data_19216 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19216 _Entry.Title ; Structural and Functional Analysis of Transmembrane Segment IV of the Salt Tolerance Protein Sod2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-02 _Entry.Accession_date 2013-05-02 _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 'NMR solution model of transmembrane segment IV Sod2 in organic solvent' _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 Asad Ullah . . . 19216 2 Grant Kemp . . . 19216 3 Brian Lee . . . 19216 4 Claudia Alves . . . 19216 5 Howard Young . . . 19216 6 Brian Sykes . D. . 19216 7 Larry Fliegel . . . 19216 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' . 19216 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID extended . 19216 peptide . 19216 'Schizosaccharomyces pombe' . 19216 sod2 . 19216 transmembrane . 19216 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19216 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 35 19216 '1H chemical shifts' 176 19216 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 . . 2013-10-11 2013-05-02 update BMRB 'update entry citation' 19216 1 . . 2013-06-04 2013-05-02 original author 'original release' 19216 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M7X 'BMRB Entry Tracking System' 19216 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19216 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23836910 _Citation.Full_citation . _Citation.Title 'Structural and Functional Analysis of Transmembrane Segment IV of the Salt Tolerance Protein Sod2.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 288 _Citation.Journal_issue 34 _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 24609 _Citation.Page_last 24624 _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 Asad Ullah . . . 19216 1 2 Grant Kemp . . . 19216 1 3 Brian Lee . . . 19216 1 4 Claudia Alves . . . 19216 1 5 Howard Young . . . 19216 1 6 Brian Sykes . D. . 19216 1 7 Larry Fliegel . . . 19216 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19216 _Assembly.ID 1 _Assembly.Name 'sod2 TM IV' _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 sod2_TM_IV 1 $sod2_TM_IV A . yes native no no . . . 19216 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_sod2_TM_IV _Entity.Sf_category entity _Entity.Sf_framecode sod2_TM_IV _Entity.Entry_ID 19216 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name sod2_TM_IV _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 ; GSKKKLFPQINFLGSLLIAG CITSTDPVLSALIVGKKK ; _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 38 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3073.673 _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 PDB 2M7X . "Structural And Functional Analysis Of Transmembrane Segment Iv Of The Salt Tolerance Protein Sod2" . . . . . 78.95 30 100.00 100.00 1.33e-10 . . . . 