data_16074 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16074 _Entry.Title ; Solution structure of micelle-bound kalata B2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-21 _Entry.Accession_date 2008-12-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Conan Wang C. K. . 16074 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' . 16074 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cyclic cystine knot' . 16074 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16074 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 163 16074 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 . . 2010-05-27 2009-12-21 update BMRB 'edit entity/assembly name' 16074 1 . . 2009-09-04 2009-12-21 original author 'original release' 16074 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KCH 'BMRB Entry Tracking System' 16074 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16074 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19720036 _Citation.Full_citation . _Citation.Title 'Despite a conserved cystine knot motif, different cyclotides have different membrane binding modes' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 97 _Citation.Journal_issue 5 _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 1471 _Citation.Page_last 1481 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Conan Wang C. K. . 16074 1 2 Michelle Colgrave . L. . 16074 1 3 David Ireland . C. . 16074 1 4 Quentin Kaas . . . 16074 1 5 David Craik D. J. . 16074 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16074 _Assembly.ID 1 _Assembly.Name 'kalata B2' _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 'kalata B2' 1 $entity A . yes native no no . . . 16074 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16074 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'kalata B2' _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 ; CGETCFGGTCNTPGCSCTWP ICTRDGLPV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 29 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1PT4 . "Solution Structure Of The Moebius Cyclotide Kalata B2" . . . . . 100.00 29 100.00 100.00 1.99e-10 . . . . 16074 1 2 no PDB 2KCH . "Solution Structure Of Micelle-Bound Kalata B2" . . . . . 100.00 29 100.00 100.00 1.99e-10 . . . . 16074 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 . CYS . 16074 1 2 . GLY . 16074 1 3 . GLU . 16074 1 4 . THR . 16074 1 5 . CYS . 16074 1 6 . PHE . 16074 1 7 . GLY . 16074 1 8 . GLY . 16074 1 9 . THR . 16074 1 10 . CYS . 16074 1 11 . ASN . 16074 1 12 . THR . 16074 1 13 . PRO . 16074 1 14 . GLY . 16074 1 15 . CYS . 16074 1 16 . SER . 16074 1 17 . CYS . 16074 1 18 . THR . 16074 1 19 . TRP . 16074 1 20 . PRO . 16074 1 21 . ILE . 16074 1 22 . CYS . 16074 1 23 . THR . 16074 1 24 . ARG . 16074 1 25 . ASP . 16074 1 26 . GLY . 16074 1 27 . LEU . 