data_19154 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19154 _Entry.Title ; Sungsanpin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-10 _Entry.Accession_date 2013-04-10 _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 Soohyun Um . . . 19154 2 Young-Joo Kim . . . 19154 3 Seong-Hwan Kim . . . 19154 4 'Hak Cheol' Kwon . . . 19154 5 Sunghyouk Park . . . 19154 6 Jongheon Shin . . . 19154 7 Dong-Chan Oh . . . 19154 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19154 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 77 19154 '1H chemical shifts' 103 19154 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 . . 2013-05-13 2013-04-10 update BMRB 'update entry citation' 19154 1 . . 2013-05-13 2013-04-10 original author 'original release' 19154 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19154 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23662937 _Citation.Full_citation . _Citation.Title 'Sungsanpin, a lasso Peptide from a deep-sea streptomycete.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Nat. Prod.' _Citation.Journal_name_full 'Journal of natural products' _Citation.Journal_volume 76 _Citation.Journal_issue 5 _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 873 _Citation.Page_last 879 _Citation.Year 2013 _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 Soohyun Um . . . 19154 1 2 Young-Joo Kim . . . 19154 1 3 Hyuknam Kwon . . . 19154 1 4 He Wen . . . 19154 1 5 Seong-Hwan Kim . . . 19154 1 6 'Hak Cheol' Kwon . . . 19154 1 7 Sunghyouk Park . . . 19154 1 8 Jongheon Shin . . . 19154 1 9 Dong-Chan Oh . . . 19154 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19154 _Assembly.ID 1 _Assembly.Name Sungsanpin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Sungsanpin 1 $Sungsanpin A . yes native no no . . . 19154 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sungsanpin _Entity.Sf_category entity _Entity.Sf_framecode Sungsanpin _Entity.Entry_ID 19154 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sungsanpin _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 GFGSKPIDSFGLSWL _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 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1591 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _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 . yes GB 'BankIt1619805 Seq1 KC871171' . Sungsanpin . . . . . . . . . . . . . . 19154 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 1 GLY . 19154 1 2 2 PHE . 19154 1 3 3 GLY . 19154 1 4 4 SER . 19154 1 5 5 LYS . 