data_34951 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34951 _Entry.Title ; Trp-cage fortified Tc5b-Exenatide chimera (Ex-4-Tc5bQR) at 288K ; _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. . . . 34951 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 34951 'Disulfide bond' . 34951 Exenatide . 34951 'GLP-1R ligand' . 34951 Miniprotein . 34951 'Trp-Cage DE NOVO PROTEIN' . 34951 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34951 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 168 34951 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' 34951 1 . . 2024-09-16 2024-08-07 original author 'original release' 34951 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9GEB 'BMRB Entry Tracking System' 34951 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34951 _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. . . . 34951 1 2 Pal Straner P. . . . 34951 1 3 Nora Taricska N. . . . 34951 1 4 Zsolt Fazekas Z. . . . 34951 1 5 Dora Menyhard D. K. . . 34951 1 6 Andras Perczel A. . . . 34951 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34951 _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 . . . . . . 34951 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34951 _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 . 34951 1 2 . GLU . 34951 1 3 . GLU . 34951 1 4 . ALA . 34951 1 5 . VAL . 34951 1 6 . ARG . 34951 1 7 . LEU . 34951 1 8 . TYR . 34951 1 9 . ILE . 34951 1 10 . GLN . 34951 1 11 . TRP . 34951 1 12 . LEU . 34951 1 13 . LYS . 34951 1 14 . GLN . 34951 1 15 . GLY . 34951 1 16 . GLY . 34951 1 17 . PRO . 34951 1 18 . SER . 34951 1 19 . SER . 34951 1 20 . GLY . 34951 1 21 . ARG . 34951 1 22 . PRO . 34951 1 23 . PRO . 34951 1 24 . PRO . 34951 1 25 . SER . 34951 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 34951 1 . GLU 2 2 34951 1 . GLU 3 3 34951 1 . ALA 4 4 34951 1 . VAL 5 5 34951 1 . ARG 6 6 34951 1 . LEU 7 7 34951 1 . TYR 8 8 34951 1 . ILE 9 9 34951 1 . GLN 10 10 34951 1 . TRP 11 11 34951 1 . LEU 12 12 34951 1 . LYS 13 13 34951 1 . GLN 14 14 34951 1 . GLY 15 15 34951 1 . GLY 16 16 34951 1 . PRO 17 17 34951 1 . SER 18 18 34951 1 . SER 19 19 34951 1 . GLY 20 20 34951 1 . ARG 21 21 34951 1 . PRO 22 22 34951 1 . PRO 23 23 34951 1 . PRO 24 24 34951 1 . SER 25 25 34951 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 34951 _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 . . . . . . . . . . . . . 34951 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 34951 _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 . . . . . . . . . . 34951 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34951 _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 . . . . 34951 1 2 'sodium azide' 'natural abundance' . . . . . . 1 . . % . . . . 