data_15058 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15058 _Entry.Title ; 1H assignment of En-6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-29 _Entry.Accession_date 2006-11-29 _Entry.Last_release_date 2007-10-16 _Entry.Original_release_date 2007-10-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Bill Pedrini . . . 15058 2 William Placzek . J. . 15058 3 Eda Koculi . . . 15058 4 Claudio Alimenti . . . 15058 5 Antonietta LaTerza . . . 15058 6 Pierangelo Luporini . . . 15058 7 Kurt Wuthrich . . . 15058 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 1 'not applicable' 'not applicable' . 15058 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 15058 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15058 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 344 15058 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 . . 2007-10-16 2006-11-29 original author . 15058 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JMS 'BMRB Entry Tracking System' 15058 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15058 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17663000 _Citation.Full_citation . _Citation.Title 'Cold-adaptation in sea-water-borne signal proteins: Sequence and NMR structure of the pheromone En-6 from the Antarctic ciliate Euplotes nobilii' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 372 _Citation.Journal_issue 2 _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 277 _Citation.Page_last 286 _Citation.Year 2007 _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 Bill Pedrini . . . 15058 1 2 William Placzek . J. . 15058 1 3 Eda Koculi . . . 15058 1 4 Claudio Alimenti . . . 15058 1 5 Antonietta LaTerza . . . 15058 1 6 Pierangelo Luporini . . . 15058 1 7 Kurt Wuthrich . . . 15058 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15058 _Assembly.ID 1 _Assembly.Name 'En-6 monomer' _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 . _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 'En-6 monomer' 1 $En-6 A . yes native no no . . . 15058 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 single . 1 'En-6 monomer' 1 CYS 13 13 SG . 1 'En-6 monomer' 1 CYS 42 42 SG . . . . . . . . . . 15058 1 2 disulfide single . 1 'En-6 monomer' 1 CYS 25 25 SG . 1 'En-6 monomer' 1 CYS 38 38 SG . . . . . . . . . . 15058 1 3 disulfide single . 1 'En-6 monomer' 1 CYS 34 34 SG . 1 'En-6 monomer' 1 CYS 60 60 SG . . . . . . . . . . 15058 1 4 disulfide single . 1 'En-6 monomer' 1 CYS 39 39 SG . 1 'En-6 monomer' 1 CYS 51 51 SG . . . . . . . . . . 15058 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_En-6 _Entity.Sf_category entity _Entity.Sf_framecode En-6 _Entity.Entry_ID 15058 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name En-6 _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 ; TDPEEHFDPNTNCDYTNSQD AWDYCTNYIVNSSCGEICCN DCFDETGTGACRAQAFGNSC LNW ; _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 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _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 2014-05-12 loop_ _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 no PDB 2JMS . "Nmr Structure Of En-6 Pheromone From The Antarctic Ciliate Euplotes Nobilii" . . . . . 100.00 63 100.00 100.00 2.80e-37 . . . . 15058 1 no GB ABK15649 . "pheromone En-6 [Euplotes nobilii]" . . . . . 100.00 94 100.00 100.00 3.27e-39 . . . . 15058 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . THR . 15058 1 2 . ASP . 15058 1 3 . PRO . 15058 1 4 . GLU . 15058 1 5 . GLU . 15058 1 6 . HIS . 15058 1 7 . PHE . 15058 1 8 . ASP . 15058 1 9 . PRO . 15058 1 10 . ASN . 15058 1 11 . THR . 15058 1 12 . ASN . 15058 1 13 . CYS . 15058 1 14 . ASP . 15058 1 15 . TYR . 15058 1 16 . THR . 15058 1 17 . ASN . 15058 1 18 . SER . 15058 1 19 . GLN . 15058 1 20 . ASP . 15058 1 21 . ALA . 15058 1 22 . TRP . 15058 1 23 . ASP . 15058 1 24 . TYR . 15058 1 25 . CYS . 15058 1 26 . THR . 15058 1 27 . ASN . 15058 1 28 . TYR . 15058 1 29 . ILE . 15058 1 30 . VAL . 15058 1 31 . ASN . 15058 1 32 . SER . 15058 1 33 . SER . 15058 1 34 . CYS . 15058 1 35 . GLY . 15058 1 36 . GLU . 15058 1 37 . ILE . 15058 1 38 . CYS . 15058 1 39 . CYS . 15058 1 40 . ASN . 15058 1 41 . ASP . 15058 1 42 . CYS . 15058 1 43 . PHE . 15058 1 44 . ASP . 15058 1 45 . GLU . 15058 1 46 . THR . 15058 1 47 . GLY . 15058 1 48 . THR . 15058 1 49 . GLY . 15058 1 50 . ALA . 