data_25505 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25505 _Entry.Title ; CCR5-ECL2 helical structure, residues Q186-T195. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-26 _Entry.Accession_date 2015-02-26 _Entry.Last_release_date 2015-04-20 _Entry.Original_release_date 2015-04-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; CCR5 ECL2 peptides inhibit HIV-1 infection. The structure of an elongated ECL2 peptide was determined using triple resonance approach by NMR. A helical structure was found at the C-terminal segment of this peptide, residues Q186-T195. ; _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 Meital Abayev . . . . 25505 2 Jacob Anglister . . . . 25505 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' . 25505 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CCR5 . 25505 ECL2 . 25505 Helical . 25505 TM5 . 25505 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25505 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 30 25505 '15N chemical shifts' 10 25505 '1H chemical shifts' 20 25505 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-08-30 2015-02-26 update BMRB 'update entry citation' 25505 1 . . 2015-04-20 2015-02-26 original author 'original release' 25505 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MZX 'BMRB Entry Tracking System' 25505 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25505 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25703038 _Citation.Full_citation . _Citation.Title ; An extended CCR5 ECL2 peptide forms a helix that binds HIV-1 gp120 through non-specific hydrophobic interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1906 _Citation.Page_last 1921 _Citation.Year 2015 _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 Jacob Anglister . . . . 25505 1 2 Meital Abayev . . . . 25505 1 3 Adi Moseri . . . . 25505 1 4 Oren Tchaicheeyan . . . . 25505 1 5 Naama Kessler . . . . 25505 1 6 Boris Arshava . . . . 25505 1 7 Fred Naider . . . . 25505 1 8 Tali Scherf . . . . 25505 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25505 _Assembly.ID 1 _Assembly.Name 'CCR5-ECL2 helical structure, residues Q186-T195' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25505 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25505 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; QYQFWKNFQT ; _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 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1390.537 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 186 GLN . 25505 1 2 187 TYR . 25505 1 3 188 GLN . 25505 1 4 189 PHE . 25505 1 5 190 TRP . 25505 1 6 191 LYS . 25505 1 7 192 ASN . 25505 1 8 193 PHE . 25505 1 9 194 GLN . 25505 1 10 195 THR . 25505 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 . GLN 1 1 25505 1 . TYR 2 2 25505 1 . GLN 3 3 25505 1 . PHE 4 4 25505 1 . TRP 5 5 25505 1 . LYS 6 6 25505 1 . ASN 7 7 25505 1 . PHE 8 8 25505 1 . GLN 9 9 25505 1 . THR 10 10 25505 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 25505 _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 . 562 organism . 'Escherichia coli' E.coli . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25505 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 25505 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . Pet24a . . . 