data_16284 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16284 _Entry.Title ; NMR structure of the oxidized yeast TOR1 FATC domain bound to DPC micelles at 318K ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-07 _Entry.Accession_date 2009-05-07 _Entry.Last_release_date 2010-12-02 _Entry.Original_release_date 2010-12-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'NMR structure of the oxidized yeast TOR1 FATC domain bound to DPC micelles at 318K' _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 Sonja Dames . A. . 16284 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' . 16284 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Dames group, Biozentrum, University of Basel' . 16284 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'dpc micelle' . 16284 membrane-mimetic . 16284 protein . 16284 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16284 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 123 16284 '15N chemical shifts' 36 16284 '1H chemical shifts' 234 16284 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-12-02 2009-05-07 original author . 16284 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16295 'reduced yeast TOR1 FATC domain bound to DPC micelles, 298K' 16284 BMRB 6228 'oxidized yeast TOR1 FATC domain in solution, 298K' 16284 PDB 1w1n 'oxidized yeast TOR1 FATC domain in solution, 298K' 16284 PDB 2KIO 'BMRB Entry Tracking System' 16284 PDB 2kit 'reduced yeast TOR1 FATC domain bound to DPC micelles, 298K' 16284 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16284 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20042596 _Citation.Full_citation . _Citation.Title 'Structural basis for the association of the redox-sensitive target of rapamycin FATC domain with membrane-mimetic micelles.' _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 10 _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 7766 _Citation.Page_last 7775 _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 Sonja Dames . A. . 16284 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID dodecylphospholine 16284 1 FATC 16284 1 'lipid-binding motif' 16284 1 micelle 16284 1 redox-state 16284 1 'target of rapamycin' 16284 1 TOR1 16284 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16284 _Assembly.ID 1 _Assembly.Name y1fatc _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 . _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 y1fatc 1 $y1fatc A . yes native no no . . . 16284 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide 1 . 1 y1fatc 1 CYS 23 23 SG . 1 y1fatc 1 CYS 30 30 SG . y1fatc 23 CYS SG . y1fatc 30 CYS SG 16284 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_y1fatc _Entity.Sf_category entity _Entity.Sf_framecode y1fatc _Entity.Entry_ID 16284 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name y1fatc _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 ; NELDVPEQVDKLIQQATSIE RLCQHYIGWCPFW ; _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 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'yeast TOR1 FATC domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3960.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16295 . y1fatc . . . . . 100.00 33 100.00 100.00 3.10e-15 . . . . 16284 1 2 no PDB 1W1N . "The Solution Structure Of The Fatc Domain Of The Protein Kinase Tor1 From Yeast" . . . . . 100.00 33 100.00 100.00 3.10e-15 . . . . 16284 1 3 no PDB 2KIO . "Nmr Structure Of The Oxidized Yeast Tor1 Fatc Domain Bound To Dpc Micelles At 318k" . . . . . 100.00 33 100.00 100.00 3.10e-15 . . . . 16284 1 4 no PDB 2KIT . "The Solution Struture Of The Reduced Yeast Tor1 Fatc Domain Bound To Dpc Micelles At 298k" . . . . . 100.00 33 100.00 100.00 3.10e-15 . . . . 16284 1 5 no DBJ GAA24414 . "K7_Tor1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 2470 100.00 100.00 2.15e-15 . . . . 16284 1 6 no EMBL CAA52849 . "TOR1 [Saccharomyces cerevisiae]" . . . . . 100.00 2470 100.00 100.00 1.96e-15 . . . . 16284 1 7 no EMBL CAA89594 . "TOR1 [Saccharomyces cerevisiae]" . . . . . 100.00 2470 100.00 100.00 2.15e-15 . . . . 16284 1 8 no EMBL CAY80780 . "Tor1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 2470 100.00 100.00 2.20e-15 . . . . 16284 1 9 no GB AAB39292 . "ORF YJR066w [Saccharomyces cerevisiae]" . . . . . 100.00 2470 100.00 100.00 2.15e-15 . . . . 16284 1 10 no GB AAB66881 . "mutant drr1-1 protein [Saccharomyces cerevisiae]" . . . . . 100.00 2470 100.00 100.00 2.15e-15 . . . . 16284 1 11 no GB AHY79052 . "Tor1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 2470 100.00 100.00 2.15e-15 . . . . 16284 1 12 no GB AJP39753 . "Tor1p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 2470 100.00 100.00 2.09e-15 . . . . 16284 1 13 no GB AJR54018 . "Tor1p [Saccharomyces cerevisiae YJM681]" . . . . . 100.00 2470 100.00 100.00 1.98e-15 . . . . 16284 1 14 no PRF 2010264A . "TOR1(DRR1) gene" . . . . . 100.00 2470 100.00 100.00 2.15e-15 . . . . 16284 1 15 no REF NP_012600 . "phosphatidylinositol kinase-related protein kinase TOR1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 2470 100.00 100.00 2.15e-15 . . . . 16284 1 16 no SP P35169 . "RecName: Full=Serine/threonine-protein kinase TOR1; AltName: Full=Dominant rapamycin resistance protein 1; AltName: Full=Phosph" . . . . . 100.00 2470 100.00 100.00 2.15e-15 . . . . 