data_17556 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17556 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments of the yPEPmin fragment of Rsa1p ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-30 _Entry.Accession_date 2011-03-30 _Entry.Last_release_date 2014-04-23 _Entry.Original_release_date 2014-04-23 _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 Marc Quinternet . . . 17556 2 Regis Back . . . 17556 3 Christiane Branlant . . . 17556 4 Xavier Manival . . . 17556 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17556 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 56 17556 '15N chemical shifts' 14 17556 '1H chemical shifts' 116 17556 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 . . 2014-04-23 2011-03-30 original author . 17556 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17556 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24234454 _Citation.Full_citation . _Citation.Title 'Characterization of the interaction between protein Snu13p/15.5K and the Rsa1p/NUFIP factor and demonstration of its functional importance for snoRNP assembly.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 42 _Citation.Journal_issue 3 _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 2015 _Citation.Page_last 2036 _Citation.Year 2014 _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 Benjamin Rothe . . . 17556 1 2 Regis Back . . . 17556 1 3 Marc Quinternet . . . 17556 1 4 Jonathan Bizarro . . . 17556 1 5 Marie-Cecile Robert . . . 17556 1 6 Magali Blaud . . . 17556 1 7 Christophe Romier . . . 17556 1 8 Xavier Manival . . . 17556 1 9 Bruno Charpentier . . . 17556 1 10 Edouard Bertrand . . . 17556 1 11 Christiane Branlant . . . 17556 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17556 _Assembly.ID 1 _Assembly.Name 'yPEPmin of Rsa1p' _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 yPEPmin 1 $yPEPmin_of_Rsa1p A . no native no no . . . 17556 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_yPEPmin_of_Rsa1p _Entity.Sf_category entity _Entity.Sf_framecode yPEPmin_of_Rsa1p _Entity.Entry_ID 17556 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name yPEPmin_of_Rsa1p _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 TDEDVKKWREERKKM _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 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 1 no BMRB 18959 . Rsa1p238-259 . . . . . 100.00 22 100.00 100.00 7.85e+00 . . . . 17556 1 2 no PDB 2M3F . "Nmr Structure Of Rsa1p238-259 From S. Cerevisiae" . . . . . 100.00 22 100.00 100.00 7.85e+00 . . . . 17556 1 3 no PDB 4NUT . "Crystal Structure Of The Complex Between Snu13p And The Pep Domain Of Rsa1" . . . . . 100.00 57 100.00 100.00 5.17e+00 . . . . 17556 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 . THR . 