data_25949 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25949 _Entry.Title ; Ex-4[1-27]/pl14a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-12 _Entry.Accession_date 2016-01-12 _Entry.Last_release_date 2016-05-23 _Entry.Original_release_date 2016-05-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Christina Schroeder . I. . . 25949 2 Joakim Swedberg . E. . . 25949 3 David Craik . J. . . 25949 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25949 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID GLP1-R . 25949 chimera . 25949 conotoxin . 25949 exendin . 25949 peptide . 25949 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25949 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 242 25949 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 1 . . 2016-05-23 . original BMRB . 25949 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NAW 'BMRB Entry Tracking System' 25949 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25949 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; GLP-1 and exendin-4 alpha-conotoxin pl14a chimeras as potent GLP-1R agonists ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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 Joakim Swedberg . E. . . 25949 1 2 Christina Schroeder . I. . . 25949 1 3 Justin Mitchell . . . . 25949 1 4 David Fairlie . P. . . 25949 1 5 David Price . A. . . 25949 1 6 Spiros Liras . . . . 25949 1 7 David Craik . J. . . 25949 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25949 _Assembly.ID 1 _Assembly.Name Ex-4[1-27]/pl14a _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 entity 1 $entity A . yes native no no . . . 25949 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25949 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; HGEGTFTSDLSKQMEEEAVR CFIECLKGIGHKYPFCHCR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 39 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4496.178 _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 1 HIS . 25949 1 2 2 GLY . 25949 1 3 3 GLU . 25949 1 4 4 GLY . 25949 1 5 5 THR . 25949 1 6 6 PHE . 25949 1 7 7 THR . 25949 1 8 8 SER . 25949 1 9 9 ASP . 25949 1 10 10 LEU . 25949 1 11 11 SER . 25949 1 12 12 LYS . 25949 1 13 13 GLN . 25949 1 14 14 MET . 25949 1 15 15 GLU . 25949 1 16 16 GLU . 25949 1 17 17 GLU . 25949 1 18 18 ALA . 25949 1 19 19 VAL . 25949 1 20 20 ARG . 25949 1 21 21 CYS . 25949 1 22 22 PHE . 25949 1 23 23 ILE . 25949 1 24 24 GLU . 25949 1 25 25 CYS . 25949 1 26 26 LEU . 25949 1 27 27 LYS . 25949 1 28 28 GLY . 25949 1 29 29 ILE . 25949 1 30 30 GLY . 25949 1 31 31 HIS . 25949 1 32 32 LYS . 25949 1 33 33 TYR . 25949 1 34 34 PRO . 25949 1 35 35 PHE . 25949 1 36 36 CYS . 25949 1 37 37 HIS . 25949 1 38 38 CYS . 25949 1 39 39 ARG . 