data_6214 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6214 _Entry.Title ; Signal assignments and chemical-shift structural analysis of uniformly 13C, 15N-labeled peptide, mastoparan-X, by multidimensional solid-state NMR under magic-angle spinning ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-05-22 _Entry.Accession_date 2004-05-25 _Entry.Last_release_date 2004-05-25 _Entry.Original_release_date 2004-05-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _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 Toshimichi Fujiwara . . . . 6214 2 Yasuto Todokoro . . . . 6214 3 Yanagishita Hajime . . . . 6214 4 Tawarayama Midori . . . . 6214 5 Kohno Toshiyuki . . . . 6214 6 Wakamatsu Kaori . . . . 6214 7 Akutsu Hideo . . . . 6214 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6214 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 75 6214 '15N chemical shifts' 20 6214 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 . . 2019-10-30 2004-05-22 update BMRB 'update entry etc.' 6214 1 . . 2004-06-25 2004-05-22 original author 'original release' 6214 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6214 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14872124 _Citation.Full_citation . _Citation.Title ; Signal assignments and chemical-shift structural analysis of uniformly 13C, 15N-labeled peptide, mastoparan-X, by multidimensional solid-state NMR under magic-angle spinning ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 4 _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 311 _Citation.Page_last 325 _Citation.Year 2004 _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 Toshimichi Fujiwara . . . . 6214 1 2 Yasuto Todokoro . . . . 6214 1 3 Yanagishita Hajime . . . . 6214 1 4 Tawarayama Midori . . . . 6214 1 5 Kohno Toshiyuki . . . . 6214 1 6 Wakamatsu Kaori . . . . 6214 1 7 Akutsu Hideo . . . . 6214 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MP-X _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MP-X _Assembly.Entry_ID 6214 _Assembly.ID 1 _Assembly.Name mastoparan-X _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6214 1 stop_ 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 mastoparan-X 1 $mastoparan-X . . . native . . . . . 6214 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID MP-X abbreviation 6214 1 mastoparan-X system 6214 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mastoparan-X _Entity.Sf_category entity _Entity.Sf_framecode mastoparan-X _Entity.Entry_ID 6214 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mastoparan-X _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; INWKGIAAMAKKLLG ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2008-08-19 _Entity.DB_query_revised_last_date 2007-06-28 loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MP-X abbreviation 6214 1 mastoparan-X common 6214 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 . ILE . 6214 1 2 . ASN . 6214 1 3 . TRP . 6214 1 4 . LYS . 6214 1 5 . GLY . 6214 1 6 . ILE . 6214 1 7 . ALA . 6214 1 8 . ALA . 6214 1 9 . MET . 6214 1 10 . ALA . 6214 1 11 . LYS . 6214 1 12 . LYS . 6214 1 13 . LEU . 6214 1 14 . LEU . 6214 1 15 . GLY . 