data_25932 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25932 _Entry.Title ; Transmembrane Structure of the P441A Mutant of the Cytokine Receptor Common Subunit beta ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-21 _Entry.Accession_date 2015-12-21 _Entry.Last_release_date 2016-07-05 _Entry.Original_release_date 2016-07-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Thomas Schmidt . . . . 25932 2 Feng Ye . . . . 25932 3 Alan Situ . J. . . 25932 4 Woojin An . . . . 25932 5 Mark Ginsberg . H. . . 25932 6 Tobias Ulmer . S. . . 25932 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' . 25932 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NBP residue' . 25932 bicelle . 25932 'cytokine receptors' . 25932 'transmembrane helix' . 25932 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25932 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 119 25932 '15N chemical shifts' 41 25932 '1H chemical shifts' 42 25932 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 . . 2016-10-18 2015-12-21 update BMRB 'update entry citation' 25932 1 . . 2016-07-05 2015-12-21 original author 'original release' 25932 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25931 'Cytokine Receptor Common Subunit beta' 25932 PDB 2NA9 'BMRB Entry Tracking System' 25932 PDB 2na8 'wild-type structure' 25932 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25932 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27365391 _Citation.Full_citation . _Citation.Title ; A Conserved Ectodomain-Transmembrane Domain Linker Motif Tunes the Allosteric Regulation of Cell Surface Receptors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 291 _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 17536 _Citation.Page_last 17546 _Citation.Year 2016 _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 Thomas Schmidt . . . . 25932 1 2 Feng Ye . . . . 25932 1 3 Alan Situ . J. . . 25932 1 4 Woojin An . . . . 25932 1 5 Mark Ginsberg . H. . . 25932 1 6 Tobias Ulmer . S. . . 25932 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25932 _Assembly.ID 1 _Assembly.Name 'P441A Mutant of the Cytokine Receptor Common Subunit beta' _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 entity 1 $entity A . yes native no no . . . 25932 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25932 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GKRSWDTESVLAMWVLALIV IFLTIAVLLALRFCGIYGYR LRRK ; _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 44 _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 5120.289 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 430 GLY . 25932 1 2 431 LYS . 25932 1 3 432 ARG . 25932 1 4 433 SER . 25932 1 5 434 TRP . 25932 1 6 435 ASP . 25932 1 7 436 THR . 25932 1 8 437 GLU . 25932 1 9 438 SER . 