data_34928 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34928 _Entry.Title ; Trp-cage fortified Tc5b-Exenatide chimera (Ex4-Tc5bER) at 299K ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-07-08 _Entry.Accession_date 2024-07-08 _Entry.Last_release_date 2024-07-24 _Entry.Original_release_date 2024-07-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 D. Horvath D. . . . 34928 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 34928 Exenatide . 34928 'GLP-1R ligand' . 34928 Trp-cage . 34928 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34928 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 170 34928 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 . . 2024-10-02 2024-07-08 update BMRB 'update entry citation' 34928 1 . . 2024-09-16 2024-07-08 original author 'original release' 34928 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9G0N 'BMRB Entry Tracking System' 34928 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34928 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39254428 _Citation.DOI 10.1021/acs.jmedchem.4c01553 _Citation.Full_citation . _Citation.Title ; Influence of Trp-Cage on the Function and Stability of GLP-1R Agonist Exenatide Derivatives ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full 'Journal of medicinal chemistry' _Citation.Journal_volume 67 _Citation.Journal_issue 18 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4804 _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 16757 _Citation.Page_last 16772 _Citation.Year 2024 _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 Daniel Horvath D. . . . 34928 1 2 Pal Straner P. . . . 34928 1 3 Nora Taricska N. . . . 34928 1 4 Zsolt Fazekas Z. . . . 34928 1 5 Dora Menyhard D. K. . . 34928 1 6 Andras Perczel A. . . . 34928 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34928 _Assembly.ID 1 _Assembly.Name miniprotein _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 unit_1 1 $entity_1 A A yes . . . . . . 34928 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34928 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; EEEAVRLYIQWLKEGGPSSG RPPPS ; _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 25 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2786.079 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLU . 34928 1 2 . GLU . 34928 1 3 . GLU . 34928 1 4 . ALA . 34928 1 5 . VAL . 34928 1 6 . ARG . 34928 1 7 . LEU . 34928 1 8 . TYR . 34928 1 9 . ILE . 34928 1 10 . GLN . 34928 1 11 . TRP . 34928 1 12 . LEU . 34928 1 13 . LYS . 34928 1 14 . GLU . 34928 1 15 . GLY . 34928 1 16 . GLY . 34928 1 17 . PRO . 34928 1 18 . SER . 34928 1 19 . SER . 