data_36228 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36228 _Entry.Title ; Three-dimensional Solution NMR Structure of KYE28-PEG48 in Microgel ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-12-27 _Entry.Accession_date 2019-01-10 _Entry.Last_release_date 2019-01-10 _Entry.Original_release_date 2019-01-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36228 stop_ 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 H. Ilyas H. . . . 36228 2 A. Bhunia A. . . . 36228 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ANTIMICROBIAL PROTEIN' . 36228 'Antimicrobial peptide' . 36228 'Drug delivery' . 36228 Microgel . 36228 PEGylation . 36228 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36228 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 172 36228 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 . . 2019-01-14 . original BMRB . 36228 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6J12 'BMRB Entry Stacking System' 36228 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36228 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.colsurfa.2018.12.049 _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Microgels as carriers of antimicrobial peptides - Effects of peptide PEGylation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Colloids Surf. A Physicochem. Eng. Asp.' _Citation.Journal_name_full 'Colloids and Surfaces A: Physicochemical and Engineering Aspects' _Citation.Journal_volume 565 _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 8 _Citation.Page_last 15 _Citation.Year 2019 _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 Randi Nordstrom R. . . . 36228 1 2 Lina Nystrom L. . . . 36228 1 3 Humaira Ilyas H. . . . 36228 1 4 'Hanudatta S.' Atreya H. S. . . 36228 1 5 'Bruno C.' Borro B. C. . . 36228 1 6 Anirban Bhunia A. . . . 36228 1 7 Martin Malmsten M. . . . 36228 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36228 _Assembly.ID 1 _Assembly.Name 'Heparin cofactor 2' _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 entity_1 1 $entity_1 A A yes . . . . . . 36228 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36228 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Heparin cofactor 2' _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 ; KYEITTIHNLFRKLTHRLFR RNFGYTLR ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 28 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3604.239 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID KYE28-PEG48 na 36228 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 1 LYS . 36228 1 2 2 TYR . 36228 1 3 3 GLU . 36228 1 4 4 ILE . 36228 1 5 5 THR . 36228 1 6 6 THR . 36228 1 7 7 ILE . 36228 1 8 8 HIS . 36228 1 9 9 ASN . 36228 1 10 10 LEU . 36228 1 11 11 PHE . 