data_15951 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15951 _Entry.Title ; HCV p7 tm2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-12 _Entry.Accession_date 2008-09-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Roland Montserret . . . 15951 2 Francois Penin . . . 15951 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15951 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HCV . 15951 'ion chaneling' . 15951 'p7 polypeptide' . 15951 transmembrane . 15951 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15951 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 86 15951 '1H chemical shifts' 224 15951 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 4 . . 2010-10-05 2008-09-12 update BMRB 'update entry citation' 15951 3 . . 2010-08-12 2008-09-12 update BMRB 'update entry citation' 15951 2 . . 2009-06-01 2008-09-12 update BMRB 'complete entry citation' 15951 1 . . 2009-05-29 2008-09-12 original author 'original release' 15951 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6087 'HCV p7' 15951 PDB 2K8J 'BMRB Entry Tracking System' 15951 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15951 _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 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 41 _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 31446 _Citation.Page_last 31461 _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 . . . 15951 1 2 Nathalie Saint . . . 15951 1 3 Christophe Vanbelle . . . 15951 1 4 'Andres Gerardo' Salvay . . . 15951 1 5 Jean-Pierre Simorre . . . 15951 1 6 Christine Ebel . . . 15951 1 7 Nicolas Sapay . . . 15951 1 8 Jean-Guillaume Renisio . . . 15951 1 9 Anja Bockmann . . . 15951 1 10 Eike Steinmann . . . 15951 1 11 Thomas Pietschmann . . . 15951 1 12 Jean Dubuisson . . . 15951 1 13 Christophe Chipot . . . 15951 1 14 Francois Penin . . . 15951 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 15951 _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 . . . 15951 2 2 Roland Montserret . . . 15951 2 3 Christophe Chipot . . . 15951 2 4 Francois Penin . . . 15951 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15951 _Assembly.ID 1 _Assembly.Name p7 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 p7tm2 1 $p7tm2 A . yes native yes no . . . 15951 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 yes BMRB 6087 . . 'solution NMR' . . . 15951 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p7tm2 _Entity.Sf_category entity _Entity.Sf_framecode p7tm2 _Entity.Entry_ID 15951 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p7tm2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RLVPGAAYALYGVWPLLLLL LALPPRAYA ; _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 29 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'p7 tm2' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2K8J . "Solution Structure Of Hcv P7 Tm2" . . . . . 100.00 29 100.00 100.00 6.98e-08 . . . . 15951 1 2 no DBJ BAA01943 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 3010 100.00 100.00 1.58e-07 . . . . 15951 1 3 no DBJ BAA03375 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 3010 100.00 100.00 1.51e-07 . . . . 15951 1 4 no DBJ BAA03905 . "polyprotein precursor [Hepatitis C virus genotype 2]" . . . . . 100.00 2284 100.00 100.00 1.36e-07 . . . . 15951 1 5 no DBJ BAA05974 . "fusion protein, composed of HCV p21 (NS2), E.coli dihydroforate reductase, substrate polypeptide for HCV serine proteinase and " . . . . . 100.00 847 100.00 100.00 2.07e-07 . . . . 15951 1 6 no DBJ BAA05975 . "fusion protein, composed of HCV p21 (NS2), HCV p70 (NS3) and TAX of HTLV-I [synthetic construct]" . . . . . 100.00 1288 100.00 100.00 1.59e-07 . . . . 15951 1 7 no EMBL CAB41951 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 3010 100.00 100.00 1.72e-07 . . . . 