data_35075 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 35075 _Entry.Title ; Solution structure of a chimeric peptide derived from trpzip2 and the disulfide loop of the PilA protein from P. aeruginosa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-07-16 _Entry.Accession_date 2026-07-16 _Entry.Last_release_date 2026-08-14 _Entry.Original_release_date 2026-08-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 M. Sette M. . . . 35075 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'IMMUNE SYSTEM' . 35075 'STRUCTURE FROM CYANA 3.98.15' . 35075 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 35075 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 66 35075 '1H chemical shifts' 153 35075 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 . . 2026-08-19 . original BMRB . 35075 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 32MP 'BMRB Entry Tracking System' 35075 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 35075 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structured peptides as vaccine antigens against infections ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Front. Immunol.' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1664-3224 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2026 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Trappetti C. . . . 35075 1 2 H. 'van Ingen' H. . . . 35075 1 3 M. Falconi M. . . . 35075 1 4 A. Romeo A. . . . 35075 1 5 G. Sancamillo G. . . . 35075 1 6 M. Caprini M. . . . 35075 1 7 M. Oggioni M. R. . . 35075 1 8 M. Sette M. . . . 35075 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 35075 _Assembly.ID 1 _Assembly.Name 'Fimbrial protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 35075 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 35075 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; SWTWENGKWTWKCTSDQDEQ FIPKGC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 26 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3164.460 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Chimeric peptide' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Pilin common 35075 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 35075 1 2 . TRP . 35075 1 3 . THR . 35075 1 4 . TRP . 35075 1 5 . GLU . 35075 1 6 . ASN . 35075 1 7 . GLY . 35075 1 8 . LYS . 35075 1 9 . TRP . 35075 1 10 . THR . 35075 1 11 . TRP . 35075 1 12 . LYS . 35075 1 13 . CYS . 35075 1 14 . THR . 35075 1 15 . SER . 35075 1 16 . ASP . 35075 1 17 . GLN . 35075 1 18 . ASP . 35075 1 19 . GLU . 35075 1 20 . GLN . 35075 1 21 . PHE . 35075 1 22 . ILE . 35075 1 23 . PRO . 35075 1 24 . LYS . 35075 1 25 . GLY . 35075 1 26 . CYS . 