6214 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 . ILE 1 1 6214 1 . ASN 2 2 6214 1 . TRP 3 3 6214 1 . LYS 4 4 6214 1 . GLY 5 5 6214 1 . ILE 6 6 6214 1 . ALA 7 7 6214 1 . ALA 8 8 6214 1 . MET 9 9 6214 1 . ALA 10 10 6214 1 . LYS 11 11 6214 1 . LYS 12 12 6214 1 . LEU 13 13 6214 1 . LEU 14 14 6214 1 . GLY 15 15 6214 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 6214 _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 $mastoparan-X . 7443 . . 'Vespa Vespa orientalis' Wasp . . Eukaryota Metazoa Vespa 'Vespa orientalis' . . . . . . . . . . . . 'wasp venom' 6214 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 6214 _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 $mastoparan-X . 'recombinant technology' . . . . . . . . . . . . . . . . 6214 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6214 _Sample.ID 1 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 mastoparan-X '[U-95% 13C; U-95% 15N]' . . 1 $mastoparan-X . . 100 . . % . . . . 6214 1 stop_ save_ ####################### # Sample conditions # ####################### save_EX-cod_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode EX-cod_1 _Sample_condition_list.Entry_ID 6214 _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 pH 7 20 na 6214 1 temperature 280 10 K 6214 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 6214 _Software.ID 1 _Software.Type . _Software.Name Felix _Software.Version 95,2000 _Software.DOI . _Software.Details . 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 6214 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model CMX-infinity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6214 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model CMX-infinity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6214 _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 Varian CMX-infinity . 400 . . . 6214 1 2 NMR_spectrometer_2 Varian CMX-infinity . 500 . . . 6214 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 6214 _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 '13C-13C RFDR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6214 1 2 '15N-13C ramp-CP' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6214 1 3 CA-CBCG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6214 1 4 CA(NHCO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6214 1 5 NH(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6214 1 6 COCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6214 1 7 NHCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6214 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6214 _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 hexamethylbenzene 'methyl carbons' . . . . ppm 19.14 . . 0.251449530 . . . . . 6214 1 N 15 hexamethylbenzene 'methyl carbons' . . . . ppm 19.14 . . 0.101329118 . . . . . 6214 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6214 _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 $EX-cod_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '13C-13C RFDR' 1 $sample_1 . 6214 1 2 '15N-13C ramp-CP' 1 $sample_1 . 6214 1 3 CA-CBCG 1 $sample_1 . 6214 1 4 CA(NHCO)CA 1 $sample_1 . 6214 1 5 NH(CO)CACB 1 $sample_1 . 6214 1 6 COCACB 1 $sample_1 . 6214 1 7 NHCACB 1 $sample_1 . 6214 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.