25505 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25505 _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 entity '[U-99% 2H]' . . 1 $entity . . 20 . . mM . . . . 25505 1 2 Thiomersal 'natural abundance' . . . . . . 0.005 . . '% v/v' . . . . 25505 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25505 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25505 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 25505 _Sample_condition_list.ID 1 _Sample_condition_list.Details '1mM ECL2s:GSGS-RSQ KEGLHYTSSSHFPYSQYQFWKNFQTLK-GSGS' 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' 0 . mM 25505 1 pH 4.8 . pH 25505 1 pressure 1 . atm 25505 1 temperature 277 . K 25505 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25505 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version 2.31 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25505 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25505 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25505 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25505 _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 . 800 . . . 25505 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 25505 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25505 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25505 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25505 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25505 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25505 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25505 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25505 1 8 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25505 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25505 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 25505 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 1 TSP 'methyl protons' . . . . ppm 0.00 na indirect 0.1932576 . . . . . 25505 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25505 1 N 1 TSP 'methyl protons' . . . . ppm 0.00 na indirect 0.07684768 . . . . . 25505 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25505 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 25505 1 2 '3D HNCACB' . . . 25505 1 5 '2D 1H-15N HSQC' . . . 25505 1 9 '3D HNCO' . . . 25505 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 GLN HA H 1 4.24 0.01 . 1 . . . A 186 GLN HA . 25505 1 2 . 1 1 1 1 GLN H H 1 8.41 0.01 . 1 . . . A 186 GLN H1 . 25505 1 3 . 1 1 1 1 GLN C C 13 174.909 0.001 . 1 . . . A 186 GLN C . 25505 1 4 . 1 1 1 1 GLN CA C 13 56.746 0.001 . 1 . . . A 186 GLN CA . 25505 1 5 . 1 1 1 1 GLN CB C 13 28.993 0.001 . 1 . . . A 186 GLN CB . 25505 1 6 . 1 1 1 1 GLN N N 15 120.690 0.001 . 1 . . . A 186 GLN N . 25505 1 7 . 1 1 2 2 TYR H H 1 8.10 0.01 . 1 . . . A 187 TYR H . 25505 1 8 . 1 1 2 2 TYR HA H 1 4.34 0.01 . 1 . . . A 187 TYR HA . 25505 1 9 . 1 1 2 2 TYR C C 13 176.2183 0.001 . 1 . . . A 187 TYR C . 25505 1 10 . 1 1 2 2 TYR CA C 13 58.970 0.001 . 1 . . . A 187 TYR CA . 25505 1 11 . 1 1 2 2 TYR CB C 13 38.401 0.001 . 1 . . . A 187 TYR CB . 25505 1 12 . 1 1 2 2 TYR N N 15 120.720 0.001 . 1 . . . A 187 TYR N . 25505 1 13 . 1 1 3 3 GLN H H 1 8.17 0.01 . 1 . . . A 188 GLN H . 25505 1 14 . 1 1 3 3 GLN HA H 1 3.91 0.01 . 