34951 1 3 DSS 'natural abundance' . . . . . . 1 . . % . . . . 34951 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 34951 _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 34951 1 pressure 1 . atm 34951 1 temperature 288 . K 34951 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34951 _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 . . 34951 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34951 1 'peak picking' . 34951 1 refinement . 34951 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34951 _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 CCPN . . 34951 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34951 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 34951 _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 34951 _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 . . . 34951 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 34951 _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 . . . . . . . . . . . . . . . . . 34951 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34951 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34951 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 34951 _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 . . . . . 34951 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 34951 _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' . . . 34951 1 2 '2D 1H-1H TOCSY' . . . 34951 1 3 '2D 1H-1H NOESY' . . . 34951 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 4.338734426 0.00002803 . 1 . . . . A 1 GLU HA . 34951 1 2 . 1 . 1 1 1 GLU HB2 H 1 2.216231002 0.0002808870656 . 2 . . . . A 1 GLU HB2 . 34951 1 3 . 1 . 1 1 1 GLU HB3 H 1 2.216231002 0.0002808870624 . 2 . . . . A 1 GLU HB3 . 34951 1 4 . 1 . 1 1 1 GLU HG2 H 1 2.357080709 0.0005739446079 . 2 . . . . A 1 GLU HG2 . 34951 1 5 . 1 . 1 1 1 GLU HG3 H 1 2.357080709 0.0005739446079 . 2 . . . . A 1 GLU HG3 . 34951 1 6 . 1 . 1 2 2 GLU HA H 1 4.335145449 0.0001353146084 . 1 . . . . A 2 GLU HA . 34951 1 7 . 1 . 1 3 3 GLU H H 1 9.032548703 0.0007641235863 . 1 . . . . A 3 GLU H . 34951 1 8 . 1 . 1 3 3 GLU HA H 1 4.174460277 0.001391664015 . 1 . . . . A 3 GLU HA . 34951 1 9 . 1 . 1 3 3 GLU HB2 H 1 2.030105978 0.002436997782 . 2 . . . . A 3 GLU HB2 . 34951 1 10 . 1 . 1 3 3 GLU HB3 H 1 2.10279405 0.001278271879 . 2 . . . . A 3 GLU HB3 . 34951 1 11 . 1 . 1 3 3 GLU HG2 H 1 2.33829466 0.006243856177 . 2 . . . . A 3 GLU HG2 . 34951 1 12 . 1 . 1 3 3 GLU HG3 H 1 2.33829466 0.006243856177 . 2 . . . . A 3 GLU HG3 . 34951 1 13 . 1 . 1 4 4 ALA H H 1 8.675558979 0.003211687271 . 1 . . . . A 4 ALA H . 34951 1 14 . 1 . 1 4 4 ALA HA H 1 4.105305378 0.003126622972 . 1 . . . . A 4 ALA HA . 34951 1 15 . 1 . 1 4 4 ALA HB1 H 1 1.444982195 0.001699542704 . 1 . . . . A 4 ALA HB1 . 34951 1 16 . 1 . 