25932 1 10 439 VAL . 25932 1 11 440 LEU . 25932 1 12 441 ALA . 25932 1 13 442 MET . 25932 1 14 443 TRP . 25932 1 15 444 VAL . 25932 1 16 445 LEU . 25932 1 17 446 ALA . 25932 1 18 447 LEU . 25932 1 19 448 ILE . 25932 1 20 449 VAL . 25932 1 21 450 ILE . 25932 1 22 451 PHE . 25932 1 23 452 LEU . 25932 1 24 453 THR . 25932 1 25 454 ILE . 25932 1 26 455 ALA . 25932 1 27 456 VAL . 25932 1 28 457 LEU . 25932 1 29 458 LEU . 25932 1 30 459 ALA . 25932 1 31 460 LEU . 25932 1 32 461 ARG . 25932 1 33 462 PHE . 25932 1 34 463 CYS . 25932 1 35 464 GLY . 25932 1 36 465 ILE . 25932 1 37 466 TYR . 25932 1 38 467 GLY . 25932 1 39 468 TYR . 25932 1 40 469 ARG . 25932 1 41 470 LEU . 25932 1 42 471 ARG . 25932 1 43 472 ARG . 25932 1 44 473 LYS . 25932 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 25932 1 . LYS 2 2 25932 1 . ARG 3 3 25932 1 . SER 4 4 25932 1 . TRP 5 5 25932 1 . ASP 6 6 25932 1 . THR 7 7 25932 1 . GLU 8 8 25932 1 . SER 9 9 25932 1 . VAL 10 10 25932 1 . LEU 11 11 25932 1 . ALA 12 12 25932 1 . MET 13 13 25932 1 . TRP 14 14 25932 1 . VAL 15 15 25932 1 . LEU 16 16 25932 1 . ALA 17 17 25932 1 . LEU 18 18 25932 1 . ILE 19 19 25932 1 . VAL 20 20 25932 1 . ILE 21 21 25932 1 . PHE 22 22 25932 1 . LEU 23 23 25932 1 . THR 24 24 25932 1 . ILE 25 25 25932 1 . ALA 26 26 25932 1 . VAL 27 27 25932 1 . LEU 28 28 25932 1 . LEU 29 29 25932 1 . ALA 30 30 25932 1 . LEU 31 31 25932 1 . ARG 32 32 25932 1 . PHE 33 33 25932 1 . CYS 34 34 25932 1 . GLY 35 35 25932 1 . ILE 36 36 25932 1 . TYR 37 37 25932 1 . GLY 38 38 25932 1 . TYR 39 39 25932 1 . ARG 40 40 25932 1 . LEU 41 41 25932 1 . ARG 42 42 25932 1 . ARG 43 43 25932 1 . LYS 44 44 25932 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 25932 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25932 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 25932 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET44-GB3-bc(P441A) . . . 25932 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25932 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 350 mM 1,2-dihexanoyl-sn-glycero-3-phosphocholine (DHPC), 105 mM 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), 10 mM tris(2-carboxyethyl)phosphine (TCEP), 25 mM HEPES NaOH (pH 7.4), 6% D2O, 0.02% NaN3 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 entity '[U-99% 13C; U-99% 15N; 80% 2H]' . . 1 $entity . . 0.5 . . mM . . . . 25932 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25932 1 3 D2O 'natural abundance' . . . . . . 6 . . % . . . . 25932 1 4 '1,2-dihexanoyl-sn-glycero-3-phosphocholine (DHPC)' 'natural abundance' . . . . . . 350 . . mM . . . . 25932 1 5 '1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC)' 'natural abundance' . . . . . . 105 . . mM . . . . 25932 1 6 'tris(2-carboxyethyl)phosphine (TCEP)' 'natural abundance' . . . . . . 