data_410 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 410 _Entry.Title ; Two-dimensional 1H NMR spectroscopy of two chemically modified analogs of the basic pancreatic trypsin inhibitor Sequence-specific resonance assignments and sequence location of conformation changes relative to the native protein ; _Entry.Type . _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Chariclia Stassinopoulou . I. . 410 2 Gerhard Wagner . . . 410 3 Kurt Wuthrich . . . 410 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 410 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 59 410 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 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 410 2 . . 1996-04-12 . revision BMRB 'Error corrected in abrreviations given to non-polymers' 410 3 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 410 4 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 410 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 410 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Stassinopoulou, Chariclia I., Wagner, Gerhard, Wuthrich, Kurt, "Two-dimensional 1H NMR spectroscopy of two chemically modified analogs of the basic pancreatic trypsin inhibitor Sequence-specific resonance assignments and sequence location of conformation changes relative to the native protein," Eur. J. Biochem. 145, 423-430 (1984). ; _Citation.Title ; Two-dimensional 1H NMR spectroscopy of two chemically modified analogs of the basic pancreatic trypsin inhibitor Sequence-specific resonance assignments and sequence location of conformation changes relative to the native protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 145 _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 423 _Citation.Page_last 430 _Citation.Year 1984 _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.Entry_ID _Citation_author.Citation_ID 1 Chariclia Stassinopoulou . I. . 410 1 2 Gerhard Wagner . . . 410 1 3 Kurt Wuthrich . . . 410 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_basic_pancreatic_trypsin_inhibitor _Assembly.Sf_category assembly _Assembly.Sf_framecode system_basic_pancreatic_trypsin_inhibitor _Assembly.Entry_ID 410 _Assembly.ID 1 _Assembly.Name 'basic pancreatic trypsin inhibitor' _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 . _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 'basic pancreatic trypsin inhibitor' 1 $basic_pancreatic_trypsin_inhibitor . . . . . . . . . 410 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'basic pancreatic trypsin inhibitor' system 410 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_basic_pancreatic_trypsin_inhibitor _Entity.Sf_category entity _Entity.Sf_framecode basic_pancreatic_trypsin_inhibitor _Entity.Entry_ID 410 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'basic pancreatic trypsin inhibitor' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XXXXCLEXXXXXXXXXXXXX XXYNXXXXXXXTXXXXXXXA XXXXXXXXEDCXRTCXXA ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-05-15 _Entity.DB_query_revised_last_date 2001-05-09 loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'basic pancreatic trypsin inhibitor' common 410 1 'transaminated at R1 (TRAM-BPTI)' variant 410 1 stop_ 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 . aKeto_R . 410 1 2 . X . 410 1 3 . X . 410 1 4 . X . 410 1 5 . CYS . 410 1 6 . LEU . 410 1 7 . GLU . 410 1 8 . X . 410 1 9 . X . 410 1 10 . X . 410 1 11 . X . 410 1 12 . X . 410 1 13 . X . 410 1 14 . X . 410 1 15 . X . 410 1 16 . X . 410 1 17 . X . 