data_15171 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15171 _Entry.Title ; H1 chemical shift assignment of putative membrane-anchoring domain of alMGS (S65-L87) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-11 _Entry.Accession_date 2007-03-11 _Entry.Last_release_date 2007-06-06 _Entry.Original_release_date 2007-06-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jesper Lind . . . 15171 2 Elsa Barany-Wallje . . . 15171 3 Lena Maler . . . 15171 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 15171 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 232 15171 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-06-06 2007-03-11 original author . 15171 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15171 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17444657 _Citation.Full_citation . _Citation.Title 'High cationic charge and bilayer interface-binding helices in a regulatory lipid glycosyltransferase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 19 _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 5664 _Citation.Page_last 5677 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jesper Lind . . . 15171 1 2 Tuulia Ramo . . . 15171 1 3 Maria 'Rosen Klement' . . . 15171 1 4 Elsa Barany-Wallje . . . 15171 1 5 Richard Epand . M. . 15171 1 6 Raquel Epand . F. . 15171 1 7 Lena Maler . . . 15171 1 8 Ake Wieslander . . . 15171 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15171 _Assembly.ID 1 _Assembly.Name 'enzyme alMGS' _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 'S65-L87 binding domain of alMGS' 1 $alMGS A . yes native no no . . . 15171 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_alMGS _Entity.Sf_category entity _Entity.Sf_framecode alMGS _Entity.Entry_ID 15171 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name alMGS _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 ; SLKGFRLVLFVKRYVRKMRK LKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq S65-L87 _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 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'putative binding domain of enzyme alMGS' _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 2015-11-26 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 1Z2T . "Nmr Structure Study Of Anchor Peptide Ser65-Leu87 Of Enzyme Acholeplasma Laidlawii Monoglycosyldiacyl Glycerol Synthase (Almgs)" . . . . . 100.00 23 100.00 100.00 5.41e-04 . . . . 15171 1 2 no GB AAK38877 . "1,2-diacylglycerol 3-glucosyltransferase [Acholeplasma laidlawii]" . . . . . 100.00 398 100.00 100.00 1.10e-03 . . . . 15171 1 3 no SP Q93P60 . "RecName: Full=Alpha-monoglucosyldiacylglycerol synthase; Short=Alpha-MGS; Short=MGlcDAG synthase; AltName: Full=1,2-Diacylglyce" . . . . . 100.00 398 100.00 100.00 1.10e-03 . . . . 15171 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 65 SER . 15171 1 2 66 LEU . 15171 1 3 67 LYS . 15171 1 4 68 GLY . 15171 1 5 69 PHE . 15171 1 6 70 ARG . 15171 1 7 71 LEU . 15171 1 8 72 VAL . 15171 1 9 73 LEU . 