data_26057 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26057 _Entry.Title ; Solution Structure of Mutant of BMAP-28(1-18) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-12 _Entry.Accession_date 2016-05-12 _Entry.Last_release_date 2016-05-26 _Entry.Original_release_date 2016-05-26 _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 Nutan Agadi . . . . 26057 2 Ashutosh Kumar . . . . 26057 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' . 26057 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AMP . 26057 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26057 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 57 26057 '1H chemical shifts' 132 26057 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 . . 2017-09-11 . original BMRB . 26057 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26055 'Solution Structure of BMAP-28(1-18)' 26057 PDB 2NDE 'BMRB Entry Tracking System' 26057 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26057 _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 ; Structure, Function And Membrane Interaction Studies of Two Synthetic Peptides Using Solution And Solid State NMR ; _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 Nutan Agadi . . . . 26057 1 2 Ashutosh Kumar . . . . 26057 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26057 _Assembly.ID 1 _Assembly.Name 'Mutant of BMAP-28(1-18)' _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 . . . 26057 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 26057 _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 ; IGLRGLGRKIALIHKKYG ; _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 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1999.514 _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 ILE . 26057 1 2 2 GLY . 26057 1 3 3 LEU . 26057 1 4 4 ARG . 26057 1 5 5 GLY . 26057 1 6 6 LEU . 26057 1 7 7 GLY . 26057 1 8 8 ARG . 26057 1 9 9 LYS . 26057 1 10 10 ILE . 26057 1 11 11 ALA . 26057 1 12 12 LEU . 26057 1 13 13 ILE . 26057 1 14 14 HIS . 26057 1 15 15 LYS . 26057 1 16 16 LYS . 26057 1 17 17 TYR . 26057 1 18 18 GLY . 26057 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 . ILE 1 1 26057 1 . GLY 2 2 26057 1 . LEU 3 3 26057 1 . ARG 4 4 26057 1 . GLY 5 5 26057 1 . LEU 6 6 26057 1 . GLY 7 7 26057 1 . ARG 8 8 26057 1 . LYS 9 9 26057 1 . ILE 10 10 26057 1 . ALA 11 11 26057 1 . LEU 12 12 26057 1 . ILE 13 13 26057 1 . HIS 14 14 26057 1 . LYS 15 15 26057 1 . LYS 16 16 26057 1 . TYR 17 17 26057 1 . GLY 18 18 26057 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 26057 _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 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 26057 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 26057 _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' . . . . . . . . . . . . . . . . 