1 4 4 ALA HB2 H 1 1.444982195 0.001699542704 . 1 . . . . A 4 ALA HB2 . 34951 1 17 . 1 . 1 4 4 ALA HB3 H 1 1.444982195 0.001699542704 . 1 . . . . A 4 ALA HB3 . 34951 1 18 . 1 . 1 5 5 VAL H H 1 7.454110073 0.0003276267316 . 1 . . . . A 5 VAL H . 34951 1 19 . 1 . 1 5 5 VAL HA H 1 3.874445339 0.002081096802 . 1 . . . . A 5 VAL HA . 34951 1 20 . 1 . 1 5 5 VAL HB H 1 2.202670959 0.001493520092 . 1 . . . . A 5 VAL HB . 34951 1 21 . 1 . 1 5 5 VAL HG11 H 1 1.036574339 0.002813642908 . 2 . . . . A 5 VAL HG11 . 34951 1 22 . 1 . 1 5 5 VAL HG12 H 1 1.036574339 0.002813642908 . 2 . . . . A 5 VAL HG12 . 34951 1 23 . 1 . 1 5 5 VAL HG13 H 1 1.036574339 0.002813642908 . 2 . . . . A 5 VAL HG13 . 34951 1 24 . 1 . 1 5 5 VAL HG21 H 1 1.036574339 0.002813642908 . 2 . . . . A 5 VAL HG21 . 34951 1 25 . 1 . 1 5 5 VAL HG22 H 1 1.036574339 0.002813642908 . 2 . . . . A 5 VAL HG22 . 34951 1 26 . 1 . 1 5 5 VAL HG23 H 1 1.036574339 0.002813642908 . 2 . . . . A 5 VAL HG23 . 34951 1 27 . 1 . 1 6 6 ARG H H 1 7.992282214 0.001427028093 . 1 . . . . A 6 ARG H . 34951 1 28 . 1 . 1 6 6 ARG HA H 1 4.041465834 0.001057162651 . 1 . . . . A 6 ARG HA . 34951 1 29 . 1 . 1 6 6 ARG HB2 H 1 1.901697018 0.001555759619 . 2 . . . . A 6 ARG HB2 . 34951 1 30 . 1 . 1 6 6 ARG HB3 H 1 1.973535094 0.002781195022 . 2 . . . . A 6 ARG HB3 . 34951 1 31 . 1 . 1 6 6 ARG HG2 H 1 1.541309655 0.0005859507674 . 2 . . . . A 6 ARG HG2 . 34951 1 32 . 1 . 1 6 6 ARG HG3 H 1 1.719046491 0.001047657275 . 2 . . . . A 6 ARG HG3 . 34951 1 33 . 1 . 1 6 6 ARG HD2 H 1 3.188524493 0.001384210785 . 2 . . . . A 6 ARG HD2 . 34951 1 34 . 1 . 1 6 6 ARG HD3 H 1 3.297220435 0.0007158027782 . 2 . . . . A 6 ARG HD3 . 34951 1 35 . 1 . 1 7 7 LEU H H 1 8.543541385 0.001026478347 . 1 . . . . A 7 LEU H . 34951 1 36 . 1 . 1 7 7 LEU HA H 1 4.115487723 0.001988726972 . 1 . . . . A 7 LEU HA . 34951 1 37 . 1 . 1 7 7 LEU HB2 H 1 1.402278107 0.003395048248 . 2 . . . . A 7 LEU HB2 . 34951 1 38 . 1 . 1 7 7 LEU HB3 H 1 1.894411635 0.0009456763505 . 2 . . . . A 7 LEU HB3 . 34951 1 39 . 1 . 1 7 7 LEU HG H 1 1.814305167 0.0008247471878 . 1 . . . . A 7 LEU HG . 34951 1 40 . 1 . 1 7 7 LEU HD11 H 1 0.8803045467 0.01111665716 . 2 . . . . A 7 LEU HD11 . 34951 1 41 . 1 . 1 7 7 LEU HD12 H 1 0.8803045467 0.01111665716 . 2 . . . . A 7 LEU HD12 . 34951 1 42 . 1 . 1 7 7 LEU HD13 H 1 0.8803045467 0.01111665716 . 2 . . . . A 7 LEU HD13 . 34951 1 43 . 1 . 1 7 7 LEU HD21 H 1 0.9228364074 0.003349825638 . 2 . . . . A 7 LEU HD21 . 34951 1 44 . 1 . 1 7 7 LEU HD22 H 1 0.9228364074 0.003349825638 . 2 . . . . A 7 LEU HD22 . 34951 1 45 . 1 . 1 7 7 LEU HD23 H 1 0.9228364074 0.003349825638 . 2 . . . . A 7 LEU HD23 . 34951 1 46 . 1 . 1 8 8 TYR H H 1 8.168334663 0.001907556604 . 1 . . . . A 8 TYR H . 34951 1 47 . 1 . 1 8 8 TYR HA H 1 4.189738951 0.001122138898 . 