19216 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 1 120 GLY . 19216 1 2 121 SER . 19216 1 3 122 LYS . 19216 1 4 123 LYS . 19216 1 5 124 LYS . 19216 1 6 125 LEU . 19216 1 7 126 PHE . 19216 1 8 127 PRO . 19216 1 9 128 GLN . 19216 1 10 129 ILE . 19216 1 11 130 ASN . 19216 1 12 131 PHE . 19216 1 13 132 LEU . 19216 1 14 133 GLY . 19216 1 15 134 SER . 19216 1 16 135 LEU . 19216 1 17 136 LEU . 19216 1 18 137 ILE . 19216 1 19 138 ALA . 19216 1 20 139 GLY . 19216 1 21 140 CYS . 19216 1 22 141 ILE . 19216 1 23 142 THR . 19216 1 24 143 SER . 19216 1 25 144 THR . 19216 1 26 145 ASP . 19216 1 27 146 PRO . 19216 1 28 147 VAL . 19216 1 29 148 LEU . 19216 1 30 149 SER . 19216 1 31 150 ALA . 19216 1 32 151 LEU . 19216 1 33 152 ILE . 19216 1 34 153 VAL . 19216 1 35 154 GLY . 19216 1 36 155 LYS . 19216 1 37 156 LYS . 19216 1 38 157 LYS . 19216 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 19216 1 . SER 2 2 19216 1 . LYS 3 3 19216 1 . LYS 4 4 19216 1 . LYS 5 5 19216 1 . LEU 6 6 19216 1 . PHE 7 7 19216 1 . PRO 8 8 19216 1 . GLN 9 9 19216 1 . ILE 10 10 19216 1 . ASN 11 11 19216 1 . PHE 12 12 19216 1 . LEU 13 13 19216 1 . GLY 14 14 19216 1 . SER 15 15 19216 1 . LEU 16 16 19216 1 . LEU 17 17 19216 1 . ILE 18 18 19216 1 . ALA 19 19 19216 1 . GLY 20 20 19216 1 . CYS 21 21 19216 1 . ILE 22 22 19216 1 . THR 23 23 19216 1 . SER 24 24 19216 1 . THR 25 25 19216 1 . ASP 26 26 19216 1 . PRO 27 27 19216 1 . VAL 28 28 19216 1 . LEU 29 29 19216 1 . SER 30 30 19216 1 . ALA 31 31 19216 1 . LEU 32 32 19216 1 . ILE 33 33 19216 1 . VAL 34 34 19216 1 . GLY 35 35 19216 1 . LYS 36 36 19216 1 . LYS 37 37 19216 1 . LYS 38 38 19216 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 19216 _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 $sod2_TM_IV . 4896 organism . 'Schizosaccharomyces pombe' 'Fission yeast' . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . . . . . . . . . 19216 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 19216 _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 $sod2_TM_IV . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli XL1-Blue . . . . . . . . . . . . . . . pMal-c2x . . . 'Maltose Binding Protein fusion' . . 19216 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19216 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample in deuterated chloroform/isopropanol' _Sample.Aggregate_sample_number . _Sample.Solvent_system CDCl3/2-propanol _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 sod2_TM_IV '[U-99% 15N]' . . 1 $sod2_TM_IV . . . 0.2 0.7 mM . . . . 19216 1 2 CDCl3 'natural abundance' . . . . . . 50 . . v/v . . . . 19216 1 3 2-propanol 'natural abundance' . . . . . . 50 . . v/v . . . . 