410 1 18 . X . 410 1 19 . X . 410 1 20 . X . 410 1 21 . X . 410 1 22 . X . 410 1 23 . TYR . 410 1 24 . ASN . 410 1 25 . X . 410 1 26 . X . 410 1 27 . X . 410 1 28 . X . 410 1 29 . X . 410 1 30 . X . 410 1 31 . X . 410 1 32 . THR . 410 1 33 . X . 410 1 34 . X . 410 1 35 . X . 410 1 36 . X . 410 1 37 . X . 410 1 38 . X . 410 1 39 . X . 410 1 40 . ALA . 410 1 41 . X . 410 1 42 . X . 410 1 43 . X . 410 1 44 . X . 410 1 45 . X . 410 1 46 . X . 410 1 47 . X . 410 1 48 . X . 410 1 49 . GLU . 410 1 50 . ASP . 410 1 51 . CYS . 410 1 52 . X . 410 1 53 . ARG . 410 1 54 . THR . 410 1 55 . CYS . 410 1 56 . X . 410 1 57 . X . 410 1 58 . ALA . 410 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 . aKeto_R 1 1 410 1 . X 2 2 410 1 . X 3 3 410 1 . X 4 4 410 1 . CYS 5 5 410 1 . LEU 6 6 410 1 . GLU 7 7 410 1 . X 8 8 410 1 . X 9 9 410 1 . X 10 10 410 1 . X 11 11 410 1 . X 12 12 410 1 . X 13 13 410 1 . X 14 14 410 1 . X 15 15 410 1 . X 16 16 410 1 . X 17 17 410 1 . X 18 18 410 1 . X 19 19 410 1 . X 20 20 410 1 . X 21 21 410 1 . X 22 22 410 1 . TYR 23 23 410 1 . ASN 24 24 410 1 . X 25 25 410 1 . X 26 26 410 1 . X 27 27 410 1 . X 28 28 410 1 . X 29 29 410 1 . X 30 30 410 1 . X 31 31 410 1 . THR 32 32 410 1 . X 33 33 410 1 . X 34 34 410 1 . X 35 35 410 1 . X 36 36 410 1 . X 37 37 410 1 . X 38 38 410 1 . X 39 39 410 1 . ALA 40 40 410 1 . X 41 41 410 1 . X 42 42 410 1 . X 43 43 410 1 . X 44 44 410 1 . X 45 45 410 1 . X 46 46 410 1 . X 47 47 410 1 . X 48 48 410 1 . GLU 49 49 410 1 . ASP 50 50 410 1 . CYS 51 51 410 1 . X 52 52 410 1 . ARG 53 53 410 1 . THR 54 54 410 1 . CYS 55 55 410 1 . X 56 56 410 1 . X 57 57 410 1 . ALA 58 58 410 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 410 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $basic_pancreatic_trypsin_inhibitor . . . . 'Bos primigenius' cow . . . . Bos primigenius generic . . . pancreas . . . . . . . . . . . . . . . . 410 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 410 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $basic_pancreatic_trypsin_inhibitor . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 410 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_aKeto_R _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode aKeto_R _Chem_comp.Entry_ID 410 _Chem_comp.ID aKeto_R _Chem_comp.Provenance . _Chem_comp.Name alpha-keto-arginine _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula . _Chem_comp.Formula_weight . _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID alpha-keto-arginine common 410 aKeto_R aKeto_R abbreviation 410 aKeto_R stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 410 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 410 _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 4.6 . n/a 410 1 temperature 341 . K 410 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 410 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer . _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength . save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 410 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 410 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . TSP . . . . . ppm 0 . . . . . . . . . . . . 410 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 410 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 410 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 5 5 CYS H H 1 7.34 0.02 . 1 . . . . . . . . 410 1 2 . 1 1 5 5 CYS HA H 1 4.42 0.02 . 1 . . . . . . . . 410 1 3 . 1 1 5 5 CYS HB2 H 1 2.85 0.02 . 2 . . . . . . . . 410 1 4 . 