data_34950 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34950 _Entry.Title ; Trp-cage fortified Tc5b-Exenatide chimera (Ex-4-Tc5bQR) at 277K ; _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. . . . 34950 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 34950 'Disulfide bond' . 34950 Exenatide . 34950 'GLP-1R ligand' . 34950 Miniprotein . 34950 'Trp-Cage DE NOVO PROTEIN' . 34950 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34950 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 168 34950 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' 34950 1 . . 2024-09-16 2024-08-07 original author 'original release' 34950 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9GE9 'BMRB Entry Tracking System' 34950 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34950 _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. . . . 34950 1 2 Pal Straner P. . . . 34950 1 3 Nora Taricska N. . . . 34950 1 4 Zsolt Fazekas Z. . . . 34950 1 5 Dora Menyhard D. K. . . 34950 1 6 Andras Perczel A. . . . 34950 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34950 _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 . . . . . . 34950 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34950 _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 . 34950 1 2 . GLU . 34950 1 3 . GLU . 34950 1 4 . ALA . 34950 1 5 . VAL . 34950 1 6 . ARG . 34950 1 7 . LEU . 34950 1 8 . TYR . 34950 1 9 . ILE . 34950 1 10 . GLN . 34950 1 11 . TRP . 34950 1 12 . LEU . 34950 1 13 . LYS . 34950 1 14 . GLN . 34950 1 15 . GLY . 34950 1 16 . GLY . 34950 1 17 . PRO . 34950 1 18 . SER . 34950 1 19 . SER . 34950 1 20 . GLY . 34950 1 21 . ARG . 34950 1 22 . PRO . 34950 1 23 . PRO . 34950 1 24 . PRO . 34950 1 25 . SER . 34950 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 34950 1 . GLU 2 2 34950 1 . GLU 3 3 34950 1 . ALA 4 4 34950 1 . VAL 5 5 34950 1 . ARG 6 6 34950 1 . LEU 7 7 34950 1 . TYR 8 8 34950 1 . ILE 9 9 34950 1 . GLN 10 10 34950 1 . TRP 11 11 34950 1 . LEU 12 12 34950 1 . LYS 13 13 34950 1 . GLN 14 14 34950 1 . GLY 15 15 34950 1 . GLY 16 16 34950 1 . PRO 17 17 34950 1 . SER 18 18 34950 1 . SER 19 19 34950 1 . GLY 20 20 34950 1 . ARG 21 21 34950 1 . PRO 22 22 34950 1 . PRO 23 23 34950 1 . PRO 24 24 34950 1 . SER 25 25 34950 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 34950 _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 . . . . . . . . . . . . . 34950 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 34950 _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 . . . . . . . . . . 34950 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34950 _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 . . . . 34950 1 2 'sodium azide' 'natural abundance' . . . . . . 1 . . % . . . . 