34928 1 20 . GLY . 34928 1 21 . ARG . 34928 1 22 . PRO . 34928 1 23 . PRO . 34928 1 24 . PRO . 34928 1 25 . SER . 34928 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 . GLU 1 1 34928 1 . GLU 2 2 34928 1 . GLU 3 3 34928 1 . ALA 4 4 34928 1 . VAL 5 5 34928 1 . ARG 6 6 34928 1 . LEU 7 7 34928 1 . TYR 8 8 34928 1 . ILE 9 9 34928 1 . GLN 10 10 34928 1 . TRP 11 11 34928 1 . LEU 12 12 34928 1 . LYS 13 13 34928 1 . GLU 14 14 34928 1 . GLY 15 15 34928 1 . GLY 16 16 34928 1 . PRO 17 17 34928 1 . SER 18 18 34928 1 . SER 19 19 34928 1 . GLY 20 20 34928 1 . ARG 21 21 34928 1 . PRO 22 22 34928 1 . PRO 23 23 34928 1 . PRO 24 24 34928 1 . SER 25 25 34928 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 34928 _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 . 8554 organism . 'Heloderma suspectum' 'Gila monster' . . Eukaryota Metazoa Heloderma suspectum . . . . . . . . . . . . . 34928 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 34928 _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 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34928 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34928 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM non-labelled polypeptide, 1 % non-labelled sodium-azide, 1 % non-labelled DSS, 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 polypeptide 'natural abundance' . . 1 $entity_1 . . 0.8 . . mM . . . . 34928 1 2 sodium-azide 'natural abundance' . . . . . . 1 . . % . . . . 34928 1 3 DSS 'natural abundance' . . . . . . 1 . . % . . . . 34928 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 34928 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.2 pH 34928 1 pressure 1 . atm 34928 1 temperature 299 . K 34928 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34928 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis Assign' _Software.Version 2.4.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34928 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34928 1 'peak picking' . 34928 1 refinement . 34928 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34928 _Software.ID 2 _Software.Type . _Software.Name ARIA2alpha _Software.Version 2.3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rieping, W.' . . 34928 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34928 2 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 34928 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model '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 34928 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 700 . . . 