data_17889 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17889 _Entry.Title ; The polyserine tract of Nasonia vitripennis Vg residues 351-385 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-29 _Entry.Accession_date 2011-08-29 _Entry.Last_release_date 2012-05-22 _Entry.Original_release_date 2012-05-22 _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 Heli Havukainen . . . 17889 2 Oyvind Halskau . . Jr. 17889 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' . 17889 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 17889 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17889 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 37 17889 '1H chemical shifts' 222 17889 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 . . 2012-05-22 2011-08-29 original author . 17889 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LID 'BMRB Entry Tracking System' 17889 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17889 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22573762 _Citation.Full_citation . _Citation.Title 'A vitellogenin polyserine cleavage site: highly disordered conformation protected from proteolysis by phosphorylation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Exp. Biol.' _Citation.Journal_name_full 'The Journal of experimental biology' _Citation.Journal_volume 215 _Citation.Journal_issue 11 _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 1837 _Citation.Page_last 1846 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Heli Havukainen . . . 17889 1 2 Jarl Underhaug . . . 17889 1 3 Florian Wolschin . . . 17889 1 4 Gro Amdam . . . 17889 1 5 Oyvind Halskau . . . 17889 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17889 _Assembly.ID 1 _Assembly.Name NvVg _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 NvVg 1 $NvVg A . yes native no no . . . 17889 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NvVg _Entity.Sf_category entity _Entity.Sf_framecode NvVg _Entity.Entry_ID 17889 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NvVg _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 ; EHKHSDESTSESFESIADNN DDSYFQRKPKLTEAP ; _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 35 _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 4046.233 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2LID . "The Polyserine Tract Of Nasonia Vitripennis Vg Residues 351-385" . . . . . 100.00 35 97.14 97.14 1.13e-14 . . . . 17889 1 no REF XP_001607388 . "PREDICTED: vitellogenin [Nasonia vitripennis]" . . . . . 100.00 1799 97.14 100.00 2.77e-06 . . . . 17889 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 . GLU . 17889 1 2 . HIS . 17889 1 3 . LYS . 17889 1 4 . HIS . 17889 1 5 . SER . 17889 1 6 . ASP . 17889 1 7 . GLU . 17889 1 8 . SER . 17889 1 9 . THR . 17889 1 10 . SER . 17889 1 11 . GLU . 17889 1 12 . SER . 17889 1 13 . PHE . 17889 1 14 . GLU . 17889 1 15 . SER . 17889 1 16 . ILE . 17889 1 17 . ALA . 17889 1 18 . ASP . 17889 1 19 . ASN . 17889 1 20 . ASN . 17889 1 21 . ASP . 17889 1 22 . ASP . 17889 1 23 . SER . 17889 1 24 . TYR . 17889 1 25 . PHE . 