25949 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 . HIS 1 1 25949 1 . GLY 2 2 25949 1 . GLU 3 3 25949 1 . GLY 4 4 25949 1 . THR 5 5 25949 1 . PHE 6 6 25949 1 . THR 7 7 25949 1 . SER 8 8 25949 1 . ASP 9 9 25949 1 . LEU 10 10 25949 1 . SER 11 11 25949 1 . LYS 12 12 25949 1 . GLN 13 13 25949 1 . MET 14 14 25949 1 . GLU 15 15 25949 1 . GLU 16 16 25949 1 . GLU 17 17 25949 1 . ALA 18 18 25949 1 . VAL 19 19 25949 1 . ARG 20 20 25949 1 . CYS 21 21 25949 1 . PHE 22 22 25949 1 . ILE 23 23 25949 1 . GLU 24 24 25949 1 . CYS 25 25 25949 1 . LEU 26 26 25949 1 . LYS 27 27 25949 1 . GLY 28 28 25949 1 . ILE 29 29 25949 1 . GLY 30 30 25949 1 . HIS 31 31 25949 1 . LYS 32 32 25949 1 . TYR 33 33 25949 1 . PRO 34 34 25949 1 . PHE 35 35 25949 1 . CYS 36 36 25949 1 . HIS 37 37 25949 1 . CYS 38 38 25949 1 . ARG 39 39 25949 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 25949 _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 . . 'multiple natural sources' . . . . . . . . . . . . . . . . . . . . . . 25949 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 25949 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 25949 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25949 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity 'natural abundance' . . 1 $entity . . 0.2 . . mM . . . . 25949 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25949 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25949 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 25949 _Sample_condition_list.ID 1 _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 3.6 . pH 25949 1 pressure 1 . atm 25949 1 temperature 298 . K 25949 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25949 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25949 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25949 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25949 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25949 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25949 2 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 25949 _Software.ID 3 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 25949 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25949 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25949 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25949 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25949 4 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25949 _Software.ID 5 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25949 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25949 5 'chemical shift calculation' 25949 5 'peak picking' 25949 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25949 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25949 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Bruker Avance . 600 . . . 25949 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 25949 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25949 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25949 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25949 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25949 _Chem_shift_reference.ID 1 _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 water protons . . . . ppm 4.76 internal indirect 1.0 . . . . . 