15951 1 8 no EMBL CAB46677 . "polyprotein [Hepatitis C virus subtype 1b]" . . . . . 100.00 3010 100.00 100.00 1.61e-07 . . . . 15951 1 9 no EMBL CAC81096 . "non-structural protein, partial [Hepatitis C virus subtype 1b]" . . . . . 100.00 70 100.00 100.00 3.05e-08 . . . . 15951 1 10 no EMBL CAC83165 . "p7/NS2 protein, partial [Hepatitis C virus subtype 1b]" . . . . . 100.00 70 100.00 100.00 4.85e-08 . . . . 15951 1 11 no EMBL CAC83167 . "p7/NS2 protein, partial [Hepatitis C virus subtype 1b]" . . . . . 100.00 70 100.00 100.00 4.65e-08 . . . . 15951 1 12 no GB AAA45721 . "polyprotein [Hepatitis C virus subtype 1b]" . . . . . 100.00 3010 100.00 100.00 1.76e-07 . . . . 15951 1 13 no GB AAA52748 . "polyprotein [Hepatitis C virus subtype 1b]" . . . . . 100.00 3010 100.00 100.00 1.76e-07 . . . . 15951 1 14 no GB AAA86907 . "polyprotein [Hepatitis C virus subtype 1b]" . . . . . 100.00 3010 100.00 100.00 1.60e-07 . . . . 15951 1 15 no GB AAA86919 . "polyprotein, partial [Hepatitis C virus]" . . . . . 51.72 802 100.00 100.00 9.95e+00 . . . . 15951 1 16 no GB AAD50312 . "polyprotein precursor [Hepatitis C virus subtype 1b]" . . . . . 100.00 3010 100.00 100.00 1.66e-07 . . . . 15951 1 17 no PRF 1904413A . "polyprotein [Hepatitis C virus]" . . . . . 100.00 3010 100.00 100.00 1.58e-07 . . . . 15951 1 18 no SP P26662 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 3010 100.00 100.00 1.61e-07 . . . . 15951 1 19 no SP P29846 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 3010 100.00 100.00 1.64e-07 . . . . 15951 1 20 no SP Q00269 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 3010 100.00 100.00 1.58e-07 . . . . 15951 1 21 no SP Q9WMX2 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 3010 100.00 100.00 1.61e-07 . . . . 15951 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 . ARG . 15951 1 2 . LEU . 15951 1 3 . VAL . 15951 1 4 . PRO . 15951 1 5 . GLY . 15951 1 6 . ALA . 15951 1 7 . ALA . 15951 1 8 . TYR . 15951 1 9 . ALA . 15951 1 10 . LEU . 15951 1 11 . TYR . 15951 1 12 . GLY . 15951 1 13 . VAL . 15951 1 14 . TRP . 15951 1 15 . PRO . 15951 1 16 . LEU . 15951 1 17 . LEU . 15951 1 18 . LEU . 15951 1 19 . LEU . 15951 1 20 . LEU . 15951 1 21 . LEU . 15951 1 22 . ALA . 15951 1 23 . LEU . 15951 1 24 . PRO . 15951 1 25 . PRO . 15951 1 26 . ARG . 15951 1 27 . ALA . 15951 1 28 . TYR . 15951 1 29 . ALA . 15951 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 . ARG 1 1 15951 1 . LEU 2 2 15951 1 . VAL 3 3 15951 1 . PRO 4 4 15951 1 . GLY 5 5 15951 1 . ALA 6 6 15951 1 . ALA 7 7 15951 1 . TYR 8 8 15951 1 . ALA 9 9 15951 1 . LEU 10 10 15951 1 . TYR 11 11 15951 1 . GLY 12 12 15951 1 . VAL 13 13 15951 1 . TRP 14 14 15951 1 . PRO 15 15 15951 1 . LEU 16 16 15951 1 . LEU 17 17 15951 1 . LEU 18 18 15951 1 . LEU 19 19 15951 1 . LEU 20 20 15951 1 . LEU 21 21 15951 1 . ALA 22 22 15951 1 . LEU 23 23 15951 1 . PRO 24 24 15951 1 . PRO 25 25 15951 1 . ARG 26 26 15951 1 . ALA 27 27 15951 1 . TYR 28 28 15951 1 . ALA 29 29 15951 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 15951 _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 $p7tm2 . 11103 organism . 'Hepatitis C virus' 'Hepatitis C virus' . . Viruses . Hepacivirus 'Hepatitis C virus' 'Shimothono 1b' . . . . . . . . . . . . . . . . . . . . 15951 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 15951 _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 $p7tm2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . none . . . . . . 15951 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15951 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 p7tm2 'natural abundance' . . 1 $p7tm2 . . 1 . . mM 0.2 . . . 15951 1 2 trifluoroethanol 'natural abundance' . . . . . . 90 . . % . . . . 15951 1 3 H2O 'natural abundance' . . . . . . 10 . . % . . . . 