data_31215 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31215 _Entry.Title ; Structure of the human integrin alphaX transmembrane domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-11-14 _Entry.Accession_date 2024-11-14 _Entry.Last_release_date 2025-01-30 _Entry.Original_release_date 2025-01-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 T. Ulmer T. S. . . 31215 2 H. Vu H. N. . . 31215 3 A. Situ A. J. . . 31215 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Integrin . 31215 'cell adhesion' . 31215 receptor . 31215 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31215 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 103 31215 '15N chemical shifts' 37 31215 '1H chemical shifts' 37 31215 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 . . 2025-09-24 . original BMRB . 31215 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9ECM 'BMRB Entry Tracking System' 31215 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31215 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Transmembrane Helix Destabilization Regulates Integrin alphaXbeta2 Signaling ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Ulmer T. S. . . 31215 1 2 H. Vu H. N. . . 31215 1 3 A. Situ A. J. . . 31215 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31215 _Assembly.ID 1 _Assembly.Name 'Integrin alpha-X' _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 unit_1 1 $entity_1 A A yes . . . . . . 31215 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31215 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GEKYKVHNPTPLIVGSSIGG LLLLALITAVLYKVGFFKRQ YK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 42 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4640.578 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '95 alpha chain' common 31215 1 'CD11 antigen-like family member C' common 31215 1 'Leu M5' common 31215 1 'Leukocyte adhesion glycoprotein p150' common 31215 1 'Leukocyte adhesion receptor p150' common 31215 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 1078 GLY . 31215 1 2 1079 GLU . 31215 1 3 1080 LYS . 31215 1 4 1081 TYR . 31215 1 5 1082 LYS . 31215 1 6 1083 VAL . 31215 1 7 1084 HIS . 31215 1 8 1085 ASN . 31215 1 9 1086 PRO . 31215 1 10 1087 THR . 31215 1 11 1088 PRO . 31215 1 12 1089 LEU . 31215 1 13 1090 ILE . 31215 1 14 1091 VAL . 31215 1 15 1092 GLY . 31215 1 16 1093 SER . 31215 1 17 1094 SER . 31215 1 18 1095 ILE . 31215 1 19 1096 GLY . 31215 1 20 1097 GLY . 31215 1 21 1098 LEU . 31215 1 22 1099 LEU . 31215 1 23 1100 LEU . 31215 1 24 1101 LEU . 31215 1 25 1102 ALA . 31215 1 26 1103 LEU . 31215 1 27 1104 ILE . 31215 1 28 1105 THR . 31215 1 29 1106 ALA . 31215 1 30 1107 VAL . 31215 1 31 1108 LEU . 31215 1 32 1109 TYR . 31215 1 33 1110 LYS . 31215 1 34 1111 VAL . 31215 1 35 1112 GLY . 31215 1 36 1113 PHE . 31215 1 37 1114 PHE . 31215 1 38 1115 LYS . 31215 1 39 1116 ARG . 