17889 1 26 . GLN . 17889 1 27 . ARG . 17889 1 28 . LYS . 17889 1 29 . PRO . 17889 1 30 . LYS . 17889 1 31 . LEU . 17889 1 32 . THR . 17889 1 33 . GLU . 17889 1 34 . ALA . 17889 1 35 . PRO . 17889 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 . GLU 1 1 17889 1 . HIS 2 2 17889 1 . LYS 3 3 17889 1 . HIS 4 4 17889 1 . SER 5 5 17889 1 . ASP 6 6 17889 1 . GLU 7 7 17889 1 . SER 8 8 17889 1 . THR 9 9 17889 1 . SER 10 10 17889 1 . GLU 11 11 17889 1 . SER 12 12 17889 1 . PHE 13 13 17889 1 . GLU 14 14 17889 1 . SER 15 15 17889 1 . ILE 16 16 17889 1 . ALA 17 17 17889 1 . ASP 18 18 17889 1 . ASN 19 19 17889 1 . ASN 20 20 17889 1 . ASP 21 21 17889 1 . ASP 22 22 17889 1 . SER 23 23 17889 1 . TYR 24 24 17889 1 . PHE 25 25 17889 1 . GLN 26 26 17889 1 . ARG 27 27 17889 1 . LYS 28 28 17889 1 . PRO 29 29 17889 1 . LYS 30 30 17889 1 . LEU 31 31 17889 1 . THR 32 32 17889 1 . GLU 33 33 17889 1 . ALA 34 34 17889 1 . PRO 35 35 17889 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 17889 _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 $NvVg . 7425 organism . 'Nasonia vitripennis' 'Jewel Wasp' . . Eukaryota Metazoa Nasonia vitripennis . . . . . . . . . . . . . . . . . . . . . 17889 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 17889 _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 $NvVg . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17889 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17889 _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 NvVg [U-15N]-ILE . . 1 $NvVg . . 20 . . w/v . . . . 17889 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17889 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17889 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17889 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17889 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 17889 _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' 0.06 . M 17889 1 pH 6.7 . pH 17889 1 pressure 1 . atm 17889 1 temperature 273 . K 17889 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17889 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17889 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17889 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 17889 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AV600 _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 17889 _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 AV600 . 600 . . . 17889 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 17889 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17889 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17889 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17889 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 17889 _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 0.00 internal direct 1.000000000 . . . . . . . . . 17889 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . . . . . 17889 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 17889 _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' . . . 17889 1 2 '2D 1H-1H NOESY' . . . 17889 1 3 '2D 1H-15N HSQC' . . . 