data_34952 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34952 _Entry.Title ; Trp-cage fortified Tc5b-Exenatide chimera (Ex-4-Tc5bQR) at 299K ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-08-07 _Entry.Accession_date 2024-08-07 _Entry.Last_release_date 2024-08-08 _Entry.Original_release_date 2024-08-08 _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. . . . 34952 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 34952 'Disulfide bond' . 34952 Exenatide . 34952 'GLP-1R ligand' . 34952 Miniprotein . 34952 'Trp-Cage DE NOVO PROTEIN' . 34952 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34952 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 162 34952 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 2024-08-07 update BMRB 'update entry citation' 34952 1 . . 2024-09-16 2024-08-07 original author 'original release' 34952 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9GEC 'BMRB Entry Tracking System' 34952 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34952 _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. . . . 34952 1 2 Pal Straner P. . . . 34952 1 3 Nora Taricska N. . . . 34952 1 4 Zsolt Fazekas Z. . . . 34952 1 5 Dora Menyhard D. K. . . 34952 1 6 Andras Perczel A. . . . 34952 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34952 _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 . . . . . . 34952 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34952 _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 ; EEEAVRLYIQWLKQGGPSSG 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 2785.094 _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 . 34952 1 2 . GLU . 34952 1 3 . GLU . 34952 1 4 . ALA . 34952 1 5 . VAL . 34952 1 6 . ARG . 34952 1 7 . LEU . 34952 1 8 . TYR . 34952 1 9 . ILE . 34952 1 10 . GLN . 34952 1 11 . TRP . 34952 1 12 . LEU . 34952 1 13 . LYS . 34952 1 14 . GLN . 34952 1 15 . GLY . 34952 1 16 . GLY . 34952 1 17 . PRO . 34952 1 18 . SER . 34952 1 19 . SER . 34952 1 20 . GLY . 34952 1 21 . ARG . 34952 1 22 . PRO . 34952 1 23 . PRO . 34952 1 24 . PRO . 34952 1 25 . SER . 34952 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 34952 1 . GLU 2 2 34952 1 . GLU 3 3 34952 1 . ALA 4 4 34952 1 . VAL 5 5 34952 1 . ARG 6 6 34952 1 . LEU 7 7 34952 1 . TYR 8 8 34952 1 . ILE 9 9 34952 1 . GLN 10 10 34952 1 . TRP 11 11 34952 1 . LEU 12 12 34952 1 . LYS 13 13 34952 1 . GLN 14 14 34952 1 . GLY 15 15 34952 1 . GLY 16 16 34952 1 . PRO 17 17 34952 1 . SER 18 18 34952 1 . SER 19 19 34952 1 . GLY 20 20 34952 1 . ARG 21 21 34952 1 . PRO 22 22 34952 1 . PRO 23 23 34952 1 . PRO 24 24 34952 1 . SER 25 25 34952 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 34952 _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 . . . . . . . . . . . . . 