17556 1 2 . ASP . 17556 1 3 . GLU . 17556 1 4 . ASP . 17556 1 5 . VAL . 17556 1 6 . LYS . 17556 1 7 . LYS . 17556 1 8 . TRP . 17556 1 9 . ARG . 17556 1 10 . GLU . 17556 1 11 . GLU . 17556 1 12 . ARG . 17556 1 13 . LYS . 17556 1 14 . LYS . 17556 1 15 . MET . 17556 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 . THR 1 1 17556 1 . ASP 2 2 17556 1 . GLU 3 3 17556 1 . ASP 4 4 17556 1 . VAL 5 5 17556 1 . LYS 6 6 17556 1 . LYS 7 7 17556 1 . TRP 8 8 17556 1 . ARG 9 9 17556 1 . GLU 10 10 17556 1 . GLU 11 11 17556 1 . ARG 12 12 17556 1 . LYS 13 13 17556 1 . LYS 14 14 17556 1 . MET 15 15 17556 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 17556 _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 $yPEPmin_of_Rsa1p . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . 'chemical synthesis' . . 17556 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 17556 _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 $yPEPmin_of_Rsa1p . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17556 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17556 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'yPEPmin of Rsa1p' 'natural abundance' . . 1 $yPEPmin_of_Rsa1p . . 3 . . mM 0.1 . . . 17556 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17556 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17556 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17556 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17556 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 17556 _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' 150 . mM 17556 1 pH 6.4 . pH 17556 1 pressure 1 . atm 17556 1 temperature 293 . K 17556 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17556 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17556 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17556 1 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 17556 _Software.ID 2 _Software.Name CNSSOLVE _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' . . 17556 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17556 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17556 _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' . . 17556 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17556 3 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 17556 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17556 _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 . . . 