17889 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 GLU HA H 1 4.272 0.002 . 1 . . . A 1 GLU HA . 17889 1 2 . 1 1 1 1 GLU HB2 H 1 1.988 0.002 . 1 . . . A 1 GLU HB2 . 17889 1 3 . 1 1 1 1 GLU HB3 H 1 1.855 0.001 . 1 . . . A 1 GLU HB3 . 17889 1 4 . 1 1 1 1 GLU HG2 H 1 2.274 0.004 . 1 . . . A 1 GLU HG2 . 17889 1 5 . 1 1 1 1 GLU HG3 H 1 2.274 0.004 . 1 . . . A 1 GLU HG3 . 17889 1 6 . 1 1 1 1 GLU H H 1 8.280 0.002 . 1 . . . A 1 GLU H1 . 17889 1 7 . 1 1 1 1 GLU N N 15 122.285 0.000 . 1 . . . A 1 GLU N . 17889 1 8 . 1 1 2 2 HIS H H 1 8.959 0.001 . 1 . . . A 2 HIS H . 17889 1 9 . 1 1 2 2 HIS HA H 1 4.653 0.003 . 1 . . . A 2 HIS HA . 17889 1 10 . 1 1 2 2 HIS HB2 H 1 3.091 0.005 . 1 . . . A 2 HIS HB2 . 17889 1 11 . 1 1 2 2 HIS HB3 H 1 3.136 0.003 . 1 . . . A 2 HIS HB3 . 17889 1 12 . 1 1 2 2 HIS HD2 H 1 8.501 0.001 . 1 . . . A 2 HIS HD2 . 17889 1 13 . 1 1 2 2 HIS HE1 H 1 7.193 0.001 . 1 . . . A 2 HIS HE1 . 17889 1 14 . 1 1 2 2 HIS N N 15 121.309 0.000 . 1 . . . A 2 HIS N . 17889 1 15 . 1 1 3 3 LYS H H 1 8.533 0.001 . 1 . . . A 3 LYS H . 17889 1 16 . 1 1 3 3 LYS HA H 1 4.195 0.000 . 1 . . . A 3 LYS HA . 17889 1 17 . 1 1 3 3 LYS HB2 H 1 1.658 0.004 . 1 . . . A 3 LYS HB2 . 17889 1 18 . 1 1 3 3 LYS HB3 H 1 1.658 0.004 . 1 . . . A 3 LYS HB3 . 17889 1 19 . 1 1 3 3 LYS HG2 H 1 1.304 0.005 . 1 . . . A 3 LYS HG2 . 17889 1 20 . 1 1 3 3 LYS HG3 H 1 1.261 0.004 . 1 . . . A 3 LYS HG3 . 17889 1 21 . 1 1 3 3 LYS HD2 H 1 1.627 0.011 . 1 . . . A 3 LYS HD2 . 17889 1 22 . 1 1 3 3 LYS HD3 H 1 1.627 0.011 . 1 . . . A 3 LYS HD3 . 17889 1 23 . 1 1 3 3 LYS HE2 H 1 2.885 0.005 . 1 . . . A 3 LYS HE2 . 17889 1 24 . 1 1 3 3 LYS HE3 H 1 2.885 0.005 . 1 . . . A 3 LYS HE3 . 17889 1 25 . 1 1 3 3 LYS N N 15 123.963 0.000 . 1 . . . A 3 LYS N . 17889 1 26 . 1 1 4 4 HIS H H 1 8.690 0.001 . 1 . . . A 4 HIS H . 17889 1 27 . 1 1 4 4 HIS HA H 1 4.606 0.001 . 1 . . . A 4 HIS HA . 17889 1 28 . 1 1 4 4 HIS HB2 H 1 3.136 0.003 . 1 . . . A 4 HIS HB2 . 17889 1 29 . 1 1 4 4 HIS HB3 H 1 3.171 0.002 . 1 . . . A 4 HIS HB3 . 17889 1 30 . 1 1 4 4 HIS HD2 H 1 8.512 0.000 . 1 . . . A 4 HIS HD2 . 17889 1 31 . 1 1 4 4 HIS HE1 H 1 7.224 0.002 . 1 . . . A 4 HIS HE1 . 17889 1 32 . 1 1 4 4 HIS N N 15 120.657 0.000 . 1 . . . A 4 HIS N . 17889 1 33 . 1 1 5 5 SER H H 1 8.375 0.001 . 1 . . . A 5 SER H . 17889 1 34 . 1 1 5 5 SER HA H 1 4.347 0.002 . 1 . . . A 5 SER HA . 17889 1 35 . 1 1 5 5 SER HB2 H 1 3.803 0.002 . 1 . . . A 5 SER HB2 . 17889 1 36 . 1 1 5 5 SER HB3 H 1 3.737 0.002 . 1 . . . A 5 SER HB3 . 17889 1 37 . 1 1 5 5 SER N N 15 117.522 0.000 . 1 . . . A 5 SER N . 17889 1 38 . 1 1 6 6 ASP H H 1 8.405 0.001 . 1 . . . A 6 ASP H . 17889 1 39 . 1 1 6 6 ASP HA H 1 4.569 0.002 . 1 . . . A 6 ASP HA . 17889 1 40 . 1 1 6 6 ASP HB2 H 1 2.641 0.000 . 1 . . . A 6 ASP HB2 . 17889 1 41 . 1 1 6 6 ASP HB3 H 1 2.696 0.001 . 1 . . . A 6 ASP HB3 . 17889 1 42 . 1 1 6 6 ASP N N 15 122.035 0.000 . 1 . . . A 6 ASP N . 17889 1 43 . 1 1 7 7 GLU H H 1 8.237 0.002 . 1 . . . A 7 GLU H . 17889 1 44 . 1 1 7 7 GLU HA H 1 4.273 0.001 . 1 . . . A 7 GLU HA . 17889 1 45 . 1 1 7 7 GLU HB2 H 1 1.990 0.002 . 