34928 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 34928 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34928 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34928 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34928 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 34928 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34928 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 34928 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 COSY' . . . 34928 1 2 '2D 1H-1H TOCSY' . . . 34928 1 3 '2D 1H-1H NOESY' . . . 34928 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 GLU HA H 1 4.032463714 0.0004016151809 . 1 . . . . A 1 GLU HA . 34928 1 2 . 1 . 1 1 1 GLU HB2 H 1 2.354681189 0.008337057966 . 2 . . . . A 1 GLU HB2 . 34928 1 3 . 1 . 1 1 1 GLU HB3 H 1 2.354681189 0.008337057966 . 2 . . . . A 1 GLU HB3 . 34928 1 4 . 1 . 1 1 1 GLU HG2 H 1 2.057288035 0.00335931854 . 2 . . . . A 1 GLU HG2 . 34928 1 5 . 1 . 1 1 1 GLU HG3 H 1 2.057288035 0.00335931854 . 2 . . . . A 1 GLU HG3 . 34928 1 6 . 1 . 1 2 2 GLU HA H 1 4.334942426 0.0008938273558 . 1 . . . . A 2 GLU HA . 34928 1 7 . 1 . 1 2 2 GLU HB2 H 1 2.011917814 0.004913325331 . 2 . . . . A 2 GLU HB2 . 34928 1 8 . 1 . 1 2 2 GLU HB3 H 1 2.202267277 0.007631244534 . 2 . . . . A 2 GLU HB3 . 34928 1 9 . 1 . 1 2 2 GLU HG2 H 1 2.364635245 0.003168728099 . 2 . . . . A 2 GLU HG2 . 34928 1 10 . 1 . 1 2 2 GLU HG3 H 1 2.365866586 0.002229361339 . 2 . . . . A 2 GLU HG3 . 34928 1 11 . 1 . 1 3 3 GLU H H 1 8.949304616 0.0005713028433 . 1 . . . . A 3 GLU H . 34928 1 12 . 1 . 1 3 3 GLU HA H 1 4.149469475 0.002587194173 . 1 . . . . A 3 GLU HA . 34928 1 13 . 1 . 1 3 3 GLU HB2 H 1 2.042443415 0.004329152201 . 2 . . . . A 3 GLU HB2 . 34928 1 14 . 1 . 1 3 3 GLU HB3 H 1 2.093146158 0.004223500778 . 2 . . . . A 3 GLU HB3 . 34928 1 15 . 1 . 1 3 3 GLU HG2 H 1 2.320363307 0.00272801113 . 2 . . . . A 3 GLU HG2 . 34928 1 16 . 1 . 1 3 3 GLU HG3 H 1 2.320363307 0.00272801113 . 2 . . . . A 3 GLU HG3 . 34928 1 17 . 1 . 1 4 4 ALA H H 1 8.575623778 0.0007708445989 . 1 . . . . A 4 ALA H . 34928 1 18 . 1 . 1 4 4 ALA HA H 1 4.109137732 0.003022808865 . 1 . . . . A 4 ALA HA . 34928 1 19 . 1 . 1 4 4 ALA HB1 H 1 1.444605092 0.002625755166 . 1 . . . . A 4 ALA HB1 . 34928 1 20 . 1 . 1 4 4 ALA HB2 H 1 1.444605092 0.002625755166 . 1 . . . . A 4 ALA HB2 . 34928 1 21 . 1 . 1 4 4 ALA HB3 H 1 1.444605092 0.002625755166 . 1 . . . . A 4 ALA HB3 . 34928 1 22 . 1 . 1 5 5 VAL H H 1 7.474633039 0.0007068043887 . 1 . . . . A 5 VAL H . 34928 1 23 . 1 . 1 5 5 VAL HA H 1 3.880452061 0.003008683193 . 1 . . . . A 5 VAL HA . 34928 1 24 . 1 . 1 5 5 VAL HB H 1 2.20270273 0.002287828298 . 1 . . . . A 5 VAL HB . 34928 1 25 . 1 . 1 5 5 VAL HG11 H 1 1.027561725 0.005604055614 . 