16284 1 17 no TPG DAA08853 . "TPA: phosphatidylinositol kinase-related protein kinase TOR1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 2470 100.00 100.00 2.15e-15 . . . . 16284 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'regulation of cellular growth' 16284 1 'ser/thr kinase' 16284 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 . ASN . 16284 1 2 . GLU . 16284 1 3 . LEU . 16284 1 4 . ASP . 16284 1 5 . VAL . 16284 1 6 . PRO . 16284 1 7 . GLU . 16284 1 8 . GLN . 16284 1 9 . VAL . 16284 1 10 . ASP . 16284 1 11 . LYS . 16284 1 12 . LEU . 16284 1 13 . ILE . 16284 1 14 . GLN . 16284 1 15 . GLN . 16284 1 16 . ALA . 16284 1 17 . THR . 16284 1 18 . SER . 16284 1 19 . ILE . 16284 1 20 . GLU . 16284 1 21 . ARG . 16284 1 22 . LEU . 16284 1 23 . CYS . 16284 1 24 . GLN . 16284 1 25 . HIS . 16284 1 26 . TYR . 16284 1 27 . ILE . 16284 1 28 . GLY . 16284 1 29 . TRP . 16284 1 30 . CYS . 16284 1 31 . PRO . 16284 1 32 . PHE . 16284 1 33 . TRP . 16284 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 . ASN 1 1 16284 1 . GLU 2 2 16284 1 . LEU 3 3 16284 1 . ASP 4 4 16284 1 . VAL 5 5 16284 1 . PRO 6 6 16284 1 . GLU 7 7 16284 1 . GLN 8 8 16284 1 . VAL 9 9 16284 1 . ASP 10 10 16284 1 . LYS 11 11 16284 1 . LEU 12 12 16284 1 . ILE 13 13 16284 1 . GLN 14 14 16284 1 . GLN 15 15 16284 1 . ALA 16 16 16284 1 . THR 17 17 16284 1 . SER 18 18 16284 1 . ILE 19 19 16284 1 . GLU 20 20 16284 1 . ARG 21 21 16284 1 . LEU 22 22 16284 1 . CYS 23 23 16284 1 . GLN 24 24 16284 1 . HIS 25 25 16284 1 . TYR 26 26 16284 1 . ILE 27 27 16284 1 . GLY 28 28 16284 1 . TRP 29 29 16284 1 . CYS 30 30 16284 1 . PRO 31 31 16284 1 . PHE 32 32 16284 1 . TRP 33 33 16284 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 16284 _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 $y1fatc . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . tor1 . . . . 16284 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 16284 _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 $y1fatc . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 'Rosetta (DE3)' . . . . . . . . . . . . . . pGEV2 . . . ; pGEV2 ref.: JR Huth et al., Protein Sci. 6:2359-2364, 1997 ; . . 16284 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16284 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 y1fatc '[U-13C; U-15N]' . . 1 $y1fatc . . 0.40-0.46 . . mM . . . . 16284 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16284 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16284 1 4 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 16284 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16284 1 6 'dodecylphophocholine (DPC)' 'natural abundance' . . . . . . 190-220 . . mM . . . . 16284 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16284 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 y1fatc '[U-13C; U-15N]' . . 1 $y1fatc . . 0.40 . . mM . . . . 16284 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16284 2 3 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 16284 2 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16284 2 5 'dodecylphophocholine (DPC)' 'natural abundance' . . . . . . 190-220 . . mM . . . . 16284 2 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 16284 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50 mM Tris, 100 mM NaCl, 190-220 mM dodecylphophocholine (DPC)' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 16284 1 pH 6.5 . pH 16284 1 pressure 1 . atm 16284 1 temperature 318 . K 16284 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16284 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.16.0 _Software.Details 'for Mac OSX' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16284 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16284 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16284 _Software.ID 2 _Software.Name NMRView _Software.Version 5.2.2_01 _Software.Details 'Mac OSX' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16284 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16284 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16284 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details 'Mac OSX' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16284 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16284 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16284 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details 'Mac OSX' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16284 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16284 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16284 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details 'Mac OSX' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16284 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure analysis' 16284 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16284 _Software.ID 6 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16284 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure visualization' 16284 6 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16284 _Software.ID 7 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16284 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16284 7 stop_ save_ save_TENSOR2 _Software.Sf_category software _Software.Sf_framecode TENSOR2 _Software.Entry_ID 16284 _Software.ID 8 _Software.Name Tensor2 _Software.Version 2 _Software.Details 'Mac OSX' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P. Dosset, D. Marion, M. Blackledge' 'Institut de Biologie Structurale J.P. EBEL CEA-CNRS, Grenoble, France' http://www.ibs.fr/ext/labos/LRMN/softs/tensor/TENSORV2_DOC/theory.html 16284 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'analysis of 15N relaxation data' 16284 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_drx600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode drx600 _NMR_spectrometer.Entry_ID 16284 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_drx800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode drx800 _NMR_spectrometer.Entry_ID 16284 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 16284 _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 drx600 Bruker DRX . 600 . . . 16284 1 2 drx800 Bruker DRX . 800 . . . 16284 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 16284 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $drx600 . . . . . . . . . . . . . . . . 16284 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $drx600 . . . . . . . . . . . . . . . . 16284 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $drx800 . . . . . . . . . . . . . . . . 16284 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $drx800 . . . . . . . . . . . . . . . . 16284 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $drx600 . . . . . . . . . . . . . . . . 16284 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $drx800 . . . . . . . . . . . . . . . . 16284 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $drx800 . . . . . . . . . . . . . . . . 16284 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $drx800 . . . . . . . . . . . . . . . . 16284 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $drx800 . . . . . . . . . . . . . . . . 16284 1 10 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $drx600 . . . . . . . . . . . . . . . . 16284 1 11 '13C'-{13Cg} SED 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $drx600 . . . . . . . . . . . . . . . . 16284 1 12 '15N-{13Cg} SED 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $drx600 . . . . . . . . . . . . . . . . 16284 1 13 '{15N} SED 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $drx600 . . . . . . . . . . . . . . . . 16284 1 14 '{13C'} SED 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $drx600 . . . . . . . . . . . . . . . . 16284 1 15 '15N T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $drx600 . . . . . . . . . . . . . . . . 16284 1 16 '15N T2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $drx600 . . . . . . . . . . . . . . . . 16284 1 17 {1H}-15N-NOE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $drx600 . . . . . . . . . . . . . . . . 16284 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 16284 _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 water protons . . . . ppm 4.582 internal indirect 0.251449530 . . . . . . . . . 16284 1 H 1 water protons . . . . ppm 4.582 internal direct 1 . . . . . . . . . 16284 1 N 15 water protons . . . . ppm 4.582 internal indirect 0.101329118 . . . . . . . . . 16284 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_assignments_y1fatc_dpc318 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_y1fatc_dpc318 _Assigned_chem_shift_list.Entry_ID 16284 _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 . _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 '2D 1H-15N HSQC' . . . 16284 1 2 '2D 1H-13C HSQC' . . . 16284 1 5 '3D HNCA' . . . 16284 1 6 '3D HCCH-TOCSY' . . . 16284 1 7 '3D 1H-15N NOESY' . . . 16284 1 8 '3D 1H-13C NOESY' . . . 16284 1 9 '3D 1H-13C NOESY' . . . 16284 1 10 '3D HNHB' . . . 16284 1 11 '13C'-{13Cg} SED 1H-15N HSQC' . . . 16284 1 12 '15N-{13Cg} SED 1H-15N HSQC' . . . 16284 1 13 '{15N} SED 1H-13C HSQC' . . . 16284 1 14 '{13C'} SED 1H-13C HSQC' . . . 16284 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRView . . 16284 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 ASN HA H 1 4.218 0.02 . 1 . . . . 1 ASN HA . 16284 1 2 . 1 1 1 1 ASN HB2 H 1 2.925 0.02 . 2 . . . . 1 ASN HB1 . 16284 1 3 . 1 1 1 1 ASN HB3 H 1 2.863 0.02 . 2 . . . . 1 ASN HB2 . 16284 1 4 . 1 1 1 1 ASN HD21 H 1 7.708 0.02 . 2 . . . . 1 ASN HD21 . 16284 1 5 . 1 1 1 1 ASN HD22 H 1 6.908 0.02 . 2 . . . . 1 ASN HD22 . 16284 1 6 . 1 1 1 1 ASN CA C 13 53.215 0.1 . 1 . . . . 1 ASN CA . 16284 1 7 . 1 1 1 1 ASN CB C 13 38.858 0.1 . 1 . . . . 1 ASN CB . 16284 1 8 . 1 1 1 1 ASN ND2 N 15 112.651 0.1 . 1 . . . . 1 ASN ND2 . 16284 1 9 . 1 1 2 2 GLU HA H 1 4.307 0.02 . 1 . . . . 2 GLU HA . 16284 1 10 . 1 1 2 2 GLU HB2 H 1 2.065 0.02 . 2 . . . . 2 GLU HB1 . 16284 1 11 . 1 1 2 2 GLU HB3 H 1 1.922 0.02 . 2 . . . . 2 GLU HB2 . 16284 1 12 . 1 1 2 2 GLU HG2 H 1 2.261 0.02 . 2 . . . . 2 GLU HG1 . 16284 1 13 . 1 1 2 2 GLU CA C 13 57.017 0.1 . 1 . . . . 2 GLU CA . 16284 1 14 . 1 1 2 2 GLU CB C 13 30.250 0.1 . 1 . . . . 2 GLU CB . 16284 1 15 . 1 1 2 2 GLU CG C 13 36.259 0.1 . 1 . . . . 2 GLU CG . 16284 1 16 . 1 1 3 3 LEU H H 1 8.219 0.02 . 1 . . . . 3 LEU HN . 16284 1 17 . 1 1 3 3 LEU HA H 1 4.319 0.02 . 1 . . . . 3 LEU HA . 16284 1 18 . 1 1 3 3 LEU HB2 H 1 1.611 0.02 . 2 . . . . 3 LEU HB1 . 16284 1 19 . 1 1 3 3 LEU HB3 H 1 1.567 0.02 . 2 . . . . 3 LEU HB2 . 16284 1 20 . 1 1 3 3 LEU HD11 H 1 0.851 0.02 . 