087 1 48 . 1 1 5 5 LEU HD23 H 1 0.96 0.01 . 2 . . . . . . . . 6087 1 49 . 1 1 5 5 LEU CA C 13 59.1 0.1 . 1 . . . . . . . . 6087 1 50 . 1 1 6 6 VAL H H 1 8.00 0.01 . 1 . . . . . . . . 6087 1 51 . 1 1 6 6 VAL HA H 1 3.69 0.01 . 1 . . . . . . . . 6087 1 52 . 1 1 6 6 VAL HB H 1 2.29 0.01 . 1 . . . . . . . . 6087 1 53 . 1 1 6 6 VAL HG11 H 1 1.12 0.01 . 2 . . . . . . . . 6087 1 54 . 1 1 6 6 VAL HG12 H 1 1.12 0.01 . 2 . . . . . . . . 6087 1 55 . 1 1 6 6 VAL HG13 H 1 1.12 0.01 . 2 . . . . . . . . 6087 1 56 . 1 1 6 6 VAL HG21 H 1 1.03 0.01 . 2 . . . . . . . . 6087 1 57 . 1 1 6 6 VAL HG22 H 1 1.03 0.01 . 2 . . . . . . . . 6087 1 58 . 1 1 6 6 VAL HG23 H 1 1.03 0.01 . 2 . . . . . . . . 6087 1 59 . 1 1 6 6 VAL CA C 13 68.3 0.1 . 1 . . . . . . . . 6087 1 60 . 1 1 6 6 VAL CB C 13 32.5 0.1 . 1 . . . . . . . . 6087 1 61 . 1 1 6 6 VAL CG1 C 13 22.8 0.1 . 1 . . . . . . . . 6087 1 62 . 1 1 7 7 VAL H H 1 7.82 0.01 . 1 . . . . . . . . 6087 1 63 . 1 1 7 7 VAL HA H 1 3.74 0.01 . 1 . . . . . . . . 6087 1 64 . 1 1 7 7 VAL HB H 1 2.17 0.01 . 1 . . . . . . . . 6087 1 65 . 1 1 7 7 VAL HG11 H 1 1.14 0.01 . 2 . . . . . . . . 6087 1 66 . 1 1 7 7 VAL HG12 H 1 1.14 0.01 . 2 . . . . . . . . 6087 1 67 . 1 1 7 7 VAL HG13 H 1 1.14 0.01 . 2 . . . . . . . . 6087 1 68 . 1 1 7 7 VAL HG21 H 1 1.03 0.01 . 2 . . . . . . . . 6087 1 69 . 1 1 7 7 VAL HG22 H 1 1.03 0.01 . 2 . . . . . . . . 6087 1 70 . 1 1 7 7 VAL HG23 H 1 1.03 0.01 . 2 . . . . . . . . 6087 1 71 . 1 1 7 7 VAL CA C 13 68.1 0.1 . 1 . . . . . . . . 6087 1 72 . 1 1 7 7 VAL CB C 13 33.0 0.1 . 1 . . . . . . . . 6087 1 73 . 1 1 7 7 VAL CG1 C 13 23.2 0.1 . 1 . . . . . . . . 6087 1 74 . 1 1 8 8 LEU H H 1 8.00 0.01 . 1 . . . . . . . . 6087 1 75 . 1 1 8 8 LEU HA H 1 4.19 0.01 . 1 . . . . . . . . 6087 1 76 . 1 1 8 8 LEU HB2 H 1 1.89 0.01 . 2 . . . . . . . . 6087 1 77 . 1 1 8 8 LEU HB3 H 1 1.80 0.01 . 2 . . . . . . . . 6087 1 78 . 1 1 8 8 LEU HG H 1 1.80 0.01 . 1 . . . . . . . . 6087 1 79 . 1 1 8 8 LEU HD11 H 1 1.03 0.01 . 2 . . . . . . . . 6087 1 80 . 1 1 8 8 LEU HD12 H 1 1.03 0.01 . 2 . . . . . . . . 6087 1 81 . 1 1 8 8 LEU HD13 H 1 1.03 0.01 . 2 . . . . . . . . 6087 1 82 . 1 1 8 8 LEU HD21 H 1 0.95 0.01 . 2 . . . . . . . . 6087 1 83 . 1 1 8 8 LEU HD22 H 1 0.95 0.01 . 2 . . . . . . . . 6087 1 84 . 1 1 8 8 LEU HD23 H 1 0.95 0.01 . 2 . . . . . . . . 6087 1 85 . 1 1 8 8 LEU CA C 13 59.5 0.1 . 1 . . . . . . . . 6087 1 86 . 1 1 8 8 LEU CD2 C 13 24.4 0.1 . 1 . . . . . . . . 6087 1 87 . 1 1 9 9 ASN H H 1 8.46 0.01 . 1 . . . . . . . . 6087 1 88 . 1 1 9 9 ASN HA H 1 4.47 0.01 . 1 . . . . . . . . 6087 1 89 . 1 1 9 9 ASN HB2 H 1 3.03 0.01 . 2 . . . . . . . . 6087 1 90 . 1 1 9 9 ASN HB3 H 1 2.82 0.01 . 2 . . . . . . . . 6087 1 91 . 1 1 9 9 ASN HD21 H 1 7.48 0.01 . 1 . . . . . . . . 6087 1 92 . 1 1 9 9 ASN HD22 H 1 6.20 0.01 . 1 . . . . . . . . 6087 1 93 . 1 1 9 9 ASN CA C 13 58.5 0.1 . 1 . . . . . . . . 6087 1 94 . 1 1 9 9 ASN CB C 13 40.4 0.1 . 1 . . . . . . . . 6087 1 95 . 1 1 10 10 ALA H H 1 8.50 0.01 . 1 . . . . . . . . 6087 1 96 . 1 1 10 10 ALA HA H 1 4.12 0.01 . 1 . . . . . . . . 6087 1 97 . 1 1 10 10 ALA HB1 H 1 1.61 0.01 . 1 . . . . . . . . 6087 1 98 . 1 1 10 10 ALA HB2 H 1 1.61 0.01 . 1 . . . . . . . . 6087 1 99 . 1 1 10 10 ALA HB3 H 1 1.61 0.01 . 1 . . . . . . . . 6087 1 100 . 1 1 10 10 ALA CA C 13 57.0 0.1 . 1 . . . . . . . . 6087 1 101 . 1 1 10 10 ALA CB C 13 18.7 0.1 . 1 . . . . . . . . 6087 1 102 . 1 1 11 11 ALA H H 1 8.92 0.01 . 1 . . . . . . . . 6087 1 103 . 1 1 11 11 ALA HA H 1 4.17 0.01 . 1 . . . . . . . . 6087 1 104 . 1 1 11 11 ALA HB1 H 1 1.59 0.01 . 1 . . . . . . . . 6087 1 105 . 1 1 11 11 ALA HB2 H 1 1.59 0.01 . 1 . . . . . . . . 6087 1 106 . 1 1 11 11 ALA HB3 H 1 1.59 0.01 . 1 . . . . . . . . 6087 1 107 . 1 1 11 11 ALA CA C 13 56.4 0.1 . 1 . . . . . . . . 6087 1 108 . 1 1 11 11 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 6087 1 109 . 1 1 12 12 SER H H 1 8.22 0.01 . 1 . . . . . . . . 6087 1 110 . 1 1 12 12 SER HA H 1 4.36 0.01 . 1 . . . . . . . . 6087 1 111 . 1 1 12 12 SER HB2 H 1 4.13 0.01 . 2 . . . . . . . . 6087 1 112 . 1 1 12 12 SER HB3 H 1 4.06 0.01 . 2 . . . . . . . . 6087 1 113 . 1 1 12 12 SER CA C 13 63.3 0.1 . 1 . . . . . . . . 6087 1 114 . 1 1 12 12 SER CB C 13 64.1 0.1 . 1 . . . . . . . . 6087 1 115 . 1 1 13 13 VAL H H 1 8.14 0.01 . 1 . . . . . . . . 6087 1 116 . 1 1 13 13 VAL HA H 1 3.85 0.01 . 1 . . . . . . . . 6087 1 117 . 1 1 13 13 VAL HB H 1 2.29 0.01 . 1 . . . . . . . . 6087 1 118 . 1 1 13 13 VAL HG11 H 1 1.16 0.01 . 2 . . . . . . . . 6087 1 119 . 1 1 13 13 VAL HG12 H 1 1.16 0.01 . 2 . . . . . . . . 6087 1 120 . 1 1 13 13 VAL HG13 H 1 1.16 0.01 . 2 . . . . . . . . 6087 1 121 . 1 1 13 13 VAL HG21 H 1 1.03 0.01 . 2 . . . . . . . . 6087 1 122 . 1 1 13 13 VAL HG22 H 1 1.03 0.01 . 2 . . . . . . . . 6087 1 123 . 1 1 13 13 VAL HG23 H 1 1.03 0.01 . 2 . . . . . . . . 