15951 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15951 _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 7 . pH 15951 1 pressure 1 . atm 15951 1 temperature 298 0.1 K 15951 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15951 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15951 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15951 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15951 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15951 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15951 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian UnityPlus . 500 . . . 15951 1 2 spectrometer_2 Varian INOVA . 800 . . . 15951 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 15951 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15951 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15951 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15951 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15951 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15951 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15951 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15951 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 15951 1 2 '2D 1H-1H TOCSY' . . . 15951 1 3 '2D 1H-13C HSQC' . . . 15951 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 ARG HA H 1 4.08 0.01 . 1 . . . . 1 ARG HA . 15951 1 2 . 1 1 1 1 ARG HB2 H 1 1.99 0.01 . 1 . . . . 1 ARG HB2 . 15951 1 3 . 1 1 1 1 ARG HB3 H 1 1.99 0.01 . 1 . . . . 1 ARG HB3 . 15951 1 4 . 1 1 1 1 ARG HD2 H 1 3.24 0.01 . 1 . . . . 1 ARG HD2 . 15951 1 5 . 1 1 1 1 ARG HD3 H 1 3.24 0.01 . 1 . . . . 1 ARG HD3 . 15951 1 6 . 1 1 1 1 ARG HE H 1 7.23 0.01 . 1 . . . . 1 ARG HE . 15951 1 7 . 1 1 1 1 ARG HG2 H 1 1.73 0.01 . 2 . . . . 1 ARG HG2 . 15951 1 8 . 1 1 1 1 ARG HG3 H 1 1.67 0.01 . 2 . . . . 1 ARG HG3 . 15951 1 9 . 1 1 1 1 ARG CA C 13 56.46 0.01 . 1 . . . . 1 ARG CA . 15951 1 10 . 1 1 1 1 ARG CB C 13 31.88 0.01 . 1 . . . . 1 ARG CB . 15951 1 11 . 1 1 1 1 ARG CD C 13 44.13 0.01 . 1 . . . . 1 ARG CD . 15951 1 12 . 1 1 1 1 ARG CG C 13 27.05 0.01 . 1 . . . . 1 ARG CG . 15951 1 13 . 1 1 2 2 LEU H H 1 8.47 0.01 . 1 . . . . 2 LEU H . 15951 1 14 . 1 1 2 2 LEU HA H 1 4.50 0.01 . 1 . . . . 2 LEU HA . 15951 1 15 . 1 1 2 2 LEU HB2 H 1 1.66 0.01 . 2 . . . . 2 LEU HB2 . 15951 1 16 . 1 1 2 2 LEU HB3 H 1 1.62 0.01 . 2 . . . . 2 LEU HB3 . 15951 1 17 . 1 1 2 2 LEU HD11 H 1 0.95 0.01 . 2 . . . . 2 LEU MD1 . 15951 1 18 . 1 1 2 2 LEU HD12 H 1 0.95 0.01 . 2 . . . . 2 LEU MD1 . 15951 1 19 . 1 1 2 2 LEU HD13 H 1 0.95 0.01 . 2 . . . . 2 LEU MD1 . 15951 1 20 . 1 1 2 2 LEU HD21 H 1 0.91 0.01 . 2 . . . . 2 LEU MD2 . 15951 1 21 . 1 1 2 2 LEU HD22 H 1 0.91 0.01 . 2 . . . . 2 LEU MD2 . 15951 1 22 . 1 1 2 2 LEU HD23 H 1 0.91 0.01 . 2 . . . . 2 LEU MD2 . 15951 1 23 . 1 1 2 2 LEU CA C 13 56.34 0.01 . 1 . . . . 2 LEU CA . 15951 1 24 . 1 1 2 2 LEU CB C 13 43.69 0.01 . 1 . . . . 2 LEU CB . 15951 1 25 . 1 1 3 3 VAL H H 1 7.78 0.01 . 1 . . . . 3 VAL H . 15951 1 26 . 1 1 3 3 VAL HA H 1 4.55 0.01 . 1 . . . . 3 VAL HA . 15951 1 27 . 1 1 3 3 VAL HB H 1 2.16 0.01 . 1 . . . . 3 VAL HB . 15951 1 28 . 1 1 3 3 VAL HG11 H 1 0.99 0.01 . 2 . . . . 3 VAL MG1 . 15951 1 29 . 1 1 3 3 VAL HG12 H 1 0.99 0.01 . 2 . . . . 3 VAL MG1 . 15951 1 30 . 1 1 3 3 VAL HG13 H 1 0.99 0.01 . 2 . . . . 3 VAL MG1 . 15951 1 31 . 1 1 3 3 VAL HG21 H 1 0.96 0.01 . 2 . . . . 3 VAL MG2 . 15951 1 32 . 1 1 3 3 VAL HG22 H 1 0.96 0.01 . 2 . . . . 3 VAL MG2 . 15951 1 33 . 1 1 3 3 VAL HG23 H 1 0.96 0.01 . 2 . . . . 3 VAL MG2 . 15951 1 34 . 1 1 3 3 VAL CA C 13 60.38 0.01 . 1 . . . . 3 VAL CA . 15951 1 35 . 1 1 3 3 VAL CB C 13 33.98 0.01 . 1 . . . . 3 VAL CB . 15951 1 36 . 1 1 3 3 VAL CG1 C 13 21.83 0.01 . 2 . . . . 3 VAL CG1 . 15951 1 37 . 1 1 3 3 VAL CG2 C 13 20.60 0.01 . 2 . . . . 3 VAL CG2 . 15951 1 38 . 1 1 4 4 PRO HA H 1 4.37 0.01 . 1 . . . . 4 PRO HA . 15951 1 39 . 