2 . . . . 3 LEU HD11 . 16284 1 21 . 1 1 3 3 LEU HD12 H 1 0.851 0.02 . 2 . . . . 3 LEU HD11 . 16284 1 22 . 1 1 3 3 LEU HD13 H 1 0.851 0.02 . 2 . . . . 3 LEU HD11 . 16284 1 23 . 1 1 3 3 LEU HD21 H 1 0.882 0.02 . 2 . . . . 3 LEU HD21 . 16284 1 24 . 1 1 3 3 LEU HD22 H 1 0.882 0.02 . 2 . . . . 3 LEU HD21 . 16284 1 25 . 1 1 3 3 LEU HD23 H 1 0.882 0.02 . 2 . . . . 3 LEU HD21 . 16284 1 26 . 1 1 3 3 LEU HG H 1 1.593 0.02 . 1 . . . . 3 LEU HG . 16284 1 27 . 1 1 3 3 LEU CA C 13 55.045 0.1 . 1 . . . . 3 LEU CA . 16284 1 28 . 1 1 3 3 LEU CB C 13 42.732 0.1 . 1 . . . . 3 LEU CB . 16284 1 29 . 1 1 3 3 LEU CD1 C 13 23.995 0.1 . 2 . . . . 3 LEU CD1 . 16284 1 30 . 1 1 3 3 LEU CD2 C 13 25.202 0.1 . 2 . . . . 3 LEU CD2 . 16284 1 31 . 1 1 3 3 LEU CG C 13 27.149 0.1 . 1 . . . . 3 LEU CG . 16284 1 32 . 1 1 3 3 LEU N N 15 121.828 0.1 . 1 . . . . 3 LEU N . 16284 1 33 . 1 1 4 4 ASP H H 1 8.204 0.02 . 1 . . . . 4 ASP HN . 16284 1 34 . 1 1 4 4 ASP HA H 1 4.654 0.02 . 1 . . . . 4 ASP HA . 16284 1 35 . 1 1 4 4 ASP HB2 H 1 2.556 0.02 . 1 . . . . 4 ASP HB1 . 16284 1 36 . 1 1 4 4 ASP HB3 H 1 2.732 0.02 . 1 . . . . 4 ASP HB2 . 16284 1 37 . 1 1 4 4 ASP CA C 13 53.893 0.1 . 1 . . . . 4 ASP CA . 16284 1 38 . 1 1 4 4 ASP CB C 13 41.340 0.1 . 1 . . . . 4 ASP CB . 16284 1 39 . 1 1 4 4 ASP N N 15 122.456 0.1 . 1 . . . . 4 ASP N . 16284 1 40 . 1 1 5 5 VAL H H 1 8.174 0.02 . 1 . . . . 5 VAL HN . 16284 1 41 . 1 1 5 5 VAL HA H 1 4.187 0.02 . 1 . . . . 5 VAL HA . 16284 1 42 . 1 1 5 5 VAL HB H 1 2.107 0.02 . 1 . . . . 5 VAL HB . 16284 1 43 . 1 1 5 5 VAL HG11 H 1 0.954 0.02 . 2 . . . . 5 VAL HG11 . 16284 1 44 . 1 1 5 5 VAL HG12 H 1 0.954 0.02 . 2 . . . . 5 VAL HG11 . 16284 1 45 . 1 1 5 5 VAL HG13 H 1 0.954 0.02 . 2 . . . . 5 VAL HG11 . 16284 1 46 . 1 1 5 5 VAL HG21 H 1 0.929 0.02 . 2 . . . . 5 VAL HG21 . 16284 1 47 . 1 1 5 5 VAL HG22 H 1 0.929 0.02 . 2 . . . . 5 VAL HG21 . 16284 1 48 . 1 1 5 5 VAL HG23 H 1 0.929 0.02 . 2 . . . . 5 VAL HG21 . 16284 1 49 . 1 1 5 5 VAL CA C 13 61.900 0.1 . 1 . . . . 5 VAL CA . 16284 1 50 . 1 1 5 5 VAL CB C 13 31.966 0.1 . 1 . . . . 5 VAL CB . 16284 1 51 . 1 1 5 5 VAL CG1 C 13 21.400 0.1 . 2 . . . . 5 VAL CG1 . 16284 1 52 . 1 1 5 5 VAL CG2 C 13 21.600 0.1 . 2 . . . . 5 VAL CG2 . 16284 1 53 . 1 1 5 5 VAL N N 15 120.681 0.1 . 1 . . . . 5 VAL N . 16284 1 54 . 1 1 6 6 PRO HA H 1 4.357 0.02 . 1 . . . . 6 PRO HA . 16284 1 55 . 1 1 6 6 PRO HB2 H 1 2.412 0.02 . 2 . . . . 6 PRO HB1 . 16284 1 56 . 1 1 6 6 PRO HB3 H 1 1.905 0.02 . 2 . . . . 6 PRO HB2 . 16284 1 57 . 1 1 6 6 PRO HD2 H 1 3.873 0.02 . 2 . . . . 6 PRO HD1 . 16284 1 58 . 1 1 6 6 PRO HD3 H 1 3.633 0.02 . 2 . . . . 6 PRO HD2 . 16284 1 59 . 1 1 6 6 PRO HG2 H 1 2.046 0.02 . 2 . . . . 6 PRO HG1 . 16284 1 60 . 1 1 6 6 PRO HG3 H 1 1.990 0.02 . 2 . . . . 6 PRO HG2 . 16284 1 61 . 1 1 6 6 PRO CA C 13 64.196 0.1 . 1 . . . . 6 PRO CA . 16284 1 62 . 1 1 6 6 PRO CB C 13 31.955 0.1 . 1 . . . . 6 PRO CB . 16284 1 63 . 1 1 6 6 PRO CD C 13 50.564 0.1 . 1 . . . . 6 PRO CD . 16284 1 64 . 1 1 6 6 PRO CG C 13 27.965 0.1 . 1 . . . . 6 PRO CG . 16284 1 65 . 1 1 7 7 GLU H H 1 8.452 0.02 . 1 . . . . 7 GLU HN . 16284 1 66 . 1 1 7 7 GLU HA H 1 4.139 0.02 . 1 . . . . 7 GLU HA . 16284 1 67 . 1 1 7 7 GLU HB2 H 1 2.051 0.02 . 2 . . . . 7 GLU HB1 . 16284 1 68 . 1 1 7 7 GLU HG2 H 1 2.327 0.02 . 2 . . . . 7 GLU HG1 . 16284 1 69 . 1 1 7 7 GLU HG3 H 1 2.239 0.02 . 2 . . . . 7 GLU HG2 . 16284 1 70 . 1 1 7 7 GLU CA C 13 58.575 0.1 . 1 . . . . 7 GLU CA . 16284 1 71 . 1 1 7 7 GLU CB C 13 29.976 0.1 . 1 . . . . 7 GLU CB . 16284 1 72 . 1 1 7 7 GLU CG C 13 36.388 0.1 . 1 . . . . 7 GLU CG . 16284 1 73 . 1 1 7 7 GLU N N 15 121.191 0.1 . 1 . . . . 7 GLU N . 16284 1 74 . 1 1 8 8 GLN H H 1 8.519 0.02 . 1 . . . . 8 GLN HN . 16284 1 75 . 1 1 8 8 GLN HA H 1 4.175 0.02 . 1 . . . . 8 GLN HA . 16284 1 76 . 1 1 8 8 GLN HB2 H 1 2.101 0.02 . 2 . . . . 8 GLN HB1 . 16284 1 77 . 1 1 8 8 GLN HB3 H 1 2.043 0.02 . 2 . . . . 8 GLN HB2 . 16284 1 78 . 1 1 8 8 GLN HE21 H 1 7.500 0.02 . 2 . . . . 8 GLN HE21 . 16284 1 79 . 1 1 8 8 GLN HE22 H 1 6.810 0.02 . 2 . . . . 8 GLN HE22 . 16284 1 80 . 1 1 8 8 GLN HG2 H 1 2.487 0.02 . 2 . . . . 8 GLN HG1 . 16284 1 81 . 1 1 8 8 GLN HG3 H 1 2.422 0.02 . 2 . . . . 8 GLN HG2 . 16284 1 82 . 1 1 8 8 GLN CA C 13 57.816 0.1 . 1 . . . . 8 GLN CA . 16284 1 83 . 1 1 8 8 GLN CB C 13 28.805 0.1 . 1 . . . . 8 GLN CB . 16284 1 84 . 1 1 8 8 GLN CG C 13 34.033 0.1 . 1 . . . . 8 GLN CG . 16284 1 85 . 1 1 8 8 GLN N N 15 118.505 0.1 . 1 . . . . 8 GLN N . 16284 1 86 . 1 1 8 8 GLN NE2 N 15 111.587 0.1 . 1 . . . . 8 GLN NE2 . 16284 1 87 . 1 1 9 9 VAL H H 1 7.956 0.02 . 1 . . . . 9 VAL HN . 16284 1 88 . 1 1 9 9 VAL HA H 1 3.752 0.02 . 1 . . . . 9 VAL HA . 16284 1 89 . 1 1 9 9 VAL HB H 1 2.146 0.02 . 1 . . . . 9 VAL HB . 16284 1 90 . 1 1 9 9 VAL HG11 H 1 0.920 0.02 . 2 . . . . 9 VAL HG11 . 16284 1 91 . 1 1 9 9 VAL HG12 H 1 0.920 0.02 . 2 . . . . 9 VAL HG11 . 16284 1 92 . 1 1 9 9 VAL HG13 H 1 0.920 0.02 . 2 . . . . 9 VAL HG11 . 16284 1 93 . 1 1 9 9 VAL HG21 H 1 0.961 0.02 . 2 . . . . 9 VAL HG21 . 16284 1 94 . 1 1 9 9 VAL HG22 H 1 0.961 0.02 . 2 . . . . 9 VAL HG21 . 16284 1 95 . 1 1 9 9 VAL HG23 H 1 0.961 0.02 . 2 . . . . 9 VAL HG21 . 16284 1 96 . 1 1 9 9 VAL CA C 13 65.207 0.1 . 1 . . . . 9 VAL CA . 16284 1 97 . 1 1 9 9 VAL CB C 13 31.851 0.1 . 1 . . . . 9 VAL CB . 16284 1 98 . 1 1 9 9 VAL CG1 C 13 21.600 0.1 . 2 . . . . 