6087 1 124 . 1 1 13 13 VAL CA C 13 67.8 0.1 . 1 . . . . . . . . 6087 1 125 . 1 1 13 13 VAL CB C 13 33.8 0.1 . 1 . . . . . . . . 6087 1 126 . 1 1 13 13 VAL CG1 C 13 23.2 0.1 . 1 . . . . . . . . 6087 1 127 . 1 1 14 14 ALA H H 1 8.42 0.01 . 1 . . . . . . . . 6087 1 128 . 1 1 14 14 ALA HA H 1 4.20 0.01 . 1 . . . . . . . . 6087 1 129 . 1 1 14 14 ALA HB1 H 1 1.60 0.01 . 1 . . . . . . . . 6087 1 130 . 1 1 14 14 ALA HB2 H 1 1.60 0.01 . 1 . . . . . . . . 6087 1 131 . 1 1 14 14 ALA HB3 H 1 1.60 0.01 . 1 . . . . . . . . 6087 1 132 . 1 1 14 14 ALA CA C 13 56.5 0.1 . 1 . . . . . . . . 6087 1 133 . 1 1 14 14 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 6087 1 134 . 1 1 15 15 GLY H H 1 8.65 0.01 . 1 . . . . . . . . 6087 1 135 . 1 1 15 15 GLY HA2 H 1 3.96 0.01 . 1 . . . . . . . . 6087 1 136 . 1 1 15 15 GLY HA3 H 1 3.96 0.01 . 1 . . . . . . . . 6087 1 137 . 1 1 15 15 GLY CA C 13 48.1 0.1 . 1 . . . . . . . . 6087 1 138 . 1 1 16 16 ALA H H 1 8.33 0.01 . 1 . . . . . . . . 6087 1 139 . 1 1 16 16 ALA HA H 1 4.25 0.01 . 1 . . . . . . . . 6087 1 140 . 1 1 16 16 ALA HB1 H 1 1.61 0.01 . 1 . . . . . . . . 6087 1 141 . 1 1 16 16 ALA HB2 H 1 1.61 0.01 . 1 . . . . . . . . 6087 1 142 . 1 1 16 16 ALA HB3 H 1 1.61 0.01 . 1 . . . . . . . . 6087 1 143 . 1 1 16 16 ALA CA C 13 56.4 0.1 . 1 . . . . . . . . 6087 1 144 . 1 1 16 16 ALA CB C 13 18.7 0.1 . 1 . . . . . . . . 6087 1 145 . 1 1 17 17 HIS H H 1 8.32 0.01 . 1 . . . . . . . . 6087 1 146 . 1 1 17 17 HIS HA H 1 4.37 0.01 . 1 . . . . . . . . 6087 1 147 . 1 1 17 17 HIS HB2 H 1 3.45 0.01 . 1 . . . . . . . . 6087 1 148 . 1 1 17 17 HIS HB3 H 1 3.45 0.01 . 1 . . . . . . . . 6087 1 149 . 1 1 17 17 HIS HD2 H 1 7.33 0.01 . 1 . . . . . . . . 6087 1 150 . 1 1 17 17 HIS HE1 H 1 8.34 0.01 . 1 . . . . . . . . 6087 1 151 . 1 1 17 17 HIS CA C 13 60.5 0.1 . 1 . . . . . . . . 6087 1 152 . 1 1 17 17 HIS CB C 13 29.0 0.1 . 1 . . . . . . . . 6087 1 153 . 1 1 17 17 HIS CD2 C 13 121.0 0.1 . 1 . . . . . . . . 6087 1 154 . 1 1 17 17 HIS CE1 C 13 136.6 0.1 . 1 . . . . . . . . 6087 1 155 . 1 1 18 18 GLY H H 1 8.44 0.01 . 1 . . . . . . . . 6087 1 156 . 1 1 18 18 GLY HA2 H 1 4.02 0.01 . 2 . . . . . . . . 6087 1 157 . 1 1 18 18 GLY HA3 H 1 3.94 0.01 . 2 . . . . . . . . 6087 1 158 . 1 1 18 18 GLY CA C 13 48.2 0.1 . 1 . . . . . . . . 6087 1 159 . 1 1 19 19 LEU H H 1 8.15 0.01 . 1 . . . . . . . . 6087 1 160 . 1 1 19 19 LEU HA H 1 4.36 0.01 . 1 . . . . . . . . 6087 1 161 . 1 1 19 19 LEU HB2 H 1 1.90 0.01 . 2 . . . . . . . . 6087 1 162 . 1 1 19 19 LEU HB3 H 1 1.80 0.01 . 2 . . . . . . . . 6087 1 163 . 1 1 19 19 LEU HG H 1 1.60 0.01 . 1 . . . . . . . . 6087 1 164 . 1 1 19 19 LEU HD11 H 1 1.03 0.01 . 2 . . . . . . . . 6087 1 165 . 1 1 19 19 LEU HD12 H 1 1.03 0.01 . 2 . . . . . . . . 6087 1 166 . 1 1 19 19 LEU HD13 H 1 1.03 0.01 . 2 . . . . . . . . 6087 1 167 . 1 1 19 19 LEU HD21 H 1 0.96 0.01 . 2 . . . . . . . . 6087 1 168 . 1 1 19 19 LEU HD22 H 1 0.96 0.01 . 2 . . . . . . . . 6087 1 169 . 1 1 19 19 LEU HD23 H 1 0.96 0.01 . 2 . . . . . . . . 6087 1 170 . 1 1 19 19 LEU CA C 13 59.5 0.1 . 1 . . . . . . . . 6087 1 171 . 1 1 20 20 LEU H H 1 8.23 0.01 . 1 . . . . . . . . 6087 1 172 . 1 1 20 20 LEU HA H 1 4.22 0.01 . 1 . . . . . . . . 6087 1 173 . 1 1 20 20 LEU HB2 H 1 1.83 0.01 . 2 . . . . . . . . 6087 1 174 . 1 1 20 20 LEU HB3 H 1 1.81 0.01 . 2 . . . . . . . . 6087 1 175 . 1 1 20 20 LEU HG H 1 1.72 0.01 . 1 . . . . . . . . 6087 1 176 . 1 1 20 20 LEU HD11 H 1 1.10 0.01 . 2 . . . . . . . . 6087 1 177 . 1 1 20 20 LEU HD12 H 1 1.10 0.01 . 2 . . . . . . . . 6087 1 178 . 1 1 20 20 LEU HD13 H 1 1.10 0.01 . 2 . . . . . . . . 6087 1 179 . 1 1 20 20 LEU HD21 H 1 0.96 0.01 . 2 . . . . . . . . 6087 1 180 . 1 1 20 20 LEU HD22 H 1 0.96 0.01 . 2 . . . . . . . . 6087 1 181 . 1 1 20 20 LEU HD23 H 1 0.96 0.01 . 2 . . . . . . . . 6087 1 182 . 1 1 20 20 LEU CA C 13 58.7 0.1 . 1 . . . . . . . . 6087 1 183 . 1 1 21 21 SER H H 1 7.88 0.01 . 1 . . . . . . . . 6087 1 184 . 1 1 21 21 SER HA H 1 4.18 0.01 . 1 . . . . . . . . 6087 1 185 . 1 1 21 21 SER HB2 H 1 4.08 0.01 . 2 . . . . . . . . 6087 1 186 . 1 1 21 21 SER HB3 H 1 3.95 0.01 . 1 . . . . . . . . 6087 1 187 . 1 1 21 21 SER CA C 13 63.5 0.1 . 1 . . . . . . . . 6087 1 188 . 1 1 21 21 SER CB C 13 64.2 0.1 . 1 . . . . . . . . 6087 1 189 . 1 1 22 22 PHE H H 1 7.85 0.01 . 1 . . . . . . . . 6087 1 190 . 1 1 22 22 PHE HA H 1 4.49 0.01 . 1 . . . . . . . . 6087 1 191 . 1 1 22 22 PHE HB2 H 1 3.42 0.01 . 2 . . . . . . . . 6087 1 192 . 1 1 22 22 PHE HB3 H 1 3.34 0.01 . 2 . . . . . . . . 6087 1 193 . 1 1 22 22 PHE HD1 H 1 7.29 0.01 . 1 . . . . . . . . 6087 1 194 . 1 1 22 22 PHE HD2 H 1 7.29 0.01 . 1 . . . . . . . . 6087 1 195 . 1 1 22 22 PHE CA C 13 62.7 0.1 . 1 . . . . . . . . 6087 1 196 . 1 1 22 22 PHE CB C 13 40.3 0.1 . 1 . . . . . . . . 6087 1 197 . 1 1 23 23 LEU H H 1 8.36 0.01 . 1 . . . . . . . . 