34952 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 34952 _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 . . . . . . . . . . 34952 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34952 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.65 mM non-labeled polypeptide, 1 % non-labeled sodium azide, 1 % non-labeled 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 . . 0.65 . . mM . . . . 34952 1 2 'sodium azide' 'natural abundance' . . . . . . 1 . . % . . . . 34952 1 3 DSS 'natural abundance' . . . . . . 1 . . % . . . . 34952 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 34952 _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 7.14 . pH 34952 1 pressure 1 . atm 34952 1 temperature 299 . K 34952 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34952 _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 . . 34952 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34952 1 'peak picking' . 34952 1 refinement . 34952 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34952 _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. et al.' . . 34952 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34952 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 34952 _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 34952 _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 . . . 34952 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 34952 _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 . . . . . . . . . . . . . . . . . 34952 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34952 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34952 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 34952 _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 . . . . . 34952 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 34952 _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' . . . 34952 1 2 '2D 1H-1H TOCSY' . . . 34952 1 3 '2D 1H-1H NOESY' . . . 34952 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 2 2 GLU HA H 1 4.33782296 0 . 1 . . . . A 2 GLU HA . 34952 1 2 . 1 . 1 3 3 GLU H H 1 8.934672903 0.001634097048 . 1 . . . . A 3 GLU H . 34952 1 3 . 1 . 1 3 3 GLU HA H 1 4.154127536 0.0005364369386 . 1 . . . . A 3 GLU HA . 34952 1 4 . 1 . 1 3 3 GLU HB2 H 1 2.039852581 0.003633650433 . 2 . . . . A 3 GLU HB2 . 34952 1 5 . 1 . 1 3 3 GLU HB3 H 1 2.083674847 0.0005800148526 . 2 . . . . A 3 GLU HB3 . 34952 1 6 . 1 . 1 3 3 GLU HG2 H 1 2.32118217 0.004852617557 . 2 . . . . A 3 GLU HG2 . 34952 1 7 . 1 . 1 3 3 GLU HG3 H 1 2.32118217 0.004852617557 . 2 . . . . A 3 GLU HG3 . 34952 1 8 . 1 . 1 4 4 ALA H H 1 8.578909634 0.000709878037 . 1 . . . . A 4 ALA H . 34952 1 9 . 1 . 1 4 4 ALA HA H 1 4.109035142 0.0002287137636 . 