35075 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 35075 1 . TRP 2 2 35075 1 . THR 3 3 35075 1 . TRP 4 4 35075 1 . GLU 5 5 35075 1 . ASN 6 6 35075 1 . GLY 7 7 35075 1 . LYS 8 8 35075 1 . TRP 9 9 35075 1 . THR 10 10 35075 1 . TRP 11 11 35075 1 . LYS 12 12 35075 1 . CYS 13 13 35075 1 . THR 14 14 35075 1 . SER 15 15 35075 1 . ASP 16 16 35075 1 . GLN 17 17 35075 1 . ASP 18 18 35075 1 . GLU 19 19 35075 1 . GLN 20 20 35075 1 . PHE 21 21 35075 1 . ILE 22 22 35075 1 . PRO 23 23 35075 1 . LYS 24 24 35075 1 . GLY 25 25 35075 1 . CYS 26 26 35075 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 35075 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . 35075 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 35075 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . 'Chimeric peptide between disulfide loop of PilA protein and trpzip2 peptide' 35075 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 35075 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.69 mM No labelling trpzip2PAK, 90% H2O/10% D2O' _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 trpzip2PAK 'natural abundance' . . 1 $entity_1 . . 0.69 . . mM . . . . 35075 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 35075 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 'ionic strength' 28.68 . mM 35075 1 pH 6.1 . pH 35075 1 pressure 1 . atm 35075 1 temperature 308 . K 35075 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 35075 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 35075 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 35075 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 35075 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard-Markley . . 35075 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 35075 2 'peak picking' . 35075 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 35075 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 35075 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 35075 3 'structure calculation' . 35075 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 35075 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 35075 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 900 . . . 35075 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 35075 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35075 1 2 '2D NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35075 1 3 '2D 13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35075 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 35075 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.251449530 . . . . . 35075 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 35075 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 35075 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 TOCSY' . . . 35075 1 2 '2D NOESY' . . . 35075 1 3 '2D 13C HSQC' . . . 