6087 1 198 . 1 1 23 23 LEU HA H 1 4.16 0.01 . 1 . . . . . . . . 6087 1 199 . 1 1 23 23 LEU HB2 H 1 2.10 0.01 . 2 . . . . . . . . 6087 1 200 . 1 1 23 23 LEU HB3 H 1 1.70 0.01 . 2 . . . . . . . . 6087 1 201 . 1 1 23 23 LEU HG H 1 2.06 0.01 . 1 . . . . . . . . 6087 1 202 . 1 1 23 23 LEU HD11 H 1 1.01 0.01 . 2 . . . . . . . . 6087 1 203 . 1 1 23 23 LEU HD12 H 1 1.01 0.01 . 2 . . . . . . . . 6087 1 204 . 1 1 23 23 LEU HD13 H 1 1.01 0.01 . 2 . . . . . . . . 6087 1 205 . 1 1 23 23 LEU HD21 H 1 0.97 0.01 . 2 . . . . . . . . 6087 1 206 . 1 1 23 23 LEU HD22 H 1 0.97 0.01 . 2 . . . . . . . . 6087 1 207 . 1 1 23 23 LEU HD23 H 1 0.97 0.01 . 2 . . . . . . . . 6087 1 208 . 1 1 23 23 LEU CA C 13 59.7 0.1 . 1 . . . . . . . . 6087 1 209 . 1 1 23 23 LEU CB C 13 43.0 0.1 . 1 . . . . . . . . 6087 1 210 . 1 1 23 23 LEU CG C 13 28.1 0.1 . 1 . . . . . . . . 6087 1 211 . 1 1 24 24 VAL H H 1 8.27 0.01 . 1 . . . . . . . . 6087 1 212 . 1 1 24 24 VAL HA H 1 3.76 0.01 . 1 . . . . . . . . 6087 1 213 . 1 1 24 24 VAL HB H 1 2.14 0.01 . 1 . . . . . . . . 6087 1 214 . 1 1 24 24 VAL HG11 H 1 1.10 0.01 . 2 . . . . . . . . 6087 1 215 . 1 1 24 24 VAL HG12 H 1 1.10 0.01 . 2 . . . . . . . . 6087 1 216 . 1 1 24 24 VAL HG13 H 1 1.10 0.01 . 2 . . . . . . . . 6087 1 217 . 1 1 24 24 VAL HG21 H 1 0.91 0.01 . 2 . . . . . . . . 6087 1 218 . 1 1 24 24 VAL HG22 H 1 0.91 0.01 . 2 . . . . . . . . 6087 1 219 . 1 1 24 24 VAL HG23 H 1 0.91 0.01 . 2 . . . . . . . . 6087 1 220 . 1 1 24 24 VAL CA C 13 67.8 0.1 . 1 . . . . . . . . 6087 1 221 . 1 1 24 24 VAL CB C 13 33.0 0.1 . 1 . . . . . . . . 6087 1 222 . 1 1 24 24 VAL CG1 C 13 22.9 0.1 . 1 . . . . . . . . 6087 1 223 . 1 1 24 24 VAL CG2 C 13 21.6 0.1 . 1 . . . . . . . . 6087 1 224 . 1 1 25 25 PHE H H 1 7.87 0.01 . 1 . . . . . . . . 6087 1 225 . 1 1 25 25 PHE HA H 1 4.33 0.01 . 1 . . . . . . . . 6087 1 226 . 1 1 25 25 PHE HB2 H 1 3.21 0.01 . 1 . . . . . . . . 6087 1 227 . 1 1 25 25 PHE HB3 H 1 3.21 0.01 . 1 . . . . . . . . 6087 1 228 . 1 1 25 25 PHE HD1 H 1 7.25 0.01 . 1 . . . . . . . . 6087 1 229 . 1 1 25 25 PHE HD2 H 1 7.25 0.01 . 1 . . . . . . . . 6087 1 230 . 1 1 25 25 PHE HE1 H 1 7.11 0.01 . 1 . . . . . . . . 6087 1 231 . 1 1 25 25 PHE HE2 H 1 7.11 0.01 . 1 . . . . . . . . 6087 1 232 . 1 1 25 25 PHE CA C 13 63.4 0.1 . 1 . . . . . . . . 6087 1 233 . 1 1 25 25 PHE CB C 13 40.2 0.1 . 1 . . . . . . . . 6087 1 234 . 1 1 26 26 PHE H H 1 8.61 0.01 . 1 . . . . . . . . 6087 1 235 . 1 1 26 26 PHE HA H 1 4.19 0.01 . 1 . . . . . . . . 6087 1 236 . 1 1 26 26 PHE HB2 H 1 3.11 0.01 . 2 . . . . . . . . 6087 1 237 . 1 1 26 26 PHE HB3 H 1 2.92 0.01 . 2 . . . . . . . . 6087 1 238 . 1 1 26 26 PHE HD1 H 1 7.25 0.01 . 1 . . . . . . . . 6087 1 239 . 1 1 26 26 PHE HD2 H 1 7.25 0.01 . 1 . . . . . . . . 6087 1 240 . 1 1 26 26 PHE HE1 H 1 7.12 0.01 . 1 . . . . . . . . 6087 1 241 . 1 1 26 26 PHE HE2 H 1 7.12 0.01 . 1 . . . . . . . . 6087 1 242 . 1 1 26 26 PHE CA C 13 62.5 0.1 . 1 . . . . . . . . 6087 1 243 . 1 1 26 26 PHE CB C 13 40.5 0.1 . 1 . . . . . . . . 6087 1 244 . 1 1 27 27 ALA H H 1 8.43 0.01 . 1 . . . . . . . . 6087 1 245 . 1 1 27 27 ALA HA H 1 4.20 0.01 . 1 . . . . . . . . 6087 1 246 . 1 1 27 27 ALA HB1 H 1 1.62 0.01 . 1 . . . . . . . . 6087 1 247 . 1 1 27 27 ALA HB2 H 1 1.62 0.01 . 1 . . . . . . . . 6087 1 248 . 1 1 27 27 ALA HB3 H 1 1.62 0.01 . 1 . . . . . . . . 6087 1 249 . 1 1 27 27 ALA CA C 13 55.6 0.1 . 1 . . . . . . . . 6087 1 250 . 1 1 27 27 ALA CB C 13 19.0 0.1 . 1 . . . . . . . . 6087 1 251 . 1 1 28 28 ALA H H 1 8.25 0.01 . 1 . . . . . . . . 6087 1 252 . 1 1 28 28 ALA HA H 1 4.22 0.01 . 1 . . . . . . . . 6087 1 253 . 1 1 28 28 ALA HB1 H 1 1.53 0.01 . 1 . . . . . . . . 6087 1 254 . 1 1 28 28 ALA HB2 H 1 1.53 0.01 . 1 . . . . . . . . 6087 1 255 . 1 1 28 28 ALA HB3 H 1 1.53 0.01 . 1 . . . . . . . . 6087 1 256 . 1 1 28 28 ALA CA C 13 56.3 0.1 . 1 . . . . . . . . 6087 1 257 . 1 1 28 28 ALA CB C 13 18.8 0.1 . 1 . . . . . . . . 6087 1 258 . 1 1 29 29 ALA H H 1 7.97 0.01 . 1 . . . . . . . . 6087 1 259 . 1 1 29 29 ALA HA H 1 3.98 0.01 . 1 . . . . . . . . 6087 1 260 . 1 1 29 29 ALA HB1 H 1 1.31 0.01 . 1 . . . . . . . . 6087 1 261 . 1 1 29 29 ALA HB2 H 1 1.31 0.01 . 1 . . . . . . . . 6087 1 262 . 1 1 29 29 ALA HB3 H 1 1.31 0.01 . 1 . . . . . . . . 6087 1 263 . 1 1 29 29 ALA CA C 13 56.3 0.1 . 1 . . . . . . . . 6087 1 264 . 1 1 29 29 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 6087 1 265 . 1 1 30 30 TRP H H 1 8.08 0.01 . 1 . . . . . . . . 6087 1 266 . 1 1 30 30 TRP HA H 1 4.19 0.01 . 1 . . . . . . . . 6087 1 267 . 1 1 30 30 TRP HB2 H 1 3.34 0.01 . 2 . . . . . . . . 6087 1 268 . 1 1 30 30 TRP HB3 H 1 3.21 0.01 . 2 . . . . . . . . 6087 1 269 . 1 1 30 30 TRP HD1 H 1 6.94 0.01 . 1 . . . . . . . . 6087 1 270 . 1 1 30 30 TRP HE1 H 1 9.07 0.01 . 1 . . . . . . . . 6087 1 271 . 1 1 30 30 TRP HE3 H 1 7.50 0.01 . 1 . . . . . . . . 