2 . . . . A 5 VAL HG11 . 34928 1 26 . 1 . 1 5 5 VAL HG12 H 1 1.027561725 0.005604055614 . 2 . . . . A 5 VAL HG12 . 34928 1 27 . 1 . 1 5 5 VAL HG13 H 1 1.027561725 0.005604055614 . 2 . . . . A 5 VAL HG13 . 34928 1 28 . 1 . 1 5 5 VAL HG21 H 1 1.039882462 0.004372869579 . 2 . . . . A 5 VAL HG21 . 34928 1 29 . 1 . 1 5 5 VAL HG22 H 1 1.039882462 0.004372869579 . 2 . . . . A 5 VAL HG22 . 34928 1 30 . 1 . 1 5 5 VAL HG23 H 1 1.039882462 0.004372869579 . 2 . . . . A 5 VAL HG23 . 34928 1 31 . 1 . 1 6 6 ARG H H 1 7.941954087 0.00080275124 . 1 . . . . A 6 ARG H . 34928 1 32 . 1 . 1 6 6 ARG HA H 1 4.048076427 0.002210594022 . 1 . . . . A 6 ARG HA . 34928 1 33 . 1 . 1 6 6 ARG HB2 H 1 1.919976659 0.0006536941516 . 2 . . . . A 6 ARG HB2 . 34928 1 34 . 1 . 1 6 6 ARG HB3 H 1 1.972256005 0.001758719631 . 2 . . . . A 6 ARG HB3 . 34928 1 35 . 1 . 1 6 6 ARG HG2 H 1 1.583325745 0.002128086242 . 2 . . . . A 6 ARG HG2 . 34928 1 36 . 1 . 1 6 6 ARG HG3 H 1 1.729505473 0.00147105035 . 2 . . . . A 6 ARG HG3 . 34928 1 37 . 1 . 1 6 6 ARG HD2 H 1 3.204795204 0.001019897336 . 2 . . . . A 6 ARG HD2 . 34928 1 38 . 1 . 1 6 6 ARG HD3 H 1 3.279923705 0.002505993792 . 2 . . . . A 6 ARG HD3 . 34928 1 39 . 1 . 1 7 7 LEU H H 1 8.444334043 0.0008484698217 . 1 . . . . A 7 LEU H . 34928 1 40 . 1 . 1 7 7 LEU HA H 1 4.135998875 0.00254318407 . 1 . . . . A 7 LEU HA . 34928 1 41 . 1 . 1 7 7 LEU HB2 H 1 1.398061536 0.002923096929 . 2 . . . . A 7 LEU HB2 . 34928 1 42 . 1 . 1 7 7 LEU HB3 H 1 1.889604579 0.001995132858 . 2 . . . . A 7 LEU HB3 . 34928 1 43 . 1 . 1 7 7 LEU HG H 1 1.814213115 0.0007838741792 . 1 . . . . A 7 LEU HG . 34928 1 44 . 1 . 1 7 7 LEU HD11 H 1 0.8838555897 0.001612440648 . 2 . . . . A 7 LEU HD11 . 34928 1 45 . 1 . 1 7 7 LEU HD12 H 1 0.8838555897 0.001612440648 . 2 . . . . A 7 LEU HD12 . 34928 1 46 . 1 . 1 7 7 LEU HD13 H 1 0.8838555897 0.001612440648 . 2 . . . . A 7 LEU HD13 . 34928 1 47 . 1 . 1 7 7 LEU HD21 H 1 0.9160513594 0.00413833001 . 2 . . . . A 7 LEU HD21 . 34928 1 48 . 1 . 1 7 7 LEU HD22 H 1 0.9160513594 0.00413833001 . 2 . . . . A 7 LEU HD22 . 34928 1 49 . 1 . 1 7 7 LEU HD23 H 1 0.9160513594 0.00413833001 . 2 . . . . A 7 LEU HD23 . 34928 1 50 . 1 . 1 8 8 TYR H H 1 8.138635501 0.0006267456032 . 1 . . . . A 8 TYR H . 34928 1 51 . 1 . 1 8 8 TYR HA H 1 4.154561915 0.002885449301 . 1 . . . . A 8 TYR HA . 34928 1 52 . 1 . 1 8 8 TYR HB2 H 1 3.171005208 0.002701910342 . 2 . . . . A 8 TYR HB2 . 34928 1 53 . 1 . 1 8 8 TYR HB3 H 1 3.244257843 0.002592801899 . 2 . . . . A 8 TYR HB3 . 34928 1 54 . 1 . 1 8 8 TYR HD1 H 1 7.017635785 0.001463228453 . 3 . . . . A 8 TYR HD1 . 34928 1 55 . 1 . 