15171 1 10 74 PHE . 15171 1 11 75 VAL . 15171 1 12 76 LYS . 15171 1 13 77 ARG . 15171 1 14 78 TYR . 15171 1 15 79 VAL . 15171 1 16 80 ARG . 15171 1 17 81 LYS . 15171 1 18 82 MET . 15171 1 19 83 ARG . 15171 1 20 84 LYS . 15171 1 21 85 LEU . 15171 1 22 86 LYS . 15171 1 23 87 LEU . 15171 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 15171 1 . LEU 2 2 15171 1 . LYS 3 3 15171 1 . GLY 4 4 15171 1 . PHE 5 5 15171 1 . ARG 6 6 15171 1 . LEU 7 7 15171 1 . VAL 8 8 15171 1 . LEU 9 9 15171 1 . PHE 10 10 15171 1 . VAL 11 11 15171 1 . LYS 12 12 15171 1 . ARG 13 13 15171 1 . TYR 14 14 15171 1 . VAL 15 15 15171 1 . ARG 16 16 15171 1 . LYS 17 17 15171 1 . MET 18 18 15171 1 . ARG 19 19 15171 1 . LYS 20 20 15171 1 . LEU 21 21 15171 1 . LYS 22 22 15171 1 . LEU 23 23 15171 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 15171 _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 $alMGS . 2148 organism . 'Acholeplasma laidlawii' . . . Bacteria . Acholeplasma laidlawii . . . . . . . . . . . . . . . . . . . . . 15171 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 15171 _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 $alMGS . 'chemical synthesis' 'Acholeplasma laidlawii' . . . Acholeplasma laidlawii . . . . . . . . . . . . . . . . . . . . . . . 15171 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_alMGS_in_DHPC _Sample.Sf_category sample _Sample.Sf_framecode alMGS_in_DHPC _Sample.Entry_ID 15171 _Sample.ID 1 _Sample.Type solution _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 'alMGS binding domain' 'natural abundance' . . 1 $alMGS . . 1 . . mM . . . . 15171 1 stop_ save_ save_alMGS_in_NeutralBicelle _Sample.Sf_category sample _Sample.Sf_framecode alMGS_in_NeutralBicelle _Sample.Entry_ID 15171 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Neutral Bicelle' _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 'alMGS binding domain' 'natural abundance' . . 1 $alMGS . . 1 . . mM . . . . 15171 2 2 DMPC 'natural abundance' . . . . . . 50 . . mM . . . . 15171 2 3 DHPC 'natural abundance' . . . . . . 200 . . mM . . . . 15171 2 4 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 15171 2 stop_ save_ save_alMGS_in_ChargedBicelle _Sample.Sf_category sample _Sample.Sf_framecode alMGS_in_ChargedBicelle _Sample.Entry_ID 15171 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Charged Bicelle' _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 'alMGS binding domain' 'natural abundance' . . 1 $alMGS . . 1 . . mM . . . . 15171 3 2 DMPC 'natural abundance' . . . . . . 45 . . mM . . . . 15171 3 3 DMPG 'natural abundance' . . . . . . 5 . . mM . . . . 15171 3 4 DHPC 'natural abundance' . . . . . . 200 . . mM . . . . 15171 3 5 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 15171 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15171 _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 'ionic strength' 0.05 . M 15171 1 pH 5.7 . pH 15171 1 pressure 1 . atm 15171 1 temperature 310 . K 15171 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15171 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Accelrys . . 