10 . . mM . . . . 25932 1 7 'HEPES NaOH' 'natural abundance' . . . . . . 25 . . mM . . . . 25932 1 8 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 25932 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 25932 _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' 0.05 . M 25932 1 pH 7.4 . pH 25932 1 pressure 1 . atm 25932 1 temperature 313 . K 25932 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25932 _Software.ID 1 _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' . . 25932 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25932 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 25932 _NMR_spectrometer.ID 1 _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 25932 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25932 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 25932 _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 . . . . . . . . . . . . . . . . 25932 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25932 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25932 1 4 '3D quant J correlation' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25932 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 25932 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.628 internal indirect 0.25144954 . . . . . 25932 1 H 1 water protons . . . . ppm 4.628 internal direct 1 . . . . . 25932 1 N 15 water protons . . . . ppm 4.628 internal indirect 0.101329 . . . . . 25932 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 25932 _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 2 '3D HNCA' . . . 25932 1 3 '3D HNCACB' . . . 25932 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 4 4 SER C C 13 174.143 0.3 . 1 . . . A 433 SER C . 25932 1 2 . 1 1 4 4 SER CA C 13 57.715 0.3 . 1 . . . A 433 SER CA . 25932 1 3 . 1 1 4 4 SER CB C 13 63.602 0.3 . 1 . . . A 433 SER CB . 25932 1 4 . 1 1 5 5 TRP H H 1 8.283 0.020 . 1 . . . A 434 TRP H . 25932 1 5 . 1 1 5 5 TRP HE1 H 1 10.236 0.020 . 1 . . . A 434 TRP HE1 . 25932 1 6 . 1 1 5 5 TRP C C 13 175.587 0.3 . 1 . . . A 434 TRP C . 25932 1 7 . 1 1 5 5 TRP CA C 13 56.604 0.3 . 1 . . . A 434 TRP CA . 25932 1 8 . 1 1 5 5 TRP CB C 13 29.269 0.3 . 1 . . . A 434 TRP CB . 25932 1 9 . 1 1 5 5 TRP N N 15 122.746 0.3 . 1 . . . A 434 TRP N . 25932 1 10 . 1 1 5 5 TRP NE1 N 15 130.289 0.3 . 1 . . . A 434 TRP NE1 . 25932 1 11 . 1 1 6 6 ASP H H 1 8.219 0.020 . 1 . . . A 435 ASP H . 25932 1 12 . 1 1 6 6 ASP C C 13 176.543 0.3 . 1 . . . A 435 ASP C . 25932 1 13 . 1 1 6 6 ASP CA C 13 53.562 0.3 . 1 . . . A 435 ASP CA . 25932 1 14 . 1 1 6 6 ASP CB C 13 40.854 0.3 . 1 . . . A 435 ASP CB . 25932 1 15 . 1 1 6 6 ASP N N 15 121.374 0.3 . 1 . . . A 435 ASP N . 25932 1 16 . 1 1 7 7 THR H H 1 8.251 0.020 . 