34950 1 3 DSS 'natural abundance' . . . . . . 1 . . % . . . . 34950 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 34950 _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 7.15 . pH 34950 1 pressure 1 . atm 34950 1 temperature 277 . K 34950 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34950 _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 . . 34950 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34950 1 'peak picking' . 34950 1 refinement . 34950 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34950 _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.' . . 34950 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34950 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 34950 _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 34950 _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 . . . 34950 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 34950 _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 . . . . . . . . . . . . . . . . . 34950 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34950 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34950 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 34950 _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 . . . . . 34950 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 34950 _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' . . . 34950 1 2 '2D 1H-1H TOCSY' . . . 34950 1 3 '2D 1H-1H NOESY' . . . 34950 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 4.335225652 0.002308736798 . 1 . . . . A 2 GLU HA . 34950 1 2 . 1 . 1 3 3 GLU H H 1 9.120163247 0.001603964894 . 1 . . . . A 3 GLU H . 34950 1 3 . 1 . 1 3 3 GLU HA H 1 4.208284144 0.004366795627 . 1 . . . . A 3 GLU HA . 34950 1 4 . 1 . 1 3 3 GLU HB2 H 1 2.018949109 0.006642944796 . 2 . . . . A 3 GLU HB2 . 34950 1 5 . 1 . 1 3 3 GLU HB3 H 1 2.124909466 0.008253567184 . 2 . . . . A 3 GLU HB3 . 34950 1 6 . 1 . 1 3 3 GLU HG2 H 1 2.329343395 0.001872578479 . 2 . . . . A 3 GLU HG2 . 34950 1 7 . 1 . 1 3 3 GLU HG3 H 1 2.356482978 0.001435733398 . 2 . . . . A 3 GLU HG3 . 34950 1 8 . 1 . 1 4 4 ALA H H 1 8.764041122 0.002463470465 . 1 . . . . A 4 ALA H . 34950 1 9 . 1 . 1 4 4 ALA HA H 1 4.093769492 0.01866718528 . 1 . . . . A 4 ALA HA . 34950 1 10 . 1 . 1 4 4 ALA HB1 H 1 1.446064147 0.002925178847 . 1 . . . . A 4 ALA HB1 . 34950 1 11 . 1 . 1 4 4 ALA HB2 H 1 1.446064147 0.002925178847 . 1 . . . . A 4 ALA HB2 . 34950 1 12 . 1 . 1 4 4 ALA HB3 H 1 1.446064147 0.002925178847 . 1 . . . . A 4 ALA HB3 . 34950 1 13 . 1 . 1 5 5 VAL H H 1 7.419628528 0.004271321265 . 1 . . . . A 5 VAL H . 34950 1 14 . 1 . 1 5 5 VAL HA H 1 3.855396487 0.001290710498 . 1 . . . . A 5 VAL HA . 34950 1 15 . 1 . 1 5 5 VAL HB H 1 2.221632851 0.01151986001 . 1 . . . . A 5 VAL HB . 34950 1 16 . 1 . 