data_34936 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34936 _Entry.Title ; Trp-cage fortified Tc5b-Exenatide chimera (Ex-4-Tc5bDR) at 321K ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-07-11 _Entry.Accession_date 2024-07-11 _Entry.Last_release_date 2024-07-25 _Entry.Original_release_date 2024-07-25 _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. . . . 34936 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 34936 Exenatide . 34936 'GLP-1R ligand' . 34936 'Trp-Cage DE NOVO PROTEIN' . 34936 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34936 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 162 34936 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 2024-07-11 update BMRB 'update entry citation' 34936 1 . . 2024-09-16 2024-07-11 original author 'original release' 34936 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9G32 'BMRB Entry Tracking System' 34936 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34936 _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. . . . 34936 1 2 Pal Straner P. . . . 34936 1 3 Nora Taricska N. . . . 34936 1 4 Zsolt Fazekas Z. . . . 34936 1 5 Dora Menyhard D. K. . . 34936 1 6 Andras Perczel A. . . . 34936 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34936 _Assembly.ID 1 _Assembly.Name Exendin-4 _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 . . . . . . 34936 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34936 _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 ; EEEAVRLYIQWLKDGGPSSG 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 2772.053 _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 . 34936 1 2 . GLU . 34936 1 3 . GLU . 34936 1 4 . ALA . 34936 1 5 . VAL . 34936 1 6 . ARG . 34936 1 7 . LEU . 34936 1 8 . TYR . 34936 1 9 . ILE . 34936 1 10 . GLN . 34936 1 11 . TRP . 34936 1 12 . LEU . 34936 1 13 . LYS . 34936 1 14 . ASP . 34936 1 15 . GLY . 34936 1 16 . GLY . 34936 1 17 . PRO . 34936 1 18 . SER . 34936 1 19 . SER . 34936 1 20 . GLY . 34936 1 21 . ARG . 34936 1 22 . PRO . 34936 1 23 . PRO . 34936 1 24 . PRO . 34936 1 25 . SER . 34936 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 34936 1 . GLU 2 2 34936 1 . GLU 3 3 34936 1 . ALA 4 4 34936 1 . VAL 5 5 34936 1 . ARG 6 6 34936 1 . LEU 7 7 34936 1 . TYR 8 8 34936 1 . ILE 9 9 34936 1 . GLN 10 10 34936 1 . TRP 11 11 34936 1 . LEU 12 12 34936 1 . LYS 13 13 34936 1 . ASP 14 14 34936 1 . GLY 15 15 34936 1 . GLY 16 16 34936 1 . PRO 17 17 34936 1 . SER 18 18 34936 1 . SER 19 19 34936 1 . GLY 20 20 34936 1 . ARG 21 21 34936 1 . PRO 22 22 34936 1 . PRO 23 23 34936 1 . PRO 24 24 34936 1 . SER 25 25 34936 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 34936 _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 . . . . . . . . . . . . . 