1 . . . A 436 THR H . 25932 1 17 . 1 1 7 7 THR C C 13 175.651 0.3 . 1 . . . A 436 THR C . 25932 1 18 . 1 1 7 7 THR CA C 13 65.015 0.3 . 1 . . . A 436 THR CA . 25932 1 19 . 1 1 7 7 THR CB C 13 68.416 0.3 . 1 . . . A 436 THR CB . 25932 1 20 . 1 1 7 7 THR N N 15 116.111 0.3 . 1 . . . A 436 THR N . 25932 1 21 . 1 1 8 8 GLU H H 1 8.897 0.020 . 1 . . . A 437 GLU H . 25932 1 22 . 1 1 8 8 GLU C C 13 177.988 0.3 . 1 . . . A 437 GLU C . 25932 1 23 . 1 1 8 8 GLU CA C 13 59.513 0.3 . 1 . . . A 437 GLU CA . 25932 1 24 . 1 1 8 8 GLU CB C 13 28.370 0.3 . 1 . . . A 437 GLU CB . 25932 1 25 . 1 1 8 8 GLU N N 15 121.374 0.3 . 1 . . . A 437 GLU N . 25932 1 26 . 1 1 9 9 SER H H 1 8.018 0.020 . 1 . . . A 438 SER H . 25932 1 27 . 1 1 9 9 SER HG H 1 3.856 0.020 . 1 . . . A 438 SER HG . 25932 1 28 . 1 1 9 9 SER C C 13 175.832 0.3 . 1 . . . A 438 SER C . 25932 1 29 . 1 1 9 9 SER CA C 13 60.889 0.3 . 1 . . . A 438 SER CA . 25932 1 30 . 1 1 9 9 SER CB C 13 62.491 0.3 . 1 . . . A 438 SER CB . 25932 1 31 . 1 1 9 9 SER N N 15 115.658 0.3 . 1 . . . A 438 SER N . 25932 1 32 . 1 1 10 10 VAL H H 1 7.908 0.020 . 1 . . . A 439 VAL H . 25932 1 33 . 1 1 10 10 VAL C C 13 177.743 0.3 . 1 . . . A 439 VAL C . 25932 1 34 . 1 1 10 10 VAL CA C 13 65.861 0.3 . 1 . . . A 439 VAL CA . 25932 1 35 . 1 1 10 10 VAL CB C 13 30.698 0.3 . 1 . . . A 439 VAL CB . 25932 1 36 . 1 1 10 10 VAL N N 15 122.608 0.3 . 1 . . . A 439 VAL N . 25932 1 37 . 1 1 11 11 LEU H H 1 8.171 0.020 . 1 . . . A 440 LEU H . 25932 1 38 . 1 1 11 11 LEU C C 13 178.466 0.3 . 1 . . . A 440 LEU C . 25932 1 39 . 1 1 11 11 LEU CA C 13 57.953 0.3 . 1 . . . A 440 LEU CA . 25932 1 40 . 1 1 11 11 LEU CB C 13 40.378 0.3 . 1 . . . A 440 LEU CB . 25932 1 41 . 1 1 11 11 LEU N N 15 120.077 0.3 . 1 . . . A 440 LEU N . 25932 1 42 . 1 1 12 12 ALA H H 1 8.090 0.020 . 1 . . . A 441 ALA H . 25932 1 43 . 1 1 12 12 ALA C C 13 178.986 0.3 . 1 . . . A 441 ALA C . 25932 1 44 . 1 1 12 12 ALA CA C 13 55.122 0.3 . 1 . . . A 441 ALA CA . 25932 1 45 . 1 1 12 12 ALA CB C 13 17.367 0.3 . 1 . . . A 441 ALA CB . 25932 1 46 . 1 1 12 12 ALA N N 15 119.465 0.3 . 1 . . . A 441 ALA N . 25932 1 47 . 1 1 13 13 MET H H 1 7.875 0.020 . 1 . . . A 442 MET H . 25932 1 48 . 1 1 13 13 MET C C 13 178.073 0.3 . 1 . . . A 442 MET C . 25932 1 49 . 1 1 13 13 MET CA C 13 58.217 0.3 . 1 . . . A 442 MET CA . 25932 1 50 . 1 1 13 13 MET CB C 13 31.597 0.3 . 1 . . . A 442 MET CB . 25932 1 51 . 1 1 13 13 MET N N 15 116.111 0.3 . 1 . . . A 442 MET N . 25932 1 52 . 1 1 14 14 TRP H H 1 8.196 0.020 . 1 . . . A 443 TRP H . 25932 1 53 . 1 1 14 14 TRP HE1 H 1 10.432 0.020 . 1 . . . A 443 TRP HE1 . 25932 1 54 . 1 1 14 14 TRP C C 13 178.445 0.3 . 1 . . . A 443 TRP C . 25932 1 55 . 1 1 14 14 TRP CA C 13 60.624 0.3 . 1 . . . A 443 TRP CA . 25932 1 56 . 1 1 14 14 TRP CB C 13 28.899 0.3 . 