data_16333 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16333 _Entry.Title ; pH dependent structures of LAH4 in micellar environment: mode of acting ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-04 _Entry.Accession_date 2009-06-04 _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 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 Julia Georgescu . . . 16333 2 Burkhard Bechinger . . . 16333 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 . 'not applicable' 'not applicable' . 16333 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'lah4 neutral' . 16333 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16333 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 164 16333 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 . . 2010-05-28 2009-06-04 update BMRB 'edit entity/assembly name' 16333 1 . . 2009-11-03 2009-06-04 original author 'original release' 16333 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16332 'lah4 in a pH of 4.3' 16333 stop_ save_ ############### # Citations # ############### save_lah4_neutral _Citation.Sf_category citations _Citation.Sf_framecode lah4_neutral _Citation.Entry_ID 16333 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure-function relationships of the polyhistidine-rich peptide LAH4 in micellar environments; pH dependent mode of antibiotic action & DNA transfection ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Julia Georgescu . . . 16333 1 2 Burkhard Bechinger . . . 16333 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16333 _Assembly.ID 1 _Assembly.Name LAH4 _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 LAH4 1 $entity A . yes native no no . . . 16333 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 16332 . . . . . . 16333 1 yes PDB rcsb101202 . . . . . . 16333 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16333 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LAH4 _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 ; KKALLALALHHLAHLALHLA LALKKA ; _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 26 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2787.555 _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 BMRB 16332 . lah4 . . . . . 100.00 26 100.00 100.00 5.05e-03 . . . . 16333 1 2 no PDB 2KJN . "Ph Dependent Structures Of Lah4 In Micellar Environmnet:mode Of Acting" . . . . . 100.00 26 100.00 100.00 5.05e-03 . . . . 16333 1 3 no PDB 2KJO . "Ph Dependent Structures Of Lah4 In Micellar Environment: Mode Of Acting" . . . . . 100.00 26 100.00 100.00 5.05e-03 . . . . 