1 8 8 TYR HD2 H 1 7.017635785 0.001463228453 . 3 . . . . A 8 TYR HD2 . 34928 1 56 . 1 . 1 8 8 TYR HE1 H 1 6.811576094 0.001497257947 . 3 . . . . A 8 TYR HE1 . 34928 1 57 . 1 . 1 8 8 TYR HE2 H 1 6.811576094 0.001497257947 . 3 . . . . A 8 TYR HE2 . 34928 1 58 . 1 . 1 9 9 ILE H H 1 8.474814896 0.0006454092442 . 1 . . . . A 9 ILE H . 34928 1 59 . 1 . 1 9 9 ILE HA H 1 3.7190641 0.002463220585 . 1 . . . . A 9 ILE HA . 34928 1 60 . 1 . 1 9 9 ILE HB H 1 2.035530761 0.003180482458 . 1 . . . . A 9 ILE HB . 34928 1 61 . 1 . 1 9 9 ILE HG12 H 1 1.377329032 0.002725805595 . 2 . . . . A 9 ILE HG12 . 34928 1 62 . 1 . 1 9 9 ILE HG13 H 1 1.854758189 0.003479509739 . 2 . . . . A 9 ILE HG13 . 34928 1 63 . 1 . 1 9 9 ILE HG21 H 1 0.9556668526 0.002022051871 . 1 . . . . A 9 ILE HG21 . 34928 1 64 . 1 . 1 9 9 ILE HG22 H 1 0.9556668526 0.002022051871 . 1 . . . . A 9 ILE HG22 . 34928 1 65 . 1 . 1 9 9 ILE HG23 H 1 0.9556668526 0.002022051871 . 1 . . . . A 9 ILE HG23 . 34928 1 66 . 1 . 1 9 9 ILE HD11 H 1 0.9171443786 0.001948679229 . 1 . . . . A 9 ILE HD11 . 34928 1 67 . 1 . 1 9 9 ILE HD12 H 1 0.9171443786 0.001948679229 . 1 . . . . A 9 ILE HD12 . 34928 1 68 . 1 . 1 9 9 ILE HD13 H 1 0.9171443786 0.001948679229 . 1 . . . . A 9 ILE HD13 . 34928 1 69 . 1 . 1 10 10 GLN H H 1 7.960916471 0.001265980168 . 1 . . . . A 10 GLN H . 34928 1 70 . 1 . 1 10 10 GLN HA H 1 4.018494082 0.004259384949 . 1 . . . . A 10 GLN HA . 34928 1 71 . 1 . 1 10 10 GLN HB2 H 1 2.129744802 0.004276190411 . 2 . . . . A 10 GLN HB2 . 34928 1 72 . 1 . 1 10 10 GLN HB3 H 1 2.198640925 0.001352687586 . 2 . . . . A 10 GLN HB3 . 34928 1 73 . 1 . 1 10 10 GLN HG2 H 1 2.407188018 0.001978771922 . 2 . . . . A 10 GLN HG2 . 34928 1 74 . 1 . 1 10 10 GLN HG3 H 1 2.407188018 0.001978771922 . 2 . . . . A 10 GLN HG3 . 34928 1 75 . 1 . 1 10 10 GLN HE21 H 1 6.848778191 0.0009025647461 . 2 . . . . A 10 GLN HE21 . 34928 1 76 . 1 . 1 10 10 GLN HE22 H 1 7.95458233 0.0008262429527 . 2 . . . . A 10 GLN HE22 . 34928 1 77 . 1 . 1 11 11 TRP H H 1 7.963471287 0.001636117966 . 1 . . . . A 11 TRP H . 34928 1 78 . 1 . 1 11 11 TRP HA H 1 4.22268079 0.0009215638897 . 1 . . . . A 11 TRP HA . 34928 1 79 . 1 . 1 11 11 TRP HB2 H 1 3.159094684 0.002424471516 . 2 . . . . A 11 TRP HB2 . 34928 1 80 . 1 . 1 11 11 TRP HB3 H 1 3.568987192 0.005808778532 . 2 . . . . A 11 TRP HB3 . 34928 1 81 . 1 . 1 11 11 TRP HD1 H 1 7.022357219 0.001124304145 . 1 . . . . A 11 TRP HD1 . 34928 1 82 . 1 . 1 11 11 TRP HE1 H 1 9.653361877 0.000915317679 . 1 . . . . A 11 TRP HE1 . 34928 1 83 . 1 . 1 11 11 TRP HE3 H 1 7.109444576 0.001840175626 . 1 . . . . A 11 TRP HE3 . 34928 1 84 . 1 . 1 11 11 TRP HZ2 H 1 7.220567547 0.0009647906853 . 