35075 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 SER HA H 1 3.484 0.002 . 1 . . . . A 1 SER HA . 35075 1 2 . 1 . 1 1 1 SER HB2 H 1 3.840 0.001 . 1 . . . . A 1 SER HB2 . 35075 1 3 . 1 . 1 1 1 SER HB3 H 1 3.784 0.003 . 1 . . . . A 1 SER HB3 . 35075 1 4 . 1 . 1 1 1 SER CA C 13 57.350 0.000 . 1 . . . . A 1 SER CA . 35075 1 5 . 1 . 1 1 1 SER CB C 13 62.609 0.002 . 1 . . . . A 1 SER CB . 35075 1 6 . 1 . 1 2 2 TRP H H 1 8.748 0.001 . 1 . . . . A 2 TRP H . 35075 1 7 . 1 . 1 2 2 TRP HA H 1 5.219 0.003 . 1 . . . . A 2 TRP HA . 35075 1 8 . 1 . 1 2 2 TRP HB2 H 1 3.010 0.002 . 1 . . . . A 2 TRP HB2 . 35075 1 9 . 1 . 1 2 2 TRP HB3 H 1 3.096 0.002 . 1 . . . . A 2 TRP HB3 . 35075 1 10 . 1 . 1 2 2 TRP HD1 H 1 7.301 0.004 . 1 . . . . A 2 TRP HD1 . 35075 1 11 . 1 . 1 2 2 TRP HE1 H 1 9.921 0.000 . 1 . . . . A 2 TRP HE1 . 35075 1 12 . 1 . 1 2 2 TRP CA C 13 57.358 0.000 . 1 . . . . A 2 TRP CA . 35075 1 13 . 1 . 1 2 2 TRP CB C 13 31.078 0.001 . 1 . . . . A 2 TRP CB . 35075 1 14 . 1 . 1 3 3 THR H H 1 9.476 0.002 . 1 . . . . A 3 THR H . 35075 1 15 . 1 . 1 3 3 THR HA H 1 4.871 0.002 . 1 . . . . A 3 THR HA . 35075 1 16 . 1 . 1 3 3 THR HB H 1 4.012 0.002 . 1 . . . . A 3 THR HB . 35075 1 17 . 1 . 1 3 3 THR HG21 H 1 1.115 0.002 . 1 . . . . A 3 THR HG21 . 35075 1 18 . 1 . 1 3 3 THR HG22 H 1 1.115 0.002 . 1 . . . . A 3 THR HG22 . 35075 1 19 . 1 . 1 3 3 THR HG23 H 1 1.115 0.002 . 1 . . . . A 3 THR HG23 . 35075 1 20 . 1 . 1 3 3 THR CA C 13 60.982 0.000 . 1 . . . . A 3 THR CA . 35075 1 21 . 1 . 1 3 3 THR CB C 13 71.707 0.000 . 1 . . . . A 3 THR CB . 35075 1 22 . 1 . 1 3 3 THR CG2 C 13 21.067 0.000 . 1 . . . . A 3 THR CG2 . 35075 1 23 . 1 . 1 4 4 TRP H H 1 8.673 0.002 . 1 . . . . A 4 TRP H . 35075 1 24 . 1 . 1 4 4 TRP HA H 1 4.658 0.004 . 1 . . . . A 4 TRP HA . 35075 1 25 . 1 . 1 4 4 TRP HB2 H 1 2.923 0.002 . 1 . . . . A 4 TRP HB2 . 35075 1 26 . 1 . 1 4 4 TRP HB3 H 1 2.046 0.003 . 1 . . . . A 4 TRP HB3 . 35075 1 27 . 1 . 1 4 4 TRP HD1 H 1 6.775 0.003 . 1 . . . . A 4 TRP HD1 . 35075 1 28 . 1 . 1 4 4 TRP HE1 H 1 9.814 0.001 . 1 . . . . A 4 TRP HE1 . 35075 1 29 . 1 . 1 4 4 TRP CB C 13 28.928 0.001 . 1 . . . . A 4 TRP CB . 35075 1 30 . 1 . 1 5 5 GLU H H 1 8.428 0.002 . 1 . . . . A 5 GLU H . 35075 1 31 . 1 . 1 5 5 GLU HA H 1 4.329 0.002 . 1 . . . . A 5 GLU HA . 35075 1 32 . 1 . 1 5 5 GLU HB2 H 1 1.749 0.002 . 1 . . . . A 5 GLU HB2 . 35075 1 33 . 1 . 1 5 5 GLU HB3 H 1 1.897 0.002 . 1 . . . . A 5 GLU HB3 . 35075 1 34 . 1 . 1 5 5 GLU HG2 H 1 2.048 0.002 . 1 . . . . A 5 GLU HG2 . 35075 1 35 . 1 . 1 5 5 GLU HG3 H 1 2.117 0.003 . 1 . . . . A 5 GLU HG3 . 35075 1 36 . 1 . 1 5 5 GLU CA C 13 55.486 0.000 . 1 . . . . A 5 GLU CA . 35075 1 37 . 1 . 1 5 5 GLU CB C 13 32.310 0.002 . 1 . . . . A 5 GLU CB . 35075 1 38 . 1 . 1 5 5 GLU CG C 13 35.741 0.001 . 