9 VAL CG1 . 16284 1 99 . 1 1 9 9 VAL CG2 C 13 22.443 0.1 . 2 . . . . 9 VAL CG2 . 16284 1 100 . 1 1 9 9 VAL N N 15 118.861 0.1 . 1 . . . . 9 VAL N . 16284 1 101 . 1 1 10 10 ASP H H 1 8.068 0.02 . 1 . . . . 10 ASP HN . 16284 1 102 . 1 1 10 10 ASP HA H 1 4.371 0.02 . 1 . . . . 10 ASP HA . 16284 1 103 . 1 1 10 10 ASP HB2 H 1 2.676 0.02 . 2 . . . . 10 ASP HB1 . 16284 1 104 . 1 1 10 10 ASP CA C 13 56.822 0.1 . 1 . . . . 10 ASP CA . 16284 1 105 . 1 1 10 10 ASP CB C 13 41.226 0.1 . 1 . . . . 10 ASP CB . 16284 1 106 . 1 1 10 10 ASP N N 15 120.849 0.1 . 1 . . . . 10 ASP N . 16284 1 107 . 1 1 11 11 LYS H H 1 7.864 0.02 . 1 . . . . 11 LYS HN . 16284 1 108 . 1 1 11 11 LYS HA H 1 4.040 0.02 . 1 . . . . 11 LYS HA . 16284 1 109 . 1 1 11 11 LYS HB2 H 1 1.851 0.02 . 2 . . . . 11 LYS HB1 . 16284 1 110 . 1 1 11 11 LYS HD2 H 1 1.662 0.02 . 2 . . . . 11 LYS HD1 . 16284 1 111 . 1 1 11 11 LYS HE2 H 1 2.960 0.02 . 2 . . . . 11 LYS HE1 . 16284 1 112 . 1 1 11 11 LYS HG2 H 1 1.552 0.02 . 2 . . . . 11 LYS HG1 . 16284 1 113 . 1 1 11 11 LYS HG3 H 1 1.437 0.02 . 2 . . . . 11 LYS HG2 . 16284 1 114 . 1 1 11 11 LYS CA C 13 58.505 0.1 . 1 . . . . 11 LYS CA . 16284 1 115 . 1 1 11 11 LYS CB C 13 32.500 0.1 . 1 . . . . 11 LYS CB . 16284 1 116 . 1 1 11 11 LYS CD C 13 29.047 0.1 . 1 . . . . 11 LYS CD . 16284 1 117 . 1 1 11 11 LYS CE C 13 42.220 0.1 . 1 . . . . 11 LYS CE . 16284 1 118 . 1 1 11 11 LYS CG C 13 25.181 0.1 . 1 . . . . 11 LYS CG . 16284 1 119 . 1 1 11 11 LYS N N 15 118.293 0.1 . 1 . . . . 11 LYS N . 16284 1 120 . 1 1 12 12 LEU H H 1 7.762 0.02 . 1 . . . . 12 LEU HN . 16284 1 121 . 1 1 12 12 LEU HA H 1 4.146 0.02 . 1 . . . . 12 LEU HA . 16284 1 122 . 1 1 12 12 LEU HB2 H 1 1.634 0.02 . 1 . . . . 12 LEU HB1 . 16284 1 123 . 1 1 12 12 LEU HB3 H 1 1.835 0.02 . 1 . . . . 12 LEU HB2 . 16284 1 124 . 1 1 12 12 LEU HD11 H 1 0.862 0.02 . 2 . . . . 12 LEU HD11 . 16284 1 125 . 1 1 12 12 LEU HD12 H 1 0.862 0.02 . 2 . . . . 12 LEU HD11 . 16284 1 126 . 1 1 12 12 LEU HD13 H 1 0.862 0.02 . 2 . . . . 12 LEU HD11 . 16284 1 127 . 1 1 12 12 LEU HD21 H 1 0.903 0.02 . 2 . . . . 12 LEU HD21 . 16284 1 128 . 1 1 12 12 LEU HD22 H 1 0.903 0.02 . 2 . . . . 12 LEU HD21 . 16284 1 129 . 1 1 12 12 LEU HD23 H 1 0.903 0.02 . 2 . . . . 12 LEU HD21 . 16284 1 130 . 1 1 12 12 LEU HG H 1 1.734 0.02 . 1 . . . . 12 LEU HG . 16284 1 131 . 1 1 12 12 LEU CA C 13 57.449 0.1 . 1 . . . . 12 LEU CA . 16284 1 132 . 1 1 12 12 LEU CB C 13 42.122 0.1 . 1 . . . . 12 LEU CB . 16284 1 133 . 1 1 12 12 LEU CD1 C 13 24.072 0.1 . 2 . . . . 12 LEU CD1 . 16284 1 134 . 1 1 12 12 LEU CD2 C 13 25.112 0.1 . 2 . . . . 12 LEU CD2 . 16284 1 135 . 1 1 12 12 LEU CG C 13 27.066 0.1 . 1 . . . . 12 LEU CG . 16284 1 136 . 1 1 12 12 LEU N N 15 120.247 0.1 . 1 . . . . 12 LEU N . 16284 1 137 . 1 1 13 13 ILE H H 1 8.004 0.02 . 1 . . . . 13 ILE HN . 16284 1 138 . 1 1 13 13 ILE HA H 1 3.781 0.02 . 1 . . . . 13 ILE HA . 16284 1 139 . 1 1 13 13 ILE HB H 1 1.995 0.02 . 1 . . . . 13 ILE HB . 16284 1 140 . 1 1 13 13 ILE HD11 H 1 0.828 0.02 . 1 . . . . 13 ILE HD11 . 16284 1 141 . 1 1 13 13 ILE HD12 H 1 0.828 0.02 . 1 . . . . 13 ILE HD11 . 16284 1 142 . 1 1 13 13 ILE HD13 H 1 0.828 0.02 . 1 . . . . 13 ILE HD11 . 16284 1 143 . 1 1 13 13 ILE HG12 H 1 1.654 0.02 . 2 . . . . 13 ILE HG11 . 16284 1 144 . 1 1 13 13 ILE HG13 H 1 1.149 0.02 . 2 . . . . 13 ILE HG12 . 16284 1 145 . 1 1 13 13 ILE HG21 H 1 0.884 0.02 . 1 . . . . 13 ILE HG21 . 16284 1 146 . 1 1 13 13 ILE HG22 H 1 0.884 0.02 . 1 . . . . 13 ILE HG21 . 16284 1 147 . 1 1 13 13 ILE HG23 H 1 0.884 0.02 . 1 . . . . 13 ILE HG21 . 16284 1 148 . 1 1 13 13 ILE CA C 13 63.988 0.1 . 1 . . . . 13 ILE CA . 16284 1 149 . 1 1 13 13 ILE CB C 13 37.884 0.1 . 1 . . . . 13 ILE CB . 16284 1 150 . 1 1 13 13 ILE CD1 C 13 13.320 0.1 . 1 . . . . 13 ILE CD1 . 16284 1 151 . 1 1 13 13 ILE CG1 C 13 28.684 0.1 . 1 . . . . 13 ILE CG1 . 16284 1 152 . 1 1 13 13 ILE CG2 C 13 17.694 0.1 . 1 . . . . 13 ILE CG2 . 16284 1 153 . 1 1 13 13 ILE N N 15 118.217 0.1 . 1 . . . . 13 ILE N . 16284 1 154 . 1 1 14 14 GLN H H 1 8.023 0.02 . 1 . . . . 14 GLN HN . 16284 1 155 . 1 1 14 14 GLN HA H 1 4.125 0.02 . 1 . . . . 14 GLN HA . 16284 1 156 . 1 1 14 14 GLN HB2 H 1 2.171 0.02 . 1 . . . . 14 GLN HB1 . 16284 1 157 . 1 1 14 14 GLN HB3 H 1 2.090 0.02 . 1 . . . . 14 GLN HB2 . 16284 1 158 . 1 1 14 14 GLN HE21 H 1 7.488 0.02 . 2 . . . . 14 GLN HE21 . 16284 1 159 . 1 1 14 14 GLN HE22 H 1 6.743 0.02 . 2 . . . . 14 GLN HE22 . 16284 1 160 . 1 1 14 14 GLN HG2 H 1 2.489 0.02 . 2 . . . . 14 GLN HG1 . 16284 1 161 . 1 1 14 14 GLN HG3 H 1 2.428 0.02 . 2 . . . . 14 GLN HG2 . 16284 1 162 . 1 1 14 14 GLN CA C 13 57.782 0.1 . 1 . . . . 14 GLN CA . 16284 1 163 . 1 1 14 14 GLN CB C 13 28.805 0.1 . 1 . . . . 14 GLN CB . 16284 1 164 . 1 1 14 14 GLN CG C 13 34.000 0.1 . 1 . . . . 14 GLN CG . 16284 1 165 . 1 1 14 14 GLN N N 15 119.218 0.1 . 1 . . . . 14 GLN N . 16284 1 166 . 1 1 14 14 GLN NE2 N 15 112.366 0.1 . 1 . . . . 14 GLN NE2 . 16284 1 167 . 1 1 15 15 GLN H H 1 7.890 0.02 . 1 . . . . 15 GLN HN . 16284 1 168 . 1 1 15 15 GLN HA H 1 4.320 0.02 . 1 . . . . 15 GLN HA . 16284 1 169 . 1 1 15 15 GLN HB2 H 1 2.211 0.02 . 1 . . . . 15 GLN HB1 . 16284 1 170 . 1 1 15 15 GLN HB3 H 1 2.088 0.02 . 1 . . . . 15 GLN HB2 . 16284 1 171 . 1 1 15 15 GLN HE21 H 1 7.321 0.02 . 2 . . . . 15 GLN HE21 . 16284 1 172 . 1 1 15 15 GLN HE22 H 1 6.723 0.02 . 