1 1 4 4 PRO HB2 H 1 2.30 0.01 . 2 . . . . 4 PRO HB2 . 15951 1 40 . 1 1 4 4 PRO HB3 H 1 1.99 0.01 . 2 . . . . 4 PRO HB3 . 15951 1 41 . 1 1 4 4 PRO HD2 H 1 3.86 0.01 . 2 . . . . 4 PRO HD2 . 15951 1 42 . 1 1 4 4 PRO HD3 H 1 3.71 0.01 . 2 . . . . 4 PRO HD3 . 15951 1 43 . 1 1 4 4 PRO HG2 H 1 2.12 0.01 . 2 . . . . 4 PRO HG2 . 15951 1 44 . 1 1 4 4 PRO HG3 H 1 1.99 0.01 . 2 . . . . 4 PRO HG3 . 15951 1 45 . 1 1 4 4 PRO CA C 13 64.80 0.01 . 1 . . . . 4 PRO CA . 15951 1 46 . 1 1 4 4 PRO CB C 13 32.66 0.01 . 1 . . . . 4 PRO CB . 15951 1 47 . 1 1 4 4 PRO CD C 13 51.69 0.01 . 1 . . . . 4 PRO CD . 15951 1 48 . 1 1 4 4 PRO CG C 13 28.17 0.01 . 1 . . . . 4 PRO CG . 15951 1 49 . 1 1 5 5 GLY H H 1 8.15 0.01 . 1 . . . . 5 GLY H . 15951 1 50 . 1 1 5 5 GLY HA2 H 1 4.03 0.01 . 2 . . . . 5 GLY HA2 . 15951 1 51 . 1 1 5 5 GLY HA3 H 1 3.90 0.01 . 2 . . . . 5 GLY HA3 . 15951 1 52 . 1 1 5 5 GLY CA C 13 46.82 0.01 . 1 . . . . 5 GLY CA . 15951 1 53 . 1 1 6 6 ALA H H 1 7.85 0.01 . 1 . . . . 6 ALA H . 15951 1 54 . 1 1 6 6 ALA HA H 1 4.24 0.01 . 1 . . . . 6 ALA HA . 15951 1 55 . 1 1 6 6 ALA HB1 H 1 1.44 0.01 . 1 . . . . 6 ALA MB . 15951 1 56 . 1 1 6 6 ALA HB2 H 1 1.44 0.01 . 1 . . . . 6 ALA MB . 15951 1 57 . 1 1 6 6 ALA HB3 H 1 1.44 0.01 . 1 . . . . 6 ALA MB . 15951 1 58 . 1 1 6 6 ALA CA C 13 54.77 0.01 . 1 . . . . 6 ALA CA . 15951 1 59 . 1 1 6 6 ALA CB C 13 19.38 0.01 . 1 . . . . 6 ALA CB . 15951 1 60 . 1 1 7 7 ALA H H 1 7.92 0.01 . 1 . . . . 7 ALA H . 15951 1 61 . 1 1 7 7 ALA HA H 1 4.14 0.01 . 1 . . . . 7 ALA HA . 15951 1 62 . 1 1 7 7 ALA HB1 H 1 1.38 0.01 . 1 . . . . 7 ALA MB . 15951 1 63 . 1 1 7 7 ALA HB2 H 1 1.38 0.01 . 1 . . . . 7 ALA MB . 15951 1 64 . 1 1 7 7 ALA HB3 H 1 1.38 0.01 . 1 . . . . 7 ALA MB . 15951 1 65 . 1 1 7 7 ALA CA C 13 55.10 0.01 . 1 . . . . 7 ALA CA . 15951 1 66 . 1 1 7 7 ALA CB C 13 18.85 0.01 . 1 . . . . 7 ALA CB . 15951 1 67 . 1 1 8 8 TYR H H 1 7.58 0.01 . 1 . . . . 8 TYR H . 15951 1 68 . 1 1 8 8 TYR HA H 1 4.37 0.01 . 1 . . . . 8 TYR HA . 15951 1 69 . 1 1 8 8 TYR HB2 H 1 3.11 0.01 . 2 . . . . 8 TYR HB2 . 15951 1 70 . 1 1 8 8 TYR HB3 H 1 3.05 0.01 . 2 . . . . 8 TYR HB3 . 15951 1 71 . 1 1 8 8 TYR HD1 H 1 7.11 0.01 . 1 . . . . 8 TYR HD1 . 15951 1 72 . 1 1 8 8 TYR HD2 H 1 7.11 0.01 . 1 . . . . 8 TYR HD2 . 15951 1 73 . 1 1 8 8 TYR HE1 H 1 6.83 0.01 . 1 . . . . 8 TYR HE1 . 15951 1 74 . 1 1 8 8 TYR HE2 H 1 6.83 0.01 . 1 . . . . 8 TYR HE2 . 15951 1 75 . 1 1 8 8 TYR CA C 13 60.43 0.01 . 1 . . . . 8 TYR CA . 15951 1 76 . 1 1 8 8 TYR CB C 13 39.01 0.01 . 1 . . . . 8 TYR CB . 15951 1 77 . 1 1 8 8 TYR CD1 C 13 134.18 0.01 . 1 . . . . 8 TYR CD1 . 15951 1 78 . 1 1 8 8 TYR CD2 C 13 134.18 0.01 . 1 . . . . 8 TYR CD2 . 15951 1 79 . 1 1 8 8 TYR CE1 C 13 119.13 0.01 . 1 . . . . 8 TYR CE1 . 15951 1 80 . 1 1 8 8 TYR CE2 C 13 119.13 0.01 . 1 . . . . 8 TYR CE2 . 15951 1 81 . 1 1 9 9 ALA H H 1 7.73 0.01 . 1 . . . . 9 ALA H . 15951 1 82 . 1 1 9 9 ALA HA H 1 4.21 0.01 . 1 . . . . 9 ALA HA . 15951 1 83 . 1 1 9 9 ALA HB1 H 1 1.46 0.01 . 1 . . . . 9 ALA MB . 15951 1 84 . 1 1 9 9 ALA HB2 H 1 1.46 0.01 . 1 . . . . 9 ALA MB . 15951 1 85 . 1 1 9 9 ALA HB3 H 1 1.46 0.01 . 1 . . . . 9 ALA MB . 15951 1 86 . 1 1 9 9 ALA CA C 13 55.02 0.01 . 1 . . . . 9 ALA CA . 15951 1 87 . 1 1 9 9 ALA CB C 13 19.18 0.01 . 1 . . . . 9 ALA CB . 15951 1 88 . 1 1 10 10 LEU H H 1 7.76 0.01 . 1 . . . . 10 LEU H . 15951 1 89 . 1 1 10 10 LEU HA H 1 4.24 0.01 . 1 . . . . 10 LEU HA . 15951 1 90 . 1 1 10 10 LEU HB2 H 1 1.63 0.01 . 2 . . . . 10 LEU HB2 . 15951 1 91 . 1 1 10 10 LEU HB3 H 1 1.44 0.01 . 2 . . . . 10 LEU HB3 . 15951 1 92 . 1 1 10 10 LEU HD11 H 1 0.89 0.01 . 2 . . . . 10 LEU MD1 . 15951 1 93 . 1 1 10 10 LEU HD12 H 1 0.89 0.01 . 2 . . . . 10 LEU MD1 . 15951 1 94 . 1 1 10 10 LEU HD13 H 1 0.89 0.01 . 2 . . . . 10 LEU MD1 . 15951 1 95 . 1 1 10 10 LEU HD21 H 1 0.82 0.01 . 2 . . . . 10 LEU MD2 . 15951 1 96 . 