31215 1 40 1117 GLN . 31215 1 41 1118 TYR . 31215 1 42 1119 LYS . 31215 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 31215 1 . GLU 2 2 31215 1 . LYS 3 3 31215 1 . TYR 4 4 31215 1 . LYS 5 5 31215 1 . VAL 6 6 31215 1 . HIS 7 7 31215 1 . ASN 8 8 31215 1 . PRO 9 9 31215 1 . THR 10 10 31215 1 . PRO 11 11 31215 1 . LEU 12 12 31215 1 . ILE 13 13 31215 1 . VAL 14 14 31215 1 . GLY 15 15 31215 1 . SER 16 16 31215 1 . SER 17 17 31215 1 . ILE 18 18 31215 1 . GLY 19 19 31215 1 . GLY 20 20 31215 1 . LEU 21 21 31215 1 . LEU 22 22 31215 1 . LEU 23 23 31215 1 . LEU 24 24 31215 1 . ALA 25 25 31215 1 . LEU 26 26 31215 1 . ILE 27 27 31215 1 . THR 28 28 31215 1 . ALA 29 29 31215 1 . VAL 30 30 31215 1 . LEU 31 31 31215 1 . TYR 32 32 31215 1 . LYS 33 33 31215 1 . VAL 34 34 31215 1 . GLY 35 35 31215 1 . PHE 36 36 31215 1 . PHE 37 37 31215 1 . LYS 38 38 31215 1 . ARG 39 39 31215 1 . GLN 40 40 31215 1 . TYR 41 41 31215 1 . LYS 42 42 31215 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 31215 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'ITGAX, CD11C' . 31215 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 31215 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' "Escherichia coli 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 31215 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31215 _Sample.ID 1 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 1.2 mM [U-100% 13C; U-100% 15N; U-80% 2H] alphaX peptide, 350 mM 1,2-dihexanoly-sn-glycero-3-phosphocholine, 105 mM 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 25 mM HEPES, 95% H2O/5% D2O ; _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 'alphaX peptide' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 1.2 . . mM . . . . 31215 1 2 1,2-dihexanoly-sn-glycero-3-phosphocholine none . . . . . . 350 . . mM . . . . 31215 1 3 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine none . . . . . . 105 . . mM . . . . 31215 1 4 HEPES none . . . . . . 25 . . mM . . . . 31215 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 31215 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.025 . M 31215 1 pH 7.4 . pH* 31215 1 pressure 1 . atm 31215 1 temperature 313.2 . K 31215 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31215 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 31215 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31215 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31215 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 31215 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31215 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31215 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31215 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31215 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31215 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31215 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker AVANCE . 