15058 1 51 . CYS . 15058 1 52 . ARG . 15058 1 53 . ALA . 15058 1 54 . GLN . 15058 1 55 . ALA . 15058 1 56 . PHE . 15058 1 57 . GLY . 15058 1 58 . ASN . 15058 1 59 . SER . 15058 1 60 . CYS . 15058 1 61 . LEU . 15058 1 62 . ASN . 15058 1 63 . TRP . 15058 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . THR 1 1 15058 1 . ASP 2 2 15058 1 . PRO 3 3 15058 1 . GLU 4 4 15058 1 . GLU 5 5 15058 1 . HIS 6 6 15058 1 . PHE 7 7 15058 1 . ASP 8 8 15058 1 . PRO 9 9 15058 1 . ASN 10 10 15058 1 . THR 11 11 15058 1 . ASN 12 12 15058 1 . CYS 13 13 15058 1 . ASP 14 14 15058 1 . TYR 15 15 15058 1 . THR 16 16 15058 1 . ASN 17 17 15058 1 . SER 18 18 15058 1 . GLN 19 19 15058 1 . ASP 20 20 15058 1 . ALA 21 21 15058 1 . TRP 22 22 15058 1 . ASP 23 23 15058 1 . TYR 24 24 15058 1 . CYS 25 25 15058 1 . THR 26 26 15058 1 . ASN 27 27 15058 1 . TYR 28 28 15058 1 . ILE 29 29 15058 1 . VAL 30 30 15058 1 . ASN 31 31 15058 1 . SER 32 32 15058 1 . SER 33 33 15058 1 . CYS 34 34 15058 1 . GLY 35 35 15058 1 . GLU 36 36 15058 1 . ILE 37 37 15058 1 . CYS 38 38 15058 1 . CYS 39 39 15058 1 . ASN 40 40 15058 1 . ASP 41 41 15058 1 . CYS 42 42 15058 1 . PHE 43 43 15058 1 . ASP 44 44 15058 1 . GLU 45 45 15058 1 . THR 46 46 15058 1 . GLY 47 47 15058 1 . THR 48 48 15058 1 . GLY 49 49 15058 1 . ALA 50 50 15058 1 . CYS 51 51 15058 1 . ARG 52 52 15058 1 . ALA 53 53 15058 1 . GLN 54 54 15058 1 . ALA 55 55 15058 1 . PHE 56 56 15058 1 . GLY 57 57 15058 1 . ASN 58 58 15058 1 . SER 59 59 15058 1 . CYS 60 60 15058 1 . LEU 61 61 15058 1 . ASN 62 62 15058 1 . TRP 63 63 15058 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 15058 _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 $En-6 . 184062 organism . 'Euplotes nobilii' 'Euplotes nobilii' . . Eukaryota . Euplotes nobilii AC-4 . . . . . . . . . . . . . . . . . . . . 15058 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 15058 _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 $En-6 . 'purified from the natural source' 'Euplotes nobilii' . . . . . AC-4 . . . . . . . . . . . . . . . . . . . . . . 15058 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15058 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 En-6 'natural abundance' . . 1 $En-6 . . 1 . . mM 0.2 . . . 15058 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 15058 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15058 _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 En-6 'natural abundance' . . 1 $En-6 . . 1 . . mM 0.2 . . . 15058 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 15058 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15058 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'DSS for chemical shift calibration' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 En-6 'natural abundance' . . 1 $En-6 . . 1 . . mM 0.2 . . . 15058 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 15058 3 3 DSS 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 15058 3 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 15058 _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 6 0.1 pH 15058 1 pressure 1 . atm 15058 1 temperature 298 0.5 K 15058 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15058 _Software.ID 1 _Software.Name CARA _Software.Version 1.5.3 _Software.Details 'Computer Aided Resonance Assignment' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller, R' . . 15058 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15058 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 15058 _Software.ID 2 _Software.Name XWINNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15058 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15058 2 stop_ save_ save_ATNOS-CANDID _Software.Sf_category software _Software.Sf_framecode ATNOS-CANDID _Software.Entry_ID 15058 _Software.ID 3 _Software.Name ATNOS-CANDID _Software.Version 1.2 _Software.Details 'For NOESY peak picking / NOESY peak assignment / Torsion angle dynamics; iteration of 7 cycles' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15058 3 'Herrmann, Guntert and Wuthrich' . . 15058 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 15058 3 'peak picking' 15058 3 'structure solution' 15058 3 stop_ save_ save_OPALp _Software.Sf_category software _Software.Sf_framecode OPALp _Software.Entry_ID 15058 _Software.ID 4 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Guntert' . . 