16074 1 28 . PRO . 16074 1 29 . VAL . 16074 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 . CYS 1 1 16074 1 . GLY 2 2 16074 1 . GLU 3 3 16074 1 . THR 4 4 16074 1 . CYS 5 5 16074 1 . PHE 6 6 16074 1 . GLY 7 7 16074 1 . GLY 8 8 16074 1 . THR 9 9 16074 1 . CYS 10 10 16074 1 . ASN 11 11 16074 1 . THR 12 12 16074 1 . PRO 13 13 16074 1 . GLY 14 14 16074 1 . CYS 15 15 16074 1 . SER 16 16 16074 1 . CYS 17 17 16074 1 . THR 18 18 16074 1 . TRP 19 19 16074 1 . PRO 20 20 16074 1 . ILE 21 21 16074 1 . CYS 22 22 16074 1 . THR 23 23 16074 1 . ARG 24 24 16074 1 . ASP 25 25 16074 1 . GLY 26 26 16074 1 . LEU 27 27 16074 1 . PRO 28 28 16074 1 . VAL 29 29 16074 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 16074 _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 $entity . 97441 organism . 'Viola odorata' 'Viola odorata' . . Eukaryota Viridiplantae Viola odorata . . . . . . . . . . . . . . . . . . . . . 16074 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 16074 _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 $entity . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16074 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16074 _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 'natural abundance' . . 1 $entity . . 2 . . mM . . . . 16074 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16074 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16074 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 16074 _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 5 . pH 16074 1 pressure 1 . atm 16074 1 temperature 313 . K 16074 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16074 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 16074 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16074 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 16074 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 16074 _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 AMX . 600 . . . 16074 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 16074 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16074 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 16074 _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 water protons . . . . ppm 4.65 internal direct 1 . . . . . . . . . 16074 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 16074 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 16074 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 CYS H H 1 7.696 0.000 . . . . . . 1 CYS HN . 16074 1 2 . 1 1 1 1 CYS HA H 1 4.494 0.000 . . . . . . 1 CYS HA . 16074 1 3 . 1 1 1 1 CYS HB2 H 1 3.416 0.000 . . . . . . 1 CYS HB1 . 16074 1 4 . 1 1 1 1 CYS HB3 H 1 3.116 0.000 . . . . . . 1 CYS HB2 . 16074 1 5 . 1 1 2 2 GLY H H 1 8.645 0.000 . . . . . . 2 GLY HN . 16074 1 6 . 1 1 2 2 GLY HA2 H 1 3.887 0.000 . . . . . . 