2 . . . . 15 GLN HE22 . 16284 1 173 . 1 1 15 15 GLN HG2 H 1 2.422 0.02 . 2 . . . . 15 GLN HG1 . 16284 1 174 . 1 1 15 15 GLN CA C 13 56.357 0.1 . 1 . . . . 15 GLN CA . 16284 1 175 . 1 1 15 15 GLN CB C 13 29.113 0.1 . 1 . . . . 15 GLN CB . 16284 1 176 . 1 1 15 15 GLN CG C 13 34.050 0.1 . 1 . . . . 15 GLN CG . 16284 1 177 . 1 1 15 15 GLN N N 15 117.615 0.1 . 1 . . . . 15 GLN N . 16284 1 178 . 1 1 15 15 GLN NE2 N 15 110.848 0.1 . 1 . . . . 15 GLN NE2 . 16284 1 179 . 1 1 16 16 ALA H H 1 8.008 0.02 . 1 . . . . 16 ALA HN . 16284 1 180 . 1 1 16 16 ALA HA H 1 4.256 0.02 . 1 . . . . 16 ALA HA . 16284 1 181 . 1 1 16 16 ALA HB1 H 1 1.460 0.02 . 1 . . . . 16 ALA HB1 . 16284 1 182 . 1 1 16 16 ALA HB2 H 1 1.460 0.02 . 1 . . . . 16 ALA HB1 . 16284 1 183 . 1 1 16 16 ALA HB3 H 1 1.460 0.02 . 1 . . . . 16 ALA HB1 . 16284 1 184 . 1 1 16 16 ALA CA C 13 53.554 0.1 . 1 . . . . 16 ALA CA . 16284 1 185 . 1 1 16 16 ALA CB C 13 18.916 0.1 . 1 . . . . 16 ALA CB . 16284 1 186 . 1 1 16 16 ALA N N 15 123.069 0.1 . 1 . . . . 16 ALA N . 16284 1 187 . 1 1 17 17 THR H H 1 7.992 0.02 . 1 . . . . 17 THR HN . 16284 1 188 . 1 1 17 17 THR HA H 1 4.180 0.02 . 1 . . . . 17 THR HA . 16284 1 189 . 1 1 17 17 THR HB H 1 4.299 0.02 . 1 . . . . 17 THR HB . 16284 1 190 . 1 1 17 17 THR HG21 H 1 1.266 0.02 . 1 . . . . 17 THR HG21 . 16284 1 191 . 1 1 17 17 THR HG22 H 1 1.266 0.02 . 1 . . . . 17 THR HG21 . 16284 1 192 . 1 1 17 17 THR HG23 H 1 1.266 0.02 . 1 . . . . 17 THR HG21 . 16284 1 193 . 1 1 17 17 THR CA C 13 63.698 0.1 . 1 . . . . 17 THR CA . 16284 1 194 . 1 1 17 17 THR CB C 13 69.271 0.1 . 1 . . . . 17 THR CB . 16284 1 195 . 1 1 17 17 THR CG2 C 13 21.900 0.1 . 1 . . . . 17 THR CG2 . 16284 1 196 . 1 1 17 17 THR N N 15 111.819 0.1 . 1 . . . . 17 THR N . 16284 1 197 . 1 1 18 18 SER H H 1 8.060 0.02 . 1 . . . . 18 SER HN . 16284 1 198 . 1 1 18 18 SER HA H 1 4.471 0.02 . 1 . . . . 18 SER HA . 16284 1 199 . 1 1 18 18 SER HB2 H 1 3.907 0.02 . 1 . . . . 18 SER HB1 . 16284 1 200 . 1 1 18 18 SER HB3 H 1 4.064 0.02 . 1 . . . . 18 SER HB2 . 16284 1 201 . 1 1 18 18 SER CA C 13 59.368 0.1 . 1 . . . . 18 SER CA . 16284 1 202 . 1 1 18 18 SER CB C 13 63.694 0.1 . 1 . . . . 18 SER CB . 16284 1 203 . 1 1 18 18 SER N N 15 116.820 0.1 . 1 . . . . 18 SER N . 16284 1 204 . 1 1 19 19 ILE H H 1 8.348 0.02 . 1 . . . . 19 ILE HN . 16284 1 205 . 1 1 19 19 ILE HA H 1 3.797 0.02 . 1 . . . . 19 ILE HA . 16284 1 206 . 1 1 19 19 ILE HB H 1 2.051 0.02 . 1 . . . . 19 ILE HB . 16284 1 207 . 1 1 19 19 ILE HD11 H 1 0.899 0.02 . 1 . . . . 19 ILE HD11 . 16284 1 208 . 1 1 19 19 ILE HD12 H 1 0.899 0.02 . 1 . . . . 19 ILE HD11 . 16284 1 209 . 1 1 19 19 ILE HD13 H 1 0.899 0.02 . 1 . . . . 19 ILE HD11 . 16284 1 210 . 1 1 19 19 ILE HG12 H 1 1.697 0.02 . 2 . . . . 19 ILE HG11 . 16284 1 211 . 1 1 19 19 ILE HG13 H 1 1.300 0.02 . 2 . . . . 19 ILE HG12 . 16284 1 212 . 1 1 19 19 ILE HG21 H 1 0.992 0.02 . 1 . . . . 19 ILE HG21 . 16284 1 213 . 1 1 19 19 ILE HG22 H 1 0.992 0.02 . 1 . . . . 19 ILE HG21 . 16284 1 214 . 1 1 19 19 ILE HG23 H 1 0.992 0.02 . 1 . . . . 19 ILE HG21 . 16284 1 215 . 1 1 19 19 ILE CA C 13 63.988 0.1 . 1 . . . . 19 ILE CA . 16284 1 216 . 1 1 19 19 ILE CB C 13 37.153 0.1 . 1 . . . . 19 ILE CB . 16284 1 217 . 1 1 19 19 ILE CD1 C 13 12.832 0.1 . 1 . . . . 19 ILE CD1 . 16284 1 218 . 1 1 19 19 ILE CG1 C 13 28.955 0.1 . 1 . . . . 19 ILE CG1 . 16284 1 219 . 1 1 19 19 ILE CG2 C 13 18.232 0.1 . 1 . . . . 19 ILE CG2 . 16284 1 220 . 1 1 19 19 ILE N N 15 122.956 0.1 . 1 . . . . 19 ILE N . 16284 1 221 . 1 1 20 20 GLU H H 1 8.144 0.02 . 1 . . . . 20 GLU HN . 16284 1 222 . 1 1 20 20 GLU HA H 1 3.136 0.02 . 1 . . . . 20 GLU HA . 16284 1 223 . 1 1 20 20 GLU HB2 H 1 1.203 0.02 . 2 . . . . 20 GLU HB1 . 16284 1 224 . 1 1 20 20 GLU HG2 H 1 1.834 0.02 . 2 . . . . 20 GLU HG1 . 16284 1 225 . 1 1 20 20 GLU HG3 H 1 1.691 0.02 . 2 . . . . 20 GLU HG2 . 16284 1 226 . 1 1 20 20 GLU CA C 13 59.744 0.1 . 1 . . . . 20 GLU CA . 16284 1 227 . 1 1 20 20 GLU CB C 13 31.590 0.1 . 1 . . . . 20 GLU CB . 16284 1 228 . 1 1 20 20 GLU CG C 13 35.359 0.1 . 1 . . . . 20 GLU CG . 16284 1 229 . 1 1 20 20 GLU N N 15 122.206 0.1 . 1 . . . . 20 GLU N . 16284 1 230 . 1 1 21 21 ARG H H 1 7.712 0.02 . 1 . . . . 21 ARG HN . 16284 1 231 . 1 1 21 21 ARG HA H 1 3.989 0.02 . 1 . . . . 21 ARG HA . 16284 1 232 . 1 1 21 21 ARG HB2 H 1 1.869 0.02 . 2 . . . . 21 ARG HB1 . 16284 1 233 . 1 1 21 21 ARG HD2 H 1 3.192 0.02 . 2 . . . . 21 ARG HD1 . 16284 1 234 . 1 1 21 21 ARG HG2 H 1 1.698 0.02 . 2 . . . . 21 ARG HG1 . 16284 1 235 . 1 1 21 21 ARG HG3 H 1 1.601 0.02 . 2 . . . . 21 ARG HG2 . 16284 1 236 . 1 1 21 21 ARG CA C 13 58.925 0.1 . 1 . . . . 21 ARG CA . 16284 1 237 . 1 1 21 21 ARG CB C 13 29.979 0.1 . 1 . . . . 21 ARG CB . 16284 1 238 . 1 1 21 21 ARG CD C 13 43.349 0.1 . 1 . . . . 21 ARG CD . 16284 1 239 . 1 1 21 21 ARG CG C 13 27.570 0.1 . 1 . . . . 21 ARG CG . 16284 1 240 . 1 1 21 21 ARG N N 15 118.031 0.1 . 1 . . . . 21 ARG N . 16284 1 241 . 1 1 22 22 LEU H H 1 7.955 0.02 . 1 . . . . 22 LEU HN . 16284 1 242 . 1 1 22 22 LEU HA H 1 4.233 0.02 . 1 . . . . 22 LEU HA . 16284 1 243 . 1 1 22 22 LEU HB2 H 1 1.641 0.02 . 1 . . . . 22 LEU HB1 . 16284 1 244 . 1 1 22 22 LEU HB3 H 1 2.014 0.02 . 1 . . . . 22 LEU HB2 . 16284 1 245 . 1 1 22 22 LEU HD11 H 1 0.990 0.02 . 2 . . . . 22 LEU HD11 . 16284 1 246 . 1 1 22 22 LEU HD12 H 1 0.990 0.02 . 2 . . . . 