25949 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25949 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 TOCSY' . . . 25949 1 2 '2D 1H-1H NOESY' . . . 25949 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 HIS HA H 1 4.290 0.015 . . . . . A 1 HIS HA . 25949 1 2 . 1 1 1 1 HIS HB2 H 1 3.314 0.009 . . . . . A 1 HIS HB2 . 25949 1 3 . 1 1 1 1 HIS HB3 H 1 3.314 0.009 . . . . . A 1 HIS HB3 . 25949 1 4 . 1 1 1 1 HIS HD2 H 1 7.349 0.001 . . . . . A 1 HIS HD2 . 25949 1 5 . 1 1 1 1 HIS HE1 H 1 8.578 0.000 . . . . . A 1 HIS HE1 . 25949 1 6 . 1 1 2 2 GLY H H 1 8.766 0.000 . . . . . A 2 GLY H . 25949 1 7 . 1 1 2 2 GLY HA2 H 1 3.945 0.005 . . . . . A 2 GLY HA2 . 25949 1 8 . 1 1 2 2 GLY HA3 H 1 3.945 0.005 . . . . . A 2 GLY HA3 . 25949 1 9 . 1 1 3 3 GLU H H 1 8.598 0.001 . . . . . A 3 GLU H . 25949 1 10 . 1 1 3 3 GLU HA H 1 4.299 0.005 . . . . . A 3 GLU HA . 25949 1 11 . 1 1 3 3 GLU HB2 H 1 1.906 0.003 . . . . . A 3 GLU HB2 . 25949 1 12 . 1 1 3 3 GLU HB3 H 1 2.032 0.002 . . . . . A 3 GLU HB3 . 25949 1 13 . 1 1 3 3 GLU HG2 H 1 2.366 0.002 . . . . . A 3 GLU HG2 . 25949 1 14 . 1 1 3 3 GLU HG3 H 1 2.366 0.002 . . . . . A 3 GLU HG3 . 25949 1 15 . 1 1 4 4 GLY H H 1 8.461 0.001 . . . . . A 4 GLY H . 25949 1 16 . 1 1 4 4 GLY HA2 H 1 3.878 0.002 . . . . . A 4 GLY HA2 . 25949 1 17 . 1 1 4 4 GLY HA3 H 1 3.878 0.002 . . . . . A 4 GLY HA3 . 25949 1 18 . 1 1 5 5 THR H H 1 7.920 0.000 . . . . . A 5 THR H . 25949 1 19 . 1 1 5 5 THR HA H 1 4.201 0.000 . . . . . A 5 THR HA . 25949 1 20 . 1 1 5 5 THR HB H 1 4.024 0.000 . . . . . A 5 THR HB . 25949 1 21 . 1 1 5 5 THR HG21 H 1 1.016 0.005 . . . . . A 5 THR HG21 . 25949 1 22 . 1 1 5 5 THR HG22 H 1 1.016 0.005 . . . . . A 5 THR HG22 . 25949 1 23 . 1 1 5 5 THR HG23 H 1 1.016 0.005 . . . . . A 5 THR HG23 . 25949 1 24 . 1 1 6 6 PHE H H 1 8.292 0.001 . . . . . A 6 PHE H . 25949 1 25 . 1 1 6 6 PHE HA H 1 4.626 0.000 . . . . . A 6 PHE HA . 25949 1 26 . 1 1 6 6 PHE HB2 H 1 2.952 0.004 . . . . . A 6 PHE HB2 . 25949 1 27 . 1 1 6 6 PHE HB3 H 1 3.075 0.008 . . . . . A 6 PHE HB3 . 25949 1 28 . 1 1 6 6 PHE HD1 H 1 7.156 0.003 . . . . . A 6 PHE HD1 . 25949 1 29 . 1 1 6 6 PHE HD2 H 1 7.156 0.003 . . . . . A 6 PHE HD2 . 25949 1 30 . 1 1 6 6 PHE HE1 H 1 7.235 0.002 . . . . . A 6 PHE HE1 . 25949 1 31 . 1 1 6 6 PHE HE2 H 1 7.235 0.002 . . . . . A 6 PHE HE2 . 25949 1 32 . 1 1 7 7 THR H H 1 8.000 0.001 . . . . . A 7 THR H . 25949 1 33 . 1 1 7 7 THR HA H 1 4.212 0.002 . . . . . A 7 THR HA . 25949 1 34 . 1 1 7 7 THR HB H 1 4.094 0.002 . . . . . A 7 THR HB . 25949 1 35 . 1 1 7 7 THR HG21 H 1 1.088 0.005 . . . . . A 7 THR HG21 . 25949 1 36 . 1 1 7 7 THR HG22 H 1 1.088 0.005 . . . . . A 7 THR HG22 . 25949 1 37 . 1 1 7 7 THR HG23 H 1 1.088 0.005 . . . . . A 7 THR HG23 . 25949 1 38 . 1 1 8 8 SER H H 1 8.230 0.005 . . . . . A 8 SER H . 25949 1 39 . 