17556 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 17556 _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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17556 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17556 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17556 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17556 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17556 1 6 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17556 1 7 '2D 1H-13C HSQC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17556 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 17556 _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 1.0 . . . . . . . . . 17556 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 17556 _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-15N HSQC' . . . 17556 1 2 '2D 1H-13C HSQC aliphatic' . . . 17556 1 3 '2D 1H-13C HSQC aromatic' . . . 17556 1 4 '2D 1H-1H NOESY' . . . 17556 1 5 '2D 1H-1H TOCSY' . . . 17556 1 6 '2D DQF-COSY' . . . 17556 1 7 '2D 1H-13C HSQC-TOCSY' . . . 17556 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 THR HA H 1 3.806 0.010 . 1 . . . . 1 THR HA . 17556 1 2 . 1 1 1 1 THR HB H 1 4.133 0.010 . 1 . . . . 1 THR HB . 17556 1 3 . 1 1 1 1 THR HG21 H 1 1.165 0.010 . 1 . . . . 1 THR HG2 . 17556 1 4 . 1 1 1 1 THR HG22 H 1 1.165 0.010 . 1 . . . . 1 THR HG2 . 17556 1 5 . 1 1 1 1 THR HG23 H 1 1.165 0.010 . 1 . . . . 1 THR HG2 . 17556 1 6 . 1 1 1 1 THR CA C 13 58.375 0.020 . 1 . . . . 1 THR CA . 17556 1 7 . 1 1 1 1 THR CB C 13 66.425 0.020 . 1 . . . . 1 THR CB . 17556 1 8 . 1 1 1 1 THR CG2 C 13 18.684 0.020 . 1 . . . . 1 THR CG2 . 17556 1 9 . 1 1 2 2 ASP HA H 1 4.442 0.010 . 1 . . . . 2 ASP HA . 17556 1 10 . 1 1 2 2 ASP HB2 H 1 2.465 0.010 . 1 . . . . 2 ASP HB2 . 17556 1 11 . 1 1 2 2 ASP HB3 H 1 2.592 0.010 . 1 . . . . 2 ASP HB3 . 17556 1 12 . 1 1 2 2 ASP CA C 13 52.591 0.020 . 1 . . . . 2 ASP CA . 17556 1 13 . 1 1 2 2 ASP CB C 13 37.969 0.020 . 1 . . . . 2 ASP CB . 17556 1 14 . 1 1 3 3 GLU H H 1 8.440 0.010 . 1 . . . . 3 GLU H . 17556 1 15 . 1 1 3 3 GLU HA H 1 3.987 0.010 . 1 . . . . 3 GLU HA . 17556 1 16 . 1 1 3 3 GLU HB2 H 1 1.845 0.010 . 1 . . . . 3 GLU HB2 . 17556 1 17 . 1 1 3 3 GLU HB3 H 1 1.778 0.010 . 1 . . . . 3 GLU HB3 . 17556 1 18 . 1 1 3 3 GLU HG2 H 1 2.117 0.010 . 2 . . . . 3 GLU HG . 17556 1 19 . 1 1 3 3 GLU HG3 H 1 2.117 0.010 . 2 . . . . 3 GLU HG . 17556 1 20 . 1 1 3 3 GLU CA C 13 55.002 0.020 . 1 . . . . 3 GLU CA . 17556 1 21 . 1 1 3 3 GLU CB C 13 27.154 0.020 . 1 . . . . 3 GLU CB . 17556 1 22 . 1 1 3 3 GLU CG C 13 33.453 0.020 . 1 . . . . 3 GLU CG . 17556 1 23 . 1 1 3 3 GLU N N 15 120.879 0.020 . 1 . . . . 3 GLU N . 17556 1 24 . 1 1 4 4 ASP H H 1 8.118 0.010 . 1 . . . . 4 ASP H . 17556 1 25 . 1 1 4 4 ASP HA H 1 4.349 0.010 . 1 . . . . 4 ASP HA . 17556 1 26 . 1 1 4 4 ASP HB2 H 1 2.497 0.010 . 2 . . . . 4 ASP HB . 17556 1 27 . 1 1 4 4 ASP HB3 H 1 2.497 0.010 . 2 . . . . 4 ASP HB . 17556 1 28 . 1 1 4 4 ASP CA C 13 52.377 0.020 . 1 . . . . 4 ASP CA . 17556 1 29 . 1 1 4 4 ASP CB C 13 38.129 0.020 . 1 . . . . 4 ASP CB . 17556 1 30 . 1 1 4 4 ASP N N 15 120.776 0.020 . 