1 . . . . A 5 GLU CG . 35075 1 39 . 1 . 1 6 6 ASN H H 1 8.977 0.001 . 1 . . . . A 6 ASN H . 35075 1 40 . 1 . 1 6 6 ASN HA H 1 4.165 0.002 . 1 . . . . A 6 ASN HA . 35075 1 41 . 1 . 1 6 6 ASN HB2 H 1 2.607 0.003 . 2 . . . . A 6 ASN HB2 . 35075 1 42 . 1 . 1 6 6 ASN HB3 H 1 2.912 0.003 . 2 . . . . A 6 ASN HB3 . 35075 1 43 . 1 . 1 6 6 ASN CA C 13 54.057 0.000 . 1 . . . . A 6 ASN CA . 35075 1 44 . 1 . 1 6 6 ASN CB C 13 37.605 0.000 . 1 . . . . A 6 ASN CB . 35075 1 45 . 1 . 1 7 7 GLY H H 1 7.380 0.001 . 1 . . . . A 7 GLY H . 35075 1 46 . 1 . 1 7 7 GLY HA2 H 1 3.238 0.004 . 1 . . . . A 7 GLY HA2 . 35075 1 47 . 1 . 1 7 7 GLY HA3 H 1 3.828 0.001 . 1 . . . . A 7 GLY HA3 . 35075 1 48 . 1 . 1 7 7 GLY CA C 13 45.869 0.001 . 1 . . . . A 7 GLY CA . 35075 1 49 . 1 . 1 8 8 LYS H H 1 6.839 0.003 . 1 . . . . A 8 LYS H . 35075 1 50 . 1 . 1 8 8 LYS HA H 1 4.261 0.003 . 1 . . . . A 8 LYS HA . 35075 1 51 . 1 . 1 8 8 LYS HB2 H 1 1.636 0.003 . 1 . . . . A 8 LYS HB2 . 35075 1 52 . 1 . 1 8 8 LYS HB3 H 1 1.708 0.002 . 1 . . . . A 8 LYS HB3 . 35075 1 53 . 1 . 1 8 8 LYS HG2 H 1 1.196 0.003 . 1 . . . . A 8 LYS HG2 . 35075 1 54 . 1 . 1 8 8 LYS HG3 H 1 1.261 0.001 . 1 . . . . A 8 LYS HG3 . 35075 1 55 . 1 . 1 8 8 LYS HD2 H 1 1.503 0.006 . 2 . . . . A 8 LYS HD2 . 35075 1 56 . 1 . 1 8 8 LYS HD3 H 1 1.503 0.006 . 2 . . . . A 8 LYS HD3 . 35075 1 57 . 1 . 1 8 8 LYS HE2 H 1 2.994 0.002 . 2 . . . . A 8 LYS HE2 . 35075 1 58 . 1 . 1 8 8 LYS HE3 H 1 2.994 0.002 . 2 . . . . A 8 LYS HE3 . 35075 1 59 . 1 . 1 8 8 LYS CA C 13 54.659 0.000 . 1 . . . . A 8 LYS CA . 35075 1 60 . 1 . 1 8 8 LYS CB C 13 35.413 0.000 . 1 . . . . A 8 LYS CB . 35075 1 61 . 1 . 1 8 8 LYS CG C 13 23.563 0.003 . 1 . . . . A 8 LYS CG . 35075 1 62 . 1 . 1 8 8 LYS CD C 13 28.832 0.000 . 1 . . . . A 8 LYS CD . 35075 1 63 . 1 . 1 8 8 LYS CE C 13 42.340 0.000 . 1 . . . . A 8 LYS CE . 35075 1 64 . 1 . 1 9 9 TRP H H 1 8.501 0.001 . 1 . . . . A 9 TRP H . 35075 1 65 . 1 . 1 9 9 TRP HA H 1 5.149 0.002 . 1 . . . . A 9 TRP HA . 35075 1 66 . 1 . 1 9 9 TRP HB2 H 1 2.943 0.004 . 1 . . . . A 9 TRP HB2 . 35075 1 67 . 1 . 1 9 9 TRP HB3 H 1 3.247 0.003 . 1 . . . . A 9 TRP HB3 . 35075 1 68 . 1 . 1 9 9 TRP HD1 H 1 7.220 0.003 . 1 . . . . A 9 TRP HD1 . 35075 1 69 . 1 . 1 9 9 TRP HE1 H 1 9.720 0.002 . 1 . . . . A 9 TRP HE1 . 35075 1 70 . 1 . 1 9 9 TRP CA C 13 57.318 0.000 . 1 . . . . A 9 TRP CA . 35075 1 71 . 1 . 1 9 9 TRP CB C 13 30.081 0.005 . 1 . . . . A 9 TRP CB . 35075 1 72 . 1 . 1 10 10 THR H H 1 9.697 0.002 . 1 . . . . A 10 THR H . 35075 1 73 . 1 . 1 10 10 THR HA H 1 4.877 0.003 . 1 . . . . A 10 THR HA . 35075 1 74 . 1 . 1 10 10 THR HB H 1 4.024 0.003 . 1 . . . . A 10 THR HB . 35075 1 75 . 1 . 1 10 10 THR HG21 H 1 1.167 0.002 . 1 . . . . A 10 THR HG21 . 35075 1 76 . 1 . 1 10 10 THR HG22 H 1 1.167 0.002 . 