1 1 10 10 LEU HD22 H 1 0.82 0.01 . 2 . . . . 10 LEU MD2 . 15951 1 97 . 1 1 10 10 LEU HD23 H 1 0.82 0.01 . 2 . . . . 10 LEU MD2 . 15951 1 98 . 1 1 10 10 LEU CA C 13 57.20 0.01 . 1 . . . . 10 LEU CA . 15951 1 99 . 1 1 10 10 LEU CB C 13 43.09 0.01 . 1 . . . . 10 LEU CB . 15951 1 100 . 1 1 11 11 TYR HA H 1 4.45 0.01 . 1 . . . . 11 TYR HA . 15951 1 101 . 1 1 11 11 TYR HB2 H 1 3.17 0.01 . 2 . . . . 11 TYR HB2 . 15951 1 102 . 1 1 11 11 TYR HB3 H 1 3.06 0.01 . 2 . . . . 11 TYR HB3 . 15951 1 103 . 1 1 11 11 TYR HD1 H 1 7.13 0.01 . 1 . . . . 11 TYR HD1 . 15951 1 104 . 1 1 11 11 TYR HD2 H 1 7.13 0.01 . 1 . . . . 11 TYR HD2 . 15951 1 105 . 1 1 11 11 TYR HE1 H 1 6.82 0.01 . 1 . . . . 11 TYR HE1 . 15951 1 106 . 1 1 11 11 TYR HE2 H 1 6.82 0.01 . 1 . . . . 11 TYR HE2 . 15951 1 107 . 1 1 11 11 TYR CA C 13 60.16 0.01 . 1 . . . . 11 TYR CA . 15951 1 108 . 1 1 11 11 TYR CB C 13 39.42 0.01 . 1 . . . . 11 TYR CB . 15951 1 109 . 1 1 11 11 TYR CD1 C 13 133.85 0.01 . 1 . . . . 11 TYR CD1 . 15951 1 110 . 1 1 11 11 TYR CD2 C 13 133.85 0.01 . 1 . . . . 11 TYR CD2 . 15951 1 111 . 1 1 11 11 TYR CE1 C 13 119.02 0.01 . 1 . . . . 11 TYR CE1 . 15951 1 112 . 1 1 11 11 TYR CE2 C 13 119.02 0.01 . 1 . . . . 11 TYR CE2 . 15951 1 113 . 1 1 12 12 GLY H H 1 7.91 0.01 . 1 . . . . 12 GLY H . 15951 1 114 . 1 1 12 12 GLY HA2 H 1 3.90 0.01 . 1 . . . . 12 GLY HA2 . 15951 1 115 . 1 1 12 12 GLY HA3 H 1 3.90 0.01 . 1 . . . . 12 GLY HA3 . 15951 1 116 . 1 1 12 12 GLY CA C 13 46.72 0.01 . 1 . . . . 12 GLY CA . 15951 1 117 . 1 1 13 13 VAL H H 1 7.65 0.01 . 1 . . . . 13 VAL H . 15951 1 118 . 1 1 13 13 VAL HA H 1 4.33 0.01 . 1 . . . . 13 VAL HA . 15951 1 119 . 1 1 13 13 VAL HB H 1 2.27 0.01 . 1 . . . . 13 VAL HB . 15951 1 120 . 1 1 13 13 VAL HG11 H 1 0.95 0.01 . 2 . . . . 13 VAL MG1 . 15951 1 121 . 1 1 13 13 VAL HG12 H 1 0.95 0.01 . 2 . . . . 13 VAL MG1 . 15951 1 122 . 1 1 13 13 VAL HG13 H 1 0.95 0.01 . 2 . . . . 13 VAL MG1 . 15951 1 123 . 1 1 13 13 VAL HG21 H 1 0.93 0.01 . 2 . . . . 13 VAL MG2 . 15951 1 124 . 1 1 13 13 VAL HG22 H 1 0.93 0.01 . 2 . . . . 13 VAL MG2 . 15951 1 125 . 1 1 13 13 VAL HG23 H 1 0.93 0.01 . 2 . . . . 13 VAL MG2 . 15951 1 126 . 1 1 13 13 VAL CA C 13 62.93 0.01 . 1 . . . . 13 VAL CA . 15951 1 127 . 1 1 13 13 VAL CB C 13 33.51 0.01 . 1 . . . . 13 VAL CB . 15951 1 128 . 1 1 13 13 VAL CG1 C 13 20.85 0.01 . 2 . . . . 13 VAL CG1 . 15951 1 129 . 1 1 13 13 VAL CG2 C 13 21.56 0.01 . 2 . . . . 13 VAL CG2 . 15951 1 130 . 1 1 14 14 TRP H H 1 7.78 0.01 . 1 . . . . 14 TRP H . 15951 1 131 . 1 1 14 14 TRP HA H 1 4.80 0.01 . 1 . . . . 14 TRP HA . 15951 1 132 . 1 1 14 14 TRP HB2 H 1 3.43 0.01 . 2 . . . . 14 TRP HB2 . 15951 1 133 . 1 1 14 14 TRP HB3 H 1 3.38 0.01 . 2 . . . . 14 TRP HB3 . 15951 1 134 . 1 1 14 14 TRP HD1 H 1 7.27 0.01 . 1 . . . . 14 TRP HD1 . 15951 1 135 . 1 1 14 14 TRP HE1 H 1 9.63 0.01 . 1 . . . . 14 TRP HE1 . 15951 1 136 . 1 1 14 14 TRP HE3 H 1 7.55 0.01 . 1 . . . . 14 TRP HE3 . 15951 1 137 . 1 1 14 14 TRP HH2 H 1 7.18 0.01 . 1 . . . . 14 TRP HH2 . 15951 1 138 . 1 1 14 14 TRP HZ2 H 1 7.43 0.01 . 1 . . . . 14 TRP HZ2 . 15951 1 139 . 1 1 14 14 TRP HZ3 H 1 7.07 0.01 . 1 . . . . 14 TRP HZ3 . 15951 1 140 . 1 1 14 14 TRP CB C 13 29.03 0.01 . 1 . . . . 14 TRP CB . 15951 1 141 . 1 1 14 14 TRP CD1 C 13 127.38 0.01 . 1 . . . . 14 TRP CD1 . 15951 1 142 . 1 1 14 14 TRP CE3 C 13 121.74 0.01 . 1 . . . . 14 TRP CE3 . 15951 1 143 . 1 1 14 14 TRP CH2 C 13 125.77 0.01 . 1 . . . . 14 TRP CH2 . 15951 1 144 . 1 1 14 14 TRP CZ2 C 13 115.40 0.01 . 1 . . . . 14 TRP CZ2 . 15951 1 145 . 1 1 14 14 TRP CZ3 C 13 122.91 0.01 . 1 . . . . 14 TRP CZ3 . 15951 1 146 . 1 1 15 15 PRO HA H 1 4.19 0.01 . 1 . . . . 15 PRO HA . 15951 1 147 . 1 1 15 15 PRO HB2 H 1 2.24 0.01 . 2 . . . . 15 PRO HB2 . 15951 1 148 . 1 1 15 15 PRO HB3 H 1 1.73 0.01 . 2 . . . . 15 PRO HB3 . 15951 1 149 . 1 1 15 15 PRO HD2 H 1 3.52 0.01 . 