1 1 5 5 CYS HB3 H 1 2.72 0.02 . 2 . . . . . . . . 410 1 5 . 1 1 6 6 LEU HA H 1 4.49 0.02 . 1 . . . . . . . . 410 1 6 . 1 1 6 6 LEU HB2 H 1 1.85 0.02 . 1 . . . . . . . . 410 1 7 . 1 1 6 6 LEU HB3 H 1 1.85 0.02 . 1 . . . . . . . . 410 1 8 . 1 1 7 7 GLU H H 1 7.48 0.02 . 1 . . . . . . . . 410 1 9 . 1 1 7 7 GLU HA H 1 4.6 0.02 . 1 . . . . . . . . 410 1 10 . 1 1 7 7 GLU HB2 H 1 2.38 0.02 . 2 . . . . . . . . 410 1 11 . 1 1 7 7 GLU HB3 H 1 2.21 0.02 . 2 . . . . . . . . 410 1 12 . 1 1 23 23 TYR H H 1 10.5 0.02 . 1 . . . . . . . . 410 1 13 . 1 1 23 23 TYR HA H 1 4.36 0.02 . 1 . . . . . . . . 410 1 14 . 1 1 23 23 TYR HB2 H 1 3.49 0.02 . 2 . . . . . . . . 410 1 15 . 1 1 23 23 TYR HB3 H 1 2.85 0.02 . 2 . . . . . . . . 410 1 16 . 1 1 23 23 TYR HD1 H 1 7.2 0.02 . 1 . . . . . . . . 410 1 17 . 1 1 23 23 TYR HD2 H 1 7.2 0.02 . 1 . . . . . . . . 410 1 18 . 1 1 23 23 TYR HE1 H 1 6.44 0.02 . 3 . . . . . . . . 410 1 19 . 1 1 23 23 TYR HE2 H 1 6.37 0.02 . 3 . . . . . . . . 410 1 20 . 1 1 24 24 ASN H H 1 7.79 0.02 . 1 . . . . . . . . 410 1 21 . 1 1 24 24 ASN HA H 1 4.66 0.02 . 1 . . . . . . . . 410 1 22 . 1 1 24 24 ASN HB2 H 1 2.2 0.02 . 2 . . . . . . . . 410 1 23 . 1 1 24 24 ASN HB3 H 1 2.93 0.02 . 2 . . . . . . . . 410 1 24 . 1 1 24 24 ASN HD21 H 1 7.74 0.02 . 2 . . . . . . . . 410 1 25 . 1 1 24 24 ASN HD22 H 1 6.96 0.02 . 2 . . . . . . . . 410 1 26 . 1 1 32 32 THR H H 1 7.93 0.02 . 1 . . . . . . . . 410 1 27 . 1 1 32 32 THR HA H 1 5.32 0.02 . 1 . . . . . . . . 410 1 28 . 1 1 32 32 THR HB H 1 4.05 0.02 . 1 . . . . . . . . 410 1 29 . 1 1 32 32 THR HG21 H 1 .64 0.02 . 1 . . . . . . . . 410 1 30 . 1 1 32 32 THR HG22 H 1 .64 0.02 . 1 . . . . . . . . 410 1 31 . 1 1 32 32 THR HG23 H 1 .64 0.02 . 1 . . . . . . . . 410 1 32 . 1 1 40 40 ALA H H 1 7.36 0.02 . 1 . . . . . . . . 410 1 33 . 1 1 40 40 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . 410 1 34 . 1 1 40 40 ALA HB1 H 1 1.27 0.02 . 1 . . . . . . . . 410 1 35 . 1 1 40 40 ALA HB2 H 1 1.27 0.02 . 1 . . . . . . . . 410 1 36 . 1 1 40 40 ALA HB3 H 1 1.27 0.02 . 1 . . . . . . . . 410 1 37 . 1 1 49 49 GLU H H 1 8.51 0.02 . 1 . . . . . . . . 410 1 38 . 1 1 49 49 GLU HA H 1 3.9 0.02 . 1 . . . . . . . . 410 1 39 . 1 1 49 49 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 410 1 40 . 1 1 49 49 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 410 1 41 . 1 1 49 49 GLU HG2 H 1 2.38 0.02 . 2 . . . . . . . . 410 1 42 . 1 1 49 49 GLU HG3 H 1 2.27 0.02 . 2 . . . . . . . . 410 1 43 . 1 1 50 50 ASP H H 1 7.7 0.02 . 1 . . . . . . . . 410 1 44 . 1 1 50 50 ASP HA H 1 4.3 0.02 . 1 . . . . . . . . 410 1 45 . 1 1 50 50 ASP HB2 H 1 2.88 0.02 . 2 . . . . . . . . 410 1 46 . 1 1 50 50 ASP HB3 H 1 2.75 0.02 . 2 . . . . . . . . 410 1 47 . 1 1 51 51 CYS H H 1 6.9 0.02 . 1 . . . . . . . . 410 1 48 . 1 1 51 51 CYS HA H 1 1.8 0.02 . 1 . . . . . . . . 410 1 49 . 1 1 51 51 CYS HB2 H 1 3.23 0.02 . 2 . . . . . . . . 410 1 50 . 1 1 51 51 CYS HB3 H 1 2.9 0.02 . 2 . . . . . . . . 410 1 51 . 1 1 53 53 ARG H H 1 8.18 0.02 . 1 . . . . . . . . 410 1 52 . 1 1 53 53 ARG HA H 1 4.04 0.02 . 1 . . . . . . . . 410 1 53 . 1 1 53 53 ARG HB2 H 1 1.91 0.02 . 1 . . . . . . . . 410 1 54 . 1 1 53 53 ARG HB3 H 1 1.91 0.02 . 1 . . . . . . . . 410 1 55 . 1 1 54 54 THR H H 1 7.35 0.02 . 1 . . . . . . . . 410 1 56 . 1 1 54 54 THR HA H 1 4.1 0.02 . 1 . . . . . . . . 410 1 57 . 1 1 54 54 THR HB H 1 4.03 0.02 . 1 . . . . . . . . 410 1 58 . 1 1 55 55 CYS HB2 H 1 2.15 0.02 . 2 . . . . . . . . 410 1 59 . 1 1 55 55 CYS HB3 H 1 1.99 0.02 . 2 . . . . . . . . 410 1 stop_ save_