1 . . . . A 10 THR HG22 . 35075 1 77 . 1 . 1 10 10 THR HG23 H 1 1.167 0.002 . 1 . . . . A 10 THR HG23 . 35075 1 78 . 1 . 1 10 10 THR CA C 13 61.765 0.000 . 1 . . . . A 10 THR CA . 35075 1 79 . 1 . 1 10 10 THR CB C 13 71.963 0.000 . 1 . . . . A 10 THR CB . 35075 1 80 . 1 . 1 10 10 THR CG2 C 13 21.037 0.000 . 1 . . . . A 10 THR CG2 . 35075 1 81 . 1 . 1 11 11 TRP H H 1 8.793 0.001 . 1 . . . . A 11 TRP H . 35075 1 82 . 1 . 1 11 11 TRP HA H 1 4.354 0.002 . 1 . . . . A 11 TRP HA . 35075 1 83 . 1 . 1 11 11 TRP HB2 H 1 1.968 0.004 . 1 . . . . A 11 TRP HB2 . 35075 1 84 . 1 . 1 11 11 TRP HB3 H 1 2.764 0.002 . 1 . . . . A 11 TRP HB3 . 35075 1 85 . 1 . 1 11 11 TRP HD1 H 1 6.728 0.003 . 1 . . . . A 11 TRP HD1 . 35075 1 86 . 1 . 1 11 11 TRP HE1 H 1 9.779 0.001 . 1 . . . . A 11 TRP HE1 . 35075 1 87 . 1 . 1 11 11 TRP CA C 13 56.724 0.000 . 1 . . . . A 11 TRP CA . 35075 1 88 . 1 . 1 11 11 TRP CB C 13 28.867 0.035 . 1 . . . . A 11 TRP CB . 35075 1 89 . 1 . 1 12 12 LYS H H 1 7.660 0.002 . 1 . . . . A 12 LYS H . 35075 1 90 . 1 . 1 12 12 LYS HA H 1 4.290 0.002 . 1 . . . . A 12 LYS HA . 35075 1 91 . 1 . 1 12 12 LYS HB2 H 1 1.379 0.002 . 1 . . . . A 12 LYS HB2 . 35075 1 92 . 1 . 1 12 12 LYS HB3 H 1 1.512 0.003 . 1 . . . . A 12 LYS HB3 . 35075 1 93 . 1 . 1 12 12 LYS HG2 H 1 1.154 0.002 . 1 . . . . A 12 LYS HG2 . 35075 1 94 . 1 . 1 12 12 LYS HG3 H 1 1.212 0.002 . 1 . . . . A 12 LYS HG3 . 35075 1 95 . 1 . 1 12 12 LYS HD2 H 1 1.524 0.000 . 2 . . . . A 12 LYS HD2 . 35075 1 96 . 1 . 1 12 12 LYS HD3 H 1 1.524 0.000 . 2 . . . . A 12 LYS HD3 . 35075 1 97 . 1 . 1 12 12 LYS HE2 H 1 2.797 0.005 . 1 . . . . A 12 LYS HE2 . 35075 1 98 . 1 . 1 12 12 LYS HE3 H 1 2.822 0.003 . 1 . . . . A 12 LYS HE3 . 35075 1 99 . 1 . 1 12 12 LYS CA C 13 54.236 0.000 . 1 . . . . A 12 LYS CA . 35075 1 100 . 1 . 1 12 12 LYS CB C 13 34.652 0.000 . 1 . . . . A 12 LYS CB . 35075 1 101 . 1 . 1 12 12 LYS CG C 13 24.539 0.008 . 1 . . . . A 12 LYS CG . 35075 1 102 . 1 . 1 12 12 LYS CD C 13 28.837 0.000 . 1 . . . . A 12 LYS CD . 35075 1 103 . 1 . 1 12 12 LYS CE C 13 42.047 0.004 . 1 . . . . A 12 LYS CE . 35075 1 104 . 1 . 1 13 13 CYS H H 1 8.544 0.001 . 1 . . . . A 13 CYS H . 35075 1 105 . 1 . 1 13 13 CYS HA H 1 4.487 0.001 . 1 . . . . A 13 CYS HA . 35075 1 106 . 1 . 1 13 13 CYS HB2 H 1 2.988 0.002 . 2 . . . . A 13 CYS HB2 . 35075 1 107 . 1 . 1 13 13 CYS HB3 H 1 3.172 0.002 . 2 . . . . A 13 CYS HB3 . 35075 1 108 . 1 . 1 13 13 CYS CA C 13 55.819 0.000 . 1 . . . . A 13 CYS CA . 35075 1 109 . 1 . 1 13 13 CYS CB C 13 41.269 0.005 . 1 . . . . A 13 CYS CB . 35075 1 110 . 1 . 1 14 14 THR H H 1 8.170 0.001 . 1 . . . . A 14 THR H . 35075 1 111 . 1 . 1 14 14 THR HA H 1 4.424 0.000 . 1 . . . . A 14 THR HA . 35075 1 112 . 1 . 1 14 14 THR HB H 1 4.232 0.010 . 