1 . . . . 4 ASP N . 17556 1 31 . 1 1 5 5 VAL H H 1 7.744 0.010 . 1 . . . . 5 VAL H . 17556 1 32 . 1 1 5 5 VAL HA H 1 3.761 0.010 . 1 . . . . 5 VAL HA . 17556 1 33 . 1 1 5 5 VAL HB H 1 1.963 0.010 . 1 . . . . 5 VAL HB . 17556 1 34 . 1 1 5 5 VAL HG11 H 1 0.806 0.010 . 2 . . . . 5 VAL HG1 . 17556 1 35 . 1 1 5 5 VAL HG12 H 1 0.806 0.010 . 2 . . . . 5 VAL HG1 . 17556 1 36 . 1 1 5 5 VAL HG13 H 1 0.806 0.010 . 2 . . . . 5 VAL HG1 . 17556 1 37 . 1 1 5 5 VAL HG21 H 1 0.773 0.010 . 2 . . . . 5 VAL HG2 . 17556 1 38 . 1 1 5 5 VAL HG22 H 1 0.773 0.010 . 2 . . . . 5 VAL HG2 . 17556 1 39 . 1 1 5 5 VAL HG23 H 1 0.773 0.010 . 2 . . . . 5 VAL HG2 . 17556 1 40 . 1 1 5 5 VAL CA C 13 60.909 0.020 . 1 . . . . 5 VAL CA . 17556 1 41 . 1 1 5 5 VAL CB C 13 29.427 0.020 . 1 . . . . 5 VAL CB . 17556 1 42 . 1 1 5 5 VAL CG1 C 13 18.142 0.020 . 1 . . . . 5 VAL CG1 . 17556 1 43 . 1 1 5 5 VAL CG2 C 13 18.361 0.020 . 1 . . . . 5 VAL CG2 . 17556 1 44 . 1 1 5 5 VAL N N 15 120.329 0.020 . 1 . . . . 5 VAL N . 17556 1 45 . 1 1 6 6 LYS H H 1 8.014 0.010 . 1 . . . . 6 LYS H . 17556 1 46 . 1 1 6 6 LYS HA H 1 3.968 0.010 . 1 . . . . 6 LYS HA . 17556 1 47 . 1 1 6 6 LYS HB2 H 1 1.597 0.010 . 2 . . . . 6 LYS HB . 17556 1 48 . 1 1 6 6 LYS HB3 H 1 1.597 0.010 . 2 . . . . 6 LYS HB . 17556 1 49 . 1 1 6 6 LYS HG2 H 1 1.190 0.010 . 1 . . . . 6 LYS HG2 . 17556 1 50 . 1 1 6 6 LYS HG3 H 1 1.280 0.010 . 1 . . . . 6 LYS HG3 . 17556 1 51 . 1 1 6 6 LYS HD2 H 1 1.468 0.010 . 2 . . . . 6 LYS HD . 17556 1 52 . 1 1 6 6 LYS HD3 H 1 1.468 0.010 . 2 . . . . 6 LYS HD . 17556 1 53 . 1 1 6 6 LYS HE2 H 1 2.759 0.010 . 2 . . . . 6 LYS HE . 17556 1 54 . 1 1 6 6 LYS HE3 H 1 2.759 0.010 . 2 . . . . 6 LYS HE . 17556 1 55 . 1 1 6 6 LYS CA C 13 54.779 0.020 . 1 . . . . 6 LYS CA . 17556 1 56 . 1 1 6 6 LYS CB C 13 29.679 0.020 . 1 . . . . 6 LYS CB . 17556 1 57 . 1 1 6 6 LYS CG C 13 22.183 0.020 . 1 . . . . 6 LYS CG . 17556 1 58 . 1 1 6 6 LYS CD C 13 26.317 0.020 . 1 . . . . 6 LYS CD . 17556 1 59 . 1 1 6 6 LYS CE C 13 39.133 0.020 . 1 . . . . 6 LYS CE . 17556 1 60 . 1 1 6 6 LYS N N 15 122.563 0.020 . 1 . . . . 6 LYS N . 17556 1 61 . 1 1 7 7 LYS H H 1 7.857 0.010 . 1 . . . . 7 LYS H . 17556 1 62 . 1 1 7 7 LYS HA H 1 4.014 0.010 . 1 . . . . 7 LYS HA . 17556 1 63 . 1 1 7 7 LYS HB2 H 1 1.586 0.010 . 2 . . . . 7 LYS HB . 17556 1 64 . 1 1 7 7 LYS HB3 H 1 1.586 0.010 . 2 . . . . 7 LYS HB . 17556 1 65 . 1 1 7 7 LYS HG2 H 1 1.121 0.010 . 1 . . . . 7 LYS HG2 . 17556 1 66 . 1 1 7 7 LYS HG3 H 1 1.201 0.010 . 1 . . . . 7 LYS HG3 . 17556 1 67 . 1 1 7 7 LYS HD2 H 1 1.451 0.010 . 2 . . . . 7 LYS HD . 17556 1 68 . 1 1 7 7 LYS HD3 H 1 1.451 0.010 . 2 . . . . 7 LYS HD . 17556 1 69 . 1 1 7 7 LYS HE2 H 1 2.761 0.010 . 2 . . . . 7 LYS HE . 17556 1 70 . 1 1 7 7 LYS HE3 H 1 2.761 0.010 . 2 . . . . 