1 1 8 8 SER HA H 1 4.317 0.003 . . . . . A 8 SER HA . 25949 1 40 . 1 1 8 8 SER HB2 H 1 3.781 0.006 . . . . . A 8 SER HB2 . 25949 1 41 . 1 1 8 8 SER HB3 H 1 3.859 0.004 . . . . . A 8 SER HB3 . 25949 1 42 . 1 1 9 9 ASP H H 1 8.409 0.003 . . . . . A 9 ASP H . 25949 1 43 . 1 1 9 9 ASP HA H 1 4.541 0.006 . . . . . A 9 ASP HA . 25949 1 44 . 1 1 9 9 ASP HB2 H 1 2.667 0.009 . . . . . A 9 ASP HB2 . 25949 1 45 . 1 1 9 9 ASP HB3 H 1 2.724 0.009 . . . . . A 9 ASP HB3 . 25949 1 46 . 1 1 10 10 LEU H H 1 8.135 0.003 . . . . . A 10 LEU H . 25949 1 47 . 1 1 10 10 LEU HA H 1 4.173 0.007 . . . . . A 10 LEU HA . 25949 1 48 . 1 1 10 10 LEU HB2 H 1 1.550 0.003 . . . . . A 10 LEU HB2 . 25949 1 49 . 1 1 10 10 LEU HB3 H 1 1.550 0.003 . . . . . A 10 LEU HB3 . 25949 1 50 . 1 1 10 10 LEU HD11 H 1 0.825 0.004 . . . . . A 10 LEU HD11 . 25949 1 51 . 1 1 10 10 LEU HD12 H 1 0.825 0.004 . . . . . A 10 LEU HD12 . 25949 1 52 . 1 1 10 10 LEU HD13 H 1 0.825 0.004 . . . . . A 10 LEU HD13 . 25949 1 53 . 1 1 10 10 LEU HD21 H 1 0.774 0.002 . . . . . A 10 LEU HD21 . 25949 1 54 . 1 1 10 10 LEU HD22 H 1 0.774 0.002 . . . . . A 10 LEU HD22 . 25949 1 55 . 1 1 10 10 LEU HD23 H 1 0.774 0.002 . . . . . A 10 LEU HD23 . 25949 1 56 . 1 1 11 11 SER H H 1 8.137 0.005 . . . . . A 11 SER H . 25949 1 57 . 1 1 11 11 SER HA H 1 4.091 0.125 . . . . . A 11 SER HA . 25949 1 58 . 1 1 11 11 SER HB2 H 1 3.852 0.001 . . . . . A 11 SER HB2 . 25949 1 59 . 1 1 11 11 SER HB3 H 1 3.924 0.005 . . . . . A 11 SER HB3 . 25949 1 60 . 1 1 12 12 LYS H H 1 8.047 0.000 . . . . . A 12 LYS H . 25949 1 61 . 1 1 12 12 LYS HA H 1 4.038 0.007 . . . . . A 12 LYS HA . 25949 1 62 . 1 1 12 12 LYS HB2 H 1 1.767 0.007 . . . . . A 12 LYS HB2 . 25949 1 63 . 1 1 12 12 LYS HB3 H 1 1.767 0.007 . . . . . A 12 LYS HB3 . 25949 1 64 . 1 1 12 12 LYS HG2 H 1 1.307 0.002 . . . . . A 12 LYS HG2 . 25949 1 65 . 1 1 12 12 LYS HG3 H 1 1.409 0.004 . . . . . A 12 LYS HG3 . 25949 1 66 . 1 1 12 12 LYS HD2 H 1 1.594 0.001 . . . . . A 12 LYS HD2 . 25949 1 67 . 1 1 12 12 LYS HD3 H 1 1.594 0.001 . . . . . A 12 LYS HD3 . 25949 1 68 . 1 1 13 13 GLN H H 1 8.066 0.000 . . . . . A 13 GLN H . 25949 1 69 . 1 1 13 13 GLN HA H 1 4.009 0.002 . . . . . A 13 GLN HA . 25949 1 70 . 1 1 13 13 GLN HB2 H 1 2.007 0.001 . . . . . A 13 GLN HB2 . 25949 1 71 . 1 1 13 13 GLN HB3 H 1 2.007 0.001 . . . . . A 13 GLN HB3 . 25949 1 72 . 1 1 13 13 GLN HG2 H 1 2.231 0.000 . . . . . A 13 GLN HG2 . 25949 1 73 . 1 1 13 13 GLN HG3 H 1 2.312 0.000 . . . . . A 13 GLN HG3 . 25949 1 74 . 1 1 13 13 GLN HE21 H 1 6.688 0.002 . . . . . A 13 GLN HE21 . 25949 1 75 . 1 1 13 13 GLN HE22 H 1 7.310 0.000 . . . . . A 13 GLN HE22 . 25949 1 76 . 1 1 14 14 MET H H 1 8.135 0.001 . . . . . A 14 MET H . 25949 1 77 . 1 1 14 14 MET HA H 1 4.127 0.007 . . . . . A 14 MET HA . 25949 1 78 . 1 1 14 14 MET HB2 H 1 2.049 0.000 . . . . . A 14 MET HB2 . 25949 1 79 . 1 1 14 14 MET HB3 H 1 2.049 0.000 . . . . . A 14 MET HB3 . 25949 1 80 . 1 1 14 14 MET HG2 H 1 2.455 0.002 . . . . . A 14 MET HG2 . 