22 LEU HD11 . 16284 1 247 . 1 1 22 22 LEU HD13 H 1 0.990 0.02 . 2 . . . . 22 LEU HD11 . 16284 1 248 . 1 1 22 22 LEU HD21 H 1 0.937 0.02 . 2 . . . . 22 LEU HD21 . 16284 1 249 . 1 1 22 22 LEU HD22 H 1 0.937 0.02 . 2 . . . . 22 LEU HD21 . 16284 1 250 . 1 1 22 22 LEU HD23 H 1 0.937 0.02 . 2 . . . . 22 LEU HD21 . 16284 1 251 . 1 1 22 22 LEU HG H 1 1.900 0.02 . 1 . . . . 22 LEU HG . 16284 1 252 . 1 1 22 22 LEU CA C 13 58.297 0.1 . 1 . . . . 22 LEU CA . 16284 1 253 . 1 1 22 22 LEU CB C 13 42.470 0.1 . 1 . . . . 22 LEU CB . 16284 1 254 . 1 1 22 22 LEU CD1 C 13 24.232 0.1 . 2 . . . . 22 LEU CD1 . 16284 1 255 . 1 1 22 22 LEU CD2 C 13 25.813 0.1 . 2 . . . . 22 LEU CD2 . 16284 1 256 . 1 1 22 22 LEU CG C 13 26.975 0.1 . 1 . . . . 22 LEU CG . 16284 1 257 . 1 1 22 22 LEU N N 15 120.166 0.1 . 1 . . . . 22 LEU N . 16284 1 258 . 1 1 23 23 CYS H H 1 8.634 0.02 . 1 . . . . 23 CYS HN . 16284 1 259 . 1 1 23 23 CYS HA H 1 4.150 0.02 . 1 . . . . 23 CYS HA . 16284 1 260 . 1 1 23 23 CYS HB2 H 1 3.291 0.02 . 2 . . . . 23 CYS HB1 . 16284 1 261 . 1 1 23 23 CYS HB3 H 1 3.221 0.02 . 2 . . . . 23 CYS HB2 . 16284 1 262 . 1 1 23 23 CYS CA C 13 60.813 0.1 . 1 . . . . 23 CYS CA . 16284 1 263 . 1 1 23 23 CYS CB C 13 41.569 0.1 . 1 . . . . 23 CYS CB . 16284 1 264 . 1 1 23 23 CYS N N 15 117.824 0.1 . 1 . . . . 23 CYS N . 16284 1 265 . 1 1 24 24 GLN H H 1 8.448 0.02 . 1 . . . . 24 GLN HN . 16284 1 266 . 1 1 24 24 GLN HA H 1 3.924 0.02 . 1 . . . . 24 GLN HA . 16284 1 267 . 1 1 24 24 GLN HB2 H 1 2.109 0.02 . 2 . . . . 24 GLN HB1 . 16284 1 268 . 1 1 24 24 GLN HB3 H 1 2.050 0.02 . 2 . . . . 24 GLN HB2 . 16284 1 269 . 1 1 24 24 GLN HE21 H 1 7.374 0.02 . 2 . . . . 24 GLN HE21 . 16284 1 270 . 1 1 24 24 GLN HE22 H 1 6.656 0.02 . 2 . . . . 24 GLN HE22 . 16284 1 271 . 1 1 24 24 GLN HG2 H 1 2.510 0.02 . 2 . . . . 24 GLN HG1 . 16284 1 272 . 1 1 24 24 GLN HG3 H 1 2.418 0.02 . 2 . . . . 24 GLN HG2 . 16284 1 273 . 1 1 24 24 GLN CA C 13 59.043 0.1 . 1 . . . . 24 GLN CA . 16284 1 274 . 1 1 24 24 GLN CB C 13 28.204 0.1 . 1 . . . . 24 GLN CB . 16284 1 275 . 1 1 24 24 GLN CG C 13 33.435 0.1 . 1 . . . . 24 GLN CG . 16284 1 276 . 1 1 24 24 GLN N N 15 121.235 0.1 . 1 . . . . 24 GLN N . 16284 1 277 . 1 1 24 24 GLN NE2 N 15 110.640 0.1 . 1 . . . . 24 GLN NE2 . 16284 1 278 . 1 1 25 25 HIS H H 1 7.911 0.02 . 1 . . . . 25 HIS HN . 16284 1 279 . 1 1 25 25 HIS HA H 1 4.284 0.02 . 1 . . . . 25 HIS HA . 16284 1 280 . 1 1 25 25 HIS HB2 H 1 2.802 0.02 . 1 . . . . 25 HIS HB1 . 16284 1 281 . 1 1 25 25 HIS HB3 H 1 3.027 0.02 . 1 . . . . 25 HIS HB2 . 16284 1 282 . 1 1 25 25 HIS CA C 13 58.623 0.1 . 1 . . . . 25 HIS CA . 16284 1 283 . 1 1 25 25 HIS CB C 13 30.843 0.1 . 1 . . . . 25 HIS CB . 16284 1 284 . 1 1 25 25 HIS N N 15 115.584 0.1 . 1 . . . . 25 HIS N . 16284 1 285 . 1 1 26 26 TYR H H 1 8.030 0.02 . 1 . . . . 26 TYR HN . 16284 1 286 . 1 1 26 26 TYR HA H 1 4.449 0.02 . 1 . . . . 26 TYR HA . 16284 1 287 . 1 1 26 26 TYR HB2 H 1 3.067 0.02 . 1 . . . . 26 TYR HB1 . 16284 1 288 . 1 1 26 26 TYR HB3 H 1 2.859 0.02 . 1 . . . . 26 TYR HB2 . 16284 1 289 . 1 1 26 26 TYR HD1 H 1 7.296 0.02 . 3 . . . . 26 TYR HD1 . 16284 1 290 . 1 1 26 26 TYR HD2 H 1 7.296 0.02 . 3 . . . . 26 TYR HD2 . 16284 1 291 . 1 1 26 26 TYR HE1 H 1 6.833 0.02 . 3 . . . . 26 TYR HE1 . 16284 1 292 . 1 1 26 26 TYR HE2 H 1 6.833 0.02 . 3 . . . . 26 TYR HE2 . 16284 1 293 . 1 1 26 26 TYR CA C 13 60.020 0.1 . 1 . . . . 26 TYR CA . 16284 1 294 . 1 1 26 26 TYR CB C 13 39.612 0.1 . 1 . . . . 26 TYR CB . 16284 1 295 . 1 1 26 26 TYR CD1 C 13 133.172 0.1 . 3 . . . . 26 TYR CD1 . 16284 1 296 . 1 1 26 26 TYR CD2 C 13 133.172 0.1 . 3 . . . . 26 TYR CD2 . 16284 1 297 . 1 1 26 26 TYR CE1 C 13 118.204 0.1 . 3 . . . . 26 TYR CE1 . 16284 1 298 . 1 1 26 26 TYR CE2 C 13 118.204 0.1 . 3 . . . . 26 TYR CE2 . 16284 1 299 . 1 1 26 26 TYR N N 15 114.240 0.1 . 1 . . . . 26 TYR N . 16284 1 300 . 1 1 27 27 ILE H H 1 7.866 0.02 . 1 . . . . 27 ILE HN . 16284 1 301 . 1 1 27 27 ILE HA H 1 4.326 0.02 . 1 . . . . 27 ILE HA . 16284 1 302 . 1 1 27 27 ILE HB H 1 2.410 0.02 . 1 . . . . 27 ILE HB . 16284 1 303 . 1 1 27 27 ILE HD11 H 1 0.941 0.02 . 1 . . . . 27 ILE HD11 . 16284 1 304 . 1 1 27 27 ILE HD12 H 1 0.941 0.02 . 1 . . . . 27 ILE HD11 . 16284 1 305 . 1 1 27 27 ILE HD13 H 1 0.941 0.02 . 1 . . . . 27 ILE HD11 . 16284 1 306 . 1 1 27 27 ILE HG12 H 1 1.639 0.02 . 2 . . . . 27 ILE HG11 . 16284 1 307 . 1 1 27 27 ILE HG13 H 1 1.289 0.02 . 2 . . . . 27 ILE HG12 . 16284 1 308 . 1 1 27 27 ILE HG21 H 1 1.090 0.02 . 1 . . . . 27 ILE HG21 . 16284 1 309 . 1 1 27 27 ILE HG22 H 1 1.090 0.02 . 1 . . . . 27 ILE HG21 . 16284 1 310 . 1 1 27 27 ILE HG23 H 1 1.090 0.02 . 1 . . . . 27 ILE HG21 . 16284 1 311 . 1 1 27 27 ILE CA C 13 62.316 0.1 . 1 . . . . 27 ILE CA . 16284 1 312 . 1 1 27 27 ILE CB C 13 38.441 0.1 . 1 . . . . 27 ILE CB . 16284 1 313 . 1 1 27 27 ILE CD1 C 13 12.591 0.1 . 1 . . . . 27 ILE CD1 . 16284 1 314 . 1 1 27 27 ILE CG1 C 13 27.940 0.1 . 1 . . . . 27 ILE CG1 . 16284 1 315 . 1 1 27 27 ILE CG2 C 13 18.113 0.1 . 1 . . . . 27 ILE CG2 . 16284 1 316 . 1 1 27 27 ILE N N 15 116.156 0.1 . 1 . . . . 27 ILE N . 16284 1 317 . 1 1 28 28 GLY H H 1 8.317 0.02 . 1 . . . . 28 GLY HN . 16284 1 318 . 1 1 28 28 GLY HA2 H 1 4.244 0.02 . 2 . . . . 28 GLY HA1 . 16284 1 319 . 1 1 28 28 GLY HA3 H 1 3.768 0.02 . 2 . . . . 28 GLY HA2 . 16284 1 320 . 1 1 28 28 GLY CA C 13 45.732 0.1 . 