7 LYS HE . 17556 1 71 . 1 1 7 7 LYS CA C 13 54.538 0.020 . 1 . . . . 7 LYS CA . 17556 1 72 . 1 1 7 7 LYS CB C 13 29.830 0.020 . 1 . . . . 7 LYS CB . 17556 1 73 . 1 1 7 7 LYS CG C 13 21.909 0.020 . 1 . . . . 7 LYS CG . 17556 1 74 . 1 1 7 7 LYS N N 15 120.776 0.020 . 1 . . . . 7 LYS N . 17556 1 75 . 1 1 8 8 TRP H H 1 7.914 0.010 . 1 . . . . 8 TRP H . 17556 1 76 . 1 1 8 8 TRP HA H 1 4.417 0.010 . 1 . . . . 8 TRP HA . 17556 1 77 . 1 1 8 8 TRP HB2 H 1 3.146 0.010 . 2 . . . . 8 TRP HB . 17556 1 78 . 1 1 8 8 TRP HB3 H 1 3.146 0.010 . 2 . . . . 8 TRP HB . 17556 1 79 . 1 1 8 8 TRP HD1 H 1 7.100 0.010 . 1 . . . . 8 TRP HD1 . 17556 1 80 . 1 1 8 8 TRP HE1 H 1 10.038 0.010 . 1 . . . . 8 TRP HE1 . 17556 1 81 . 1 1 8 8 TRP HE3 H 1 7.440 0.010 . 1 . . . . 8 TRP HE3 . 17556 1 82 . 1 1 8 8 TRP HZ2 H 1 7.326 0.010 . 1 . . . . 8 TRP HZ2 . 17556 1 83 . 1 1 8 8 TRP HZ3 H 1 6.976 0.010 . 1 . . . . 8 TRP HZ3 . 17556 1 84 . 1 1 8 8 TRP HH2 H 1 7.066 0.010 . 1 . . . . 8 TRP HH2 . 17556 1 85 . 1 1 8 8 TRP CA C 13 55.368 0.020 . 1 . . . . 8 TRP CA . 17556 1 86 . 1 1 8 8 TRP CB C 13 26.566 0.020 . 1 . . . . 8 TRP CB . 17556 1 87 . 1 1 8 8 TRP CD1 C 13 124.270 0.020 . 1 . . . . 8 TRP CD1 . 17556 1 88 . 1 1 8 8 TRP CE3 C 13 118.075 0.020 . 1 . . . . 8 TRP CE3 . 17556 1 89 . 1 1 8 8 TRP CZ2 C 13 111.712 0.020 . 1 . . . . 8 TRP CZ2 . 17556 1 90 . 1 1 8 8 TRP CZ3 C 13 119.200 0.020 . 1 . . . . 8 TRP CZ3 . 17556 1 91 . 1 1 8 8 TRP CH2 C 13 121.711 0.020 . 1 . . . . 8 TRP CH2 . 17556 1 92 . 1 1 8 8 TRP N N 15 121.085 0.020 . 1 . . . . 8 TRP N . 17556 1 93 . 1 1 8 8 TRP NE1 N 15 129.314 0.020 . 1 . . . . 8 TRP NE1 . 17556 1 94 . 1 1 9 9 ARG H H 1 7.869 0.010 . 1 . . . . 9 ARG H . 17556 1 95 . 1 1 9 9 ARG HA H 1 3.923 0.010 . 1 . . . . 9 ARG HA . 17556 1 96 . 1 1 9 9 ARG HB2 H 1 1.539 0.010 . 1 . . . . 9 ARG HB2 . 17556 1 97 . 1 1 9 9 ARG HB3 H 1 1.614 0.010 . 1 . . . . 9 ARG HB3 . 17556 1 98 . 1 1 9 9 ARG HG2 H 1 1.318 0.010 . 1 . . . . 9 ARG HG2 . 17556 1 99 . 1 1 9 9 ARG HG3 H 1 1.393 0.010 . 1 . . . . 9 ARG HG3 . 17556 1 100 . 1 1 9 9 ARG HD2 H 1 2.964 0.010 . 2 . . . . 9 ARG HD . 17556 1 101 . 1 1 9 9 ARG HD3 H 1 2.964 0.010 . 2 . . . . 9 ARG HD . 17556 1 102 . 1 1 9 9 ARG HE H 1 7.100 0.010 . 1 . . . . 9 ARG HE . 17556 1 103 . 1 1 9 9 ARG CA C 13 54.086 0.020 . 1 . . . . 9 ARG CA . 17556 1 104 . 1 1 9 9 ARG CB C 13 28.156 0.020 . 1 . . . . 9 ARG CB . 17556 1 105 . 1 1 9 9 ARG CG C 13 24.424 0.020 . 1 . . . . 9 ARG CG . 17556 1 106 . 1 1 9 9 ARG CD C 13 40.637 0.020 . 1 . . . . 9 ARG CD . 17556 1 107 . 1 1 9 9 ARG N N 15 121.395 0.020 . 1 . . . . 9 ARG N . 17556 1 108 . 1 1 10 10 GLU H H 1 8.004 0.010 . 1 . . . . 10 GLU H . 17556 1 109 . 1 1 10 10 GLU HA H 1 3.964 0.010 . 1 . . . . 10 GLU HA . 17556 1 110 . 1 1 10 10 GLU HB2 H 1 1.811 0.010 . 1 . . . . 