36228 1 12 12 ARG . 36228 1 13 13 LYS . 36228 1 14 14 LEU . 36228 1 15 15 THR . 36228 1 16 16 HIS . 36228 1 17 17 ARG . 36228 1 18 18 LEU . 36228 1 19 19 PHE . 36228 1 20 20 ARG . 36228 1 21 21 ARG . 36228 1 22 22 ASN . 36228 1 23 23 PHE . 36228 1 24 24 GLY . 36228 1 25 25 TYR . 36228 1 26 26 THR . 36228 1 27 27 LEU . 36228 1 28 28 ARG . 36228 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 36228 1 . TYR 2 2 36228 1 . GLU 3 3 36228 1 . ILE 4 4 36228 1 . THR 5 5 36228 1 . THR 6 6 36228 1 . ILE 7 7 36228 1 . HIS 8 8 36228 1 . ASN 9 9 36228 1 . LEU 10 10 36228 1 . PHE 11 11 36228 1 . ARG 12 12 36228 1 . LYS 13 13 36228 1 . LEU 14 14 36228 1 . THR 15 15 36228 1 . HIS 16 16 36228 1 . ARG 17 17 36228 1 . LEU 18 18 36228 1 . PHE 19 19 36228 1 . ARG 20 20 36228 1 . ARG 21 21 36228 1 . ASN 22 22 36228 1 . PHE 23 23 36228 1 . GLY 24 24 36228 1 . TYR 25 25 36228 1 . THR 26 26 36228 1 . LEU 27 27 36228 1 . ARG 28 28 36228 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 36228 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 36228 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 36228 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 36228 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36228 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM KYE28-PEG48, 55.5 M Water, 90% H2O/10% D2O' _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 KYE28-PEG48 'natural abundance' 1 $assembly 1 $entity_1 . protein 1 . . mM . . . . 36228 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36228 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36228 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 36228 _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' 1 0.01 mM 36228 1 pH 4.52 0.01 pH 36228 1 pressure 1 0.01 atm 36228 1 temperature 298 0.1 K 36228 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36228 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version v2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36228 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 36228 1 'structure calculation' 36228 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36228 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36228 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36228 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36228 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36228 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 36228 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36228 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36228 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 36228 4 stop_ 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 36228 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '700 MHz FT-NMR Spectrometer equipped with cryo-probe,' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 36228 _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 NMR_spectrometer_1 Bruker 'Bruker Avance III' . 