34936 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 34936 _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 . . . . . . . . . . 34936 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34936 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.85 mM non-labeld polypeptide, 1 mM non-labeld sodium azide, 1 % non-labeld 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 . . 0.85 . . mM . . . . 34936 1 2 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 34936 1 3 DSS 'natural abundance' . . . . . . 1 . . % . . . . 34936 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 34936 _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 7.1 . pH 34936 1 pressure 1 . atm 34936 1 temperature 321 . K 34936 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34936 _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 . . 34936 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34936 1 'peak picking' . 34936 1 refinement . 34936 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34936 _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.' . . 34936 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34936 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 34936 _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 34936 _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 . . . 34936 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 34936 _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 . . . . . . . . . . . . . . . . . 34936 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34936 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34936 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 34936 _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 . . . . . 34936 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 34936 _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' . . . 34936 1 2 '2D 1H-1H TOCSY' . . . 34936 1 3 '2D 1H-1H NOESY' . . . 34936 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 3.969567665 0.0001857719919 . 1 . . . . A 1 GLU HA . 34936 1 2 . 1 . 1 1 1 GLU HB2 H 1 2.153912105 0 . 2 . . . . A 1 GLU HB2 . 34936 1 3 . 1 . 1 1 1 GLU HB3 H 1 2.153912105 0 . 2 . . . . A 1 GLU HB3 . 34936 1 4 . 1 . 1 1 1 GLU HG2 H 1 2.368478866 0.00357068646 . 2 . . . . A 1 GLU HG2 . 34936 1 5 . 1 . 1 1 1 GLU HG3 H 1 2.368478866 0.00357068646 . 2 . . . . A 1 GLU HG3 . 34936 1 6 . 1 . 1 2 2 GLU HA H 1 4.342564727 0.001271554315 . 1 . . . . A 2 GLU HA . 34936 1 7 . 1 . 1 2 2 GLU HB2 H 1 2.108759227 0.0004852760437 . 2 . . . . A 2 GLU HB2 . 34936 1 8 . 1 . 1 2 2 GLU HB3 H 1 2.164872525 0.0004503289271 . 2 . . . . A 2 GLU HB3 . 34936 1 9 . 1 . 1 2 2 GLU HG2 H 1 2.306698533 0.0005869371765 . 2 . . . . A 2 GLU HG2 . 34936 1 10 . 1 . 