16333 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'antibiotic activity' 16333 1 'dna transfection' 16333 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 . LYS . 16333 1 2 . LYS . 16333 1 3 . ALA . 16333 1 4 . LEU . 16333 1 5 . LEU . 16333 1 6 . ALA . 16333 1 7 . LEU . 16333 1 8 . ALA . 16333 1 9 . LEU . 16333 1 10 . HIS . 16333 1 11 . HIS . 16333 1 12 . LEU . 16333 1 13 . ALA . 16333 1 14 . HIS . 16333 1 15 . LEU . 16333 1 16 . ALA . 16333 1 17 . LEU . 16333 1 18 . HIS . 16333 1 19 . LEU . 16333 1 20 . ALA . 16333 1 21 . LEU . 16333 1 22 . ALA . 16333 1 23 . LEU . 16333 1 24 . LYS . 16333 1 25 . LYS . 16333 1 26 . ALA . 16333 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 . LYS 1 1 16333 1 . LYS 2 2 16333 1 . ALA 3 3 16333 1 . LEU 4 4 16333 1 . LEU 5 5 16333 1 . ALA 6 6 16333 1 . LEU 7 7 16333 1 . ALA 8 8 16333 1 . LEU 9 9 16333 1 . HIS 10 10 16333 1 . HIS 11 11 16333 1 . LEU 12 12 16333 1 . ALA 13 13 16333 1 . HIS 14 14 16333 1 . LEU 15 15 16333 1 . ALA 16 16 16333 1 . LEU 17 17 16333 1 . HIS 18 18 16333 1 . LEU 19 19 16333 1 . ALA 20 20 16333 1 . LEU 21 21 16333 1 . ALA 22 22 16333 1 . LEU 23 23 16333 1 . LYS 24 24 16333 1 . LYS 25 25 16333 1 . ALA 26 26 16333 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 16333 _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 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . 'FMOc sythesis' . . 16333 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 16333 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16333 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16333 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'DPC in PBS' _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 lah4 'natural abundance' . . 1 $entity . . 2 . . mM . . . . 16333 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16333 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16333 1 4 NaCl 'natural abundance' . . . . . . 115 . . mM . . . . 16333 1 5 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 16333 1 6 KH2PO4 'natural abundance' . . . . . . 8 . . mM . . . . 16333 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 16333 _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' 150 . mM 16333 1 pH 6.8 0.1 pH 16333 1 pressure 1 . atm 16333 1 temperature 317 3 K 16333 1 stop_ save_ ############################ # Computer software used # ############################ save_ccnmr _Software.Sf_category software _Software.Sf_framecode ccnmr _Software.Entry_ID 16333 _Software.ID 1 _Software.Name ccnmr _Software.Version . _Software.Details assignment loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16333 1 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16333 1 'Cieslar C. et al' ; cieslar et al...1993 J.Magn.Res.B101, 97-101 ; . 