19216 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 19216 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; pH high ? "Not defined" "ionic strength" "not measured" ? "Not defined" ; 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 pressure 1 . atm 19216 1 temperature 303.15 . K 19216 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19216 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19216 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19216 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19216 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19216 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19216 2 stop_ save_ save_NMRViewJ _Software.Sf_category software _Software.Sf_framecode NMRViewJ _Software.Entry_ID 19216 _Software.ID 3 _Software.Name NMRViewJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19216 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19216 3 'peak picking' 19216 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19216 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19216 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19216 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19216 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19216 _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 Varian INOVA . 500 . . . 19216 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 19216 _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 . . . . . . . . . . . . . . . . 19216 1 2 '3D 1H-15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19216 1 3 '3D 1H-15N TOCSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19216 1 4 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19216 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 19216 _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 TMS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19216 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19216 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 19216 _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' . . . 19216 1 2 '3D 1H-15N NOESY-HSQC' . . . 19216 1 3 '3D 1H-15N TOCSY-HSQC' . . . 19216 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 HA2 H 1 3.7850 0.05 . 2 . . . A 120 GLY HA2 . 19216 1 2 . 1 1 1 1 GLY HA3 H 1 3.9130 0.05 . 2 . . . A 120 GLY HA3 . 19216 1 3 . 1 1 2 2 SER H H 1 8.8500 0.05 . 1 . . . A 121 SER HN . 19216 1 4 . 1 1 2 2 SER HA H 1 4.3370 0.05 . 1 . . . A 121 SER HA . 19216 1 5 . 1 1 2 2 SER N N 15 115.7570 0.05 . 1 . . . A 121 SER N . 19216 1 6 . 1 1 3 3 LYS H H 1 8.7530 0.05 . 1 . . . A 122 LYS HN . 19216 1 7 . 1 1 3 3 LYS HA H 1 4.0340 0.05 . 1 . . . A 122 LYS HA . 19216 1 8 . 1 1 3 3 LYS HB2 H 1 1.8080 0.05 . 2 . . . A 122 LYS HB1 . 19216 1 9 . 1 1 3 3 LYS N N 15 123.2380 0.05 . 1 . . . A 122 LYS N . 19216 1 10 . 1 1 4 4 LYS H H 1 7.9100 0.05 . 1 . . . A 123 LYS HN . 19216 1 11 . 1 1 4 4 LYS HA H 1 3.8620 0.05 . 1 . . . A 123 LYS HA . 19216 1 12 . 1 1 4 4 LYS HB2 H 1 1.7440 0.05 . 2 . . . A 123 LYS HB1 . 19216 1 13 . 1 1 4 4 LYS HG2 H 1 1.4410 0.05 . 2 . . . A 123 LYS HG1 . 19216 1 14 . 1 1 4 4 LYS N N 15 117.9810 0.05 . 