25949 1 81 . 1 1 14 14 MET HG3 H 1 2.593 0.001 . . . . . A 14 MET HG3 . 25949 1 82 . 1 1 15 15 GLU H H 1 8.120 0.001 . . . . . A 15 GLU H . 25949 1 83 . 1 1 15 15 GLU HA H 1 4.102 0.002 . . . . . A 15 GLU HA . 25949 1 84 . 1 1 15 15 GLU HB2 H 1 2.070 0.005 . . . . . A 15 GLU HB2 . 25949 1 85 . 1 1 15 15 GLU HB3 H 1 2.070 0.005 . . . . . A 15 GLU HB3 . 25949 1 86 . 1 1 15 15 GLU HG2 H 1 2.377 0.003 . . . . . A 15 GLU HG2 . 25949 1 87 . 1 1 15 15 GLU HG3 H 1 2.454 0.000 . . . . . A 15 GLU HG3 . 25949 1 88 . 1 1 16 16 GLU H H 1 8.105 0.000 . . . . . A 16 GLU H . 25949 1 89 . 1 1 16 16 GLU HA H 1 4.012 0.004 . . . . . A 16 GLU HA . 25949 1 90 . 1 1 16 16 GLU HB2 H 1 2.076 0.002 . . . . . A 16 GLU HB2 . 25949 1 91 . 1 1 16 16 GLU HB3 H 1 2.076 0.002 . . . . . A 16 GLU HB3 . 25949 1 92 . 1 1 16 16 GLU HG2 H 1 2.344 0.000 . . . . . A 16 GLU HG2 . 25949 1 93 . 1 1 16 16 GLU HG3 H 1 2.456 0.003 . . . . . A 16 GLU HG3 . 25949 1 94 . 1 1 17 17 GLU H H 1 8.028 0.001 . . . . . A 17 GLU H . 25949 1 95 . 1 1 17 17 GLU HA H 1 3.945 0.006 . . . . . A 17 GLU HA . 25949 1 96 . 1 1 17 17 GLU HB2 H 1 1.975 0.000 . . . . . A 17 GLU HB2 . 25949 1 97 . 1 1 17 17 GLU HB3 H 1 2.097 0.004 . . . . . A 17 GLU HB3 . 25949 1 98 . 1 1 17 17 GLU HG2 H 1 2.387 0.003 . . . . . A 17 GLU HG2 . 25949 1 99 . 1 1 17 17 GLU HG3 H 1 2.387 0.003 . . . . . A 17 GLU HG3 . 25949 1 100 . 1 1 18 18 ALA H H 1 7.897 0.000 . . . . . A 18 ALA H . 25949 1 101 . 1 1 18 18 ALA HA H 1 4.105 0.006 . . . . . A 18 ALA HA . 25949 1 102 . 1 1 18 18 ALA HB1 H 1 1.443 0.003 . . . . . A 18 ALA HB1 . 25949 1 103 . 1 1 18 18 ALA HB2 H 1 1.443 0.003 . . . . . A 18 ALA HB2 . 25949 1 104 . 1 1 18 18 ALA HB3 H 1 1.443 0.003 . . . . . A 18 ALA HB3 . 25949 1 105 . 1 1 19 19 VAL H H 1 7.793 0.000 . . . . . A 19 VAL H . 25949 1 106 . 1 1 19 19 VAL HA H 1 3.783 0.003 . . . . . A 19 VAL HA . 25949 1 107 . 1 1 19 19 VAL HB H 1 2.075 0.004 . . . . . A 19 VAL HB . 25949 1 108 . 1 1 19 19 VAL HG11 H 1 0.973 0.002 . . . . . A 19 VAL HG11 . 25949 1 109 . 1 1 19 19 VAL HG12 H 1 0.973 0.002 . . . . . A 19 VAL HG12 . 25949 1 110 . 1 1 19 19 VAL HG13 H 1 0.973 0.002 . . . . . A 19 VAL HG13 . 25949 1 111 . 1 1 19 19 VAL HG21 H 1 0.895 0.003 . . . . . A 19 VAL HG21 . 25949 1 112 . 1 1 19 19 VAL HG22 H 1 0.895 0.003 . . . . . A 19 VAL HG22 . 25949 1 113 . 1 1 19 19 VAL HG23 H 1 0.895 0.003 . . . . . A 19 VAL HG23 . 25949 1 114 . 1 1 20 20 ARG H H 1 7.866 0.000 . . . . . A 20 ARG H . 25949 1 115 . 1 1 20 20 ARG HA H 1 4.064 0.005 . . . . . A 20 ARG HA . 25949 1 116 . 1 1 20 20 ARG HB2 H 1 1.778 0.009 . . . . . A 20 ARG HB2 . 25949 1 117 . 1 1 20 20 ARG HB3 H 1 1.850 0.002 . . . . . A 20 ARG HB3 . 25949 1 118 . 1 1 20 20 ARG HG2 H 1 1.531 0.002 . . . . . A 20 ARG HG2 . 25949 1 119 . 1 1 20 20 ARG HG3 H 1 1.672 0.009 . . . . . A 20 ARG HG3 . 25949 1 120 . 1 1 21 21 CYS H H 1 8.389 0.002 . . . . . A 21 CYS H . 25949 1 121 . 1 1 21 21 CYS HA H 1 4.481 0.004 . . . . . A 21 CYS HA . 