700 . . . 31215 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 31215 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31215 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31215 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31215 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31215 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31215 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 31215 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 na indirect 0.251449530 . . . . . 31215 1 H 1 water protons . . . . ppm 4.628 internal direct 1.0 . . . . . 31215 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 na indirect 0.101329118 . . . . . 31215 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31215 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 '3D HNCA' . . . 31215 1 2 '3D HNCACB' . . . 31215 1 3 '3D HNCO' . . . 31215 1 4 '3D HN(CA)CO' . . . 31215 1 5 '2D 1H-15N HSQC' . . . 31215 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 3 3 LYS H H 1 8.315 0.020 . 1 . . . . A 1080 LYS H . 31215 1 2 . 1 . 1 3 3 LYS CA C 13 56.172 0.3 . 1 . . . . A 1080 LYS CA . 31215 1 3 . 1 . 1 3 3 LYS CB C 13 31.968 0.3 . 1 . . . . A 1080 LYS CB . 31215 1 4 . 1 . 1 3 3 LYS N N 15 122.605 0.3 . 1 . . . . A 1080 LYS N . 31215 1 5 . 1 . 1 4 4 TYR H H 1 8.006 0.020 . 1 . . . . A 1081 TYR H . 31215 1 6 . 1 . 1 4 4 TYR CA C 13 57.147 0.3 . 1 . . . . A 1081 TYR CA . 31215 1 7 . 1 . 1 4 4 TYR CB C 13 37.882 0.3 . 1 . . . . A 1081 TYR CB . 31215 1 8 . 1 . 1 4 4 TYR N N 15 120.617 0.3 . 1 . . . . A 1081 TYR N . 31215 1 9 . 1 . 1 5 5 LYS H H 1 7.979 0.020 . 1 . . . . A 1082 LYS H . 31215 1 10 . 1 . 1 5 5 LYS CA C 13 55.419 0.3 . 1 . . . . A 1082 LYS CA . 31215 1 11 . 1 . 1 5 5 LYS CB C 13 32.337 0.3 . 1 . . . . A 1082 LYS CB . 31215 1 12 . 1 . 1 5 5 LYS N N 15 123.408 0.3 . 1 . . . . A 1082 LYS N . 31215 1 13 . 1 . 1 6 6 VAL H H 1 7.930 0.020 . 1 . . . . A 1083 VAL H . 31215 1 14 . 1 . 1 6 6 VAL C C 13 175.449 0.3 . 1 . . . . A 1083 VAL C . 31215 1 15 . 1 . 1 6 6 VAL CA C 13 61.412 0.3 . 1 . . . . A 1083 VAL CA . 31215 1 16 . 1 . 1 6 6 VAL CB C 13 31.963 0.3 . 1 . . . . A 1083 VAL CB . 31215 1 17 . 1 . 1 6 6 VAL N N 15 121.443 0.3 . 1 . . . . A 1083 VAL N . 31215 1 18 . 1 . 1 7 7 HIS H H 1 8.298 0.020 . 1 . . . . A 1084 HIS H . 31215 1 19 . 1 . 1 7 7 HIS CA C 13 55.945 0.3 . 1 . . . . A 1084 HIS CA . 31215 1 20 . 1 . 1 7 7 HIS CB C 13 30.320 0.3 . 1 . . . . A 1084 HIS CB . 31215 1 21 . 1 . 1 7 7 HIS N N 15 124.147 0.3 . 1 . . . . A 1084 HIS N . 31215 1 22 . 1 . 1 10 10 THR H H 1 7.990 0.020 . 1 . . . . A 1087 THR H . 31215 1 23 . 1 . 1 10 10 THR C C 13 176.693 0.3 . 1 . . . . A 1087 THR C . 31215 1 24 . 1 . 1 10 10 THR CA C 13 64.259 0.3 . 1 . . . . A 1087 THR CA . 31215 1 25 . 1 . 1 10 10 THR CB C 13 67.748 0.3 . 1 . . . . A 1087 THR CB . 31215 1 26 . 1 . 