15058 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15058 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15058 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details 'For NOESY peak picking / NOESY peak assignment / Torsion angle dynamics; iteration of 7 cycles' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15058 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 15058 5 'peak picking' 15058 5 'structure solution' 15058 5 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 15058 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15058 _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 Bruker Avance . 600 . . . 15058 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 15058 _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 DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15058 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15058 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15058 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15058 1 5 '1D 1H' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15058 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 15058 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 15058 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_EN6_NMR-STAR _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode EN6_NMR-STAR _Assigned_chem_shift_list.Entry_ID 15058 _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 3 '2D 1H-1H NOESY' . . . 15058 1 5 '1D 1H' . . . 15058 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 15058 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 THR HA H 1 3.676 0.005 . 1 . . . . 1 THR HA . 15058 1 2 . 1 1 1 1 THR HB H 1 3.836 0.005 . 1 . . . . 1 THR HB . 15058 1 3 . 1 1 1 1 THR HG21 H 1 0.946 0.005 . 1 . . . . 1 THR HG2 . 15058 1 4 . 1 1 1 1 THR HG22 H 1 0.946 0.005 . 1 . . . . 1 THR HG2 . 15058 1 5 . 1 1 1 1 THR HG23 H 1 0.946 0.005 . 1 . . . . 1 THR HG2 . 15058 1 6 . 1 1 2 2 ASP HA H 1 4.798 0.005 . 1 . . . . 2 ASP HA . 15058 1 7 . 1 1 2 2 ASP HB2 H 1 2.766 0.005 . 1 . . . . 2 ASP HB2 . 15058 1 8 . 1 1 2 2 ASP HB3 H 1 2.517 0.005 . 1 . . . . 2 ASP HB3 . 15058 1 9 . 1 1 3 3 PRO HA H 1 3.942 0.005 . 1 . . . . 3 PRO HA . 15058 1 10 . 1 1 3 3 PRO HB2 H 1 1.766 0.005 . 1 . . . . 3 PRO HB2 . 15058 1 11 . 1 1 3 3 PRO HB3 H 1 1.932 0.005 . 1 . . . . 3 PRO HB3 . 15058 1 12 . 1 1 3 3 PRO HG2 H 1 0.709 0.005 . 1 . . . . 3 PRO HG2 . 15058 1 13 . 1 1 3 3 PRO HG3 H 1 1.371 0.005 . 1 . . . . 3 PRO HG3 . 15058 1 14 . 1 1 3 3 PRO HD2 H 1 3.302 0.005 . 1 . . . . 3 PRO HD2 . 15058 1 15 . 1 1 3 3 PRO HD3 H 1 3.543 0.005 . 1 . . . . 3 PRO HD3 . 15058 1 16 . 1 1 4 4 GLU H H 1 8.041 0.005 . 1 . . . . 4 GLU H . 15058 1 17 . 1 1 4 4 GLU HA H 1 4.077 0.005 . 1 . . . . 4 GLU HA . 15058 1 18 . 1 1 4 4 GLU HB2 H 1 2.054 0.005 . 1 . . . . 4 GLU HB2 . 15058 1 19 . 1 1 4 4 GLU HB3 H 1 1.990 0.005 . 1 . . . . 4 GLU HB3 . 15058 1 20 . 1 1 4 4 GLU HG2 H 1 2.318 0.005 . 2 . . . . 4 GLU HG2 . 15058 1 21 . 1 1 5 5 GLU H H 1 7.618 0.005 . 1 . . . . 5 GLU H . 15058 1 22 . 1 1 5 5 GLU HA H 1 4.086 0.005 . 1 . . . . 5 GLU HA . 15058 1 23 . 1 1 5 5 GLU HB2 H 1 1.813 0.005 . 1 . . . . 5 GLU HB2 . 15058 1 24 . 1 1 5 5 GLU HB3 H 1 1.919 0.005 . 1 . . . . 5 GLU HB3 . 15058 1 25 . 1 1 5 5 GLU HG2 H 1 2.015 0.005 . 1 . . . . 5 GLU HG2 . 15058 1 26 . 1 1 5 5 GLU HG3 H 1 2.157 0.005 . 1 . . . . 5 GLU HG3 . 15058 1 27 . 1 1 6 6 HIS H H 1 7.572 0.005 . 1 . . . . 6 HIS H . 15058 1 28 . 1 1 6 6 HIS HA H 1 5.069 0.005 . 1 . . . . 6 HIS HA . 15058 1 29 . 1 1 6 6 HIS HB2 H 1 2.891 0.005 . 1 . . . . 6 HIS HB2 . 15058 1 30 . 1 1 6 6 HIS HB3 H 1 4.142 0.005 . 1 . . . . 6 HIS HB3 . 15058 1 31 . 1 1 6 6 HIS HD2 H 1 7.307 0.005 . 1 . . . . 6 HIS HD2 . 15058 1 32 . 1 1 6 6 HIS HE1 H 1 8.624 0.005 . 1 . . . . 6 HIS HE1 . 15058 1 33 . 1 1 7 7 PHE H H 1 7.693 0.005 . 1 . . . . 7 PHE H . 15058 1 34 . 1 1 7 7 PHE HA H 1 4.558 0.005 . 1 . . . . 7 PHE HA . 15058 1 35 . 1 1 7 7 PHE HB2 H 1 3.141 0.005 . 1 . . . . 7 PHE HB2 . 15058 1 36 . 1 1 7 7 PHE HB3 H 1 3.319 0.005 . 1 . . . . 7 PHE HB3 . 15058 1 37 . 1 1 7 7 PHE HD1 H 1 6.996 0.005 . 3 . . . . 7 PHE HD1 . 15058 1 38 . 1 1 7 7 PHE HE1 H 1 7.104 0.005 . 3 . . . . 7 PHE HE1 . 15058 1 39 . 1 1 8 8 ASP H H 1 8.085 0.005 . 1 . . . . 8 ASP H . 15058 1 40 . 1 1 8 8 ASP HA H 1 4.608 0.005 . 1 . . . . 8 ASP HA . 15058 1 41 . 1 1 8 8 ASP HB2 H 1 2.466 0.005 . 2 . . . . 8 ASP HB2 . 15058 1 42 . 