15171 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15171 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 15171 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15171 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15171 _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 Varian INOVA . 600 . . . 15171 1 2 spectrometer_2 Bruker Avance . 500 . . . 15171 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 15171 _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 $alMGS_in_DHPC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15171 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $alMGS_in_DHPC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15171 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $alMGS_in_NeutralBicelle isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15171 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $alMGS_in_NeutralBicelle isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15171 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $alMGS_in_ChargedBicelle isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15171 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $alMGS_in_ChargedBicelle isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15171 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 15171 _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 TSP protons . . . . ppm 0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15171 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 15171 _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' . . . 15171 1 2 '2D 1H-1H TOCSY' . . . 15171 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 3 3 LYS H H 1 8.36 0.02 . 1 . . . . 67 LYS H . 15171 1 2 . 1 1 3 3 LYS HA H 1 4.16 0.02 . 1 . . . . 67 LYS HA . 15171 1 3 . 1 1 3 3 LYS HB2 H 1 1.82 0.02 . 2 . . . . 67 LYS HB2 . 15171 1 4 . 1 1 3 3 LYS HB3 H 1 1.71 0.02 . 2 . . . . 67 LYS HB3 . 15171 1 5 . 1 1 3 3 LYS HG2 H 1 1.52 0.02 . 2 . . . . 67 LYS HG2 . 15171 1 6 . 1 1 3 3 LYS HG3 H 1 1.43 0.02 . 2 . . . . 67 LYS HG3 . 15171 1 7 . 1 1 3 3 LYS HE2 H 1 3.02 0.02 . 2 . . . . 67 LYS HE2 . 15171 1 8 . 1 1 4 4 GLY H H 1 8.44 0.02 . 1 . . . . 68 GLY H . 15171 1 9 . 1 1 4 4 GLY HA2 H 1 3.99 0.02 . 1 . . . . 68 GLY HA2 . 15171 1 10 . 1 1 4 4 GLY HA3 H 1 3.81 0.02 . 1 . . . . 68 GLY HA3 . 15171 1 11 . 1 1 5 5 PHE H H 1 8.25 0.02 . 1 . . . . 69 PHE H . 15171 1 12 . 1 1 5 5 PHE HA H 1 4.32 0.02 . 1 . . . . 69 PHE HA . 15171 1 13 . 1 1 5 5 PHE HB2 H 1 3.22 0.02 . 2 . . . . 69 PHE HB2 . 15171 1 14 . 1 1 5 5 PHE HB3 H 1 3.19 0.02 . 2 . . . . 69 PHE HB3 . 15171 1 15 . 1 1 5 5 PHE HD1 H 1 7.19 0.02 . 3 . . . . 69 PHE HD1 . 15171 1 16 . 1 1 5 5 PHE HE1 H 1 7.25 0.02 . 3 . . . . 69 PHE HE1 . 15171 1 17 . 1 1 6 6 ARG H H 1 8.30 0.02 . 1 . . . . 70 ARG H . 15171 1 18 . 1 1 6 6 ARG HA H 1 3.94 0.02 . 1 . . . . 70 ARG HA . 15171 1 19 . 1 1 6 6 ARG HB2 H 1 1.93 0.02 . 2 . . . . 70 ARG HB2 . 15171 1 20 . 