1 . . . A 123 LYS N . 19216 1 15 . 1 1 5 5 LYS H H 1 7.4450 0.05 . 1 . . . A 124 LYS HN . 19216 1 16 . 1 1 5 5 LYS HA H 1 4.0770 0.05 . 1 . . . A 124 LYS HA . 19216 1 17 . 1 1 5 5 LYS HB2 H 1 1.7650 0.05 . 2 . . . A 124 LYS HB1 . 19216 1 18 . 1 1 5 5 LYS HG2 H 1 1.4130 0.05 . 2 . . . A 124 LYS HG1 . 19216 1 19 . 1 1 5 5 LYS N N 15 115.4790 0.05 . 1 . . . A 124 LYS N . 19216 1 20 . 1 1 6 6 LEU H H 1 7.6870 0.05 . 1 . . . A 125 LEU HN . 19216 1 21 . 1 1 6 6 LEU HA H 1 4.2100 0.05 . 1 . . . A 125 LEU HA . 19216 1 22 . 1 1 6 6 LEU HB2 H 1 1.3860 0.05 . 2 . . . A 125 LEU HB2 . 19216 1 23 . 1 1 6 6 LEU HB3 H 1 1.6050 0.05 . 2 . . . A 125 LEU HB3 . 19216 1 24 . 1 1 6 6 LEU HG H 1 1.5130 0.05 . 1 . . . A 125 LEU HG . 19216 1 25 . 1 1 6 6 LEU HD11 H 1 0.7690 0.05 . 2 . . . A 125 LEU HD11 . 19216 1 26 . 1 1 6 6 LEU HD12 H 1 0.7690 0.05 . 2 . . . A 125 LEU HD12 . 19216 1 27 . 1 1 6 6 LEU HD13 H 1 0.7690 0.05 . 2 . . . A 125 LEU HD13 . 19216 1 28 . 1 1 6 6 LEU N N 15 117.3260 0.05 . 1 . . . A 125 LEU N . 19216 1 29 . 1 1 7 7 PHE H H 1 7.8190 0.05 . 1 . . . A 126 PHE H . 19216 1 30 . 1 1 7 7 PHE HA H 1 4.5540 0.05 . 1 . . . A 126 PHE HA . 19216 1 31 . 1 1 7 7 PHE HB2 H 1 3.1360 0.05 . 2 . . . A 126 PHE HB2 . 19216 1 32 . 1 1 7 7 PHE N N 15 117.0800 0.05 . 1 . . . A 126 PHE N . 19216 1 33 . 1 1 8 8 PRO HD2 H 1 3.7450 0.05 . 2 . . . A 127 PRO HD2 . 19216 1 34 . 1 1 9 9 GLN H H 1 8.2350 0.05 . 1 . . . A 128 GLN H . 19216 1 35 . 1 1 9 9 GLN HA H 1 4.0120 0.05 . 1 . . . A 128 GLN HA . 19216 1 36 . 1 1 9 9 GLN HB2 H 1 2.1370 0.05 . 2 . . . A 128 GLN HB2 . 19216 1 37 . 1 1 9 9 GLN N N 15 116.3660 0.05 . 1 . . . A 128 GLN N . 19216 1 38 . 1 1 10 10 ILE H H 1 7.9790 0.05 . 1 . . . A 129 ILE H . 19216 1 39 . 1 1 10 10 ILE HA H 1 3.6970 0.05 . 1 . . . A 129 ILE HA . 19216 1 40 . 1 1 10 10 ILE HB H 1 1.8800 0.05 . 1 . . . A 129 ILE HB . 19216 1 41 . 1 1 10 10 ILE HG21 H 1 0.8470 0.05 . 2 . . . A 129 ILE HG21 . 19216 1 42 . 1 1 10 10 ILE HG22 H 1 0.8470 0.05 . 1 . . . A 129 ILE HG22 . 19216 1 43 . 1 1 10 10 ILE HG23 H 1 0.8470 0.05 . 1 . . . A 129 ILE HG23 . 19216 1 44 . 1 1 10 10 ILE HG12 H 1 1.6010 0.05 . 1 . . . A 129 ILE HG12 . 19216 1 45 . 1 1 10 10 ILE HG13 H 1 2.1670 0.05 . 1 . . . A 129 ILE HG13 . 19216 1 46 . 1 1 10 10 ILE N N 15 119.0300 0.05 . 1 . . . A 129 ILE N . 19216 1 47 . 1 1 11 11 ASN H H 1 7.9470 0.05 . 1 . . . A 130 ASN H . 19216 1 48 . 1 1 11 11 ASN HA H 1 4.3690 0.05 . 1 . . . A 130 ASN HA . 19216 1 49 . 1 1 11 11 ASN HB3 H 1 2.5140 0.05 . 2 . . . A 130 ASN HB3 . 19216 1 50 . 1 1 11 11 ASN N N 15 117.8620 0.05 . 1 . . . A 130 ASN N . 19216 1 51 . 1 1 12 12 PHE H H 1 8.1910 0.05 . 1 . . . A 131 PHE H . 19216 1 52 . 1 1 12 12 PHE HA H 1 4.1920 0.05 . 1 . . . A 131 PHE HA . 19216 1 53 . 1 1 12 12 PHE HB2 H 1 3.1560 0.05 . 2 . . . A 131 PHE HB2 . 19216 1 54 . 1 1 12 12 PHE N N 15 121.2640 0.05 . 1 . . . A 131 PHE N . 