1 1 9 9 PRO HA H 1 4.490 0.005 . 1 . . . . 9 PRO HA . 15058 1 43 . 1 1 9 9 PRO HB2 H 1 2.048 0.005 . 1 . . . . 9 PRO HB2 . 15058 1 44 . 1 1 9 9 PRO HB3 H 1 1.975 0.005 . 1 . . . . 9 PRO HB3 . 15058 1 45 . 1 1 9 9 PRO HG2 H 1 1.499 0.005 . 1 . . . . 9 PRO HG2 . 15058 1 46 . 1 1 9 9 PRO HG3 H 1 1.842 0.005 . 1 . . . . 9 PRO HG3 . 15058 1 47 . 1 1 9 9 PRO HD2 H 1 3.111 0.005 . 1 . . . . 9 PRO HD2 . 15058 1 48 . 1 1 9 9 PRO HD3 H 1 1.132 0.005 . 1 . . . . 9 PRO HD3 . 15058 1 49 . 1 1 10 10 ASN H H 1 8.290 0.005 . 1 . . . . 10 ASN H . 15058 1 50 . 1 1 10 10 ASN HA H 1 4.921 0.005 . 1 . . . . 10 ASN HA . 15058 1 51 . 1 1 10 10 ASN HB2 H 1 3.007 0.005 . 1 . . . . 10 ASN HB2 . 15058 1 52 . 1 1 10 10 ASN HB3 H 1 3.474 0.005 . 1 . . . . 10 ASN HB3 . 15058 1 53 . 1 1 10 10 ASN HD21 H 1 7.616 0.005 . 1 . . . . 10 ASN HD21 . 15058 1 54 . 1 1 10 10 ASN HD22 H 1 7.563 0.005 . 1 . . . . 10 ASN HD22 . 15058 1 55 . 1 1 11 11 THR H H 1 7.886 0.005 . 1 . . . . 11 THR H . 15058 1 56 . 1 1 11 11 THR HA H 1 4.012 0.005 . 1 . . . . 11 THR HA . 15058 1 57 . 1 1 11 11 THR HB H 1 4.260 0.005 . 1 . . . . 11 THR HB . 15058 1 58 . 1 1 11 11 THR HG21 H 1 1.256 0.005 . 1 . . . . 11 THR HG2 . 15058 1 59 . 1 1 11 11 THR HG22 H 1 1.256 0.005 . 1 . . . . 11 THR HG2 . 15058 1 60 . 1 1 11 11 THR HG23 H 1 1.256 0.005 . 1 . . . . 11 THR HG2 . 15058 1 61 . 1 1 12 12 ASN H H 1 8.452 0.005 . 1 . . . . 12 ASN H . 15058 1 62 . 1 1 12 12 ASN HA H 1 4.734 0.005 . 1 . . . . 12 ASN HA . 15058 1 63 . 1 1 12 12 ASN HB2 H 1 2.556 0.005 . 1 . . . . 12 ASN HB2 . 15058 1 64 . 1 1 12 12 ASN HB3 H 1 2.826 0.005 . 1 . . . . 12 ASN HB3 . 15058 1 65 . 1 1 12 12 ASN HD21 H 1 7.748 0.005 . 1 . . . . 12 ASN HD21 . 15058 1 66 . 1 1 12 12 ASN HD22 H 1 6.747 0.005 . 1 . . . . 12 ASN HD22 . 15058 1 67 . 1 1 13 13 CYS H H 1 7.391 0.005 . 1 . . . . 13 CYS H . 15058 1 68 . 1 1 13 13 CYS HA H 1 4.556 0.005 . 1 . . . . 13 CYS HA . 15058 1 69 . 1 1 13 13 CYS HB2 H 1 2.847 0.005 . 1 . . . . 13 CYS HB2 . 15058 1 70 . 1 1 13 13 CYS HB3 H 1 3.329 0.005 . 1 . . . . 13 CYS HB3 . 15058 1 71 . 1 1 14 14 ASP H H 1 9.212 0.005 . 1 . . . . 14 ASP H . 15058 1 72 . 1 1 14 14 ASP HA H 1 4.344 0.005 . 1 . . . . 14 ASP HA . 15058 1 73 . 1 1 14 14 ASP HB2 H 1 1.737 0.005 . 1 . . . . 14 ASP HB2 . 15058 1 74 . 1 1 14 14 ASP HB3 H 1 2.085 0.005 . 1 . . . . 14 ASP HB3 . 15058 1 75 . 1 1 15 15 TYR H H 1 7.214 0.005 . 1 . . . . 15 TYR H . 15058 1 76 . 1 1 15 15 TYR HA H 1 4.889 0.005 . 1 . . . . 15 TYR HA . 15058 1 77 . 1 1 15 15 TYR HB2 H 1 2.560 0.005 . 1 . . . . 15 TYR HB2 . 15058 1 78 . 1 1 15 15 TYR HB3 H 1 3.375 0.005 . 1 . . . . 15 TYR HB3 . 15058 1 79 . 1 1 15 15 TYR HD1 H 1 7.121 0.005 . 3 . . . . 15 TYR HD1 . 15058 1 80 . 1 1 15 15 TYR HE1 H 1 6.388 0.005 . 3 . . . . 15 TYR HE1 . 15058 1 81 . 1 1 16 16 THR H H 1 9.063 0.005 . 1 . . . . 16 THR H . 15058 1 82 . 1 1 16 16 THR HA H 1 4.541 0.005 . 1 . . . . 16 THR HA . 15058 1 83 . 1 1 16 16 THR HB H 1 4.647 0.005 . 1 . . . . 16 THR HB . 15058 1 84 . 1 1 16 16 THR HG21 H 1 1.275 0.005 . 1 . . . . 16 THR HG2 . 15058 1 85 . 1 1 16 16 THR HG22 H 1 1.275 0.005 . 1 . . . . 16 THR HG2 . 15058 1 86 . 1 1 16 16 THR HG23 H 1 1.275 0.005 . 1 . . . . 16 THR HG2 . 15058 1 87 . 1 1 17 17 ASN H H 1 7.518 0.005 . 1 . . . . 17 ASN H . 15058 1 88 . 1 1 17 17 ASN HA H 1 4.766 0.005 . 1 . . . . 17 ASN HA . 15058 1 89 . 1 1 17 17 ASN HB2 H 1 2.848 0.005 . 1 . . . . 17 ASN HB2 . 15058 1 90 . 1 1 17 17 ASN HB3 H 1 2.796 0.005 . 1 . . . . 17 ASN HB3 . 15058 1 91 . 1 1 17 17 ASN HD21 H 1 7.272 0.005 . 1 . . . . 17 ASN HD21 . 15058 1 92 . 1 1 17 17 ASN HD22 H 1 7.445 0.005 . 1 . . . . 17 ASN HD22 . 15058 1 93 . 1 1 18 18 SER H H 1 8.710 0.005 . 1 . . . . 18 SER H . 15058 1 94 . 1 1 18 18 SER HA H 1 2.765 0.005 . 1 . . . . 18 SER HA . 15058 1 95 . 1 1 18 18 SER HB2 H 1 3.486 0.005 . 2 . . . . 18 SER HB2 . 15058 1 96 . 1 1 19 19 GLN H H 1 8.005 0.005 . 1 . . . . 19 GLN H . 15058 1 97 . 1 1 19 19 GLN HA H 1 3.992 0.005 . 1 . . . . 19 GLN HA . 15058 1 98 . 1 1 19 19 GLN HB2 H 1 2.111 0.005 . 1 . . . . 19 GLN HB2 . 15058 1 99 . 1 1 19 19 GLN HB3 H 1 2.156 0.005 . 1 . . . . 19 GLN HB3 . 15058 1 100 . 1 1 19 19 GLN HG2 H 1 2.409 0.005 . 1 . . . . 19 GLN HG2 . 15058 1 101 . 1 1 19 19 GLN HG3 H 1 2.466 0.005 . 1 . . . . 19 GLN HG3 . 15058 1 102 . 1 1 19 19 GLN HE21 H 1 6.741 0.005 . 1 . . . . 19 GLN HE21 . 15058 1 103 . 1 1 19 19 GLN HE22 H 1 8.083 0.005 . 