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 ILE C C 13 174.1 2.0 . 1 . . . . . . . . . 6214 1 2 . 1 1 1 1 ILE CA C 13 59.9 1.4 . 1 . . . . . . . . . 6214 1 3 . 1 1 1 1 ILE CB C 13 39.3 0.9 . 1 . . . . . . . . . 6214 1 4 . 1 1 1 1 ILE CG1 C 13 27.3 2.0 . 1 . . . . . . . . . 6214 1 5 . 1 1 1 1 ILE CG2 C 13 17.3 2.0 . 1 . . . . . . . . . 6214 1 6 . 1 1 1 1 ILE CD1 C 13 13.3 2.0 . 1 . . . . . . . . . 6214 1 7 . 1 1 1 1 ILE N N 15 37.3 2.3 . 1 . . . . . . . . . 6214 1 8 . 1 1 2 2 ASN C C 13 174.9 1.9 . 1 . . . . . . . . . 6214 1 9 . 1 1 2 2 ASN CA C 13 51.0 1.0 . 1 . . . . . . . . . 6214 1 10 . 1 1 2 2 ASN CB C 13 36.6 1.5 . 1 . . . . . . . . . 6214 1 11 . 1 1 2 2 ASN CG C 13 177.0 1.8 . 1 . . . . . . . . . 6214 1 12 . 1 1 2 2 ASN N N 15 127.3 4.0 . 1 . . . . . . . . . 6214 1 13 . 1 1 2 2 ASN ND2 N 15 112.8 3.5 . 1 . . . . . . . . . 6214 1 14 . 1 1 3 3 TRP C C 13 175.8 1.1 . 1 . . . . . . . . . 6214 1 15 . 1 1 3 3 TRP CA C 13 60.1 1.0 . 1 . . . . . . . . . 6214 1 16 . 1 1 3 3 TRP CB C 13 30.8 1.5 . 1 . . . . . . . . . 6214 1 17 . 1 1 3 3 TRP CG C 13 111.5 1.3 . 1 . . . . . . . . . 6214 1 18 . 1 1 3 3 TRP CD1 C 13 128.1 1.0 . 1 . . . . . . . . . 6214 1 19 . 1 1 3 3 TRP CD2 C 13 128.8 0.8 . 1 . . . . . . . . . 6214 1 20 . 1 1 3 3 TRP CE2 C 13 139.8 0.8 . 1 . . . . . . . . . 6214 1 21 . 1 1 3 3 TRP CE3 C 13 119.8 1.0 . 1 . . . . . . . . . 6214 1 22 . 1 1 3 3 TRP CZ2 C 13 113.8 1.6 . 1 . . . . . . . . . 6214 1 23 . 1 1 3 3 TRP CZ3 C 13 120.8 1.4 . 1 . . . . . . . . . 6214 1 24 . 1 1 3 3 TRP CH2 C 13 124.8 1.2 . 1 . . . . . . . . . 6214 1 25 . 1 1 3 3 TRP N N 15 126.3 2.3 . 1 . . . . . . . . . 6214 1 26 . 1 1 3 3 TRP NE1 N 15 129.8 3.2 . 1 . . . . . . . . . 6214 1 27 . 1 1 4 4 LYS C C 13 177.8 1.3 . 1 . . . . . . . . . 6214 1 28 . 1 1 4 4 LYS CA C 13 59.5 1.3 . 1 . . . . . . . . . 6214 1 29 . 1 1 4 4 LYS CB C 13 31.8 1.5 . 1 . . . . . . . . . 6214 1 30 . 1 1 4 4 LYS CG C 13 25.8 2.0 . 5 . . . . . . . . . 6214 1 31 . 1 1 4 4 LYS CD C 13 29.8 2.0 . 5 . . . . . . . . . 6214 1 32 . 1 1 4 4 LYS CE C 13 42.3 1.8 . 5 . . . . . . . . . 6214 1 33 . 1 1 4 4 LYS N N 15 116.6 2.3 . 1 . . . . . . . . . 6214 1 34 . 1 1 4 4 LYS NZ N 15 32.3 2.8 . 5 . . . . . . . . . 6214 1 35 . 1 1 5 5 GLY C C 13 175.1 2.2 . 1 . . . . . . . . . 6214 1 36 . 1 1 5 5 GLY CA C 13 45.3 2.1 . 1 . . . . . . . . . 6214 1 37 . 1 1 5 5 GLY N N 15 107.7 3.3 . 1 . . . . . . . . . 6214 1 38 . 1 1 6 6 ILE C C 13 178.2 0.8 . 1 . . . . . . . . . 6214 1 39 . 1 1 6 6 ILE CA C 13 64.6 0.8 . 1 . . . . . . . . . 6214 1 40 . 1 1 6 6 ILE CB C 13 37.8 0.8 . 1 . . . . . . . . . 6214 1 41 . 1 1 6 6 ILE CG1 C 13 27.8 1.0 . 1 . . . . . . . . . 6214 1 42 . 1 1 6 6 ILE CG2 C 13 18.0 1.0 . 1 . . . . . . . . . 6214 1 43 . 1 1 6 6 ILE CD1 C 13 14.3 1.0 . 1 . . . . . . . . . 6214 1 44 . 1 1 6 6 ILE N N 15 121.3 2.0 . 1 . . . . . . . . . 6214 1 45 . 1 1 7 7 ALA C C 13 178.7 1.0 . 1 . . . . . . . . . 6214 1 46 . 1 1 7 7 ALA CA C 13 55.3 0.5 . 1 . . . . . . . . . 6214 1 47 . 1 1 7 7 ALA CB C 13 18.6 1.1 . 1 . . . . . . . . . 6214 1 48 . 1 1 7 7 ALA N N 15 120.8 1.8 . 1 . . . . . . . . . 6214 1 49 . 1 1 8 8 ALA C C 13 179.0 1.0 . 1 . . . . . . . . . 6214 1 50 . 1 1 8 8 ALA CA C 13 55.1 0.5 . 1 . . . . . . . . . 6214 1 51 . 1 1 8 8 ALA CB C 13 17.5 1.1 . 