data_17733 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17733 _Entry.Title ; Solution structure of (R7G)-Crp4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-26 _Entry.Accession_date 2011-06-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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.Entry_ID 1 'K. Johan' Rosengren . . . 17733 2 Hakan Andersson . S. . 17733 3 Linda Haugaard-Kedstrom . M. . 17733 4 Elina Bengtsson . . . 17733 5 Norelle Daly . L. . 17733 6 Sharel Figueredo . M. . 17733 7 Xiaoqing Qu . . . 17733 8 David Craik . J. . 17733 9 Andre Ouellette . J. . 17733 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' . 17733 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID cryptdin-4 . 17733 peptide . 17733 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17733 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 188 17733 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 . . 2013-03-27 2011-06-26 update BMRB 'update entry citation' 17733 1 . . 2012-05-09 2011-06-26 original author 'original release' 17733 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2GW9 Cryptdin-4 17733 PDB 2GWP (E15G)-Crp4 17733 PDB 2LEY 'BMRB Entry Tracking System' 17733 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17733 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22286872 _Citation.Full_citation . _Citation.Title 'The -defensin salt-bridge induces backbone stability to facilitate folding and confer proteolytic resistance.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Amino Acids' _Citation.Journal_name_full 'Amino acids' _Citation.Journal_volume 43 _Citation.Journal_issue 4 _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 1471 _Citation.Page_last 1483 _Citation.Year 2012 _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 Hakan Andersson . S. . 17733 1 2 Sharel Figueredo . M. . 17733 1 3 Linda Haugaard-Kedstrom . M. . 17733 1 4 Elina Bengtsson . . . 17733 1 5 Norelle Daly . L. . 17733 1 6 Xiaoqing Qu . . . 17733 1 7 David Craik . J. . 17733 1 8 Andre Ouellette . J. . 17733 1 9 'K. Johan' Rosengren . . . 17733 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17733 _Assembly.ID 1 _Assembly.Name (R7G)-Crp4 _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 (R7G)-Crp4 1 $(R7G)-Crp4 A . yes native no no . . . 17733 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_(R7G)-Crp4 _Entity.Sf_category entity _Entity.Sf_framecode (R7G)-Crp4 _Entity.Entry_ID 17733 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name (R7G)-Crp4 _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 ; GLLCYCGKGHCKRGERVRGT CGIRFLYCCPRR ; _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 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3671.471 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2LEY . "Solution Structure Of (r7g)-crp4" . . . . . 