1 1 6 6 ARG HB3 H 1 1.87 0.02 . 2 . . . . 70 ARG HB3 . 15171 1 21 . 1 1 6 6 ARG HG2 H 1 1.72 0.02 . 2 . . . . 70 ARG HG2 . 15171 1 22 . 1 1 6 6 ARG HG3 H 1 1.63 0.02 . 2 . . . . 70 ARG HG3 . 15171 1 23 . 1 1 6 6 ARG HD2 H 1 2.95 0.02 . 2 . . . . 70 ARG HD2 . 15171 1 24 . 1 1 7 7 LEU H H 1 7.92 0.02 . 1 . . . . 71 LEU H . 15171 1 25 . 1 1 7 7 LEU HA H 1 4.17 0.02 . 1 . . . . 71 LEU HA . 15171 1 26 . 1 1 7 7 LEU HB2 H 1 1.87 0.02 . 2 . . . . 71 LEU HB2 . 15171 1 27 . 1 1 7 7 LEU HB3 H 1 1.74 0.02 . 2 . . . . 71 LEU HB3 . 15171 1 28 . 1 1 7 7 LEU HG H 1 1.64 0.02 . 1 . . . . 71 LEU HG . 15171 1 29 . 1 1 8 8 VAL H H 1 7.90 0.02 . 1 . . . . 72 VAL H . 15171 1 30 . 1 1 8 8 VAL HA H 1 3.53 0.02 . 1 . . . . 72 VAL HA . 15171 1 31 . 1 1 8 8 VAL HB H 1 2.22 0.02 . 1 . . . . 72 VAL HB . 15171 1 32 . 1 1 8 8 VAL HG11 H 1 1.07 0.02 . 2 . . . . 72 VAL HG1 . 15171 1 33 . 1 1 8 8 VAL HG12 H 1 1.07 0.02 . 2 . . . . 72 VAL HG1 . 15171 1 34 . 1 1 8 8 VAL HG13 H 1 1.07 0.02 . 2 . . . . 72 VAL HG1 . 15171 1 35 . 1 1 8 8 VAL HG21 H 1 0.94 0.02 . 2 . . . . 72 VAL HG2 . 15171 1 36 . 1 1 8 8 VAL HG22 H 1 0.94 0.02 . 2 . . . . 72 VAL HG2 . 15171 1 37 . 1 1 8 8 VAL HG23 H 1 0.94 0.02 . 2 . . . . 72 VAL HG2 . 15171 1 38 . 1 1 9 9 LEU H H 1 7.84 0.02 . 1 . . . . 73 LEU H . 15171 1 39 . 1 1 9 9 LEU HA H 1 3.95 0.02 . 1 . . . . 73 LEU HA . 15171 1 40 . 1 1 9 9 LEU HB2 H 1 1.60 0.02 . 2 . . . . 73 LEU HB2 . 15171 1 41 . 1 1 9 9 LEU HG H 1 1.55 0.02 . 1 . . . . 73 LEU HG . 15171 1 42 . 1 1 9 9 LEU HD11 H 1 0.88 0.02 . 2 . . . . 73 LEU HD1 . 15171 1 43 . 1 1 9 9 LEU HD12 H 1 0.88 0.02 . 2 . . . . 73 LEU HD1 . 15171 1 44 . 1 1 9 9 LEU HD13 H 1 0.88 0.02 . 2 . . . . 73 LEU HD1 . 15171 1 45 . 1 1 10 10 PHE H H 1 8.07 0.02 . 1 . . . . 74 PHE H . 15171 1 46 . 1 1 10 10 PHE HA H 1 4.26 0.02 . 1 . . . . 74 PHE HA . 15171 1 47 . 1 1 10 10 PHE HB2 H 1 3.35 0.02 . 2 . . . . 74 PHE HB2 . 15171 1 48 . 1 1 10 10 PHE HB3 H 1 3.30 0.02 . 2 . . . . 74 PHE HB3 . 15171 1 49 . 1 1 10 10 PHE HD1 H 1 7.15 0.02 . 3 . . . . 74 PHE HD1 . 15171 1 50 . 1 1 10 10 PHE HE1 H 1 7.22 0.02 . 3 . . . . 74 PHE HE1 . 15171 1 51 . 1 1 11 11 VAL H H 1 8.40 0.02 . 1 . . . . 75 VAL H . 15171 1 52 . 1 1 11 11 VAL HA H 1 3.57 0.02 . 1 . . . . 75 VAL HA . 15171 1 53 . 1 1 11 11 VAL HB H 1 2.28 0.02 . 1 . . . . 75 VAL HB . 15171 1 54 . 1 1 11 11 VAL HG11 H 1 1.15 0.02 . 2 . . . . 75 VAL HG1 . 15171 1 55 . 1 1 11 11 VAL HG12 H 1 1.15 0.02 . 2 . . . . 75 VAL HG1 . 15171 1 56 . 1 1 11 11 VAL HG13 H 1 1.15 0.02 . 2 . . . . 75 VAL HG1 . 15171 1 57 . 1 1 11 11 VAL HG21 H 1 0.94 0.02 . 2 . . . . 75 VAL HG2 . 15171 1 58 . 1 1 11 11 VAL HG22 H 1 0.94 0.02 . 2 . . . . 75 VAL HG2 . 15171 1 59 . 1 1 11 11 VAL HG23 H 1 0.94 0.02 . 2 . . . . 75 VAL HG2 . 15171 1 60 . 1 1 12 12 LYS H H 1 8.41 0.02 . 1 . . . . 76 LYS H . 15171 1 61 . 1 1 12 12 LYS HA H 1 3.92 0.02 . 1 . . . . 76 LYS HA . 15171 1 62 . 1 1 12 12 LYS HB2 H 1 1.93 0.02 . 2 . . . . 76 LYS HB2 . 15171 1 63 . 1 1 12 12 LYS HB3 H 1 1.60 0.02 . 2 . . . . 76 LYS HB3 . 15171 1 64 . 