2 GLY HA1 . 16074 1 7 . 1 1 2 2 GLY HA3 H 1 3.764 0.000 . . . . . . 2 GLY HA2 . 16074 1 8 . 1 1 3 3 GLU H H 1 7.071 0.000 . . . . . . 3 GLU HN . 16074 1 9 . 1 1 3 3 GLU HA H 1 4.867 0.000 . . . . . . 3 GLU HA . 16074 1 10 . 1 1 3 3 GLU HB2 H 1 2.675 0.000 . . . . . . 3 GLU HB1 . 16074 1 11 . 1 1 3 3 GLU HB3 H 1 2.342 0.000 . . . . . . 3 GLU HB2 . 16074 1 12 . 1 1 3 3 GLU HG2 H 1 1.943 0.000 . . . . . . 3 GLU HG1 . 16074 1 13 . 1 1 3 3 GLU HG3 H 1 1.873 0.000 . . . . . . 3 GLU HG2 . 16074 1 14 . 1 1 4 4 THR H H 1 8.448 0.000 . . . . . . 4 THR HN . 16074 1 15 . 1 1 4 4 THR HA H 1 4.451 0.000 . . . . . . 4 THR HA . 16074 1 16 . 1 1 4 4 THR HG21 H 1 1.166 0.000 . . . . . . 4 THR QG2 . 16074 1 17 . 1 1 4 4 THR HG22 H 1 1.166 0.000 . . . . . . 4 THR QG2 . 16074 1 18 . 1 1 4 4 THR HG23 H 1 1.166 0.000 . . . . . . 4 THR QG2 . 16074 1 19 . 1 1 5 5 CYS H H 1 8.289 0.000 . . . . . . 5 CYS HN . 16074 1 20 . 1 1 5 5 CYS HA H 1 5.162 0.000 . . . . . . 5 CYS HA . 16074 1 21 . 1 1 5 5 CYS HB2 H 1 3.368 0.000 . . . . . . 5 CYS HB1 . 16074 1 22 . 1 1 5 5 CYS HB3 H 1 2.614 0.000 . . . . . . 5 CYS HB2 . 16074 1 23 . 1 1 6 6 PHE H H 1 9.659 0.000 . . . . . . 6 PHE HN . 16074 1 24 . 1 1 6 6 PHE HA H 1 4.022 0.000 . . . . . . 6 PHE HA . 16074 1 25 . 1 1 6 6 PHE HB2 H 1 3.212 0.000 . . . . . . 6 PHE QB . 16074 1 26 . 1 1 6 6 PHE HB3 H 1 3.212 0.000 . . . . . . 6 PHE QB . 16074 1 27 . 1 1 6 6 PHE HD1 H 1 7.494 0.000 . . . . . . 6 PHE HD1 . 16074 1 28 . 1 1 6 6 PHE HE1 H 1 7.119 0.000 . . . . . . 6 PHE QE . 16074 1 29 . 1 1 6 6 PHE HE2 H 1 7.119 0.000 . . . . . . 6 PHE QE . 16074 1 30 . 1 1 7 7 GLY H H 1 9.220 0.000 . . . . . . 7 GLY HN . 16074 1 31 . 1 1 7 7 GLY HA2 H 1 4.462 0.000 . . . . . . 7 GLY HA1 . 16074 1 32 . 1 1 7 7 GLY HA3 H 1 3.881 0.000 . . . . . . 7 GLY HA2 . 16074 1 33 . 1 1 8 8 GLY H H 1 8.215 0.000 . . . . . . 8 GLY HN . 16074 1 34 . 1 1 8 8 GLY HA2 H 1 4.577 0.000 . . . . . . 8 GLY HA1 . 16074 1 35 . 1 1 8 8 GLY HA3 H 1 4.139 0.000 . . . . . . 8 GLY HA2 . 16074 1 36 . 1 1 9 9 THR H H 1 8.012 0.000 . . . . . . 9 THR HN . 16074 1 37 . 1 1 9 9 THR HA H 1 4.740 0.000 . . . . . . 9 THR HA . 16074 1 38 . 1 1 9 9 THR HB H 1 4.043 0.000 . . . . . . 9 THR HB . 16074 1 39 . 1 1 9 9 THR HG21 H 1 1.173 0.000 . . . . . . 9 THR QG2 . 16074 1 40 . 1 1 9 9 THR HG22 H 1 1.173 0.000 . . . . . . 9 THR QG2 . 16074 1 41 . 1 1 9 9 THR HG23 H 1 1.173 0.000 . . . . . . 9 THR QG2 . 16074 1 42 . 1 1 10 10 CYS H H 1 8.576 0.000 . . . . . . 10 CYS HN . 16074 1 43 . 1 1 10 10 CYS HA H 1 4.685 0.000 . . . . . . 10 CYS HA . 16074 1 44 . 1 1 10 10 CYS HB2 H 1 3.120 0.000 . . . . . . 10 CYS HB1 . 16074 1 45 . 1 1 10 10 CYS HB3 H 1 2.714 0.000 . . . . . . 10 CYS HB2 . 16074 1 46 . 1 1 11 11 ASN H H 1 11.445 0.000 . . . . . . 11 ASN HN . 16074 1 47 . 1 1 11 11 ASN HA H 1 4.827 0.000 . . . . . . 