100.00 32 100.00 100.00 3.10e-12 . . . . 17733 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 . GLY . 17733 1 2 . LEU . 17733 1 3 . LEU . 17733 1 4 . CYS . 17733 1 5 . TYR . 17733 1 6 . CYS . 17733 1 7 . GLY . 17733 1 8 . LYS . 17733 1 9 . GLY . 17733 1 10 . HIS . 17733 1 11 . CYS . 17733 1 12 . LYS . 17733 1 13 . ARG . 17733 1 14 . GLY . 17733 1 15 . GLU . 17733 1 16 . ARG . 17733 1 17 . VAL . 17733 1 18 . ARG . 17733 1 19 . GLY . 17733 1 20 . THR . 17733 1 21 . CYS . 17733 1 22 . GLY . 17733 1 23 . ILE . 17733 1 24 . ARG . 17733 1 25 . PHE . 17733 1 26 . LEU . 17733 1 27 . TYR . 17733 1 28 . CYS . 17733 1 29 . CYS . 17733 1 30 . PRO . 17733 1 31 . ARG . 17733 1 32 . ARG . 17733 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 . GLY 1 1 17733 1 . LEU 2 2 17733 1 . LEU 3 3 17733 1 . CYS 4 4 17733 1 . TYR 5 5 17733 1 . CYS 6 6 17733 1 . GLY 7 7 17733 1 . LYS 8 8 17733 1 . GLY 9 9 17733 1 . HIS 10 10 17733 1 . CYS 11 11 17733 1 . LYS 12 12 17733 1 . ARG 13 13 17733 1 . GLY 14 14 17733 1 . GLU 15 15 17733 1 . ARG 16 16 17733 1 . VAL 17 17 17733 1 . ARG 18 18 17733 1 . GLY 19 19 17733 1 . THR 20 20 17733 1 . CYS 21 21 17733 1 . GLY 22 22 17733 1 . ILE 23 23 17733 1 . ARG 24 24 17733 1 . PHE 25 25 17733 1 . LEU 26 26 17733 1 . TYR 27 27 17733 1 . CYS 28 28 17733 1 . CYS 29 29 17733 1 . PRO 30 30 17733 1 . ARG 31 31 17733 1 . ARG 32 32 17733 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 17733 _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 $(R7G)-Crp4 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17733 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 17733 _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 $(R7G)-Crp4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 17733 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17733 _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 (R7G)-Crp4 'natural abundance' . . 1 $(R7G)-Crp4 . . 1 . . mg . . . . 17733 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17733 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17733 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 17733 _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 . pH 17733 1 temperature 298 . K 17733 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17733 _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' . . 17733 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17733 1 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 17733 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17733 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17733 _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 . . . 