1 1 12 12 LYS HG2 H 1 1.48 0.02 . 2 . . . . 76 LYS HG2 . 15171 1 65 . 1 1 13 13 ARG H H 1 7.91 0.02 . 1 . . . . 77 ARG H . 15171 1 66 . 1 1 13 13 ARG HA H 1 3.92 0.02 . 1 . . . . 77 ARG HA . 15171 1 67 . 1 1 13 13 ARG HB2 H 1 1.80 0.02 . 2 . . . . 77 ARG HB2 . 15171 1 68 . 1 1 13 13 ARG HB3 H 1 1.87 0.02 . 2 . . . . 77 ARG HB3 . 15171 1 69 . 1 1 13 13 ARG HG2 H 1 1.63 0.02 . 2 . . . . 77 ARG HG2 . 15171 1 70 . 1 1 14 14 TYR H H 1 8.06 0.02 . 1 . . . . 78 TYR H . 15171 1 71 . 1 1 14 14 TYR HA H 1 4.16 0.02 . 1 . . . . 78 TYR HA . 15171 1 72 . 1 1 14 14 TYR HB2 H 1 3.00 0.02 . 2 . . . . 78 TYR HB2 . 15171 1 73 . 1 1 14 14 TYR HB3 H 1 2.65 0.02 . 2 . . . . 78 TYR HB3 . 15171 1 74 . 1 1 14 14 TYR HD1 H 1 6.91 0.02 . 3 . . . . 78 TYR HD1 . 15171 1 75 . 1 1 14 14 TYR HD2 H 1 6.74 0.02 . 3 . . . . 78 TYR HD2 . 15171 1 76 . 1 1 15 15 VAL H H 1 8.29 0.02 . 1 . . . . 79 VAL H . 15171 1 77 . 1 1 15 15 VAL HA H 1 3.75 0.02 . 1 . . . . 79 VAL HA . 15171 1 78 . 1 1 15 15 VAL HB H 1 2.25 0.02 . 1 . . . . 79 VAL HB . 15171 1 79 . 1 1 15 15 VAL HG11 H 1 1.09 0.02 . 2 . . . . 79 VAL HG1 . 15171 1 80 . 1 1 15 15 VAL HG12 H 1 1.09 0.02 . 2 . . . . 79 VAL HG1 . 15171 1 81 . 1 1 15 15 VAL HG13 H 1 1.09 0.02 . 2 . . . . 79 VAL HG1 . 15171 1 82 . 1 1 15 15 VAL HG21 H 1 1.00 0.02 . 2 . . . . 79 VAL HG2 . 15171 1 83 . 1 1 15 15 VAL HG22 H 1 1.00 0.02 . 2 . . . . 79 VAL HG2 . 15171 1 84 . 1 1 15 15 VAL HG23 H 1 1.00 0.02 . 2 . . . . 79 VAL HG2 . 15171 1 85 . 1 1 16 16 ARG H H 1 7.84 0.02 . 1 . . . . 80 ARG H . 15171 1 86 . 1 1 16 16 ARG HA H 1 4.10 0.02 . 1 . . . . 80 ARG HA . 15171 1 87 . 1 1 16 16 ARG HB2 H 1 1.90 0.02 . 2 . . . . 80 ARG HB2 . 15171 1 88 . 1 1 16 16 ARG HB3 H 1 1.76 0.02 . 2 . . . . 80 ARG HB3 . 15171 1 89 . 1 1 16 16 ARG HG2 H 1 1.66 0.02 . 2 . . . . 80 ARG HG2 . 15171 1 90 . 1 1 16 16 ARG HG3 H 1 1.64 0.02 . 2 . . . . 80 ARG HG3 . 15171 1 91 . 1 1 16 16 ARG HD2 H 1 3.20 0.02 . 2 . . . . 80 ARG HD2 . 15171 1 92 . 1 1 16 16 ARG HH11 H 1 7.31 0.02 . 2 . . . . 80 ARG HH11 . 15171 1 93 . 1 1 17 17 LYS H H 1 7.73 0.02 . 1 . . . . 81 LYS H . 15171 1 94 . 1 1 17 17 LYS HA H 1 4.19 0.02 . 1 . . . . 81 LYS HA . 15171 1 95 . 1 1 17 17 LYS HB2 H 1 1.83 0.02 . 2 . . . . 81 LYS HB2 . 15171 1 96 . 1 1 17 17 LYS HG2 H 1 1.47 0.02 . 2 . . . . 81 LYS HG2 . 15171 1 97 . 1 1 17 17 LYS HG3 H 1 1.39 0.02 . 2 . . . . 81 LYS HG3 . 15171 1 98 . 1 1 17 17 LYS HD2 H 1 1.64 0.02 . 2 . . . . 81 LYS HD2 . 15171 1 99 . 1 1 18 18 MET H H 1 7.93 0.02 . 1 . . . . 82 MET H . 15171 1 100 . 1 1 18 18 MET HA H 1 4.32 0.02 . 1 . . . . 82 MET HA . 15171 1 101 . 1 1 18 18 MET HB2 H 1 2.03 0.02 . 2 . . . . 82 MET HB2 . 15171 1 102 . 1 1 18 18 MET HB3 H 1 2.06 0.02 . 2 . . . . 82 MET HB3 . 15171 1 103 . 1 1 18 18 MET HG2 H 1 2.50 0.02 . 2 . . . . 82 MET HG2 . 15171 1 104 . 1 1 18 18 MET HG3 H 1 2.41 0.02 . 2 . . . . 82 MET HG3 . 15171 1 105 . 1 1 19 19 ARG H H 1 7.95 0.02 . 1 . . . . 83 ARG H . 15171 1 106 . 1 1 19 19 ARG HA H 1 4.26 0.02 . 1 . . . . 83 ARG HA . 15171 1 107 . 1 1 19 19 ARG HB2 H 1 1.91 0.02 . 