6087 1 272 . 1 1 30 30 TRP HZ2 H 1 7.42 0.01 . 1 . . . . . . . . 6087 1 273 . 1 1 30 30 TRP HZ3 H 1 7.10 0.01 . 1 . . . . . . . . 6087 1 274 . 1 1 30 30 TRP HH2 H 1 7.19 0.01 . 1 . . . . . . . . 6087 1 275 . 1 1 30 30 TRP CA C 13 61.6 0.1 . 1 . . . . . . . . 6087 1 276 . 1 1 30 30 TRP CB C 13 30.0 0.1 . 1 . . . . . . . . 6087 1 277 . 1 1 30 30 TRP CD1 C 13 127.9 0.1 . 1 . . . . . . . . 6087 1 278 . 1 1 30 30 TRP CE3 C 13 121.8 0.1 . 1 . . . . . . . . 6087 1 279 . 1 1 30 30 TRP CZ2 C 13 115.4 0.1 . 1 . . . . . . . . 6087 1 280 . 1 1 30 30 TRP CZ3 C 13 123.0 0.1 . 1 . . . . . . . . 6087 1 281 . 1 1 30 30 TRP CH2 C 13 125.6 0.1 . 1 . . . . . . . . 6087 1 282 . 1 1 31 31 TYR H H 1 8.10 0.01 . 1 . . . . . . . . 6087 1 283 . 1 1 31 31 TYR HA H 1 4.09 0.01 . 1 . . . . . . . . 6087 1 284 . 1 1 31 31 TYR HB2 H 1 3.17 0.01 . 1 . . . . . . . . 6087 1 285 . 1 1 31 31 TYR HB3 H 1 3.17 0.01 . 1 . . . . . . . . 6087 1 286 . 1 1 31 31 TYR HD1 H 1 7.12 0.01 . 1 . . . . . . . . 6087 1 287 . 1 1 31 31 TYR HD2 H 1 7.12 0.01 . 1 . . . . . . . . 6087 1 288 . 1 1 31 31 TYR HE1 H 1 6.83 0.01 . 1 . . . . . . . . 6087 1 289 . 1 1 31 31 TYR HE2 H 1 6.83 0.01 . 1 . . . . . . . . 6087 1 290 . 1 1 31 31 TYR CA C 13 62.6 0.1 . 1 . . . . . . . . 6087 1 291 . 1 1 31 31 TYR CB C 13 39.6 0.1 . 1 . . . . . . . . 6087 1 292 . 1 1 31 31 TYR CD1 C 13 134.0 0.1 . 1 . . . . . . . . 6087 1 293 . 1 1 31 31 TYR CD2 C 13 134.0 0.1 . 1 . . . . . . . . 6087 1 294 . 1 1 31 31 TYR CE1 C 13 119.2 0.1 . 1 . . . . . . . . 6087 1 295 . 1 1 31 31 TYR CE2 C 13 119.2 0.1 . 1 . . . . . . . . 6087 1 296 . 1 1 32 32 ILE H H 1 8.36 0.01 . 1 . . . . . . . . 6087 1 297 . 1 1 32 32 ILE HA H 1 3.74 0.01 . 1 . . . . . . . . 6087 1 298 . 1 1 32 32 ILE HB H 1 1.96 0.01 . 1 . . . . . . . . 6087 1 299 . 1 1 32 32 ILE HG12 H 1 1.83 0.01 . 2 . . . . . . . . 6087 1 300 . 1 1 32 32 ILE HG13 H 1 1.28 0.01 . 2 . . . . . . . . 6087 1 301 . 1 1 32 32 ILE HG21 H 1 0.96 0.01 . 1 . . . . . . . . 6087 1 302 . 1 1 32 32 ILE HG22 H 1 0.96 0.01 . 1 . . . . . . . . 6087 1 303 . 1 1 32 32 ILE HG23 H 1 0.96 0.01 . 1 . . . . . . . . 6087 1 304 . 1 1 32 32 ILE HD11 H 1 0.93 0.01 . 1 . . . . . . . . 6087 1 305 . 1 1 32 32 ILE HD12 H 1 0.93 0.01 . 1 . . . . . . . . 6087 1 306 . 1 1 32 32 ILE HD13 H 1 0.93 0.01 . 1 . . . . . . . . 6087 1 307 . 1 1 32 32 ILE CA C 13 65.7 0.1 . 1 . . . . . . . . 6087 1 308 . 1 1 32 32 ILE CB C 13 39.6 0.1 . 1 . . . . . . . . 6087 1 309 . 1 1 32 32 ILE CG1 C 13 29.9 0.1 . 1 . . . . . . . . 6087 1 310 . 1 1 32 32 ILE CG2 C 13 18.0 0.1 . 1 . . . . . . . . 6087 1 311 . 1 1 32 32 ILE CD1 C 13 13.2 0.1 . 1 . . . . . . . . 6087 1 312 . 1 1 33 33 LYS H H 1 8.05 0.01 . 1 . . . . . . . . 6087 1 313 . 1 1 33 33 LYS HA H 1 4.02 0.01 . 1 . . . . . . . . 6087 1 314 . 1 1 33 33 LYS HB2 H 1 1.84 0.01 . 2 . . . . . . . . 6087 1 315 . 1 1 33 33 LYS HB3 H 1 1.81 0.01 . 2 . . . . . . . . 6087 1 316 . 1 1 33 33 LYS HG2 H 1 1.52 0.01 . 2 . . . . . . . . 6087 1 317 . 1 1 33 33 LYS HG3 H 1 1.38 0.01 . 2 . . . . . . . . 6087 1 318 . 1 1 33 33 LYS HD2 H 1 1.56 0.01 . 1 . . . . . . . . 6087 1 319 . 1 1 33 33 LYS HD3 H 1 1.56 0.01 . 1 . . . . . . . . 6087 1 320 . 1 1 33 33 LYS HE2 H 1 2.81 0.01 . 1 . . . . . . . . 6087 1 321 . 1 1 33 33 LYS HE3 H 1 2.81 0.01 . 1 . . . . . . . . 6087 1 322 . 1 1 33 33 LYS CA C 13 60.4 0.1 . 1 . . . . . . . . 6087 1 323 . 1 1 33 33 LYS CB C 13 33.5 0.1 . 1 . . . . . . . . 6087 1 324 . 1 1 33 33 LYS CG C 13 26.2 0.1 . 1 . . . . . . . . 6087 1 325 . 1 1 33 33 LYS CD C 13 30.3 0.1 . 1 . . . . . . . . 6087 1 326 . 1 1 33 33 LYS CE C 13 43.6 0.1 . 1 . . . . . . . . 6087 1 327 . 1 1 34 34 GLY H H 1 7.87 0.01 . 1 . . . . . . . . 6087 1 328 . 1 1 34 34 GLY HA2 H 1 3.84 0.01 . 2 . . . . . . . . 6087 1 329 . 1 1 34 34 GLY HA3 H 1 3.66 0.01 . 2 . . . . . . . . 6087 1 330 . 1 1 34 34 GLY CA C 13 47.3 0.1 . 1 . . . . . . . . 6087 1 331 . 1 1 35 35 ARG H H 1 7.59 0.01 . 1 . . . . . . . . 6087 1 332 . 1 1 35 35 ARG HA H 1 4.23 0.01 . 1 . . . . . . . . 6087 1 333 . 1 1 35 35 ARG HB2 H 1 1.82 0.01 . 2 . . . . . . . . 6087 1 334 . 1 1 35 35 ARG HB3 H 1 1.76 0.01 . 2 . . . . . . . . 6087 1 335 . 1 1 35 35 ARG HG2 H 1 1.55 0.01 . 1 . . . . . . . . 6087 1 336 . 1 1 35 35 ARG HG3 H 1 1.55 0.01 . 1 . . . . . . . . 6087 1 337 . 1 1 35 35 ARG HD2 H 1 3.05 0.01 . 1 . . . . . . . . 6087 1 338 . 1 1 35 35 ARG HD3 H 1 3.05 0.01 . 1 . . . . . . . . 6087 1 339 . 1 1 35 35 ARG HE H 1 6.87 0.01 . 1 . . . . . . . . 6087 1 340 . 1 1 35 35 ARG CA C 13 57.8 0.1 . 1 . . . . . . . . 6087 1 341 . 1 1 35 35 ARG CB C 13 31.3 0.1 . 1 . . . . . . . . 6087 1 342 . 1 1 35 35 ARG CG C 13 27.9 0.1 . 1 . . . . . . . . 6087 1 343 . 1 1 35 35 ARG CD C 13 44.2 0.1 . 1 . . . . . . . . 6087 1 344 . 1 1 36 36 LEU H H 1 7.67 0.01 . 1 . . . . . . . . 6087 1 345 . 1 1 36 36 LEU HA H 1 4.39 0.01 . 1 . . . . . . . . 