1 5 5 VAL HG11 H 1 1.038765636 0.003038634329 . 2 . . . . A 5 VAL HG11 . 34950 1 17 . 1 . 1 5 5 VAL HG12 H 1 1.038765636 0.003038634329 . 2 . . . . A 5 VAL HG12 . 34950 1 18 . 1 . 1 5 5 VAL HG13 H 1 1.038765636 0.003038634329 . 2 . . . . A 5 VAL HG13 . 34950 1 19 . 1 . 1 5 5 VAL HG21 H 1 1.038765636 0.003038634329 . 2 . . . . A 5 VAL HG21 . 34950 1 20 . 1 . 1 5 5 VAL HG22 H 1 1.038765636 0.003038634329 . 2 . . . . A 5 VAL HG22 . 34950 1 21 . 1 . 1 5 5 VAL HG23 H 1 1.038765636 0.003038634329 . 2 . . . . A 5 VAL HG23 . 34950 1 22 . 1 . 1 6 6 ARG H H 1 8.041171048 0.001229227992 . 1 . . . . A 6 ARG H . 34950 1 23 . 1 . 1 6 6 ARG HA H 1 4.023594613 0.003811444462 . 1 . . . . A 6 ARG HA . 34950 1 24 . 1 . 1 6 6 ARG HB2 H 1 1.897922809 0.00110010249 . 2 . . . . A 6 ARG HB2 . 34950 1 25 . 1 . 1 6 6 ARG HB3 H 1 2.009950831 0.002537809461 . 2 . . . . A 6 ARG HB3 . 34950 1 26 . 1 . 1 6 6 ARG HG2 H 1 1.517454433 0.001520599678 . 2 . . . . A 6 ARG HG2 . 34950 1 27 . 1 . 1 6 6 ARG HG3 H 1 1.719022488 0.001246908549 . 2 . . . . A 6 ARG HG3 . 34950 1 28 . 1 . 1 6 6 ARG HD2 H 1 3.162456061 0.001944720055 . 2 . . . . A 6 ARG HD2 . 34950 1 29 . 1 . 1 6 6 ARG HD3 H 1 3.316326064 0.001178626887 . 2 . . . . A 6 ARG HD3 . 34950 1 30 . 1 . 1 6 6 ARG HE H 1 7.898918931 0.001910775416 . 1 . . . . A 6 ARG HE . 34950 1 31 . 1 . 1 6 6 ARG HH11 H 1 6.97568331 0.003866093089 . 2 . . . . A 6 ARG HH11 . 34950 1 32 . 1 . 1 6 6 ARG HH12 H 1 6.97568331 0.003866093089 . 2 . . . . A 6 ARG HH12 . 34950 1 33 . 1 . 1 7 7 LEU H H 1 8.654598557 0.002293197195 . 1 . . . . A 7 LEU H . 34950 1 34 . 1 . 1 7 7 LEU HA H 1 4.110012658 0.001149212539 . 1 . . . . A 7 LEU HA . 34950 1 35 . 1 . 1 7 7 LEU HB2 H 1 1.392210939 0.001071459338 . 2 . . . . A 7 LEU HB2 . 34950 1 36 . 1 . 1 7 7 LEU HB3 H 1 1.922698207 0.001886528376 . 2 . . . . A 7 LEU HB3 . 34950 1 37 . 1 . 1 7 7 LEU HG H 1 1.831389398 0.003102183049 . 1 . . . . A 7 LEU HG . 34950 1 38 . 1 . 1 7 7 LEU HD11 H 1 0.8829398023 0.001924381528 . 2 . . . . A 7 LEU HD11 . 34950 1 39 . 1 . 1 7 7 LEU HD12 H 1 0.8829398023 0.001924381528 . 2 . . . . A 7 LEU HD12 . 34950 1 40 . 1 . 1 7 7 LEU HD13 H 1 0.8829398023 0.001924381528 . 2 . . . . A 7 LEU HD13 . 34950 1 41 . 1 . 1 7 7 LEU HD21 H 1 0.933190927 0.004475541376 . 2 . . . . A 7 LEU HD21 . 34950 1 42 . 1 . 1 7 7 LEU HD22 H 1 0.933190927 0.004475541376 . 2 . . . . A 7 LEU HD22 . 34950 1 43 . 1 . 1 7 7 LEU HD23 H 1 0.933190927 0.004475541376 . 2 . . . . A 7 LEU HD23 . 34950 1 44 . 1 . 1 8 8 TYR H H 1 8.198510536 0.001791961356 . 1 . . . . A 8 TYR H . 34950 1 45 . 1 . 1 8 8 TYR HA H 1 4.180377233 0.004489095874 . 1 . . . . A 8 TYR HA . 34950 1 46 . 1 . 1 8 8 TYR HB2 H 1 3.201791037 0.00104923216 . 2 . . . . A 8 TYR HB2 . 34950 1 47 . 1 . 1 8 8 TYR HB3 H 1 3.291981307 0.001618704778 . 