10 GLU HB2 . 17556 1 111 . 1 1 10 10 GLU HB3 H 1 1.858 0.010 . 1 . . . . 10 GLU HB3 . 17556 1 112 . 1 1 10 10 GLU HG2 H 1 2.094 0.010 . 1 . . . . 10 GLU HG2 . 17556 1 113 . 1 1 10 10 GLU HG3 H 1 2.129 0.010 . 1 . . . . 10 GLU HG3 . 17556 1 114 . 1 1 10 10 GLU CA C 13 54.152 0.020 . 1 . . . . 10 GLU CA . 17556 1 115 . 1 1 10 10 GLU CB C 13 27.375 0.020 . 1 . . . . 10 GLU CB . 17556 1 116 . 1 1 10 10 GLU CG C 13 33.431 0.020 . 1 . . . . 10 GLU CG . 17556 1 117 . 1 1 10 10 GLU N N 15 120.828 0.020 . 1 . . . . 10 GLU N . 17556 1 118 . 1 1 11 11 GLU H H 1 8.225 0.010 . 1 . . . . 11 GLU H . 17556 1 119 . 1 1 11 11 GLU HA H 1 4.045 0.010 . 1 . . . . 11 GLU HA . 17556 1 120 . 1 1 11 11 GLU HB2 H 1 1.812 0.010 . 1 . . . . 11 GLU HB2 . 17556 1 121 . 1 1 11 11 GLU HB3 H 1 1.858 0.010 . 1 . . . . 11 GLU HB3 . 17556 1 122 . 1 1 11 11 GLU HG2 H 1 2.084 0.010 . 1 . . . . 11 GLU HG2 . 17556 1 123 . 1 1 11 11 GLU HG3 H 1 2.150 0.010 . 1 . . . . 11 GLU HG3 . 17556 1 124 . 1 1 11 11 GLU CA C 13 54.117 0.020 . 1 . . . . 11 GLU CA . 17556 1 125 . 1 1 11 11 GLU CB C 13 27.413 0.020 . 1 . . . . 11 GLU CB . 17556 1 126 . 1 1 11 11 GLU CG C 13 33.404 0.020 . 1 . . . . 11 GLU CG . 17556 1 127 . 1 1 11 11 GLU N N 15 121.945 0.020 . 1 . . . . 11 GLU N . 17556 1 128 . 1 1 12 12 ARG H H 1 8.084 0.010 . 1 . . . . 12 ARG H . 17556 1 129 . 1 1 12 12 ARG HA H 1 4.089 0.010 . 1 . . . . 12 ARG HA . 17556 1 130 . 1 1 12 12 ARG HB2 H 1 1.541 0.010 . 1 . . . . 12 ARG HB2 . 17556 1 131 . 1 1 12 12 ARG HB3 H 1 1.636 0.010 . 1 . . . . 12 ARG HB3 . 17556 1 132 . 1 1 12 12 ARG HG2 H 1 1.406 0.010 . 2 . . . . 12 ARG HG . 17556 1 133 . 1 1 12 12 ARG HG3 H 1 1.406 0.010 . 2 . . . . 12 ARG HG . 17556 1 134 . 1 1 12 12 ARG HD2 H 1 2.897 0.010 . 2 . . . . 12 ARG HD . 17556 1 135 . 1 1 12 12 ARG HD3 H 1 2.897 0.010 . 2 . . . . 12 ARG HD . 17556 1 136 . 1 1 12 12 ARG HE H 1 7.022 0.010 . 1 . . . . 12 ARG HE . 17556 1 137 . 1 1 12 12 ARG CA C 13 53.379 0.020 . 1 . . . . 12 ARG CA . 17556 1 138 . 1 1 12 12 ARG CB C 13 27.757 0.020 . 1 . . . . 12 ARG CB . 17556 1 139 . 1 1 12 12 ARG CG C 13 24.195 0.020 . 1 . . . . 12 ARG CG . 17556 1 140 . 1 1 12 12 ARG CD C 13 40.428 0.020 . 1 . . . . 12 ARG CD . 17556 1 141 . 1 1 12 12 ARG N N 15 121.670 0.020 . 1 . . . . 12 ARG N . 17556 1 142 . 1 1 13 13 LYS H H 1 8.072 0.010 . 1 . . . . 13 LYS H . 17556 1 143 . 1 1 13 13 LYS HA H 1 4.089 0.010 . 1 . . . . 13 LYS HA . 17556 1 144 . 1 1 13 13 LYS HB2 H 1 1.592 0.010 . 1 . . . . 13 LYS HB2 . 17556 1 145 . 1 1 13 13 LYS HB3 H 1 1.660 0.010 . 1 . . . . 13 LYS HB3 . 17556 1 146 . 1 1 13 13 LYS HG2 H 1 1.257 0.010 . 2 . . . . 13 LYS HG . 17556 1 147 . 1 1 13 13 LYS HG3 H 1 1.257 0.010 . 2 . . . . 13 LYS HG . 17556 1 148 . 1 1 13 13 LYS HD2 H 1 1.519 0.010 . 2 . . . . 13 LYS HD . 