1 . . . A 7 GLU HB2 . 17889 1 46 . 1 1 7 7 GLU HB3 H 1 1.861 0.005 . 1 . . . A 7 GLU HB3 . 17889 1 47 . 1 1 7 7 GLU HG2 H 1 2.274 0.003 . 1 . . . A 7 GLU HG2 . 17889 1 48 . 1 1 7 7 GLU HG3 H 1 2.274 0.003 . 1 . . . A 7 GLU HG3 . 17889 1 49 . 1 1 7 7 GLU N N 15 120.246 0.000 . 1 . . . A 7 GLU N . 17889 1 50 . 1 1 8 8 SER H H 1 8.193 0.003 . 1 . . . A 8 SER H . 17889 1 51 . 1 1 8 8 SER HA H 1 4.398 0.005 . 1 . . . A 8 SER HA . 17889 1 52 . 1 1 8 8 SER HB2 H 1 3.817 0.005 . 1 . . . A 8 SER HB2 . 17889 1 53 . 1 1 8 8 SER HB3 H 1 3.765 0.005 . 1 . . . A 8 SER HB3 . 17889 1 54 . 1 1 8 8 SER N N 15 117.720 0.000 . 1 . . . A 8 SER N . 17889 1 55 . 1 1 9 9 THR H H 1 8.051 0.003 . 1 . . . A 9 THR H . 17889 1 56 . 1 1 9 9 THR HA H 1 4.226 0.005 . 1 . . . A 9 THR HA . 17889 1 57 . 1 1 9 9 THR HB H 1 4.113 0.003 . 1 . . . A 9 THR HB . 17889 1 58 . 1 1 9 9 THR HG21 H 1 1.104 0.003 . 1 . . . A 9 THR HG21 . 17889 1 59 . 1 1 9 9 THR HG22 H 1 1.104 0.003 . 1 . . . A 9 THR HG22 . 17889 1 60 . 1 1 9 9 THR HG23 H 1 1.104 0.003 . 1 . . . A 9 THR HG23 . 17889 1 61 . 1 1 9 9 THR N N 15 115.050 0.000 . 1 . . . A 9 THR N . 17889 1 62 . 1 1 10 10 SER H H 1 8.276 0.002 . 1 . . . A 10 SER H . 17889 1 63 . 1 1 10 10 SER HA H 1 4.341 0.002 . 1 . . . A 10 SER HA . 17889 1 64 . 1 1 10 10 SER HB2 H 1 3.810 0.002 . 1 . . . A 10 SER HB2 . 17889 1 65 . 1 1 10 10 SER HB3 H 1 3.772 0.001 . 1 . . . A 10 SER HB3 . 17889 1 66 . 1 1 10 10 SER N N 15 116.587 0.000 . 1 . . . A 10 SER N . 17889 1 67 . 1 1 11 11 GLU H H 1 8.357 0.001 . 1 . . . A 11 GLU H . 17889 1 68 . 1 1 11 11 GLU HA H 1 4.269 0.001 . 1 . . . A 11 GLU HA . 17889 1 69 . 1 1 11 11 GLU HB2 H 1 1.950 0.002 . 1 . . . A 11 GLU HB2 . 17889 1 70 . 1 1 11 11 GLU HB3 H 1 1.834 0.003 . 1 . . . A 11 GLU HB3 . 17889 1 71 . 1 1 11 11 GLU HG2 H 1 2.275 0.002 . 1 . . . A 11 GLU HG2 . 17889 1 72 . 1 1 11 11 GLU HG3 H 1 2.275 0.002 . 1 . . . A 11 GLU HG3 . 17889 1 73 . 1 1 11 11 GLU N N 15 122.386 0.000 . 1 . . . A 11 GLU N . 17889 1 74 . 1 1 12 12 SER H H 1 8.406 0.001 . 1 . . . A 12 SEP HN . 17889 1 75 . 1 1 12 12 SER HA H 1 4.433 0.004 . 1 . . . A 12 SEP HA . 17889 1 76 . 1 1 12 12 SER HB2 H 1 3.992 0.001 . 1 . . . A 12 SEP HB2 . 17889 1 77 . 1 1 12 12 SER HB3 H 1 3.992 0.001 . 1 . . . A 12 SEP HB3 . 17889 1 78 . 1 1 12 12 SER N N 15 115.938 0.000 . 1 . . . A 12 SEP N . 17889 1 79 . 1 1 13 13 PHE H H 1 8.064 0.002 . 1 . . . A 13 PHE H . 17889 1 80 . 1 1 13 13 PHE HA H 1 4.482 0.001 . 1 . . . A 13 PHE HA . 17889 1 81 . 1 1 13 13 PHE HB2 H 1 3.001 0.002 . 1 . . . A 13 PHE HB2 . 17889 1 82 . 1 1 13 13 PHE HB3 H 1 3.001 0.002 . 1 . . . A 13 PHE HB3 . 17889 1 83 . 1 1 13 13 PHE HD1 H 1 7.132 0.005 . 1 . . . A 13 PHE HD1 . 17889 1 84 . 1 1 13 13 PHE HD2 H 1 7.132 0.005 . 1 . . . A 13 PHE HD2 . 17889 1 85 . 1 1 13 13 PHE HE1 H 1 7.235 0.003 . 1 . . . A 13 PHE HE1 . 17889 1 86 . 1 1 13 13 PHE HE2 H 1 7.235 0.003 . 1 . . . A 13 PHE HE2 . 17889 1 87 . 1 1 13 13 PHE HZ H 1 7.190 0.003 . 1 . . . A 13 PHE HZ . 17889 1 88 . 1 1 13 13 PHE N N 15 121.769 0.000 . 1 . . . A 13 PHE N . 17889 1 89 . 1 1 14 14 GLU H H 1 8.117 0.001 . 1 . . . A 14 GLU H . 