25949 1 122 . 1 1 21 21 CYS HB2 H 1 2.994 0.006 . . . . . A 21 CYS HB2 . 25949 1 123 . 1 1 21 21 CYS HB3 H 1 2.994 0.006 . . . . . A 21 CYS HB3 . 25949 1 124 . 1 1 22 22 PHE H H 1 8.161 0.002 . . . . . A 22 PHE H . 25949 1 125 . 1 1 22 22 PHE HA H 1 4.131 0.000 . . . . . A 22 PHE HA . 25949 1 126 . 1 1 22 22 PHE HB2 H 1 3.228 0.000 . . . . . A 22 PHE HB2 . 25949 1 127 . 1 1 22 22 PHE HB3 H 1 3.228 0.000 . . . . . A 22 PHE HB3 . 25949 1 128 . 1 1 22 22 PHE HD1 H 1 7.185 0.001 . . . . . A 22 PHE HD1 . 25949 1 129 . 1 1 22 22 PHE HD2 H 1 7.185 0.001 . . . . . A 22 PHE HD2 . 25949 1 130 . 1 1 22 22 PHE HE1 H 1 7.286 0.000 . . . . . A 22 PHE HE1 . 25949 1 131 . 1 1 22 22 PHE HE2 H 1 7.286 0.000 . . . . . A 22 PHE HE2 . 25949 1 132 . 1 1 23 23 ILE H H 1 7.706 0.003 . . . . . A 23 ILE H . 25949 1 133 . 1 1 23 23 ILE HA H 1 3.614 0.005 . . . . . A 23 ILE HA . 25949 1 134 . 1 1 23 23 ILE HB H 1 1.947 0.007 . . . . . A 23 ILE HB . 25949 1 135 . 1 1 23 23 ILE HG12 H 1 1.682 0.009 . . . . . A 23 ILE HG12 . 25949 1 136 . 1 1 23 23 ILE HG13 H 1 1.682 0.009 . . . . . A 23 ILE HG13 . 25949 1 137 . 1 1 23 23 ILE HG21 H 1 1.282 0.005 . . . . . A 23 ILE HG21 . 25949 1 138 . 1 1 23 23 ILE HG22 H 1 1.282 0.005 . . . . . A 23 ILE HG22 . 25949 1 139 . 1 1 23 23 ILE HG23 H 1 1.282 0.005 . . . . . A 23 ILE HG23 . 25949 1 140 . 1 1 23 23 ILE HD11 H 1 0.840 0.008 . . . . . A 23 ILE HD11 . 25949 1 141 . 1 1 23 23 ILE HD12 H 1 0.840 0.008 . . . . . A 23 ILE HD12 . 25949 1 142 . 1 1 23 23 ILE HD13 H 1 0.840 0.008 . . . . . A 23 ILE HD13 . 25949 1 143 . 1 1 24 24 GLU H H 1 8.164 0.000 . . . . . A 24 GLU H . 25949 1 144 . 1 1 24 24 GLU HA H 1 3.910 0.001 . . . . . A 24 GLU HA . 25949 1 145 . 1 1 24 24 GLU HB2 H 1 1.724 0.003 . . . . . A 24 GLU HB2 . 25949 1 146 . 1 1 24 24 GLU HB3 H 1 1.724 0.003 . . . . . A 24 GLU HB3 . 25949 1 147 . 1 1 24 24 GLU HG2 H 1 2.068 0.004 . . . . . A 24 GLU HG2 . 25949 1 148 . 1 1 24 24 GLU HG3 H 1 2.181 0.004 . . . . . A 24 GLU HG3 . 25949 1 149 . 1 1 25 25 CYS H H 1 8.622 0.216 . . . . . A 25 CYS H . 25949 1 150 . 1 1 25 25 CYS HA H 1 4.332 0.000 . . . . . A 25 CYS HA . 25949 1 151 . 1 1 25 25 CYS HB2 H 1 2.900 0.000 . . . . . A 25 CYS HB2 . 25949 1 152 . 1 1 25 25 CYS HB3 H 1 3.070 0.000 . . . . . A 25 CYS HB3 . 25949 1 153 . 1 1 26 26 LEU H H 1 7.614 0.004 . . . . . A 26 LEU H . 25949 1 154 . 1 1 26 26 LEU HA H 1 4.017 0.009 . . . . . A 26 LEU HA . 25949 1 155 . 1 1 26 26 LEU HB2 H 1 1.506 0.004 . . . . . A 26 LEU HB2 . 25949 1 156 . 1 1 26 26 LEU HB3 H 1 1.506 0.004 . . . . . A 26 LEU HB3 . 25949 1 157 . 1 1 26 26 LEU HD11 H 1 0.701 0.004 . . . . . A 26 LEU HD11 . 25949 1 158 . 1 1 26 26 LEU HD12 H 1 0.701 0.004 . . . . . A 26 LEU HD12 . 25949 1 159 . 1 1 26 26 LEU HD13 H 1 0.701 0.004 . . . . . A 26 LEU HD13 . 25949 1 160 . 1 1 26 26 LEU HD21 H 1 0.701 0.004 . . . . . A 26 LEU HD21 . 25949 1 161 . 1 1 26 26 LEU HD22 H 1 0.701 0.004 . . . . . A 26 LEU HD22 . 