16333 1 'Koradi, Billeter and Wuthrich' . . 16333 1 'Laskowski and MacArthur' . . 16333 1 'Rullmann, Doreleijers and Kaptein' . . 16333 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16333 1 'data analysis' 16333 1 'data analysis' 16333 1 processing 16333 1 'structure solution' 16333 1 visualisation 16333 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 16333 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 16333 _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 DRX . 500 . . . 16333 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 16333 _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 TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16333 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16333 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16333 1 4 '2D roesy' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16333 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 16333 _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 TMS 'methyl protons' . . . . ppm 0.1 internal direct 1.000000000 . . . . . . . . . 16333 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 16333 _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 TOCSY' . . . 16333 1 2 '2D 1H-1H NOESY' . . . 16333 1 3 '2D DQF-COSY' . . . 16333 1 4 '2D roesy' . . . 16333 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 2 2 LYS HA H 1 4.37 0.02 . 1 . . . . 2 LYS HA . 16333 1 2 . 1 1 2 2 LYS HB2 H 1 1.90 0.03 . 2 . . . . 2 LYS HB2 . 16333 1 3 . 1 1 3 3 ALA H H 1 8.608 0.02 . 1 . . . . 3 ALA H . 16333 1 4 . 1 1 3 3 ALA HA H 1 4.408 0.02 . 1 . . . . 3 ALA HA . 16333 1 5 . 1 1 3 3 ALA HB1 H 1 1.569 0.02 . 1 . . . . 3 ALA HB . 16333 1 6 . 1 1 3 3 ALA HB2 H 1 1.569 0.02 . 1 . . . . 3 ALA HB . 16333 1 7 . 1 1 3 3 ALA HB3 H 1 1.569 0.02 . 1 . . . . 3 ALA HB . 16333 1 8 . 1 1 4 4 LEU H H 1 8.475 0.05 . 9 . . . . 4 LEU H . 16333 1 9 . 1 1 4 4 LEU HA H 1 4.205 0.02 . 1 . . . . 4 LEU HA . 16333 1 10 . 1 1 4 4 LEU HB2 H 1 1.995 0.03 . 2 . . . . 4 LEU HB2 . 16333 1 11 . 1 1 4 4 LEU HD11 H 1 1.076 0.02 . 1 . . . . 4 LEU HD1 . 16333 1 12 . 1 1 4 4 LEU HD12 H 1 1.076 0.02 . 1 . . . . 4 LEU HD1 . 16333 1 13 . 1 1 4 4 LEU HD13 H 1 1.076 0.02 . 1 . . . . 4 LEU HD1 . 16333 1 14 . 1 1 4 4 LEU HD21 H 1 1.005 0.02 . 1 . . . . 4 LEU HD2 . 16333 1 15 . 1 1 4 4 LEU HD22 H 1 1.005 0.02 . 1 . . . . 4 LEU HD2 . 16333 1 16 . 1 1 4 4 LEU HD23 H 1 1.005 0.02 . 1 . . . . 4 LEU HD2 . 16333 1 17 . 1 1 4 4 LEU HG H 1 1.897 0.02 . 1 . . . . 4 LEU HG . 