1 2 2 GLU HG3 H 1 2.335042445 0.0002064046067 . 2 . . . . A 2 GLU HG3 . 34936 1 11 . 1 . 1 3 3 GLU HA H 1 4.149590316 0.003908093199 . 1 . . . . A 3 GLU HA . 34936 1 12 . 1 . 1 3 3 GLU HB2 H 1 2.050479591 0.002204119748 . 2 . . . . A 3 GLU HB2 . 34936 1 13 . 1 . 1 3 3 GLU HB3 H 1 2.050479591 0.002204119748 . 2 . . . . A 3 GLU HB3 . 34936 1 14 . 1 . 1 3 3 GLU HG2 H 1 2.309706407 0.003502138067 . 2 . . . . A 3 GLU HG2 . 34936 1 15 . 1 . 1 3 3 GLU HG3 H 1 2.309950814 0.00343510944 . 2 . . . . A 3 GLU HG3 . 34936 1 16 . 1 . 1 4 4 ALA H H 1 8.38144413 0.002438011865 . 1 . . . . A 4 ALA H . 34936 1 17 . 1 . 1 4 4 ALA HA H 1 4.143952272 0.002298477477 . 1 . . . . A 4 ALA HA . 34936 1 18 . 1 . 1 4 4 ALA HB1 H 1 1.437409184 0.003360718639 . 1 . . . . A 4 ALA HB1 . 34936 1 19 . 1 . 1 4 4 ALA HB2 H 1 1.437409184 0.003360718639 . 1 . . . . A 4 ALA HB2 . 34936 1 20 . 1 . 1 4 4 ALA HB3 H 1 1.437409184 0.003360718639 . 1 . . . . A 4 ALA HB3 . 34936 1 21 . 1 . 1 5 5 VAL H H 1 7.541795846 0.001459534554 . 1 . . . . A 5 VAL H . 34936 1 22 . 1 . 1 5 5 VAL HA H 1 3.92669225 0.004549778656 . 1 . . . . A 5 VAL HA . 34936 1 23 . 1 . 1 5 5 VAL HB H 1 2.179150446 0.002824513892 . 1 . . . . A 5 VAL HB . 34936 1 24 . 1 . 1 5 5 VAL HG11 H 1 1.002614916 0.002226049314 . 2 . . . . A 5 VAL HG11 . 34936 1 25 . 1 . 1 5 5 VAL HG12 H 1 1.002614916 0.002226049314 . 2 . . . . A 5 VAL HG12 . 34936 1 26 . 1 . 1 5 5 VAL HG13 H 1 1.002614916 0.002226049314 . 2 . . . . A 5 VAL HG13 . 34936 1 27 . 1 . 1 5 5 VAL HG21 H 1 1.02511173 0.00287645145 . 2 . . . . A 5 VAL HG21 . 34936 1 28 . 1 . 1 5 5 VAL HG22 H 1 1.02511173 0.00287645145 . 2 . . . . A 5 VAL HG22 . 34936 1 29 . 1 . 1 5 5 VAL HG23 H 1 1.02511173 0.00287645145 . 2 . . . . A 5 VAL HG23 . 34936 1 30 . 1 . 1 6 6 ARG HA H 1 4.107704495 0.0009474367773 . 1 . . . . A 6 ARG HA . 34936 1 31 . 1 . 1 6 6 ARG HB2 H 1 1.90551118 0.003593776781 . 2 . . . . A 6 ARG HB2 . 34936 1 32 . 1 . 1 6 6 ARG HB3 H 1 1.90551118 0.003593776781 . 2 . . . . A 6 ARG HB3 . 34936 1 33 . 1 . 1 6 6 ARG HG2 H 1 1.606618435 0.00239000546 . 2 . . . . A 6 ARG HG2 . 34936 1 34 . 1 . 1 6 6 ARG HG3 H 1 1.71408837 0.00162127041 . 2 . . . . A 6 ARG HG3 . 34936 1 35 . 1 . 1 6 6 ARG HD2 H 1 3.226181932 0.003891557852 . 2 . . . . A 6 ARG HD2 . 34936 1 36 . 1 . 1 6 6 ARG HD3 H 1 3.226247148 0.004096874695 . 2 . . . . A 6 ARG HD3 . 34936 1 37 . 1 . 1 7 7 LEU H H 1 8.211522603 0.002316186296 . 1 . . . . A 7 LEU H . 34936 1 38 . 1 . 1 7 7 LEU HA H 1 4.156310071 0.002268467869 . 1 . . . . A 7 LEU HA . 34936 1 39 . 1 . 1 7 7 LEU HB2 H 1 1.416139258 0.002439945357 . 2 . . . . A 7 LEU HB2 . 34936 1 40 . 1 . 1 7 7 LEU HB3 H 1 1.810501957 0.002075908957 . 2 . . . . A 7 LEU HB3 . 34936 1 41 . 1 . 1 7 7 LEU HG H 1 1.731358785 0.003746011531 . 