700 . . . 36228 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 36228 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36228 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36228 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36228 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36228 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36228 _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 $chem_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' 1 $sample_1 isotropic 36228 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36228 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 LYS HA H 1 4.106 0.000 . 1 . . . . A 1 LYS HA . 36228 1 2 . 1 1 1 1 LYS HB2 H 1 1.819 0.003 . 2 . . . . A 1 LYS HB2 . 36228 1 3 . 1 1 1 1 LYS HB3 H 1 1.819 0.003 . 2 . . . . A 1 LYS HB3 . 36228 1 4 . 1 1 2 2 TYR H H 1 8.556 0.003 . 1 . . . . A 2 TYR H . 36228 1 5 . 1 1 2 2 TYR HA H 1 4.715 0.006 . 1 . . . . A 2 TYR HA . 36228 1 6 . 1 1 2 2 TYR HB2 H 1 3.245 0.003 . 1 . . . . A 2 TYR HB2 . 36228 1 7 . 1 1 2 2 TYR HB3 H 1 3.138 0.003 . 1 . . . . A 2 TYR HB3 . 36228 1 8 . 1 1 3 3 GLU H H 1 8.394 0.014 . 1 . . . . A 3 GLU H . 36228 1 9 . 1 1 3 3 GLU HA H 1 4.351 0.026 . 1 . . . . A 3 GLU HA . 36228 1 10 . 1 1 3 3 GLU HB2 H 1 1.965 0.004 . 1 . . . . A 3 GLU HB2 . 36228 1 11 . 1 1 3 3 GLU HB3 H 1 1.863 0.000 . 1 . . . . A 3 GLU HB3 . 36228 1 12 . 1 1 3 3 GLU HG2 H 1 2.237 0.002 . 2 . . . . A 3 GLU HG2 . 36228 1 13 . 1 1 3 3 GLU HG3 H 1 2.237 0.002 . 2 . . . . A 3 GLU HG3 . 36228 1 14 . 1 1 4 4 ILE H H 1 8.326 0.001 . 1 . . . . A 4 ILE H . 36228 1 15 . 1 1 4 4 ILE HA H 1 4.422 0.027 . 1 . . . . A 4 ILE HA . 36228 1 16 . 1 1 4 4 ILE HB H 1 1.633 0.000 . 1 . . . . A 4 ILE HB . 36228 1 17 . 1 1 4 4 ILE HG21 H 1 1.558 0.000 . 4 1 . . . A 4 ILE HG21 . 36228 1 18 . 1 1 4 4 ILE HG22 H 1 1.558 0.000 . 4 1 . . . A 4 ILE HG22 . 36228 1 19 . 1 1 4 4 ILE HG23 H 1 1.558 0.000 . 4 1 . . . A 4 ILE HG23 . 36228 1 20 . 1 1 4 4 ILE HD11 H 1 0.915 0.001 . 4 1 . . . A 4 ILE HD11 . 36228 1 21 . 1 1 4 4 ILE HD12 H 1 0.915 0.001 . 4 1 . . . A 4 ILE HD12 . 36228 1 22 . 1 1 4 4 ILE HD13 H 1 0.915 0.001 . 4 1 . . . A 4 ILE HD13 . 36228 1 23 . 1 1 5 5 THR H H 1 8.175 0.016 . 1 . . . . A 5 THR H . 36228 1 24 . 1 1 5 5 THR HA H 1 4.344 0.030 . 1 . . . . A 5 THR HA . 36228 1 25 . 1 1 5 5 THR HB H 1 4.211 0.000 . 1 . . . . A 5 THR HB . 36228 1 26 . 1 1 5 5 THR HG21 H 1 1.158 0.000 . 1 . . . . A 5 THR HG21 . 36228 1 27 . 1 1 5 5 THR HG22 H 1 1.158 0.000 . 1 . . . . A 5 THR HG22 . 