6087 1 346 . 1 1 36 36 LEU HB2 H 1 1.82 0.01 . 1 . . . . . . . . 6087 1 347 . 1 1 36 36 LEU HB3 H 1 1.82 0.01 . 1 . . . . . . . . 6087 1 348 . 1 1 36 36 LEU HG H 1 1.63 0.01 . 1 . . . . . . . . 6087 1 349 . 1 1 36 36 LEU HD11 H 1 0.92 0.01 . 2 . . . . . . . . 6087 1 350 . 1 1 36 36 LEU HD12 H 1 0.92 0.01 . 2 . . . . . . . . 6087 1 351 . 1 1 36 36 LEU HD13 H 1 0.92 0.01 . 2 . . . . . . . . 6087 1 352 . 1 1 36 36 LEU HD21 H 1 0.87 0.01 . 2 . . . . . . . . 6087 1 353 . 1 1 36 36 LEU HD22 H 1 0.87 0.01 . 2 . . . . . . . . 6087 1 354 . 1 1 36 36 LEU HD23 H 1 0.87 0.01 . 2 . . . . . . . . 6087 1 355 . 1 1 36 36 LEU CA C 13 56.9 0.1 . 1 . . . . . . . . 6087 1 356 . 1 1 37 37 VAL H H 1 7.57 0.01 . 1 . . . . . . . . 6087 1 357 . 1 1 37 37 VAL HA H 1 4.30 0.01 . 1 . . . . . . . . 6087 1 358 . 1 1 37 37 VAL HB H 1 2.22 0.01 . 1 . . . . . . . . 6087 1 359 . 1 1 37 37 VAL HG11 H 1 1.02 0.01 . 2 . . . . . . . . 6087 1 360 . 1 1 37 37 VAL HG12 H 1 1.02 0.01 . 2 . . . . . . . . 6087 1 361 . 1 1 37 37 VAL HG13 H 1 1.02 0.01 . 2 . . . . . . . . 6087 1 362 . 1 1 37 37 VAL HG21 H 1 0.98 0.01 . 2 . . . . . . . . 6087 1 363 . 1 1 37 37 VAL HG22 H 1 0.98 0.01 . 2 . . . . . . . . 6087 1 364 . 1 1 37 37 VAL HG23 H 1 0.98 0.01 . 2 . . . . . . . . 6087 1 365 . 1 1 37 37 VAL CA C 13 63.1 0.1 . 1 . . . . . . . . 6087 1 366 . 1 1 37 37 VAL CB C 13 33.3 0.1 . 1 . . . . . . . . 6087 1 367 . 1 1 37 37 VAL CG2 C 13 21.7 0.1 . 1 . . . . . . . . 6087 1 368 . 1 1 38 38 PRO HA H 1 4.35 0.01 . 1 . . . . . . . . 6087 1 369 . 1 1 38 38 PRO HB2 H 1 2.31 0.01 . 2 . . . . . . . . 6087 1 370 . 1 1 38 38 PRO HB3 H 1 1.85 0.01 . 2 . . . . . . . . 6087 1 371 . 1 1 38 38 PRO HG2 H 1 2.13 0.01 . 2 . . . . . . . . 6087 1 372 . 1 1 38 38 PRO HG3 H 1 1.99 0.01 . 2 . . . . . . . . 6087 1 373 . 1 1 38 38 PRO HD2 H 1 3.90 0.01 . 2 . . . . . . . . 6087 1 374 . 1 1 38 38 PRO HD3 H 1 3.63 0.01 . 2 . . . . . . . . 6087 1 375 . 1 1 38 38 PRO CA C 13 65.2 0.1 . 1 . . . . . . . . 6087 1 376 . 1 1 38 38 PRO CB C 13 31.6 0.1 . 1 . . . . . . . . 6087 1 377 . 1 1 38 38 PRO CG C 13 28.6 0.1 . 1 . . . . . . . . 6087 1 378 . 1 1 38 38 PRO CD C 13 51.7 0.1 . 1 . . . . . . . . 6087 1 379 . 1 1 39 39 GLY H H 1 7.85 0.01 . 1 . . . . . . . . 6087 1 380 . 1 1 39 39 GLY HA2 H 1 4.01 0.01 . 2 . . . . . . . . 6087 1 381 . 1 1 39 39 GLY HA3 H 1 3.86 0.01 . 2 . . . . . . . . 6087 1 382 . 1 1 39 39 GLY CA C 13 47.3 0.1 . 1 . . . . . . . . 6087 1 383 . 1 1 40 40 ALA H H 1 7.77 0.01 . 1 . . . . . . . . 6087 1 384 . 1 1 40 40 ALA HA H 1 4.21 0.01 . 1 . . . . . . . . 6087 1 385 . 1 1 40 40 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 6087 1 386 . 1 1 40 40 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 6087 1 387 . 1 1 40 40 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 6087 1 388 . 1 1 40 40 ALA CA C 13 56.9 0.1 . 1 . . . . . . . . 6087 1 389 . 1 1 40 40 ALA CB C 13 19.2 0.1 . 1 . . . . . . . . 6087 1 390 . 1 1 41 41 ALA H H 1 7.90 0.01 . 1 . . . . . . . . 6087 1 391 . 1 1 41 41 ALA HA H 1 4.12 0.01 . 1 . . . . . . . . 6087 1 392 . 1 1 41 41 ALA HB1 H 1 1.42 0.01 . 1 . . . . . . . . 6087 1 393 . 1 1 41 41 ALA HB2 H 1 1.42 0.01 . 1 . . . . . . . . 6087 1 394 . 1 1 41 41 ALA HB3 H 1 1.42 0.01 . 1 . . . . . . . . 6087 1 395 . 1 1 41 41 ALA CA C 13 55.8 0.1 . 1 . . . . . . . . 6087 1 396 . 1 1 41 41 ALA CB C 13 18.9 0.1 . 1 . . . . . . . . 6087 1 397 . 1 1 42 42 TYR H H 1 7.55 0.01 . 1 . . . . . . . . 6087 1 398 . 1 1 42 42 TYR HA H 1 4.35 0.01 . 1 . . . . . . . . 6087 1 399 . 1 1 42 42 TYR HB2 H 1 3.12 0.01 . 1 . . . . . . . . 6087 1 400 . 1 1 42 42 TYR HB3 H 1 3.12 0.01 . 1 . . . . . . . . 6087 1 401 . 1 1 42 42 TYR HD1 H 1 7.11 0.01 . 1 . . . . . . . . 6087 1 402 . 1 1 42 42 TYR HD2 H 1 7.11 0.01 . 1 . . . . . . . . 6087 1 403 . 1 1 42 42 TYR HE1 H 1 6.81 0.01 . 1 . . . . . . . . 6087 1 404 . 1 1 42 42 TYR HE2 H 1 6.81 0.01 . 1 . . . . . . . . 6087 1 405 . 1 1 42 42 TYR CA C 13 61.1 0.1 . 1 . . . . . . . . 6087 1 406 . 1 1 42 42 TYR CB C 13 39.1 0.1 . 1 . . . . . . . . 6087 1 407 . 1 1 42 42 TYR CD1 C 13 134.0 0.1 . 1 . . . . . . . . 6087 1 408 . 1 1 42 42 TYR CD2 C 13 134.0 0.1 . 1 . . . . . . . . 6087 1 409 . 1 1 42 42 TYR CE1 C 13 119.2 0.1 . 1 . . . . . . . . 6087 1 410 . 1 1 42 42 TYR CE2 C 13 119.2 0.1 . 1 . . . . . . . . 6087 1 411 . 1 1 43 43 ALA H H 1 7.69 0.01 . 1 . . . . . . . . 6087 1 412 . 1 1 43 43 ALA HA H 1 4.19 0.01 . 1 . . . . . . . . 6087 1 413 . 1 1 43 43 ALA HB1 H 1 1.49 0.01 . 1 . . . . . . . . 6087 1 414 . 1 1 43 43 ALA HB2 H 1 1.49 0.01 . 1 . . . . . . . . 6087 1 415 . 1 1 43 43 ALA HB3 H 1 1.49 0.01 . 1 . . . . . . . . 6087 1 416 . 1 1 43 43 ALA CA C 13 55.7 0.1 . 1 . . . . . . . . 6087 1 417 . 1 1 43 43 ALA CB C 13 19.2 0.1 . 1 . . . . . . . . 6087 1 418 . 1 1 44 44 LEU H H 1 7.11 0.01 . 1 . . . . . . . . 6087 1 419 . 1 1 44 44 LEU HA H 1 4.22 0.01 . 