1 . . . . 28 GLY CA . 16284 1 321 . 1 1 28 28 GLY N N 15 107.149 0.1 . 1 . . . . 28 GLY N . 16284 1 322 . 1 1 29 29 TRP H H 1 7.166 0.02 . 1 . . . . 29 TRP HN . 16284 1 323 . 1 1 29 29 TRP HA H 1 4.654 0.02 . 1 . . . . 29 TRP HA . 16284 1 324 . 1 1 29 29 TRP HB2 H 1 3.239 0.02 . 2 . . . . 29 TRP HB1 . 16284 1 325 . 1 1 29 29 TRP HB3 H 1 3.085 0.02 . 2 . . . . 29 TRP HB2 . 16284 1 326 . 1 1 29 29 TRP HD1 H 1 7.279 0.02 . 1 . . . . 29 TRP HD1 . 16284 1 327 . 1 1 29 29 TRP HE1 H 1 10.534 0.02 . 1 . . . . 29 TRP HE1 . 16284 1 328 . 1 1 29 29 TRP HE3 H 1 7.495 0.02 . 1 . . . . 29 TRP HE3 . 16284 1 329 . 1 1 29 29 TRP HH2 H 1 7.038 0.02 . 1 . . . . 29 TRP HH2 . 16284 1 330 . 1 1 29 29 TRP HZ2 H 1 7.436 0.02 . 1 . . . . 29 TRP HZ2 . 16284 1 331 . 1 1 29 29 TRP HZ3 H 1 6.900 0.02 . 1 . . . . 29 TRP HZ3 . 16284 1 332 . 1 1 29 29 TRP CA C 13 57.861 0.1 . 1 . . . . 29 TRP CA . 16284 1 333 . 1 1 29 29 TRP CB C 13 29.596 0.1 . 1 . . . . 29 TRP CB . 16284 1 334 . 1 1 29 29 TRP CD1 C 13 126.839 0.1 . 1 . . . . 29 TRP CD1 . 16284 1 335 . 1 1 29 29 TRP CE3 C 13 120.992 0.1 . 1 . . . . 29 TRP CE3 . 16284 1 336 . 1 1 29 29 TRP CH2 C 13 123.916 0.1 . 1 . . . . 29 TRP CH2 . 16284 1 337 . 1 1 29 29 TRP CZ2 C 13 114.415 0.1 . 1 . . . . 29 TRP CZ2 . 16284 1 338 . 1 1 29 29 TRP CZ3 C 13 120.992 0.1 . 1 . . . . 29 TRP CZ3 . 16284 1 339 . 1 1 29 29 TRP N N 15 121.864 0.1 . 1 . . . . 29 TRP N . 16284 1 340 . 1 1 29 29 TRP NE1 N 15 130.837 0.1 . 1 . . . . 29 TRP NE1 . 16284 1 341 . 1 1 30 30 CYS H H 1 8.044 0.02 . 1 . . . . 30 CYS HN . 16284 1 342 . 1 1 30 30 CYS HA H 1 4.831 0.02 . 1 . . . . 30 CYS HA . 16284 1 343 . 1 1 30 30 CYS HB2 H 1 3.161 0.02 . 1 . . . . 30 CYS HB1 . 16284 1 344 . 1 1 30 30 CYS HB3 H 1 3.011 0.02 . 1 . . . . 30 CYS HB2 . 16284 1 345 . 1 1 30 30 CYS CA C 13 52.307 0.1 . 1 . . . . 30 CYS CA . 16284 1 346 . 1 1 30 30 CYS CB C 13 44.287 0.1 . 1 . . . . 30 CYS CB . 16284 1 347 . 1 1 30 30 CYS N N 15 119.218 0.1 . 1 . . . . 30 CYS N . 16284 1 348 . 1 1 31 31 PRO HA H 1 4.218 0.02 . 1 . . . . 31 PRO HA . 16284 1 349 . 1 1 31 31 PRO HB2 H 1 1.635 0.02 . 2 . . . . 31 PRO HB1 . 16284 1 350 . 1 1 31 31 PRO HB3 H 1 1.513 0.02 . 2 . . . . 31 PRO HB2 . 16284 1 351 . 1 1 31 31 PRO HD2 H 1 2.841 0.02 . 2 . . . . 31 PRO HD1 . 16284 1 352 . 1 1 31 31 PRO HD3 H 1 2.604 0.02 . 2 . . . . 31 PRO HD2 . 16284 1 353 . 1 1 31 31 PRO HG2 H 1 1.034 0.02 . 2 . . . . 31 PRO HG1 . 16284 1 354 . 1 1 31 31 PRO HG3 H 1 0.752 0.02 . 2 . . . . 31 PRO HG2 . 16284 1 355 . 1 1 31 31 PRO CA C 13 63.680 0.1 . 1 . . . . 31 PRO CA . 16284 1 356 . 1 1 31 31 PRO CB C 13 31.226 0.1 . 1 . . . . 31 PRO CB . 16284 1 357 . 1 1 31 31 PRO CD C 13 49.818 0.1 . 1 . . . . 31 PRO CD . 16284 1 358 . 1 1 31 31 PRO CG C 13 26.244 0.1 . 1 . . . . 31 PRO CG . 16284 1 359 . 1 1 32 32 PHE H H 1 6.394 0.02 . 1 . . . . 32 PHE HN . 16284 1 360 . 1 1 32 32 PHE HA H 1 4.205 0.02 . 1 . . . . 32 PHE HA . 16284 1 361 . 1 1 32 32 PHE HB2 H 1 2.676 0.02 . 2 . . . . 32 PHE HB1 . 16284 1 362 . 1 1 32 32 PHE HD1 H 1 6.900 0.02 . 3 . . . . 32 PHE HD1 . 16284 1 363 . 1 1 32 32 PHE HD2 H 1 6.900 0.02 . 3 . . . . 32 PHE HD2 . 16284 1 364 . 1 1 32 32 PHE HE1 H 1 7.141 0.02 . 3 . . . . 32 PHE HE1 . 16284 1 365 . 1 1 32 32 PHE HE2 H 1 7.140 0.02 . 3 . . . . 32 PHE HE2 . 16284 1 366 . 1 1 32 32 PHE HZ H 1 7.061 0.02 . 1 . . . . 32 PHE HZ . 16284 1 367 . 1 1 32 32 PHE CA C 13 57.337 0.1 . 1 . . . . 32 PHE CA . 16284 1 368 . 1 1 32 32 PHE CB C 13 38.535 0.1 . 1 . . . . 32 PHE CB . 16284 1 369 . 1 1 32 32 PHE CD1 C 13 131.224 0.1 . 3 . . . . 32 PHE CD1 . 16284 1 370 . 1 1 32 32 PHE CD2 C 13 131.224 0.1 . 3 . . . . 32 PHE CD2 . 16284 1 371 . 1 1 32 32 PHE CE1 C 13 130.980 0.1 . 3 . . . . 32 PHE CE1 . 16284 1 372 . 1 1 32 32 PHE CE2 C 13 130.980 0.1 . 3 . . . . 32 PHE CE2 . 16284 1 373 . 1 1 32 32 PHE CZ C 13 129.275 0.1 . 1 . . . . 32 PHE CZ . 16284 1 374 . 1 1 32 32 PHE N N 15 115.357 0.1 . 1 . . . . 32 PHE N . 16284 1 375 . 1 1 33 33 TRP H H 1 7.152 0.02 . 1 . . . . 33 TRP HN . 16284 1 376 . 1 1 33 33 TRP HA H 1 4.432 0.02 . 1 . . . . 33 TRP HA . 16284 1 377 . 1 1 33 33 TRP HB2 H 1 3.319 0.02 . 1 . . . . 33 TRP HB1 . 16284 1 378 . 1 1 33 33 TRP HB3 H 1 2.990 0.02 . 1 . . . . 33 TRP HB2 . 16284 1 379 . 1 1 33 33 TRP HD1 H 1 7.260 0.02 . 1 . . . . 33 TRP HD1 . 16284 1 380 . 1 1 33 33 TRP HE1 H 1 10.423 0.02 . 1 . . . . 33 TRP HE1 . 16284 1 381 . 1 1 33 33 TRP HE3 H 1 7.554 0.02 . 1 . . . . 33 TRP HE3 . 16284 1 382 . 1 1 33 33 TRP HH2 H 1 6.986 0.02 . 1 . . . . 33 TRP HH2 . 16284 1 383 . 1 1 33 33 TRP HZ2 H 1 7.371 0.02 . 1 . . . . 33 TRP HZ2 . 16284 1 384 . 1 1 33 33 TRP HZ3 H 1 7.088 0.02 . 1 . . . . 33 TRP HZ3 . 16284 1 385 . 1 1 33 33 TRP CA C 13 59.978 0.1 . 1 . . . . 33 TRP CA . 16284 1 386 . 1 1 33 33 TRP CB C 13 30.927 0.1 . 1 . . . . 33 TRP CB . 16284 1 387 . 1 1 33 33 TRP CD1 C 13 127.326 0.1 . 1 . . . . 33 TRP CD1 . 16284 1 388 . 1 1 33 33 TRP CE3 C 13 120.749 0.1 . 1 . . . . 33 TRP CE3 . 16284 1 389 . 1 1 33 33 TRP CH2 C 13 123.185 0.1 . 1 . . . . 33 TRP CH2 . 16284 1 390 . 1 1 33 33 TRP CZ2 C 13 114.902 0.1 . 1 . . . . 33 TRP CZ2 . 16284 1 391 . 1 1 33 33 TRP CZ3 C 13 120.505 0.1 . 1 . . . . 33 TRP CZ3 . 16284 1 392 . 1 1 33 33 TRP N N 15 123.725 0.1 . 1 . . . . 33 TRP N . 16284 1 393 . 1 1 33 33 TRP NE1 N 15 130.589 0.1 . 1 . . . . 33 TRP NE1 . 16284 1 stop_ save_