17733 1 2 spectrometer_2 Bruker Avance . 500 . . . 17733 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 17733 _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 . . . . . . . . . . . . . . . . . . . . . 17733 1 2 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17733 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17733 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 17733 _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 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 17733 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 17733 _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' . . . 17733 1 2 '2D DQF-COSY' . . . 17733 1 3 '2D 1H-1H NOESY' . . . 17733 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 2 2 LEU HA H 1 4.269 0 . . . . . A 2 LEU HA . 17733 1 2 . 1 1 3 3 LEU H H 1 8.21 0 . . . . . A 3 LEU H . 17733 1 3 . 1 1 3 3 LEU HA H 1 4.347 0 . . . . . A 3 LEU HA . 17733 1 4 . 1 1 3 3 LEU HB2 H 1 1.55 0.004 . . . . . A 3 LEU HB2 . 17733 1 5 . 1 1 3 3 LEU HB3 H 1 1.55 0.004 . . . . . A 3 LEU HB3 . 17733 1 6 . 1 1 3 3 LEU HD11 H 1 0.768 0 . . . . . A 3 LEU HD11 . 17733 1 7 . 1 1 3 3 LEU HD12 H 1 0.768 0 . . . . . A 3 LEU HD12 . 17733 1 8 . 1 1 3 3 LEU HD13 H 1 0.768 0 . . . . . A 3 LEU HD13 . 17733 1 9 . 1 1 3 3 LEU HD21 H 1 0.768 0 . . . . . A 3 LEU HD21 . 17733 1 10 . 1 1 3 3 LEU HD22 H 1 0.768 0 . . . . . A 3 LEU HD22 . 17733 1 11 . 1 1 3 3 LEU HD23 H 1 0.768 0 . . . . . A 3 LEU HD23 . 17733 1 12 . 1 1 4 4 CYS H H 1 8.049 0 . . . . . A 4 CYS H . 17733 1 13 . 1 1 4 4 CYS HA H 1 5.156 0 . . . . . A 4 CYS HA . 17733 1 14 . 1 1 4 4 CYS HB2 H 1 2.907 0 . . . . . A 4 CYS HB2 . 17733 1 15 . 1 1 4 4 CYS HB3 H 1 1.753 0 . . . . . A 4 CYS HB3 . 17733 1 16 . 1 1 5 5 TYR H H 1 8.699 0 . . . . . A 5 TYR H . 17733 1 17 . 1 1 5 5 TYR HA H 1 4.778 0 . . . . . A 5 TYR HA . 17733 1 18 . 1 1 5 5 TYR HB2 H 1 2.777 0 . . . . . A 5 TYR HB2 . 17733 1 19 . 1 1 5 5 TYR HB3 H 1 2.777 0 . . . . . A 5 TYR HB3 . 17733 1 20 . 1 1 5 5 TYR HD1 H 1 6.756 0 . . . . . A 5 TYR HD1 . 17733 1 21 . 1 1 5 5 TYR HD2 H 1 6.756 0 . . . . . A 5 TYR HD2 . 17733 1 22 . 1 1 5 5 TYR HE1 H 1 6.676 0 . . . . . A 5 TYR HE1 . 17733 1 23 . 1 1 5 5 TYR HE2 H 1 6.676 0 . . . . . A 5 TYR HE2 . 17733 1 24 . 1 1 6 6 CYS H H 1 8.782 0 . . . . . A 6 CYS H . 17733 1 25 . 1 1 6 6 CYS HA H 1 5.278 0 . . . . . A 6 CYS HA . 17733 1 26 . 1 1 6 6 CYS HB2 H 1 2.87 0 . . . . . A 6 CYS HB2 . 17733 1 27 . 1 1 6 6 CYS HB3 H 1 2.686 0 . . . . . A 6 CYS HB3 . 17733 1 28 . 1 1 7 7 GLY H H 1 9.587 0 . . . . . A 7 GLY H . 17733 1 29 . 1 1 7 7 GLY HA2 H 1 4.534 0 . . . . . A 7 GLY HA2 . 17733 1 30 . 1 1 7 7 GLY HA3 H 1 3.588 0 . . . . . A 7 GLY HA3 . 