1 . . . A 443 TRP CB . 25932 1 57 . 1 1 14 14 TRP N N 15 119.802 0.3 . 1 . . . A 443 TRP N . 25932 1 58 . 1 1 14 14 TRP NE1 N 15 130.210 0.3 . 1 . . . A 443 TRP NE1 . 25932 1 59 . 1 1 15 15 VAL H H 1 8.353 0.020 . 1 . . . A 444 VAL H . 25932 1 60 . 1 1 15 15 VAL C C 13 177.563 0.3 . 1 . . . A 444 VAL C . 25932 1 61 . 1 1 15 15 VAL CA C 13 66.866 0.3 . 1 . . . A 444 VAL CA . 25932 1 62 . 1 1 15 15 VAL CB C 13 30.221 0.3 . 1 . . . A 444 VAL CB . 25932 1 63 . 1 1 15 15 VAL N N 15 118.509 0.3 . 1 . . . A 444 VAL N . 25932 1 64 . 1 1 16 16 LEU H H 1 8.233 0.020 . 1 . . . A 445 LEU H . 25932 1 65 . 1 1 16 16 LEU C C 13 178.168 0.3 . 1 . . . A 445 LEU C . 25932 1 66 . 1 1 16 16 LEU CA C 13 57.979 0.3 . 1 . . . A 445 LEU CA . 25932 1 67 . 1 1 16 16 LEU CB C 13 40.431 0.3 . 1 . . . A 445 LEU CB . 25932 1 68 . 1 1 16 16 LEU N N 15 119.328 0.3 . 1 . . . A 445 LEU N . 25932 1 69 . 1 1 17 17 ALA H H 1 8.402 0.020 . 1 . . . A 446 ALA H . 25932 1 70 . 1 1 17 17 ALA C C 13 179.071 0.3 . 1 . . . A 446 ALA C . 25932 1 71 . 1 1 17 17 ALA CA C 13 55.096 0.3 . 1 . . . A 446 ALA CA . 25932 1 72 . 1 1 17 17 ALA CB C 13 16.996 0.3 . 1 . . . A 446 ALA CB . 25932 1 73 . 1 1 17 17 ALA N N 15 120.009 0.3 . 1 . . . A 446 ALA N . 25932 1 74 . 1 1 18 18 LEU H H 1 8.244 0.020 . 1 . . . A 447 LEU H . 25932 1 75 . 1 1 18 18 LEU C C 13 178.678 0.3 . 1 . . . A 447 LEU C . 25932 1 76 . 1 1 18 18 LEU CA C 13 57.767 0.3 . 1 . . . A 447 LEU CA . 25932 1 77 . 1 1 18 18 LEU CB C 13 40.378 0.3 . 1 . . . A 447 LEU CB . 25932 1 78 . 1 1 18 18 LEU N N 15 117.136 0.3 . 1 . . . A 447 LEU N . 25932 1 79 . 1 1 19 19 ILE H H 1 8.286 0.020 . 1 . . . A 448 ILE H . 25932 1 80 . 1 1 19 19 ILE C C 13 177.574 0.3 . 1 . . . A 448 ILE C . 25932 1 81 . 1 1 19 19 ILE CA C 13 65.702 0.3 . 1 . . . A 448 ILE CA . 25932 1 82 . 1 1 19 19 ILE CB C 13 36.464 0.3 . 1 . . . A 448 ILE CB . 25932 1 83 . 1 1 19 19 ILE N N 15 119.121 0.3 . 1 . . . A 448 ILE N . 25932 1 84 . 1 1 20 20 VAL H H 1 8.327 0.020 . 1 . . . A 449 VAL H . 25932 1 85 . 1 1 20 20 VAL C C 13 179.135 0.3 . 1 . . . A 449 VAL C . 25932 1 86 . 1 1 20 20 VAL CA C 13 67.051 0.3 . 1 . . . A 449 VAL CA . 25932 1 87 . 1 1 20 20 VAL CB C 13 30.175 0.3 . 1 . . . A 449 VAL CB . 25932 1 88 . 1 1 20 20 VAL N N 15 119.052 0.3 . 1 . . . A 449 VAL N . 25932 1 89 . 1 1 21 21 ILE H H 1 8.670 0.020 . 1 . . . A 450 ILE H . 25932 1 90 . 1 1 21 21 ILE C C 13 177.074 0.3 . 1 . . . A 450 ILE C . 25932 1 91 . 1 1 21 21 ILE CA C 13 65.594 0.3 . 1 . . . A 450 ILE CA . 25932 1 92 . 1 1 21 21 ILE CB C 13 36.594 0.3 . 1 . . . A 450 ILE CB . 25932 1 93 . 1 1 21 21 ILE N N 15 123.014 0.3 . 1 . . . A 450 ILE N . 25932 1 94 . 1 1 22 22 PHE H H 1 8.651 0.020 . 1 . . . A 451 PHE H . 25932 1 95 . 1 1 22 22 PHE C C 13 177.297 0.3 . 1 . . . A 451 PHE C . 