1 . . . . 19 GLN HE22 . 15058 1 104 . 1 1 20 20 ASP H H 1 8.265 0.005 . 1 . . . . 20 ASP H . 15058 1 105 . 1 1 20 20 ASP HA H 1 4.458 0.005 . 1 . . . . 20 ASP HA . 15058 1 106 . 1 1 20 20 ASP HB2 H 1 2.660 0.005 . 1 . . . . 20 ASP HB2 . 15058 1 107 . 1 1 20 20 ASP HB3 H 1 2.753 0.005 . 1 . . . . 20 ASP HB3 . 15058 1 108 . 1 1 21 21 ALA H H 1 7.769 0.005 . 1 . . . . 21 ALA H . 15058 1 109 . 1 1 21 21 ALA HA H 1 3.905 0.005 . 1 . . . . 21 ALA HA . 15058 1 110 . 1 1 21 21 ALA HB1 H 1 1.481 0.005 . 1 . . . . 21 ALA HB . 15058 1 111 . 1 1 21 21 ALA HB2 H 1 1.481 0.005 . 1 . . . . 21 ALA HB . 15058 1 112 . 1 1 21 21 ALA HB3 H 1 1.481 0.005 . 1 . . . . 21 ALA HB . 15058 1 113 . 1 1 22 22 TRP H H 1 8.751 0.005 . 1 . . . . 22 TRP H . 15058 1 114 . 1 1 22 22 TRP HA H 1 4.315 0.005 . 1 . . . . 22 TRP HA . 15058 1 115 . 1 1 22 22 TRP HB2 H 1 3.395 0.005 . 2 . . . . 22 TRP HB2 . 15058 1 116 . 1 1 22 22 TRP HD1 H 1 7.226 0.005 . 1 . . . . 22 TRP HD1 . 15058 1 117 . 1 1 22 22 TRP HE1 H 1 9.860 0.005 . 1 . . . . 22 TRP HE1 . 15058 1 118 . 1 1 22 22 TRP HE3 H 1 6.799 0.005 . 1 . . . . 22 TRP HE3 . 15058 1 119 . 1 1 22 22 TRP HZ2 H 1 7.295 0.005 . 1 . . . . 22 TRP HZ2 . 15058 1 120 . 1 1 22 22 TRP HZ3 H 1 6.137 0.005 . 1 . . . . 22 TRP HZ3 . 15058 1 121 . 1 1 22 22 TRP HH2 H 1 6.700 0.005 . 1 . . . . 22 TRP HH2 . 15058 1 122 . 1 1 23 23 ASP H H 1 9.185 0.005 . 1 . . . . 23 ASP H . 15058 1 123 . 1 1 23 23 ASP HA H 1 4.236 0.005 . 1 . . . . 23 ASP HA . 15058 1 124 . 1 1 23 23 ASP HB2 H 1 2.376 0.005 . 1 . . . . 23 ASP HB2 . 15058 1 125 . 1 1 23 23 ASP HB3 H 1 2.837 0.005 . 1 . . . . 23 ASP HB3 . 15058 1 126 . 1 1 24 24 TYR H H 1 8.669 0.005 . 1 . . . . 24 TYR H . 15058 1 127 . 1 1 24 24 TYR HA H 1 4.424 0.005 . 1 . . . . 24 TYR HA . 15058 1 128 . 1 1 24 24 TYR HB2 H 1 2.256 0.005 . 1 . . . . 24 TYR HB2 . 15058 1 129 . 1 1 24 24 TYR HB3 H 1 2.956 0.005 . 1 . . . . 24 TYR HB3 . 15058 1 130 . 1 1 24 24 TYR HD1 H 1 7.113 0.005 . 3 . . . . 24 TYR HD1 . 15058 1 131 . 1 1 24 24 TYR HE1 H 1 6.747 0.005 . 3 . . . . 24 TYR HE1 . 15058 1 132 . 1 1 25 25 CYS H H 1 9.155 0.005 . 1 . . . . 25 CYS H . 15058 1 133 . 1 1 25 25 CYS HA H 1 4.810 0.005 . 1 . . . . 25 CYS HA . 15058 1 134 . 1 1 25 25 CYS HB2 H 1 3.651 0.005 . 1 . . . . 25 CYS HB2 . 15058 1 135 . 1 1 25 25 CYS HB3 H 1 3.169 0.005 . 1 . . . . 25 CYS HB3 . 15058 1 136 . 1 1 26 26 THR H H 1 7.986 0.005 . 1 . . . . 26 THR H . 15058 1 137 . 1 1 26 26 THR HA H 1 4.044 0.005 . 1 . . . . 26 THR HA . 15058 1 138 . 1 1 26 26 THR HB H 1 3.878 0.005 . 1 . . . . 26 THR HB . 15058 1 139 . 1 1 26 26 THR HG21 H 1 0.220 0.005 . 1 . . . . 26 THR HG2 . 15058 1 140 . 1 1 26 26 THR HG22 H 1 0.220 0.005 . 1 . . . . 26 THR HG2 . 15058 1 141 . 1 1 26 26 THR HG23 H 1 0.220 0.005 . 1 . . . . 26 THR HG2 . 15058 1 142 . 1 1 27 27 ASN H H 1 8.005 0.005 . 1 . . . . 27 ASN H . 15058 1 143 . 1 1 27 27 ASN HA H 1 4.552 0.005 . 1 . . . . 27 ASN HA . 15058 1 144 . 1 1 27 27 ASN HB2 H 1 3.561 0.005 . 1 . . . . 27 ASN HB2 . 15058 1 145 . 1 1 27 27 ASN HB3 H 1 2.004 0.005 . 1 . . . . 27 ASN HB3 . 15058 1 146 . 1 1 27 27 ASN HD21 H 1 6.607 0.005 . 1 . . . . 27 ASN HD21 . 15058 1 147 . 1 1 27 27 ASN HD22 H 1 7.016 0.005 . 1 . . . . 27 ASN HD22 . 15058 1 148 . 1 1 28 28 TYR H H 1 7.830 0.005 . 1 . . . . 28 TYR H . 15058 1 149 . 1 1 28 28 TYR HA H 1 3.954 0.005 . 1 . . . . 28 TYR HA . 15058 1 150 . 1 1 28 28 TYR HB2 H 1 2.843 0.005 . 1 . . . . 28 TYR HB2 . 15058 1 151 . 1 1 28 28 TYR HB3 H 1 3.102 0.005 . 1 . . . . 28 TYR HB3 . 15058 1 152 . 1 1 28 28 TYR HD1 H 1 6.952 0.005 . 3 . . . . 28 TYR HD1 . 15058 1 153 . 1 1 28 28 TYR HE1 H 1 6.811 0.005 . 3 . . . . 28 TYR HE1 . 15058 1 154 . 1 1 29 29 ILE H H 1 6.950 0.005 . 1 . . . . 29 ILE H . 15058 1 155 . 1 1 29 29 ILE HA H 1 3.697 0.005 . 1 . . . . 29 ILE HA . 15058 1 156 . 1 1 29 29 ILE HB H 1 0.661 0.005 . 1 . . . . 29 ILE HB . 15058 1 157 . 1 1 29 29 ILE HG12 H 1 0.491 0.005 . 1 . . . . 29 ILE HG12 . 15058 1 158 . 1 1 29 29 ILE HG13 H 1 0.755 0.005 . 1 . . . . 29 ILE HG13 . 15058 1 159 . 1 1 29 29 ILE HG21 H 1 0.565 0.005 . 1 . . . . 29 ILE HG2 . 15058 1 160 . 1 1 29 29 ILE HG22 H 1 0.565 0.005 . 1 . . . . 29 ILE HG2 . 15058 1 161 . 1 1 29 29 ILE HG23 H 1 0.565 0.005 . 1 . . . . 29 ILE HG2 . 15058 1 162 . 1 1 29 29 ILE HD11 H 1 1.109 0.005 . 1 . . . . 29 ILE HD1 . 15058 1 163 . 1 1 29 29 ILE HD12 H 1 1.109 0.005 . 1 . . . . 