26057 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26057 _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 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26057 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 26057 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26057 1 4 SDS '[U-99% 2H]' . . . . . . 50 . . mM . . . . 26057 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 26057 _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 'ionic strength' 0 . M 26057 1 pH 6.6 . pH 26057 1 pressure 1 . atm 26057 1 temperature 298 . K 26057 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26057 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26057 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26057 1 stop_ save_ save_ccpnmr _Software.Sf_category software _Software.Sf_framecode ccpnmr _Software.Entry_ID 26057 _Software.ID 2 _Software.Name ccpnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26057 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26057 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 26057 _Software.ID 3 _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' . . 26057 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26057 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 26057 _Software.ID 4 _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' . . 26057 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 26057 4 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 26057 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model ASCEND _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26057 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26057 _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 ASCEND . 750 . . . 26057 1 2 spectrometer_2 Bruker Avance . 700 . . . 26057 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 26057 _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 . . . . . . . . . . . . . . . . . . . . . 26057 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26057 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26057 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26057 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 26057 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26057 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26057 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26057 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 26057 _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' . . . 26057 1 2 '2D 1H-15N HSQC' . . . 26057 1 3 '2D 1H-13C HSQC' . . . 26057 1 4 '2D 1H-1H NOESY' . . . 26057 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 ILE HA H 1 4.072 0.003 . . . . . A 1 ILE HA . 26057 1 2 . 1 1 1 1 ILE HB H 1 2.025 0.007 . . . . . A 1 ILE HB . 26057 1 3 . 1 1 1 1 ILE HG12 H 1 1.281 0.004 . . . . . A 1 ILE HG12 . 26057 1 4 . 1 1 1 1 ILE HG13 H 1 1.281 0.004 . . . . . A 1 ILE HG13 . 26057 1 5 . 1 1 1 1 ILE HG21 H 1 1.030 0.002 . . . . . A 1 ILE HG21 . 26057 1 6 . 1 1 1 1 ILE HG22 H 1 1.030 0.002 . . . . . A 1 ILE HG22 . 26057 1 7 . 1 1 1 1 ILE HG23 H 1 1.030 0.002 . . . . . A 1 ILE HG23 . 26057 1 8 . 1 1 1 1 ILE HD11 H 1 0.807 0.000 . . . . . A 1 ILE HD11 . 26057 1 9 . 1 1 1 1 ILE HD12 H 1 0.807 0.000 . . . . . A 1 ILE HD12 . 26057 1 10 . 1 1 1 1 ILE HD13 H 1 0.807 0.000 . . . . . A 1 ILE HD13 . 26057 1 11 . 1 1 1 1 ILE CB C 13 37.164 0.000 . . . . . A 1 ILE CB . 26057 1 12 . 1 1 1 1 ILE CG1 C 13 25.082 0.000 . . . . . A 1 ILE CG1 . 26057 1 13 . 1 1 1 1 ILE CG2 C 13 14.902 0.000 . . . . . A 1 ILE CG2 . 26057 1 14 . 1 1 1 1 ILE CD1 C 13 13.560 0.000 . . . . . A 1 ILE CD1 . 26057 1 15 . 1 1 2 2 GLY H H 1 8.193 0.002 . . . . . A 2 GLY H . 26057 1 16 . 1 1 2 2 GLY HA2 H 1 4.287 0.003 . . . . . A 2 GLY HA2 . 26057 1 17 . 1 1 2 2 GLY HA3 H 1 4.032 0.002 . . . . . A 2 GLY HA3 . 26057 1 18 . 1 1 2 2 GLY CA C 13 43.423 0.000 . . . . . A 2 GLY CA . 26057 1 19 . 1 1 3 3 LEU H H 1 8.165 0.002 . . . . . A 3 LEU H . 26057 1 20 . 1 1 3 3 LEU HA H 1 4.297 0.004 . . . . . A 3 LEU HA . 26057 1 21 . 1 1 3 3 LEU HB2 H 1 1.778 0.007 . . . . . A 3 LEU HB2 . 26057 1 22 . 1 1 3 3 LEU HB3 H 1 1.661 0.003 . . . . . A 3 LEU HB3 . 26057 1 23 . 1 1 3 3 LEU HD11 H 1 0.914 0.003 . . . . . A 3 LEU HD11 . 26057 1 24 . 1 1 3 3 LEU HD12 H 1 0.914 0.003 . . . . . A 3 LEU HD12 . 26057 1 25 . 1 1 3 3 LEU HD13 H 1 0.914 0.003 . . . . . A 3 LEU HD13 . 26057 1 26 . 1 1 3 3 LEU HD21 H 1 0.990 0.004 . . . . . A 3 LEU HD21 . 26057 1 27 . 1 1 3 3 LEU HD22 H 1 0.990 0.004 . . . . . A 3 LEU HD22 . 26057 1 28 . 1 1 3 3 LEU HD23 H 1 0.990 0.004 . . . . . A 3 LEU HD23 . 26057 1 29 . 1 1 3 3 LEU CA C 13 54.549 0.000 . . . . . A 3 LEU CA . 26057 1 30 . 1 1 3 3 LEU CB C 13 40.522 0.017 . . . . . A 3 LEU CB . 26057 1 31 . 1 1 3 3 LEU CD1 C 13 21.847 0.000 . . . . . A 3 LEU CD1 . 26057 1 32 . 1 1 3 3 LEU CD2 C 13 22.711 0.000 . . . . . A 3 LEU CD2 . 26057 1 33 . 1 1 4 4 ARG H H 1 8.213 0.003 . . . . . A 4 ARG H . 26057 1 34 . 1 1 4 4 ARG HA H 1 4.106 0.003 . . . . . A 4 ARG HA . 26057 1 35 . 1 1 4 4 ARG HB2 H 1 1.904 0.008 . . . . . A 4 ARG HB2 . 26057 1 36 . 1 1 4 4 ARG HB3 H 1 1.938 0.010 . . . . . A 4 ARG HB3 . 26057 1 37 . 1 1 4 4 ARG HG2 H 1 1.777 0.008 . . . . . A 4 ARG HG2 . 26057 1 38 . 1 1 4 4 ARG HG3 H 1 1.669 0.009 . . . . . A 4 ARG HG3 . 26057 1 39 . 1 1 4 4 ARG HD2 H 1 3.249 0.005 . . . . . A 4 ARG HD2 . 