19216 1 55 . 1 1 13 13 LEU H H 1 8.1330 0.05 . 1 . . . A 132 LEU H . 19216 1 56 . 1 1 13 13 LEU HA H 1 3.8170 0.05 . 1 . . . A 132 LEU HA . 19216 1 57 . 1 1 13 13 LEU HB3 H 1 1.7880 0.05 . 2 . . . A 132 LEU HB3 . 19216 1 58 . 1 1 13 13 LEU HG H 1 1.5810 0.05 . 1 . . . A 132 LEU HG . 19216 1 59 . 1 1 13 13 LEU HD11 H 1 0.8620 0.05 . 2 . . . A 132 LEU HD11 . 19216 1 60 . 1 1 13 13 LEU HD12 H 1 0.8620 0.05 . 2 . . . A 132 LEU HD12 . 19216 1 61 . 1 1 13 13 LEU HD13 H 1 0.8620 0.05 . 2 . . . A 132 LEU HD13 . 19216 1 62 . 1 1 13 13 LEU N N 15 119.1360 0.05 . 1 . . . A 132 LEU N . 19216 1 63 . 1 1 14 14 GLY H H 1 8.5520 0.05 . 1 . . . A 133 GLY H . 19216 1 64 . 1 1 14 14 GLY HA3 H 1 3.6850 0.05 . 2 . . . A 133 GLY HA3 . 19216 1 65 . 1 1 14 14 GLY N N 15 104.7750 0.05 . 1 . . . A 133 GLY N . 19216 1 66 . 1 1 15 15 SER H H 1 7.8940 0.05 . 1 . . . A 134 SER H . 19216 1 67 . 1 1 15 15 SER HA H 1 4.0000 0.05 . 1 . . . A 134 SER HA . 19216 1 68 . 1 1 15 15 SER HB3 H 1 3.7860 0.05 . 2 . . . A 134 SER HB3 . 19216 1 69 . 1 1 15 15 SER N N 15 117.1800 0.05 . 1 . . . A 134 SER N . 19216 1 70 . 1 1 16 16 LEU H H 1 7.6170 0.05 . 1 . . . A 135 LEU H . 19216 1 71 . 1 1 16 16 LEU HA H 1 3.8270 0.05 . 1 . . . A 135 LEU HA . 19216 1 72 . 1 1 16 16 LEU HB3 H 1 1.6390 0.05 . 2 . . . A 135 LEU HB3 . 19216 1 73 . 1 1 16 16 LEU HG H 1 1.4110 0.05 . 1 . . . A 135 LEU HG . 19216 1 74 . 1 1 16 16 LEU HD11 H 1 0.6210 0.05 . 2 . . . A 135 LEU HD11 . 19216 1 75 . 1 1 16 16 LEU HD12 H 1 0.6210 0.05 . 2 . . . A 135 LEU HD12 . 19216 1 76 . 1 1 16 16 LEU HD13 H 1 0.6210 0.05 . 2 . . . A 135 LEU HD13 . 19216 1 77 . 1 1 16 16 LEU N N 15 122.7470 0.05 . 1 . . . A 135 LEU N . 19216 1 78 . 1 1 17 17 LEU H H 1 7.9060 0.05 . 1 . . . A 136 LEU H . 19216 1 79 . 1 1 17 17 LEU HA H 1 3.9840 0.05 . 1 . . . A 136 LEU HA . 19216 1 80 . 1 1 17 17 LEU HB3 H 1 1.7340 0.05 . 2 . . . A 136 LEU HB3 . 19216 1 81 . 1 1 17 17 LEU HD11 H 1 0.7950 0.05 . 2 . . . A 136 LEU HD11 . 19216 1 82 . 1 1 17 17 LEU HD12 H 1 0.7950 0.05 . 2 . . . A 136 LEU HD12 . 19216 1 83 . 1 1 17 17 LEU HD13 H 1 0.7950 0.05 . 2 . . . A 136 LEU HD13 . 19216 1 84 . 1 1 17 17 LEU N N 15 119.7370 0.05 . 1 . . . A 136 LEU N . 19216 1 85 . 1 1 18 18 ILE H H 1 8.1160 0.05 . 1 . . . A 137 ILE H . 19216 1 86 . 1 1 18 18 ILE HA H 1 3.5070 0.05 . 1 . . . A 137 ILE HA . 19216 1 87 . 1 1 18 18 ILE HB H 1 1.8610 0.05 . 1 . . . A 137 ILE HB . 19216 1 88 . 1 1 18 18 ILE HG12 H 1 1.0790 0.05 . 2 . . . A 137 ILE HG12 . 19216 1 89 . 1 1 18 18 ILE HG13 H 1 0.8290 0.05 . 2 . . . A 137 ILE HG13 . 19216 1 90 . 1 1 18 18 ILE HG21 H 1 1.0790 0.05 . 1 . . . A 137 ILE HG21 . 19216 1 91 . 1 1 18 18 ILE HG22 H 1 1.0790 0.05 . 1 . . . A 137 ILE HG22 . 19216 1 92 . 1 1 18 18 ILE HG23 H 1 1.0790 0.05 . 1 . . . A 137 ILE HG23 . 19216 1 93 . 1 1 18 18 ILE N N 15 119.4850 0.05 . 1 . . . A 137 ILE N . 19216 1 94 . 1 1 19 19 ALA H H 1 8.3150 0.05 . 