2 . . . . A 8 TYR HB3 . 34950 1 48 . 1 . 1 8 8 TYR HD1 H 1 7.075985844 0.002653308328 . 3 . . . . A 8 TYR HD1 . 34950 1 49 . 1 . 1 8 8 TYR HD2 H 1 7.075985844 0.002653308328 . 3 . . . . A 8 TYR HD2 . 34950 1 50 . 1 . 1 8 8 TYR HE1 H 1 6.843319693 0.002269941585 . 3 . . . . A 8 TYR HE1 . 34950 1 51 . 1 . 1 8 8 TYR HE2 H 1 6.843319693 0.002269941585 . 3 . . . . A 8 TYR HE2 . 34950 1 52 . 1 . 1 9 9 ILE H H 1 8.628284935 0.002345698157 . 1 . . . . A 9 ILE H . 34950 1 53 . 1 . 1 9 9 ILE HA H 1 3.712188564 0.002886867272 . 1 . . . . A 9 ILE HA . 34950 1 54 . 1 . 1 9 9 ILE HB H 1 2.053985542 0.0009765725621 . 1 . . . . A 9 ILE HB . 34950 1 55 . 1 . 1 9 9 ILE HG12 H 1 1.382724324 0.000188933038 . 2 . . . . A 9 ILE HG12 . 34950 1 56 . 1 . 1 9 9 ILE HG13 H 1 1.915138585 0.001874390257 . 2 . . . . A 9 ILE HG13 . 34950 1 57 . 1 . 1 9 9 ILE HG21 H 1 0.9761018302 0.004133219028 . 1 . . . . A 9 ILE HG21 . 34950 1 58 . 1 . 1 9 9 ILE HG22 H 1 0.9761018302 0.004133219028 . 1 . . . . A 9 ILE HG22 . 34950 1 59 . 1 . 1 9 9 ILE HG23 H 1 0.9761018302 0.004133219028 . 1 . . . . A 9 ILE HG23 . 34950 1 60 . 1 . 1 9 9 ILE HD11 H 1 0.9280749902 0.000715430358 . 1 . . . . A 9 ILE HD11 . 34950 1 61 . 1 . 1 9 9 ILE HD12 H 1 0.9280749902 0.000715430358 . 1 . . . . A 9 ILE HD12 . 34950 1 62 . 1 . 1 9 9 ILE HD13 H 1 0.9280749902 0.000715430358 . 1 . . . . A 9 ILE HD13 . 34950 1 63 . 1 . 1 10 10 GLN H H 1 8.043986762 0.001393766011 . 1 . . . . A 10 GLN H . 34950 1 64 . 1 . 1 10 10 GLN HA H 1 4.065070232 0.001976015916 . 1 . . . . A 10 GLN HA . 34950 1 65 . 1 . 1 10 10 GLN HB2 H 1 2.189165487 0.004566833139 . 2 . . . . A 10 GLN HB2 . 34950 1 66 . 1 . 1 10 10 GLN HB3 H 1 2.189165487 0.004566833139 . 2 . . . . A 10 GLN HB3 . 34950 1 67 . 1 . 1 10 10 GLN HG2 H 1 2.357714107 0.008365705218 . 2 . . . . A 10 GLN HG2 . 34950 1 68 . 1 . 1 10 10 GLN HG3 H 1 2.430221007 0.002438194131 . 2 . . . . A 10 GLN HG3 . 34950 1 69 . 1 . 1 10 10 GLN HE21 H 1 7.07743214 0.001432433265 . 2 . . . . A 10 GLN HE21 . 34950 1 70 . 1 . 1 10 10 GLN HE22 H 1 7.709759283 0.0006997109256 . 2 . . . . A 10 GLN HE22 . 34950 1 71 . 1 . 1 11 11 TRP H H 1 8.078338269 0.0007322955535 . 1 . . . . A 11 TRP H . 34950 1 72 . 1 . 1 11 11 TRP HA H 1 4.299518326 0.002150989376 . 1 . . . . A 11 TRP HA . 34950 1 73 . 1 . 1 11 11 TRP HB2 H 1 3.197730016 0.005568404429 . 2 . . . . A 11 TRP HB2 . 34950 1 74 . 1 . 1 11 11 TRP HB3 H 1 3.603112258 0.00237902044 . 2 . . . . A 11 TRP HB3 . 34950 1 75 . 1 . 1 11 11 TRP HD1 H 1 7.0830288 0.003696905737 . 1 . . . . A 11 TRP HD1 . 34950 1 76 . 1 . 1 11 11 TRP HE1 H 1 9.672367047 0.002582021047 . 1 . . . . A 11 TRP HE1 . 34950 1 77 . 1 . 1 11 11 TRP HE3 H 1 7.133320126 0.00146101037 . 1 . . . . A 11 TRP HE3 . 34950 1 78 . 1 . 