1 10 10 THR N N 15 116.465 0.3 . 1 . . . . A 1087 THR N . 31215 1 27 . 1 . 1 12 12 LEU H H 1 7.716 0.020 . 1 . . . . A 1089 LEU H . 31215 1 28 . 1 . 1 12 12 LEU C C 13 178.916 0.3 . 1 . . . . A 1089 LEU C . 31215 1 29 . 1 . 1 12 12 LEU CA C 13 56.766 0.3 . 1 . . . . A 1089 LEU CA . 31215 1 30 . 1 . 1 12 12 LEU CB C 13 40.801 0.3 . 1 . . . . A 1089 LEU CB . 31215 1 31 . 1 . 1 12 12 LEU N N 15 118.158 0.3 . 1 . . . . A 1089 LEU N . 31215 1 32 . 1 . 1 13 13 ILE H H 1 8.051 0.020 . 1 . . . . A 1090 ILE H . 31215 1 33 . 1 . 1 13 13 ILE C C 13 177.834 0.3 . 1 . . . . A 1090 ILE C . 31215 1 34 . 1 . 1 13 13 ILE CA C 13 63.395 0.3 . 1 . . . . A 1090 ILE CA . 31215 1 35 . 1 . 1 13 13 ILE CB C 13 36.864 0.3 . 1 . . . . A 1090 ILE CB . 31215 1 36 . 1 . 1 13 13 ILE N N 15 121.410 0.3 . 1 . . . . A 1090 ILE N . 31215 1 37 . 1 . 1 14 14 VAL H H 1 8.440 0.020 . 1 . . . . A 1091 VAL H . 31215 1 38 . 1 . 1 14 14 VAL C C 13 177.471 0.3 . 1 . . . . A 1091 VAL C . 31215 1 39 . 1 . 1 14 14 VAL CA C 13 65.307 0.3 . 1 . . . . A 1091 VAL CA . 31215 1 40 . 1 . 1 14 14 VAL CB C 13 30.972 0.3 . 1 . . . . A 1091 VAL CB . 31215 1 41 . 1 . 1 14 14 VAL N N 15 121.827 0.3 . 1 . . . . A 1091 VAL N . 31215 1 42 . 1 . 1 15 15 GLY H H 1 8.654 0.020 . 1 . . . . A 1092 GLY H . 31215 1 43 . 1 . 1 15 15 GLY C C 13 174.998 0.3 . 1 . . . . A 1092 GLY C . 31215 1 44 . 1 . 1 15 15 GLY CA C 13 46.711 0.3 . 1 . . . . A 1092 GLY CA . 31215 1 45 . 1 . 1 15 15 GLY N N 15 107.710 0.3 . 1 . . . . A 1092 GLY N . 31215 1 46 . 1 . 1 16 16 SER H H 1 8.165 0.020 . 1 . . . . A 1093 SER H . 31215 1 47 . 1 . 1 16 16 SER C C 13 175.641 0.3 . 1 . . . . A 1093 SER C . 31215 1 48 . 1 . 1 16 16 SER CA C 13 61.525 0.3 . 1 . . . . A 1093 SER CA . 31215 1 49 . 1 . 1 16 16 SER CB C 13 62.981 0.3 . 1 . . . . A 1093 SER CB . 31215 1 50 . 1 . 1 16 16 SER N N 15 116.262 0.3 . 1 . . . . A 1093 SER N . 31215 1 51 . 1 . 1 17 17 SER H H 1 7.968 0.020 . 1 . . . . A 1094 SER H . 31215 1 52 . 1 . 1 17 17 SER C C 13 175.483 0.3 . 1 . . . . A 1094 SER C . 31215 1 53 . 1 . 1 17 17 SER CA C 13 61.695 0.3 . 1 . . . . A 1094 SER CA . 31215 1 54 . 1 . 1 17 17 SER CB C 13 63.044 0.3 . 1 . . . . A 1094 SER CB . 31215 1 55 . 1 . 1 17 17 SER N N 15 118.620 0.3 . 1 . . . . A 1094 SER N . 31215 1 56 . 1 . 1 18 18 ILE H H 1 8.120 0.020 . 1 . . . . A 1095 ILE H . 31215 1 57 . 1 . 1 18 18 ILE C C 13 177.664 0.3 . 1 . . . . A 1095 ILE C . 31215 1 58 . 1 . 1 18 18 ILE CA C 13 64.103 0.3 . 1 . . . . A 1095 ILE CA . 31215 1 59 . 1 . 1 18 18 ILE CB C 13 36.318 0.3 . 1 . . . . A 1095 ILE CB . 31215 1 60 . 1 . 1 18 18 ILE N N 15 121.357 0.3 . 1 . . . . A 1095 ILE N . 31215 1 61 . 1 . 1 19 19 GLY H H 1 8.462 0.020 . 1 . . . . A 1096 GLY H . 31215 1 62 . 1 . 1 19 19 GLY C C 13 174.947 0.3 . 1 . . . . A 1096 GLY C . 31215 1 63 . 1 . 1 19 19 GLY CA C 13 47.192 0.3 . 1 . . . . A 1096 GLY CA . 31215 1 64 . 1 . 1 19 19 GLY N N 15 107.166 0.3 . 