17889 1 90 . 1 1 14 14 GLU HA H 1 4.190 0.002 . 1 . . . A 14 GLU HA . 17889 1 91 . 1 1 14 14 GLU HB2 H 1 1.942 0.003 . 1 . . . A 14 GLU HB2 . 17889 1 92 . 1 1 14 14 GLU HB3 H 1 1.843 0.004 . 1 . . . A 14 GLU HB3 . 17889 1 93 . 1 1 14 14 GLU HG2 H 1 2.232 0.001 . 1 . . . A 14 GLU HG2 . 17889 1 94 . 1 1 14 14 GLU HG3 H 1 2.232 0.001 . 1 . . . A 14 GLU HG3 . 17889 1 95 . 1 1 14 14 GLU N N 15 121.529 0.000 . 1 . . . A 14 GLU N . 17889 1 96 . 1 1 15 15 SER H H 1 8.114 0.001 . 1 . . . A 15 SER H . 17889 1 97 . 1 1 15 15 SER HA H 1 4.331 0.002 . 1 . . . A 15 SER HA . 17889 1 98 . 1 1 15 15 SER HB2 H 1 3.785 0.000 . 1 . . . A 15 SER HB2 . 17889 1 99 . 1 1 15 15 SER HB3 H 1 3.766 0.005 . 1 . . . A 15 SER HB3 . 17889 1 100 . 1 1 15 15 SER N N 15 116.705 0.000 . 1 . . . A 15 SER N . 17889 1 101 . 1 1 16 16 ILE H H 1 7.981 0.003 . 1 . . . A 16 ILE H . 17889 1 102 . 1 1 16 16 ILE HA H 1 4.061 0.001 . 1 . . . A 16 ILE HA . 17889 1 103 . 1 1 16 16 ILE HB H 1 1.770 0.002 . 1 . . . A 16 ILE HB . 17889 1 104 . 1 1 16 16 ILE HG12 H 1 1.352 0.003 . 1 . . . A 16 ILE HG12 . 17889 1 105 . 1 1 16 16 ILE HG13 H 1 1.067 0.004 . 1 . . . A 16 ILE HG13 . 17889 1 106 . 1 1 16 16 ILE HG21 H 1 0.751 0.002 . 1 . . . A 16 ILE HG21 . 17889 1 107 . 1 1 16 16 ILE HG22 H 1 0.751 0.002 . 1 . . . A 16 ILE HG22 . 17889 1 108 . 1 1 16 16 ILE HG23 H 1 0.751 0.002 . 1 . . . A 16 ILE HG23 . 17889 1 109 . 1 1 16 16 ILE HD11 H 1 0.801 0.002 . 1 . . . A 16 ILE HD11 . 17889 1 110 . 1 1 16 16 ILE HD12 H 1 0.801 0.002 . 1 . . . A 16 ILE HD12 . 17889 1 111 . 1 1 16 16 ILE HD13 H 1 0.801 0.002 . 1 . . . A 16 ILE HD13 . 17889 1 112 . 1 1 16 16 ILE N N 15 122.303 0.000 . 1 . . . A 16 ILE N . 17889 1 113 . 1 1 17 17 ALA H H 1 8.161 0.003 . 1 . . . A 17 ALA H . 17889 1 114 . 1 1 17 17 ALA HA H 1 4.183 0.002 . 1 . . . A 17 ALA HA . 17889 1 115 . 1 1 17 17 ALA HB1 H 1 1.253 0.002 . 1 . . . A 17 ALA HB1 . 17889 1 116 . 1 1 17 17 ALA HB2 H 1 1.253 0.002 . 1 . . . A 17 ALA HB2 . 17889 1 117 . 1 1 17 17 ALA HB3 H 1 1.253 0.002 . 1 . . . A 17 ALA HB3 . 17889 1 118 . 1 1 17 17 ALA N N 15 127.099 0.000 . 1 . . . A 17 ALA N . 17889 1 119 . 1 1 18 18 ASP H H 1 8.134 0.003 . 1 . . . A 18 ASP H . 17889 1 120 . 1 1 18 18 ASP HA H 1 4.515 0.003 . 1 . . . A 18 ASP HA . 17889 1 121 . 1 1 18 18 ASP HB2 H 1 2.619 0.004 . 1 . . . A 18 ASP HB2 . 17889 1 122 . 1 1 18 18 ASP HB3 H 1 2.695 0.004 . 1 . . . A 18 ASP HB3 . 17889 1 123 . 1 1 18 18 ASP N N 15 118.740 0.000 . 1 . . . A 18 ASP N . 17889 1 124 . 1 1 19 19 ASN H H 1 8.189 0.002 . 1 . . . A 19 ASN H . 17889 1 125 . 1 1 19 19 ASN HA H 1 4.565 0.003 . 1 . . . A 19 ASN HA . 17889 1 126 . 1 1 19 19 ASN HB2 H 1 2.654 0.008 . 1 . . . A 19 ASN HB2 . 17889 1 127 . 1 1 19 19 ASN HB3 H 1 2.708 0.006 . 1 . . . A 19 ASN HB3 . 17889 1 128 . 1 1 19 19 ASN HD21 H 1 6.778 0.001 . 1 . . . A 19 ASN HD21 . 17889 1 129 . 1 1 19 19 ASN HD22 H 1 7.468 0.002 . 1 . . . A 19 ASN HD22 . 17889 1 130 . 1 1 19 19 ASN N N 15 118.913 0.000 . 1 . . . A 19 ASN N . 17889 1 131 . 1 1 19 19 ASN ND2 N 15 112.642 0.007 . 1 . . . A 19 ASN ND2 . 17889 1 132 . 1 1 20 20 ASN H H 1 8.290 0.002 . 