1 . . . A 188 GLN HA . 25505 1 15 . 1 1 3 3 GLN C C 13 176.288 0.001 . 1 . . . A 188 GLN C . 25505 1 16 . 1 1 3 3 GLN CA C 13 56.7819 0.001 . 1 . . . A 188 GLN CA . 25505 1 17 . 1 1 3 3 GLN CB C 13 28.607 0.001 . 1 . . . A 188 GLN CB . 25505 1 18 . 1 1 3 3 GLN N N 15 120.417 0.001 . 1 . . . A 188 GLN N . 25505 1 19 . 1 1 4 4 PHE H H 1 7.96 0.01 . 1 . . . A 189 PHE H . 25505 1 20 . 1 1 4 4 PHE HA H 1 4.38 0.01 . 1 . . . A 189 PHE HA . 25505 1 21 . 1 1 4 4 PHE C C 13 176.196 0.001 . 1 . . . A 189 PHE C . 25505 1 22 . 1 1 4 4 PHE CA C 13 59.003 0.001 . 1 . . . A 189 PHE CA . 25505 1 23 . 1 1 4 4 PHE CB C 13 39.11 0.001 . 1 . . . A 189 PHE CB . 25505 1 24 . 1 1 4 4 PHE N N 15 120.153 0.001 . 1 . . . A 189 PHE N . 25505 1 25 . 1 1 5 5 TRP H H 1 7.88 0.01 . 1 . . . A 190 TRP H . 25505 1 26 . 1 1 5 5 TRP HA H 1 4.50 0.01 . 1 . . . A 190 TRP HA . 25505 1 27 . 1 1 5 5 TRP C C 13 176.298 0.001 . 1 . . . A 190 TRP C . 25505 1 28 . 1 1 5 5 TRP CA C 13 58.125 0.001 . 1 . . . A 190 TRP CA . 25505 1 29 . 1 1 5 5 TRP CB C 13 29.268 0.001 . 1 . . . A 190 TRP CB . 25505 1 30 . 1 1 5 5 TRP N N 15 121.072 0.001 . 1 . . . A 190 TRP N . 25505 1 31 . 1 1 6 6 LYS H H 1 7.97 0.01 . 1 . . . A 191 LYS H . 25505 1 32 . 1 1 6 6 LYS HA H 1 3.95 0.01 . 1 . . . A 191 LYS HA . 25505 1 33 . 1 1 6 6 LYS C C 13 176.686 0.001 . 1 . . . A 191 LYS C . 25505 1 34 . 1 1 6 6 LYS CA C 13 57.206 0.001 . 1 . . . A 191 LYS CA . 25505 1 35 . 1 1 6 6 LYS CB C 13 32.499 0.001 . 1 . . . A 191 LYS CB . 25505 1 36 . 1 1 6 6 LYS N N 15 121.958 0.001 . 1 . . . A 191 LYS N . 25505 1 37 . 1 1 7 7 ASN H H 1 8.07 0.01 . 1 . . . A 192 ASN H . 25505 1 38 . 1 1 7 7 ASN HA H 1 4.52 0.01 . 1 . . . A 192 ASN HA . 25505 1 39 . 1 1 7 7 ASN C C 13 176.762 0.001 . 1 . . . A 192 ASN C . 25505 1 40 . 1 1 7 7 ASN CA C 13 53.752 0.001 . 1 . . . A 192 ASN CA . 25505 1 41 . 1 1 7 7 ASN CB C 13 38.448 0.001 . 1 . . . A 192 ASN CB . 25505 1 42 . 1 1 7 7 ASN N N 15 117.983 0.001 . 1 . . . A 192 ASN N . 25505 1 43 . 1 1 8 8 PHE H H 1 8.03 0.01 . 1 . . . A 193 PHE H . 25505 1 44 . 1 1 8 8 PHE HA H 1 4.50 0.01 . 1 . . . A 193 PHE HA . 25505 1 45 . 1 1 8 8 PHE C C 13 175.348 0.001 . 1 . . . A 193 PHE C . 25505 1 46 . 1 1 8 8 PHE CA C 13 58.480 0.001 . 1 . . . A 193 PHE CA . 25505 1 47 . 1 1 8 8 PHE CB C 13 39.240 0.001 . 1 . . . A 193 PHE CB . 25505 1 48 . 1 1 8 8 PHE N N 15 120.529 0.001 . 1 . . . A 193 PHE N . 25505 1 49 . 1 1 9 9 GLN H H 1 8.19 0.01 . 1 . . . A 194 GLN H . 25505 1 50 . 1 1 9 9 GLN HA H 1 4.25 0.01 . 1 . . . A 194 GLN HA . 25505 1 51 . 1 1 9 9 GLN C C 13 175.890 0.001 . 1 . . . A 194 GLN C . 25505 1 52 . 1 1 9 9 GLN CA C 13 56.257 0.001 . 1 . . . A 194 GLN CA . 25505 1 53 . 1 1 9 9 GLN CB C 13 29.571 0.001 . 1 . . . A 194 GLN CB . 25505 1 54 . 1 1 9 9 GLN N N 15 120.689 0.001 . 1 . . . A 194 GLN N . 25505 1 55 . 1 1 10 10 THR H H 1 8.13 0.01 . 1 . . . A 195 THR H . 25505 1 56 . 1 1 10 10 THR HA H 1 4.24 0.01 . 1 . . . A 195 THR HA . 25505 1 57 . 1 1 10 10 THR C C 13 176.130 0.001 . 1 . . . A 195 THR C . 25505 1 58 . 1 1 10 10 THR CA C 13 62.586 0.001 . 1 . . . A 195 THR CA . 25505 1 59 . 1 1 10 10 THR CB C 13 69.795 0.001 . 1 . . . A 195 THR CB . 25505 1 60 . 1 1 10 10 THR N N 15 115.265 0.001 . 1 . . . A 195 THR N . 25505 1 stop_ save_