2 . . . . 15 PRO HD2 . 15951 1 150 . 1 1 15 15 PRO HD3 H 1 3.44 0.01 . 2 . . . . 15 PRO HD3 . 15951 1 151 . 1 1 15 15 PRO HG2 H 1 1.93 0.01 . 2 . . . . 15 PRO HG2 . 15951 1 152 . 1 1 15 15 PRO HG3 H 1 1.53 0.01 . 2 . . . . 15 PRO HG3 . 15951 1 153 . 1 1 15 15 PRO CA C 13 66.86 0.01 . 1 . . . . 15 PRO CA . 15951 1 154 . 1 1 15 15 PRO CB C 13 31.92 0.01 . 1 . . . . 15 PRO CB . 15951 1 155 . 1 1 15 15 PRO CD C 13 51.18 0.01 . 1 . . . . 15 PRO CD . 15951 1 156 . 1 1 15 15 PRO CG C 13 28.78 0.01 . 1 . . . . 15 PRO CG . 15951 1 157 . 1 1 16 16 LEU H H 1 7.11 0.01 . 1 . . . . 16 LEU H . 15951 1 158 . 1 1 16 16 LEU HA H 1 4.18 0.01 . 1 . . . . 16 LEU HA . 15951 1 159 . 1 1 16 16 LEU HB2 H 1 1.70 0.01 . 2 . . . . 16 LEU HB2 . 15951 1 160 . 1 1 16 16 LEU HB3 H 1 1.62 0.01 . 2 . . . . 16 LEU HB3 . 15951 1 161 . 1 1 16 16 LEU HD11 H 1 0.93 0.01 . 2 . . . . 16 LEU MD1 . 15951 1 162 . 1 1 16 16 LEU HD12 H 1 0.93 0.01 . 2 . . . . 16 LEU MD1 . 15951 1 163 . 1 1 16 16 LEU HD13 H 1 0.93 0.01 . 2 . . . . 16 LEU MD1 . 15951 1 164 . 1 1 16 16 LEU HD21 H 1 0.89 0.01 . 2 . . . . 16 LEU MD2 . 15951 1 165 . 1 1 16 16 LEU HD22 H 1 0.89 0.01 . 2 . . . . 16 LEU MD2 . 15951 1 166 . 1 1 16 16 LEU HD23 H 1 0.89 0.01 . 2 . . . . 16 LEU MD2 . 15951 1 167 . 1 1 16 16 LEU CA C 13 58.17 0.01 . 1 . . . . 16 LEU CA . 15951 1 168 . 1 1 16 16 LEU CB C 13 42.76 0.01 . 1 . . . . 16 LEU CB . 15951 1 169 . 1 1 17 17 LEU H H 1 7.70 0.01 . 1 . . . . 17 LEU H . 15951 1 170 . 1 1 17 17 LEU HA H 1 4.03 0.01 . 1 . . . . 17 LEU HA . 15951 1 171 . 1 1 17 17 LEU HB2 H 1 1.77 0.01 . 2 . . . . 17 LEU HB2 . 15951 1 172 . 1 1 17 17 LEU HB3 H 1 1.64 0.01 . 2 . . . . 17 LEU HB3 . 15951 1 173 . 1 1 17 17 LEU HD11 H 1 0.90 0.01 . 2 . . . . 17 LEU MD1 . 15951 1 174 . 1 1 17 17 LEU HD12 H 1 0.90 0.01 . 2 . . . . 17 LEU MD1 . 15951 1 175 . 1 1 17 17 LEU HD13 H 1 0.90 0.01 . 2 . . . . 17 LEU MD1 . 15951 1 176 . 1 1 17 17 LEU HD21 H 1 0.87 0.01 . 2 . . . . 17 LEU MD2 . 15951 1 177 . 1 1 17 17 LEU HD22 H 1 0.87 0.01 . 2 . . . . 17 LEU MD2 . 15951 1 178 . 1 1 17 17 LEU HD23 H 1 0.87 0.01 . 2 . . . . 17 LEU MD2 . 15951 1 179 . 1 1 17 17 LEU CA C 13 59.06 0.01 . 1 . . . . 17 LEU CA . 15951 1 180 . 1 1 18 18 LEU H H 1 7.79 0.01 . 1 . . . . 18 LEU H . 15951 1 181 . 1 1 18 18 LEU HA H 1 4.01 0.01 . 1 . . . . 18 LEU HA . 15951 1 182 . 1 1 18 18 LEU HB2 H 1 1.76 0.01 . 2 . . . . 18 LEU HB2 . 15951 1 183 . 1 1 18 18 LEU HB3 H 1 1.53 0.01 . 2 . . . . 18 LEU HB3 . 15951 1 184 . 1 1 18 18 LEU HD11 H 1 0.89 0.01 . 2 . . . . 18 LEU MD1 . 15951 1 185 . 1 1 18 18 LEU HD12 H 1 0.89 0.01 . 2 . . . . 18 LEU MD1 . 15951 1 186 . 1 1 18 18 LEU HD13 H 1 0.89 0.01 . 2 . . . . 18 LEU MD1 . 15951 1 187 . 1 1 18 18 LEU HD21 H 1 0.83 0.01 . 2 . . . . 18 LEU MD2 . 15951 1 188 . 1 1 18 18 LEU HD22 H 1 0.83 0.01 . 2 . . . . 18 LEU MD2 . 15951 1 189 . 1 1 18 18 LEU HD23 H 1 0.83 0.01 . 2 . . . . 18 LEU MD2 . 15951 1 190 . 1 1 18 18 LEU HG H 1 1.70 0.01 . 1 . . . . 18 LEU HG . 15951 1 191 . 1 1 18 18 LEU CA C 13 58.91 0.01 . 1 . . . . 18 LEU CA . 15951 1 192 . 1 1 18 18 LEU CB C 13 42.50 0.01 . 1 . . . . 18 LEU CB . 15951 1 193 . 1 1 18 18 LEU CG C 13 27.97 0.01 . 1 . . . . 18 LEU CG . 15951 1 194 . 1 1 19 19 LEU H H 1 7.44 0.01 . 1 . . . . 19 LEU H . 15951 1 195 . 1 1 19 19 LEU HA H 1 4.14 0.01 . 1 . . . . 19 LEU HA . 15951 1 196 . 1 1 19 19 LEU HB2 H 1 1.86 0.01 . 2 . . . . 19 LEU HB2 . 15951 1 197 . 1 1 19 19 LEU HB3 H 1 1.78 0.01 . 2 . . . . 19 LEU HB3 . 15951 1 198 . 1 1 19 19 LEU HD11 H 1 0.94 0.01 . 2 . . . . 19 LEU MD1 . 15951 1 199 . 1 1 19 19 LEU HD12 H 1 0.94 0.01 . 2 . . . . 19 LEU MD1 . 15951 1 200 . 1 1 19 19 LEU HD13 H 1 0.94 0.01 . 2 . . . . 19 LEU MD1 . 15951 1 201 . 1 1 19 19 LEU HD21 H 1 0.89 0.01 . 2 . . . . 19 LEU MD2 . 15951 1 202 . 1 1 19 19 LEU HD22 H 1 0.89 0.01 . 2 . . . . 19 LEU MD2 . 15951 1 203 . 