1 . . . . A 4 ALA HA . 34952 1 10 . 1 . 1 4 4 ALA HB1 H 1 1.442370306 0.00257746909 . 1 . . . . A 4 ALA HB1 . 34952 1 11 . 1 . 1 4 4 ALA HB2 H 1 1.442370306 0.00257746909 . 1 . . . . A 4 ALA HB2 . 34952 1 12 . 1 . 1 4 4 ALA HB3 H 1 1.442370306 0.00257746909 . 1 . . . . A 4 ALA HB3 . 34952 1 13 . 1 . 1 5 5 VAL H H 1 7.493966269 0.001150944867 . 1 . . . . A 5 VAL H . 34952 1 14 . 1 . 1 5 5 VAL HA H 1 3.896007573 0.004849434028 . 1 . . . . A 5 VAL HA . 34952 1 15 . 1 . 1 5 5 VAL HB H 1 2.187879147 0.00360742054 . 1 . . . . A 5 VAL HB . 34952 1 16 . 1 . 1 5 5 VAL HG11 H 1 1.02725813 0.002299489825 . 2 . . . . A 5 VAL HG11 . 34952 1 17 . 1 . 1 5 5 VAL HG12 H 1 1.02725813 0.002299489825 . 2 . . . . A 5 VAL HG12 . 34952 1 18 . 1 . 1 5 5 VAL HG13 H 1 1.02725813 0.002299489825 . 2 . . . . A 5 VAL HG13 . 34952 1 19 . 1 . 1 5 5 VAL HG21 H 1 1.02725813 0.002299489825 . 2 . . . . A 5 VAL HG21 . 34952 1 20 . 1 . 1 5 5 VAL HG22 H 1 1.02725813 0.002299489825 . 2 . . . . A 5 VAL HG22 . 34952 1 21 . 1 . 1 5 5 VAL HG23 H 1 1.02725813 0.002299489825 . 2 . . . . A 5 VAL HG23 . 34952 1 22 . 1 . 1 6 6 ARG H H 1 7.952495078 0.001107941042 . 1 . . . . A 6 ARG H . 34952 1 23 . 1 . 1 6 6 ARG HA H 1 4.067759135 0.000636015171 . 1 . . . . A 6 ARG HA . 34952 1 24 . 1 . 1 6 6 ARG HB2 H 1 1.903768323 0.0006375744731 . 2 . . . . A 6 ARG HB2 . 34952 1 25 . 1 . 1 6 6 ARG HB3 H 1 1.952261049 0.003752386431 . 2 . . . . A 6 ARG HB3 . 34952 1 26 . 1 . 1 6 6 ARG HG2 H 1 1.555091684 0.001042140174 . 2 . . . . A 6 ARG HG2 . 34952 1 27 . 1 . 1 6 6 ARG HG3 H 1 1.72042321 0.001126574554 . 2 . . . . A 6 ARG HG3 . 34952 1 28 . 1 . 1 6 6 ARG HD2 H 1 3.203417395 0.0006252856474 . 2 . . . . A 6 ARG HD2 . 34952 1 29 . 1 . 1 6 6 ARG HD3 H 1 3.270473298 0.001183268818 . 2 . . . . A 6 ARG HD3 . 34952 1 30 . 1 . 1 7 7 LEU H H 1 8.423592505 0.0008766804581 . 1 . . . . A 7 LEU H . 34952 1 31 . 1 . 1 7 7 LEU HA H 1 4.126089802 0.001578493502 . 1 . . . . A 7 LEU HA . 34952 1 32 . 1 . 1 7 7 LEU HB2 H 1 1.437203499 0.0009041979744 . 2 . . . . A 7 LEU HB2 . 34952 1 33 . 1 . 1 7 7 LEU HB3 H 1 1.856408139 0.001488497409 . 2 . . . . A 7 LEU HB3 . 34952 1 34 . 1 . 1 7 7 LEU HG H 1 1.78550975 0.0007602730365 . 1 . . . . A 7 LEU HG . 34952 1 35 . 1 . 1 7 7 LEU HD11 H 1 0.872001488 0.003074057956 . 2 . . . . A 7 LEU HD11 . 34952 1 36 . 1 . 1 7 7 LEU HD12 H 1 0.872001488 0.003074057956 . 2 . . . . A 7 LEU HD12 . 34952 1 37 . 1 . 1 7 7 LEU HD13 H 1 0.872001488 0.003074057956 . 2 . . . . A 7 LEU HD13 . 34952 1 38 . 1 . 1 7 7 LEU HD21 H 1 0.9176954282 0.0005449140076 . 2 . . . . A 7 LEU HD21 . 34952 1 39 . 1 . 1 7 7 LEU HD22 H 1 0.9176954282 0.0005449140076 . 2 . . . . A 7 LEU HD22 . 34952 1 40 . 1 . 1 7 7 LEU HD23 H 1 0.9176954282 0.0005449140076 . 2 . . . . A 7 LEU HD23 . 