19154 1 6 6 PRO . 19154 1 7 7 ILE . 19154 1 8 8 ASP . 19154 1 9 9 SER . 19154 1 10 10 PHE . 19154 1 11 11 GLY . 19154 1 12 12 LEU . 19154 1 13 13 SER . 19154 1 14 14 TRP . 19154 1 15 15 LEU . 19154 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 19154 1 . PHE 2 2 19154 1 . GLY 3 3 19154 1 . SER 4 4 19154 1 . LYS 5 5 19154 1 . PRO 6 6 19154 1 . ILE 7 7 19154 1 . ASP 8 8 19154 1 . SER 9 9 19154 1 . PHE 10 10 19154 1 . GLY 11 11 19154 1 . LEU 12 12 19154 1 . SER 13 13 19154 1 . TRP 14 14 19154 1 . LEU 15 15 19154 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 19154 _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 $Sungsanpin . 742659 organism . 'Streptomyces sp I08A-00426' Streptomyces . . Bacteria . Streptomyces . . . . . . . . . . . . . . . . . . . . . . 19154 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 19154 _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 $Sungsanpin . 'purified from the natural source' 'Streptomyces sp. I08A-00426' . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19154 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19154 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system pyridine-d5 _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 Sungsanpin 'natural abundance' . . 1 $Sungsanpin . . 18.2 . . mg . . . . 19154 1 2 pyridine-d5 'natural abundance' . . . . . . . . . . . . . . 19154 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 19154 _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 5.25 . pH 19154 1 pressure 1 . atm 19154 1 temperature 273 . K 19154 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19154 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19154 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19154 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 19154 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model ARX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19154 _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 ARX . 900 . . . 19154 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 19154 _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-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19154 1 2 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19154 1 3 '2D 1H-1H COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19154 1 4 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19154 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19154 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRView _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19154 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19154 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19154 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 19154 _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-13C HSQC' . . . 