1 . . . . A 7 LEU HG . 34936 1 42 . 1 . 1 7 7 LEU HD11 H 1 0.8775732573 0.003546991119 . 2 . . . . A 7 LEU HD11 . 34936 1 43 . 1 . 1 7 7 LEU HD12 H 1 0.8775732573 0.003546991119 . 2 . . . . A 7 LEU HD12 . 34936 1 44 . 1 . 1 7 7 LEU HD13 H 1 0.8775732573 0.003546991119 . 2 . . . . A 7 LEU HD13 . 34936 1 45 . 1 . 1 7 7 LEU HD21 H 1 0.9140977991 0.001887641364 . 2 . . . . A 7 LEU HD21 . 34936 1 46 . 1 . 1 7 7 LEU HD22 H 1 0.9140977991 0.001887641364 . 2 . . . . A 7 LEU HD22 . 34936 1 47 . 1 . 1 7 7 LEU HD23 H 1 0.9140977991 0.001887641364 . 2 . . . . A 7 LEU HD23 . 34936 1 48 . 1 . 1 8 8 TYR H H 1 7.584420732 0.0020786135 . 1 . . . . A 8 TYR H . 34936 1 49 . 1 . 1 8 8 TYR HA H 1 4.238872857 0.001658023739 . 1 . . . . A 8 TYR HA . 34936 1 50 . 1 . 1 8 8 TYR HB2 H 1 3.128475322 0.003163561291 . 2 . . . . A 8 TYR HB2 . 34936 1 51 . 1 . 1 8 8 TYR HB3 H 1 3.19688466 0.00137717726 . 2 . . . . A 8 TYR HB3 . 34936 1 52 . 1 . 1 8 8 TYR HD1 H 1 7.023640156 0.0006818197227 . 3 . . . . A 8 TYR HD1 . 34936 1 53 . 1 . 1 8 8 TYR HD2 H 1 7.023640156 0.0006818197227 . 3 . . . . A 8 TYR HD2 . 34936 1 54 . 1 . 1 8 8 TYR HE1 H 1 6.811254594 0.001137644374 . 3 . . . . A 8 TYR HE1 . 34936 1 55 . 1 . 1 8 8 TYR HE2 H 1 6.811254594 0.001137644374 . 3 . . . . A 8 TYR HE2 . 34936 1 56 . 1 . 1 9 9 ILE H H 1 8.22544626 0.001546643866 . 1 . . . . A 9 ILE H . 34936 1 57 . 1 . 1 9 9 ILE HA H 1 3.77472688 0.002729093144 . 1 . . . . A 9 ILE HA . 34936 1 58 . 1 . 1 9 9 ILE HB H 1 1.983546996 0.002859619201 . 1 . . . . A 9 ILE HB . 34936 1 59 . 1 . 1 9 9 ILE HG12 H 1 1.343132954 0.003760148407 . 2 . . . . A 9 ILE HG12 . 34936 1 60 . 1 . 1 9 9 ILE HG13 H 1 1.83721151 0.003484830581 . 2 . . . . A 9 ILE HG13 . 34936 1 61 . 1 . 1 9 9 ILE HG21 H 1 0.9143384992 0.002243192007 . 1 . . . . A 9 ILE HG21 . 34936 1 62 . 1 . 1 9 9 ILE HG22 H 1 0.9143384992 0.002243192007 . 1 . . . . A 9 ILE HG22 . 34936 1 63 . 1 . 1 9 9 ILE HG23 H 1 0.9143384992 0.002243192007 . 1 . . . . A 9 ILE HG23 . 34936 1 64 . 1 . 1 9 9 ILE HD11 H 1 0.895618025 0.000895624651 . 1 . . . . A 9 ILE HD11 . 34936 1 65 . 1 . 1 9 9 ILE HD12 H 1 0.895618025 0.000895624651 . 1 . . . . A 9 ILE HD12 . 34936 1 66 . 1 . 1 9 9 ILE HD13 H 1 0.895618025 0.000895624651 . 1 . . . . A 9 ILE HD13 . 34936 1 67 . 1 . 1 10 10 GLN HA H 1 4.000286268 0.001077700921 . 1 . . . . A 10 GLN HA . 34936 1 68 . 1 . 1 10 10 GLN HB2 H 1 2.044912646 0.0009708938783 . 2 . . . . A 10 GLN HB2 . 34936 1 69 . 1 . 1 10 10 GLN HB3 H 1 2.119595927 0.006890407608 . 2 . . . . A 10 GLN HB3 . 34936 1 70 . 1 . 1 10 10 GLN HG2 H 1 2.370620011 0.002863346212 . 2 . . . . A 10 GLN HG2 . 34936 1 71 . 1 . 1 10 10 GLN HG3 H 1 2.370620011 0.002863346212 . 2 . . . . A 10 GLN HG3 . 34936 1 72 . 1 . 1 10 10 GLN HE21 H 1 6.759810167 0.0001623712139 . 