34952 1 41 . 1 . 1 8 8 TYR H H 1 8.125332021 0.002183509197 . 1 . . . . A 8 TYR H . 34952 1 42 . 1 . 1 8 8 TYR HA H 1 4.208782935 0.0002957157931 . 1 . . . . A 8 TYR HA . 34952 1 43 . 1 . 1 8 8 TYR HB2 H 1 3.185128481 0.0003512883619 . 2 . . . . A 8 TYR HB2 . 34952 1 44 . 1 . 1 8 8 TYR HB3 H 1 3.246115885 0.003552223505 . 2 . . . . A 8 TYR HB3 . 34952 1 45 . 1 . 1 8 8 TYR HD1 H 1 7.05507792 0.002548467781 . 3 . . . . A 8 TYR HD1 . 34952 1 46 . 1 . 1 8 8 TYR HD2 H 1 7.05507792 0.002548467781 . 3 . . . . A 8 TYR HD2 . 34952 1 47 . 1 . 1 8 8 TYR HE1 H 1 6.837596047 0.001676671057 . 3 . . . . A 8 TYR HE1 . 34952 1 48 . 1 . 1 8 8 TYR HE2 H 1 6.837596047 0.001676671057 . 3 . . . . A 8 TYR HE2 . 34952 1 49 . 1 . 1 9 9 ILE H H 1 8.426437162 0.000256784862 . 1 . . . . A 9 ILE H . 34952 1 50 . 1 . 1 9 9 ILE HA H 1 3.742625915 0.001405543296 . 1 . . . . A 9 ILE HA . 34952 1 51 . 1 . 1 9 9 ILE HB H 1 2.037546724 0.001189753088 . 1 . . . . A 9 ILE HB . 34952 1 52 . 1 . 1 9 9 ILE HG12 H 1 1.391373956 0.0006847867078 . 2 . . . . A 9 ILE HG12 . 34952 1 53 . 1 . 1 9 9 ILE HG13 H 1 1.829248031 0.001128230985 . 2 . . . . A 9 ILE HG13 . 34952 1 54 . 1 . 1 9 9 ILE HG21 H 1 0.9462219673 0.001069086925 . 1 . . . . A 9 ILE HG21 . 34952 1 55 . 1 . 1 9 9 ILE HG22 H 1 0.9462219673 0.001069086925 . 1 . . . . A 9 ILE HG22 . 34952 1 56 . 1 . 1 9 9 ILE HG23 H 1 0.9462219673 0.001069086925 . 1 . . . . A 9 ILE HG23 . 34952 1 57 . 1 . 1 9 9 ILE HD11 H 1 0.9049637969 0.0004610872281 . 1 . . . . A 9 ILE HD11 . 34952 1 58 . 1 . 1 9 9 ILE HD12 H 1 0.9049637969 0.0004610872281 . 1 . . . . A 9 ILE HD12 . 34952 1 59 . 1 . 1 9 9 ILE HD13 H 1 0.9049637969 0.0004610872281 . 1 . . . . A 9 ILE HD13 . 34952 1 60 . 1 . 1 10 10 GLN H H 1 7.997772843 0.000625685381 . 1 . . . . A 10 GLN H . 34952 1 61 . 1 . 1 10 10 GLN HA H 1 4.040652048 0.001914077826 . 1 . . . . A 10 GLN HA . 34952 1 62 . 1 . 1 10 10 GLN HB2 H 1 2.162516597 0.001801998022 . 2 . . . . A 10 GLN HB2 . 34952 1 63 . 1 . 1 10 10 GLN HB3 H 1 2.163523471 0.002788363893 . 2 . . . . A 10 GLN HB3 . 34952 1 64 . 1 . 1 10 10 GLN HG2 H 1 2.36920446 0.003117184539 . 2 . . . . A 10 GLN HG2 . 34952 1 65 . 1 . 1 10 10 GLN HG3 H 1 2.425057075 0.00263410244 . 2 . . . . A 10 GLN HG3 . 34952 1 66 . 1 . 1 10 10 GLN HE21 H 1 6.914913214 0 . 2 . . . . A 10 GLN HE21 . 34952 1 67 . 1 . 1 10 10 GLN HE22 H 1 7.502207805 0.0002360555099 . 2 . . . . A 10 GLN HE22 . 34952 1 68 . 1 . 1 11 11 TRP H H 1 8.026796533 0.002135079842 . 1 . . . . A 11 TRP H . 34952 1 69 . 1 . 1 11 11 TRP HA H 1 4.3034429 0.0006113891256 . 1 . . . . A 11 TRP HA . 34952 1 70 . 1 . 1 11 11 TRP HB2 H 1 3.206998889 0.002072533505 . 2 . . . . A 11 TRP HB2 . 34952 1 71 . 1 . 1 11 11 TRP HB3 H 1 3.573682913 0.0029925833 . 