1 11 11 TRP HZ2 H 1 7.234888924 0.002340086466 . 1 . . . . A 11 TRP HZ2 . 34950 1 79 . 1 . 1 11 11 TRP HZ3 H 1 7.088960543 0.0007333460031 . 1 . . . . A 11 TRP HZ3 . 34950 1 80 . 1 . 1 11 11 TRP HH2 H 1 7.22192119 0.00728013399 . 1 . . . . A 11 TRP HH2 . 34950 1 81 . 1 . 1 12 12 LEU H H 1 8.611308452 0.0008732397152 . 1 . . . . A 12 LEU H . 34950 1 82 . 1 . 1 12 12 LEU HA H 1 3.35766225 0.0009160957494 . 1 . . . . A 12 LEU HA . 34950 1 83 . 1 . 1 12 12 LEU HB2 H 1 1.382878069 0.002540281243 . 2 . . . . A 12 LEU HB2 . 34950 1 84 . 1 . 1 12 12 LEU HB3 H 1 1.948528433 0.002696736061 . 2 . . . . A 12 LEU HB3 . 34950 1 85 . 1 . 1 12 12 LEU HG H 1 1.602841721 0.003824162385 . 1 . . . . A 12 LEU HG . 34950 1 86 . 1 . 1 12 12 LEU HD11 H 1 0.837296256 0.001753556997 . 2 . . . . A 12 LEU HD11 . 34950 1 87 . 1 . 1 12 12 LEU HD12 H 1 0.837296256 0.001753556997 . 2 . . . . A 12 LEU HD12 . 34950 1 88 . 1 . 1 12 12 LEU HD13 H 1 0.837296256 0.001753556997 . 2 . . . . A 12 LEU HD13 . 34950 1 89 . 1 . 1 12 12 LEU HD21 H 1 0.9476965225 0.001975802733 . 2 . . . . A 12 LEU HD21 . 34950 1 90 . 1 . 1 12 12 LEU HD22 H 1 0.9476965225 0.001975802733 . 2 . . . . A 12 LEU HD22 . 34950 1 91 . 1 . 1 12 12 LEU HD23 H 1 0.9476965225 0.001975802733 . 2 . . . . A 12 LEU HD23 . 34950 1 92 . 1 . 1 13 13 LYS H H 1 8.413456985 0.002255355226 . 1 . . . . A 13 LYS H . 34950 1 93 . 1 . 1 13 13 LYS HA H 1 4.004867085 0.0006440583249 . 1 . . . . A 13 LYS HA . 34950 1 94 . 1 . 1 13 13 LYS HB2 H 1 1.958555504 0.0009535062777 . 2 . . . . A 13 LYS HB2 . 34950 1 95 . 1 . 1 13 13 LYS HB3 H 1 1.95918752 0.0005072749405 . 2 . . . . A 13 LYS HB3 . 34950 1 96 . 1 . 1 13 13 LYS HG2 H 1 1.444222826 0.002595178434 . 2 . . . . A 13 LYS HG2 . 34950 1 97 . 1 . 1 13 13 LYS HG3 H 1 1.444222826 0.002595178433 . 2 . . . . A 13 LYS HG3 . 34950 1 98 . 1 . 1 13 13 LYS HD2 H 1 1.664782684 0.002003808867 . 2 . . . . A 13 LYS HD2 . 34950 1 99 . 1 . 1 13 13 LYS HD3 H 1 1.664782684 0.002003808867 . 2 . . . . A 13 LYS HD3 . 34950 1 100 . 1 . 1 13 13 LYS HE2 H 1 2.941770126 0.001192894108 . 2 . . . . A 13 LYS HE2 . 34950 1 101 . 1 . 1 13 13 LYS HE3 H 1 2.941770126 0.001192894106 . 2 . . . . A 13 LYS HE3 . 34950 1 102 . 1 . 1 14 14 GLN H H 1 7.63344291 0.001145697709 . 1 . . . . A 14 GLN H . 34950 1 103 . 1 . 1 14 14 GLN HA H 1 4.297375758 0.0009127643759 . 1 . . . . A 14 GLN HA . 34950 1 104 . 1 . 1 14 14 GLN HB2 H 1 2.180324511 0.001280193726 . 2 . . . . A 14 GLN HB2 . 34950 1 105 . 1 . 1 14 14 GLN HB3 H 1 2.18060543 0.001132932016 . 2 . . . . A 14 GLN HB3 . 34950 1 106 . 1 . 1 14 14 GLN HG2 H 1 2.415197588 0.004976149051 . 2 . . . . A 14 GLN HG2 . 34950 1 107 . 1 . 1 14 14 GLN HG3 H 1 2.608067039 0.002690099121 . 2 . . . . A 14 GLN HG3 . 34950 1 108 . 1 . 1 14 14 GLN HE21 H 1 6.884844765 0.001844814892 . 