2 . . . . A 10 GLN HE21 . 34936 1 73 . 1 . 1 10 10 GLN HE22 H 1 7.582552014 0.00035341233 . 2 . . . . A 10 GLN HE22 . 34936 1 74 . 1 . 1 11 11 TRP H H 1 7.944263581 0.004105052379 . 1 . . . . A 11 TRP H . 34936 1 75 . 1 . 1 11 11 TRP HA H 1 4.352188628 0.001723833352 . 1 . . . . A 11 TRP HA . 34936 1 76 . 1 . 1 11 11 TRP HB2 H 1 3.202451374 0.003057988835 . 2 . . . . A 11 TRP HB2 . 34936 1 77 . 1 . 1 11 11 TRP HB3 H 1 3.529339501 0.002602462302 . 2 . . . . A 11 TRP HB3 . 34936 1 78 . 1 . 1 11 11 TRP HD1 H 1 7.066111276 0.0004330029787 . 1 . . . . A 11 TRP HD1 . 34936 1 79 . 1 . 1 11 11 TRP HE1 H 1 9.745513068 0.0009338209231 . 1 . . . . A 11 TRP HE1 . 34936 1 80 . 1 . 1 11 11 TRP HE3 H 1 7.237764912 0.0009465341115 . 1 . . . . A 11 TRP HE3 . 34936 1 81 . 1 . 1 11 11 TRP HZ2 H 1 7.27262107 0.0009308022972 . 1 . . . . A 11 TRP HZ2 . 34936 1 82 . 1 . 1 11 11 TRP HZ3 H 1 7.108446683 0.002072842749 . 1 . . . . A 11 TRP HZ3 . 34936 1 83 . 1 . 1 11 11 TRP HH2 H 1 7.203069852 0.001351450193 . 1 . . . . A 11 TRP HH2 . 34936 1 84 . 1 . 1 12 12 LEU H H 1 8.201500172 0.0008334409782 . 1 . . . . A 12 LEU H . 34936 1 85 . 1 . 1 12 12 LEU HA H 1 3.586161324 0.001455105046 . 1 . . . . A 12 LEU HA . 34936 1 86 . 1 . 1 12 12 LEU HB2 H 1 1.401195331 0.001920387367 . 2 . . . . A 12 LEU HB2 . 34936 1 87 . 1 . 1 12 12 LEU HB3 H 1 1.827813593 0.0003741946618 . 2 . . . . A 12 LEU HB3 . 34936 1 88 . 1 . 1 12 12 LEU HG H 1 1.584456326 0.003192926994 . 1 . . . . A 12 LEU HG . 34936 1 89 . 1 . 1 12 12 LEU HD11 H 1 0.8188501291 0.0009755566073 . 2 . . . . A 12 LEU HD11 . 34936 1 90 . 1 . 1 12 12 LEU HD12 H 1 0.8188501291 0.0009755566073 . 2 . . . . A 12 LEU HD12 . 34936 1 91 . 1 . 1 12 12 LEU HD13 H 1 0.8188501291 0.0009755566073 . 2 . . . . A 12 LEU HD13 . 34936 1 92 . 1 . 1 12 12 LEU HD21 H 1 0.8920869088 0.002214879994 . 2 . . . . A 12 LEU HD21 . 34936 1 93 . 1 . 1 12 12 LEU HD22 H 1 0.8920869088 0.002214879994 . 2 . . . . A 12 LEU HD22 . 34936 1 94 . 1 . 1 12 12 LEU HD23 H 1 0.8920869088 0.002214879994 . 2 . . . . A 12 LEU HD23 . 34936 1 95 . 1 . 1 13 13 LYS H H 1 8.220719624 0.002850416501 . 1 . . . . A 13 LYS H . 34936 1 96 . 1 . 1 13 13 LYS HA H 1 3.980184189 0.0009492665209 . 1 . . . . A 13 LYS HA . 34936 1 97 . 1 . 1 13 13 LYS HB2 H 1 1.877645937 0.00406987538 . 2 . . . . A 13 LYS HB2 . 34936 1 98 . 1 . 1 13 13 LYS HB3 H 1 1.877645937 0.00406987538 . 2 . . . . A 13 LYS HB3 . 34936 1 99 . 1 . 1 13 13 LYS HG2 H 1 1.426447808 0.005392539916 . 2 . . . . A 13 LYS HG2 . 34936 1 100 . 1 . 1 13 13 LYS HG3 H 1 1.542642584 0.0006802681901 . 2 . . . . A 13 LYS HG3 . 34936 1 101 . 1 . 1 13 13 LYS HD2 H 1 1.63614682 0.004600019115 . 2 . . . . A 13 LYS HD2 . 34936 1 102 . 1 . 1 13 13 LYS HD3 H 1 1.63614682 0.004600019115 . 