17733 1 31 . 1 1 8 8 LYS H H 1 8.489 0 . . . . . A 8 LYS H . 17733 1 32 . 1 1 8 8 LYS HA H 1 3.859 0.001 . . . . . A 8 LYS HA . 17733 1 33 . 1 1 8 8 LYS HB2 H 1 1.609 0.006 . . . . . A 8 LYS HB2 . 17733 1 34 . 1 1 8 8 LYS HB3 H 1 1.609 0.006 . . . . . A 8 LYS HB3 . 17733 1 35 . 1 1 8 8 LYS HG2 H 1 0.946 0.004 . . . . . A 8 LYS HG2 . 17733 1 36 . 1 1 8 8 LYS HG3 H 1 0.946 0.004 . . . . . A 8 LYS HG3 . 17733 1 37 . 1 1 8 8 LYS HD2 H 1 1.427 0 . . . . . A 8 LYS HD2 . 17733 1 38 . 1 1 8 8 LYS HD3 H 1 1.427 0 . . . . . A 8 LYS HD3 . 17733 1 39 . 1 1 9 9 GLY H H 1 8.494 0 . . . . . A 9 GLY H . 17733 1 40 . 1 1 9 9 GLY HA2 H 1 4.11 0 . . . . . A 9 GLY HA2 . 17733 1 41 . 1 1 9 9 GLY HA3 H 1 3.404 0 . . . . . A 9 GLY HA3 . 17733 1 42 . 1 1 10 10 HIS H H 1 7.805 0 . . . . . A 10 HIS H . 17733 1 43 . 1 1 10 10 HIS HA H 1 4.528 0.002 . . . . . A 10 HIS HA . 17733 1 44 . 1 1 10 10 HIS HB2 H 1 3.269 0 . . . . . A 10 HIS HB2 . 17733 1 45 . 1 1 10 10 HIS HB3 H 1 3.028 0 . . . . . A 10 HIS HB3 . 17733 1 46 . 1 1 11 11 CYS H H 1 8.706 0 . . . . . A 11 CYS H . 17733 1 47 . 1 1 11 11 CYS HA H 1 4.897 0 . . . . . A 11 CYS HA . 17733 1 48 . 1 1 11 11 CYS HB2 H 1 3.567 0 . . . . . A 11 CYS HB2 . 17733 1 49 . 1 1 11 11 CYS HB3 H 1 2.411 0.001 . . . . . A 11 CYS HB3 . 17733 1 50 . 1 1 12 12 LYS H H 1 8.155 0 . . . . . A 12 LYS H . 17733 1 51 . 1 1 12 12 LYS HA H 1 4.321 0.004 . . . . . A 12 LYS HA . 17733 1 52 . 1 1 12 12 LYS HB2 H 1 1.844 0 . . . . . A 12 LYS HB2 . 17733 1 53 . 1 1 12 12 LYS HB3 H 1 1.348 0 . . . . . A 12 LYS HB3 . 17733 1 54 . 1 1 12 12 LYS HG2 H 1 1.454 0 . . . . . A 12 LYS HG2 . 17733 1 55 . 1 1 12 12 LYS HG3 H 1 1.454 0 . . . . . A 12 LYS HG3 . 17733 1 56 . 1 1 12 12 LYS HD2 H 1 1.589 0 . . . . . A 12 LYS HD2 . 17733 1 57 . 1 1 12 12 LYS HD3 H 1 1.589 0 . . . . . A 12 LYS HD3 . 17733 1 58 . 1 1 12 12 LYS HE2 H 1 2.875 0 . . . . . A 12 LYS HE2 . 17733 1 59 . 1 1 12 12 LYS HE3 H 1 2.875 0 . . . . . A 12 LYS HE3 . 17733 1 60 . 1 1 13 13 ARG H H 1 8.48 0 . . . . . A 13 ARG H . 17733 1 61 . 1 1 13 13 ARG HA H 1 3.958 0.001 . . . . . A 13 ARG HA . 17733 1 62 . 1 1 13 13 ARG HB2 H 1 1.715 0 . . . . . A 13 ARG HB2 . 17733 1 63 . 1 1 13 13 ARG HB3 H 1 1.632 0 . . . . . A 13 ARG HB3 . 17733 1 64 . 1 1 13 13 ARG HG2 H 1 1.609 0.001 . . . . . A 13 ARG HG2 . 17733 1 65 . 1 1 13 13 ARG HG3 H 1 1.5 0 . . . . . A 13 ARG HG3 . 17733 1 66 . 1 1 13 13 ARG HD2 H 1 3.102 0 . . . . . A 13 ARG HD2 . 17733 1 67 . 1 1 13 13 ARG HD3 H 1 3.102 0 . . . . . A 13 ARG HD3 . 17733 1 68 . 1 1 14 14 GLY H H 1 8.872 0 . . . . . A 14 GLY H . 17733 1 69 . 1 1 14 14 GLY HA2 H 1 4.115 0 . . . . . A 14 GLY HA2 . 17733 1 70 . 1 1 14 14 GLY HA3 H 1 3.617 0 . . . . . A 14 GLY HA3 . 17733 1 71 . 