2 . . . . A 14 GLN HE21 . 34950 1 109 . 1 . 1 14 14 GLN HE22 H 1 7.544500772 0.0008948168096 . 2 . . . . A 14 GLN HE22 . 34950 1 110 . 1 . 1 15 15 GLY H H 1 7.579420282 0.0026544304 . 1 . . . . A 15 GLY H . 34950 1 111 . 1 . 1 15 15 GLY HA2 H 1 3.49704432 0.0009497777742 . 2 . . . . A 15 GLY HA2 . 34950 1 112 . 1 . 1 15 15 GLY HA3 H 1 4.178976293 0.0007158485504 . 2 . . . . A 15 GLY HA3 . 34950 1 113 . 1 . 1 16 16 GLY H H 1 8.113344795 0.002431965328 . 1 . . . . A 16 GLY H . 34950 1 114 . 1 . 1 16 16 GLY HA2 H 1 1.13688082 0.003948936692 . 2 . . . . A 16 GLY HA2 . 34950 1 115 . 1 . 1 16 16 GLY HA3 H 1 3.116682517 0.003152320391 . 2 . . . . A 16 GLY HA3 . 34950 1 116 . 1 . 1 17 17 PRO HA H 1 4.615463302 0.002262475593 . 1 . . . . A 17 PRO HA . 34950 1 117 . 1 . 1 17 17 PRO HB2 H 1 2.071668141 0.002264120837 . 2 . . . . A 17 PRO HB2 . 34950 1 118 . 1 . 1 17 17 PRO HB3 H 1 2.510204315 0.002890778689 . 2 . . . . A 17 PRO HB3 . 34950 1 119 . 1 . 1 17 17 PRO HG2 H 1 2.159025866 0.004360078895 . 2 . . . . A 17 PRO HG2 . 34950 1 120 . 1 . 1 17 17 PRO HG3 H 1 2.159025866 0.004360078895 . 2 . . . . A 17 PRO HG3 . 34950 1 121 . 1 . 1 17 17 PRO HD2 H 1 3.365901883 0.001084555079 . 2 . . . . A 17 PRO HD2 . 34950 1 122 . 1 . 1 17 17 PRO HD3 H 1 3.784919215 0.002036606103 . 2 . . . . A 17 PRO HD3 . 34950 1 123 . 1 . 1 18 18 SER H H 1 7.958125747 0.001214392063 . 1 . . . . A 18 SER H . 34950 1 124 . 1 . 1 18 18 SER HA H 1 4.453722498 0.0007356442034 . 1 . . . . A 18 SER HA . 34950 1 125 . 1 . 1 18 18 SER HB2 H 1 3.933121206 0.002920767727 . 2 . . . . A 18 SER HB2 . 34950 1 126 . 1 . 1 18 18 SER HB3 H 1 3.933121206 0.002920767726 . 2 . . . . A 18 SER HB3 . 34950 1 127 . 1 . 1 19 19 SER H H 1 8.153872595 0.002011724517 . 1 . . . . A 19 SER H . 34950 1 128 . 1 . 1 19 19 SER HA H 1 4.265083417 0.000375692653 . 1 . . . . A 19 SER HA . 34950 1 129 . 1 . 1 19 19 SER HB2 H 1 3.606161982 0.003549058074 . 2 . . . . A 19 SER HB2 . 34950 1 130 . 1 . 1 19 19 SER HB3 H 1 3.606194799 0.003240662867 . 2 . . . . A 19 SER HB3 . 34950 1 131 . 1 . 1 19 19 SER HG H 1 5.413545511 0.0023479325 . 1 . . . . A 19 SER HG . 34950 1 132 . 1 . 1 20 20 GLY H H 1 8.074279285 0.001372320457 . 1 . . . . A 20 GLY H . 34950 1 133 . 1 . 1 20 20 GLY HA2 H 1 3.855754101 0.001425510911 . 2 . . . . A 20 GLY HA2 . 34950 1 134 . 1 . 1 20 20 GLY HA3 H 1 4.215695757 0.002379584915 . 2 . . . . A 20 GLY HA3 . 34950 1 135 . 1 . 1 21 21 ARG H H 1 8.044091865 0.002402268794 . 1 . . . . A 21 ARG H . 34950 1 136 . 1 . 1 21 21 ARG HA H 1 4.875710493 0.0009547087137 . 1 . . . . A 21 ARG HA . 34950 1 137 . 1 . 1 21 21 ARG HB2 H 1 1.790233702 0.003514869328 . 2 . . . . A 21 ARG HB2 . 34950 1 138 . 1 . 1 21 21 ARG HB3 H 1 1.942288847 0.003033909275 . 2 . . . . A 21 ARG HB3 . 