2 . . . . A 11 TRP HB3 . 34952 1 72 . 1 . 1 11 11 TRP HD1 H 1 7.093751681 0.00865142856 . 1 . . . . A 11 TRP HD1 . 34952 1 73 . 1 . 1 11 11 TRP HE1 H 1 9.69982612 0.00115826272 . 1 . . . . A 11 TRP HE1 . 34952 1 74 . 1 . 1 11 11 TRP HE3 H 1 7.174307111 0.00222015843 . 1 . . . . A 11 TRP HE3 . 34952 1 75 . 1 . 1 11 11 TRP HZ2 H 1 7.268931628 0.001666438553 . 1 . . . . A 11 TRP HZ2 . 34952 1 76 . 1 . 1 11 11 TRP HH2 H 1 7.20756779 0.006009725984 . 1 . . . . A 11 TRP HH2 . 34952 1 77 . 1 . 1 12 12 LEU H H 1 8.473290453 0.001481224415 . 1 . . . . A 12 LEU H . 34952 1 78 . 1 . 1 12 12 LEU HA H 1 3.443518302 0.00182046051 . 1 . . . . A 12 LEU HA . 34952 1 79 . 1 . 1 12 12 LEU HB2 H 1 1.407098224 0.0005174065587 . 2 . . . . A 12 LEU HB2 . 34952 1 80 . 1 . 1 12 12 LEU HB3 H 1 1.868539391 0.002342018538 . 2 . . . . A 12 LEU HB3 . 34952 1 81 . 1 . 1 12 12 LEU HG H 1 1.577539757 0.00177003547 . 1 . . . . A 12 LEU HG . 34952 1 82 . 1 . 1 12 12 LEU HD11 H 1 0.8199885757 0.005015977807 . 2 . . . . A 12 LEU HD11 . 34952 1 83 . 1 . 1 12 12 LEU HD12 H 1 0.8199885757 0.005015977807 . 2 . . . . A 12 LEU HD12 . 34952 1 84 . 1 . 1 12 12 LEU HD13 H 1 0.8199885757 0.005015977807 . 2 . . . . A 12 LEU HD13 . 34952 1 85 . 1 . 1 12 12 LEU HD21 H 1 0.9065596773 0.0005075105325 . 2 . . . . A 12 LEU HD21 . 34952 1 86 . 1 . 1 12 12 LEU HD22 H 1 0.9065596773 0.0005075105325 . 2 . . . . A 12 LEU HD22 . 34952 1 87 . 1 . 1 12 12 LEU HD23 H 1 0.9065596773 0.0005075105325 . 2 . . . . A 12 LEU HD23 . 34952 1 88 . 1 . 1 13 13 LYS H H 1 8.311396788 0.001822446713 . 1 . . . . A 13 LYS H . 34952 1 89 . 1 . 1 13 13 LYS HA H 1 4.026037384 0.004380696401 . 1 . . . . A 13 LYS HA . 34952 1 90 . 1 . 1 13 13 LYS HB2 H 1 1.924124098 0.001703166891 . 2 . . . . A 13 LYS HB2 . 34952 1 91 . 1 . 1 13 13 LYS HB3 H 1 1.924124098 0.001703166891 . 2 . . . . A 13 LYS HB3 . 34952 1 92 . 1 . 1 13 13 LYS HG2 H 1 1.455313977 0.002584025177 . 2 . . . . A 13 LYS HG2 . 34952 1 93 . 1 . 1 13 13 LYS HG3 H 1 1.455313977 0.002584025177 . 2 . . . . A 13 LYS HG3 . 34952 1 94 . 1 . 1 13 13 LYS HD2 H 1 1.65866786 0.0006723764855 . 2 . . . . A 13 LYS HD2 . 34952 1 95 . 1 . 1 13 13 LYS HD3 H 1 1.65866786 0.0006723764838 . 2 . . . . A 13 LYS HD3 . 34952 1 96 . 1 . 1 13 13 LYS HE2 H 1 2.943993071 0.0005484565834 . 2 . . . . A 13 LYS HE2 . 34952 1 97 . 1 . 1 13 13 LYS HE3 H 1 2.943993071 0.0005484565834 . 2 . . . . A 13 LYS HE3 . 34952 1 98 . 1 . 1 14 14 GLN H H 1 7.640610733 0.001985328966 . 1 . . . . A 14 GLN H . 34952 1 99 . 1 . 1 14 14 GLN HA H 1 4.300711404 0.0005518373193 . 1 . . . . A 14 GLN HA . 34952 1 100 . 1 . 1 14 14 GLN HB2 H 1 2.122935455 0.0007228786144 . 2 . . . . A 14 GLN HB2 . 34952 1 101 . 1 . 1 14 14 GLN HB3 H 1 2.122935455 0.000722878615 . 2 . . . . A 14 GLN HB3 . 