1 . . . . A 1096 GLY N . 31215 1 65 . 1 . 1 20 20 GLY H H 1 8.454 0.020 . 1 . . . . A 1097 GLY H . 31215 1 66 . 1 . 1 20 20 GLY C C 13 174.714 0.3 . 1 . . . . A 1097 GLY C . 31215 1 67 . 1 . 1 20 20 GLY CA C 13 46.966 0.3 . 1 . . . . A 1097 GLY CA . 31215 1 68 . 1 . 1 20 20 GLY N N 15 108.505 0.3 . 1 . . . . A 1097 GLY N . 31215 1 69 . 1 . 1 21 21 LEU H H 1 8.006 0.020 . 1 . . . . A 1098 LEU H . 31215 1 70 . 1 . 1 21 21 LEU C C 13 178.559 0.3 . 1 . . . . A 1098 LEU C . 31215 1 71 . 1 . 1 21 21 LEU CA C 13 57.715 0.3 . 1 . . . . A 1098 LEU CA . 31215 1 72 . 1 . 1 21 21 LEU CB C 13 40.668 0.3 . 1 . . . . A 1098 LEU CB . 31215 1 73 . 1 . 1 21 21 LEU N N 15 121.881 0.3 . 1 . . . . A 1098 LEU N . 31215 1 74 . 1 . 1 22 22 LEU H H 1 8.159 0.020 . 1 . . . . A 1099 LEU H . 31215 1 75 . 1 . 1 22 22 LEU C C 13 178.542 0.3 . 1 . . . . A 1099 LEU C . 31215 1 76 . 1 . 1 22 22 LEU CA C 13 57.628 0.3 . 1 . . . . A 1099 LEU CA . 31215 1 77 . 1 . 1 22 22 LEU CB C 13 40.412 0.3 . 1 . . . . A 1099 LEU CB . 31215 1 78 . 1 . 1 22 22 LEU N N 15 119.090 0.3 . 1 . . . . A 1099 LEU N . 31215 1 79 . 1 . 1 23 23 LEU H H 1 8.241 0.020 . 1 . . . . A 1100 LEU H . 31215 1 80 . 1 . 1 23 23 LEU C C 13 178.547 0.3 . 1 . . . . A 1100 LEU C . 31215 1 81 . 1 . 1 23 23 LEU CA C 13 57.628 0.3 . 1 . . . . A 1100 LEU CA . 31215 1 82 . 1 . 1 23 23 LEU CB C 13 40.554 0.3 . 1 . . . . A 1100 LEU CB . 31215 1 83 . 1 . 1 23 23 LEU N N 15 118.762 0.3 . 1 . . . . A 1100 LEU N . 31215 1 84 . 1 . 1 24 24 LEU H H 1 8.294 0.020 . 1 . . . . A 1101 LEU H . 31215 1 85 . 1 . 1 24 24 LEU C C 13 179.769 0.3 . 1 . . . . A 1101 LEU C . 31215 1 86 . 1 . 1 24 24 LEU CA C 13 57.628 0.3 . 1 . . . . A 1101 LEU CA . 31215 1 87 . 1 . 1 24 24 LEU CB C 13 40.469 0.3 . 1 . . . . A 1101 LEU CB . 31215 1 88 . 1 . 1 24 24 LEU N N 15 118.909 0.3 . 1 . . . . A 1101 LEU N . 31215 1 89 . 1 . 1 25 25 ALA H H 1 8.582 0.020 . 1 . . . . A 1102 ALA H . 31215 1 90 . 1 . 1 25 25 ALA C C 13 178.188 0.3 . 1 . . . . A 1102 ALA C . 31215 1 91 . 1 . 1 25 25 ALA CA C 13 55.108 0.3 . 1 . . . . A 1102 ALA CA . 31215 1 92 . 1 . 1 25 25 ALA CB C 13 16.984 0.3 . 1 . . . . A 1102 ALA CB . 31215 1 93 . 1 . 1 25 25 ALA N N 15 124.227 0.3 . 1 . . . . A 1102 ALA N . 31215 1 94 . 1 . 1 26 26 LEU H H 1 8.239 0.020 . 1 . . . . A 1103 LEU H . 31215 1 95 . 1 . 1 26 26 LEU C C 13 178.228 0.3 . 1 . . . . A 1103 LEU C . 31215 1 96 . 1 . 1 26 26 LEU CA C 13 57.829 0.3 . 1 . . . . A 1103 LEU CA . 31215 1 97 . 1 . 1 26 26 LEU CB C 13 40.668 0.3 . 1 . . . . A 1103 LEU CB . 31215 1 98 . 1 . 1 26 26 LEU N N 15 118.406 0.3 . 1 . . . . A 1103 LEU N . 31215 1 99 . 1 . 1 27 27 ILE H H 1 8.474 0.020 . 1 . . . . A 1104 ILE H . 31215 1 100 . 1 . 1 27 27 ILE C C 13 177.455 0.3 . 1 . . . . A 1104 ILE C . 31215 1 101 . 1 . 1 27 27 ILE CA C 13 64.882 0.3 . 1 . . . . A 1104 ILE CA . 31215 1 102 . 1 . 1 27 27 ILE CB C 13 36.920 0.3 . 