1 1 19 19 LEU HD23 H 1 0.89 0.01 . 2 . . . . 19 LEU MD2 . 15951 1 204 . 1 1 19 19 LEU CA C 13 58.86 0.01 . 1 . . . . 19 LEU CA . 15951 1 205 . 1 1 19 19 LEU CB C 13 42.79 0.01 . 1 . . . . 19 LEU CB . 15951 1 206 . 1 1 20 20 LEU H H 1 8.07 0.01 . 1 . . . . 20 LEU H . 15951 1 207 . 1 1 20 20 LEU HA H 1 4.12 0.01 . 1 . . . . 20 LEU HA . 15951 1 208 . 1 1 20 20 LEU HB2 H 1 1.95 0.01 . 2 . . . . 20 LEU HB2 . 15951 1 209 . 1 1 20 20 LEU HB3 H 1 1.54 0.01 . 2 . . . . 20 LEU HB3 . 15951 1 210 . 1 1 20 20 LEU HD11 H 1 0.88 0.01 . 2 . . . . 20 LEU MD1 . 15951 1 211 . 1 1 20 20 LEU HD12 H 1 0.88 0.01 . 2 . . . . 20 LEU MD1 . 15951 1 212 . 1 1 20 20 LEU HD13 H 1 0.88 0.01 . 2 . . . . 20 LEU MD1 . 15951 1 213 . 1 1 20 20 LEU HD21 H 1 0.85 0.01 . 2 . . . . 20 LEU MD2 . 15951 1 214 . 1 1 20 20 LEU HD22 H 1 0.85 0.01 . 2 . . . . 20 LEU MD2 . 15951 1 215 . 1 1 20 20 LEU HD23 H 1 0.85 0.01 . 2 . . . . 20 LEU MD2 . 15951 1 216 . 1 1 20 20 LEU CA C 13 58.59 0.01 . 1 . . . . 20 LEU CA . 15951 1 217 . 1 1 20 20 LEU CB C 13 42.78 0.01 . 1 . . . . 20 LEU CB . 15951 1 218 . 1 1 21 21 LEU H H 1 8.10 0.01 . 1 . . . . 21 LEU H . 15951 1 219 . 1 1 21 21 LEU HA H 1 4.26 0.01 . 1 . . . . 21 LEU HA . 15951 1 220 . 1 1 21 21 LEU HB2 H 1 1.91 0.01 . 2 . . . . 21 LEU HB2 . 15951 1 221 . 1 1 21 21 LEU HB3 H 1 1.56 0.01 . 2 . . . . 21 LEU HB3 . 15951 1 222 . 1 1 21 21 LEU HD11 H 1 0.89 0.01 . 1 . . . . 21 LEU MD1 . 15951 1 223 . 1 1 21 21 LEU HD12 H 1 0.89 0.01 . 1 . . . . 21 LEU MD1 . 15951 1 224 . 1 1 21 21 LEU HD13 H 1 0.89 0.01 . 1 . . . . 21 LEU MD1 . 15951 1 225 . 1 1 21 21 LEU HD21 H 1 0.89 0.01 . 1 . . . . 21 LEU MD2 . 15951 1 226 . 1 1 21 21 LEU HD22 H 1 0.89 0.01 . 1 . . . . 21 LEU MD2 . 15951 1 227 . 1 1 21 21 LEU HD23 H 1 0.89 0.01 . 1 . . . . 21 LEU MD2 . 15951 1 228 . 1 1 21 21 LEU CA C 13 57.16 0.01 . 1 . . . . 21 LEU CA . 15951 1 229 . 1 1 21 21 LEU CB C 13 43.23 0.01 . 1 . . . . 21 LEU CB . 15951 1 230 . 1 1 22 22 ALA H H 1 7.79 0.01 . 1 . . . . 22 ALA H . 15951 1 231 . 1 1 22 22 ALA HA H 1 4.36 0.01 . 1 . . . . 22 ALA HA . 15951 1 232 . 1 1 22 22 ALA HB1 H 1 1.53 0.01 . 1 . . . . 22 ALA MB . 15951 1 233 . 1 1 22 22 ALA HB2 H 1 1.53 0.01 . 1 . . . . 22 ALA MB . 15951 1 234 . 1 1 22 22 ALA HB3 H 1 1.53 0.01 . 1 . . . . 22 ALA MB . 15951 1 235 . 1 1 22 22 ALA CA C 13 53.81 0.01 . 1 . . . . 22 ALA CA . 15951 1 236 . 1 1 22 22 ALA CB C 13 19.99 0.01 . 1 . . . . 22 ALA CB . 15951 1 237 . 1 1 23 23 LEU H H 1 7.62 0.01 . 1 . . . . 23 LEU H . 15951 1 238 . 1 1 23 23 LEU HA H 1 4.61 0.01 . 1 . . . . 23 LEU HA . 15951 1 239 . 1 1 23 23 LEU HB2 H 1 1.86 0.01 . 2 . . . . 23 LEU HB2 . 15951 1 240 . 1 1 23 23 LEU HB3 H 1 1.51 0.01 . 2 . . . . 23 LEU HB3 . 15951 1 241 . 1 1 23 23 LEU HD11 H 1 0.95 0.01 . 2 . . . . 23 LEU MD1 . 15951 1 242 . 1 1 23 23 LEU HD12 H 1 0.95 0.01 . 2 . . . . 23 LEU MD1 . 15951 1 243 . 1 1 23 23 LEU HD13 H 1 0.95 0.01 . 2 . . . . 23 LEU MD1 . 15951 1 244 . 1 1 23 23 LEU HD21 H 1 0.92 0.01 . 2 . . . . 23 LEU MD2 . 15951 1 245 . 1 1 23 23 LEU HD22 H 1 0.92 0.01 . 2 . . . . 23 LEU MD2 . 15951 1 246 . 1 1 23 23 LEU HD23 H 1 0.92 0.01 . 2 . . . . 23 LEU MD2 . 15951 1 247 . 1 1 23 23 LEU HG H 1 1.94 0.01 . 1 . . . . 23 LEU HG . 15951 1 248 . 1 1 23 23 LEU CA C 13 54.62 0.01 . 1 . . . . 23 LEU CA . 15951 1 249 . 1 1 23 23 LEU CB C 13 42.71 0.01 . 1 . . . . 23 LEU CB . 15951 1 250 . 1 1 23 23 LEU CG C 13 27.63 0.01 . 1 . . . . 23 LEU CG . 15951 1 251 . 1 1 24 24 PRO HA H 1 4.71 0.01 . 1 . . . . 24 PRO HA . 15951 1 252 . 1 1 24 24 PRO HB2 H 1 2.38 0.01 . 2 . . . . 24 PRO HB2 . 15951 1 253 . 1 1 24 24 PRO HB3 H 1 1.94 0.01 . 2 . . . . 24 PRO HB3 . 15951 1 254 . 1 1 24 24 PRO HD2 H 1 3.93 0.01 . 2 . . . . 24 PRO HD2 . 15951 1 255 . 1 1 24 24 PRO HD3 H 1 3.59 0.01 . 2 . . . . 24 PRO HD3 . 15951 1 256 . 1 1 24 24 PRO HG2 H 1 2.12 0.01 . 2 . . . . 24 PRO HG2 . 15951 1 257 . 