11 ASN HA . 16074 1 48 . 1 1 11 11 ASN HB2 H 1 2.851 0.000 . . . . . . 11 ASN QB . 16074 1 49 . 1 1 11 11 ASN HB3 H 1 2.851 0.000 . . . . . . 11 ASN QB . 16074 1 50 . 1 1 11 11 ASN HD21 H 1 7.690 0.000 . . . . . . 11 ASN HD21 . 16074 1 51 . 1 1 11 11 ASN HD22 H 1 6.899 0.000 . . . . . . 11 ASN HD22 . 16074 1 52 . 1 1 12 12 THR H H 1 9.679 0.000 . . . . . . 12 THR HN . 16074 1 53 . 1 1 12 12 THR HA H 1 4.369 0.000 . . . . . . 12 THR HA . 16074 1 54 . 1 1 12 12 THR HG21 H 1 1.377 0.000 . . . . . . 12 THR QG2 . 16074 1 55 . 1 1 12 12 THR HG22 H 1 1.377 0.000 . . . . . . 12 THR QG2 . 16074 1 56 . 1 1 12 12 THR HG23 H 1 1.377 0.000 . . . . . . 12 THR QG2 . 16074 1 57 . 1 1 13 13 PRO HA H 1 4.308 0.000 . . . . . . 13 PRO HA . 16074 1 58 . 1 1 13 13 PRO HB2 H 1 2.372 0.000 . . . . . . 13 PRO HB1 . 16074 1 59 . 1 1 13 13 PRO HB3 H 1 2.199 0.000 . . . . . . 13 PRO HB2 . 16074 1 60 . 1 1 13 13 PRO HD2 H 1 3.759 0.000 . . . . . . 13 PRO QD . 16074 1 61 . 1 1 13 13 PRO HD3 H 1 3.759 0.000 . . . . . . 13 PRO QD . 16074 1 62 . 1 1 13 13 PRO HG2 H 1 2.055 0.000 . . . . . . 13 PRO HG1 . 16074 1 63 . 1 1 13 13 PRO HG3 H 1 1.957 0.000 . . . . . . 13 PRO HG2 . 16074 1 64 . 1 1 14 14 GLY H H 1 8.748 0.000 . . . . . . 14 GLY HN . 16074 1 65 . 1 1 14 14 GLY HA2 H 1 4.229 0.000 . . . . . . 14 GLY HA1 . 16074 1 66 . 1 1 14 14 GLY HA3 H 1 3.747 0.000 . . . . . . 14 GLY HA2 . 16074 1 67 . 1 1 15 15 CYS H H 1 7.712 0.000 . . . . . . 15 CYS HN . 16074 1 68 . 1 1 15 15 CYS HA H 1 5.331 0.000 . . . . . . 15 CYS HA . 16074 1 69 . 1 1 15 15 CYS HB2 H 1 3.892 0.000 . . . . . . 15 CYS HB1 . 16074 1 70 . 1 1 15 15 CYS HB3 H 1 2.685 0.000 . . . . . . 15 CYS HB2 . 16074 1 71 . 1 1 16 16 SER H H 1 9.548 0.000 . . . . . . 16 SER HN . 16074 1 72 . 1 1 16 16 SER HA H 1 4.720 0.000 . . . . . . 16 SER HA . 16074 1 73 . 1 1 16 16 SER HB2 H 1 3.821 0.000 . . . . . . 16 SER HB1 . 16074 1 74 . 1 1 16 16 SER HB3 H 1 3.743 0.000 . . . . . . 16 SER HB2 . 16074 1 75 . 1 1 17 17 CYS H H 1 9.028 0.000 . . . . . . 17 CYS HN . 16074 1 76 . 1 1 17 17 CYS HA H 1 4.684 0.000 . . . . . . 17 CYS HA . 16074 1 77 . 1 1 17 17 CYS HB2 H 1 3.113 0.000 . . . . . . 17 CYS HB1 . 16074 1 78 . 1 1 17 17 CYS HB3 H 1 2.783 0.000 . . . . . . 17 CYS HB2 . 16074 1 79 . 1 1 18 18 THR H H 1 8.737 0.000 . . . . . . 18 THR HN . 16074 1 80 . 1 1 18 18 THR HA H 1 4.498 0.000 . . . . . . 18 THR HA . 16074 1 81 . 1 1 18 18 THR HB H 1 4.251 0.000 . . . . . . 18 THR HB . 16074 1 82 . 1 1 18 18 THR HG21 H 1 1.227 0.000 . . . . . . 18 THR QG2 . 16074 1 83 . 1 1 18 18 THR HG22 H 1 1.227 0.000 . . . . . . 18 THR QG2 . 16074 1 84 . 1 1 18 18 THR HG23 H 1 1.227 0.000 . . . . . . 18 THR QG2 . 16074 1 85 . 1 1 19 19 TRP H H 1 7.677 0.000 . . . . . . 19 TRP HN . 16074 1 86 . 1 1 19 19 TRP HA H 1 4.007 0.000 . . . . . . 19 TRP HA . 