26057 1 40 . 1 1 4 4 ARG HD3 H 1 3.249 0.005 . . . . . A 4 ARG HD3 . 26057 1 41 . 1 1 4 4 ARG HE H 1 7.146 0.002 . . . . . A 4 ARG HE . 26057 1 42 . 1 1 4 4 ARG CA C 13 56.241 0.000 . . . . . A 4 ARG CA . 26057 1 43 . 1 1 4 4 ARG CB C 13 30.345 0.025 . . . . . A 4 ARG CB . 26057 1 44 . 1 1 4 4 ARG CD C 13 41.240 0.000 . . . . . A 4 ARG CD . 26057 1 45 . 1 1 5 5 GLY H H 1 8.290 0.002 . . . . . A 5 GLY H . 26057 1 46 . 1 1 5 5 GLY HA2 H 1 4.121 0.003 . . . . . A 5 GLY HA2 . 26057 1 47 . 1 1 5 5 GLY HA3 H 1 3.909 0.005 . . . . . A 5 GLY HA3 . 26057 1 48 . 1 1 5 5 GLY CA C 13 44.241 0.020 . . . . . A 5 GLY CA . 26057 1 49 . 1 1 6 6 LEU H H 1 8.087 0.004 . . . . . A 6 LEU H . 26057 1 50 . 1 1 6 6 LEU HA H 1 4.150 0.004 . . . . . A 6 LEU HA . 26057 1 51 . 1 1 6 6 LEU HB2 H 1 1.724 0.005 . . . . . A 6 LEU HB2 . 26057 1 52 . 1 1 6 6 LEU HB3 H 1 1.876 0.008 . . . . . A 6 LEU HB3 . 26057 1 53 . 1 1 6 6 LEU HD11 H 1 0.937 0.005 . . . . . A 6 LEU HD11 . 26057 1 54 . 1 1 6 6 LEU HD12 H 1 0.937 0.005 . . . . . A 6 LEU HD12 . 26057 1 55 . 1 1 6 6 LEU HD13 H 1 0.937 0.005 . . . . . A 6 LEU HD13 . 26057 1 56 . 1 1 6 6 LEU HD21 H 1 1.004 0.002 . . . . . A 6 LEU HD21 . 26057 1 57 . 1 1 6 6 LEU HD22 H 1 1.004 0.002 . . . . . A 6 LEU HD22 . 26057 1 58 . 1 1 6 6 LEU HD23 H 1 1.004 0.002 . . . . . A 6 LEU HD23 . 26057 1 59 . 1 1 6 6 LEU CA C 13 55.648 0.000 . . . . . A 6 LEU CA . 26057 1 60 . 1 1 6 6 LEU CB C 13 40.067 0.055 . . . . . A 6 LEU CB . 26057 1 61 . 1 1 6 6 LEU CD1 C 13 22.598 0.000 . . . . . A 6 LEU CD1 . 26057 1 62 . 1 1 6 6 LEU CD2 C 13 22.570 0.000 . . . . . A 6 LEU CD2 . 26057 1 63 . 1 1 7 7 GLY H H 1 8.512 0.002 . . . . . A 7 GLY H . 26057 1 64 . 1 1 7 7 GLY HA2 H 1 3.866 0.005 . . . . . A 7 GLY HA2 . 26057 1 65 . 1 1 7 7 GLY HA3 H 1 3.702 0.005 . . . . . A 7 GLY HA3 . 26057 1 66 . 1 1 7 7 GLY CA C 13 45.379 0.005 . . . . . A 7 GLY CA . 26057 1 67 . 1 1 8 8 ARG H H 1 7.806 0.002 . . . . . A 8 ARG H . 26057 1 68 . 1 1 8 8 ARG HA H 1 4.151 0.010 . . . . . A 8 ARG HA . 26057 1 69 . 1 1 8 8 ARG HB2 H 1 1.930 0.003 . . . . . A 8 ARG HB2 . 26057 1 70 . 1 1 8 8 ARG HB3 H 1 1.930 0.003 . . . . . A 8 ARG HB3 . 26057 1 71 . 1 1 8 8 ARG HG2 H 1 1.699 0.003 . . . . . A 8 ARG HG2 . 26057 1 72 . 1 1 8 8 ARG HG3 H 1 1.823 0.009 . . . . . A 8 ARG HG3 . 26057 1 73 . 1 1 8 8 ARG HD2 H 1 3.255 0.003 . . . . . A 8 ARG HD2 . 26057 1 74 . 1 1 8 8 ARG HD3 H 1 3.255 0.003 . . . . . A 8 ARG HD3 . 26057 1 75 . 1 1 8 8 ARG HE H 1 7.194 0.002 . . . . . A 8 ARG HE . 26057 1 76 . 1 1 8 8 ARG CA C 13 56.560 0.000 . . . . . A 8 ARG CA . 26057 1 77 . 1 1 8 8 ARG CB C 13 27.926 0.000 . . . . . A 8 ARG CB . 26057 1 78 . 1 1 8 8 ARG CG C 13 26.776 0.037 . . . . . A 8 ARG CG . 26057 1 79 . 