29 ILE HD1 . 15058 1 164 . 1 1 29 29 ILE HD13 H 1 1.109 0.005 . 1 . . . . 29 ILE HD1 . 15058 1 165 . 1 1 30 30 VAL H H 1 8.023 0.005 . 1 . . . . 30 VAL H . 15058 1 166 . 1 1 30 30 VAL HA H 1 3.657 0.005 . 1 . . . . 30 VAL HA . 15058 1 167 . 1 1 30 30 VAL HB H 1 1.818 0.005 . 1 . . . . 30 VAL HB . 15058 1 168 . 1 1 30 30 VAL HG11 H 1 0.971 0.005 . 1 . . . . 30 VAL HG1 . 15058 1 169 . 1 1 30 30 VAL HG12 H 1 0.971 0.005 . 1 . . . . 30 VAL HG1 . 15058 1 170 . 1 1 30 30 VAL HG13 H 1 0.971 0.005 . 1 . . . . 30 VAL HG1 . 15058 1 171 . 1 1 31 31 ASN H H 1 9.183 0.005 . 1 . . . . 31 ASN H . 15058 1 172 . 1 1 31 31 ASN HA H 1 5.079 0.005 . 1 . . . . 31 ASN HA . 15058 1 173 . 1 1 31 31 ASN HB2 H 1 2.881 0.005 . 1 . . . . 31 ASN HB2 . 15058 1 174 . 1 1 31 31 ASN HB3 H 1 3.014 0.005 . 1 . . . . 31 ASN HB3 . 15058 1 175 . 1 1 31 31 ASN HD21 H 1 8.496 0.005 . 1 . . . . 31 ASN HD21 . 15058 1 176 . 1 1 31 31 ASN HD22 H 1 8.224 0.005 . 1 . . . . 31 ASN HD22 . 15058 1 177 . 1 1 32 32 SER H H 1 8.225 0.005 . 1 . . . . 32 SER H . 15058 1 178 . 1 1 32 32 SER HA H 1 2.882 0.005 . 1 . . . . 32 SER HA . 15058 1 179 . 1 1 32 32 SER HB2 H 1 3.017 0.005 . 2 . . . . 32 SER HB2 . 15058 1 180 . 1 1 33 33 SER H H 1 8.185 0.005 . 1 . . . . 33 SER H . 15058 1 181 . 1 1 33 33 SER HA H 1 4.909 0.005 . 1 . . . . 33 SER HA . 15058 1 182 . 1 1 33 33 SER HB2 H 1 4.047 0.005 . 1 . . . . 33 SER HB2 . 15058 1 183 . 1 1 33 33 SER HB3 H 1 4.309 0.005 . 1 . . . . 33 SER HB3 . 15058 1 184 . 1 1 34 34 CYS H H 1 6.861 0.005 . 1 . . . . 34 CYS H . 15058 1 185 . 1 1 34 34 CYS HA H 1 4.719 0.005 . 1 . . . . 34 CYS HA . 15058 1 186 . 1 1 34 34 CYS HB2 H 1 3.173 0.005 . 1 . . . . 34 CYS HB2 . 15058 1 187 . 1 1 34 34 CYS HB3 H 1 3.598 0.005 . 1 . . . . 34 CYS HB3 . 15058 1 188 . 1 1 35 35 GLY H H 1 9.891 0.005 . 1 . . . . 35 GLY H . 15058 1 189 . 1 1 35 35 GLY HA2 H 1 3.195 0.005 . 1 . . . . 35 GLY HA2 . 15058 1 190 . 1 1 35 35 GLY HA3 H 1 4.804 0.005 . 1 . . . . 35 GLY HA3 . 15058 1 191 . 1 1 36 36 GLU H H 1 8.294 0.005 . 1 . . . . 36 GLU H . 15058 1 192 . 1 1 36 36 GLU HA H 1 3.315 0.005 . 1 . . . . 36 GLU HA . 15058 1 193 . 1 1 36 36 GLU HB2 H 1 1.872 0.005 . 1 . . . . 36 GLU HB2 . 15058 1 194 . 1 1 36 36 GLU HB3 H 1 2.166 0.005 . 1 . . . . 36 GLU HB3 . 15058 1 195 . 1 1 36 36 GLU HG2 H 1 1.966 0.005 . 2 . . . . 36 GLU HG2 . 15058 1 196 . 1 1 37 37 ILE H H 1 8.075 0.005 . 1 . . . . 37 ILE H . 15058 1 197 . 1 1 37 37 ILE HA H 1 3.692 0.005 . 1 . . . . 37 ILE HA . 15058 1 198 . 1 1 37 37 ILE HB H 1 1.909 0.005 . 1 . . . . 37 ILE HB . 15058 1 199 . 1 1 37 37 ILE HG12 H 1 1.577 0.005 . 1 . . . . 37 ILE HG12 . 15058 1 200 . 1 1 37 37 ILE HG13 H 1 1.238 0.005 . 1 . . . . 37 ILE HG13 . 15058 1 201 . 1 1 37 37 ILE HG21 H 1 0.974 0.005 . 1 . . . . 37 ILE HG2 . 15058 1 202 . 1 1 37 37 ILE HG22 H 1 0.974 0.005 . 1 . . . . 37 ILE HG2 . 15058 1 203 . 1 1 37 37 ILE HG23 H 1 0.974 0.005 . 1 . . . . 37 ILE HG2 . 15058 1 204 . 1 1 37 37 ILE HD11 H 1 0.854 0.005 . 1 . . . . 37 ILE HD1 . 15058 1 205 . 1 1 37 37 ILE HD12 H 1 0.854 0.005 . 1 . . . . 37 ILE HD1 . 15058 1 206 . 1 1 37 37 ILE HD13 H 1 0.854 0.005 . 1 . . . . 37 ILE HD1 . 15058 1 207 . 1 1 38 38 CYS H H 1 7.801 0.005 . 1 . . . . 38 CYS H . 15058 1 208 . 1 1 38 38 CYS HA H 1 4.438 0.005 . 1 . . . . 38 CYS HA . 15058 1 209 . 1 1 38 38 CYS HB2 H 1 3.347 0.005 . 1 . . . . 38 CYS HB2 . 15058 1 210 . 1 1 38 38 CYS HB3 H 1 3.625 0.005 . 1 . . . . 38 CYS HB3 . 15058 1 211 . 1 1 39 39 CYS H H 1 9.403 0.005 . 1 . . . . 39 CYS H . 15058 1 212 . 1 1 39 39 CYS HA H 1 4.569 0.005 . 1 . . . . 39 CYS HA . 15058 1 213 . 1 1 39 39 CYS HB2 H 1 2.996 0.005 . 1 . . . . 39 CYS HB2 . 15058 1 214 . 1 1 39 39 CYS HB3 H 1 3.241 0.005 . 1 . . . . 39 CYS HB3 . 15058 1 215 . 1 1 40 40 ASN H H 1 8.564 0.005 . 1 . . . . 40 ASN H . 15058 1 216 . 1 1 40 40 ASN HA H 1 4.783 0.005 . 1 . . . . 40 ASN HA . 15058 1 217 . 1 1 40 40 ASN HB2 H 1 2.870 0.005 . 1 . . . . 40 ASN HB2 . 15058 1 218 . 1 1 40 40 ASN HB3 H 1 3.044 0.005 . 1 . . . . 40 ASN HB3 . 15058 1 219 . 1 1 40 40 ASN HD21 H 1 7.694 0.005 . 1 . . . . 40 ASN HD21 . 15058 1 220 . 1 1 40 40 ASN HD22 H 1 7.207 0.005 . 1 . . . . 40 ASN HD22 . 15058 1 221 . 1 1 41 41 ASP H H 1 8.835 0.005 . 1 . . . . 41 ASP H . 15058 1 222 . 1 1 41 41 ASP HA H 1 4.788 0.005 . 1 . . . . 41 ASP HA . 15058 1 223 . 1 1 41 41 ASP HB2 H 1 2.619 0.005 . 1 . . . . 41 ASP HB2 . 15058 1 224 . 