1 . . . A 138 ALA H . 19216 1 95 . 1 1 19 19 ALA HA H 1 3.9110 0.05 . 1 . . . A 138 ALA HA . 19216 1 96 . 1 1 19 19 ALA HB1 H 1 1.4400 0.05 . 1 . . . A 138 ALA HB1 . 19216 1 97 . 1 1 19 19 ALA HB2 H 1 1.4400 0.05 . 1 . . . A 138 ALA HB2 . 19216 1 98 . 1 1 19 19 ALA HB3 H 1 1.4400 0.05 . 1 . . . A 138 ALA HB3 . 19216 1 99 . 1 1 19 19 ALA N N 15 121.2940 0.05 . 1 . . . A 138 ALA N . 19216 1 100 . 1 1 20 20 GLY H H 1 8.7420 0.05 . 1 . . . A 139 GLY H . 19216 1 101 . 1 1 20 20 GLY HA2 H 1 3.7450 0.05 . 2 . . . A 139 GLY HA2 . 19216 1 102 . 1 1 20 20 GLY HA3 H 1 3.8020 0.05 . 2 . . . A 139 GLY HA3 . 19216 1 103 . 1 1 20 20 GLY N N 15 108.0740 0.05 . 1 . . . A 139 GLY N . 19216 1 104 . 1 1 21 21 CYS H H 1 8.3350 0.05 . 1 . . . A 140 CYS H . 19216 1 105 . 1 1 21 21 CYS HA H 1 4.0550 0.05 . 1 . . . A 140 CYS HA . 19216 1 106 . 1 1 21 21 CYS HB2 H 1 2.7370 0.05 . 2 . . . A 140 CYS HB2 . 19216 1 107 . 1 1 21 21 CYS HB3 H 1 3.1460 0.05 . 2 . . . A 140 CYS HB3 . 19216 1 108 . 1 1 21 21 CYS HG H 1 2.4690 0.05 . 1 . . . A 140 CYS HG . 19216 1 109 . 1 1 21 21 CYS N N 15 122.3050 0.05 . 1 . . . A 140 CYS N . 19216 1 110 . 1 1 22 22 ILE H H 1 8.4340 0.05 . 1 . . . A 141 ILE H . 19216 1 111 . 1 1 22 22 ILE HA H 1 3.6060 0.05 . 1 . . . A 141 ILE HA . 19216 1 112 . 1 1 22 22 ILE HB H 1 1.8230 0.05 . 1 . . . A 141 ILE HB . 19216 1 113 . 1 1 22 22 ILE HG12 H 1 1.0410 0.05 . 2 . . . A 141 ILE HG12 . 19216 1 114 . 1 1 22 22 ILE HG13 H 1 1.6950 0.05 . 2 . . . A 141 ILE HG13 . 19216 1 115 . 1 1 22 22 ILE HG21 H 1 0.8240 0.05 . 1 . . . A 141 ILE HG21 . 19216 1 116 . 1 1 22 22 ILE HG22 H 1 0.8240 0.05 . 1 . . . A 141 ILE HG22 . 19216 1 117 . 1 1 22 22 ILE HG23 H 1 0.8240 0.05 . 1 . . . A 141 ILE HG23 . 19216 1 118 . 1 1 22 22 ILE N N 15 119.7900 0.05 . 1 . . . A 141 ILE N . 19216 1 119 . 1 1 23 23 THR H H 1 8.1350 0.05 . 1 . . . A 142 THR H . 19216 1 120 . 1 1 23 23 THR HA H 1 3.8260 0.05 . 1 . . . A 142 THR HA . 19216 1 121 . 1 1 23 23 THR HB H 1 4.1590 0.05 . 1 . . . A 142 THR HB . 19216 1 122 . 1 1 23 23 THR HG21 H 1 1.1860 0.05 . 1 . . . A 142 THR HG21 . 19216 1 123 . 1 1 23 23 THR HG22 H 1 1.1860 0.05 . 1 . . . A 142 THR HG22 . 19216 1 124 . 1 1 23 23 THR HG23 H 1 1.1860 0.05 . 1 . . . A 142 THR HG23 . 19216 1 125 . 1 1 23 23 THR N N 15 113.8810 0.05 . 1 . . . A 142 THR N . 19216 1 126 . 1 1 24 24 SER H H 1 7.6450 0.05 . 1 . . . A 143 SER H . 19216 1 127 . 1 1 24 24 SER HA H 1 4.1860 0.05 . 1 . . . A 143 SER HA . 19216 1 128 . 1 1 24 24 SER HB3 H 1 3.8890 0.05 . 2 . . . A 143 SER HB3 . 19216 1 129 . 1 1 24 24 SER N N 15 113.3410 0.05 . 1 . . . A 143 SER N . 19216 1 130 . 1 1 25 25 THR H H 1 7.3450 0.05 . 1 . . . A 144 THR H . 19216 1 131 . 1 1 25 25 THR HA H 1 4.1950 0.05 . 1 . . . A 144 THR HA . 19216 1 132 . 1 1 25 25 THR HG21 H 1 1.2280 0.05 . 1 . . . A 144 THR HG21 . 19216 1 133 . 1 1 25 25 THR HG22 H 1 1.2280 0.05 . 1 . . . A 144 THR HG22 . 