1 . . . . A 1104 ILE CB . 31215 1 103 . 1 . 1 27 27 ILE N N 15 117.655 0.3 . 1 . . . . A 1104 ILE N . 31215 1 104 . 1 . 1 28 28 THR H H 1 8.189 0.020 . 1 . . . . A 1105 THR H . 31215 1 105 . 1 . 1 28 28 THR C C 13 175.828 0.3 . 1 . . . . A 1105 THR C . 31215 1 106 . 1 . 1 28 28 THR CA C 13 68.206 0.3 . 1 . . . . A 1105 THR CA . 31215 1 107 . 1 . 1 28 28 THR CB C 13 67.110 0.3 . 1 . . . . A 1105 THR CB . 31215 1 108 . 1 . 1 28 28 THR N N 15 116.594 0.3 . 1 . . . . A 1105 THR N . 31215 1 109 . 1 . 1 29 29 ALA H H 1 8.268 0.020 . 1 . . . . A 1106 ALA H . 31215 1 110 . 1 . 1 29 29 ALA C C 13 179.428 0.3 . 1 . . . . A 1106 ALA C . 31215 1 111 . 1 . 1 29 29 ALA CA C 13 55.265 0.3 . 1 . . . . A 1106 ALA CA . 31215 1 112 . 1 . 1 29 29 ALA CB C 13 17.318 0.3 . 1 . . . . A 1106 ALA CB . 31215 1 113 . 1 . 1 29 29 ALA N N 15 123.285 0.3 . 1 . . . . A 1106 ALA N . 31215 1 114 . 1 . 1 30 30 VAL H H 1 8.123 0.020 . 1 . . . . A 1107 VAL H . 31215 1 115 . 1 . 1 30 30 VAL C C 13 177.369 0.3 . 1 . . . . A 1107 VAL C . 31215 1 116 . 1 . 1 30 30 VAL CA C 13 66.634 0.3 . 1 . . . . A 1107 VAL CA . 31215 1 117 . 1 . 1 30 30 VAL CB C 13 30.377 0.3 . 1 . . . . A 1107 VAL CB . 31215 1 118 . 1 . 1 30 30 VAL N N 15 117.914 0.3 . 1 . . . . A 1107 VAL N . 31215 1 119 . 1 . 1 31 31 LEU H H 1 8.332 0.020 . 1 . . . . A 1108 LEU H . 31215 1 120 . 1 . 1 31 31 LEU C C 13 179.121 0.3 . 1 . . . . A 1108 LEU C . 31215 1 121 . 1 . 1 31 31 LEU CA C 13 57.276 0.3 . 1 . . . . A 1108 LEU CA . 31215 1 122 . 1 . 1 31 31 LEU CB C 13 39.815 0.3 . 1 . . . . A 1108 LEU CB . 31215 1 123 . 1 . 1 31 31 LEU N N 15 118.499 0.3 . 1 . . . . A 1108 LEU N . 31215 1 124 . 1 . 1 32 32 TYR H H 1 8.729 0.020 . 1 . . . . A 1109 TYR H . 31215 1 125 . 1 . 1 32 32 TYR C C 13 179.331 0.3 . 1 . . . . A 1109 TYR C . 31215 1 126 . 1 . 1 32 32 TYR CA C 13 60.902 0.3 . 1 . . . . A 1109 TYR CA . 31215 1 127 . 1 . 1 32 32 TYR CB C 13 37.939 0.3 . 1 . . . . A 1109 TYR CB . 31215 1 128 . 1 . 1 32 32 TYR N N 15 119.837 0.3 . 1 . . . . A 1109 TYR N . 31215 1 129 . 1 . 1 33 33 LYS H H 1 8.367 0.020 . 1 . . . . A 1110 LYS H . 31215 1 130 . 1 . 1 33 33 LYS C C 13 178.168 0.3 . 1 . . . . A 1110 LYS C . 31215 1 131 . 1 . 1 33 33 LYS CA C 13 57.756 0.3 . 1 . . . . A 1110 LYS CA . 31215 1 132 . 1 . 1 33 33 LYS CB C 13 30.973 0.3 . 1 . . . . A 1110 LYS CB . 31215 1 133 . 1 . 1 33 33 LYS N N 15 121.630 0.3 . 1 . . . . A 1110 LYS N . 31215 1 134 . 1 . 1 34 34 VAL H H 1 8.070 0.020 . 1 . . . . A 1111 VAL H . 31215 1 135 . 1 . 1 34 34 VAL C C 13 176.147 0.3 . 1 . . . . A 1111 VAL C . 31215 1 136 . 1 . 1 34 34 VAL CA C 13 61.653 0.3 . 1 . . . . A 1111 VAL CA . 31215 1 137 . 1 . 1 34 34 VAL CB C 13 30.631 0.3 . 1 . . . . A 1111 VAL CB . 31215 1 138 . 1 . 1 34 34 VAL N N 15 111.199 0.3 . 1 . . . . A 1111 VAL N . 31215 1 139 . 1 . 1 35 35 GLY H H 1 7.570 0.020 . 1 . . . . A 1112 GLY H . 31215 1 140 . 1 . 1 35 35 GLY C C 13 175.562 0.3 . 