16074 1 87 . 1 1 19 19 TRP HB2 H 1 3.264 0.000 . . . . . . 19 TRP QB . 16074 1 88 . 1 1 19 19 TRP HB3 H 1 3.264 0.000 . . . . . . 19 TRP QB . 16074 1 89 . 1 1 19 19 TRP HD1 H 1 7.417 0.000 . . . . . . 19 TRP HD1 . 16074 1 90 . 1 1 19 19 TRP HE1 H 1 10.782 0.000 . . . . . . 19 TRP HE1 . 16074 1 91 . 1 1 19 19 TRP HE3 H 1 7.492 0.000 . . . . . . 19 TRP HE3 . 16074 1 92 . 1 1 19 19 TRP HH2 H 1 7.118 0.000 . . . . . . 19 TRP HH2 . 16074 1 93 . 1 1 19 19 TRP HZ2 H 1 7.653 0.000 . . . . . . 19 TRP HZ2 . 16074 1 94 . 1 1 19 19 TRP HZ3 H 1 7.013 0.000 . . . . . . 19 TRP HZ3 . 16074 1 95 . 1 1 20 20 PRO HA H 1 3.323 0.000 . . . . . . 20 PRO HA . 16074 1 96 . 1 1 20 20 PRO HB2 H 1 0.464 0.000 . . . . . . 20 PRO HB1 . 16074 1 97 . 1 1 20 20 PRO HB3 H 1 -1.074 0.000 . . . . . . 20 PRO HB2 . 16074 1 98 . 1 1 20 20 PRO HD2 H 1 2.951 0.000 . . . . . . 20 PRO HD1 . 16074 1 99 . 1 1 20 20 PRO HD3 H 1 3.271 0.000 . . . . . . 20 PRO HD2 . 16074 1 100 . 1 1 20 20 PRO HG2 H 1 0.820 0.000 . . . . . . 20 PRO HG1 . 16074 1 101 . 1 1 20 20 PRO HG3 H 1 0.907 0.000 . . . . . . 20 PRO HG2 . 16074 1 102 . 1 1 21 21 ILE H H 1 8.646 0.000 . . . . . . 21 ILE HN . 16074 1 103 . 1 1 21 21 ILE HA H 1 4.249 0.000 . . . . . . 21 ILE HA . 16074 1 104 . 1 1 21 21 ILE HB H 1 1.727 0.000 . . . . . . 21 ILE HB . 16074 1 105 . 1 1 21 21 ILE HD11 H 1 0.848 0.000 . . . . . . 21 ILE QD1 . 16074 1 106 . 1 1 21 21 ILE HD12 H 1 0.848 0.000 . . . . . . 21 ILE QD1 . 16074 1 107 . 1 1 21 21 ILE HD13 H 1 0.848 0.000 . . . . . . 21 ILE QD1 . 16074 1 108 . 1 1 21 21 ILE HG12 H 1 1.325 0.000 . . . . . . 21 ILE HG11 . 16074 1 109 . 1 1 21 21 ILE HG13 H 1 1.131 0.000 . . . . . . 21 ILE HG12 . 16074 1 110 . 1 1 21 21 ILE HG21 H 1 0.711 0.000 . . . . . . 21 ILE QG2 . 16074 1 111 . 1 1 21 21 ILE HG22 H 1 0.711 0.000 . . . . . . 21 ILE QG2 . 16074 1 112 . 1 1 21 21 ILE HG23 H 1 0.711 0.000 . . . . . . 21 ILE QG2 . 16074 1 113 . 1 1 22 22 CYS H H 1 7.444 0.000 . . . . . . 22 CYS HN . 16074 1 114 . 1 1 22 22 CYS HA H 1 5.082 0.000 . . . . . . 22 CYS HA . 16074 1 115 . 1 1 22 22 CYS HB2 H 1 3.258 0.000 . . . . . . 22 CYS HB1 . 16074 1 116 . 1 1 22 22 CYS HB3 H 1 2.790 0.000 . . . . . . 22 CYS HB2 . 16074 1 117 . 1 1 23 23 THR H H 1 9.953 0.000 . . . . . . 23 THR HN . 16074 1 118 . 1 1 23 23 THR HA H 1 5.065 0.000 . . . . . . 23 THR HA . 16074 1 119 . 1 1 23 23 THR HB H 1 3.773 0.000 . . . . . . 23 THR HB . 16074 1 120 . 1 1 23 23 THR HG21 H 1 0.891 0.000 . . . . . . 23 THR QG2 . 16074 1 121 . 1 1 23 23 THR HG22 H 1 0.891 0.000 . . . . . . 23 THR QG2 . 16074 1 122 . 1 1 23 23 THR HG23 H 1 0.891 0.000 . . . . . . 23 THR QG2 . 16074 1 123 . 1 1 24 24 ARG H H 1 8.743 0.000 . . . . . . 24 ARG HN . 16074 1 124 . 1 1 24 24 ARG HA H 1 4.793 0.000 . . . . . . 24 ARG HA . 16074 1 125 . 1 1 24 24 ARG HB2 H 1 1.735 0.000 . . . . . . 