1 . . . . . . . . 6087 1 420 . 1 1 44 44 LEU HB2 H 1 1.69 0.01 . 1 . . . . . . . . 6087 1 421 . 1 1 44 44 LEU HB3 H 1 1.69 0.01 . 1 . . . . . . . . 6087 1 422 . 1 1 44 44 LEU HD11 H 1 0.99 0.01 . 2 . . . . . . . . 6087 1 423 . 1 1 44 44 LEU HD12 H 1 0.99 0.01 . 2 . . . . . . . . 6087 1 424 . 1 1 44 44 LEU HD13 H 1 0.99 0.01 . 2 . . . . . . . . 6087 1 425 . 1 1 44 44 LEU HD21 H 1 0.91 0.01 . 2 . . . . . . . . 6087 1 426 . 1 1 44 44 LEU HD22 H 1 0.91 0.01 . 2 . . . . . . . . 6087 1 427 . 1 1 44 44 LEU HD23 H 1 0.91 0.01 . 2 . . . . . . . . 6087 1 428 . 1 1 44 44 LEU CA C 13 58.5 0.1 . 1 . . . . . . . . 6087 1 429 . 1 1 44 44 LEU CD1 C 13 23.5 0.1 . 1 . . . . . . . . 6087 1 430 . 1 1 45 45 TYR H H 1 7.76 0.01 . 1 . . . . . . . . 6087 1 431 . 1 1 45 45 TYR HA H 1 4.50 0.01 . 1 . . . . . . . . 6087 1 432 . 1 1 45 45 TYR HB2 H 1 3.20 0.01 . 2 . . . . . . . . 6087 1 433 . 1 1 45 45 TYR HB3 H 1 3.06 0.01 . 2 . . . . . . . . 6087 1 434 . 1 1 45 45 TYR HD1 H 1 7.12 0.01 . 1 . . . . . . . . 6087 1 435 . 1 1 45 45 TYR HD2 H 1 7.12 0.01 . 1 . . . . . . . . 6087 1 436 . 1 1 45 45 TYR HE1 H 1 6.83 0.01 . 1 . . . . . . . . 6087 1 437 . 1 1 45 45 TYR HE2 H 1 6.83 0.01 . 1 . . . . . . . . 6087 1 438 . 1 1 45 45 TYR CA C 13 60.4 0.1 . 1 . . . . . . . . 6087 1 439 . 1 1 45 45 TYR CB C 13 39.7 0.1 . 1 . . . . . . . . 6087 1 440 . 1 1 45 45 TYR CD1 C 13 134.0 0.1 . 1 . . . . . . . . 6087 1 441 . 1 1 45 45 TYR CD2 C 13 134.0 0.1 . 1 . . . . . . . . 6087 1 442 . 1 1 45 45 TYR CE1 C 13 119.2 0.1 . 1 . . . . . . . . 6087 1 443 . 1 1 45 45 TYR CE2 C 13 119.2 0.1 . 1 . . . . . . . . 6087 1 444 . 1 1 46 46 GLY H H 1 7.87 0.01 . 1 . . . . . . . . 6087 1 445 . 1 1 46 46 GLY HA2 H 1 3.98 0.01 . 2 . . . . . . . . 6087 1 446 . 1 1 46 46 GLY HA3 H 1 3.85 0.01 . 2 . . . . . . . . 6087 1 447 . 1 1 46 46 GLY CA C 13 47.0 0.1 . 1 . . . . . . . . 6087 1 448 . 1 1 47 47 VAL H H 1 7.52 0.01 . 1 . . . . . . . . 6087 1 449 . 1 1 47 47 VAL HA H 1 4.33 0.01 . 1 . . . . . . . . 6087 1 450 . 1 1 47 47 VAL HB H 1 2.29 0.01 . 1 . . . . . . . . 6087 1 451 . 1 1 47 47 VAL HG11 H 1 0.97 0.01 . 2 . . . . . . . . 6087 1 452 . 1 1 47 47 VAL HG12 H 1 0.97 0.01 . 2 . . . . . . . . 6087 1 453 . 1 1 47 47 VAL HG13 H 1 0.97 0.01 . 2 . . . . . . . . 6087 1 454 . 1 1 47 47 VAL HG21 H 1 0.94 0.01 . 2 . . . . . . . . 6087 1 455 . 1 1 47 47 VAL HG22 H 1 0.94 0.01 . 2 . . . . . . . . 6087 1 456 . 1 1 47 47 VAL HG23 H 1 0.94 0.01 . 2 . . . . . . . . 6087 1 457 . 1 1 47 47 VAL CA C 13 62.3 0.1 . 1 . . . . . . . . 6087 1 458 . 1 1 47 47 VAL CB C 13 33.1 0.1 . 1 . . . . . . . . 6087 1 459 . 1 1 47 47 VAL CG1 C 13 21.1 0.1 . 1 . . . . . . . . 6087 1 460 . 1 1 47 47 VAL CG2 C 13 21.7 0.1 . 1 . . . . . . . . 6087 1 461 . 1 1 48 48 TRP H H 1 7.71 0.01 . 1 . . . . . . . . 6087 1 462 . 1 1 48 48 TRP HA H 1 4.76 0.01 . 1 . . . . . . . . 6087 1 463 . 1 1 48 48 TRP HB2 H 1 3.47 0.01 . 2 . . . . . . . . 6087 1 464 . 1 1 48 48 TRP HB3 H 1 3.40 0.01 . 2 . . . . . . . . 6087 1 465 . 1 1 48 48 TRP HD1 H 1 7.25 0.01 . 1 . . . . . . . . 6087 1 466 . 1 1 48 48 TRP HE1 H 1 9.33 0.01 . 1 . . . . . . . . 6087 1 467 . 1 1 48 48 TRP HE3 H 1 7.55 0.01 . 1 . . . . . . . . 6087 1 468 . 1 1 48 48 TRP HZ2 H 1 7.41 0.01 . 1 . . . . . . . . 6087 1 469 . 1 1 48 48 TRP HZ3 H 1 7.08 0.01 . 1 . . . . . . . . 6087 1 470 . 1 1 48 48 TRP HH2 H 1 7.18 0.01 . 1 . . . . . . . . 6087 1 471 . 1 1 48 48 TRP CA C 13 61.3 0.1 . 1 . . . . . . . . 6087 1 472 . 1 1 48 48 TRP CB C 13 29.1 0.1 . 1 . . . . . . . . 6087 1 473 . 1 1 48 48 TRP CD1 C 13 127.4 0.1 . 1 . . . . . . . . 6087 1 474 . 1 1 48 48 TRP CE3 C 13 121.8 0.1 . 1 . . . . . . . . 6087 1 475 . 1 1 48 48 TRP CZ2 C 13 115.4 0.1 . 1 . . . . . . . . 6087 1 476 . 1 1 48 48 TRP CZ3 C 13 123.0 0.1 . 1 . . . . . . . . 6087 1 477 . 1 1 48 48 TRP CH2 C 13 125.8 0.1 . 1 . . . . . . . . 6087 1 478 . 1 1 49 49 PRO HA H 1 4.19 0.01 . 1 . . . . . . . . 6087 1 479 . 1 1 49 49 PRO HB2 H 1 2.23 0.01 . 2 . . . . . . . . 6087 1 480 . 1 1 49 49 PRO HB3 H 1 1.73 0.01 . 2 . . . . . . . . 6087 1 481 . 1 1 49 49 PRO HG2 H 1 1.92 0.01 . 2 . . . . . . . . 6087 1 482 . 1 1 49 49 PRO HG3 H 1 1.49 0.01 . 2 . . . . . . . . 6087 1 483 . 1 1 49 49 PRO HD2 H 1 3.48 0.01 . 2 . . . . . . . . 6087 1 484 . 1 1 49 49 PRO HD3 H 1 3.42 0.01 . 2 . . . . . . . . 6087 1 485 . 1 1 49 49 PRO CA C 13 67.2 0.1 . 1 . . . . . . . . 6087 1 486 . 1 1 49 49 PRO CB C 13 32.1 0.1 . 1 . . . . . . . . 6087 1 487 . 1 1 49 49 PRO CG C 13 29.0 0.1 . 1 . . . . . . . . 6087 1 488 . 1 1 49 49 PRO CD C 13 51.4 0.1 . 1 . . . . . . . . 6087 1 489 . 1 1 50 50 LEU H H 1 8.06 0.01 . 1 . . . . . . . . 6087 1 490 . 1 1 50 50 LEU HA H 1 4.26 0.01 . 1 . . . . . . . . 6087 1 491 . 1 1 50 50 LEU HB2 H 1 1.92 0.01 . 2 . . . . . . . . 6087 1 492 . 1 1 50 50 LEU HB3 H 1 1.57 0.01 . 2 . . . . . . . . 6087 1 493 . 