19216 1 134 . 1 1 25 25 THR HG23 H 1 1.2280 0.05 . 1 . . . A 144 THR HG23 . 19216 1 135 . 1 1 25 25 THR N N 15 109.9090 0.05 . 1 . . . A 144 THR N . 19216 1 136 . 1 1 26 26 ASP H H 1 7.8810 0.05 . 1 . . . A 145 ASP H . 19216 1 137 . 1 1 26 26 ASP HA H 1 4.8200 0.05 . 1 . . . A 145 ASP HA . 19216 1 138 . 1 1 26 26 ASP HB2 H 1 2.8490 0.05 . 2 . . . A 145 ASP HB2 . 19216 1 139 . 1 1 26 26 ASP HB3 H 1 2.9890 0.05 . 2 . . . A 145 ASP HB3 . 19216 1 140 . 1 1 26 26 ASP N N 15 117.9090 0.05 . 1 . . . A 145 ASP N . 19216 1 141 . 1 1 27 27 PRO HA H 1 3.7660 0.05 . 1 . . . A 146 PRO HA . 19216 1 142 . 1 1 27 27 PRO HB2 H 1 1.8480 0.05 . 2 . . . A 146 PRO HB2 . 19216 1 143 . 1 1 28 28 VAL H H 1 7.2020 0.05 . 1 . . . A 147 VAL H . 19216 1 144 . 1 1 28 28 VAL HA H 1 3.5680 0.05 . 1 . . . A 147 VAL HA . 19216 1 145 . 1 1 28 28 VAL HB H 1 2.0500 0.05 . 1 . . . A 147 VAL HB . 19216 1 146 . 1 1 28 28 VAL HG11 H 1 0.9730 0.05 . 2 . . . A 147 VAL HG11 . 19216 1 147 . 1 1 28 28 VAL HG12 H 1 0.9730 0.05 . 2 . . . A 147 VAL HG12 . 19216 1 148 . 1 1 28 28 VAL HG13 H 1 0.9730 0.05 . 2 . . . A 147 VAL HG13 . 19216 1 149 . 1 1 28 28 VAL N N 15 115.6980 0.05 . 1 . . . A 147 VAL N . 19216 1 150 . 1 1 29 29 LEU H H 1 7.2530 0.05 . 1 . . . A 148 LEU H . 19216 1 151 . 1 1 29 29 LEU HA H 1 3.9570 0.05 . 1 . . . A 148 LEU HA . 19216 1 152 . 1 1 29 29 LEU HB3 H 1 1.5890 0.05 . 2 . . . A 148 LEU HB3 . 19216 1 153 . 1 1 29 29 LEU HD11 H 1 0.8540 0.05 . 2 . . . A 148 LEU HD11 . 19216 1 154 . 1 1 29 29 LEU HD12 H 1 0.8540 0.05 . 2 . . . A 148 LEU HD12 . 19216 1 155 . 1 1 29 29 LEU HD13 H 1 0.8540 0.05 . 2 . . . A 148 LEU HD13 . 19216 1 156 . 1 1 29 29 LEU N N 15 117.8720 0.05 . 1 . . . A 148 LEU N . 19216 1 157 . 1 1 30 30 SER H H 1 7.9140 0.05 . 1 . . . A 149 SER H . 19216 1 158 . 1 1 30 30 SER HA H 1 3.9330 0.05 . 1 . . . A 149 SER HA . 19216 1 159 . 1 1 30 30 SER HB3 H 1 3.7460 0.05 . 2 . . . A 149 SER HB3 . 19216 1 160 . 1 1 30 30 SER N N 15 112.2190 0.05 . 1 . . . A 149 SER N . 19216 1 161 . 1 1 31 31 ALA H H 1 7.6950 0.05 . 1 . . . A 150 ALA H . 19216 1 162 . 1 1 31 31 ALA HA H 1 3.9050 0.05 . 1 . . . A 150 ALA HA . 19216 1 163 . 1 1 31 31 ALA HB1 H 1 1.4640 0.05 . 1 . . . A 150 ALA HB1 . 19216 1 164 . 1 1 31 31 ALA HB2 H 1 1.4640 0.05 . 1 . . . A 150 ALA HB2 . 19216 1 165 . 1 1 31 31 ALA HB3 H 1 1.4640 0.05 . 1 . . . A 150 ALA HB3 . 19216 1 166 . 1 1 31 31 ALA N N 15 122.2080 0.05 . 1 . . . A 150 ALA N . 19216 1 167 . 1 1 32 32 LEU H H 1 7.7430 0.05 . 1 . . . A 151 LEU H . 19216 1 168 . 1 1 32 32 LEU HA H 1 3.9430 0.05 . 1 . . . A 151 LEU HA . 19216 1 169 . 1 1 32 32 LEU HB3 H 1 1.8830 0.05 . 2 . . . A 151 LEU HB3 . 19216 1 170 . 1 1 32 32 LEU HD11 H 1 0.7820 0.05 . 2 . . . A 151 LEU HD11 . 19216 1 171 . 1 1 32 32 LEU HD12 H 1 0.7820 0.05 . 2 . . . A 151 LEU HD12 . 19216 1 172 . 1 1 32 32 LEU HD13 H 1 0.7820 0.05 . 2 . . . A 151 LEU HD13 . 19216 1 173 . 