1 . . . . A 14 THR HB . 35075 1 113 . 1 . 1 14 14 THR HG21 H 1 1.077 0.002 . 1 . . . . A 14 THR HG21 . 35075 1 114 . 1 . 1 14 14 THR HG22 H 1 1.077 0.002 . 1 . . . . A 14 THR HG22 . 35075 1 115 . 1 . 1 14 14 THR HG23 H 1 1.077 0.002 . 1 . . . . A 14 THR HG23 . 35075 1 116 . 1 . 1 14 14 THR CA C 13 61.384 0.000 . 1 . . . . A 14 THR CA . 35075 1 117 . 1 . 1 14 14 THR CB C 13 70.212 0.000 . 1 . . . . A 14 THR CB . 35075 1 118 . 1 . 1 14 14 THR CG2 C 13 21.743 0.000 . 1 . . . . A 14 THR CG2 . 35075 1 119 . 1 . 1 15 15 SER H H 1 8.341 0.001 . 1 . . . . A 15 SER H . 35075 1 120 . 1 . 1 15 15 SER HA H 1 4.514 0.001 . 1 . . . . A 15 SER HA . 35075 1 121 . 1 . 1 15 15 SER HB2 H 1 3.829 0.003 . 2 . . . . A 15 SER HB2 . 35075 1 122 . 1 . 1 15 15 SER HB3 H 1 3.905 0.002 . 2 . . . . A 15 SER HB3 . 35075 1 123 . 1 . 1 15 15 SER CA C 13 58.244 0.000 . 1 . . . . A 15 SER CA . 35075 1 124 . 1 . 1 15 15 SER CB C 13 64.204 0.016 . 1 . . . . A 15 SER CB . 35075 1 125 . 1 . 1 16 16 ASP H H 1 8.387 0.001 . 1 . . . . A 16 ASP H . 35075 1 126 . 1 . 1 16 16 ASP HA H 1 4.595 0.000 . 1 . . . . A 16 ASP HA . 35075 1 127 . 1 . 1 16 16 ASP HB2 H 1 2.699 0.006 . 2 . . . . A 16 ASP HB2 . 35075 1 128 . 1 . 1 16 16 ASP HB3 H 1 2.699 0.006 . 2 . . . . A 16 ASP HB3 . 35075 1 129 . 1 . 1 16 16 ASP CB C 13 40.785 0.000 . 1 . . . . A 16 ASP CB . 35075 1 130 . 1 . 1 17 17 GLN H H 1 8.237 0.003 . 1 . . . . A 17 GLN H . 35075 1 131 . 1 . 1 17 17 GLN HA H 1 4.287 0.002 . 1 . . . . A 17 GLN HA . 35075 1 132 . 1 . 1 17 17 GLN HB2 H 1 1.984 0.002 . 1 . . . . A 17 GLN HB2 . 35075 1 133 . 1 . 1 17 17 GLN HB3 H 1 2.143 0.005 . 1 . . . . A 17 GLN HB3 . 35075 1 134 . 1 . 1 17 17 GLN HG2 H 1 2.345 0.002 . 2 . . . . A 17 GLN HG2 . 35075 1 135 . 1 . 1 17 17 GLN HG3 H 1 2.345 0.002 . 2 . . . . A 17 GLN HG3 . 35075 1 136 . 1 . 1 17 17 GLN CA C 13 56.448 0.000 . 1 . . . . A 17 GLN CA . 35075 1 137 . 1 . 1 17 17 GLN CB C 13 29.514 0.017 . 1 . . . . A 17 GLN CB . 35075 1 138 . 1 . 1 17 17 GLN CG C 13 33.949 0.000 . 1 . . . . A 17 GLN CG . 35075 1 139 . 1 . 1 18 18 ASP H H 1 8.223 0.001 . 1 . . . . A 18 ASP H . 35075 1 140 . 1 . 1 18 18 ASP HA H 1 4.624 0.001 . 1 . . . . A 18 ASP HA . 35075 1 141 . 1 . 1 18 18 ASP HB2 H 1 2.733 0.006 . 2 . . . . A 18 ASP HB2 . 35075 1 142 . 1 . 1 18 18 ASP HB3 H 1 2.802 0.002 . 2 . . . . A 18 ASP HB3 . 35075 1 143 . 1 . 1 18 18 ASP CB C 13 41.075 0.006 . 1 . . . . A 18 ASP CB . 35075 1 144 . 1 . 1 19 19 GLU H H 1 8.165 0.002 . 1 . . . . A 19 GLU H . 35075 1 145 . 1 . 1 19 19 GLU HA H 1 4.218 0.003 . 1 . . . . A 19 GLU HA . 35075 1 146 . 1 . 1 19 19 GLU HB2 H 1 1.938 0.004 . 2 . . . . A 19 GLU HB2 . 35075 1 147 . 1 . 1 19 19 GLU HB3 H 1 2.054 0.003 . 2 . . . . A 19 GLU HB3 . 35075 1 148 . 1 . 1 19 19 GLU HG2 H 1 2.312 0.003 . 