16333 1 18 . 1 1 5 5 LEU H H 1 8.443 0.02 . 1 . . . . 5 LEU H . 16333 1 19 . 1 1 5 5 LEU HA H 1 4.108 0.02 . 1 . . . . 5 LEU HA . 16333 1 20 . 1 1 5 5 LEU HB2 H 1 1.977 0.02 . 1 . . . . 5 LEU HB2 . 16333 1 21 . 1 1 5 5 LEU HB3 H 1 1.896 0.02 . 1 . . . . 5 LEU HB3 . 16333 1 22 . 1 1 5 5 LEU HD11 H 1 1.037 0.02 . 1 . . . . 5 LEU HD1 . 16333 1 23 . 1 1 5 5 LEU HD12 H 1 1.037 0.02 . 1 . . . . 5 LEU HD1 . 16333 1 24 . 1 1 5 5 LEU HD13 H 1 1.037 0.02 . 1 . . . . 5 LEU HD1 . 16333 1 25 . 1 1 5 5 LEU HD21 H 1 0.989 0.02 . 1 . . . . 5 LEU HD2 . 16333 1 26 . 1 1 5 5 LEU HD22 H 1 0.989 0.02 . 1 . . . . 5 LEU HD2 . 16333 1 27 . 1 1 5 5 LEU HD23 H 1 0.989 0.02 . 1 . . . . 5 LEU HD2 . 16333 1 28 . 1 1 5 5 LEU HG H 1 1.792 0.02 . 1 . . . . 5 LEU HG . 16333 1 29 . 1 1 6 6 ALA H H 1 7.828 0.02 . 1 . . . . 6 ALA H . 16333 1 30 . 1 1 6 6 ALA HA H 1 4.084 0.02 . 1 . . . . 6 ALA HA . 16333 1 31 . 1 1 6 6 ALA HB1 H 1 1.583 0.02 . 1 . . . . 6 ALA HB . 16333 1 32 . 1 1 6 6 ALA HB2 H 1 1.583 0.02 . 1 . . . . 6 ALA HB . 16333 1 33 . 1 1 6 6 ALA HB3 H 1 1.583 0.02 . 1 . . . . 6 ALA HB . 16333 1 34 . 1 1 7 7 LEU H H 1 7.950 0.05 . 9 . . . . 7 LEU H . 16333 1 35 . 1 1 7 7 LEU HA H 1 4.204 0.05 . 9 . . . . 7 LEU HA . 16333 1 36 . 1 1 7 7 LEU HB2 H 1 1.961 0.02 . 1 . . . . 7 LEU HB2 . 16333 1 37 . 1 1 7 7 LEU HB3 H 1 1.938 0.02 . 1 . . . . 7 LEU HB3 . 16333 1 38 . 1 1 7 7 LEU HD11 H 1 1.035 0.02 . 1 . . . . 7 LEU HD1 . 16333 1 39 . 1 1 7 7 LEU HD12 H 1 1.035 0.02 . 1 . . . . 7 LEU HD1 . 16333 1 40 . 1 1 7 7 LEU HD13 H 1 1.035 0.02 . 1 . . . . 7 LEU HD1 . 16333 1 41 . 1 1 7 7 LEU HD21 H 1 0.997 0.02 . 1 . . . . 7 LEU HD2 . 16333 1 42 . 1 1 7 7 LEU HD22 H 1 0.997 0.02 . 1 . . . . 7 LEU HD2 . 16333 1 43 . 1 1 7 7 LEU HD23 H 1 0.997 0.02 . 1 . . . . 7 LEU HD2 . 16333 1 44 . 1 1 7 7 LEU HG H 1 1.813 0.02 . 1 . . . . 7 LEU HG . 16333 1 45 . 1 1 8 8 ALA H H 1 8.576 0.02 . 1 . . . . 8 ALA H . 16333 1 46 . 1 1 8 8 ALA HA H 1 4.151 0.02 . 1 . . . . 8 ALA HA . 16333 1 47 . 1 1 8 8 ALA HB1 H 1 1.589 0.02 . 1 . . . . 8 ALA HB . 16333 1 48 . 1 1 8 8 ALA HB2 H 1 1.589 0.02 . 1 . . . . 8 ALA HB . 16333 1 49 . 1 1 8 8 ALA HB3 H 1 1.589 0.02 . 1 . . . . 8 ALA HB . 16333 1 50 . 1 1 9 9 LEU H H 1 8.484 0.05 . 9 . . . . 9 LEU H . 16333 1 51 . 1 1 9 9 LEU HA H 1 4.104 0.02 . 1 . . . . 9 LEU HA . 16333 1 52 . 1 1 9 9 LEU HB2 H 1 1.901 0.03 . 2 . . . . 9 LEU HB2 . 16333 1 53 . 1 1 9 9 LEU HD11 H 1 1.064 0.02 . 1 . . . . 9 LEU HD1 . 16333 1 54 . 1 1 9 9 LEU HD12 H 1 1.064 0.02 . 1 . . . . 9 LEU HD1 . 16333 1 55 . 1 1 9 9 LEU HD13 H 1 1.064 0.02 . 1 . . . . 9 LEU HD1 . 16333 1 56 . 1 1 9 9 LEU HD21 H 1 0.967 0.02 . 