34950 1 139 . 1 . 1 21 21 ARG HG2 H 1 1.666592799 0.001517993876 . 2 . . . . A 21 ARG HG2 . 34950 1 140 . 1 . 1 21 21 ARG HG3 H 1 1.711137137 0.001260043859 . 2 . . . . A 21 ARG HG3 . 34950 1 141 . 1 . 1 21 21 ARG HD2 H 1 3.249141579 0.005919278297 . 2 . . . . A 21 ARG HD2 . 34950 1 142 . 1 . 1 21 21 ARG HD3 H 1 3.249359329 0.005566868731 . 2 . . . . A 21 ARG HD3 . 34950 1 143 . 1 . 1 21 21 ARG HE H 1 7.403428887 0.000674870247 . 1 . . . . A 21 ARG HE . 34950 1 144 . 1 . 1 22 22 PRO HA H 1 4.705145336 0.001871285256 . 1 . . . . A 22 PRO HA . 34950 1 145 . 1 . 1 22 22 PRO HB2 H 1 2.005950587 0.0023602771 . 2 . . . . A 22 PRO HB2 . 34950 1 146 . 1 . 1 22 22 PRO HB3 H 1 2.290887542 0.002414602717 . 2 . . . . A 22 PRO HB3 . 34950 1 147 . 1 . 1 22 22 PRO HG2 H 1 1.799932668 0.002094261169 . 2 . . . . A 22 PRO HG2 . 34950 1 148 . 1 . 1 22 22 PRO HG3 H 1 1.799932668 0.002094261169 . 2 . . . . A 22 PRO HG3 . 34950 1 149 . 1 . 1 22 22 PRO HD2 H 1 3.658103456 0.001125574989 . 2 . . . . A 22 PRO HD2 . 34950 1 150 . 1 . 1 22 22 PRO HD3 H 1 3.866490144 0.003812788818 . 2 . . . . A 22 PRO HD3 . 34950 1 151 . 1 . 1 23 23 PRO HA H 1 2.712676105 0.005949042854 . 1 . . . . A 23 PRO HA . 34950 1 152 . 1 . 1 23 23 PRO HB2 H 1 0.5994936553 0.002772624977 . 2 . . . . A 23 PRO HB2 . 34950 1 153 . 1 . 1 23 23 PRO HB3 H 1 1.439392537 0.003203214585 . 2 . . . . A 23 PRO HB3 . 34950 1 154 . 1 . 1 23 23 PRO HG2 H 1 1.672581894 0.004774893953 . 2 . . . . A 23 PRO HG2 . 34950 1 155 . 1 . 1 23 23 PRO HG3 H 1 1.743571235 0.001852136341 . 2 . . . . A 23 PRO HG3 . 34950 1 156 . 1 . 1 23 23 PRO HD2 H 1 3.506769438 0.002544483826 . 2 . . . . A 23 PRO HD2 . 34950 1 157 . 1 . 1 23 23 PRO HD3 H 1 3.506769438 0.002544483825 . 2 . . . . A 23 PRO HD3 . 34950 1 158 . 1 . 1 24 24 PRO HA H 1 4.296145627 0.00199128405 . 1 . . . . A 24 PRO HA . 34950 1 159 . 1 . 1 24 24 PRO HB2 H 1 2.019188326 0.003923285189 . 2 . . . . A 24 PRO HB2 . 34950 1 160 . 1 . 1 24 24 PRO HB3 H 1 2.236708053 0.008012398128 . 2 . . . . A 24 PRO HB3 . 34950 1 161 . 1 . 1 24 24 PRO HG2 H 1 1.836324999 0.001461553641 . 2 . . . . A 24 PRO HG2 . 34950 1 162 . 1 . 1 24 24 PRO HG3 H 1 1.958159159 0.002633438009 . 2 . . . . A 24 PRO HG3 . 34950 1 163 . 1 . 1 24 24 PRO HD2 H 1 3.056457941 0.003024257235 . 2 . . . . A 24 PRO HD2 . 34950 1 164 . 1 . 1 24 24 PRO HD3 H 1 3.162029259 0.0009318356369 . 2 . . . . A 24 PRO HD3 . 34950 1 165 . 1 . 1 25 25 SER H H 1 7.868528652 0.0009143393695 . 1 . . . . A 25 SER H . 34950 1 166 . 1 . 1 25 25 SER HA H 1 4.160051636 0.0106707125 . 1 . . . . A 25 SER HA . 34950 1 167 . 1 . 1 25 25 SER HB2 H 1 3.792787807 0.001306052844 . 2 . . . . A 25 SER HB2 . 34950 1 168 . 1 . 1 25 25 SER HB3 H 1 3.792787807 0.001306052844 . 2 . . . . A 25 SER HB3 . 34950 1 stop_ save_