2 . . . . 83 ARG HB2 . 15171 1 108 . 1 1 19 19 ARG HB3 H 1 1.82 0.02 . 2 . . . . 83 ARG HB3 . 15171 1 109 . 1 1 19 19 ARG HG2 H 1 1.74 0.02 . 2 . . . . 83 ARG HG2 . 15171 1 110 . 1 1 19 19 ARG HD2 H 1 3.19 0.02 . 2 . . . . 83 ARG HD2 . 15171 1 111 . 1 1 19 19 ARG HH11 H 1 7.31 0.02 . 2 . . . . 83 ARG HH11 . 15171 1 112 . 1 1 20 20 LYS H H 1 7.99 0.02 . 1 . . . . 84 LYS H . 15171 1 113 . 1 1 20 20 LYS HA H 1 4.26 0.02 . 1 . . . . 84 LYS HA . 15171 1 114 . 1 1 20 20 LYS HB2 H 1 1.89 0.02 . 2 . . . . 84 LYS HB2 . 15171 1 115 . 1 1 20 20 LYS HB3 H 1 1.81 0.02 . 2 . . . . 84 LYS HB3 . 15171 1 116 . 1 1 20 20 LYS HG2 H 1 1.50 0.02 . 2 . . . . 84 LYS HG2 . 15171 1 117 . 1 1 20 20 LYS HD2 H 1 1.72 0.02 . 2 . . . . 84 LYS HD2 . 15171 1 118 . 1 1 20 20 LYS HE2 H 1 3.02 0.02 . 2 . . . . 84 LYS HE2 . 15171 1 119 . 1 1 20 20 LYS HZ1 H 1 7.31 0.02 . 1 . . . . 84 LYS HZ . 15171 1 120 . 1 1 20 20 LYS HZ2 H 1 7.31 0.02 . 1 . . . . 84 LYS HZ . 15171 1 121 . 1 1 20 20 LYS HZ3 H 1 7.31 0.02 . 1 . . . . 84 LYS HZ . 15171 1 122 . 1 1 21 21 LEU H H 1 7.96 0.02 . 1 . . . . 85 LEU H . 15171 1 123 . 1 1 21 21 LEU HA H 1 4.34 0.02 . 1 . . . . 85 LEU HA . 15171 1 124 . 1 1 21 21 LEU HB2 H 1 1.66 0.02 . 2 . . . . 85 LEU HB2 . 15171 1 125 . 1 1 21 21 LEU HG H 1 1.58 0.02 . 1 . . . . 85 LEU HG . 15171 1 126 . 1 1 21 21 LEU HD11 H 1 0.88 0.02 . 2 . . . . 85 LEU HD1 . 15171 1 127 . 1 1 21 21 LEU HD12 H 1 0.88 0.02 . 2 . . . . 85 LEU HD1 . 15171 1 128 . 1 1 21 21 LEU HD13 H 1 0.88 0.02 . 2 . . . . 85 LEU HD1 . 15171 1 129 . 1 1 21 21 LEU HD21 H 1 0.93 0.02 . 2 . . . . 85 LEU HD2 . 15171 1 130 . 1 1 21 21 LEU HD22 H 1 0.93 0.02 . 2 . . . . 85 LEU HD2 . 15171 1 131 . 1 1 21 21 LEU HD23 H 1 0.93 0.02 . 2 . . . . 85 LEU HD2 . 15171 1 132 . 1 1 22 22 LYS H H 1 8.08 0.02 . 1 . . . . 86 LYS H . 15171 1 133 . 1 1 22 22 LYS HA H 1 4.35 0.02 . 1 . . . . 86 LYS HA . 15171 1 134 . 1 1 22 22 LYS HB2 H 1 1.86 0.02 . 2 . . . . 86 LYS HB2 . 15171 1 135 . 1 1 22 22 LYS HB3 H 1 1.74 0.02 . 2 . . . . 86 LYS HB3 . 15171 1 136 . 1 1 22 22 LYS HG2 H 1 1.44 0.02 . 2 . . . . 86 LYS HG2 . 15171 1 137 . 1 1 22 22 LYS HD2 H 1 1.71 0.02 . 2 . . . . 86 LYS HD2 . 15171 1 138 . 1 1 22 22 LYS HE2 H 1 3.02 0.02 . 2 . . . . 86 LYS HE2 . 15171 1 139 . 1 1 23 23 LEU H H 1 7.81 0.02 . 1 . . . . 87 LEU H . 15171 1 140 . 1 1 23 23 LEU HA H 1 4.21 0.02 . 1 . . . . 87 LEU HA . 15171 1 141 . 1 1 23 23 LEU HB2 H 1 1.60 0.02 . 2 . . . . 87 LEU HB2 . 15171 1 142 . 1 1 23 23 LEU HD11 H 1 0.93 0.02 . 2 . . . . 87 LEU HD11 . 15171 1 143 . 1 1 23 23 LEU HD12 H 1 0.93 0.02 . 2 . . . . 87 LEU HD11 . 15171 1 144 . 1 1 23 23 LEU HD13 H 1 0.93 0.02 . 2 . . . . 87 LEU HD11 . 15171 1 145 . 1 1 23 23 LEU HD21 H 1 0.88 0.02 . 2 . . . . 87 LEU HD21 . 15171 1 146 . 1 1 23 23 LEU HD22 H 1 0.88 0.02 . 2 . . . . 87 LEU HD21 . 15171 1 147 . 1 1 23 23 LEU HD23 H 1 0.88 0.02 . 2 . . . . 87 LEU HD21 . 15171 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 15171 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '2D 1H-1H NOESY' . . . 