1 . . . . 9 LEU HD2 . 16333 1 57 . 1 1 9 9 LEU HD22 H 1 0.967 0.02 . 1 . . . . 9 LEU HD2 . 16333 1 58 . 1 1 9 9 LEU HD23 H 1 0.967 0.02 . 1 . . . . 9 LEU HD2 . 16333 1 59 . 1 1 9 9 LEU HG H 1 1.658 0.02 . 1 . . . . 9 LEU HG . 16333 1 60 . 1 1 10 10 HIS H H 1 8.294 0.02 . 1 . . . . 10 HIS H . 16333 1 61 . 1 1 10 10 HIS HA H 1 4.321 0.02 . 1 . . . . 10 HIS HA . 16333 1 62 . 1 1 10 10 HIS HB2 H 1 3.397 0.02 . 1 . . . . 10 HIS HB2 . 16333 1 63 . 1 1 10 10 HIS HB3 H 1 3.309 0.02 . 1 . . . . 10 HIS HB3 . 16333 1 64 . 1 1 10 10 HIS HD2 H 1 6.706 0.02 . 1 . . . . 10 HIS HD2 . 16333 1 65 . 1 1 10 10 HIS HE1 H 1 8.298 0.04 . 5 . . . . 10 HIS HE1 . 16333 1 66 . 1 1 11 11 HIS H H 1 7.842 0.05 . 9 . . . . 11 HIS H . 16333 1 67 . 1 1 11 11 HIS HA H 1 4.338 0.02 . 1 . . . . 11 HIS HA . 16333 1 68 . 1 1 11 11 HIS HB2 H 1 3.365 0.02 . 1 . . . . 11 HIS HB2 . 16333 1 69 . 1 1 11 11 HIS HB3 H 1 3.305 0.02 . 1 . . . . 11 HIS HB3 . 16333 1 70 . 1 1 11 11 HIS HD2 H 1 7.075 0.02 . 1 . . . . 11 HIS HD2 . 16333 1 71 . 1 1 11 11 HIS HE1 H 1 8.140 0.05 . 9 . . . . 11 HIS HE1 . 16333 1 72 . 1 1 12 12 LEU H H 1 8.507 0.02 . 1 . . . . 12 LEU H . 16333 1 73 . 1 1 12 12 LEU HA H 1 4.157 0.02 . 1 . . . . 12 LEU HA . 16333 1 74 . 1 1 12 12 LEU HB2 H 1 1.888 0.04 . 2 . . . . 12 LEU HB2 . 16333 1 75 . 1 1 12 12 LEU HD11 H 1 0.974 0.03 . 2 . . . . 12 LEU HD1 . 16333 1 76 . 1 1 12 12 LEU HD12 H 1 0.974 0.03 . 2 . . . . 12 LEU HD1 . 16333 1 77 . 1 1 12 12 LEU HD13 H 1 0.974 0.03 . 2 . . . . 12 LEU HD1 . 16333 1 78 . 1 1 12 12 LEU HG H 1 1.800 0.02 . 1 . . . . 12 LEU HG . 16333 1 79 . 1 1 13 13 ALA H H 1 7.995 0.05 . 9 . . . . 13 ALA H . 16333 1 80 . 1 1 13 13 ALA HA H 1 4.137 0.05 . 9 . . . . 13 ALA HA . 16333 1 81 . 1 1 13 13 ALA HB1 H 1 1.592 0.02 . 1 . . . . 13 ALA HB . 16333 1 82 . 1 1 13 13 ALA HB2 H 1 1.592 0.02 . 1 . . . . 13 ALA HB . 16333 1 83 . 1 1 13 13 ALA HB3 H 1 1.592 0.02 . 1 . . . . 13 ALA HB . 16333 1 84 . 1 1 14 14 HIS H H 1 8.007 0.02 . 1 . . . . 14 HIS H . 16333 1 85 . 1 1 14 14 HIS HA H 1 4.331 0.02 . 1 . . . . 14 HIS HA . 16333 1 86 . 1 1 14 14 HIS HB2 H 1 3.340 0.02 . 1 . . . . 14 HIS HB2 . 16333 1 87 . 1 1 14 14 HIS HB3 H 1 3.298 0.02 . 1 . . . . 14 HIS HB3 . 16333 1 88 . 1 1 14 14 HIS HD2 H 1 7.021 0.02 . 1 . . . . 14 HIS HD2 . 16333 1 89 . 1 1 14 14 HIS HE1 H 1 8.292 0.04 . 5 . . . . 14 HIS HE1 . 16333 1 90 . 1 1 15 15 LEU H H 1 8.086 0.02 . 1 . . . . 15 LEU H . 16333 1 91 . 1 1 15 15 LEU HA H 1 4.088 0.02 . 1 . . . . 15 LEU HA . 16333 1 92 . 1 1 15 15 LEU HB2 H 1 1.861 0.03 . 2 . . . . 15 LEU HB2 . 16333 1 93 . 1 1 15 15 LEU HD11 H 1 0.955 0.03 . 