25932 1 96 . 1 1 22 22 PHE CA C 13 61.389 0.3 . 1 . . . A 451 PHE CA . 25932 1 97 . 1 1 22 22 PHE CB C 13 37.970 0.3 . 1 . . . A 451 PHE CB . 25932 1 98 . 1 1 22 22 PHE N N 15 119.392 0.3 . 1 . . . A 451 PHE N . 25932 1 99 . 1 1 23 23 LEU H H 1 8.731 0.020 . 1 . . . A 452 LEU H . 25932 1 100 . 1 1 23 23 LEU C C 13 177.967 0.3 . 1 . . . A 452 LEU C . 25932 1 101 . 1 1 23 23 LEU CA C 13 57.606 0.3 . 1 . . . A 452 LEU CA . 25932 1 102 . 1 1 23 23 LEU CB C 13 40.924 0.3 . 1 . . . A 452 LEU CB . 25932 1 103 . 1 1 23 23 LEU N N 15 118.367 0.3 . 1 . . . A 452 LEU N . 25932 1 104 . 1 1 24 24 THR H H 1 8.104 0.020 . 1 . . . A 453 THR H . 25932 1 105 . 1 1 24 24 THR C C 13 176.220 0.3 . 1 . . . A 453 THR C . 25932 1 106 . 1 1 24 24 THR CA C 13 67.919 0.3 . 1 . . . A 453 THR CA . 25932 1 107 . 1 1 24 24 THR CB C 13 67.006 0.3 . 1 . . . A 453 THR CB . 25932 1 108 . 1 1 24 24 THR N N 15 116.173 0.3 . 1 . . . A 453 THR N . 25932 1 109 . 1 1 25 25 ILE H H 1 8.043 0.020 . 1 . . . A 454 ILE H . 25932 1 110 . 1 1 25 25 ILE C C 13 176.915 0.3 . 1 . . . A 454 ILE C . 25932 1 111 . 1 1 25 25 ILE CA C 13 65.041 0.3 . 1 . . . A 454 ILE CA . 25932 1 112 . 1 1 25 25 ILE CB C 13 36.464 0.3 . 1 . . . A 454 ILE CB . 25932 1 113 . 1 1 25 25 ILE N N 15 120.077 0.3 . 1 . . . A 454 ILE N . 25932 1 114 . 1 1 26 26 ALA H H 1 8.265 0.020 . 1 . . . A 455 ALA H . 25932 1 115 . 1 1 26 26 ALA C C 13 178.806 0.3 . 1 . . . A 455 ALA C . 25932 1 116 . 1 1 26 26 ALA CA C 13 55.346 0.3 . 1 . . . A 455 ALA CA . 25932 1 117 . 1 1 26 26 ALA CB C 13 16.890 0.3 . 1 . . . A 455 ALA CB . 25932 1 118 . 1 1 26 26 ALA N N 15 121.174 0.3 . 1 . . . A 455 ALA N . 25932 1 119 . 1 1 27 27 VAL H H 1 8.211 0.020 . 1 . . . A 456 VAL H . 25932 1 120 . 1 1 27 27 VAL C C 13 177.489 0.3 . 1 . . . A 456 VAL C . 25932 1 121 . 1 1 27 27 VAL CA C 13 66.494 0.3 . 1 . . . A 456 VAL CA . 25932 1 122 . 1 1 27 27 VAL CB C 13 30.226 0.3 . 1 . . . A 456 VAL CB . 25932 1 123 . 1 1 27 27 VAL N N 15 116.661 0.3 . 1 . . . A 456 VAL N . 25932 1 124 . 1 1 28 28 LEU H H 1 8.150 0.020 . 1 . . . A 457 LEU H . 25932 1 125 . 1 1 28 28 LEU C C 13 179.517 0.3 . 1 . . . A 457 LEU C . 25932 1 126 . 1 1 28 28 LEU CA C 13 58.056 0.3 . 1 . . . A 457 LEU CA . 25932 1 127 . 1 1 28 28 LEU CB C 13 40.414 0.3 . 1 . . . A 457 LEU CB . 25932 1 128 . 1 1 28 28 LEU N N 15 119.465 0.3 . 1 . . . A 457 LEU N . 25932 1 129 . 1 1 29 29 LEU H H 1 8.542 0.020 . 1 . . . A 458 LEU H . 25932 1 130 . 1 1 29 29 LEU C C 13 178.891 0.3 . 1 . . . A 458 LEU C . 25932 1 131 . 1 1 29 29 LEU CA C 13 57.395 0.3 . 1 . . . A 458 LEU CA . 25932 1 132 . 1 1 29 29 LEU CB C 13 40.484 0.3 . 1 . . . A 458 LEU CB . 25932 1 133 . 1 1 29 29 LEU N N 15 118.436 0.3 . 1 . . . A 458 LEU N . 25932 1 134 . 1 1 30 30 ALA H H 1 8.401 0.020 . 