2 . . . . A 19 GLU HG2 . 35075 1 149 . 1 . 1 19 19 GLU HG3 H 1 2.312 0.003 . 2 . . . . A 19 GLU HG3 . 35075 1 150 . 1 . 1 19 19 GLU CA C 13 56.997 0.000 . 1 . . . . A 19 GLU CA . 35075 1 151 . 1 . 1 19 19 GLU CB C 13 29.612 0.006 . 1 . . . . A 19 GLU CB . 35075 1 152 . 1 . 1 19 19 GLU CG C 13 35.251 0.000 . 1 . . . . A 19 GLU CG . 35075 1 153 . 1 . 1 20 20 GLN H H 1 8.266 0.001 . 1 . . . . A 20 GLN H . 35075 1 154 . 1 . 1 20 20 GLN HA H 1 4.149 0.002 . 1 . . . . A 20 GLN HA . 35075 1 155 . 1 . 1 20 20 GLN HB2 H 1 1.858 0.003 . 1 . . . . A 20 GLN HB2 . 35075 1 156 . 1 . 1 20 20 GLN HB3 H 1 1.911 0.001 . 1 . . . . A 20 GLN HB3 . 35075 1 157 . 1 . 1 20 20 GLN HG2 H 1 2.110 0.003 . 2 . . . . A 20 GLN HG2 . 35075 1 158 . 1 . 1 20 20 GLN HG3 H 1 2.162 0.003 . 2 . . . . A 20 GLN HG3 . 35075 1 159 . 1 . 1 20 20 GLN CA C 13 56.630 0.000 . 1 . . . . A 20 GLN CA . 35075 1 160 . 1 . 1 20 20 GLN CB C 13 29.245 0.025 . 1 . . . . A 20 GLN CB . 35075 1 161 . 1 . 1 20 20 GLN CG C 13 33.890 0.004 . 1 . . . . A 20 GLN CG . 35075 1 162 . 1 . 1 21 21 PHE H H 1 7.918 0.001 . 1 . . . . A 21 PHE H . 35075 1 163 . 1 . 1 21 21 PHE HA H 1 4.579 0.000 . 1 . . . . A 21 PHE HA . 35075 1 164 . 1 . 1 21 21 PHE HB2 H 1 2.989 0.003 . 1 . . . . A 21 PHE HB2 . 35075 1 165 . 1 . 1 21 21 PHE HB3 H 1 3.087 0.002 . 1 . . . . A 21 PHE HB3 . 35075 1 166 . 1 . 1 21 21 PHE HD1 H 1 7.147 0.003 . 1 . . . . A 21 PHE HD1 . 35075 1 167 . 1 . 1 21 21 PHE HD2 H 1 7.147 0.003 . 1 . . . . A 21 PHE HD2 . 35075 1 168 . 1 . 1 21 21 PHE CB C 13 39.489 0.009 . 1 . . . . A 21 PHE CB . 35075 1 169 . 1 . 1 22 22 ILE H H 1 7.779 0.001 . 1 . . . . A 22 ILE H . 35075 1 170 . 1 . 1 22 22 ILE HA H 1 4.302 0.003 . 1 . . . . A 22 ILE HA . 35075 1 171 . 1 . 1 22 22 ILE HB H 1 1.734 0.002 . 1 . . . . A 22 ILE HB . 35075 1 172 . 1 . 1 22 22 ILE HG12 H 1 1.371 0.002 . 2 . . . . A 22 ILE HG12 . 35075 1 173 . 1 . 1 22 22 ILE HG13 H 1 1.023 0.003 . 2 . . . . A 22 ILE HG13 . 35075 1 174 . 1 . 1 22 22 ILE HG21 H 1 0.811 0.002 . 1 . . . . A 22 ILE HG21 . 35075 1 175 . 1 . 1 22 22 ILE HG22 H 1 0.811 0.002 . 1 . . . . A 22 ILE HG22 . 35075 1 176 . 1 . 1 22 22 ILE HG23 H 1 0.811 0.002 . 1 . . . . A 22 ILE HG23 . 35075 1 177 . 1 . 1 22 22 ILE HD11 H 1 0.762 0.003 . 1 . . . . A 22 ILE HD11 . 35075 1 178 . 1 . 1 22 22 ILE HD12 H 1 0.762 0.003 . 1 . . . . A 22 ILE HD12 . 35075 1 179 . 1 . 1 22 22 ILE HD13 H 1 0.762 0.003 . 1 . . . . A 22 ILE HD13 . 35075 1 180 . 1 . 1 22 22 ILE CA C 13 58.638 0.000 . 1 . . . . A 22 ILE CA . 35075 1 181 . 1 . 1 22 22 ILE CB C 13 38.781 0.000 . 1 . . . . A 22 ILE CB . 35075 1 182 . 1 . 1 22 22 ILE CG1 C 13 27.074 0.003 . 1 . . . . A 22 ILE CG1 . 35075 1 183 . 1 . 1 22 22 ILE CG2 C 13 17.313 0.000 . 1 . . . . A 22 ILE CG2 . 35075 1 184 . 1 . 