1 . . . . A 8 TYR HA . 34951 1 48 . 1 . 1 8 8 TYR HB2 H 1 3.193345627 0.0005707810823 . 2 . . . . A 8 TYR HB2 . 34951 1 49 . 1 . 1 8 8 TYR HB3 H 1 3.270985929 0.0003839083186 . 2 . . . . A 8 TYR HB3 . 34951 1 50 . 1 . 1 8 8 TYR HD1 H 1 7.058510902 0.002646460375 . 3 . . . . A 8 TYR HD1 . 34951 1 51 . 1 . 1 8 8 TYR HD2 H 1 7.058510902 0.002646460375 . 3 . . . . A 8 TYR HD2 . 34951 1 52 . 1 . 1 8 8 TYR HE1 H 1 6.836172417 0.001858937898 . 3 . . . . A 8 TYR HE1 . 34951 1 53 . 1 . 1 8 8 TYR HE2 H 1 6.836172417 0.001858937898 . 3 . . . . A 8 TYR HE2 . 34951 1 54 . 1 . 1 9 9 ILE H H 1 8.542226609 0.002763659393 . 1 . . . . A 9 ILE H . 34951 1 55 . 1 . 1 9 9 ILE HA H 1 3.720938697 0.0006474974247 . 1 . . . . A 9 ILE HA . 34951 1 56 . 1 . 1 9 9 ILE HB H 1 2.05089528 0.0006890881878 . 1 . . . . A 9 ILE HB . 34951 1 57 . 1 . 1 9 9 ILE HG12 H 1 1.385294646 0.001499926865 . 2 . . . . A 9 ILE HG12 . 34951 1 58 . 1 . 1 9 9 ILE HG13 H 1 1.878031382 0.0004686931614 . 2 . . . . A 9 ILE HG13 . 34951 1 59 . 1 . 1 9 9 ILE HG21 H 1 0.9622027081 0.01152862431 . 1 . . . . A 9 ILE HG21 . 34951 1 60 . 1 . 1 9 9 ILE HG22 H 1 0.9622027081 0.01152862431 . 1 . . . . A 9 ILE HG22 . 34951 1 61 . 1 . 1 9 9 ILE HG23 H 1 0.9622027081 0.01152862431 . 1 . . . . A 9 ILE HG23 . 34951 1 62 . 1 . 1 9 9 ILE HD11 H 1 0.9247789591 0.000930828321 . 1 . . . . A 9 ILE HD11 . 34951 1 63 . 1 . 1 9 9 ILE HD12 H 1 0.9247789591 0.000930828321 . 1 . . . . A 9 ILE HD12 . 34951 1 64 . 1 . 1 9 9 ILE HD13 H 1 0.9247789591 0.000930828321 . 1 . . . . A 9 ILE HD13 . 34951 1 65 . 1 . 1 10 10 GLN H H 1 8.020751226 0.004105583037 . 1 . . . . A 10 GLN H . 34951 1 66 . 1 . 1 10 10 GLN HA H 1 4.046596185 0.0001947352343 . 1 . . . . A 10 GLN HA . 34951 1 67 . 1 . 1 10 10 GLN HB2 H 1 2.180715046 0.001352987866 . 2 . . . . A 10 GLN HB2 . 34951 1 68 . 1 . 1 10 10 GLN HB3 H 1 2.180772843 0.001274808779 . 2 . . . . A 10 GLN HB3 . 34951 1 69 . 1 . 1 10 10 GLN HG2 H 1 2.376587721 0.0004881207251 . 2 . . . . A 10 GLN HG2 . 34951 1 70 . 1 . 1 10 10 GLN HG3 H 1 2.440357893 0.0009416784887 . 2 . . . . A 10 GLN HG3 . 34951 1 71 . 1 . 1 10 10 GLN HE21 H 1 6.992749027 0.0004967321858 . 2 . . . . A 10 GLN HE21 . 34951 1 72 . 1 . 1 10 10 GLN HE22 H 1 7.603440248 0.001102976699 . 2 . . . . A 10 GLN HE22 . 34951 1 73 . 1 . 1 11 11 TRP H H 1 8.052324809 0.0009461466258 . 1 . . . . A 11 TRP H . 34951 1 74 . 1 . 1 11 11 TRP HA H 1 4.294219926 0.00142592214 . 1 . . . . A 11 TRP HA . 34951 1 75 . 1 . 1 11 11 TRP HB2 H 1 3.202423624 0.0005809778559 . 2 . . . . A 11 TRP HB2 . 34951 1 76 . 1 . 1 11 11 TRP HB3 H 1 3.593193003 0.001214294056 . 2 . . . . A 11 TRP HB3 . 34951 1 77 . 1 . 1 11 11 TRP HD1 H 1 7.082284663 0.0007502979415 . 1 . . . . A 11 TRP HD1 . 34951 1 78 . 1 . 1 11 11 TRP HE1 H 1 9.681152958 0.002164412792 . 