1 . . . . A 11 TRP HZ2 . 34928 1 85 . 1 . 1 11 11 TRP HZ3 H 1 7.104418239 0.006193922512 . 1 . . . . A 11 TRP HZ3 . 34928 1 86 . 1 . 1 11 11 TRP HH2 H 1 7.20220118 0.002773117496 . 1 . . . . A 11 TRP HH2 . 34928 1 87 . 1 . 1 12 12 LEU H H 1 8.426496619 0.0004822888166 . 1 . . . . A 12 LEU H . 34928 1 88 . 1 . 1 12 12 LEU HA H 1 3.400803427 0.0020237532 . 1 . . . . A 12 LEU HA . 34928 1 89 . 1 . 1 12 12 LEU HB2 H 1 1.363339522 0.001415121987 . 2 . . . . A 12 LEU HB2 . 34928 1 90 . 1 . 1 12 12 LEU HB3 H 1 1.926747182 0.001254707754 . 2 . . . . A 12 LEU HB3 . 34928 1 91 . 1 . 1 12 12 LEU HG H 1 1.614779161 0.002687780915 . 1 . . . . A 12 LEU HG . 34928 1 92 . 1 . 1 12 12 LEU HD11 H 1 0.8185012386 0.002116439903 . 2 . . . . A 12 LEU HD11 . 34928 1 93 . 1 . 1 12 12 LEU HD12 H 1 0.8185012386 0.002116439903 . 2 . . . . A 12 LEU HD12 . 34928 1 94 . 1 . 1 12 12 LEU HD13 H 1 0.8185012386 0.002116439903 . 2 . . . . A 12 LEU HD13 . 34928 1 95 . 1 . 1 12 12 LEU HD21 H 1 0.9170503633 0.004506978752 . 2 . . . . A 12 LEU HD21 . 34928 1 96 . 1 . 1 12 12 LEU HD22 H 1 0.9170503633 0.004506978752 . 2 . . . . A 12 LEU HD22 . 34928 1 97 . 1 . 1 12 12 LEU HD23 H 1 0.9170503633 0.004506978752 . 2 . . . . A 12 LEU HD23 . 34928 1 98 . 1 . 1 13 13 LYS H H 1 8.322098594 0.001141669943 . 1 . . . . A 13 LYS H . 34928 1 99 . 1 . 1 13 13 LYS HA H 1 3.974588398 0.001075262461 . 1 . . . . A 13 LYS HA . 34928 1 100 . 1 . 1 13 13 LYS HB2 H 1 1.959334722 0.004174731253 . 2 . . . . A 13 LYS HB2 . 34928 1 101 . 1 . 1 13 13 LYS HB3 H 1 1.959857511 0.004237054549 . 2 . . . . A 13 LYS HB3 . 34928 1 102 . 1 . 1 13 13 LYS HG2 H 1 1.428407791 0.006671463259 . 2 . . . . A 13 LYS HG2 . 34928 1 103 . 1 . 1 13 13 LYS HG3 H 1 1.583546788 0.001088810776 . 2 . . . . A 13 LYS HG3 . 34928 1 104 . 1 . 1 13 13 LYS HD2 H 1 1.658213058 0.003559224914 . 2 . . . . A 13 LYS HD2 . 34928 1 105 . 1 . 1 13 13 LYS HD3 H 1 1.660664804 0.004532227331 . 2 . . . . A 13 LYS HD3 . 34928 1 106 . 1 . 1 13 13 LYS HE2 H 1 2.946131939 0.001681077973 . 2 . . . . A 13 LYS HE2 . 34928 1 107 . 1 . 1 13 13 LYS HE3 H 1 2.946131939 0.001681077972 . 2 . . . . A 13 LYS HE3 . 34928 1 108 . 1 . 1 14 14 GLU H H 1 7.675825262 0.001358446905 . 1 . . . . A 14 GLU H . 34928 1 109 . 1 . 1 14 14 GLU HA H 1 4.175443457 0.0008148017772 . 1 . . . . A 14 GLU HA . 34928 1 110 . 1 . 1 14 14 GLU HB2 H 1 1.97230786 0.00277651817 . 2 . . . . A 14 GLU HB2 . 34928 1 111 . 1 . 1 14 14 GLU HB3 H 1 2.208107056 0.001872749903 . 2 . . . . A 14 GLU HB3 . 34928 1 112 . 1 . 1 14 14 GLU HG2 H 1 2.266285607 0.007419724896 . 2 . . . . A 14 GLU HG2 . 34928 1 113 . 1 . 