1 1 41 41 ASP HB3 H 1 2.884 0.005 . 1 . . . . 41 ASP HB3 . 15058 1 225 . 1 1 42 42 CYS H H 1 8.380 0.005 . 1 . . . . 42 CYS H . 15058 1 226 . 1 1 42 42 CYS HA H 1 4.553 0.005 . 1 . . . . 42 CYS HA . 15058 1 227 . 1 1 42 42 CYS HB2 H 1 2.767 0.005 . 1 . . . . 42 CYS HB2 . 15058 1 228 . 1 1 42 42 CYS HB3 H 1 3.073 0.005 . 1 . . . . 42 CYS HB3 . 15058 1 229 . 1 1 43 43 PHE H H 1 8.061 0.005 . 1 . . . . 43 PHE H . 15058 1 230 . 1 1 43 43 PHE HA H 1 5.267 0.005 . 1 . . . . 43 PHE HA . 15058 1 231 . 1 1 43 43 PHE HB2 H 1 3.125 0.005 . 1 . . . . 43 PHE HB2 . 15058 1 232 . 1 1 43 43 PHE HB3 H 1 3.325 0.005 . 1 . . . . 43 PHE HB3 . 15058 1 233 . 1 1 43 43 PHE HD1 H 1 7.686 0.005 . 3 . . . . 43 PHE HD1 . 15058 1 234 . 1 1 43 43 PHE HE1 H 1 7.442 0.005 . 3 . . . . 43 PHE HE1 . 15058 1 235 . 1 1 43 43 PHE HZ H 1 7.544 0.005 . 1 . . . . 43 PHE HZ . 15058 1 236 . 1 1 44 44 ASP H H 1 8.687 0.005 . 1 . . . . 44 ASP H . 15058 1 237 . 1 1 44 44 ASP HA H 1 5.010 0.005 . 1 . . . . 44 ASP HA . 15058 1 238 . 1 1 44 44 ASP HB2 H 1 2.972 0.005 . 1 . . . . 44 ASP HB2 . 15058 1 239 . 1 1 44 44 ASP HB3 H 1 3.556 0.005 . 1 . . . . 44 ASP HB3 . 15058 1 240 . 1 1 45 45 GLU H H 1 8.809 0.005 . 1 . . . . 45 GLU H . 15058 1 241 . 1 1 45 45 GLU HA H 1 4.136 0.005 . 1 . . . . 45 GLU HA . 15058 1 242 . 1 1 45 45 GLU HB2 H 1 2.238 0.005 . 1 . . . . 45 GLU HB2 . 15058 1 243 . 1 1 45 45 GLU HB3 H 1 2.165 0.005 . 1 . . . . 45 GLU HB3 . 15058 1 244 . 1 1 45 45 GLU HG2 H 1 2.386 0.005 . 2 . . . . 45 GLU HG2 . 15058 1 245 . 1 1 46 46 THR H H 1 8.243 0.005 . 1 . . . . 46 THR H . 15058 1 246 . 1 1 46 46 THR HA H 1 4.073 0.005 . 1 . . . . 46 THR HA . 15058 1 247 . 1 1 46 46 THR HB H 1 3.775 0.005 . 1 . . . . 46 THR HB . 15058 1 248 . 1 1 46 46 THR HG21 H 1 1.006 0.005 . 1 . . . . 46 THR HG2 . 15058 1 249 . 1 1 46 46 THR HG22 H 1 1.006 0.005 . 1 . . . . 46 THR HG2 . 15058 1 250 . 1 1 46 46 THR HG23 H 1 1.006 0.005 . 1 . . . . 46 THR HG2 . 15058 1 251 . 1 1 47 47 GLY H H 1 9.293 0.005 . 1 . . . . 47 GLY H . 15058 1 252 . 1 1 47 47 GLY HA2 H 1 3.484 0.005 . 1 . . . . 47 GLY HA2 . 15058 1 253 . 1 1 47 47 GLY HA3 H 1 3.733 0.005 . 1 . . . . 47 GLY HA3 . 15058 1 254 . 1 1 48 48 THR H H 1 9.173 0.005 . 1 . . . . 48 THR H . 15058 1 255 . 1 1 48 48 THR HA H 1 3.783 0.005 . 1 . . . . 48 THR HA . 15058 1 256 . 1 1 48 48 THR HB H 1 4.342 0.005 . 1 . . . . 48 THR HB . 15058 1 257 . 1 1 48 48 THR HG21 H 1 1.277 0.005 . 1 . . . . 48 THR HG2 . 15058 1 258 . 1 1 48 48 THR HG22 H 1 1.277 0.005 . 1 . . . . 48 THR HG2 . 15058 1 259 . 1 1 48 48 THR HG23 H 1 1.277 0.005 . 1 . . . . 48 THR HG2 . 15058 1 260 . 1 1 49 49 GLY H H 1 7.826 0.005 . 1 . . . . 49 GLY H . 15058 1 261 . 1 1 49 49 GLY HA2 H 1 3.864 0.005 . 1 . . . . 49 GLY HA2 . 15058 1 262 . 1 1 49 49 GLY HA3 H 1 4.082 0.005 . 1 . . . . 49 GLY HA3 . 15058 1 263 . 1 1 50 50 ALA H H 1 7.388 0.005 . 1 . . . . 50 ALA H . 15058 1 264 . 1 1 50 50 ALA HA H 1 4.349 0.005 . 1 . . . . 50 ALA HA . 15058 1 265 . 1 1 50 50 ALA HB1 H 1 1.616 0.005 . 1 . . . . 50 ALA HB . 15058 1 266 . 1 1 50 50 ALA HB2 H 1 1.616 0.005 . 1 . . . . 50 ALA HB . 15058 1 267 . 1 1 50 50 ALA HB3 H 1 1.616 0.005 . 1 . . . . 50 ALA HB . 15058 1 268 . 1 1 51 51 CYS H H 1 8.393 0.005 . 1 . . . . 51 CYS H . 15058 1 269 . 1 1 51 51 CYS HA H 1 3.464 0.005 . 1 . . . . 51 CYS HA . 15058 1 270 . 1 1 51 51 CYS HB2 H 1 2.403 0.005 . 2 . . . . 51 CYS HB2 . 15058 1 271 . 1 1 52 52 ARG H H 1 8.865 0.005 . 1 . . . . 52 ARG H . 15058 1 272 . 1 1 52 52 ARG HA H 1 4.079 0.005 . 1 . . . . 52 ARG HA . 15058 1 273 . 1 1 52 52 ARG HB2 H 1 1.960 0.005 . 1 . . . . 52 ARG HB2 . 15058 1 274 . 1 1 52 52 ARG HB3 H 1 2.356 0.005 . 1 . . . . 52 ARG HB3 . 15058 1 275 . 1 1 52 52 ARG HG2 H 1 1.516 0.005 . 1 . . . . 52 ARG HG2 . 15058 1 276 . 1 1 52 52 ARG HG3 H 1 2.516 0.005 . 1 . . . . 52 ARG HG3 . 15058 1 277 . 1 1 52 52 ARG HD2 H 1 3.161 0.005 . 2 . . . . 52 ARG HD2 . 15058 1 278 . 1 1 52 52 ARG HE H 1 10.586 0.005 . 1 . . . . 52 ARG HE . 15058 1 279 . 1 1 52 52 ARG HH21 H 1 6.454 0.005 . 2 . . . . 52 ARG HH21 . 15058 1 280 . 1 1 53 53 ALA H H 1 7.853 0.005 . 1 . . . . 53 ALA H . 15058 1 281 . 1 1 53 53 ALA HA H 1 4.180 0.005 . 1 . . . . 53 ALA HA . 15058 1 282 . 1 1 53 53 ALA HB1 H 1 1.532 0.005 . 1 . . . . 53 ALA HB . 15058 1 283 . 1 1 53 53 ALA HB2 H 1 1.532 0.005 . 1 . . . . 53 ALA HB . 15058 1 284 . 1 1 53 53 ALA HB3 H 1 1.532 0.005 . 1 . . . . 53 ALA HB . 