25949 1 162 . 1 1 26 26 LEU HD23 H 1 0.701 0.004 . . . . . A 26 LEU HD23 . 25949 1 163 . 1 1 27 27 LYS H H 1 7.724 0.000 . . . . . A 27 LYS H . 25949 1 164 . 1 1 27 27 LYS HA H 1 4.204 0.005 . . . . . A 27 LYS HA . 25949 1 165 . 1 1 27 27 LYS HB2 H 1 1.793 0.000 . . . . . A 27 LYS HB2 . 25949 1 166 . 1 1 27 27 LYS HB3 H 1 1.858 0.000 . . . . . A 27 LYS HB3 . 25949 1 167 . 1 1 27 27 LYS HG2 H 1 1.356 0.000 . . . . . A 27 LYS HG2 . 25949 1 168 . 1 1 27 27 LYS HG3 H 1 1.506 0.000 . . . . . A 27 LYS HG3 . 25949 1 169 . 1 1 27 27 LYS HD2 H 1 1.549 0.002 . . . . . A 27 LYS HD2 . 25949 1 170 . 1 1 27 27 LYS HD3 H 1 1.549 0.002 . . . . . A 27 LYS HD3 . 25949 1 171 . 1 1 28 28 GLY H H 1 7.738 0.001 . . . . . A 28 GLY H . 25949 1 172 . 1 1 28 28 GLY HA2 H 1 4.026 0.004 . . . . . A 28 GLY HA2 . 25949 1 173 . 1 1 28 28 GLY HA3 H 1 3.886 0.004 . . . . . A 28 GLY HA3 . 25949 1 174 . 1 1 29 29 ILE H H 1 7.665 0.000 . . . . . A 29 ILE H . 25949 1 175 . 1 1 29 29 ILE HA H 1 4.284 0.000 . . . . . A 29 ILE HA . 25949 1 176 . 1 1 29 29 ILE HB H 1 1.879 0.006 . . . . . A 29 ILE HB . 25949 1 177 . 1 1 29 29 ILE HG12 H 1 1.337 0.006 . . . . . A 29 ILE HG12 . 25949 1 178 . 1 1 29 29 ILE HG13 H 1 1.337 0.006 . . . . . A 29 ILE HG13 . 25949 1 179 . 1 1 29 29 ILE HG21 H 1 1.049 0.005 . . . . . A 29 ILE HG21 . 25949 1 180 . 1 1 29 29 ILE HG22 H 1 1.049 0.005 . . . . . A 29 ILE HG22 . 25949 1 181 . 1 1 29 29 ILE HG23 H 1 1.049 0.005 . . . . . A 29 ILE HG23 . 25949 1 182 . 1 1 29 29 ILE HD11 H 1 0.816 0.005 . . . . . A 29 ILE HD11 . 25949 1 183 . 1 1 29 29 ILE HD12 H 1 0.816 0.005 . . . . . A 29 ILE HD12 . 25949 1 184 . 1 1 29 29 ILE HD13 H 1 0.816 0.005 . . . . . A 29 ILE HD13 . 25949 1 185 . 1 1 30 30 GLY H H 1 8.354 0.001 . . . . . A 30 GLY H . 25949 1 186 . 1 1 30 30 GLY HA2 H 1 3.784 0.009 . . . . . A 30 GLY HA2 . 25949 1 187 . 1 1 30 30 GLY HA3 H 1 3.607 0.010 . . . . . A 30 GLY HA3 . 25949 1 188 . 1 1 31 31 HIS H H 1 8.236 0.002 . . . . . A 31 HIS H . 25949 1 189 . 1 1 31 31 HIS HA H 1 4.397 0.005 . . . . . A 31 HIS HA . 25949 1 190 . 1 1 31 31 HIS HB2 H 1 3.006 0.003 . . . . . A 31 HIS HB2 . 25949 1 191 . 1 1 31 31 HIS HB3 H 1 3.006 0.003 . . . . . A 31 HIS HB3 . 25949 1 192 . 1 1 31 31 HIS HD2 H 1 7.013 0.004 . . . . . A 31 HIS HD2 . 25949 1 193 . 1 1 31 31 HIS HE1 H 1 8.461 0.002 . . . . . A 31 HIS HE1 . 25949 1 194 . 1 1 32 32 LYS H H 1 7.900 0.000 . . . . . A 32 LYS H . 25949 1 195 . 1 1 32 32 LYS HA H 1 3.947 0.006 . . . . . A 32 LYS HA . 25949 1 196 . 1 1 32 32 LYS HB2 H 1 1.351 0.000 . . . . . A 32 LYS HB2 . 25949 1 197 . 1 1 32 32 LYS HB3 H 1 1.435 0.000 . . . . . A 32 LYS HB3 . 25949 1 198 . 1 1 32 32 LYS HG2 H 1 0.938 0.000 . . . . . A 32 LYS HG2 . 25949 1 199 . 1 1 32 32 LYS HG3 H 1 1.045 0.000 . . . . . A 32 LYS HG3 . 25949 1 200 . 1 1 33 33 TYR H H 1 7.750 0.003 . . . . . A 33 TYR H . 25949 1 201 . 1 1 33 33 TYR HA H 1 4.602 0.004 . . . . . A 33 TYR HA . 25949 1 202 . 