1 14 14 GLU HG3 H 1 2.514824588 0.002076902918 . 2 . . . . A 14 GLU HG3 . 34928 1 114 . 1 . 1 15 15 GLY H H 1 7.560717876 0.001434918245 . 1 . . . . A 15 GLY H . 34928 1 115 . 1 . 1 15 15 GLY HA2 H 1 3.50554335 0.0009965586529 . 2 . . . . A 15 GLY HA2 . 34928 1 116 . 1 . 1 15 15 GLY HA3 H 1 4.144821239 0.00122397296 . 2 . . . . A 15 GLY HA3 . 34928 1 117 . 1 . 1 16 16 GLY H H 1 8.217660925 0.0005390450045 . 1 . . . . A 16 GLY H . 34928 1 118 . 1 . 1 16 16 GLY HA2 H 1 1.216779187 0.003025351628 . 2 . . . . A 16 GLY HA2 . 34928 1 119 . 1 . 1 16 16 GLY HA3 H 1 3.086227456 0.001154229801 . 2 . . . . A 16 GLY HA3 . 34928 1 120 . 1 . 1 17 17 PRO HA H 1 4.569088724 0.001805547789 . 1 . . . . A 17 PRO HA . 34928 1 121 . 1 . 1 17 17 PRO HB2 H 1 2.042141976 0.002501126521 . 2 . . . . A 17 PRO HB2 . 34928 1 122 . 1 . 1 17 17 PRO HB3 H 1 2.489574504 0.001309494199 . 2 . . . . A 17 PRO HB3 . 34928 1 123 . 1 . 1 17 17 PRO HG2 H 1 2.119316832 0.002317924654 . 2 . . . . A 17 PRO HG2 . 34928 1 124 . 1 . 1 17 17 PRO HG3 H 1 2.119316832 0.002317924654 . 2 . . . . A 17 PRO HG3 . 34928 1 125 . 1 . 1 17 17 PRO HD2 H 1 3.328427887 0.001867214364 . 2 . . . . A 17 PRO HD2 . 34928 1 126 . 1 . 1 17 17 PRO HD3 H 1 3.751278213 0.001864556113 . 2 . . . . A 17 PRO HD3 . 34928 1 127 . 1 . 1 18 18 SER H H 1 7.783181701 0 . 1 . . . . A 18 SER H . 34928 1 128 . 1 . 1 18 18 SER HA H 1 4.449965175 0 . 1 . . . . A 18 SER HA . 34928 1 129 . 1 . 1 18 18 SER HB2 H 1 3.920358855 0.001088623136 . 2 . . . . A 18 SER HB2 . 34928 1 130 . 1 . 1 18 18 SER HB3 H 1 3.920358855 0.001088623136 . 2 . . . . A 18 SER HB3 . 34928 1 131 . 1 . 1 19 19 SER H H 1 8.144287898 0.002400153382 . 1 . . . . A 19 SER H . 34928 1 132 . 1 . 1 19 19 SER HA H 1 4.233687368 0.001106436105 . 1 . . . . A 19 SER HA . 34928 1 133 . 1 . 1 19 19 SER HB2 H 1 3.597385112 0.002597548144 . 2 . . . . A 19 SER HB2 . 34928 1 134 . 1 . 1 19 19 SER HB3 H 1 3.919709539 0.001614694967 . 2 . . . . A 19 SER HB3 . 34928 1 135 . 1 . 1 20 20 GLY H H 1 7.959911152 0.003483126392 . 1 . . . . A 20 GLY H . 34928 1 136 . 1 . 1 20 20 GLY HA2 H 1 3.832345092 0.001368358201 . 2 . . . . A 20 GLY HA2 . 34928 1 137 . 1 . 1 20 20 GLY HA3 H 1 4.22689456 0.0026958506 . 2 . . . . A 20 GLY HA3 . 34928 1 138 . 1 . 1 21 21 ARG H H 1 8.058868435 0.001491213418 . 1 . . . . A 21 ARG H . 34928 1 139 . 1 . 1 21 21 ARG HA H 1 4.926306198 0.002127263574 . 1 . . . . A 21 ARG HA . 34928 1 140 . 1 . 1 21 21 ARG HB2 H 1 1.836772509 0.003979219172 . 2 . . . . A 21 ARG HB2 . 34928 1 141 . 1 . 1 21 21 ARG HB3 H 1 1.866511229 0.01194231853 . 2 . . . . A 21 ARG HB3 . 34928 1 142 . 1 . 1 21 21 ARG HG2 H 1 1.660339108 0.002818807699 . 