2 . . . . A 13 LYS HD3 . 34936 1 103 . 1 . 1 13 13 LYS HE2 H 1 2.950734628 0.001044492764 . 2 . . . . A 13 LYS HE2 . 34936 1 104 . 1 . 1 13 13 LYS HE3 H 1 2.950734628 0.001044492762 . 2 . . . . A 13 LYS HE3 . 34936 1 105 . 1 . 1 14 14 ASP H H 1 7.892971915 0.01200528005 . 1 . . . . A 14 ASP H . 34936 1 106 . 1 . 1 14 14 ASP HA H 1 4.587005758 0.0009887914048 . 1 . . . . A 14 ASP HA . 34936 1 107 . 1 . 1 14 14 ASP HB2 H 1 2.68406524 0.0009938747731 . 2 . . . . A 14 ASP HB2 . 34936 1 108 . 1 . 1 14 14 ASP HB3 H 1 2.821210652 0.006039843254 . 2 . . . . A 14 ASP HB3 . 34936 1 109 . 1 . 1 15 15 GLY H H 1 7.639510415 0.003794277765 . 1 . . . . A 15 GLY H . 34936 1 110 . 1 . 1 15 15 GLY HA2 H 1 3.587187171 0.0006109390883 . 2 . . . . A 15 GLY HA2 . 34936 1 111 . 1 . 1 15 15 GLY HA3 H 1 4.087295201 0.0007652941238 . 2 . . . . A 15 GLY HA3 . 34936 1 112 . 1 . 1 16 16 GLY H H 1 8.24495445 0.00078173881 . 1 . . . . A 16 GLY H . 34936 1 113 . 1 . 1 16 16 GLY HA2 H 1 1.776193396 0.0007427662745 . 2 . . . . A 16 GLY HA2 . 34936 1 114 . 1 . 1 16 16 GLY HA3 H 1 3.282910104 0.005413808023 . 2 . . . . A 16 GLY HA3 . 34936 1 115 . 1 . 1 17 17 PRO HA H 1 4.537393725 0.0007616290232 . 1 . . . . A 17 PRO HA . 34936 1 116 . 1 . 1 17 17 PRO HB2 H 1 2.016930224 0.005024067656 . 2 . . . . A 17 PRO HB2 . 34936 1 117 . 1 . 1 17 17 PRO HB3 H 1 2.444487876 0.0008531005403 . 2 . . . . A 17 PRO HB3 . 34936 1 118 . 1 . 1 17 17 PRO HG2 H 1 2.094017386 0.003029773629 . 2 . . . . A 17 PRO HG2 . 34936 1 119 . 1 . 1 17 17 PRO HG3 H 1 2.094079878 0.003328013447 . 2 . . . . A 17 PRO HG3 . 34936 1 120 . 1 . 1 17 17 PRO HD2 H 1 3.375803984 0.00212757451 . 2 . . . . A 17 PRO HD2 . 34936 1 121 . 1 . 1 17 17 PRO HD3 H 1 3.721729741 0.002408047684 . 2 . . . . A 17 PRO HD3 . 34936 1 122 . 1 . 1 18 18 SER HA H 1 4.457544067 0 . 1 . . . . A 18 SER HA . 34936 1 123 . 1 . 1 18 18 SER HB2 H 1 3.906216787 0 . 2 . . . . A 18 SER HB2 . 34936 1 124 . 1 . 1 18 18 SER HB3 H 1 3.906216787 0 . 2 . . . . A 18 SER HB3 . 34936 1 125 . 1 . 1 19 19 SER HA H 1 4.246301863 0.0007567879387 . 1 . . . . A 19 SER HA . 34936 1 126 . 1 . 1 19 19 SER HB2 H 1 3.621595609 0.003624925899 . 2 . . . . A 19 SER HB2 . 34936 1 127 . 1 . 1 19 19 SER HB3 H 1 3.882171395 0.002776675011 . 2 . . . . A 19 SER HB3 . 34936 1 128 . 1 . 1 20 20 GLY HA2 H 1 3.827457382 0 . 2 . . . . A 20 GLY HA2 . 34936 1 129 . 1 . 1 20 20 GLY HA3 H 1 4.173299829 0 . 2 . . . . A 20 GLY HA3 . 34936 1 130 . 1 . 1 21 21 ARG H H 1 8.01466559 0.003968370985 . 1 . . . . A 21 ARG H . 34936 1 131 . 1 . 1 21 21 ARG HA H 1 4.888523823 0.001593003142 . 1 . . . . A 21 ARG HA . 34936 1 132 . 1 . 1 21 21 ARG HB2 H 1 1.834947381 0.001550903522 . 2 . . . . A 21 ARG HB2 . 34936 1 133 . 1 . 