1 1 15 15 GLU H H 1 7.622 0 . . . . . A 15 GLU H . 17733 1 72 . 1 1 15 15 GLU HA H 1 4.372 0.01 . . . . . A 15 GLU HA . 17733 1 73 . 1 1 15 15 GLU HB2 H 1 1.912 0.005 . . . . . A 15 GLU HB2 . 17733 1 74 . 1 1 15 15 GLU HB3 H 1 1.525 0 . . . . . A 15 GLU HB3 . 17733 1 75 . 1 1 15 15 GLU HG2 H 1 2.158 0.002 . . . . . A 15 GLU HG2 . 17733 1 76 . 1 1 15 15 GLU HG3 H 1 2.02 0 . . . . . A 15 GLU HG3 . 17733 1 77 . 1 1 16 16 ARG H H 1 8.712 0.005 . . . . . A 16 ARG H . 17733 1 78 . 1 1 16 16 ARG HA H 1 4.451 0 . . . . . A 16 ARG HA . 17733 1 79 . 1 1 16 16 ARG HB2 H 1 1.516 0.003 . . . . . A 16 ARG HB2 . 17733 1 80 . 1 1 16 16 ARG HB3 H 1 1.516 0.003 . . . . . A 16 ARG HB3 . 17733 1 81 . 1 1 16 16 ARG HG2 H 1 1.396 0 . . . . . A 16 ARG HG2 . 17733 1 82 . 1 1 16 16 ARG HG3 H 1 1.396 0 . . . . . A 16 ARG HG3 . 17733 1 83 . 1 1 16 16 ARG HD2 H 1 3.024 0 . . . . . A 16 ARG HD2 . 17733 1 84 . 1 1 16 16 ARG HD3 H 1 3.024 0 . . . . . A 16 ARG HD3 . 17733 1 85 . 1 1 17 17 VAL H H 1 8.555 0 . . . . . A 17 VAL H . 17733 1 86 . 1 1 17 17 VAL HA H 1 4.281 0 . . . . . A 17 VAL HA . 17733 1 87 . 1 1 17 17 VAL HB H 1 1.978 0 . . . . . A 17 VAL HB . 17733 1 88 . 1 1 17 17 VAL HG11 H 1 0.961 0.002 . . . . . A 17 VAL HG11 . 17733 1 89 . 1 1 17 17 VAL HG12 H 1 0.961 0.002 . . . . . A 17 VAL HG12 . 17733 1 90 . 1 1 17 17 VAL HG13 H 1 0.961 0.002 . . . . . A 17 VAL HG13 . 17733 1 91 . 1 1 17 17 VAL HG21 H 1 0.961 0.002 . . . . . A 17 VAL HG21 . 17733 1 92 . 1 1 17 17 VAL HG22 H 1 0.961 0.002 . . . . . A 17 VAL HG22 . 17733 1 93 . 1 1 17 17 VAL HG23 H 1 0.961 0.002 . . . . . A 17 VAL HG23 . 17733 1 94 . 1 1 18 18 ARG H H 1 9.114 0 . . . . . A 18 ARG H . 17733 1 95 . 1 1 18 18 ARG HA H 1 4.584 0 . . . . . A 18 ARG HA . 17733 1 96 . 1 1 18 18 ARG HB2 H 1 2.006 0 . . . . . A 18 ARG HB2 . 17733 1 97 . 1 1 18 18 ARG HB3 H 1 2.006 0 . . . . . A 18 ARG HB3 . 17733 1 98 . 1 1 18 18 ARG HG2 H 1 1.525 0 . . . . . A 18 ARG HG2 . 17733 1 99 . 1 1 18 18 ARG HG3 H 1 1.433 0 . . . . . A 18 ARG HG3 . 17733 1 100 . 1 1 18 18 ARG HD2 H 1 3.093 0 . . . . . A 18 ARG HD2 . 17733 1 101 . 1 1 18 18 ARG HD3 H 1 3.093 0 . . . . . A 18 ARG HD3 . 17733 1 102 . 1 1 19 19 GLY H H 1 7.576 0.001 . . . . . A 19 GLY H . 17733 1 103 . 1 1 19 19 GLY HA2 H 1 4.346 0 . . . . . A 19 GLY HA2 . 17733 1 104 . 1 1 19 19 GLY HA3 H 1 3.878 0.004 . . . . . A 19 GLY HA3 . 17733 1 105 . 1 1 20 20 THR H H 1 8.409 0 . . . . . A 20 THR H . 17733 1 106 . 1 1 20 20 THR HA H 1 4.82 0 . . . . . A 20 THR HA . 17733 1 107 . 1 1 20 20 THR HB H 1 4.314 0 . . . . . A 20 THR HB . 17733 1 108 . 1 1 20 20 THR HG21 H 1 1.069 0.004 . . . . . A 20 THR HG21 . 17733 1 109 . 1 1 20 20 THR HG22 H 1 1.069 0.004 . . . . . A 20 THR HG22 . 17733 1 110 . 1 1 20 20 THR HG23 H 1 1.069 0.004 . . . . . A 20 THR HG23 . 