1 . . . A 20 ASN H . 17889 1 133 . 1 1 20 20 ASN HA H 1 4.593 0.003 . 1 . . . A 20 ASN HA . 17889 1 134 . 1 1 20 20 ASN HB2 H 1 2.671 0.003 . 1 . . . A 20 ASN HB2 . 17889 1 135 . 1 1 20 20 ASN HB3 H 1 2.730 0.005 . 1 . . . A 20 ASN HB3 . 17889 1 136 . 1 1 20 20 ASN HD21 H 1 6.794 0.003 . 1 . . . A 20 ASN HD21 . 17889 1 137 . 1 1 20 20 ASN HD22 H 1 7.500 0.002 . 1 . . . A 20 ASN HD22 . 17889 1 138 . 1 1 20 20 ASN N N 15 118.703 0.000 . 1 . . . A 20 ASN N . 17889 1 139 . 1 1 20 20 ASN ND2 N 15 112.967 0.005 . 1 . . . A 20 ASN ND2 . 17889 1 140 . 1 1 21 21 ASP H H 1 8.206 0.003 . 1 . . . A 21 ASP H . 17889 1 141 . 1 1 21 21 ASP HA H 1 4.548 0.002 . 1 . . . A 21 ASP HA . 17889 1 142 . 1 1 21 21 ASP HB2 H 1 2.672 0.007 . 1 . . . A 21 ASP HB2 . 17889 1 143 . 1 1 21 21 ASP HB3 H 1 2.727 0.002 . 1 . . . A 21 ASP HB3 . 17889 1 144 . 1 1 21 21 ASP N N 15 119.859 0.000 . 1 . . . A 21 ASP N . 17889 1 145 . 1 1 22 22 ASP H H 1 8.294 0.004 . 1 . . . A 22 ASP H . 17889 1 146 . 1 1 22 22 ASP HA H 1 4.550 0.001 . 1 . . . A 22 ASP HA . 17889 1 147 . 1 1 22 22 ASP HB2 H 1 2.689 0.000 . 1 . . . A 22 ASP HB2 . 17889 1 148 . 1 1 22 22 ASP HB3 H 1 2.731 0.000 . 1 . . . A 22 ASP HB3 . 17889 1 149 . 1 1 22 22 ASP N N 15 120.431 0.000 . 1 . . . A 22 ASP N . 17889 1 150 . 1 1 23 23 SER H H 1 8.186 0.002 . 1 . . . A 23 SER H . 17889 1 151 . 1 1 23 23 SER HA H 1 4.213 0.001 . 1 . . . A 23 SER HA . 17889 1 152 . 1 1 23 23 SER HB2 H 1 3.747 0.006 . 1 . . . A 23 SER HB2 . 17889 1 153 . 1 1 23 23 SER HB3 H 1 3.720 0.005 . 1 . . . A 23 SER HB3 . 17889 1 154 . 1 1 23 23 SER N N 15 115.864 0.000 . 1 . . . A 23 SER N . 17889 1 155 . 1 1 24 24 TYR H H 1 7.955 0.001 . 1 . . . A 24 TYR H . 17889 1 156 . 1 1 24 24 TYR HA H 1 4.270 0.003 . 1 . . . A 24 TYR HA . 17889 1 157 . 1 1 24 24 TYR HB2 H 1 2.838 0.002 . 1 . . . A 24 TYR HB2 . 17889 1 158 . 1 1 24 24 TYR HB3 H 1 2.783 0.002 . 1 . . . A 24 TYR HB3 . 17889 1 159 . 1 1 24 24 TYR HD1 H 1 6.800 0.001 . 1 . . . A 24 TYR HD1 . 17889 1 160 . 1 1 24 24 TYR HD2 H 1 6.800 0.001 . 1 . . . A 24 TYR HD2 . 17889 1 161 . 1 1 24 24 TYR HE1 H 1 6.668 0.002 . 1 . . . A 24 TYR HE1 . 17889 1 162 . 1 1 24 24 TYR HE2 H 1 6.668 0.002 . 1 . . . A 24 TYR HE2 . 17889 1 163 . 1 1 24 24 TYR N N 15 121.678 0.000 . 1 . . . A 24 TYR N . 17889 1 164 . 1 1 25 25 PHE H H 1 7.776 0.001 . 1 . . . A 25 PHE H . 17889 1 165 . 1 1 25 25 PHE HA H 1 4.366 0.005 . 1 . . . A 25 PHE HA . 17889 1 166 . 1 1 25 25 PHE HB2 H 1 3.037 0.003 . 1 . . . A 25 PHE HB2 . 17889 1 167 . 1 1 25 25 PHE HB3 H 1 2.904 0.003 . 1 . . . A 25 PHE HB3 . 17889 1 168 . 1 1 25 25 PHE HD1 H 1 7.148 0.003 . 1 . . . A 25 PHE HD1 . 17889 1 169 . 1 1 25 25 PHE HD2 H 1 7.148 0.003 . 1 . . . A 25 PHE HD2 . 17889 1 170 . 1 1 25 25 PHE HE1 H 1 7.279 0.003 . 1 . . . A 25 PHE HE1 . 17889 1 171 . 1 1 25 25 PHE HE2 H 1 7.279 0.003 . 1 . . . A 25 PHE HE2 . 17889 1 172 . 1 1 25 25 PHE HZ H 1 7.224 0.002 . 1 . . . A 25 PHE HZ . 17889 1 173 . 1 1 25 25 PHE N N 15 119.567 0.000 . 1 . . . A 25 PHE N . 17889 1 174 . 1 1 26 26 GLN H H 1 7.928 0.002 . 1 . . . A 26 GLN H . 17889 1 175 . 