1 1 50 50 LEU HD11 H 1 0.92 0.01 . 1 . . . . . . . . 6087 1 494 . 1 1 50 50 LEU HD12 H 1 0.92 0.01 . 1 . . . . . . . . 6087 1 495 . 1 1 50 50 LEU HD13 H 1 0.92 0.01 . 1 . . . . . . . . 6087 1 496 . 1 1 50 50 LEU HD21 H 1 0.92 0.01 . 1 . . . . . . . . 6087 1 497 . 1 1 50 50 LEU HD22 H 1 0.92 0.01 . 1 . . . . . . . . 6087 1 498 . 1 1 50 50 LEU HD23 H 1 0.92 0.01 . 1 . . . . . . . . 6087 1 499 . 1 1 50 50 LEU CA C 13 57.7 0.1 . 1 . . . . . . . . 6087 1 500 . 1 1 51 51 LEU H H 1 7.80 0.01 . 1 . . . . . . . . 6087 1 501 . 1 1 51 51 LEU HA H 1 4.04 0.01 . 1 . . . . . . . . 6087 1 502 . 1 1 51 51 LEU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 6087 1 503 . 1 1 51 51 LEU HB3 H 1 1.55 0.01 . 2 . . . . . . . . 6087 1 504 . 1 1 51 51 LEU HD11 H 1 0.87 0.01 . 1 . . . . . . . . 6087 1 505 . 1 1 51 51 LEU HD12 H 1 0.87 0.01 . 1 . . . . . . . . 6087 1 506 . 1 1 51 51 LEU HD13 H 1 0.87 0.01 . 1 . . . . . . . . 6087 1 507 . 1 1 51 51 LEU HD21 H 1 0.87 0.01 . 1 . . . . . . . . 6087 1 508 . 1 1 51 51 LEU HD22 H 1 0.87 0.01 . 1 . . . . . . . . 6087 1 509 . 1 1 51 51 LEU HD23 H 1 0.87 0.01 . 1 . . . . . . . . 6087 1 510 . 1 1 51 51 LEU CA C 13 59.2 0.1 . 1 . . . . . . . . 6087 1 511 . 1 1 52 52 LEU H H 1 7.43 0.01 . 1 . . . . . . . . 6087 1 512 . 1 1 52 52 LEU HA H 1 4.16 0.01 . 1 . . . . . . . . 6087 1 513 . 1 1 52 52 LEU HB2 H 1 1.80 0.01 . 1 . . . . . . . . 6087 1 514 . 1 1 52 52 LEU HB3 H 1 1.80 0.01 . 1 . . . . . . . . 6087 1 515 . 1 1 52 52 LEU HD11 H 1 0.94 0.01 . 1 . . . . . . . . 6087 1 516 . 1 1 52 52 LEU HD12 H 1 0.94 0.01 . 1 . . . . . . . . 6087 1 517 . 1 1 52 52 LEU HD13 H 1 0.94 0.01 . 1 . . . . . . . . 6087 1 518 . 1 1 52 52 LEU HD21 H 1 0.94 0.01 . 1 . . . . . . . . 6087 1 519 . 1 1 52 52 LEU HD22 H 1 0.94 0.01 . 1 . . . . . . . . 6087 1 520 . 1 1 52 52 LEU HD23 H 1 0.94 0.01 . 1 . . . . . . . . 6087 1 521 . 1 1 52 52 LEU CA C 13 59.1 0.1 . 1 . . . . . . . . 6087 1 522 . 1 1 53 53 LEU H H 1 8.02 0.01 . 1 . . . . . . . . 6087 1 523 . 1 1 53 53 LEU HA H 1 4.15 0.01 . 1 . . . . . . . . 6087 1 524 . 1 1 53 53 LEU HB2 H 1 1.96 0.01 . 2 . . . . . . . . 6087 1 525 . 1 1 53 53 LEU HB3 H 1 1.91 0.01 . 2 . . . . . . . . 6087 1 526 . 1 1 53 53 LEU HG H 1 1.79 0.01 . 1 . . . . . . . . 6087 1 527 . 1 1 53 53 LEU HD11 H 1 0.91 0.01 . 1 . . . . . . . . 6087 1 528 . 1 1 53 53 LEU HD12 H 1 0.91 0.01 . 1 . . . . . . . . 6087 1 529 . 1 1 53 53 LEU HD13 H 1 0.91 0.01 . 1 . . . . . . . . 6087 1 530 . 1 1 53 53 LEU HD21 H 1 0.91 0.01 . 1 . . . . . . . . 6087 1 531 . 1 1 53 53 LEU HD22 H 1 0.91 0.01 . 1 . . . . . . . . 6087 1 532 . 1 1 53 53 LEU HD23 H 1 0.91 0.01 . 1 . . . . . . . . 6087 1 533 . 1 1 53 53 LEU CA C 13 58.8 0.1 . 1 . . . . . . . . 6087 1 534 . 1 1 54 54 LEU H H 1 7.78 0.01 . 1 . . . . . . . . 6087 1 535 . 1 1 54 54 LEU HA H 1 4.22 0.01 . 1 . . . . . . . . 6087 1 536 . 1 1 54 54 LEU HB2 H 1 1.63 0.01 . 1 . . . . . . . . 6087 1 537 . 1 1 54 54 LEU HB3 H 1 1.63 0.01 . 1 . . . . . . . . 6087 1 538 . 1 1 54 54 LEU HG H 1 1.55 0.01 . 1 . . . . . . . . 6087 1 539 . 1 1 54 54 LEU HD11 H 1 0.88 0.01 . 2 . . . . . . . . 6087 1 540 . 1 1 54 54 LEU HD12 H 1 0.88 0.01 . 2 . . . . . . . . 6087 1 541 . 1 1 54 54 LEU HD13 H 1 0.88 0.01 . 2 . . . . . . . . 6087 1 542 . 1 1 54 54 LEU HD21 H 1 0.81 0.01 . 2 . . . . . . . . 6087 1 543 . 1 1 54 54 LEU HD22 H 1 0.81 0.01 . 2 . . . . . . . . 6087 1 544 . 1 1 54 54 LEU HD23 H 1 0.81 0.01 . 2 . . . . . . . . 6087 1 545 . 1 1 54 54 LEU CA C 13 59.4 0.1 . 1 . . . . . . . . 6087 1 546 . 1 1 54 54 LEU CD2 C 13 23.8 0.1 . 1 . . . . . . . . 6087 1 547 . 1 1 55 55 LEU H H 1 7.71 0.01 . 1 . . . . . . . . 6087 1 548 . 1 1 55 55 LEU HA H 1 4.08 0.01 . 1 . . . . . . . . 6087 1 549 . 1 1 55 55 LEU HB2 H 1 1.81 0.01 . 2 . . . . . . . . 6087 1 550 . 1 1 55 55 LEU HB3 H 1 1.75 0.01 . 2 . . . . . . . . 6087 1 551 . 1 1 55 55 LEU HG H 1 1.65 0.01 . 1 . . . . . . . . 6087 1 552 . 1 1 55 55 LEU HD11 H 1 0.93 0.01 . 2 . . . . . . . . 6087 1 553 . 1 1 55 55 LEU HD12 H 1 0.93 0.01 . 2 . . . . . . . . 6087 1 554 . 1 1 55 55 LEU HD13 H 1 0.93 0.01 . 2 . . . . . . . . 6087 1 555 . 1 1 55 55 LEU HD21 H 1 0.88 0.01 . 2 . . . . . . . . 6087 1 556 . 1 1 55 55 LEU HD22 H 1 0.88 0.01 . 2 . . . . . . . . 6087 1 557 . 1 1 55 55 LEU HD23 H 1 0.88 0.01 . 2 . . . . . . . . 6087 1 558 . 1 1 55 55 LEU CA C 13 59.3 0.1 . 1 . . . . . . . . 6087 1 559 . 1 1 56 56 ALA H H 1 7.80 0.01 . 1 . . . . . . . . 6087 1 560 . 1 1 56 56 ALA HA H 1 4.34 0.01 . 1 . . . . . . . . 6087 1 561 . 1 1 56 56 ALA HB1 H 1 1.55 0.01 . 1 . . . . . . . . 6087 1 562 . 1 1 56 56 ALA HB2 H 1 1.55 0.01 . 1 . . . . . . . . 6087 1 563 . 1 1 56 56 ALA HB3 H 1 1.55 0.01 . 1 . . . . . . . . 6087 1 564 . 1 1 56 56 ALA CA C 13 54.2 0.1 . 1 . . . . . . . . 6087 1 565 . 1 1 56 56 ALA CB C 13 19.9 0.1 . 1 . . . . . . . . 6087 1 566 . 1 1 57 57 LEU H H 1 7.58 0.01 . 