1 1 32 32 LEU N N 15 117.3680 0.05 . 1 . . . A 151 LEU N . 19216 1 174 . 1 1 33 33 ILE H H 1 7.8610 0.05 . 1 . . . A 152 ILE H . 19216 1 175 . 1 1 33 33 ILE HA H 1 3.6340 0.05 . 1 . . . A 152 ILE HA . 19216 1 176 . 1 1 33 33 ILE HB H 1 1.8710 0.05 . 1 . . . A 152 ILE HB . 19216 1 177 . 1 1 33 33 ILE HG12 H 1 1.0320 0.05 . 2 . . . A 152 ILE HG12 . 19216 1 178 . 1 1 33 33 ILE HG13 H 1 1.6820 0.05 . 2 . . . A 152 ILE HG13 . 19216 1 179 . 1 1 33 33 ILE HG21 H 1 0.7880 0.05 . 1 . . . A 152 ILE HG21 . 19216 1 180 . 1 1 33 33 ILE HG22 H 1 0.7880 0.05 . 1 . . . A 152 ILE HG22 . 19216 1 181 . 1 1 33 33 ILE HG23 H 1 0.7880 0.05 . 1 . . . A 152 ILE HG23 . 19216 1 182 . 1 1 33 33 ILE N N 15 117.3890 0.05 . 1 . . . A 152 ILE N . 19216 1 183 . 1 1 34 34 VAL H H 1 8.0520 0.05 . 1 . . . A 153 VAL H . 19216 1 184 . 1 1 34 34 VAL HA H 1 3.6660 0.05 . 1 . . . A 153 VAL HA . 19216 1 185 . 1 1 34 34 VAL HB H 1 2.0490 0.05 . 1 . . . A 153 VAL HB . 19216 1 186 . 1 1 34 34 VAL HG11 H 1 0.9470 0.05 . 2 . . . A 153 VAL HG11 . 19216 1 187 . 1 1 34 34 VAL HG12 H 1 0.9470 0.05 . 2 . . . A 153 VAL HG12 . 19216 1 188 . 1 1 34 34 VAL HG13 H 1 0.9470 0.05 . 2 . . . A 153 VAL HG13 . 19216 1 189 . 1 1 34 34 VAL HG21 H 1 0.8340 0.05 . 2 . . . A 153 VAL HG21 . 19216 1 190 . 1 1 34 34 VAL HG22 H 1 0.8340 0.05 . 2 . . . A 153 VAL HG22 . 19216 1 191 . 1 1 34 34 VAL HG23 H 1 0.8340 0.05 . 2 . . . A 153 VAL HG23 . 19216 1 192 . 1 1 34 34 VAL N N 15 117.2970 0.05 . 1 . . . A 153 VAL N . 19216 1 193 . 1 1 35 35 GLY H H 1 8.0620 0.05 . 1 . . . A 154 GLY H . 19216 1 194 . 1 1 35 35 GLY HA2 H 1 3.6900 0.05 . 2 . . . A 154 GLY HA2 . 19216 1 195 . 1 1 35 35 GLY HA3 H 1 3.8210 0.05 . 2 . . . A 154 GLY HA3 . 19216 1 196 . 1 1 35 35 GLY N N 15 106.2630 0.05 . 1 . . . A 154 GLY N . 19216 1 197 . 1 1 36 36 LYS H H 1 7.6370 0.05 . 1 . . . A 155 LYS HN . 19216 1 198 . 1 1 36 36 LYS HA H 1 4.1840 0.05 . 1 . . . A 155 LYS HA . 19216 1 199 . 1 1 36 36 LYS HB2 H 1 1.8230 0.05 . 2 . . . A 155 LYS HB1 . 19216 1 200 . 1 1 36 36 LYS HG2 H 1 1.4490 0.05 . 2 . . . A 155 LYS HG1 . 19216 1 201 . 1 1 36 36 LYS N N 15 118.4340 0.05 . 1 . . . A 155 LYS N . 19216 1 202 . 1 1 37 37 LYS H H 1 8.0300 0.05 . 1 . . . A 156 LYS HN . 19216 1 203 . 1 1 37 37 LYS HA H 1 4.1800 0.05 . 1 . . . A 156 LYS HA . 19216 1 204 . 1 1 37 37 LYS HB2 H 1 1.8080 0.05 . 2 . . . A 156 LYS HB1 . 19216 1 205 . 1 1 37 37 LYS HG2 H 1 1.4430 0.05 . 2 . . . A 156 LYS HG1 . 19216 1 206 . 1 1 37 37 LYS N N 15 119.2630 0.05 . 1 . . . A 156 LYS N . 19216 1 207 . 1 1 38 38 LYS H H 1 7.9020 0.05 . 1 . . . A 157 LYS HN . 19216 1 208 . 1 1 38 38 LYS HA H 1 4.2890 0.05 . 1 . . . A 157 LYS HA . 19216 1 209 . 1 1 38 38 LYS HB2 H 1 1.7470 0.05 . 2 . . . A 157 LYS HB2 . 19216 1 210 . 1 1 38 38 LYS HG2 H 1 1.3750 0.05 . 2 . . . A 157 LYS HG1 . 19216 1 211 . 1 1 38 38 LYS N N 15 118.1550 0.05 . 1 . . . A 157 LYS N . 19216 1 stop_ save_