1 1 26 26 GLN HA H 1 4.132 0.004 . 1 . . . A 26 GLN HA . 17889 1 176 . 1 1 26 26 GLN HB2 H 1 1.959 0.003 . 1 . . . A 26 GLN HB2 . 17889 1 177 . 1 1 26 26 GLN HB3 H 1 1.838 0.002 . 1 . . . A 26 GLN HB3 . 17889 1 178 . 1 1 26 26 GLN HG2 H 1 2.185 0.002 . 1 . . . A 26 GLN HG2 . 17889 1 179 . 1 1 26 26 GLN HG3 H 1 2.185 0.002 . 1 . . . A 26 GLN HG3 . 17889 1 180 . 1 1 26 26 GLN HE21 H 1 7.402 0.001 . 1 . . . A 26 GLN HE21 . 17889 1 181 . 1 1 26 26 GLN HE22 H 1 6.777 0.001 . 1 . . . A 26 GLN HE22 . 17889 1 182 . 1 1 26 26 GLN N N 15 120.553 0.000 . 1 . . . A 26 GLN N . 17889 1 183 . 1 1 26 26 GLN NE2 N 15 112.260 0.014 . 1 . . . A 26 GLN NE2 . 17889 1 184 . 1 1 27 27 ARG H H 1 8.027 0.003 . 1 . . . A 27 ARG H . 17889 1 185 . 1 1 27 27 ARG HA H 1 4.183 0.004 . 1 . . . A 27 ARG HA . 17889 1 186 . 1 1 27 27 ARG HB2 H 1 1.718 0.003 . 1 . . . A 27 ARG HB2 . 17889 1 187 . 1 1 27 27 ARG HB3 H 1 1.634 0.003 . 1 . . . A 27 ARG HB3 . 17889 1 188 . 1 1 27 27 ARG HG2 H 1 1.513 0.007 . 1 . . . A 27 ARG HG2 . 17889 1 189 . 1 1 27 27 ARG HG3 H 1 1.513 0.007 . 1 . . . A 27 ARG HG3 . 17889 1 190 . 1 1 27 27 ARG HD2 H 1 3.065 0.002 . 1 . . . A 27 ARG HD2 . 17889 1 191 . 1 1 27 27 ARG HD3 H 1 3.065 0.002 . 1 . . . A 27 ARG HD3 . 17889 1 192 . 1 1 27 27 ARG HE H 1 7.110 0.002 . 1 . . . A 27 ARG HE . 17889 1 193 . 1 1 27 27 ARG N N 15 121.580 0.000 . 1 . . . A 27 ARG N . 17889 1 194 . 1 1 27 27 ARG NE N 15 114.710 0.000 . 1 . . . A 27 ARG NE . 17889 1 195 . 1 1 28 28 LYS H H 1 8.158 0.003 . 1 . . . A 28 LYS H . 17889 1 196 . 1 1 28 28 LYS HA H 1 4.471 0.004 . 1 . . . A 28 LYS HA . 17889 1 197 . 1 1 28 28 LYS HB2 H 1 1.712 0.003 . 1 . . . A 28 LYS HB2 . 17889 1 198 . 1 1 28 28 LYS HB3 H 1 1.712 0.003 . 1 . . . A 28 LYS HB3 . 17889 1 199 . 1 1 28 28 LYS HG2 H 1 1.352 0.005 . 1 . . . A 28 LYS HG2 . 17889 1 200 . 1 1 28 28 LYS HG3 H 1 1.352 0.005 . 1 . . . A 28 LYS HG3 . 17889 1 201 . 1 1 28 28 LYS HD2 H 1 1.590 0.006 . 1 . . . A 28 LYS HD2 . 17889 1 202 . 1 1 28 28 LYS HD3 H 1 1.590 0.006 . 1 . . . A 28 LYS HD3 . 17889 1 203 . 1 1 28 28 LYS HE2 H 1 2.888 0.007 . 1 . . . A 28 LYS HE2 . 17889 1 204 . 1 1 28 28 LYS HE3 H 1 2.888 0.007 . 1 . . . A 28 LYS HE3 . 17889 1 205 . 1 1 28 28 LYS N N 15 123.672 0.000 . 1 . . . A 28 LYS N . 17889 1 206 . 1 1 29 29 PRO HA H 1 4.298 0.005 . 1 . . . A 29 PRO HA . 17889 1 207 . 1 1 29 29 PRO HB2 H 1 2.181 0.002 . 1 . . . A 29 PRO HB2 . 17889 1 208 . 1 1 29 29 PRO HB3 H 1 2.181 0.002 . 1 . . . A 29 PRO HB3 . 17889 1 209 . 1 1 29 29 PRO HG2 H 1 1.901 0.004 . 1 . . . A 29 PRO HG2 . 17889 1 210 . 1 1 29 29 PRO HG3 H 1 1.766 0.003 . 1 . . . A 29 PRO HG3 . 17889 1 211 . 1 1 29 29 PRO HD2 H 1 3.696 0.002 . 1 . . . A 29 PRO HD2 . 17889 1 212 . 1 1 29 29 PRO HD3 H 1 3.529 0.004 . 1 . . . A 29 PRO HD3 . 17889 1 213 . 1 1 30 30 LYS H H 1 8.307 0.001 . 1 . . . A 30 LYS H . 17889 1 214 . 1 1 30 30 LYS HA H 1 4.195 0.001 . 1 . . . A 30 LYS HA . 17889 1 215 . 1 1 30 30 LYS HB2 H 1 1.717 0.003 . 1 . . . A 30 LYS HB2 . 17889 1 216 . 1 1 30 30 LYS HB3 H 1 1.717 0.003 . 1 . . . A 30 LYS HB3 . 17889 1 217 . 1 1 30 30 LYS HG2 H 1 1.368 0.004 . 