36228 1 28 . 1 1 5 5 THR HG23 H 1 1.158 0.000 . 1 . . . . A 5 THR HG23 . 36228 1 29 . 1 1 6 6 THR H H 1 8.262 0.003 . 1 . . . . A 6 THR H . 36228 1 30 . 1 1 6 6 THR HA H 1 4.421 0.001 . 1 . . . . A 6 THR HA . 36228 1 31 . 1 1 6 6 THR HB H 1 4.280 0.009 . 1 . . . . A 6 THR HB . 36228 1 32 . 1 1 6 6 THR HG21 H 1 1.207 0.000 . 1 . . . . A 6 THR HG21 . 36228 1 33 . 1 1 6 6 THR HG22 H 1 1.207 0.000 . 1 . . . . A 6 THR HG22 . 36228 1 34 . 1 1 6 6 THR HG23 H 1 1.207 0.000 . 1 . . . . A 6 THR HG23 . 36228 1 35 . 1 1 7 7 ILE H H 1 8.070 0.004 . 1 . . . . A 7 ILE H . 36228 1 36 . 1 1 7 7 ILE HA H 1 4.253 0.003 . 1 . . . . A 7 ILE HA . 36228 1 37 . 1 1 7 7 ILE HB H 1 1.707 0.028 . 1 . . . . A 7 ILE HB . 36228 1 38 . 1 1 7 7 ILE HG21 H 1 1.545 0.001 . 4 2 . . . A 7 ILE HG21 . 36228 1 39 . 1 1 7 7 ILE HG22 H 1 1.545 0.001 . 4 2 . . . A 7 ILE HG22 . 36228 1 40 . 1 1 7 7 ILE HG23 H 1 1.545 0.001 . 4 2 . . . A 7 ILE HG23 . 36228 1 41 . 1 1 7 7 ILE HD11 H 1 0.850 0.006 . 4 2 . . . A 7 ILE HD11 . 36228 1 42 . 1 1 7 7 ILE HD12 H 1 0.850 0.006 . 4 2 . . . A 7 ILE HD12 . 36228 1 43 . 1 1 7 7 ILE HD13 H 1 0.850 0.006 . 4 2 . . . A 7 ILE HD13 . 36228 1 44 . 1 1 8 8 HIS H H 1 8.556 0.003 . 1 . . . . A 8 HIS H . 36228 1 45 . 1 1 8 8 HIS HA H 1 4.733 0.003 . 1 . . . . A 8 HIS HA . 36228 1 46 . 1 1 8 8 HIS HB2 H 1 3.244 0.031 . 1 . . . . A 8 HIS HB2 . 36228 1 47 . 1 1 8 8 HIS HB3 H 1 3.138 0.000 . 1 . . . . A 8 HIS HB3 . 36228 1 48 . 1 1 9 9 ASN H H 1 8.409 0.002 . 1 . . . . A 9 ASN H . 36228 1 49 . 1 1 9 9 ASN HA H 1 4.802 0.002 . 1 . . . . A 9 ASN HA . 36228 1 50 . 1 1 9 9 ASN HB2 H 1 2.739 0.003 . 2 . . . . A 9 ASN HB2 . 36228 1 51 . 1 1 9 9 ASN HB3 H 1 2.739 0.003 . 2 . . . . A 9 ASN HB3 . 36228 1 52 . 1 1 10 10 LEU H H 1 8.318 0.007 . 1 . . . . A 10 LEU H . 36228 1 53 . 1 1 10 10 LEU HA H 1 4.423 0.011 . 1 . . . . A 10 LEU HA . 36228 1 54 . 1 1 10 10 LEU HB2 H 1 1.628 0.004 . 2 . . . . A 10 LEU HB2 . 36228 1 55 . 1 1 10 10 LEU HB3 H 1 1.628 0.004 . 2 . . . . A 10 LEU HB3 . 36228 1 56 . 1 1 10 10 LEU HG H 1 1.5615 0.000 . 1 . . . . A 10 LEU HG . 36228 1 57 . 1 1 10 10 LEU HD11 H 1 0.894 0.001 . 2 . . . . A 10 LEU HD11 . 36228 1 58 . 1 1 10 10 LEU HD12 H 1 0.894 0.001 . 2 . . . . A 10 LEU HD12 . 36228 1 59 . 1 1 10 10 LEU HD13 H 1 0.894 0.001 . 2 . . . . A 10 LEU HD13 . 36228 1 60 . 1 1 10 10 LEU HD21 H 1 0.894 0.001 . 2 . . . . A 10 LEU HD21 . 36228 1 61 . 1 1 10 10 LEU HD22 H 1 0.894 0.001 . 2 . . . . A 10 LEU HD22 . 36228 1 62 . 1 1 10 10 LEU HD23 H 1 0.894 0.001 . 2 . . . . A 10 LEU HD23 . 36228 1 63 . 1 1 11 11 PHE H H 1 8.223 0.003 . 1 . . . . A 11 PHE H . 36228 1 64 . 1 1 11 11 PHE HA H 1 4.597 0.001 . 1 . . . . A 11 PHE HA . 36228 1 65 . 1 1 11 11 PHE HB2 H 1 3.150 0.000 . 