15171 2 4 '2D 1H-1H TOCSY' . . . 15171 2 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 3 3 LYS H H 1 8.31 0.02 . 1 . . . . 67 LYS H . 15171 2 2 . 1 1 3 3 LYS HA H 1 4.25 0.02 . 1 . . . . 67 LYS HA . 15171 2 3 . 1 1 4 4 GLY H H 1 8.46 0.02 . 1 . . . . 68 GLY H . 15171 2 4 . 1 1 4 4 GLY HA2 H 1 3.90 0.02 . 1 . . . . 68 GLY HA2 . 15171 2 5 . 1 1 5 5 PHE H H 1 8.24 0.02 . 1 . . . . 69 PHE H . 15171 2 6 . 1 1 5 5 PHE HA H 1 4.47 0.02 . 1 . . . . 69 PHE HA . 15171 2 7 . 1 1 6 6 ARG H H 1 8.24 0.02 . 1 . . . . 70 ARG H . 15171 2 8 . 1 1 6 6 ARG HA H 1 4.09 0.02 . 1 . . . . 70 ARG HA . 15171 2 9 . 1 1 7 7 LEU H H 1 8.10 0.02 . 1 . . . . 71 LEU H . 15171 2 10 . 1 1 7 7 LEU HA H 1 4.13 0.02 . 1 . . . . 71 LEU HA . 15171 2 11 . 1 1 8 8 VAL H H 1 7.89 0.02 . 1 . . . . 72 VAL H . 15171 2 12 . 1 1 8 8 VAL HA H 1 3.55 0.02 . 1 . . . . 72 VAL HA . 15171 2 13 . 1 1 9 9 LEU H H 1 7.65 0.02 . 1 . . . . 73 LEU H . 15171 2 14 . 1 1 9 9 LEU HA H 1 3.99 0.02 . 1 . . . . 73 LEU HA . 15171 2 15 . 1 1 10 10 PHE H H 1 7.95 0.02 . 1 . . . . 74 PHE H . 15171 2 16 . 1 1 10 10 PHE HA H 1 4.30 0.02 . 1 . . . . 74 PHE HA . 15171 2 17 . 1 1 11 11 VAL H H 1 8.25 0.02 . 1 . . . . 75 VAL H . 15171 2 18 . 1 1 11 11 VAL HA H 1 3.57 0.02 . 1 . . . . 75 VAL HA . 15171 2 19 . 1 1 12 12 LYS H H 1 8.39 0.02 . 1 . . . . 76 LYS H . 15171 2 20 . 1 1 12 12 LYS HA H 1 3.89 0.02 . 1 . . . . 76 LYS HA . 15171 2 21 . 1 1 13 13 ARG H H 1 7.87 0.02 . 1 . . . . 77 ARG H . 15171 2 22 . 1 1 13 13 ARG HA H 1 3.95 0.02 . 1 . . . . 77 ARG HA . 15171 2 23 . 1 1 14 14 TYR H H 1 7.94 0.02 . 1 . . . . 78 TYR H . 15171 2 24 . 1 1 14 14 TYR HA H 1 4.12 0.02 . 1 . . . . 78 TYR HA . 15171 2 25 . 1 1 15 15 VAL H H 1 8.31 0.02 . 1 . . . . 79 VAL H . 15171 2 26 . 1 1 15 15 VAL HA H 1 3.70 0.02 . 1 . . . . 79 VAL HA . 15171 2 27 . 1 1 16 16 ARG H H 1 7.81 0.02 . 1 . . . . 80 ARG H . 15171 2 28 . 1 1 16 16 ARG HA H 1 4.06 0.02 . 1 . . . . 80 ARG HA . 15171 2 29 . 1 1 17 17 LYS H H 1 7.67 0.02 . 1 . . . . 81 LYS H . 15171 2 30 . 1 1 17 17 LYS HA H 1 4.14 0.02 . 1 . . . . 81 LYS HA . 15171 2 31 . 1 1 18 18 MET H H 1 7.95 0.02 . 1 . . . . 82 MET H . 15171 2 32 . 1 1 18 18 MET HA H 1 4.25 0.02 . 1 . . . . 82 MET HA . 15171 2 33 . 1 1 19 19 ARG H H 1 7.91 0.02 . 1 . . . . 83 ARG H . 15171 2 34 . 1 1 19 19 ARG HA H 1 4.25 0.02 . 1 . . . . 83 ARG HA . 15171 2 35 . 1 1 20 20 LYS H H 1 7.91 0.02 . 1 . . . . 84 LYS H . 15171 2 36 . 1 1 20 20 LYS HA H 1 4.25 0.02 . 1 . . . . 84 LYS HA . 15171 2 37 . 1 1 21 21 LEU H H 1 7.95 0.02 . 1 . . . . 85 LEU H . 15171 2 38 . 1 1 21 21 LEU HA H 1 4.25 0.02 . 1 . . . . 85 LEU HA . 15171 2 39 . 1 1 22 22 LYS H H 1 8.06 0.02 . 1 . . . . 86 LYS H . 15171 2 40 . 1 1 22 22 LYS HA H 1 4.25 0.02 . 1 . . . . 86 LYS HA . 15171 2 41 . 1 1 23 23 LEU H H 1 7.79 0.02 . 1 . . . . 87 LEU H . 15171 2 42 . 1 1 23 23 LEU HA H 1 4.22 0.02 . 1 . . . . 87 LEU HA . 15171 2 stop_ save_ save_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 15171 _Assigned_chem_shift_list.ID 3 _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 5 '2D 1H-1H NOESY' . . . 