2 . . . . 15 LEU HD1 . 16333 1 94 . 1 1 15 15 LEU HD12 H 1 0.955 0.03 . 2 . . . . 15 LEU HD1 . 16333 1 95 . 1 1 15 15 LEU HD13 H 1 0.955 0.03 . 2 . . . . 15 LEU HD1 . 16333 1 96 . 1 1 15 15 LEU HG H 1 1.753 0.02 . 1 . . . . 15 LEU HG . 16333 1 97 . 1 1 16 16 ALA H H 1 8.648 0.02 . 1 . . . . 16 ALA H . 16333 1 98 . 1 1 16 16 ALA HA H 1 4.004 0.02 . 1 . . . . 16 ALA HA . 16333 1 99 . 1 1 16 16 ALA HB1 H 1 1.522 0.02 . 1 . . . . 16 ALA HB . 16333 1 100 . 1 1 16 16 ALA HB2 H 1 1.522 0.02 . 1 . . . . 16 ALA HB . 16333 1 101 . 1 1 16 16 ALA HB3 H 1 1.522 0.02 . 1 . . . . 16 ALA HB . 16333 1 102 . 1 1 17 17 LEU H H 1 8.287 0.05 . 9 . . . . 17 LEU H . 16333 1 103 . 1 1 17 17 LEU HA H 1 4.177 0.02 . 1 . . . . 17 LEU HA . 16333 1 104 . 1 1 17 17 LEU HB2 H 1 1.956 0.03 . 2 . . . . 17 LEU HB2 . 16333 1 105 . 1 1 17 17 LEU HD11 H 1 1.021 0.03 . 2 . . . . 17 LEU HD1 . 16333 1 106 . 1 1 17 17 LEU HD12 H 1 1.021 0.03 . 2 . . . . 17 LEU HD1 . 16333 1 107 . 1 1 17 17 LEU HD13 H 1 1.021 0.03 . 2 . . . . 17 LEU HD1 . 16333 1 108 . 1 1 17 17 LEU HG H 1 1.832 0.02 . 1 . . . . 17 LEU HG . 16333 1 109 . 1 1 18 18 HIS H H 1 8.232 0.02 . 1 . . . . 18 HIS H . 16333 1 110 . 1 1 18 18 HIS HA H 1 4.522 0.02 . 1 . . . . 18 HIS HA . 16333 1 111 . 1 1 18 18 HIS HB2 H 1 3.283 0.02 . 1 . . . . 18 HIS HB2 . 16333 1 112 . 1 1 18 18 HIS HB3 H 1 3.200 0.02 . 1 . . . . 18 HIS HB3 . 16333 1 113 . 1 1 18 18 HIS HD2 H 1 7.076 0.02 . 1 . . . . 18 HIS HD2 . 16333 1 114 . 1 1 18 18 HIS HE1 H 1 8.272 0.04 . 5 . . . . 18 HIS HE1 . 16333 1 115 . 1 1 19 19 LEU H H 1 8.776 0.02 . 1 . . . . 19 LEU H . 16333 1 116 . 1 1 19 19 LEU HA H 1 4.177 0.02 . 1 . . . . 19 LEU HA . 16333 1 117 . 1 1 19 19 LEU HB2 H 1 1.949 0.03 . 2 . . . . 19 LEU HB2 . 16333 1 118 . 1 1 19 19 LEU HB3 H 1 1.887 0.03 . 2 . . . . 19 LEU HB3 . 16333 1 119 . 1 1 19 19 LEU HD11 H 1 0.949 0.03 . 2 . . . . 19 LEU HD1 . 16333 1 120 . 1 1 19 19 LEU HD12 H 1 0.949 0.03 . 2 . . . . 19 LEU HD1 . 16333 1 121 . 1 1 19 19 LEU HD13 H 1 0.949 0.03 . 2 . . . . 19 LEU HD1 . 16333 1 122 . 1 1 19 19 LEU HG H 1 1.766 0.02 . 1 . . . . 19 LEU HG . 16333 1 123 . 1 1 20 20 ALA H H 1 8.470 0.05 . 9 . . . . 20 ALA H . 16333 1 124 . 1 1 20 20 ALA HA H 1 4.016 0.02 . 1 . . . . 20 ALA HA . 16333 1 125 . 1 1 20 20 ALA HB1 H 1 1.568 0.02 . 1 . . . . 20 ALA HB . 16333 1 126 . 1 1 20 20 ALA HB2 H 1 1.568 0.02 . 1 . . . . 20 ALA HB . 16333 1 127 . 1 1 20 20 ALA HB3 H 1 1.568 0.02 . 1 . . . . 20 ALA HB . 16333 1 128 . 1 1 21 21 LEU H H 1 8.157 0.02 . 1 . . . . 21 LEU H . 16333 1 129 . 1 1 21 21 LEU HA H 1 4.092 0.02 . 1 . . . . 21 LEU HA . 16333 1 130 . 