1 1 24 24 PRO HG3 H 1 2.10 0.01 . 2 . . . . 24 PRO HG3 . 15951 1 258 . 1 1 24 24 PRO CB C 13 31.47 0.01 . 1 . . . . 24 PRO CB . 15951 1 259 . 1 1 24 24 PRO CD C 13 51.11 0.01 . 1 . . . . 24 PRO CD . 15951 1 260 . 1 1 25 25 PRO HA H 1 4.36 0.01 . 1 . . . . 25 PRO HA . 15951 1 261 . 1 1 25 25 PRO HB2 H 1 2.31 0.01 . 2 . . . . 25 PRO HB2 . 15951 1 262 . 1 1 25 25 PRO HB3 H 1 1.93 0.01 . 2 . . . . 25 PRO HB3 . 15951 1 263 . 1 1 25 25 PRO HD2 H 1 3.86 0.01 . 2 . . . . 25 PRO HD2 . 15951 1 264 . 1 1 25 25 PRO HD3 H 1 3.65 0.01 . 2 . . . . 25 PRO HD3 . 15951 1 265 . 1 1 25 25 PRO HG2 H 1 2.09 0.01 . 1 . . . . 25 PRO HG2 . 15951 1 266 . 1 1 25 25 PRO HG3 H 1 2.09 0.01 . 1 . . . . 25 PRO HG3 . 15951 1 267 . 1 1 25 25 PRO CA C 13 64.80 0.01 . 1 . . . . 25 PRO CA . 15951 1 268 . 1 1 25 25 PRO CB C 13 32.51 0.01 . 1 . . . . 25 PRO CB . 15951 1 269 . 1 1 25 25 PRO CD C 13 51.19 0.01 . 1 . . . . 25 PRO CD . 15951 1 270 . 1 1 26 26 ARG H H 1 7.83 0.01 . 1 . . . . 26 ARG H . 15951 1 271 . 1 1 26 26 ARG HA H 1 4.26 0.01 . 1 . . . . 26 ARG HA . 15951 1 272 . 1 1 26 26 ARG HB2 H 1 1.83 0.01 . 2 . . . . 26 ARG HB2 . 15951 1 273 . 1 1 26 26 ARG HB3 H 1 1.80 0.01 . 2 . . . . 26 ARG HB3 . 15951 1 274 . 1 1 26 26 ARG HD2 H 1 3.21 0.01 . 1 . . . . 26 ARG HD2 . 15951 1 275 . 1 1 26 26 ARG HD3 H 1 3.21 0.01 . 1 . . . . 26 ARG HD3 . 15951 1 276 . 1 1 26 26 ARG HE H 1 7.15 0.01 . 1 . . . . 26 ARG HE . 15951 1 277 . 1 1 26 26 ARG HG2 H 1 1.67 0.01 . 1 . . . . 26 ARG HG2 . 15951 1 278 . 1 1 26 26 ARG HG3 H 1 1.67 0.01 . 1 . . . . 26 ARG HG3 . 15951 1 279 . 1 1 26 26 ARG CA C 13 57.27 0.01 . 1 . . . . 26 ARG CA . 15951 1 280 . 1 1 26 26 ARG CB C 13 31.63 0.01 . 1 . . . . 26 ARG CB . 15951 1 281 . 1 1 26 26 ARG CD C 13 44.18 0.01 . 1 . . . . 26 ARG CD . 15951 1 282 . 1 1 26 26 ARG CG C 13 27.01 0.01 . 1 . . . . 26 ARG CG . 15951 1 283 . 1 1 27 27 ALA H H 1 8.03 0.01 . 1 . . . . 27 ALA H . 15951 1 284 . 1 1 27 27 ALA HA H 1 4.27 0.01 . 1 . . . . 27 ALA HA . 15951 1 285 . 1 1 27 27 ALA HB1 H 1 1.36 0.01 . 1 . . . . 27 ALA MB . 15951 1 286 . 1 1 27 27 ALA HB2 H 1 1.36 0.01 . 1 . . . . 27 ALA MB . 15951 1 287 . 1 1 27 27 ALA HB3 H 1 1.36 0.01 . 1 . . . . 27 ALA MB . 15951 1 288 . 1 1 27 27 ALA CA C 13 53.88 0.01 . 1 . . . . 27 ALA CA . 15951 1 289 . 1 1 27 27 ALA CB C 13 19.92 0.01 . 1 . . . . 27 ALA CB . 15951 1 290 . 1 1 28 28 TYR H H 1 7.58 0.01 . 1 . . . . 28 TYR H . 15951 1 291 . 1 1 28 28 TYR HA H 1 4.62 0.01 . 1 . . . . 28 TYR HA . 15951 1 292 . 1 1 28 28 TYR HB2 H 1 3.10 0.01 . 2 . . . . 28 TYR HB2 . 15951 1 293 . 1 1 28 28 TYR HB3 H 1 3.00 0.01 . 2 . . . . 28 TYR HB3 . 15951 1 294 . 1 1 28 28 TYR HD1 H 1 7.11 0.01 . 1 . . . . 28 TYR HD1 . 15951 1 295 . 1 1 28 28 TYR HD2 H 1 7.11 0.01 . 1 . . . . 28 TYR HD2 . 15951 1 296 . 1 1 28 28 TYR HE1 H 1 6.84 0.01 . 1 . . . . 28 TYR HE1 . 15951 1 297 . 1 1 28 28 TYR HE2 H 1 6.84 0.01 . 1 . . . . 28 TYR HE2 . 15951 1 298 . 1 1 28 28 TYR CA C 13 58.24 0.01 . 1 . . . . 28 TYR CA . 15951 1 299 . 1 1 28 28 TYR CB C 13 39.91 0.01 . 1 . . . . 28 TYR CB . 15951 1 300 . 1 1 28 28 TYR CD1 C 13 133.78 0.01 . 1 . . . . 28 TYR CD1 . 15951 1 301 . 1 1 28 28 TYR CD2 C 13 133.78 0.01 . 1 . . . . 28 TYR CD2 . 15951 1 302 . 1 1 28 28 TYR CE1 C 13 119.05 0.01 . 1 . . . . 28 TYR CE1 . 15951 1 303 . 1 1 28 28 TYR CE2 C 13 119.05 0.01 . 1 . . . . 28 TYR CE2 . 15951 1 304 . 1 1 29 29 ALA H H 1 7.76 0.01 . 1 . . . . 29 ALA H . 15951 1 305 . 1 1 29 29 ALA HA H 1 4.38 0.01 . 1 . . . . 29 ALA HA . 15951 1 306 . 1 1 29 29 ALA HB1 H 1 1.43 0.01 . 1 . . . . 29 ALA MB . 15951 1 307 . 1 1 29 29 ALA HB2 H 1 1.43 0.01 . 1 . . . . 29 ALA MB . 15951 1 308 . 1 1 29 29 ALA HB3 H 1 1.43 0.01 . 1 . . . . 29 ALA MB . 15951 1 309 . 1 1 29 29 ALA CA C 13 52.59 0.01 . 1 . . . . 29 ALA CA . 15951 1 310 . 1 1 29 29 ALA CB C 13 19.87 0.01 . 1 . . . . 29 ALA CB . 15951 1 stop_ save_