1 . . . . A 11 TRP HE1 . 34951 1 79 . 1 . 1 11 11 TRP HE3 H 1 7.123917372 0.00155250473 . 1 . . . . A 11 TRP HE3 . 34951 1 80 . 1 . 1 11 11 TRP HZ2 H 1 7.247353632 0.003379250826 . 1 . . . . A 11 TRP HZ2 . 34951 1 81 . 1 . 1 11 11 TRP HZ3 H 1 7.05905231 0.00120981598 . 1 . . . . A 11 TRP HZ3 . 34951 1 82 . 1 . 1 11 11 TRP HH2 H 1 7.214151181 0.001234436458 . 1 . . . . A 11 TRP HH2 . 34951 1 83 . 1 . 1 12 12 LEU H H 1 8.55200575 0.001230730186 . 1 . . . . A 12 LEU H . 34951 1 84 . 1 . 1 12 12 LEU HA H 1 3.385465398 0.001365478893 . 1 . . . . A 12 LEU HA . 34951 1 85 . 1 . 1 12 12 LEU HB2 H 1 1.389370028 0.0008112321112 . 2 . . . . A 12 LEU HB2 . 34951 1 86 . 1 . 1 12 12 LEU HB3 H 1 1.918096428 0.002543672632 . 2 . . . . A 12 LEU HB3 . 34951 1 87 . 1 . 1 12 12 LEU HG H 1 1.595196577 0.001470103464 . 1 . . . . A 12 LEU HG . 34951 1 88 . 1 . 1 12 12 LEU HD11 H 1 0.8268496865 0.001149114507 . 2 . . . . A 12 LEU HD11 . 34951 1 89 . 1 . 1 12 12 LEU HD12 H 1 0.8268496865 0.001149114507 . 2 . . . . A 12 LEU HD12 . 34951 1 90 . 1 . 1 12 12 LEU HD13 H 1 0.8268496865 0.001149114507 . 2 . . . . A 12 LEU HD13 . 34951 1 91 . 1 . 1 12 12 LEU HD21 H 1 0.9292294674 0.0003891964241 . 2 . . . . A 12 LEU HD21 . 34951 1 92 . 1 . 1 12 12 LEU HD22 H 1 0.9292294674 0.0003891964241 . 2 . . . . A 12 LEU HD22 . 34951 1 93 . 1 . 1 12 12 LEU HD23 H 1 0.9292294674 0.0003891964241 . 2 . . . . A 12 LEU HD23 . 34951 1 94 . 1 . 1 13 13 LYS H H 1 8.37107131 0.0008313935325 . 1 . . . . A 13 LYS H . 34951 1 95 . 1 . 1 13 13 LYS HA H 1 4.011635718 0.0009170421634 . 1 . . . . A 13 LYS HA . 34951 1 96 . 1 . 1 13 13 LYS HB2 H 1 1.942678895 0.001686634514 . 2 . . . . A 13 LYS HB2 . 34951 1 97 . 1 . 1 13 13 LYS HB3 H 1 1.942698923 0.001821002648 . 2 . . . . A 13 LYS HB3 . 34951 1 98 . 1 . 1 13 13 LYS HG2 H 1 1.449705075 0.002139613918 . 2 . . . . A 13 LYS HG2 . 34951 1 99 . 1 . 1 13 13 LYS HG3 H 1 1.449705075 0.002139613918 . 2 . . . . A 13 LYS HG3 . 34951 1 100 . 1 . 1 13 13 LYS HD2 H 1 1.661975316 0.0004302638637 . 2 . . . . A 13 LYS HD2 . 34951 1 101 . 1 . 1 13 13 LYS HD3 H 1 1.661975316 0.0004302638637 . 2 . . . . A 13 LYS HD3 . 34951 1 102 . 1 . 1 13 13 LYS HE2 H 1 2.941320918 0.001428447753 . 2 . . . . A 13 LYS HE2 . 34951 1 103 . 1 . 1 13 13 LYS HE3 H 1 2.941320918 0.001428447752 . 2 . . . . A 13 LYS HE3 . 34951 1 104 . 1 . 1 14 14 GLN H H 1 7.626767703 0.0009952770234 . 1 . . . . A 14 GLN H . 34951 1 105 . 1 . 1 14 14 GLN HA H 1 4.292691135 0.002072253093 . 1 . . . . A 14 GLN HA . 34951 1 106 . 1 . 1 14 14 GLN HB2 H 1 2.160569571 0.0005582091367 . 2 . . . . A 14 GLN HB2 . 34951 1 107 . 1 . 1 14 14 GLN HB3 H 1 2.16083576 0.000758991929 . 2 . . . . A 14 GLN HB3 . 34951 1 108 . 1 . 1 14 14 GLN HG2 H 1 2.415048762 0.002173702294 . 