19154 1 2 '2D 1H-1H TOCSY' . . . 19154 1 3 '2D 1H-1H COSY' . . . 19154 1 4 '2D 1H-1H NOESY' . . . 19154 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 GLY H H 1 8.4100 . . 1 . . . . 1 GLY H . 19154 1 2 . 1 1 1 1 GLY HA2 H 1 5.1000 . . 2 . . . . 1 GLY HA2 . 19154 1 3 . 1 1 1 1 GLY HA3 H 1 3.8000 . . 2 . . . . 1 GLY HA3 . 19154 1 4 . 1 1 1 1 GLY C C 13 171.6000 . . 1 . . . . 1 GLY C . 19154 1 5 . 1 1 1 1 GLY CA C 13 45.2000 . . 1 . . . . 1 GLY CA . 19154 1 6 . 1 1 2 2 PHE H H 1 11.0100 . . 1 . . . . 2 PHE H . 19154 1 7 . 1 1 2 2 PHE HA H 1 4.1500 . . 1 . . . . 2 PHE HA . 19154 1 8 . 1 1 2 2 PHE HB2 H 1 3.9200 . . 2 . . . . 2 PHE HB2 . 19154 1 9 . 1 1 2 2 PHE HB3 H 1 3.9200 . . 2 . . . . 2 PHE HB3 . 19154 1 10 . 1 1 2 2 PHE HD1 H 1 7.2300 . . 3 . . . . 2 PHE HD1 . 19154 1 11 . 1 1 2 2 PHE HD2 H 1 7.2300 . . 3 . . . . 2 PHE HD2 . 19154 1 12 . 1 1 2 2 PHE HE1 H 1 7.2500 . . 3 . . . . 2 PHE HE1 . 19154 1 13 . 1 1 2 2 PHE HE2 H 1 7.2500 . . 3 . . . . 2 PHE HE2 . 19154 1 14 . 1 1 2 2 PHE HZ H 1 7.1900 . . 1 . . . . 2 PHE HZ . 19154 1 15 . 1 1 2 2 PHE C C 13 171.5000 . . 1 . . . . 2 PHE C . 19154 1 16 . 1 1 2 2 PHE CA C 13 58.6000 . . 1 . . . . 2 PHE CA . 19154 1 17 . 1 1 2 2 PHE CB C 13 35.0000 . . 1 . . . . 2 PHE CB . 19154 1 18 . 1 1 2 2 PHE CG C 13 141.3000 . . 1 . . . . 2 PHE CG . 19154 1 19 . 1 1 2 2 PHE CD1 C 13 130.2000 . . 3 . . . . 2 PHE CD1 . 19154 1 20 . 1 1 2 2 PHE CD2 C 13 130.6000 . . 3 . . . . 2 PHE CD2 . 19154 1 21 . 1 1 2 2 PHE CE1 C 13 129.1000 . . 3 . . . . 2 PHE CE1 . 19154 1 22 . 1 1 2 2 PHE CE2 C 13 129.1000 . . 3 . . . . 2 PHE CE2 . 19154 1 23 . 1 1 2 2 PHE CZ C 13 126.9000 . . 1 . . . . 2 PHE CZ . 19154 1 24 . 1 1 3 3 GLY H H 1 8.3500 . . 1 . . . . 3 GLY H . 19154 1 25 . 1 1 3 3 GLY HA2 H 1 4.9600 . . 2 . . . . 3 GLY HA2 . 19154 1 26 . 1 1 3 3 GLY HA3 H 1 4.1900 . . 2 . . . . 3 GLY HA3 . 19154 1 27 . 1 1 3 3 GLY C C 13 169.5000 . . 1 . . . . 3 GLY C . 19154 1 28 . 1 1 3 3 GLY CA C 13 46.0000 . . 1 . . . . 3 GLY CA . 19154 1 29 . 1 1 4 4 SER H H 1 8.9700 . . 1 . . . . 4 SER H . 19154 1 30 . 1 1 4 4 SER HA H 1 5.3600 . . 1 . . . . 4 SER HA . 19154 1 31 . 1 1 4 4 SER HB2 H 1 4.4100 . . 2 . . . . 4 SER HB2 . 19154 1 32 . 1 1 4 4 SER HB3 H 1 4.3600 . . 2 . . . . 4 SER HB3 . 19154 1 33 . 