1 . . . . . . . . 6087 1 567 . 1 1 57 57 LEU HA H 1 4.64 0.01 . 1 . . . . . . . . 6087 1 568 . 1 1 57 57 LEU HB2 H 1 1.93 0.01 . 2 . . . . . . . . 6087 1 569 . 1 1 57 57 LEU HB3 H 1 1.87 0.01 . 2 . . . . . . . . 6087 1 570 . 1 1 57 57 LEU HG H 1 1.51 0.01 . 1 . . . . . . . . 6087 1 571 . 1 1 57 57 LEU HD11 H 1 0.94 0.01 . 1 . . . . . . . . 6087 1 572 . 1 1 57 57 LEU HD12 H 1 0.94 0.01 . 1 . . . . . . . . 6087 1 573 . 1 1 57 57 LEU HD13 H 1 0.94 0.01 . 1 . . . . . . . . 6087 1 574 . 1 1 57 57 LEU HD21 H 1 0.94 0.01 . 1 . . . . . . . . 6087 1 575 . 1 1 57 57 LEU HD22 H 1 0.94 0.01 . 1 . . . . . . . . 6087 1 576 . 1 1 57 57 LEU HD23 H 1 0.94 0.01 . 1 . . . . . . . . 6087 1 577 . 1 1 57 57 LEU CA C 13 55.0 0.1 . 1 . . . . . . . . 6087 1 578 . 1 1 58 58 PRO HA H 1 4.67 0.01 . 1 . . . . . . . . 6087 1 579 . 1 1 58 58 PRO HB2 H 1 2.37 0.01 . 2 . . . . . . . . 6087 1 580 . 1 1 58 58 PRO HB3 H 1 1.92 0.01 . 2 . . . . . . . . 6087 1 581 . 1 1 58 58 PRO HG2 H 1 2.10 0.01 . 1 . . . . . . . . 6087 1 582 . 1 1 58 58 PRO HG3 H 1 2.10 0.01 . 1 . . . . . . . . 6087 1 583 . 1 1 58 58 PRO HD2 H 1 3.94 0.01 . 2 . . . . . . . . 6087 1 584 . 1 1 58 58 PRO HD3 H 1 3.59 0.01 . 2 . . . . . . . . 6087 1 585 . 1 1 58 58 PRO CA C 13 63.6 0.1 . 1 . . . . . . . . 6087 1 586 . 1 1 58 58 PRO CB C 13 31.6 0.1 . 1 . . . . . . . . 6087 1 587 . 1 1 58 58 PRO CG C 13 28.4 0.1 . 1 . . . . . . . . 6087 1 588 . 1 1 58 58 PRO CD C 13 51.3 0.1 . 1 . . . . . . . . 6087 1 589 . 1 1 59 59 PRO HA H 1 4.36 0.01 . 1 . . . . . . . . 6087 1 590 . 1 1 59 59 PRO HB2 H 1 1.93 0.01 . 1 . . . . . . . . 6087 1 591 . 1 1 59 59 PRO HB3 H 1 1.93 0.01 . 1 . . . . . . . . 6087 1 592 . 1 1 59 59 PRO HG2 H 1 2.09 0.01 . 1 . . . . . . . . 6087 1 593 . 1 1 59 59 PRO HG3 H 1 2.09 0.01 . 1 . . . . . . . . 6087 1 594 . 1 1 59 59 PRO HD2 H 1 3.83 0.01 . 2 . . . . . . . . 6087 1 595 . 1 1 59 59 PRO HD3 H 1 3.61 0.01 . 2 . . . . . . . . 6087 1 596 . 1 1 59 59 PRO CA C 13 65.6 0.1 . 1 . . . . . . . . 6087 1 597 . 1 1 59 59 PRO CB C 13 32.5 0.1 . 1 . . . . . . . . 6087 1 598 . 1 1 59 59 PRO CG C 13 28.4 0.1 . 1 . . . . . . . . 6087 1 599 . 1 1 59 59 PRO CD C 13 51.3 0.1 . 1 . . . . . . . . 6087 1 600 . 1 1 60 60 ARG H H 1 7.47 0.01 . 1 . . . . . . . . 6087 1 601 . 1 1 60 60 ARG HA H 1 4.26 0.01 . 1 . . . . . . . . 6087 1 602 . 1 1 60 60 ARG HB2 H 1 1.81 0.01 . 2 . . . . . . . . 6087 1 603 . 1 1 60 60 ARG HB3 H 1 1.77 0.01 . 2 . . . . . . . . 6087 1 604 . 1 1 60 60 ARG HG2 H 1 1.67 0.01 . 1 . . . . . . . . 6087 1 605 . 1 1 60 60 ARG HG3 H 1 1.67 0.01 . 1 . . . . . . . . 6087 1 606 . 1 1 60 60 ARG HD2 H 1 3.21 0.01 . 1 . . . . . . . . 6087 1 607 . 1 1 60 60 ARG HD3 H 1 3.21 0.01 . 1 . . . . . . . . 6087 1 608 . 1 1 60 60 ARG CA C 13 57.4 0.1 . 1 . . . . . . . . 6087 1 609 . 1 1 60 60 ARG CB C 13 31.9 0.1 . 1 . . . . . . . . 6087 1 610 . 1 1 60 60 ARG CG C 13 28.0 0.1 . 1 . . . . . . . . 6087 1 611 . 1 1 60 60 ARG CD C 13 44.4 0.1 . 1 . . . . . . . . 6087 1 612 . 1 1 61 61 ALA H H 1 7.75 0.01 . 1 . . . . . . . . 6087 1 613 . 1 1 61 61 ALA HA H 1 4.24 0.01 . 1 . . . . . . . . 6087 1 614 . 1 1 61 61 ALA HB1 H 1 1.34 0.01 . 1 . . . . . . . . 6087 1 615 . 1 1 61 61 ALA HB2 H 1 1.34 0.01 . 1 . . . . . . . . 6087 1 616 . 1 1 61 61 ALA HB3 H 1 1.34 0.01 . 1 . . . . . . . . 6087 1 617 . 1 1 61 61 ALA CA C 13 54.2 0.1 . 1 . . . . . . . . 6087 1 618 . 1 1 61 61 ALA CB C 13 19.8 0.1 . 1 . . . . . . . . 6087 1 619 . 1 1 62 62 TYR H H 1 7.34 0.01 . 1 . . . . . . . . 6087 1 620 . 1 1 62 62 TYR HA H 1 4.60 0.01 . 1 . . . . . . . . 6087 1 621 . 1 1 62 62 TYR HB2 H 1 3.08 0.01 . 2 . . . . . . . . 6087 1 622 . 1 1 62 62 TYR HB3 H 1 2.98 0.01 . 2 . . . . . . . . 6087 1 623 . 1 1 62 62 TYR HD1 H 1 7.09 0.01 . 1 . . . . . . . . 6087 1 624 . 1 1 62 62 TYR HD2 H 1 7.09 0.01 . 1 . . . . . . . . 6087 1 625 . 1 1 62 62 TYR HE1 H 1 6.81 0.01 . 1 . . . . . . . . 6087 1 626 . 1 1 62 62 TYR HE2 H 1 6.81 0.01 . 1 . . . . . . . . 6087 1 627 . 1 1 62 62 TYR CA C 13 58.5 0.1 . 1 . . . . . . . . 6087 1 628 . 1 1 62 62 TYR CB C 13 40.1 0.1 . 1 . . . . . . . . 6087 1 629 . 1 1 62 62 TYR CD1 C 13 134.2 0.1 . 1 . . . . . . . . 6087 1 630 . 1 1 62 62 TYR CD2 C 13 134.2 0.1 . 1 . . . . . . . . 6087 1 631 . 1 1 62 62 TYR CE1 C 13 119.2 0.1 . 1 . . . . . . . . 6087 1 632 . 1 1 62 62 TYR CE2 C 13 119.2 0.1 . 1 . . . . . . . . 6087 1 633 . 1 1 63 63 ALA H H 1 7.48 0.01 . 1 . . . . . . . . 6087 1 634 . 1 1 63 63 ALA HA H 1 4.40 0.01 . 1 . . . . . . . . 6087 1 635 . 1 1 63 63 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 6087 1 636 . 1 1 63 63 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 6087 1 637 . 1 1 63 63 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 6087 1 638 . 1 1 63 63 ALA CA C 13 52.5 0.1 . 1 . . . . . . . . 6087 1 639 . 1 1 63 63 ALA CB C 13 19.8 0.1 . 1 . . . . . . . . 6087 1 stop_ save_