1 . . . A 30 LYS HG2 . 17889 1 218 . 1 1 30 30 LYS HG3 H 1 1.327 0.003 . 1 . . . A 30 LYS HG3 . 17889 1 219 . 1 1 30 30 LYS HD2 H 1 1.642 0.003 . 1 . . . A 30 LYS HD2 . 17889 1 220 . 1 1 30 30 LYS HD3 H 1 1.642 0.003 . 1 . . . A 30 LYS HD3 . 17889 1 221 . 1 1 30 30 LYS HE2 H 1 2.898 0.007 . 1 . . . A 30 LYS HE2 . 17889 1 222 . 1 1 30 30 LYS HE3 H 1 2.898 0.007 . 1 . . . A 30 LYS HE3 . 17889 1 223 . 1 1 30 30 LYS N N 15 121.864 0.000 . 1 . . . A 30 LYS N . 17889 1 224 . 1 1 31 31 LEU H H 1 8.276 0.002 . 1 . . . A 31 LEU H . 17889 1 225 . 1 1 31 31 LEU HA H 1 4.370 0.004 . 1 . . . A 31 LEU HA . 17889 1 226 . 1 1 31 31 LEU HB2 H 1 1.567 0.009 . 1 . . . A 31 LEU HB2 . 17889 1 227 . 1 1 31 31 LEU HB3 H 1 1.567 0.009 . 1 . . . A 31 LEU HB3 . 17889 1 228 . 1 1 31 31 LEU HG H 1 1.535 0.009 . 1 . . . A 31 LEU HG . 17889 1 229 . 1 1 31 31 LEU HD11 H 1 0.839 0.004 . 1 . . . A 31 LEU HD11 . 17889 1 230 . 1 1 31 31 LEU HD12 H 1 0.839 0.004 . 1 . . . A 31 LEU HD12 . 17889 1 231 . 1 1 31 31 LEU HD13 H 1 0.839 0.004 . 1 . . . A 31 LEU HD13 . 17889 1 232 . 1 1 31 31 LEU HD21 H 1 0.786 0.004 . 1 . . . A 31 LEU HD21 . 17889 1 233 . 1 1 31 31 LEU HD22 H 1 0.786 0.004 . 1 . . . A 31 LEU HD22 . 17889 1 234 . 1 1 31 31 LEU HD23 H 1 0.786 0.004 . 1 . . . A 31 LEU HD23 . 17889 1 235 . 1 1 31 31 LEU N N 15 124.171 0.000 . 1 . . . A 31 LEU N . 17889 1 236 . 1 1 32 32 THR H H 1 7.952 0.004 . 1 . . . A 32 THR H . 17889 1 237 . 1 1 32 32 THR HA H 1 4.378 0.000 . 1 . . . A 32 THR HA . 17889 1 238 . 1 1 32 32 THR HB H 1 4.324 0.000 . 1 . . . A 32 THR HB . 17889 1 239 . 1 1 32 32 THR HG21 H 1 1.201 0.001 . 1 . . . A 32 THR HG21 . 17889 1 240 . 1 1 32 32 THR HG22 H 1 1.201 0.001 . 1 . . . A 32 THR HG22 . 17889 1 241 . 1 1 32 32 THR HG23 H 1 1.201 0.001 . 1 . . . A 32 THR HG23 . 17889 1 242 . 1 1 32 32 THR N N 15 119.714 0.000 . 1 . . . A 32 THR N . 17889 1 243 . 1 1 33 33 GLU H H 1 7.865 0.004 . 1 . . . A 33 GLU H . 17889 1 244 . 1 1 33 33 GLU HA H 1 4.170 0.001 . 1 . . . A 33 GLU HA . 17889 1 245 . 1 1 33 33 GLU HB3 H 1 1.809 0.000 . 1 . . . A 33 GLU HB3 . 17889 1 246 . 1 1 33 33 GLU N N 15 121.732 0.000 . 1 . . . A 33 GLU N . 17889 1 247 . 1 1 34 34 ALA H H 1 8.215 0.002 . 1 . . . A 34 ALA H . 17889 1 248 . 1 1 34 34 ALA HA H 1 4.500 0.002 . 1 . . . A 34 ALA HA . 17889 1 249 . 1 1 34 34 ALA HB1 H 1 1.275 0.002 . 1 . . . A 34 ALA HB1 . 17889 1 250 . 1 1 34 34 ALA HB2 H 1 1.275 0.002 . 1 . . . A 34 ALA HB2 . 17889 1 251 . 1 1 34 34 ALA HB3 H 1 1.275 0.002 . 1 . . . A 34 ALA HB3 . 17889 1 252 . 1 1 34 34 ALA N N 15 127.078 0.000 . 1 . . . A 34 ALA N . 17889 1 253 . 1 1 35 35 PRO HA H 1 4.180 0.002 . 1 . . . A 35 PRO HA . 17889 1 254 . 1 1 35 35 PRO HB2 H 1 2.141 0.001 . 1 . . . A 35 PRO HB2 . 17889 1 255 . 1 1 35 35 PRO HB3 H 1 2.232 0.000 . 1 . . . A 35 PRO HB3 . 17889 1 256 . 1 1 35 35 PRO HG2 H 1 1.904 0.003 . 1 . . . A 35 PRO HG2 . 17889 1 257 . 1 1 35 35 PRO HG3 H 1 1.838 0.001 . 1 . . . A 35 PRO HG3 . 17889 1 258 . 1 1 35 35 PRO HD2 H 1 3.650 0.003 . 1 . . . A 35 PRO HD2 . 17889 1 259 . 1 1 35 35 PRO HD3 H 1 3.554 0.004 . 1 . . . A 35 PRO HD3 . 17889 1 stop_ save_