1 1 4 4 SER C C 13 171.4000 . . 1 . . . . 4 SER C . 19154 1 34 . 1 1 4 4 SER CA C 13 57.4000 . . 1 . . . . 4 SER CA . 19154 1 35 . 1 1 4 4 SER CB C 13 64.5000 . . 1 . . . . 4 SER CB . 19154 1 36 . 1 1 5 5 LYS H H 1 9.7000 . . 1 . . . . 5 LYS H . 19154 1 37 . 1 1 5 5 LYS HA H 1 5.3700 . . 1 . . . . 5 LYS HA . 19154 1 38 . 1 1 5 5 LYS HB2 H 1 2.1000 . . 2 . . . . 5 LYS HB2 . 19154 1 39 . 1 1 5 5 LYS HB3 H 1 1.8700 . . 2 . . . . 5 LYS HB3 . 19154 1 40 . 1 1 5 5 LYS HG2 H 1 1.8200 . . 2 . . . . 5 LYS HG2 . 19154 1 41 . 1 1 5 5 LYS HG3 H 1 1.6200 . . 2 . . . . 5 LYS HG3 . 19154 1 42 . 1 1 5 5 LYS HD2 H 1 1.7400 . . 2 . . . . 5 LYS HD2 . 19154 1 43 . 1 1 5 5 LYS HD3 H 1 1.6200 . . 2 . . . . 5 LYS HD3 . 19154 1 44 . 1 1 5 5 LYS HE2 H 1 3.1400 . . 2 . . . . 5 LYS HE2 . 19154 1 45 . 1 1 5 5 LYS HE3 H 1 3.0600 . . 2 . . . . 5 LYS HE3 . 19154 1 46 . 1 1 5 5 LYS C C 13 173.2000 . . 1 . . . . 5 LYS C . 19154 1 47 . 1 1 5 5 LYS CA C 13 51.1000 . . 1 . . . . 5 LYS CA . 19154 1 48 . 1 1 5 5 LYS CB C 13 31.9000 . . 1 . . . . 5 LYS CB . 19154 1 49 . 1 1 5 5 LYS CG C 13 26.6000 . . 1 . . . . 5 LYS CG . 19154 1 50 . 1 1 5 5 LYS CD C 13 20.1000 . . 1 . . . . 5 LYS CD . 19154 1 51 . 1 1 5 5 LYS CE C 13 38.9000 . . 1 . . . . 5 LYS CE . 19154 1 52 . 1 1 6 6 PRO HA H 1 4.7600 . . 1 . . . . 6 PRO HA . 19154 1 53 . 1 1 6 6 PRO HB2 H 1 2.1600 . . 2 . . . . 6 PRO HB2 . 19154 1 54 . 1 1 6 6 PRO HB3 H 1 2.0900 . . 2 . . . . 6 PRO HB3 . 19154 1 55 . 1 1 6 6 PRO HG2 H 1 2.1000 . . 2 . . . . 6 PRO HG2 . 19154 1 56 . 1 1 6 6 PRO HG3 H 1 1.7800 . . 2 . . . . 6 PRO HG3 . 19154 1 57 . 1 1 6 6 PRO HD2 H 1 3.9300 . . 2 . . . . 6 PRO HD2 . 19154 1 58 . 1 1 6 6 PRO HD3 H 1 3.6200 . . 2 . . . . 6 PRO HD3 . 19154 1 59 . 1 1 6 6 PRO C C 13 174.5000 . . 1 . . . . 6 PRO C . 19154 1 60 . 1 1 6 6 PRO CA C 13 61.3000 . . 1 . . . . 6 PRO CA . 19154 1 61 . 1 1 6 6 PRO CB C 13 30.4000 . . 1 . . . . 6 PRO CB . 19154 1 62 . 1 1 6 6 PRO CG C 13 26.7000 . . 1 . . . . 6 PRO CG . 19154 1 63 . 1 1 6 6 PRO CD C 13 48.4000 . . 1 . . . . 6 PRO CD . 19154 1 64 . 1 1 7 7 ILE H H 1 8.0400 . . 1 . . . . 7 ILE H . 19154 1 65 . 1 1 7 7 ILE HA H 1 5.1300 . . 1 . . . . 7 ILE HA . 19154 1 66 . 1 1 7 7 ILE HB H 1 2.2400 . . 1 . . . . 7 ILE HB . 19154 1 67 . 1 1 7 7 ILE HG12 H 1 2.0400 . . 2 . . . . 7 ILE HG12 . 19154 1 68 . 1 1 7 7 ILE HG13 H 1 1.5600 . . 2 . . . . 7 ILE HG13 . 19154 1 69 . 1 1 7 7 ILE HG21 H 1 1.0400 . . 1 . . . . 7 ILE HG21 . 19154 1 70 . 1 1 7 7 ILE HG22 H 1 1.0400 . . 1 . . . . 7 ILE HG21 . 19154 1 71 . 1 1 7 7 ILE HG23 H 1 1.0400 . . 1 . . . . 