1 . . . . A 11 PHE HB2 . 36228 1 66 . 1 1 11 11 PHE HB3 H 1 3.061 0.002 . 1 . . . . A 11 PHE HB3 . 36228 1 67 . 1 1 12 12 ARG H H 1 8.254 0.002 . 1 . . . . A 12 ARG H . 36228 1 68 . 1 1 12 12 ARG HA H 1 4.262 0.081 . 1 . . . . A 12 ARG HA . 36228 1 69 . 1 1 12 12 ARG HB2 H 1 1.751 0.000 . 2 . . . . A 12 ARG HB2 . 36228 1 70 . 1 1 12 12 ARG HB3 H 1 1.751 0.000 . 2 . . . . A 12 ARG HB3 . 36228 1 71 . 1 1 12 12 ARG HG2 H 1 1.628 0.000 . 2 . . . . A 12 ARG HG2 . 36228 1 72 . 1 1 12 12 ARG HG3 H 1 1.628 0.000 . 2 . . . . A 12 ARG HG3 . 36228 1 73 . 1 1 13 13 LYS H H 1 8.309 0.033 . 1 . . . . A 13 LYS H . 36228 1 74 . 1 1 13 13 LYS HA H 1 4.168 0.026 . 1 . . . . A 13 LYS HA . 36228 1 75 . 1 1 13 13 LYS HB2 H 1 1.863 0.000 . 2 . . . . A 13 LYS HB2 . 36228 1 76 . 1 1 13 13 LYS HB3 H 1 1.863 0.000 . 2 . . . . A 13 LYS HB3 . 36228 1 77 . 1 1 13 13 LYS HG2 H 1 1.563 0.003 . 2 . . . . A 13 LYS HG2 . 36228 1 78 . 1 1 13 13 LYS HG3 H 1 1.563 0.003 . 2 . . . . A 13 LYS HG3 . 36228 1 79 . 1 1 13 13 LYS HD2 H 1 1.635 0.000 . 2 . . . . A 13 LYS HD2 . 36228 1 80 . 1 1 13 13 LYS HD3 H 1 1.635 0.000 . 2 . . . . A 13 LYS HD3 . 36228 1 81 . 1 1 14 14 LEU H H 1 8.267 0.016 . 1 . . . . A 14 LEU H . 36228 1 82 . 1 1 14 14 LEU HA H 1 4.420 0.002 . 1 . . . . A 14 LEU HA . 36228 1 83 . 1 1 14 14 LEU HB2 H 1 1.754 0.001 . 2 . . . . A 14 LEU HB2 . 36228 1 84 . 1 1 14 14 LEU HB3 H 1 1.754 0.001 . 2 . . . . A 14 LEU HB3 . 36228 1 85 . 1 1 14 14 LEU HG H 1 1.628 0.001 . 1 . . . . A 14 LEU HG . 36228 1 86 . 1 1 14 14 LEU HD11 H 1 0.913 0.003 . 2 . . . . A 14 LEU HD11 . 36228 1 87 . 1 1 14 14 LEU HD12 H 1 0.913 0.003 . 2 . . . . A 14 LEU HD12 . 36228 1 88 . 1 1 14 14 LEU HD13 H 1 0.913 0.003 . 2 . . . . A 14 LEU HD13 . 36228 1 89 . 1 1 14 14 LEU HD21 H 1 0.913 0.003 . 2 . . . . A 14 LEU HD21 . 36228 1 90 . 1 1 14 14 LEU HD22 H 1 0.913 0.003 . 2 . . . . A 14 LEU HD22 . 36228 1 91 . 1 1 14 14 LEU HD23 H 1 0.913 0.003 . 2 . . . . A 14 LEU HD23 . 36228 1 92 . 1 1 15 15 THR H H 1 8.141 0.002 . 1 . . . . A 15 THR H . 36228 1 93 . 1 1 15 15 THR HA H 1 4.296 0.003 . 1 . . . . A 15 THR HA . 36228 1 94 . 1 1 15 15 THR HB H 1 4.146 0.006 . 1 . . . . A 15 THR HB . 36228 1 95 . 1 1 15 15 THR HG21 H 1 1.165 0.002 . 1 . . . . A 15 THR HG21 . 36228 1 96 . 1 1 15 15 THR HG22 H 1 1.165 0.002 . 1 . . . . A 15 THR HG22 . 36228 1 97 . 1 1 15 15 THR HG23 H 1 1.165 0.002 . 1 . . . . A 15 THR HG23 . 36228 1 98 . 1 1 16 16 HIS H H 1 8.467 0.002 . 1 . . . . A 16 HIS H . 36228 1 99 . 1 1 16 16 HIS HA H 1 4.803 0.015 . 1 . . . . A 16 HIS HA . 36228 1 100 . 1 1 16 16 HIS HB2 H 1 3.254 0.036 . 1 . . . . A 16 HIS HB2 . 36228 1 101 . 1 1 16 16 HIS HB3 H 1 3.139 0.003 . 1 . . . . A 16 HIS HB3 . 36228 1 102 . 1 1 17 17 ARG H H 1 8.070 0.081 . 