1 1 33 33 TYR HB2 H 1 2.256 0.005 . . . . . A 33 TYR HB2 . 25949 1 203 . 1 1 33 33 TYR HB3 H 1 2.353 0.000 . . . . . A 33 TYR HB3 . 25949 1 204 . 1 1 33 33 TYR HD1 H 1 6.974 0.000 . . . . . A 33 TYR HD1 . 25949 1 205 . 1 1 33 33 TYR HD2 H 1 6.974 0.000 . . . . . A 33 TYR HD2 . 25949 1 206 . 1 1 33 33 TYR HE1 H 1 6.687 0.000 . . . . . A 33 TYR HE1 . 25949 1 207 . 1 1 33 33 TYR HE2 H 1 6.687 0.000 . . . . . A 33 TYR HE2 . 25949 1 208 . 1 1 34 34 PRO HA H 1 4.142 0.004 . . . . . A 34 PRO HA . 25949 1 209 . 1 1 34 34 PRO HB2 H 1 2.117 0.000 . . . . . A 34 PRO HB2 . 25949 1 210 . 1 1 34 34 PRO HB3 H 1 1.725 0.002 . . . . . A 34 PRO HB3 . 25949 1 211 . 1 1 34 34 PRO HG2 H 1 1.832 0.001 . . . . . A 34 PRO HG2 . 25949 1 212 . 1 1 34 34 PRO HG3 H 1 1.882 0.000 . . . . . A 34 PRO HG3 . 25949 1 213 . 1 1 34 34 PRO HD2 H 1 3.547 0.000 . . . . . A 34 PRO HD2 . 25949 1 214 . 1 1 34 34 PRO HD3 H 1 3.547 0.000 . . . . . A 34 PRO HD3 . 25949 1 215 . 1 1 35 35 PHE H H 1 6.871 0.001 . . . . . A 35 PHE H . 25949 1 216 . 1 1 35 35 PHE HA H 1 4.404 0.001 . . . . . A 35 PHE HA . 25949 1 217 . 1 1 35 35 PHE HB2 H 1 3.022 0.000 . . . . . A 35 PHE HB2 . 25949 1 218 . 1 1 35 35 PHE HB3 H 1 3.165 0.003 . . . . . A 35 PHE HB3 . 25949 1 219 . 1 1 35 35 PHE HD1 H 1 7.080 0.000 . . . . . A 35 PHE HD1 . 25949 1 220 . 1 1 35 35 PHE HD2 H 1 7.080 0.000 . . . . . A 35 PHE HD2 . 25949 1 221 . 1 1 35 35 PHE HE1 H 1 7.258 0.002 . . . . . A 35 PHE HE1 . 25949 1 222 . 1 1 35 35 PHE HE2 H 1 7.258 0.002 . . . . . A 35 PHE HE2 . 25949 1 223 . 1 1 36 36 CYS H H 1 7.429 0.000 . . . . . A 36 CYS H . 25949 1 224 . 1 1 36 36 CYS HA H 1 4.768 0.004 . . . . . A 36 CYS HA . 25949 1 225 . 1 1 36 36 CYS HB2 H 1 2.717 0.000 . . . . . A 36 CYS HB2 . 25949 1 226 . 1 1 36 36 CYS HB3 H 1 2.800 0.001 . . . . . A 36 CYS HB3 . 25949 1 227 . 1 1 37 37 HIS H H 1 8.640 0.001 . . . . . A 37 HIS H . 25949 1 228 . 1 1 37 37 HIS HA H 1 4.620 0.003 . . . . . A 37 HIS HA . 25949 1 229 . 1 1 37 37 HIS HB2 H 1 3.124 0.005 . . . . . A 37 HIS HB2 . 25949 1 230 . 1 1 37 37 HIS HB3 H 1 3.124 0.005 . . . . . A 37 HIS HB3 . 25949 1 231 . 1 1 37 37 HIS HD2 H 1 7.162 0.003 . . . . . A 37 HIS HD2 . 25949 1 232 . 1 1 37 37 HIS HE1 H 1 8.515 0.000 . . . . . A 37 HIS HE1 . 25949 1 233 . 1 1 38 38 CYS H H 1 8.544 0.002 . . . . . A 38 CYS H . 25949 1 234 . 1 1 38 38 CYS HA H 1 4.651 0.000 . . . . . A 38 CYS HA . 25949 1 235 . 1 1 38 38 CYS HB2 H 1 2.646 0.002 . . . . . A 38 CYS HB2 . 25949 1 236 . 1 1 38 38 CYS HB3 H 1 3.220 0.005 . . . . . A 38 CYS HB3 . 25949 1 237 . 1 1 39 39 ARG H H 1 8.690 0.001 . . . . . A 39 ARG H . 25949 1 238 . 1 1 39 39 ARG HA H 1 4.212 0.001 . . . . . A 39 ARG HA . 25949 1 239 . 1 1 39 39 ARG HB2 H 1 1.716 0.000 . . . . . A 39 ARG HB2 . 25949 1 240 . 1 1 39 39 ARG HB3 H 1 1.764 0.007 . . . . . A 39 ARG HB3 . 25949 1 241 . 1 1 39 39 ARG HG2 H 1 1.575 0.001 . . . . . A 39 ARG HG2 . 25949 1 242 . 1 1 39 39 ARG HG3 H 1 1.613 0.000 . . . . . A 39 ARG HG3 . 25949 1 stop_ save_