7 ILE HG21 . 19154 1 72 . 1 1 7 7 ILE HD11 H 1 0.9900 . . 1 . . . . 7 ILE HD11 . 19154 1 73 . 1 1 7 7 ILE HD12 H 1 0.9900 . . 1 . . . . 7 ILE HD11 . 19154 1 74 . 1 1 7 7 ILE HD13 H 1 0.9900 . . 1 . . . . 7 ILE HD11 . 19154 1 75 . 1 1 7 7 ILE C C 13 170.7000 . . 1 . . . . 7 ILE C . 19154 1 76 . 1 1 7 7 ILE CA C 13 60.0000 . . 1 . . . . 7 ILE CA . 19154 1 77 . 1 1 7 7 ILE CB C 13 43.4000 . . 1 . . . . 7 ILE CB . 19154 1 78 . 1 1 7 7 ILE CG1 C 13 25.8000 . . 1 . . . . 7 ILE CG1 . 19154 1 79 . 1 1 7 7 ILE CG2 C 13 16.0000 . . 1 . . . . 7 ILE CG2 . 19154 1 80 . 1 1 7 7 ILE CD1 C 13 12.9000 . . 1 . . . . 7 ILE CD1 . 19154 1 81 . 1 1 8 8 ASP H H 1 9.5100 . . 1 . . . . 8 ASP H . 19154 1 82 . 1 1 8 8 ASP HA H 1 5.5700 . . 1 . . . . 8 ASP HA . 19154 1 83 . 1 1 8 8 ASP HB2 H 1 3.8300 . . 2 . . . . 8 ASP HB2 . 19154 1 84 . 1 1 8 8 ASP HB3 H 1 3.6900 . . 2 . . . . 8 ASP HB3 . 19154 1 85 . 1 1 8 8 ASP C C 13 173.1000 . . 1 . . . . 8 ASP C . 19154 1 86 . 1 1 8 8 ASP CA C 13 51.1000 . . 1 . . . . 8 ASP CA . 19154 1 87 . 1 1 8 8 ASP CB C 13 37.5000 . . 1 . . . . 8 ASP CB . 19154 1 88 . 1 1 8 8 ASP CG C 13 171.3000 . . 1 . . . . 8 ASP CG . 19154 1 89 . 1 1 9 9 SER H H 1 9.0100 . . 1 . . . . 9 SER H . 19154 1 90 . 1 1 9 9 SER HA H 1 4.7700 . . 1 . . . . 9 SER HA . 19154 1 91 . 1 1 9 9 SER HB2 H 1 4.0800 . . 2 . . . . 9 SER HB2 . 19154 1 92 . 1 1 9 9 SER HB3 H 1 3.8500 . . 2 . . . . 9 SER HB3 . 19154 1 93 . 1 1 9 9 SER C C 13 171.0000 . . 1 . . . . 9 SER C . 19154 1 94 . 1 1 9 9 SER CA C 13 58.6000 . . 1 . . . . 9 SER CA . 19154 1 95 . 1 1 9 9 SER CB C 13 62.0000 . . 1 . . . . 9 SER CB . 19154 1 96 . 1 1 10 10 PHE H H 1 9.1600 . . 1 . . . . 10 PHE H . 19154 1 97 . 1 1 10 10 PHE HA H 1 5.4300 . . 1 . . . . 10 PHE HA . 19154 1 98 . 1 1 10 10 PHE HB2 H 1 2.9200 . . 2 . . . . 10 PHE HB2 . 19154 1 99 . 1 1 10 10 PHE HB3 H 1 2.6900 . . 2 . . . . 10 PHE HB3 . 19154 1 100 . 1 1 10 10 PHE HD1 H 1 7.1200 . . 3 . . . . 10 PHE HD1 . 19154 1 101 . 1 1 10 10 PHE HD2 H 1 7.1200 . . 3 . . . . 10 PHE HD2 . 19154 1 102 . 1 1 10 10 PHE HE1 H 1 7.1500 . . 3 . . . . 10 PHE HE1 . 19154 1 103 . 1 1 10 10 PHE HE2 H 1 7.1500 . . 3 . . . . 10 PHE HE2 . 19154 1 104 . 1 1 10 10 PHE HZ H 1 7.0800 . . 1 . . . . 10 PHE HZ . 19154 1 105 . 1 1 10 10 PHE C C 13 172.1000 . . 1 . . . . 10 PHE C . 19154 1 106 . 1 1 10 10 PHE CA C 13 54.5000 . . 1 . . . . 10 PHE CA . 19154 1 107 . 1 1 10 10 PHE CB C 13 39.0000 . . 1 . . . . 10 PHE CB . 19154 1 108 . 1 1 10 10 PHE CG C 13 139.2000 . . 1 . . . . 10 PHE CG . 19154 1 109 . 1 1 10 10 PHE CD1 C 13 129.5000 . . 