17733 1 111 . 1 1 21 21 CYS H H 1 7.913 0 . . . . . A 21 CYS H . 17733 1 112 . 1 1 21 21 CYS HA H 1 4.735 0 . . . . . A 21 CYS HA . 17733 1 113 . 1 1 21 21 CYS HB2 H 1 3.105 0 . . . . . A 21 CYS HB2 . 17733 1 114 . 1 1 21 21 CYS HB3 H 1 2.943 0.001 . . . . . A 21 CYS HB3 . 17733 1 115 . 1 1 22 22 GLY H H 1 8.196 0 . . . . . A 22 GLY H . 17733 1 116 . 1 1 22 22 GLY HA2 H 1 3.957 0 . . . . . A 22 GLY HA2 . 17733 1 117 . 1 1 22 22 GLY HA3 H 1 3.703 0 . . . . . A 22 GLY HA3 . 17733 1 118 . 1 1 23 23 ILE H H 1 8.182 0 . . . . . A 23 ILE H . 17733 1 119 . 1 1 23 23 ILE HA H 1 3.859 0 . . . . . A 23 ILE HA . 17733 1 120 . 1 1 23 23 ILE HB H 1 1.781 0 . . . . . A 23 ILE HB . 17733 1 121 . 1 1 23 23 ILE HG21 H 1 0.78 0 . . . . . A 23 ILE HG21 . 17733 1 122 . 1 1 23 23 ILE HG22 H 1 0.78 0 . . . . . A 23 ILE HG22 . 17733 1 123 . 1 1 23 23 ILE HG23 H 1 0.78 0 . . . . . A 23 ILE HG23 . 17733 1 124 . 1 1 24 24 ARG H H 1 8.249 0 . . . . . A 24 ARG H . 17733 1 125 . 1 1 24 24 ARG HA H 1 3.999 0 . . . . . A 24 ARG HA . 17733 1 126 . 1 1 24 24 ARG HB2 H 1 1.568 0 . . . . . A 24 ARG HB2 . 17733 1 127 . 1 1 24 24 ARG HB3 H 1 1.568 0 . . . . . A 24 ARG HB3 . 17733 1 128 . 1 1 24 24 ARG HG2 H 1 1.302 0 . . . . . A 24 ARG HG2 . 17733 1 129 . 1 1 24 24 ARG HG3 H 1 1.302 0 . . . . . A 24 ARG HG3 . 17733 1 130 . 1 1 25 25 PHE H H 1 7.555 0 . . . . . A 25 PHE H . 17733 1 131 . 1 1 25 25 PHE HA H 1 5.067 0 . . . . . A 25 PHE HA . 17733 1 132 . 1 1 25 25 PHE HB2 H 1 3.016 0 . . . . . A 25 PHE HB2 . 17733 1 133 . 1 1 25 25 PHE HB3 H 1 2.773 0.003 . . . . . A 25 PHE HB3 . 17733 1 134 . 1 1 25 25 PHE HD1 H 1 7.028 0 . . . . . A 25 PHE HD1 . 17733 1 135 . 1 1 25 25 PHE HD2 H 1 7.028 0 . . . . . A 25 PHE HD2 . 17733 1 136 . 1 1 25 25 PHE HE1 H 1 7.251 0 . . . . . A 25 PHE HE1 . 17733 1 137 . 1 1 25 25 PHE HE2 H 1 7.251 0 . . . . . A 25 PHE HE2 . 17733 1 138 . 1 1 25 25 PHE HZ H 1 7.212 0.005 . . . . . A 25 PHE HZ . 17733 1 139 . 1 1 26 26 LEU H H 1 8.832 0 . . . . . A 26 LEU H . 17733 1 140 . 1 1 26 26 LEU HA H 1 4.595 0 . . . . . A 26 LEU HA . 17733 1 141 . 1 1 26 26 LEU HB2 H 1 1.402 0.004 . . . . . A 26 LEU HB2 . 17733 1 142 . 1 1 26 26 LEU HB3 H 1 1.402 0.004 . . . . . A 26 LEU HB3 . 17733 1 143 . 1 1 26 26 LEU HG H 1 1.196 0.004 . . . . . A 26 LEU HG . 17733 1 144 . 1 1 26 26 LEU HD11 H 1 0.696 0 . . . . . A 26 LEU HD11 . 17733 1 145 . 1 1 26 26 LEU HD12 H 1 0.696 0 . . . . . A 26 LEU HD12 . 17733 1 146 . 1 1 26 26 LEU HD13 H 1 0.696 0 . . . . . A 26 LEU HD13 . 17733 1 147 . 1 1 26 26 LEU HD21 H 1 0.696 0 . . . . . A 26 LEU HD21 . 17733 1 148 . 1 1 26 26 LEU HD22 H 1 0.696 0 . . . . . A 26 LEU HD22 . 17733 1 149 . 1 1 26 26 LEU HD23 H 1 0.696 0 . . . . . A 26 LEU HD23 . 