1 1 8 8 ARG CD C 13 41.450 0.000 . . . . . A 8 ARG CD . 26057 1 80 . 1 1 9 9 LYS H H 1 7.826 0.000 . . . . . A 9 LYS H . 26057 1 81 . 1 1 9 9 LYS HA H 1 3.791 0.003 . . . . . A 9 LYS HA . 26057 1 82 . 1 1 10 10 ILE H H 1 8.099 0.003 . . . . . A 10 ILE H . 26057 1 83 . 1 1 10 10 ILE HA H 1 3.771 0.002 . . . . . A 10 ILE HA . 26057 1 84 . 1 1 10 10 ILE HB H 1 2.054 0.006 . . . . . A 10 ILE HB . 26057 1 85 . 1 1 10 10 ILE HG12 H 1 1.180 0.010 . . . . . A 10 ILE HG12 . 26057 1 86 . 1 1 10 10 ILE HG13 H 1 1.180 0.010 . . . . . A 10 ILE HG13 . 26057 1 87 . 1 1 10 10 ILE HG21 H 1 0.958 0.004 . . . . . A 10 ILE HG21 . 26057 1 88 . 1 1 10 10 ILE HG22 H 1 0.958 0.004 . . . . . A 10 ILE HG22 . 26057 1 89 . 1 1 10 10 ILE HG23 H 1 0.958 0.004 . . . . . A 10 ILE HG23 . 26057 1 90 . 1 1 10 10 ILE HD11 H 1 0.882 0.004 . . . . . A 10 ILE HD11 . 26057 1 91 . 1 1 10 10 ILE HD12 H 1 0.882 0.004 . . . . . A 10 ILE HD12 . 26057 1 92 . 1 1 10 10 ILE HD13 H 1 0.882 0.004 . . . . . A 10 ILE HD13 . 26057 1 93 . 1 1 10 10 ILE CA C 13 62.700 0.000 . . . . . A 10 ILE CA . 26057 1 94 . 1 1 10 10 ILE CB C 13 35.645 0.000 . . . . . A 10 ILE CB . 26057 1 95 . 1 1 10 10 ILE CG1 C 13 27.572 0.000 . . . . . A 10 ILE CG1 . 26057 1 96 . 1 1 10 10 ILE CG2 C 13 15.801 0.000 . . . . . A 10 ILE CG2 . 26057 1 97 . 1 1 10 10 ILE CD1 C 13 11.352 0.000 . . . . . A 10 ILE CD1 . 26057 1 98 . 1 1 11 11 ALA H H 1 8.193 0.003 . . . . . A 11 ALA H . 26057 1 99 . 1 1 11 11 ALA HA H 1 4.143 0.004 . . . . . A 11 ALA HA . 26057 1 100 . 1 1 11 11 ALA HB1 H 1 1.561 0.005 . . . . . A 11 ALA HB1 . 26057 1 101 . 1 1 11 11 ALA HB2 H 1 1.561 0.005 . . . . . A 11 ALA HB2 . 26057 1 102 . 1 1 11 11 ALA HB3 H 1 1.561 0.005 . . . . . A 11 ALA HB3 . 26057 1 103 . 1 1 11 11 ALA CA C 13 53.065 0.000 . . . . . A 11 ALA CA . 26057 1 104 . 1 1 11 11 ALA CB C 13 16.410 0.000 . . . . . A 11 ALA CB . 26057 1 105 . 1 1 12 12 LEU H H 1 7.868 0.004 . . . . . A 12 LEU H . 26057 1 106 . 1 1 12 12 LEU HA H 1 4.158 0.003 . . . . . A 12 LEU HA . 26057 1 107 . 1 1 12 12 LEU HB2 H 1 1.703 0.002 . . . . . A 12 LEU HB2 . 26057 1 108 . 1 1 12 12 LEU HB3 H 1 1.974 0.002 . . . . . A 12 LEU HB3 . 26057 1 109 . 1 1 12 12 LEU HD11 H 1 0.970 0.007 . . . . . A 12 LEU HD11 . 26057 1 110 . 1 1 12 12 LEU HD12 H 1 0.970 0.007 . . . . . A 12 LEU HD12 . 26057 1 111 . 1 1 12 12 LEU HD13 H 1 0.970 0.007 . . . . . A 12 LEU HD13 . 26057 1 112 . 1 1 12 12 LEU HD21 H 1 0.970 0.007 . . . . . A 12 LEU HD21 . 26057 1 113 . 1 1 12 12 LEU HD22 H 1 0.970 0.007 . . . . . A 12 LEU HD22 . 26057 1 114 . 1 1 12 12 LEU HD23 H 1 0.970 0.007 . . . . . A 12 LEU HD23 . 26057 1 115 . 1 1 12 12 LEU CB C 13 40.053 0.000 . . . . . A 12 LEU CB . 26057 1 116 . 1 1 12 12 LEU CD1 C 13 23.303 0.000 . . . . . A 12 LEU CD1 . 