15058 1 285 . 1 1 54 54 GLN H H 1 8.044 0.005 . 1 . . . . 54 GLN H . 15058 1 286 . 1 1 54 54 GLN HA H 1 4.179 0.005 . 1 . . . . 54 GLN HA . 15058 1 287 . 1 1 54 54 GLN HB2 H 1 1.830 0.005 . 1 . . . . 54 GLN HB2 . 15058 1 288 . 1 1 54 54 GLN HB3 H 1 2.132 0.005 . 1 . . . . 54 GLN HB3 . 15058 1 289 . 1 1 54 54 GLN HG2 H 1 2.404 0.005 . 2 . . . . 54 GLN HG2 . 15058 1 290 . 1 1 54 54 GLN HE21 H 1 7.059 0.005 . 1 . . . . 54 GLN HE21 . 15058 1 291 . 1 1 54 54 GLN HE22 H 1 7.583 0.005 . 1 . . . . 54 GLN HE22 . 15058 1 292 . 1 1 55 55 ALA H H 1 8.677 0.005 . 1 . . . . 55 ALA H . 15058 1 293 . 1 1 55 55 ALA HA H 1 4.523 0.005 . 1 . . . . 55 ALA HA . 15058 1 294 . 1 1 55 55 ALA HB1 H 1 1.697 0.005 . 1 . . . . 55 ALA HB . 15058 1 295 . 1 1 55 55 ALA HB2 H 1 1.697 0.005 . 1 . . . . 55 ALA HB . 15058 1 296 . 1 1 55 55 ALA HB3 H 1 1.697 0.005 . 1 . . . . 55 ALA HB . 15058 1 297 . 1 1 56 56 PHE H H 1 8.607 0.005 . 1 . . . . 56 PHE H . 15058 1 298 . 1 1 56 56 PHE HA H 1 3.849 0.005 . 1 . . . . 56 PHE HA . 15058 1 299 . 1 1 56 56 PHE HB2 H 1 2.845 0.005 . 1 . . . . 56 PHE HB2 . 15058 1 300 . 1 1 56 56 PHE HB3 H 1 2.295 0.005 . 1 . . . . 56 PHE HB3 . 15058 1 301 . 1 1 56 56 PHE HD1 H 1 6.169 0.005 . 3 . . . . 56 PHE HD1 . 15058 1 302 . 1 1 56 56 PHE HE1 H 1 7.110 0.005 . 3 . . . . 56 PHE HE1 . 15058 1 303 . 1 1 57 57 GLY H H 1 7.919 0.005 . 1 . . . . 57 GLY H . 15058 1 304 . 1 1 57 57 GLY HA2 H 1 3.920 0.005 . 1 . . . . 57 GLY HA2 . 15058 1 305 . 1 1 57 57 GLY HA3 H 1 3.639 0.005 . 1 . . . . 57 GLY HA3 . 15058 1 306 . 1 1 58 58 ASN H H 1 7.734 0.005 . 1 . . . . 58 ASN H . 15058 1 307 . 1 1 58 58 ASN HA H 1 5.036 0.005 . 1 . . . . 58 ASN HA . 15058 1 308 . 1 1 58 58 ASN HB2 H 1 3.241 0.005 . 1 . . . . 58 ASN HB2 . 15058 1 309 . 1 1 58 58 ASN HB3 H 1 3.333 0.005 . 1 . . . . 58 ASN HB3 . 15058 1 310 . 1 1 58 58 ASN HD21 H 1 6.739 0.005 . 1 . . . . 58 ASN HD21 . 15058 1 311 . 1 1 58 58 ASN HD22 H 1 6.972 0.005 . 1 . . . . 58 ASN HD22 . 15058 1 312 . 1 1 59 59 SER H H 1 7.640 0.005 . 1 . . . . 59 SER H . 15058 1 313 . 1 1 59 59 SER HA H 1 4.000 0.005 . 1 . . . . 59 SER HA . 15058 1 314 . 1 1 59 59 SER HB2 H 1 4.086 0.005 . 1 . . . . 59 SER HB2 . 15058 1 315 . 1 1 59 59 SER HB3 H 1 4.046 0.005 . 1 . . . . 59 SER HB3 . 15058 1 316 . 1 1 60 60 CYS H H 1 8.296 0.005 . 1 . . . . 60 CYS H . 15058 1 317 . 1 1 60 60 CYS HA H 1 4.496 0.005 . 1 . . . . 60 CYS HA . 15058 1 318 . 1 1 60 60 CYS HB2 H 1 2.630 0.005 . 1 . . . . 60 CYS HB2 . 15058 1 319 . 1 1 60 60 CYS HB3 H 1 2.852 0.005 . 1 . . . . 60 CYS HB3 . 15058 1 320 . 1 1 61 61 LEU H H 1 9.180 0.005 . 1 . . . . 61 LEU H . 15058 1 321 . 1 1 61 61 LEU HA H 1 4.335 0.005 . 1 . . . . 61 LEU HA . 15058 1 322 . 1 1 61 61 LEU HB2 H 1 1.739 0.005 . 2 . . . . 61 LEU HB2 . 15058 1 323 . 1 1 61 61 LEU HG H 1 1.729 0.005 . 1 . . . . 61 LEU HG . 15058 1 324 . 1 1 61 61 LEU HD11 H 1 0.987 0.005 . 1 . . . . 61 LEU HD1 . 15058 1 325 . 1 1 61 61 LEU HD12 H 1 0.987 0.005 . 1 . . . . 61 LEU HD1 . 15058 1 326 . 1 1 61 61 LEU HD13 H 1 0.987 0.005 . 1 . . . . 61 LEU HD1 . 15058 1 327 . 1 1 61 61 LEU HD21 H 1 1.037 0.005 . 1 . . . . 61 LEU HD2 . 15058 1 328 . 1 1 61 61 LEU HD22 H 1 1.037 0.005 . 1 . . . . 61 LEU HD2 . 15058 1 329 . 1 1 61 61 LEU HD23 H 1 1.037 0.005 . 1 . . . . 61 LEU HD2 . 15058 1 330 . 1 1 62 62 ASN H H 1 7.742 0.005 . 1 . . . . 62 ASN H . 15058 1 331 . 1 1 62 62 ASN HA H 1 5.098 0.005 . 1 . . . . 62 ASN HA . 15058 1 332 . 1 1 62 62 ASN HB2 H 1 2.802 0.005 . 1 . . . . 62 ASN HB2 . 15058 1 333 . 1 1 62 62 ASN HB3 H 1 3.026 0.005 . 1 . . . . 62 ASN HB3 . 15058 1 334 . 1 1 62 62 ASN HD21 H 1 6.881 0.005 . 1 . . . . 62 ASN HD21 . 15058 1 335 . 1 1 62 62 ASN HD22 H 1 6.253 0.005 . 1 . . . . 62 ASN HD22 . 15058 1 336 . 1 1 63 63 TRP H H 1 6.789 0.005 . 1 . . . . 63 TRP H . 15058 1 337 . 1 1 63 63 TRP HA H 1 3.881 0.005 . 1 . . . . 63 TRP HA . 15058 1 338 . 1 1 63 63 TRP HB2 H 1 2.926 0.005 . 2 . . . . 63 TRP HB2 . 15058 1 339 . 1 1 63 63 TRP HD1 H 1 7.711 0.005 . 1 . . . . 63 TRP HD1 . 15058 1 340 . 1 1 63 63 TRP HE1 H 1 10.297 0.005 . 1 . . . . 63 TRP HE1 . 15058 1 341 . 1 1 63 63 TRP HE3 H 1 7.675 0.005 . 1 . . . . 63 TRP HE3 . 15058 1 342 . 1 1 63 63 TRP HZ2 H 1 7.304 0.005 . 1 . . . . 63 TRP HZ2 . 15058 1 343 . 1 1 63 63 TRP HZ3 H 1 6.873 0.005 . 1 . . . . 63 TRP HZ3 . 15058 1 344 . 1 1 63 63 TRP HH2 H 1 6.995 0.005 . 1 . . . . 63 TRP HH2 . 15058 1 stop_ save_