1 22 22 ILE CD1 C 13 12.824 0.000 . 1 . . . . A 22 ILE CD1 . 35075 1 185 . 1 . 1 23 23 PRO HA H 1 4.283 0.002 . 1 . . . . A 23 PRO HA . 35075 1 186 . 1 . 1 23 23 PRO HB2 H 1 1.822 0.001 . 2 . . . . A 23 PRO HB2 . 35075 1 187 . 1 . 1 23 23 PRO HB3 H 1 2.161 0.002 . 2 . . . . A 23 PRO HB3 . 35075 1 188 . 1 . 1 23 23 PRO HG2 H 1 1.822 0.000 . 2 . . . . A 23 PRO HG2 . 35075 1 189 . 1 . 1 23 23 PRO HG3 H 1 1.872 0.000 . 2 . . . . A 23 PRO HG3 . 35075 1 190 . 1 . 1 23 23 PRO HD2 H 1 3.588 0.001 . 1 . . . . A 23 PRO HD2 . 35075 1 191 . 1 . 1 23 23 PRO HD3 H 1 3.433 0.003 . 1 . . . . A 23 PRO HD3 . 35075 1 192 . 1 . 1 23 23 PRO CA C 13 63.426 0.000 . 1 . . . . A 23 PRO CA . 35075 1 193 . 1 . 1 23 23 PRO CB C 13 31.974 0.007 . 1 . . . . A 23 PRO CB . 35075 1 194 . 1 . 1 23 23 PRO CG C 13 27.436 0.006 . 1 . . . . A 23 PRO CG . 35075 1 195 . 1 . 1 23 23 PRO CD C 13 50.915 0.008 . 1 . . . . A 23 PRO CD . 35075 1 196 . 1 . 1 24 24 LYS H H 1 8.123 0.001 . 1 . . . . A 24 LYS H . 35075 1 197 . 1 . 1 24 24 LYS HA H 1 4.242 0.003 . 1 . . . . A 24 LYS HA . 35075 1 198 . 1 . 1 24 24 LYS HB2 H 1 1.740 0.002 . 2 . . . . A 24 LYS HB2 . 35075 1 199 . 1 . 1 24 24 LYS HB3 H 1 1.802 0.001 . 2 . . . . A 24 LYS HB3 . 35075 1 200 . 1 . 1 24 24 LYS HG2 H 1 1.378 0.004 . 2 . . . . A 24 LYS HG2 . 35075 1 201 . 1 . 1 24 24 LYS HG3 H 1 1.416 0.002 . 2 . . . . A 24 LYS HG3 . 35075 1 202 . 1 . 1 24 24 LYS HD2 H 1 1.635 0.001 . 2 . . . . A 24 LYS HD2 . 35075 1 203 . 1 . 1 24 24 LYS HD3 H 1 1.635 0.001 . 2 . . . . A 24 LYS HD3 . 35075 1 204 . 1 . 1 24 24 LYS HE2 H 1 2.949 0.001 . 2 . . . . A 24 LYS HE2 . 35075 1 205 . 1 . 1 24 24 LYS HE3 H 1 2.949 0.001 . 2 . . . . A 24 LYS HE3 . 35075 1 206 . 1 . 1 24 24 LYS CA C 13 56.487 0.000 . 1 . . . . A 24 LYS CA . 35075 1 207 . 1 . 1 24 24 LYS CB C 13 32.962 0.013 . 1 . . . . A 24 LYS CB . 35075 1 208 . 1 . 1 24 24 LYS CG C 13 24.762 0.001 . 1 . . . . A 24 LYS CG . 35075 1 209 . 1 . 1 24 24 LYS CD C 13 29.171 0.000 . 1 . . . . A 24 LYS CD . 35075 1 210 . 1 . 1 24 24 LYS CE C 13 42.228 0.000 . 1 . . . . A 24 LYS CE . 35075 1 211 . 1 . 1 25 25 GLY H H 1 8.316 0.002 . 1 . . . . A 25 GLY H . 35075 1 212 . 1 . 1 25 25 GLY HA2 H 1 3.903 0.003 . 2 . . . . A 25 GLY HA2 . 35075 1 213 . 1 . 1 25 25 GLY HA3 H 1 3.986 0.002 . 2 . . . . A 25 GLY HA3 . 35075 1 214 . 1 . 1 25 25 GLY CA C 13 45.526 0.010 . 1 . . . . A 25 GLY CA . 35075 1 215 . 1 . 1 26 26 CYS H H 1 7.893 0.001 . 1 . . . . A 26 CYS H . 35075 1 216 . 1 . 1 26 26 CYS HA H 1 4.580 0.001 . 1 . . . . A 26 CYS HA . 35075 1 217 . 1 . 1 26 26 CYS HB2 H 1 3.087 0.002 . 2 . . . . A 26 CYS HB2 . 35075 1 218 . 1 . 1 26 26 CYS HB3 H 1 3.316 0.001 . 2 . . . . A 26 CYS HB3 . 35075 1 219 . 1 . 1 26 26 CYS CB C 13 43.041 0.021 . 1 . . . . A 26 CYS CB . 35075 1 stop_ save_