26057 1 117 . 1 1 12 12 LEU CD2 C 13 23.303 0.000 . . . . . A 12 LEU CD2 . 26057 1 118 . 1 1 13 13 ILE H H 1 7.939 0.008 . . . . . A 13 ILE H . 26057 1 119 . 1 1 13 13 ILE HA H 1 3.893 0.004 . . . . . A 13 ILE HA . 26057 1 120 . 1 1 13 13 ILE HB H 1 2.096 0.005 . . . . . A 13 ILE HB . 26057 1 121 . 1 1 13 13 ILE HG12 H 1 1.324 0.005 . . . . . A 13 ILE HG12 . 26057 1 122 . 1 1 13 13 ILE HG13 H 1 1.324 0.005 . . . . . A 13 ILE HG13 . 26057 1 123 . 1 1 13 13 ILE HG21 H 1 1.023 0.005 . . . . . A 13 ILE HG21 . 26057 1 124 . 1 1 13 13 ILE HG22 H 1 1.023 0.005 . . . . . A 13 ILE HG22 . 26057 1 125 . 1 1 13 13 ILE HG23 H 1 1.023 0.005 . . . . . A 13 ILE HG23 . 26057 1 126 . 1 1 13 13 ILE HD11 H 1 0.949 0.006 . . . . . A 13 ILE HD11 . 26057 1 127 . 1 1 13 13 ILE HD12 H 1 0.949 0.006 . . . . . A 13 ILE HD12 . 26057 1 128 . 1 1 13 13 ILE HD13 H 1 0.949 0.006 . . . . . A 13 ILE HD13 . 26057 1 129 . 1 1 13 13 ILE CA C 13 62.210 0.000 . . . . . A 13 ILE CA . 26057 1 130 . 1 1 13 13 ILE CB C 13 36.118 0.000 . . . . . A 13 ILE CB . 26057 1 131 . 1 1 13 13 ILE CG1 C 13 25.391 0.000 . . . . . A 13 ILE CG1 . 26057 1 132 . 1 1 13 13 ILE CG2 C 13 16.002 0.000 . . . . . A 13 ILE CG2 . 26057 1 133 . 1 1 13 13 ILE CD1 C 13 11.708 0.000 . . . . . A 13 ILE CD1 . 26057 1 134 . 1 1 14 14 HIS H H 1 8.306 0.008 . . . . . A 14 HIS H . 26057 1 135 . 1 1 14 14 HIS HA H 1 4.529 0.006 . . . . . A 14 HIS HA . 26057 1 136 . 1 1 14 14 HIS HB2 H 1 3.183 0.005 . . . . . A 14 HIS HB2 . 26057 1 137 . 1 1 14 14 HIS HB3 H 1 3.465 0.005 . . . . . A 14 HIS HB3 . 26057 1 138 . 1 1 14 14 HIS HD2 H 1 7.353 0.003 . . . . . A 14 HIS HD2 . 26057 1 139 . 1 1 14 14 HIS HE2 H 1 8.707 0.005 . . . . . A 14 HIS HE2 . 26057 1 140 . 1 1 14 14 HIS CA C 13 55.534 0.000 . . . . . A 14 HIS CA . 26057 1 141 . 1 1 14 14 HIS CB C 13 26.655 0.094 . . . . . A 14 HIS CB . 26057 1 142 . 1 1 14 14 HIS CD2 C 13 118.218 0.000 . . . . . A 14 HIS CD2 . 26057 1 143 . 1 1 15 15 LYS H H 1 8.046 0.005 . . . . . A 15 LYS H . 26057 1 144 . 1 1 15 15 LYS HA H 1 4.067 0.006 . . . . . A 15 LYS HA . 26057 1 145 . 1 1 15 15 LYS HB2 H 1 1.900 0.005 . . . . . A 15 LYS HB2 . 26057 1 146 . 1 1 15 15 LYS HB3 H 1 1.900 0.005 . . . . . A 15 LYS HB3 . 26057 1 147 . 1 1 15 15 LYS HG2 H 1 1.469 0.005 . . . . . A 15 LYS HG2 . 26057 1 148 . 1 1 15 15 LYS HG3 H 1 1.563 0.003 . . . . . A 15 LYS HG3 . 26057 1 149 . 1 1 15 15 LYS HD2 H 1 1.704 0.005 . . . . . A 15 LYS HD2 . 26057 1 150 . 1 1 15 15 LYS HD3 H 1 1.704 0.005 . . . . . A 15 LYS HD3 . 26057 1 151 . 1 1 15 15 LYS HE2 H 1 3.011 0.004 . . . . . A 15 LYS HE2 . 26057 1 152 . 1 1 15 15 LYS HE3 H 1 3.011 0.004 . . . . . A 15 LYS HE3 . 26057 1 153 . 1 1 15 15 LYS CA C 13 58.353 0.000 . . . . . A 15 LYS CA . 