2 . . . . A 14 GLN HG2 . 34951 1 109 . 1 . 1 14 14 GLN HG3 H 1 2.579564583 0.001366938007 . 2 . . . . A 14 GLN HG3 . 34951 1 110 . 1 . 1 14 14 GLN HE21 H 1 6.837269792 0.001264743675 . 2 . . . . A 14 GLN HE21 . 34951 1 111 . 1 . 1 14 14 GLN HE22 H 1 7.467280298 0.0007381856295 . 2 . . . . A 14 GLN HE22 . 34951 1 112 . 1 . 1 15 15 GLY H H 1 7.59648485 0.0008384459175 . 1 . . . . A 15 GLY H . 34951 1 113 . 1 . 1 15 15 GLY HA2 H 1 3.522629337 0.0004404416109 . 2 . . . . A 15 GLY HA2 . 34951 1 114 . 1 . 1 15 15 GLY HA3 H 1 4.155355833 0.0001023614636 . 2 . . . . A 15 GLY HA3 . 34951 1 115 . 1 . 1 16 16 GLY H H 1 8.085124546 0.0006077841525 . 1 . . . . A 16 GLY H . 34951 1 116 . 1 . 1 16 16 GLY HA2 H 1 1.331883677 0.001006094582 . 2 . . . . A 16 GLY HA2 . 34951 1 117 . 1 . 1 16 16 GLY HA3 H 1 3.123845909 0.0011774431 . 2 . . . . A 16 GLY HA3 . 34951 1 118 . 1 . 1 17 17 PRO HA H 1 4.586259579 0.001060083751 . 1 . . . . A 17 PRO HA . 34951 1 119 . 1 . 1 17 17 PRO HB2 H 1 2.054035505 0.001805192148 . 2 . . . . A 17 PRO HB2 . 34951 1 120 . 1 . 1 17 17 PRO HB3 H 1 2.484144571 0.001625099322 . 2 . . . . A 17 PRO HB3 . 34951 1 121 . 1 . 1 17 17 PRO HG2 H 1 2.13670392 0.003806235733 . 2 . . . . A 17 PRO HG2 . 34951 1 122 . 1 . 1 17 17 PRO HG3 H 1 2.13670392 0.003806235733 . 2 . . . . A 17 PRO HG3 . 34951 1 123 . 1 . 1 17 17 PRO HD2 H 1 3.340189282 0.002513586208 . 2 . . . . A 17 PRO HD2 . 34951 1 124 . 1 . 1 17 17 PRO HD3 H 1 3.757103033 0.0009064739761 . 2 . . . . A 17 PRO HD3 . 34951 1 125 . 1 . 1 18 18 SER H H 1 7.923147073 0.0003598319619 . 1 . . . . A 18 SER H . 34951 1 126 . 1 . 1 18 18 SER HA H 1 4.44842386 0.0002168573192 . 1 . . . . A 18 SER HA . 34951 1 127 . 1 . 1 18 18 SER HB2 H 1 3.922535563 0.002074827081 . 2 . . . . A 18 SER HB2 . 34951 1 128 . 1 . 1 18 18 SER HB3 H 1 3.922896578 0.001769350588 . 2 . . . . A 18 SER HB3 . 34951 1 129 . 1 . 1 19 19 SER H H 1 8.134695819 0.0007177802971 . 1 . . . . A 19 SER H . 34951 1 130 . 1 . 1 19 19 SER HA H 1 4.274516125 0.001890108446 . 1 . . . . A 19 SER HA . 34951 1 131 . 1 . 1 19 19 SER HB2 H 1 3.630965671 0.0005296017354 . 2 . . . . A 19 SER HB2 . 34951 1 132 . 1 . 1 19 19 SER HB3 H 1 3.924140474 0.001315129009 . 2 . . . . A 19 SER HB3 . 34951 1 133 . 1 . 1 20 20 GLY H H 1 8.043177019 0.000463475155 . 1 . . . . A 20 GLY H . 34951 1 134 . 1 . 1 20 20 GLY HA2 H 1 3.859418207 0.001057217356 . 2 . . . . A 20 GLY HA2 . 34951 1 135 . 1 . 1 20 20 GLY HA3 H 1 4.206418748 0.000111598122 . 2 . . . . A 20 GLY HA3 . 34951 1 136 . 1 . 1 21 21 ARG H H 1 8.024533495 0.0001373454505 . 1 . . . . A 21 ARG H . 34951 1 137 . 1 . 1 21 21 ARG HA H 1 4.853767747 0.001399397044 . 1 . . . . A 21 ARG HA . 34951 1 138 . 1 . 1 21 21 ARG HB2 H 1 1.781393536 0.001891653931 . 2 . . . . A 21 ARG HB2 . 