24 ARG HB1 . 16074 1 126 . 1 1 24 24 ARG HB3 H 1 1.688 0.000 . . . . . . 24 ARG HB2 . 16074 1 127 . 1 1 24 24 ARG HD2 H 1 3.215 0.000 . . . . . . 24 ARG QD . 16074 1 128 . 1 1 24 24 ARG HD3 H 1 3.215 0.000 . . . . . . 24 ARG QD . 16074 1 129 . 1 1 24 24 ARG HE H 1 7.011 0.000 . . . . . . 24 ARG HE . 16074 1 130 . 1 1 24 24 ARG HG2 H 1 1.488 0.000 . . . . . . 24 ARG QG . 16074 1 131 . 1 1 24 24 ARG HG3 H 1 1.488 0.000 . . . . . . 24 ARG QG . 16074 1 132 . 1 1 25 25 ASP H H 1 9.403 0.000 . . . . . . 25 ASP HN . 16074 1 133 . 1 1 25 25 ASP HA H 1 4.376 0.000 . . . . . . 25 ASP HA . 16074 1 134 . 1 1 25 25 ASP HB2 H 1 3.059 0.000 . . . . . . 25 ASP HB1 . 16074 1 135 . 1 1 25 25 ASP HB3 H 1 2.805 0.000 . . . . . . 25 ASP HB2 . 16074 1 136 . 1 1 26 26 GLY H H 1 8.543 0.000 . . . . . . 26 GLY HN . 16074 1 137 . 1 1 26 26 GLY HA2 H 1 4.212 0.000 . . . . . . 26 GLY HA1 . 16074 1 138 . 1 1 26 26 GLY HA3 H 1 3.616 0.000 . . . . . . 26 GLY HA2 . 16074 1 139 . 1 1 27 27 LEU H H 1 7.799 0.000 . . . . . . 27 LEU HN . 16074 1 140 . 1 1 27 27 LEU HA H 1 5.103 0.000 . . . . . . 27 LEU HA . 16074 1 141 . 1 1 27 27 LEU HB2 H 1 2.067 0.000 . . . . . . 27 LEU HB1 . 16074 1 142 . 1 1 27 27 LEU HB3 H 1 1.799 0.000 . . . . . . 27 LEU HB2 . 16074 1 143 . 1 1 27 27 LEU HD11 H 1 1.055 0.000 . . . . . . 27 LEU QD1 . 16074 1 144 . 1 1 27 27 LEU HD12 H 1 1.055 0.000 . . . . . . 27 LEU QD1 . 16074 1 145 . 1 1 27 27 LEU HD13 H 1 1.055 0.000 . . . . . . 27 LEU QD1 . 16074 1 146 . 1 1 27 27 LEU HD21 H 1 0.983 0.000 . . . . . . 27 LEU QD2 . 16074 1 147 . 1 1 27 27 LEU HD22 H 1 0.983 0.000 . . . . . . 27 LEU QD2 . 16074 1 148 . 1 1 27 27 LEU HD23 H 1 0.983 0.000 . . . . . . 27 LEU QD2 . 16074 1 149 . 1 1 27 27 LEU HG H 1 1.395 0.000 . . . . . . 27 LEU HG . 16074 1 150 . 1 1 28 28 PRO HA H 1 5.096 0.000 . . . . . . 28 PRO HA . 16074 1 151 . 1 1 28 28 PRO HD2 H 1 3.821 0.000 . . . . . . 28 PRO HD1 . 16074 1 152 . 1 1 28 28 PRO HD3 H 1 3.711 0.000 . . . . . . 28 PRO HD2 . 16074 1 153 . 1 1 28 28 PRO HG2 H 1 2.553 0.000 . . . . . . 28 PRO QG . 16074 1 154 . 1 1 28 28 PRO HG3 H 1 2.553 0.000 . . . . . . 28 PRO QG . 16074 1 155 . 1 1 29 29 VAL H H 1 8.014 0.000 . . . . . . 29 VAL HN . 16074 1 156 . 1 1 29 29 VAL HA H 1 4.663 0.000 . . . . . . 29 VAL HA . 16074 1 157 . 1 1 29 29 VAL HB H 1 2.639 0.000 . . . . . . 29 VAL HB . 16074 1 158 . 1 1 29 29 VAL HG11 H 1 0.916 0.000 . . . . . . 29 VAL QQG . 16074 1 159 . 1 1 29 29 VAL HG12 H 1 0.916 0.000 . . . . . . 29 VAL QQG . 16074 1 160 . 1 1 29 29 VAL HG13 H 1 0.916 0.000 . . . . . . 29 VAL QQG . 16074 1 161 . 1 1 29 29 VAL HG21 H 1 0.916 0.000 . . . . . . 29 VAL QQG . 16074 1 162 . 1 1 29 29 VAL HG22 H 1 0.916 0.000 . . . . . . 29 VAL QQG . 16074 1 163 . 1 1 29 29 VAL HG23 H 1 0.916 0.000 . . . . . . 29 VAL QQG . 16074 1 stop_ save_