1 1 21 21 LEU HB2 H 1 1.912 0.03 . 2 . . . . 21 LEU HB2 . 16333 1 131 . 1 1 21 21 LEU HD11 H 1 0.940 0.03 . 2 . . . . 21 LEU HD1 . 16333 1 132 . 1 1 21 21 LEU HD12 H 1 0.940 0.03 . 2 . . . . 21 LEU HD1 . 16333 1 133 . 1 1 21 21 LEU HD13 H 1 0.940 0.03 . 2 . . . . 21 LEU HD1 . 16333 1 134 . 1 1 21 21 LEU HG H 1 1.634 0.02 . 1 . . . . 21 LEU HG . 16333 1 135 . 1 1 22 22 ALA H H 1 7.955 0.05 . 9 . . . . 22 ALA H . 16333 1 136 . 1 1 22 22 ALA HA H 1 4.205 0.05 . 9 . . . . 22 ALA HA . 16333 1 137 . 1 1 22 22 ALA HB1 H 1 1.575 0.05 . 9 . . . . 22 ALA HB . 16333 1 138 . 1 1 22 22 ALA HB2 H 1 1.575 0.05 . 9 . . . . 22 ALA HB . 16333 1 139 . 1 1 22 22 ALA HB3 H 1 1.575 0.05 . 9 . . . . 22 ALA HB . 16333 1 140 . 1 1 23 23 LEU H H 1 8.214 0.02 . 1 . . . . 23 LEU H . 16333 1 141 . 1 1 23 23 LEU HA H 1 4.164 0.02 . 1 . . . . 23 LEU HA . 16333 1 142 . 1 1 23 23 LEU HB2 H 1 1.968 0.03 . 2 . . . . 23 LEU HB2 . 16333 1 143 . 1 1 23 23 LEU HB3 H 1 1.941 0.03 . 2 . . . . 23 LEU HB3 . 16333 1 144 . 1 1 23 23 LEU HD11 H 1 0.954 0.03 . 2 . . . . 23 LEU HD1 . 16333 1 145 . 1 1 23 23 LEU HD12 H 1 0.954 0.03 . 2 . . . . 23 LEU HD1 . 16333 1 146 . 1 1 23 23 LEU HD13 H 1 0.954 0.03 . 2 . . . . 23 LEU HD1 . 16333 1 147 . 1 1 23 23 LEU HG H 1 1.636 0.02 . 1 . . . . 23 LEU HG . 16333 1 148 . 1 1 24 24 LYS H H 1 7.991 0.02 . 1 . . . . 24 LYS H . 16333 1 149 . 1 1 24 24 LYS HA H 1 4.142 0.02 . 1 . . . . 24 LYS HA . 16333 1 150 . 1 1 24 24 LYS HB2 H 1 2.048 0.03 . 2 . . . . 24 LYS HB2 . 16333 1 151 . 1 1 24 24 LYS HD2 H 1 1.965 0.03 . 2 . . . . 24 LYS HD2 . 16333 1 152 . 1 1 24 24 LYS HE2 H 1 3.032 0.03 . 2 . . . . 24 LYS HE2 . 16333 1 153 . 1 1 24 24 LYS HG2 H 1 1.758 0.03 . 2 . . . . 24 LYS HG2 . 16333 1 154 . 1 1 25 25 LYS H H 1 7.869 0.05 . 9 . . . . 25 LYS H . 16333 1 155 . 1 1 25 25 LYS HA H 1 4.237 0.02 . 1 . . . . 25 LYS HA . 16333 1 156 . 1 1 25 25 LYS HB2 H 1 1.970 0.03 . 2 . . . . 25 LYS HB2 . 16333 1 157 . 1 1 25 25 LYS HD2 H 1 1.772 0.03 . 2 . . . . 25 LYS HD2 . 16333 1 158 . 1 1 25 25 LYS HE2 H 1 3.050 0.03 . 2 . . . . 25 LYS HE2 . 16333 1 159 . 1 1 25 25 LYS HG2 H 1 1.627 0.03 . 2 . . . . 25 LYS HG2 . 16333 1 160 . 1 1 26 26 ALA H H 1 7.855 0.05 . 9 . . . . 26 ALA H . 16333 1 161 . 1 1 26 26 ALA HA H 1 4.255 0.04 . 5 . . . . 26 ALA HA . 16333 1 162 . 1 1 26 26 ALA HB1 H 1 1.537 0.02 . 1 . . . . 26 ALA HB . 16333 1 163 . 1 1 26 26 ALA HB2 H 1 1.537 0.02 . 1 . . . . 26 ALA HB . 16333 1 164 . 1 1 26 26 ALA HB3 H 1 1.537 0.02 . 1 . . . . 26 ALA HB . 16333 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 65 16333 1 1 89 16333 1 1 114 16333 1 2 161 16333 1 stop_ save_