34952 1 102 . 1 . 1 14 14 GLN HG2 H 1 2.411714584 0.001348149584 . 2 . . . . A 14 GLN HG2 . 34952 1 103 . 1 . 1 14 14 GLN HG3 H 1 2.548155916 0.001417720764 . 2 . . . . A 14 GLN HG3 . 34952 1 104 . 1 . 1 14 14 GLN HE21 H 1 6.789069536 0 . 2 . . . . A 14 GLN HE21 . 34952 1 105 . 1 . 1 14 14 GLN HE22 H 1 7.396421177 0 . 2 . . . . A 14 GLN HE22 . 34952 1 106 . 1 . 1 15 15 GLY H H 1 7.632520083 0.001490379727 . 1 . . . . A 15 GLY H . 34952 1 107 . 1 . 1 15 15 GLY HA2 H 1 3.55483749 0.0005883478747 . 2 . . . . A 15 GLY HA2 . 34952 1 108 . 1 . 1 15 15 GLY HA3 H 1 4.131695753 0.0006318873512 . 2 . . . . A 15 GLY HA3 . 34952 1 109 . 1 . 1 16 16 GLY H H 1 8.050991211 0.000688772108 . 1 . . . . A 16 GLY H . 34952 1 110 . 1 . 1 16 16 GLY HA2 H 1 1.599600516 0.0002693090783 . 2 . . . . A 16 GLY HA2 . 34952 1 111 . 1 . 1 16 16 GLY HA3 H 1 3.169535088 0.0005342186236 . 2 . . . . A 16 GLY HA3 . 34952 1 112 . 1 . 1 17 17 PRO HA H 1 4.552376527 0.0009952766308 . 1 . . . . A 17 PRO HA . 34952 1 113 . 1 . 1 17 17 PRO HB2 H 1 2.042506266 0.001504254354 . 2 . . . . A 17 PRO HB2 . 34952 1 114 . 1 . 1 17 17 PRO HB3 H 1 2.465621691 0.001897338635 . 2 . . . . A 17 PRO HB3 . 34952 1 115 . 1 . 1 17 17 PRO HG2 H 1 2.113385161 0.007979343292 . 2 . . . . A 17 PRO HG2 . 34952 1 116 . 1 . 1 17 17 PRO HG3 H 1 2.113385161 0.007979343292 . 2 . . . . A 17 PRO HG3 . 34952 1 117 . 1 . 1 17 17 PRO HD2 H 1 3.325726986 0.00355078103 . 2 . . . . A 17 PRO HD2 . 34952 1 118 . 1 . 1 17 17 PRO HD3 H 1 3.72698615 0.001038446932 . 2 . . . . A 17 PRO HD3 . 34952 1 119 . 1 . 1 18 18 SER H H 1 7.910429442 0.002426968277 . 1 . . . . A 18 SER H . 34952 1 120 . 1 . 1 18 18 SER HA H 1 4.443698866 0 . 1 . . . . A 18 SER HA . 34952 1 121 . 1 . 1 18 18 SER HB2 H 1 3.919473718 0 . 2 . . . . A 18 SER HB2 . 34952 1 122 . 1 . 1 18 18 SER HB3 H 1 3.919473718 0 . 2 . . . . A 18 SER HB3 . 34952 1 123 . 1 . 1 19 19 SER H H 1 8.11117675 0.0006898794021 . 1 . . . . A 19 SER H . 34952 1 124 . 1 . 1 19 19 SER HA H 1 4.279131155 0.0005848548494 . 1 . . . . A 19 SER HA . 34952 1 125 . 1 . 1 19 19 SER HB2 H 1 3.663500095 0.00278702175 . 2 . . . . A 19 SER HB2 . 34952 1 126 . 1 . 1 19 19 SER HB3 H 1 3.923416026 0.0004923546101 . 2 . . . . A 19 SER HB3 . 34952 1 127 . 1 . 1 20 20 GLY H H 1 8.029542772 0.0002491370055 . 1 . . . . A 20 GLY H . 34952 1 128 . 1 . 1 20 20 GLY HA2 H 1 3.858158688 0 . 2 . . . . A 20 GLY HA2 . 34952 1 129 . 1 . 1 20 20 GLY HA3 H 1 4.181322648 0 . 2 . . . . A 20 GLY HA3 . 34952 1 130 . 1 . 1 21 21 ARG H H 1 7.994776681 0.001314721729 . 1 . . . . A 21 ARG H . 34952 1 131 . 1 . 1 21 21 ARG HA H 1 4.825448523 0.001118105957 . 1 . . . . A 21 ARG HA . 34952 1 132 . 1 . 1 21 21 ARG HB2 H 1 1.775828707 0.005235932065 . 2 . . . . A 21 ARG HB2 . 