26057 1 154 . 1 1 15 15 LYS CB C 13 27.857 0.000 . . . . . A 15 LYS CB . 26057 1 155 . 1 1 15 15 LYS CG C 13 23.157 0.075 . . . . . A 15 LYS CG . 26057 1 156 . 1 1 15 15 LYS CD C 13 27.059 0.000 . . . . . A 15 LYS CD . 26057 1 157 . 1 1 15 15 LYS CE C 13 40.291 0.000 . . . . . A 15 LYS CE . 26057 1 158 . 1 1 16 16 LYS H H 1 7.896 0.003 . . . . . A 16 LYS H . 26057 1 159 . 1 1 16 16 LYS HA H 1 4.083 0.004 . . . . . A 16 LYS HA . 26057 1 160 . 1 1 16 16 LYS HB2 H 1 1.713 0.005 . . . . . A 16 LYS HB2 . 26057 1 161 . 1 1 16 16 LYS HB3 H 1 1.619 0.009 . . . . . A 16 LYS HB3 . 26057 1 162 . 1 1 16 16 LYS HG2 H 1 1.217 0.006 . . . . . A 16 LYS HG2 . 26057 1 163 . 1 1 16 16 LYS HG3 H 1 1.217 0.006 . . . . . A 16 LYS HG3 . 26057 1 164 . 1 1 16 16 LYS HD2 H 1 1.572 0.006 . . . . . A 16 LYS HD2 . 26057 1 165 . 1 1 16 16 LYS HD3 H 1 1.572 0.006 . . . . . A 16 LYS HD3 . 26057 1 166 . 1 1 16 16 LYS HE2 H 1 2.919 0.005 . . . . . A 16 LYS HE2 . 26057 1 167 . 1 1 16 16 LYS HE3 H 1 2.919 0.005 . . . . . A 16 LYS HE3 . 26057 1 168 . 1 1 16 16 LYS CA C 13 56.034 0.000 . . . . . A 16 LYS CA . 26057 1 169 . 1 1 16 16 LYS CB C 13 30.887 0.033 . . . . . A 16 LYS CB . 26057 1 170 . 1 1 16 16 LYS CG C 13 22.450 0.000 . . . . . A 16 LYS CG . 26057 1 171 . 1 1 16 16 LYS CD C 13 27.176 0.000 . . . . . A 16 LYS CD . 26057 1 172 . 1 1 16 16 LYS CE C 13 40.263 0.000 . . . . . A 16 LYS CE . 26057 1 173 . 1 1 17 17 TYR H H 1 7.926 0.004 . . . . . A 17 TYR H . 26057 1 174 . 1 1 17 17 TYR HA H 1 4.636 0.005 . . . . . A 17 TYR HA . 26057 1 175 . 1 1 17 17 TYR HB2 H 1 3.238 0.004 . . . . . A 17 TYR HB2 . 26057 1 176 . 1 1 17 17 TYR HB3 H 1 2.768 0.005 . . . . . A 17 TYR HB3 . 26057 1 177 . 1 1 17 17 TYR HD1 H 1 7.229 0.002 . . . . . A 17 TYR HD1 . 26057 1 178 . 1 1 17 17 TYR HD2 H 1 7.229 0.002 . . . . . A 17 TYR HD2 . 26057 1 179 . 1 1 17 17 TYR HE1 H 1 6.808 0.004 . . . . . A 17 TYR HE1 . 26057 1 180 . 1 1 17 17 TYR HE2 H 1 6.808 0.004 . . . . . A 17 TYR HE2 . 26057 1 181 . 1 1 17 17 TYR CA C 13 56.426 0.000 . . . . . A 17 TYR CA . 26057 1 182 . 1 1 17 17 TYR CB C 13 37.428 0.019 . . . . . A 17 TYR CB . 26057 1 183 . 1 1 17 17 TYR CD1 C 13 131.298 0.000 . . . . . A 17 TYR CD1 . 26057 1 184 . 1 1 17 17 TYR CD2 C 13 131.298 0.000 . . . . . A 17 TYR CD2 . 26057 1 185 . 1 1 17 17 TYR CE1 C 13 115.841 0.000 . . . . . A 17 TYR CE1 . 26057 1 186 . 1 1 17 17 TYR CE2 C 13 115.841 0.000 . . . . . A 17 TYR CE2 . 26057 1 187 . 1 1 18 18 GLY H H 1 7.764 0.002 . . . . . A 18 GLY H . 26057 1 188 . 1 1 18 18 GLY HA2 H 1 3.813 0.006 . . . . . A 18 GLY HA2 . 26057 1 189 . 1 1 18 18 GLY HA3 H 1 3.660 0.005 . . . . . A 18 GLY HA3 . 26057 1 190 . 1 1 18 18 GLY CA C 13 44.295 0.012 . . . . . A 18 GLY CA . 26057 1 stop_ save_