3 . . . . 10 PHE CD1 . 19154 1 110 . 1 1 10 10 PHE CD2 C 13 129.5000 . . 3 . . . . 10 PHE CD2 . 19154 1 111 . 1 1 10 10 PHE CE1 C 13 128.8000 . . 3 . . . . 10 PHE CE1 . 19154 1 112 . 1 1 10 10 PHE CE2 C 13 128.8000 . . 3 . . . . 10 PHE CE2 . 19154 1 113 . 1 1 10 10 PHE CZ C 13 126.8000 . . 1 . . . . 10 PHE CZ . 19154 1 114 . 1 1 11 11 GLY H H 1 8.0900 . . 1 . . . . 11 GLY H . 19154 1 115 . 1 1 11 11 GLY HA2 H 1 5.0100 . . 2 . . . . 11 GLY HA2 . 19154 1 116 . 1 1 11 11 GLY HA3 H 1 4.0900 . . 2 . . . . 11 GLY HA3 . 19154 1 117 . 1 1 11 11 GLY C C 13 170.0000 . . 1 . . . . 11 GLY C . 19154 1 118 . 1 1 11 11 GLY CA C 13 44.3000 . . 1 . . . . 11 GLY CA . 19154 1 119 . 1 1 12 12 LEU H H 1 10.2000 . . 1 . . . . 12 LEU H . 19154 1 120 . 1 1 12 12 LEU HA H 1 4.7500 . . 1 . . . . 12 LEU HA . 19154 1 121 . 1 1 12 12 LEU HB2 H 1 2.5600 . . 2 . . . . 12 LEU HB2 . 19154 1 122 . 1 1 12 12 LEU HB3 H 1 1.5500 . . 2 . . . . 12 LEU HB3 . 19154 1 123 . 1 1 12 12 LEU HG H 1 1.7500 . . 1 . . . . 12 LEU HG . 19154 1 124 . 1 1 12 12 LEU HD11 H 1 0.9000 . . 2 . . . . 12 LEU HD11 . 19154 1 125 . 1 1 12 12 LEU HD12 H 1 0.9000 . . 2 . . . . 12 LEU HD11 . 19154 1 126 . 1 1 12 12 LEU HD13 H 1 0.9000 . . 2 . . . . 12 LEU HD11 . 19154 1 127 . 1 1 12 12 LEU HD21 H 1 0.8600 . . 2 . . . . 12 LEU HD21 . 19154 1 128 . 1 1 12 12 LEU HD22 H 1 0.8600 . . 2 . . . . 12 LEU HD21 . 19154 1 129 . 1 1 12 12 LEU HD23 H 1 0.8600 . . 2 . . . . 12 LEU HD21 . 19154 1 130 . 1 1 12 12 LEU C C 13 175.0000 . . 1 . . . . 12 LEU C . 19154 1 131 . 1 1 12 12 LEU CA C 13 54.2000 . . 1 . . . . 12 LEU CA . 19154 1 132 . 1 1 12 12 LEU CB C 13 39.3000 . . 1 . . . . 12 LEU CB . 19154 1 133 . 1 1 12 12 LEU CG C 13 15.3000 . . 1 . . . . 12 LEU CG . 19154 1 134 . 1 1 12 12 LEU CD1 C 13 23.6000 . . 2 . . . . 12 LEU CD1 . 19154 1 135 . 1 1 12 12 LEU CD2 C 13 20.1000 . . 2 . . . . 12 LEU CD2 . 19154 1 136 . 1 1 13 13 SER H H 1 10.0100 . . 1 . . . . 13 SER H . 19154 1 137 . 1 1 13 13 SER HA H 1 5.3700 . . 1 . . . . 13 SER HA . 19154 1 138 . 1 1 13 13 SER HB2 H 1 4.4200 . . 2 . . . . 13 SER HB2 . 19154 1 139 . 1 1 13 13 SER HB3 H 1 4.0500 . . 2 . . . . 13 SER HB3 . 19154 1 140 . 1 1 13 13 SER C C 13 174.5000 . . 1 . . . . 13 SER C . 19154 1 141 . 1 1 13 13 SER CA C 13 55.2000 . . 1 . . . . 13 SER CA . 19154 1 142 . 1 1 13 13 SER CB C 13 64.5000 . . 1 . . . . 13 SER CB . 19154 1 143 . 1 1 14 14 TRP H H 1 8.3000 . . 1 . . . . 14 TRP H . 19154 1 144 . 1 1 14 14 TRP HA H 1 5.1700 . . 1 . . . . 14 TRP HA . 19154 1 145 . 1 1 14 14 TRP HB2 H 1 4.0900 . . 