17733 1 150 . 1 1 27 27 TYR H H 1 8.168 0 . . . . . A 27 TYR H . 17733 1 151 . 1 1 27 27 TYR HA H 1 4.804 0.002 . . . . . A 27 TYR HA . 17733 1 152 . 1 1 27 27 TYR HB2 H 1 2.557 0 . . . . . A 27 TYR HB2 . 17733 1 153 . 1 1 27 27 TYR HB3 H 1 2.138 0 . . . . . A 27 TYR HB3 . 17733 1 154 . 1 1 27 27 TYR HD1 H 1 6.706 0 . . . . . A 27 TYR HD1 . 17733 1 155 . 1 1 27 27 TYR HD2 H 1 6.706 0 . . . . . A 27 TYR HD2 . 17733 1 156 . 1 1 27 27 TYR HE1 H 1 6.509 0 . . . . . A 27 TYR HE1 . 17733 1 157 . 1 1 27 27 TYR HE2 H 1 6.509 0 . . . . . A 27 TYR HE2 . 17733 1 158 . 1 1 28 28 CYS H H 1 8.546 0.003 . . . . . A 28 CYS H . 17733 1 159 . 1 1 28 28 CYS HA H 1 4.761 0 . . . . . A 28 CYS HA . 17733 1 160 . 1 1 28 28 CYS HB2 H 1 2.528 0.006 . . . . . A 28 CYS HB2 . 17733 1 161 . 1 1 28 28 CYS HB3 H 1 1.332 0 . . . . . A 28 CYS HB3 . 17733 1 162 . 1 1 29 29 CYS H H 1 8.975 0 . . . . . A 29 CYS H . 17733 1 163 . 1 1 29 29 CYS HA H 1 5.069 0 . . . . . A 29 CYS HA . 17733 1 164 . 1 1 29 29 CYS HB2 H 1 2.934 0 . . . . . A 29 CYS HB2 . 17733 1 165 . 1 1 29 29 CYS HB3 H 1 2.379 0 . . . . . A 29 CYS HB3 . 17733 1 166 . 1 1 30 30 PRO HA H 1 4.443 0.005 . . . . . A 30 PRO HA . 17733 1 167 . 1 1 30 30 PRO HB2 H 1 2.386 0.005 . . . . . A 30 PRO HB2 . 17733 1 168 . 1 1 30 30 PRO HB3 H 1 1.847 0 . . . . . A 30 PRO HB3 . 17733 1 169 . 1 1 30 30 PRO HG2 H 1 2.009 0.003 . . . . . A 30 PRO HG2 . 17733 1 170 . 1 1 30 30 PRO HG3 H 1 1.948 0.006 . . . . . A 30 PRO HG3 . 17733 1 171 . 1 1 30 30 PRO HD2 H 1 3.668 0 . . . . . A 30 PRO HD2 . 17733 1 172 . 1 1 30 30 PRO HD3 H 1 3.541 0.006 . . . . . A 30 PRO HD3 . 17733 1 173 . 1 1 31 31 ARG H H 1 8.523 0 . . . . . A 31 ARG H . 17733 1 174 . 1 1 31 31 ARG HA H 1 4.025 0 . . . . . A 31 ARG HA . 17733 1 175 . 1 1 31 31 ARG HB2 H 1 1.704 0 . . . . . A 31 ARG HB2 . 17733 1 176 . 1 1 31 31 ARG HB3 H 1 1.615 0 . . . . . A 31 ARG HB3 . 17733 1 177 . 1 1 31 31 ARG HG2 H 1 1.477 0 . . . . . A 31 ARG HG2 . 17733 1 178 . 1 1 31 31 ARG HG3 H 1 1.477 0 . . . . . A 31 ARG HG3 . 17733 1 179 . 1 1 31 31 ARG HD2 H 1 3.061 0 . . . . . A 31 ARG HD2 . 17733 1 180 . 1 1 31 31 ARG HD3 H 1 3.061 0 . . . . . A 31 ARG HD3 . 17733 1 181 . 1 1 32 32 ARG H H 1 7.716 0 . . . . . A 32 ARG H . 17733 1 182 . 1 1 32 32 ARG HA H 1 4.026 0 . . . . . A 32 ARG HA . 17733 1 183 . 1 1 32 32 ARG HB2 H 1 1.712 0.006 . . . . . A 32 ARG HB2 . 17733 1 184 . 1 1 32 32 ARG HB3 H 1 1.593 0 . . . . . A 32 ARG HB3 . 17733 1 185 . 1 1 32 32 ARG HG2 H 1 1.446 0 . . . . . A 32 ARG HG2 . 17733 1 186 . 1 1 32 32 ARG HG3 H 1 1.446 0 . . . . . A 32 ARG HG3 . 17733 1 187 . 1 1 32 32 ARG HD2 H 1 3.069 0 . . . . . A 32 ARG HD2 . 17733 1 188 . 1 1 32 32 ARG HD3 H 1 3.069 0 . . . . . A 32 ARG HD3 . 17733 1 stop_ save_