1 . . . . A 17 ARG H . 36228 1 103 . 1 1 17 17 ARG HA H 1 4.255 0.182 . 1 . . . . A 17 ARG HA . 36228 1 104 . 1 1 17 17 ARG HB2 H 1 1.807 0.002 . 1 . . . . A 17 ARG HB2 . 36228 1 105 . 1 1 17 17 ARG HB3 H 1 1.699 0.003 . 1 . . . . A 17 ARG HB3 . 36228 1 106 . 1 1 17 17 ARG HG2 H 1 1.553 0.046 . 2 . . . . A 17 ARG HG2 . 36228 1 107 . 1 1 17 17 ARG HG3 H 1 1.553 0.046 . 2 . . . . A 17 ARG HG3 . 36228 1 108 . 1 1 18 18 LEU H H 1 8.337 0.004 . 1 . . . . A 18 LEU H . 36228 1 109 . 1 1 18 18 LEU HA H 1 4.360 0.004 . 1 . . . . A 18 LEU HA . 36228 1 110 . 1 1 18 18 LEU HB2 H 1 1.680 0.000 . 2 . . . . A 18 LEU HB2 . 36228 1 111 . 1 1 18 18 LEU HB3 H 1 1.680 0.000 . 2 . . . . A 18 LEU HB3 . 36228 1 112 . 1 1 18 18 LEU HG H 1 1.549 0.002 . 1 . . . . A 18 LEU HG . 36228 1 113 . 1 1 18 18 LEU HD11 H 1 0.927 0.000 . 2 . . . . A 18 LEU HD11 . 36228 1 114 . 1 1 18 18 LEU HD12 H 1 0.927 0.000 . 2 . . . . A 18 LEU HD12 . 36228 1 115 . 1 1 18 18 LEU HD13 H 1 0.927 0.000 . 2 . . . . A 18 LEU HD13 . 36228 1 116 . 1 1 18 18 LEU HD21 H 1 0.927 0.000 . 2 . . . . A 18 LEU HD21 . 36228 1 117 . 1 1 18 18 LEU HD22 H 1 0.927 0.000 . 2 . . . . A 18 LEU HD22 . 36228 1 118 . 1 1 18 18 LEU HD23 H 1 0.927 0.000 . 2 . . . . A 18 LEU HD23 . 36228 1 119 . 1 1 19 19 PHE H H 1 8.374 0.002 . 1 . . . . A 19 PHE H . 36228 1 120 . 1 1 19 19 PHE HA H 1 4.624 0.000 . 1 . . . . A 19 PHE HA . 36228 1 121 . 1 1 19 19 PHE HB2 H 1 3.070 0.001 . 1 . . . . A 19 PHE HB2 . 36228 1 122 . 1 1 19 19 PHE HB3 H 1 3.007 0.002 . 1 . . . . A 19 PHE HB3 . 36228 1 123 . 1 1 20 20 ARG H H 1 8.223 0.024 . 1 . . . . A 20 ARG H . 36228 1 124 . 1 1 20 20 ARG HA H 1 4.267 0.064 . 1 . . . . A 20 ARG HA . 36228 1 125 . 1 1 20 20 ARG HB2 H 1 1.764 0.029 . 2 . . . . A 20 ARG HB2 . 36228 1 126 . 1 1 20 20 ARG HB3 H 1 1.764 0.029 . 2 . . . . A 20 ARG HB3 . 36228 1 127 . 1 1 20 20 ARG HG2 H 1 1.668 0.048 . 2 . . . . A 20 ARG HG2 . 36228 1 128 . 1 1 20 20 ARG HG3 H 1 1.668 0.048 . 2 . . . . A 20 ARG HG3 . 36228 1 129 . 1 1 21 21 ARG H H 1 8.339 0.262 . 1 . . . . A 21 ARG H . 36228 1 130 . 1 1 21 21 ARG HA H 1 4.193 0.068 . 1 . . . . A 21 ARG HA . 36228 1 131 . 1 1 21 21 ARG HB2 H 1 1.686 0.023 . 2 . . . . A 21 ARG HB2 . 36228 1 132 . 1 1 21 21 ARG HB3 H 1 1.686 0.023 . 2 . . . . A 21 ARG HB3 . 36228 1 133 . 1 1 21 21 ARG HG2 H 1 1.551 0.011 . 2 . . . . A 21 ARG HG2 . 36228 1 134 . 1 1 21 21 ARG HG3 H 1 1.551 0.011 . 2 . . . . A 21 ARG HG3 . 36228 1 135 . 1 1 22 22 ASN H H 1 8.446 0.005 . 1 . . . . A 22 ASN H . 36228 1 136 . 1 1 22 22 ASN HA H 1 4.661 0.028 . 1 . . . . A 22 ASN HA . 36228 1 137 . 1 1 22 22 ASN HB2 H 1 2.765 0.007 . 1 . . . . A 22 ASN HB2 . 36228 1 138 . 1 1 22 22 ASN HB3 H 1 2.707 0.005 . 1 . . . . A 22 ASN HB3 . 36228 1 139 . 1 1 23 23 PHE H H 1 8.241 0.006 . 