1 . . . . A 1112 GLY C . 31215 1 141 . 1 . 1 35 35 GLY CA C 13 45.493 0.3 . 1 . . . . A 1112 GLY CA . 31215 1 142 . 1 . 1 35 35 GLY N N 15 107.496 0.3 . 1 . . . . A 1112 GLY N . 31215 1 143 . 1 . 1 36 36 PHE H H 1 8.056 0.020 . 1 . . . . A 1113 PHE H . 31215 1 144 . 1 . 1 36 36 PHE C C 13 175.516 0.3 . 1 . . . . A 1113 PHE C . 31215 1 145 . 1 . 1 36 36 PHE CA C 13 60.135 0.3 . 1 . . . . A 1113 PHE CA . 31215 1 146 . 1 . 1 36 36 PHE CB C 13 39.866 0.3 . 1 . . . . A 1113 PHE CB . 31215 1 147 . 1 . 1 36 36 PHE N N 15 120.000 0.3 . 1 . . . . A 1113 PHE N . 31215 1 148 . 1 . 1 37 37 PHE H H 1 7.899 0.020 . 1 . . . . A 1114 PHE H . 31215 1 149 . 1 . 1 37 37 PHE C C 13 175.277 0.3 . 1 . . . . A 1114 PHE C . 31215 1 150 . 1 . 1 37 37 PHE CA C 13 57.078 0.3 . 1 . . . . A 1114 PHE CA . 31215 1 151 . 1 . 1 37 37 PHE CB C 13 37.739 0.3 . 1 . . . . A 1114 PHE CB . 31215 1 152 . 1 . 1 37 37 PHE N N 15 113.577 0.3 . 1 . . . . A 1114 PHE N . 31215 1 153 . 1 . 1 38 38 LYS H H 1 7.552 0.020 . 1 . . . . A 1115 LYS H . 31215 1 154 . 1 . 1 38 38 LYS C C 13 176.259 0.3 . 1 . . . . A 1115 LYS C . 31215 1 155 . 1 . 1 38 38 LYS CA C 13 56.042 0.3 . 1 . . . . A 1115 LYS CA . 31215 1 156 . 1 . 1 38 38 LYS CB C 13 32.025 0.3 . 1 . . . . A 1115 LYS CB . 31215 1 157 . 1 . 1 38 38 LYS N N 15 120.333 0.3 . 1 . . . . A 1115 LYS N . 31215 1 158 . 1 . 1 39 39 ARG H H 1 7.977 0.020 . 1 . . . . A 1116 ARG H . 31215 1 159 . 1 . 1 39 39 ARG C C 13 175.749 0.3 . 1 . . . . A 1116 ARG C . 31215 1 160 . 1 . 1 39 39 ARG CA C 13 55.688 0.3 . 1 . . . . A 1116 ARG CA . 31215 1 161 . 1 . 1 39 39 ARG CB C 13 29.725 0.3 . 1 . . . . A 1116 ARG CB . 31215 1 162 . 1 . 1 39 39 ARG N N 15 121.486 0.3 . 1 . . . . A 1116 ARG N . 31215 1 163 . 1 . 1 40 40 GLN H H 1 8.156 0.020 . 1 . . . . A 1117 GLN H . 31215 1 164 . 1 . 1 40 40 GLN C C 13 177.449 0.3 . 1 . . . . A 1117 GLN C . 31215 1 165 . 1 . 1 40 40 GLN CA C 13 55.108 0.3 . 1 . . . . A 1117 GLN CA . 31215 1 166 . 1 . 1 40 40 GLN CB C 13 28.783 0.3 . 1 . . . . A 1117 GLN CB . 31215 1 167 . 1 . 1 40 40 GLN N N 15 120.836 0.3 . 1 . . . . A 1117 GLN N . 31215 1 168 . 1 . 1 41 41 TYR H H 1 8.088 0.020 . 1 . . . . A 1118 TYR H . 31215 1 169 . 1 . 1 41 41 TYR C C 13 174.486 0.3 . 1 . . . . A 1118 TYR C . 31215 1 170 . 1 . 1 41 41 TYR CA C 13 57.416 0.3 . 1 . . . . A 1118 TYR CA . 31215 1 171 . 1 . 1 41 41 TYR CB C 13 38.138 0.3 . 1 . . . . A 1118 TYR CB . 31215 1 172 . 1 . 1 41 41 TYR N N 15 122.030 0.3 . 1 . . . . A 1118 TYR N . 31215 1 173 . 1 . 1 42 42 LYS H H 1 7.652 0.020 . 1 . . . . A 1119 LYS H . 31215 1 174 . 1 . 1 42 42 LYS C C 13 180.745 0.3 . 1 . . . . A 1119 LYS C . 31215 1 175 . 1 . 1 42 42 LYS CA C 13 57.246 0.3 . 1 . . . . A 1119 LYS CA . 31215 1 176 . 1 . 1 42 42 LYS CB C 13 32.849 0.3 . 1 . . . . A 1119 LYS CB . 31215 1 177 . 1 . 1 42 42 LYS N N 15 127.283 0.3 . 1 . . . . A 1119 LYS N . 31215 1 stop_ save_