17556 1 149 . 1 1 13 13 LYS HD3 H 1 1.519 0.010 . 2 . . . . 13 LYS HD . 17556 1 150 . 1 1 13 13 LYS HE2 H 1 2.812 0.010 . 2 . . . . 13 LYS HE . 17556 1 151 . 1 1 13 13 LYS HE3 H 1 2.812 0.010 . 2 . . . . 13 LYS HE . 17556 1 152 . 1 1 13 13 LYS CA C 13 53.734 0.020 . 1 . . . . 13 LYS CA . 17556 1 153 . 1 1 13 13 LYS CB C 13 30.260 0.020 . 1 . . . . 13 LYS CB . 17556 1 154 . 1 1 13 13 LYS CG C 13 21.942 0.020 . 1 . . . . 13 LYS CG . 17556 1 155 . 1 1 13 13 LYS CD C 13 26.277 0.020 . 1 . . . . 13 LYS CD . 17556 1 156 . 1 1 13 13 LYS N N 15 122.426 0.020 . 1 . . . . 13 LYS N . 17556 1 157 . 1 1 14 14 LYS H H 1 8.161 0.010 . 1 . . . . 14 LYS H . 17556 1 158 . 1 1 14 14 LYS HA H 1 4.129 0.010 . 1 . . . . 14 LYS HA . 17556 1 159 . 1 1 14 14 LYS HB2 H 1 1.581 0.010 . 1 . . . . 14 LYS HB2 . 17556 1 160 . 1 1 14 14 LYS HB3 H 1 1.695 0.010 . 1 . . . . 14 LYS HB3 . 17556 1 161 . 1 1 14 14 LYS HG2 H 1 1.273 0.010 . 2 . . . . 14 LYS HG . 17556 1 162 . 1 1 14 14 LYS HG3 H 1 1.273 0.010 . 2 . . . . 14 LYS HG . 17556 1 163 . 1 1 14 14 LYS HD2 H 1 1.514 0.010 . 2 . . . . 14 LYS HD . 17556 1 164 . 1 1 14 14 LYS HD3 H 1 1.514 0.010 . 2 . . . . 14 LYS HD . 17556 1 165 . 1 1 14 14 LYS HE2 H 1 2.818 0.010 . 2 . . . . 14 LYS HE . 17556 1 166 . 1 1 14 14 LYS HE3 H 1 2.818 0.010 . 2 . . . . 14 LYS HE . 17556 1 167 . 1 1 14 14 LYS CA C 13 53.636 0.020 . 1 . . . . 14 LYS CA . 17556 1 168 . 1 1 14 14 LYS CB C 13 30.142 0.020 . 1 . . . . 14 LYS CB . 17556 1 169 . 1 1 14 14 LYS CG C 13 21.921 0.020 . 1 . . . . 14 LYS CG . 17556 1 170 . 1 1 14 14 LYS CD C 13 26.277 0.020 . 1 . . . . 14 LYS CD . 17556 1 171 . 1 1 14 14 LYS CE C 13 39.192 0.020 . 1 . . . . 14 LYS CE . 17556 1 172 . 1 1 14 14 LYS N N 15 123.148 0.020 . 1 . . . . 14 LYS N . 17556 1 173 . 1 1 15 15 MET H H 1 7.846 0.010 . 1 . . . . 15 MET H . 17556 1 174 . 1 1 15 15 MET HA H 1 4.110 0.010 . 1 . . . . 15 MET HA . 17556 1 175 . 1 1 15 15 MET HB2 H 1 1.779 0.010 . 1 . . . . 15 MET HB2 . 17556 1 176 . 1 1 15 15 MET HB3 H 1 1.929 0.010 . 1 . . . . 15 MET HB3 . 17556 1 177 . 1 1 15 15 MET HG2 H 1 2.330 0.010 . 1 . . . . 15 MET HG2 . 17556 1 178 . 1 1 15 15 MET HG3 H 1 2.381 0.010 . 1 . . . . 15 MET HG3 . 17556 1 179 . 1 1 15 15 MET HE1 H 1 1.919 0.010 . 1 . . . . 15 MET HE . 17556 1 180 . 1 1 15 15 MET HE2 H 1 1.919 0.010 . 1 . . . . 15 MET HE . 17556 1 181 . 1 1 15 15 MET HE3 H 1 1.919 0.010 . 1 . . . . 15 MET HE . 17556 1 182 . 1 1 15 15 MET CA C 13 54.243 0.020 . 1 . . . . 15 MET CA . 17556 1 183 . 1 1 15 15 MET CB C 13 30.993 0.020 . 1 . . . . 15 MET CB . 17556 1 184 . 1 1 15 15 MET CG C 13 29.594 0.020 . 1 . . . . 15 MET CG . 17556 1 185 . 1 1 15 15 MET CE C 13 14.126 0.020 . 1 . . . . 15 MET CE . 17556 1 186 . 1 1 15 15 MET N N 15 127.272 0.020 . 1 . . . . 15 MET N . 17556 1 stop_ save_