15171 3 6 '2D 1H-1H TOCSY' . . . 15171 3 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 3 3 LYS H H 1 8.29 0.02 . 1 . . . . 67 LYS H . 15171 3 2 . 1 1 3 3 LYS HA H 1 4.19 0.02 . 1 . . . . 67 LYS HA . 15171 3 3 . 1 1 4 4 GLY H H 1 8.43 0.02 . 1 . . . . 68 GLY H . 15171 3 4 . 1 1 4 4 GLY HA2 H 1 3.94 0.02 . 1 . . . . 68 GLY HA2 . 15171 3 5 . 1 1 4 4 GLY HA3 H 1 3.80 0.02 . 1 . . . . 68 GLY HA3 . 15171 3 6 . 1 1 5 5 PHE H H 1 8.21 0.02 . 1 . . . . 69 PHE H . 15171 3 7 . 1 1 5 5 PHE HA H 1 4.41 0.02 . 1 . . . . 69 PHE HA . 15171 3 8 . 1 1 6 6 ARG H H 1 8.23 0.02 . 1 . . . . 70 ARG H . 15171 3 9 . 1 1 6 6 ARG HA H 1 4.04 0.02 . 1 . . . . 70 ARG HA . 15171 3 10 . 1 1 7 7 LEU H H 1 8.07 0.02 . 1 . . . . 71 LEU H . 15171 3 11 . 1 1 7 7 LEU HA H 1 4.11 0.02 . 1 . . . . 71 LEU HA . 15171 3 12 . 1 1 8 8 VAL H H 1 7.87 0.02 . 1 . . . . 72 VAL H . 15171 3 13 . 1 1 8 8 VAL HA H 1 3.51 0.02 . 1 . . . . 72 VAL HA . 15171 3 14 . 1 1 9 9 LEU H H 1 7.64 0.02 . 1 . . . . 73 LEU H . 15171 3 15 . 1 1 9 9 LEU HA H 1 3.96 0.02 . 1 . . . . 73 LEU HA . 15171 3 16 . 1 1 10 10 PHE H H 1 7.88 0.02 . 1 . . . . 74 PHE H . 15171 3 17 . 1 1 10 10 PHE HA H 1 4.22 0.02 . 1 . . . . 74 PHE HA . 15171 3 18 . 1 1 11 11 VAL H H 1 8.22 0.02 . 1 . . . . 75 VAL H . 15171 3 19 . 1 1 11 11 VAL HA H 1 3.55 0.02 . 1 . . . . 75 VAL HA . 15171 3 20 . 1 1 12 12 LYS H H 1 8.38 0.02 . 1 . . . . 76 LYS H . 15171 3 21 . 1 1 12 12 LYS HA H 1 3.85 0.02 . 1 . . . . 76 LYS HA . 15171 3 22 . 1 1 13 13 ARG H H 1 7.85 0.02 . 1 . . . . 77 ARG H . 15171 3 23 . 1 1 13 13 ARG HA H 1 3.92 0.02 . 1 . . . . 77 ARG HA . 15171 3 24 . 1 1 14 14 TYR H H 1 7.91 0.02 . 1 . . . . 78 TYR H . 15171 3 25 . 1 1 14 14 TYR HA H 1 4.09 0.02 . 1 . . . . 78 TYR HA . 15171 3 26 . 1 1 15 15 VAL H H 1 8.29 0.02 . 1 . . . . 79 VAL H . 15171 3 27 . 1 1 15 15 VAL HA H 1 3.69 0.02 . 1 . . . . 79 VAL HA . 15171 3 28 . 1 1 16 16 ARG H H 1 7.77 0.02 . 1 . . . . 80 ARG H . 15171 3 29 . 1 1 16 16 ARG HA H 1 4.02 0.02 . 1 . . . . 80 ARG HA . 15171 3 30 . 1 1 17 17 LYS H H 1 7.63 0.02 . 1 . . . . 81 LYS H . 15171 3 31 . 1 1 17 17 LYS HA H 1 4.11 0.02 . 1 . . . . 81 LYS HA . 15171 3 32 . 1 1 18 18 MET H H 1 7.87 0.02 . 1 . . . . 82 MET H . 15171 3 33 . 1 1 18 18 MET HA H 1 4.22 0.02 . 1 . . . . 82 MET HA . 15171 3 34 . 1 1 19 19 ARG H H 1 7.86 0.02 . 1 . . . . 83 ARG H . 15171 3 35 . 1 1 19 19 ARG HA H 1 4.22 0.02 . 1 . . . . 83 ARG HA . 15171 3 36 . 1 1 20 20 LYS H H 1 7.88 0.02 . 1 . . . . 84 LYS H . 15171 3 37 . 1 1 20 20 LYS HA H 1 4.22 0.02 . 1 . . . . 84 LYS HA . 15171 3 38 . 1 1 21 21 LEU H H 1 7.84 0.02 . 1 . . . . 85 LEU H . 15171 3 39 . 1 1 21 21 LEU HA H 1 4.28 0.02 . 1 . . . . 85 LEU HA . 15171 3 40 . 1 1 22 22 LYS H H 1 8.02 0.02 . 1 . . . . 86 LYS H . 15171 3 41 . 1 1 22 22 LYS HA H 1 4.32 0.02 . 1 . . . . 86 LYS HA . 15171 3 42 . 1 1 23 23 LEU H H 1 7.76 0.02 . 1 . . . . 87 LEU H . 15171 3 43 . 1 1 23 23 LEU HA H 1 4.16 0.02 . 1 . . . . 87 LEU HA . 15171 3 stop_ save_