1 . . . . A 23 PHE H . 36228 1 140 . 1 1 23 23 PHE HA H 1 4.573 0.005 . 1 . . . . A 23 PHE HA . 36228 1 141 . 1 1 23 23 PHE HB2 H 1 3.110 0.001 . 1 . . . . A 23 PHE HB2 . 36228 1 142 . 1 1 23 23 PHE HB3 H 1 2.956 0.002 . 1 . . . . A 23 PHE HB3 . 36228 1 143 . 1 1 24 24 GLY H H 1 8.315 0.002 . 1 . . . . A 24 GLY H . 36228 1 144 . 1 1 24 24 GLY HA2 H 1 3.883 0.005 . 1 . . . . A 24 GLY HA2 . 36228 1 145 . 1 1 24 24 GLY HA3 H 1 3.883 0.005 . 1 . . . . A 24 GLY HA3 . 36228 1 146 . 1 1 25 25 TYR H H 1 7.980 0.003 . 1 . . . . A 25 TYR H . 36228 1 147 . 1 1 25 25 TYR HA H 1 4.638 0.001 . 1 . . . . A 25 TYR HA . 36228 1 148 . 1 1 25 25 TYR HB2 H 1 3.063 0.001 . 1 . . . . A 25 TYR HB2 . 36228 1 149 . 1 1 25 25 TYR HB3 H 1 2.970 0.000 . 1 . . . . A 25 TYR HB3 . 36228 1 150 . 1 1 26 26 THR H H 1 8.127 0.001 . 1 . . . . A 26 THR H . 36228 1 151 . 1 1 26 26 THR HA H 1 4.291 0.002 . 1 . . . . A 26 THR HA . 36228 1 152 . 1 1 26 26 THR HB H 1 4.137 0.003 . 1 . . . . A 26 THR HB . 36228 1 153 . 1 1 26 26 THR HG21 H 1 1.170 0.002 . 1 . . . . A 26 THR HG21 . 36228 1 154 . 1 1 26 26 THR HG22 H 1 1.170 0.002 . 1 . . . . A 26 THR HG22 . 36228 1 155 . 1 1 26 26 THR HG23 H 1 1.170 0.002 . 1 . . . . A 26 THR HG23 . 36228 1 156 . 1 1 27 27 LEU H H 1 8.337 0.004 . 1 . . . . A 27 LEU H . 36228 1 157 . 1 1 27 27 LEU HA H 1 4.358 0.001 . 1 . . . . A 27 LEU HA . 36228 1 158 . 1 1 27 27 LEU HB2 H 1 1.680 0.000 . 2 . . . . A 27 LEU HB2 . 36228 1 159 . 1 1 27 27 LEU HB3 H 1 1.680 0.000 . 2 . . . . A 27 LEU HB3 . 36228 1 160 . 1 1 27 27 LEU HG H 1 1.562 0.000 . 1 . . . . A 27 LEU HG . 36228 1 161 . 1 1 27 27 LEU HD11 H 1 0.898 0.007 . 2 . . . . A 27 LEU HD11 . 36228 1 162 . 1 1 27 27 LEU HD12 H 1 0.898 0.007 . 2 . . . . A 27 LEU HD12 . 36228 1 163 . 1 1 27 27 LEU HD13 H 1 0.898 0.007 . 2 . . . . A 27 LEU HD13 . 36228 1 164 . 1 1 27 27 LEU HD21 H 1 0.898 0.007 . 2 . . . . A 27 LEU HD21 . 36228 1 165 . 1 1 27 27 LEU HD22 H 1 0.898 0.007 . 2 . . . . A 27 LEU HD22 . 36228 1 166 . 1 1 27 27 LEU HD23 H 1 0.898 0.007 . 2 . . . . A 27 LEU HD23 . 36228 1 167 . 1 1 28 28 ARG H H 1 8.072 0.005 . 1 . . . . A 28 ARG H . 36228 1 168 . 1 1 28 28 ARG HA H 1 4.109 0.000 . 1 . . . . A 28 ARG HA . 36228 1 169 . 1 1 28 28 ARG HB2 H 1 1.811 0.000 . 2 . . . . A 28 ARG HB2 . 36228 1 170 . 1 1 28 28 ARG HB3 H 1 1.811 0.000 . 2 . . . . A 28 ARG HB3 . 36228 1 171 . 1 1 28 28 ARG HG2 H 1 1.697 0.000 . 2 . . . . A 28 ARG HG2 . 36228 1 172 . 1 1 28 28 ARG HG3 H 1 1.697 0.000 . 2 . . . . A 28 ARG HG3 . 36228 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 17 36228 1 1 18 36228 1 1 19 36228 1 1 20 36228 1 1 21 36228 1 1 22 36228 1 2 38 36228 1 2 39 36228 1 2 40 36228 1 2 41 36228 1 2 42 36228 1 2 43 36228 1 stop_ save_