1 21 21 ARG HB3 H 1 1.835513625 0.000749503709 . 2 . . . . A 21 ARG HB3 . 34936 1 134 . 1 . 1 21 21 ARG HG2 H 1 1.6583733 0.002591396834 . 2 . . . . A 21 ARG HG2 . 34936 1 135 . 1 . 1 21 21 ARG HG3 H 1 1.734669579 0.001624984555 . 2 . . . . A 21 ARG HG3 . 34936 1 136 . 1 . 1 21 21 ARG HD2 H 1 3.232741046 0.001813279249 . 2 . . . . A 21 ARG HD2 . 34936 1 137 . 1 . 1 21 21 ARG HD3 H 1 3.273136727 0.001328574613 . 2 . . . . A 21 ARG HD3 . 34936 1 138 . 1 . 1 22 22 PRO HA H 1 4.717661638 0.001696246834 . 1 . . . . A 22 PRO HA . 34936 1 139 . 1 . 1 22 22 PRO HB2 H 1 1.826250565 0.001530159094 . 2 . . . . A 22 PRO HB2 . 34936 1 140 . 1 . 1 22 22 PRO HB3 H 1 2.312717784 0.001250864441 . 2 . . . . A 22 PRO HB3 . 34936 1 141 . 1 . 1 22 22 PRO HG2 H 1 1.994347515 0.002449223346 . 2 . . . . A 22 PRO HG2 . 34936 1 142 . 1 . 1 22 22 PRO HG3 H 1 1.994347515 0.002449223345 . 2 . . . . A 22 PRO HG3 . 34936 1 143 . 1 . 1 22 22 PRO HD2 H 1 3.633270182 0.0009887660569 . 2 . . . . A 22 PRO HD2 . 34936 1 144 . 1 . 1 22 22 PRO HD3 H 1 3.832347542 0.003198148333 . 2 . . . . A 22 PRO HD3 . 34936 1 145 . 1 . 1 23 23 PRO HA H 1 3.206746005 0.003631758546 . 1 . . . . A 23 PRO HA . 34936 1 146 . 1 . 1 23 23 PRO HB2 H 1 0.9976433369 0.003507432471 . 2 . . . . A 23 PRO HB2 . 34936 1 147 . 1 . 1 23 23 PRO HB3 H 1 1.520471347 0.002965472918 . 2 . . . . A 23 PRO HB3 . 34936 1 148 . 1 . 1 23 23 PRO HG2 H 1 1.723570168 0.003155626881 . 2 . . . . A 23 PRO HG2 . 34936 1 149 . 1 . 1 23 23 PRO HG3 H 1 1.828418574 0.0006064624643 . 2 . . . . A 23 PRO HG3 . 34936 1 150 . 1 . 1 23 23 PRO HD2 H 1 3.513301155 0.004138815729 . 2 . . . . A 23 PRO HD2 . 34936 1 151 . 1 . 1 23 23 PRO HD3 H 1 3.576512458 0.002042060404 . 2 . . . . A 23 PRO HD3 . 34936 1 152 . 1 . 1 24 24 PRO HA H 1 4.342292485 0.001798373678 . 1 . . . . A 24 PRO HA . 34936 1 153 . 1 . 1 24 24 PRO HB2 H 1 1.985778875 0.001924103543 . 2 . . . . A 24 PRO HB2 . 34936 1 154 . 1 . 1 24 24 PRO HB3 H 1 2.204620815 0.002008121694 . 2 . . . . A 24 PRO HB3 . 34936 1 155 . 1 . 1 24 24 PRO HG2 H 1 1.851078572 0.002551977525 . 2 . . . . A 24 PRO HG2 . 34936 1 156 . 1 . 1 24 24 PRO HG3 H 1 1.926459309 0.00157911542 . 2 . . . . A 24 PRO HG3 . 34936 1 157 . 1 . 1 24 24 PRO HD2 H 1 3.125701507 0.00299410708 . 2 . . . . A 24 PRO HD2 . 34936 1 158 . 1 . 1 24 24 PRO HD3 H 1 3.258189396 0.002211323479 . 2 . . . . A 24 PRO HD3 . 34936 1 159 . 1 . 1 25 25 SER H H 1 7.588905092 0.001512193947 . 1 . . . . A 25 SER H . 34936 1 160 . 1 . 1 25 25 SER HA H 1 4.170982219 0.002226913566 . 1 . . . . A 25 SER HA . 34936 1 161 . 1 . 1 25 25 SER HB2 H 1 3.777701961 0.002448299588 . 2 . . . . A 25 SER HB2 . 34936 1 162 . 1 . 1 25 25 SER HB3 H 1 3.777701961 0.002448299587 . 2 . . . . A 25 SER HB3 . 34936 1 stop_ save_