34951 1 139 . 1 . 1 21 21 ARG HB3 H 1 1.932425562 0.003165794578 . 2 . . . . A 21 ARG HB3 . 34951 1 140 . 1 . 1 21 21 ARG HG2 H 1 1.658358936 0.001339953887 . 2 . . . . A 21 ARG HG2 . 34951 1 141 . 1 . 1 21 21 ARG HG3 H 1 1.694700624 0.0001625655073 . 2 . . . . A 21 ARG HG3 . 34951 1 142 . 1 . 1 21 21 ARG HD2 H 1 3.243473294 0.0002225094838 . 2 . . . . A 21 ARG HD2 . 34951 1 143 . 1 . 1 21 21 ARG HD3 H 1 3.244250211 0.0004518236597 . 2 . . . . A 21 ARG HD3 . 34951 1 144 . 1 . 1 22 22 PRO HA H 1 4.692878753 0.003397069613 . 1 . . . . A 22 PRO HA . 34951 1 145 . 1 . 1 22 22 PRO HB2 H 1 1.802504111 0.007925454704 . 2 . . . . A 22 PRO HB2 . 34951 1 146 . 1 . 1 22 22 PRO HB3 H 1 2.284175863 0.001427347077 . 2 . . . . A 22 PRO HB3 . 34951 1 147 . 1 . 1 22 22 PRO HG2 H 1 2.001295376 0.005131369723 . 2 . . . . A 22 PRO HG2 . 34951 1 148 . 1 . 1 22 22 PRO HG3 H 1 2.001295376 0.005131369723 . 2 . . . . A 22 PRO HG3 . 34951 1 149 . 1 . 1 22 22 PRO HD2 H 1 3.646365157 0.002323339498 . 2 . . . . A 22 PRO HD2 . 34951 1 150 . 1 . 1 22 22 PRO HD3 H 1 3.854022072 0.001183642602 . 2 . . . . A 22 PRO HD3 . 34951 1 151 . 1 . 1 23 23 PRO HA H 1 2.851875731 0.005418253201 . 1 . . . . A 23 PRO HA . 34951 1 152 . 1 . 1 23 23 PRO HB2 H 1 0.7315812572 0.005525570886 . 2 . . . . A 23 PRO HB2 . 34951 1 153 . 1 . 1 23 23 PRO HB3 H 1 1.465234351 0.002945599267 . 2 . . . . A 23 PRO HB3 . 34951 1 154 . 1 . 1 23 23 PRO HG2 H 1 1.676059821 0.002835061853 . 2 . . . . A 23 PRO HG2 . 34951 1 155 . 1 . 1 23 23 PRO HG3 H 1 1.760993017 0.00223626736 . 2 . . . . A 23 PRO HG3 . 34951 1 156 . 1 . 1 23 23 PRO HD2 H 1 3.50721039 0.002978495218 . 2 . . . . A 23 PRO HD2 . 34951 1 157 . 1 . 1 23 23 PRO HD3 H 1 3.50721039 0.002978495217 . 2 . . . . A 23 PRO HD3 . 34951 1 158 . 1 . 1 24 24 PRO HA H 1 4.301454603 0.001200161493 . 1 . . . . A 24 PRO HA . 34951 1 159 . 1 . 1 24 24 PRO HB2 H 1 1.991150523 0.0006050716788 . 2 . . . . A 24 PRO HB2 . 34951 1 160 . 1 . 1 24 24 PRO HB3 H 1 2.230634344 0.001458429039 . 2 . . . . A 24 PRO HB3 . 34951 1 161 . 1 . 1 24 24 PRO HG2 H 1 1.834389456 0.0006287861823 . 2 . . . . A 24 PRO HG2 . 34951 1 162 . 1 . 1 24 24 PRO HG3 H 1 1.946009647 0.0004845025375 . 2 . . . . A 24 PRO HG3 . 34951 1 163 . 1 . 1 24 24 PRO HD2 H 1 3.07122973 0.002773076901 . 2 . . . . A 24 PRO HD2 . 34951 1 164 . 1 . 1 24 24 PRO HD3 H 1 3.17727011 0.0008660874378 . 2 . . . . A 24 PRO HD3 . 34951 1 165 . 1 . 1 25 25 SER H H 1 7.792660274 0.002412982876 . 1 . . . . A 25 SER H . 34951 1 166 . 1 . 1 25 25 SER HA H 1 4.158120805 0.000237125264 . 1 . . . . A 25 SER HA . 34951 1 167 . 1 . 1 25 25 SER HB2 H 1 3.790189909 0.0009489036394 . 2 . . . . A 25 SER HB2 . 34951 1 168 . 1 . 1 25 25 SER HB3 H 1 3.790189909 0.0009489036394 . 2 . . . . A 25 SER HB3 . 34951 1 stop_ save_