1 . . . . . . . . . 6214 1 52 . 1 1 8 8 ALA N N 15 120.8 1.8 . 1 . . . . . . . . . 6214 1 53 . 1 1 9 9 MET C C 13 178.3 1.1 . 1 . . . . . . . . . 6214 1 54 . 1 1 9 9 MET CA C 13 59.7 1.0 . 1 . . . . . . . . . 6214 1 55 . 1 1 9 9 MET CB C 13 31.7 1.1 . 4 . . . . . . . . . 6214 1 56 . 1 1 9 9 MET CG C 13 34.3 1.1 . 4 . . . . . . . . . 6214 1 57 . 1 1 9 9 MET CE C 13 17.3 2.0 . 5 . . . . . . . . . 6214 1 58 . 1 1 9 9 MET N N 15 116.5 2.3 . 1 . . . . . . . . . 6214 1 59 . 1 1 10 10 ALA C C 13 179.0 1.0 . 1 . . . . . . . . . 6214 1 60 . 1 1 10 10 ALA CA C 13 55.3 0.5 . 1 . . . . . . . . . 6214 1 61 . 1 1 10 10 ALA CB C 13 17.5 1.1 . 1 . . . . . . . . . 6214 1 62 . 1 1 10 10 ALA N N 15 120.8 1.8 . 1 . . . . . . . . . 6214 1 63 . 1 1 11 11 LYS C C 13 178.3 2.3 . 1 . . . . . . . . . 6214 1 64 . 1 1 11 11 LYS CA C 13 58.9 1.3 . 1 . . . . . . . . . 6214 1 65 . 1 1 11 11 LYS CB C 13 32.3 1.5 . 1 . . . . . . . . . 6214 1 66 . 1 1 11 11 LYS CG C 13 24.9 2.0 . 5 . . . . . . . . . 6214 1 67 . 1 1 11 11 LYS CD C 13 28.9 2.0 . 5 . . . . . . . . . 6214 1 68 . 1 1 11 11 LYS CE C 13 41.8 1.8 . 5 . . . . . . . . . 6214 1 69 . 1 1 11 11 LYS N N 15 118.2 2.3 . 1 . . . . . . . . . 6214 1 70 . 1 1 11 11 LYS NZ N 15 32.3 2.8 . 5 . . . . . . . . . 6214 1 71 . 1 1 12 12 LYS C C 13 178.3 1.3 . 1 . . . . . . . . . 6214 1 72 . 1 1 12 12 LYS CA C 13 60.0 1.1 . 1 . . . . . . . . . 6214 1 73 . 1 1 12 12 LYS CB C 13 31.3 1.5 . 1 . . . . . . . . . 6214 1 74 . 1 1 12 12 LYS CG C 13 24.9 2.0 . 5 . . . . . . . . . 6214 1 75 . 1 1 12 12 LYS CD C 13 28.9 2.0 . 5 . . . . . . . . . 6214 1 76 . 1 1 12 12 LYS CE C 13 41.8 1.8 . 5 . . . . . . . . . 6214 1 77 . 1 1 12 12 LYS N N 15 117.8 2.3 . 1 . . . . . . . . . 6214 1 78 . 1 1 12 12 LYS NZ N 15 32.3 2.8 . 5 . . . . . . . . . 6214 1 79 . 1 1 13 13 LEU C C 13 177.8 1.1 . 1 . . . . . . . . . 6214 1 80 . 1 1 13 13 LEU CA C 13 56.8 1.5 . 1 . . . . . . . . . 6214 1 81 . 1 1 13 13 LEU CB C 13 42.8 1.3 . 5 . . . . . . . . . 6214 1 82 . 1 1 13 13 LEU CG C 13 29.5 2.0 . 5 . . . . . . . . . 6214 1 83 . 1 1 13 13 LEU CD1 C 13 24.3 2.0 . 5 . . . . . . . . . 6214 1 84 . 1 1 13 13 LEU CD2 C 13 24.1 2.0 . 5 . . . . . . . . . 6214 1 85 . 1 1 13 13 LEU N N 15 117.8 2.5 . 1 . . . . . . . . . 6214 1 86 . 1 1 14 14 LEU C C 13 177.8 1.1 . 1 . . . . . . . . . 6214 1 87 . 1 1 14 14 LEU CA C 13 57.3 1.5 . 1 . . . . . . . . . 6214 1 88 . 1 1 14 14 LEU CB C 13 42.8 1.3 . 5 . . . . . . . . . 6214 1 89 . 1 1 14 14 LEU CG C 13 29.5 2.0 . 5 . . . . . . . . . 6214 1 90 . 1 1 14 14 LEU CD1 C 13 24.7 2.0 . 5 . . . . . . . . . 6214 1 91 . 1 1 14 14 LEU CD2 C 13 24.1 2.0 . 5 . . . . . . . . . 6214 1 92 . 1 1 14 14 LEU N N 15 117.8 2.5 . 1 . . . . . . . . . 6214 1 93 . 1 1 15 15 GLY C C 13 175.1 2.0 . 1 . . . . . . . . . 6214 1 94 . 1 1 15 15 GLY CA C 13 43.8 1.1 . 1 . . . . . . . . . 6214 1 95 . 1 1 15 15 GLY N N 15 108.8 3.3 . 1 . . . . . . . . . 6214 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 55 6214 1 1 56 6214 1 2 30 6214 1 2 66 6214 1 2 74 6214 1 3 31 6214 1 3 67 6214 1 3 75 6214 1 4 32 6214 1 4 68 6214 1 4 76 6214 1 5 34 6214 1 5 70 6214 1 5 78 6214 1 6 81 6214 1 6 88 6214 1 7 82 6214 1 7 89 6214 1 8 83 6214 1 8 84 6214 1 8 90 6214 1 8 91 6214 1 9 57 6214 1 stop_ save_