34952 1 133 . 1 . 1 21 21 ARG HB3 H 1 1.928697893 0.0006600910519 . 2 . . . . A 21 ARG HB3 . 34952 1 134 . 1 . 1 21 21 ARG HG2 H 1 1.673716483 0.0006936788354 . 2 . . . . A 21 ARG HG2 . 34952 1 135 . 1 . 1 21 21 ARG HG3 H 1 1.675152212 0.002937723286 . 2 . . . . A 21 ARG HG3 . 34952 1 136 . 1 . 1 21 21 ARG HD2 H 1 3.238835676 0.0007829074164 . 2 . . . . A 21 ARG HD2 . 34952 1 137 . 1 . 1 21 21 ARG HD3 H 1 3.238835676 0.0007829074164 . 2 . . . . A 21 ARG HD3 . 34952 1 138 . 1 . 1 22 22 PRO HA H 1 4.671516881 0.001367630473 . 1 . . . . A 22 PRO HA . 34952 1 139 . 1 . 1 22 22 PRO HB2 H 1 1.809250743 0.003158265354 . 2 . . . . A 22 PRO HB2 . 34952 1 140 . 1 . 1 22 22 PRO HB3 H 1 2.279385158 0.003359655485 . 2 . . . . A 22 PRO HB3 . 34952 1 141 . 1 . 1 22 22 PRO HG2 H 1 1.995416677 0.001587659045 . 2 . . . . A 22 PRO HG2 . 34952 1 142 . 1 . 1 22 22 PRO HG3 H 1 1.995416677 0.001587659045 . 2 . . . . A 22 PRO HG3 . 34952 1 143 . 1 . 1 22 22 PRO HD2 H 1 3.62915434 0.001130849952 . 2 . . . . A 22 PRO HD2 . 34952 1 144 . 1 . 1 22 22 PRO HD3 H 1 3.839114119 0.003883074022 . 2 . . . . A 22 PRO HD3 . 34952 1 145 . 1 . 1 23 23 PRO HA H 1 3.061107781 0.003831322517 . 1 . . . . A 23 PRO HA . 34952 1 146 . 1 . 1 23 23 PRO HB2 H 1 0.9082785796 0.001794890256 . 2 . . . . A 23 PRO HB2 . 34952 1 147 . 1 . 1 23 23 PRO HB3 H 1 1.508703503 0.008988768184 . 2 . . . . A 23 PRO HB3 . 34952 1 148 . 1 . 1 23 23 PRO HG2 H 1 1.695050451 0.00118328775 . 2 . . . . A 23 PRO HG2 . 34952 1 149 . 1 . 1 23 23 PRO HG3 H 1 1.792216272 0.001170618401 . 2 . . . . A 23 PRO HG3 . 34952 1 150 . 1 . 1 23 23 PRO HD2 H 1 3.516569555 0.01168388207 . 2 . . . . A 23 PRO HD2 . 34952 1 151 . 1 . 1 23 23 PRO HD3 H 1 3.516569555 0.01168388207 . 2 . . . . A 23 PRO HD3 . 34952 1 152 . 1 . 1 24 24 PRO HA H 1 4.310374421 0.001196483886 . 1 . . . . A 24 PRO HA . 34952 1 153 . 1 . 1 24 24 PRO HB2 H 1 1.980235605 0.003254729019 . 2 . . . . A 24 PRO HB2 . 34952 1 154 . 1 . 1 24 24 PRO HB3 H 1 2.226303302 0.001000118275 . 2 . . . . A 24 PRO HB3 . 34952 1 155 . 1 . 1 24 24 PRO HG2 H 1 1.852709508 0.0004291518514 . 2 . . . . A 24 PRO HG2 . 34952 1 156 . 1 . 1 24 24 PRO HG3 H 1 1.939018249 0.0005473431679 . 2 . . . . A 24 PRO HG3 . 34952 1 157 . 1 . 1 24 24 PRO HD2 H 1 3.115619 0.0005773259602 . 2 . . . . A 24 PRO HD2 . 34952 1 158 . 1 . 1 24 24 PRO HD3 H 1 3.215179237 0.0006200445318 . 2 . . . . A 24 PRO HD3 . 34952 1 159 . 1 . 1 25 25 SER H H 1 7.726383162 0.001308686039 . 1 . . . . A 25 SER H . 34952 1 160 . 1 . 1 25 25 SER HA H 1 4.154078364 0 . 1 . . . . A 25 SER HA . 34952 1 161 . 1 . 1 25 25 SER HB2 H 1 3.787207078 0 . 2 . . . . A 25 SER HB2 . 34952 1 162 . 1 . 1 25 25 SER HB3 H 1 3.787207078 0 . 2 . . . . A 25 SER HB3 . 34952 1 stop_ save_