2 . . . . 14 TRP HB2 . 19154 1 146 . 1 1 14 14 TRP HB3 H 1 3.8200 . . 2 . . . . 14 TRP HB3 . 19154 1 147 . 1 1 14 14 TRP HD1 H 1 8.3500 . . 1 . . . . 14 TRP HD1 . 19154 1 148 . 1 1 14 14 TRP HE1 H 1 11.7500 . . 1 . . . . 14 TRP HE1 . 19154 1 149 . 1 1 14 14 TRP HE3 H 1 8.2000 . . 1 . . . . 14 TRP HE3 . 19154 1 150 . 1 1 14 14 TRP HZ2 H 1 7.4700 . . 1 . . . . 14 TRP HZ2 . 19154 1 151 . 1 1 14 14 TRP HZ3 H 1 7.1800 . . 1 . . . . 14 TRP HZ3 . 19154 1 152 . 1 1 14 14 TRP HH2 H 1 7.2000 . . 1 . . . . 14 TRP HH2 . 19154 1 153 . 1 1 14 14 TRP C C 13 170.6000 . . 1 . . . . 14 TRP C . 19154 1 154 . 1 1 14 14 TRP CA C 13 56.3000 . . 1 . . . . 14 TRP CA . 19154 1 155 . 1 1 14 14 TRP CB C 13 27.4000 . . 1 . . . . 14 TRP CB . 19154 1 156 . 1 1 14 14 TRP CG C 13 110.8000 . . 1 . . . . 14 TRP CG . 19154 1 157 . 1 1 14 14 TRP CD1 C 13 126.1000 . . 1 . . . . 14 TRP CD1 . 19154 1 158 . 1 1 14 14 TRP CD2 C 13 129.7000 . . 1 . . . . 14 TRP CD2 . 19154 1 159 . 1 1 14 14 TRP CE2 C 13 137.8000 . . 1 . . . . 14 TRP CE2 . 19154 1 160 . 1 1 14 14 TRP CE3 C 13 120.9000 . . 1 . . . . 14 TRP CE3 . 19154 1 161 . 1 1 14 14 TRP CZ2 C 13 111.9000 . . 1 . . . . 14 TRP CZ2 . 19154 1 162 . 1 1 14 14 TRP CZ3 C 13 119.5000 . . 1 . . . . 14 TRP CZ3 . 19154 1 163 . 1 1 14 14 TRP CH2 C 13 121.8000 . . 1 . . . . 14 TRP CH2 . 19154 1 164 . 1 1 15 15 LEU H H 1 7.8000 . . 1 . . . . 15 LEU H . 19154 1 165 . 1 1 15 15 LEU HA H 1 4.9200 . . 1 . . . . 15 LEU HA . 19154 1 166 . 1 1 15 15 LEU HB2 H 1 1.4100 . . 2 . . . . 15 LEU HB2 . 19154 1 167 . 1 1 15 15 LEU HB3 H 1 1.0300 . . 2 . . . . 15 LEU HB3 . 19154 1 168 . 1 1 15 15 LEU HG H 1 1.5000 . . 1 . . . . 15 LEU HG . 19154 1 169 . 1 1 15 15 LEU C C 13 179.7000 . . 1 . . . . 15 LEU C . 19154 1 170 . 1 1 15 15 LEU HD11 H 1 0.8200 . . 2 . . . . 15 LEU HD11 . 19154 1 171 . 1 1 15 15 LEU HD12 H 1 0.8200 . . 2 . . . . 15 LEU HD11 . 19154 1 172 . 1 1 15 15 LEU HD13 H 1 0.8200 . . 2 . . . . 15 LEU HD11 . 19154 1 173 . 1 1 15 15 LEU HD21 H 1 0.7300 . . 2 . . . . 15 LEU HD21 . 19154 1 174 . 1 1 15 15 LEU HD22 H 1 0.7300 . . 2 . . . . 15 LEU HD21 . 19154 1 175 . 1 1 15 15 LEU HD23 H 1 0.7300 . . 2 . . . . 15 LEU HD21 . 19154 1 176 . 1 1 15 15 LEU CA C 13 54.4000 . . 1 . . . . 15 LEU CA . 19154 1 177 . 1 1 15 15 LEU CB C 13 43.9000 . . 1 . . . . 15 LEU CB . 19154 1 178 . 1 1 15 15 LEU CG C 13 25.2000 . . 1 . . . . 15 LEU CG . 19154 1 179 . 1 1 15 15 LEU CD1 C 13 23.2000 . . 2 . . . . 15 LEU CD1 . 19154 1 180 . 1 1 15 15 LEU CD2 C 13 23.1000 . . 2 . . . . 15 LEU CD2 . 19154 1 stop_ save_