2 . . . . A 21 ARG HG2 . 34928 1 143 . 1 . 1 21 21 ARG HG3 H 1 1.751428956 0.001805011141 . 2 . . . . A 21 ARG HG3 . 34928 1 144 . 1 . 1 21 21 ARG HD2 H 1 3.259424378 0.0004517059541 . 2 . . . . A 21 ARG HD2 . 34928 1 145 . 1 . 1 21 21 ARG HD3 H 1 3.259424378 0.0004517059521 . 2 . . . . A 21 ARG HD3 . 34928 1 146 . 1 . 1 22 22 PRO HA H 1 4.725963517 0.001338546586 . 1 . . . . A 22 PRO HA . 34928 1 147 . 1 . 1 22 22 PRO HB2 H 1 1.804254753 0.004627209968 . 2 . . . . A 22 PRO HB2 . 34928 1 148 . 1 . 1 22 22 PRO HB3 H 1 2.314233024 0.002665432464 . 2 . . . . A 22 PRO HB3 . 34928 1 149 . 1 . 1 22 22 PRO HG2 H 1 1.997334041 0.002308335999 . 2 . . . . A 22 PRO HG2 . 34928 1 150 . 1 . 1 22 22 PRO HG3 H 1 1.997334041 0.002308335998 . 2 . . . . A 22 PRO HG3 . 34928 1 151 . 1 . 1 22 22 PRO HD2 H 1 3.652317149 0.003160731487 . 2 . . . . A 22 PRO HD2 . 34928 1 152 . 1 . 1 22 22 PRO HD3 H 1 3.854686705 0.001534884693 . 2 . . . . A 22 PRO HD3 . 34928 1 153 . 1 . 1 23 23 PRO HA H 1 2.741763204 0.002134238432 . 1 . . . . A 23 PRO HA . 34928 1 154 . 1 . 1 23 23 PRO HB2 H 1 0.6260253133 0.004498466682 . 2 . . . . A 23 PRO HB2 . 34928 1 155 . 1 . 1 23 23 PRO HB3 H 1 1.419467743 0.003481232204 . 2 . . . . A 23 PRO HB3 . 34928 1 156 . 1 . 1 23 23 PRO HG2 H 1 1.663248421 0.00237267455 . 2 . . . . A 23 PRO HG2 . 34928 1 157 . 1 . 1 23 23 PRO HG3 H 1 1.755526954 0.001021124747 . 2 . . . . A 23 PRO HG3 . 34928 1 158 . 1 . 1 23 23 PRO HD2 H 1 3.511498244 0.006072550689 . 2 . . . . A 23 PRO HD2 . 34928 1 159 . 1 . 1 23 23 PRO HD3 H 1 3.511718787 0.006362924006 . 2 . . . . A 23 PRO HD3 . 34928 1 160 . 1 . 1 24 24 PRO HA H 1 4.300895135 0.001806868807 . 1 . . . . A 24 PRO HA . 34928 1 161 . 1 . 1 24 24 PRO HB2 H 1 1.986618904 0.003752985606 . 2 . . . . A 24 PRO HB2 . 34928 1 162 . 1 . 1 24 24 PRO HB3 H 1 2.210253553 0.00311756785 . 2 . . . . A 24 PRO HB3 . 34928 1 163 . 1 . 1 24 24 PRO HG2 H 1 1.822375229 0.002127923193 . 2 . . . . A 24 PRO HG2 . 34928 1 164 . 1 . 1 24 24 PRO HG3 H 1 1.919133022 0.002771676907 . 2 . . . . A 24 PRO HG3 . 34928 1 165 . 1 . 1 24 24 PRO HD2 H 1 2.995894914 0.001136597376 . 2 . . . . A 24 PRO HD2 . 34928 1 166 . 1 . 1 24 24 PRO HD3 H 1 3.112703776 0.002195808614 . 2 . . . . A 24 PRO HD3 . 34928 1 167 . 1 . 1 25 25 SER H H 1 7.687905824 0.002771812992 . 1 . . . . A 25 SER H . 34928 1 168 . 1 . 1 25 25 SER HA H 1 4.159116428 0.003855052981 . 1 . . . . A 25 SER HA . 34928 1 169 . 1 . 1 25 25 SER HB2 H 1 3.780480233 0.0007471342104 . 2 . . . . A 25 SER HB2 . 34928 1 170 . 1 . 1 25 25 SER HB3 H 1 3.780480233 0.0007471342104 . 2 . . . . A 25 SER HB3 . 34928 1 stop_ save_