1 . . . A 459 ALA H . 25932 1 135 . 1 1 30 30 ALA C C 13 179.793 0.3 . 1 . . . A 459 ALA C . 25932 1 136 . 1 1 30 30 ALA CA C 13 55.122 0.3 . 1 . . . A 459 ALA CA . 25932 1 137 . 1 1 30 30 ALA CB C 13 17.208 0.3 . 1 . . . A 459 ALA CB . 25932 1 138 . 1 1 30 30 ALA N N 15 122.337 0.3 . 1 . . . A 459 ALA N . 25932 1 139 . 1 1 31 31 LEU H H 1 8.518 0.020 . 1 . . . A 460 LEU H . 25932 1 140 . 1 1 31 31 LEU C C 13 179.262 0.3 . 1 . . . A 460 LEU C . 25932 1 141 . 1 1 31 31 LEU CA C 13 57.673 0.3 . 1 . . . A 460 LEU CA . 25932 1 142 . 1 1 31 31 LEU CB C 13 40.414 0.3 . 1 . . . A 460 LEU CB . 25932 1 143 . 1 1 31 31 LEU N N 15 117.961 0.3 . 1 . . . A 460 LEU N . 25932 1 144 . 1 1 32 32 ARG H H 1 8.029 0.020 . 1 . . . A 461 ARG H . 25932 1 145 . 1 1 32 32 ARG C C 13 178.625 0.3 . 1 . . . A 461 ARG C . 25932 1 146 . 1 1 32 32 ARG CA C 13 57.818 0.3 . 1 . . . A 461 ARG CA . 25932 1 147 . 1 1 32 32 ARG CB C 13 28.443 0.3 . 1 . . . A 461 ARG CB . 25932 1 148 . 1 1 32 32 ARG N N 15 119.534 0.3 . 1 . . . A 461 ARG N . 25932 1 149 . 1 1 33 33 PHE H H 1 8.460 0.020 . 1 . . . A 462 PHE H . 25932 1 150 . 1 1 33 33 PHE C C 13 177.127 0.3 . 1 . . . A 462 PHE C . 25932 1 151 . 1 1 33 33 PHE CA C 13 60.624 0.3 . 1 . . . A 462 PHE CA . 25932 1 152 . 1 1 33 33 PHE CB C 13 38.633 0.3 . 1 . . . A 462 PHE CB . 25932 1 153 . 1 1 33 33 PHE N N 15 118.777 0.3 . 1 . . . A 462 PHE N . 25932 1 154 . 1 1 34 34 CYS H H 1 8.278 0.020 . 1 . . . A 463 CYS H . 25932 1 155 . 1 1 34 34 CYS C C 13 175.980 0.3 . 1 . . . A 463 CYS C . 25932 1 156 . 1 1 34 34 CYS CA C 13 61.999 0.3 . 1 . . . A 463 CYS CA . 25932 1 157 . 1 1 34 34 CYS CB C 13 26.966 0.3 . 1 . . . A 463 CYS CB . 25932 1 158 . 1 1 34 34 CYS N N 15 116.386 0.3 . 1 . . . A 463 CYS N . 25932 1 159 . 1 1 35 35 GLY H H 1 8.050 0.020 . 1 . . . A 464 GLY H . 25932 1 160 . 1 1 35 35 GLY C C 13 174.990 0.3 . 1 . . . A 464 GLY C . 25932 1 161 . 1 1 35 35 GLY CA C 13 45.944 0.3 . 1 . . . A 464 GLY CA . 25932 1 162 . 1 1 35 35 GLY N N 15 107.774 0.3 . 1 . . . A 464 GLY N . 25932 1 163 . 1 1 36 36 ILE H H 1 7.745 0.020 . 1 . . . A 465 ILE H . 25932 1 164 . 1 1 36 36 ILE C C 13 176.458 0.3 . 1 . . . A 465 ILE C . 25932 1 165 . 1 1 36 36 ILE CA C 13 62.423 0.3 . 1 . . . A 465 ILE CA . 25932 1 166 . 1 1 36 36 ILE CB C 13 37.409 0.3 . 1 . . . A 465 ILE CB . 25932 1 167 . 1 1 36 36 ILE N N 15 119.940 0.3 . 1 . . . A 465 ILE N . 25932 1 168 . 1 1 37 37 TYR H H 1 7.807 0.020 . 1 . . . A 466 TYR H . 25932 1 169 . 1 1 37 37 TYR C C 13 176.150 0.3 . 1 . . . A 466 TYR C . 25932 1 170 . 1 1 37 37 TYR CA C 13 58.429 0.3 . 1 . . . A 466 TYR CA . 25932 1 171 . 1 1 37 37 TYR CB C 13 37.917 0.3 . 1 . . . A 466 TYR CB . 25932 1 172 . 1 1 37 37 TYR N N 15 118.846 0.3 . 1 . . . A 466 TYR N . 25932 1 173 . 1 1 38 38 GLY H H 1 7.887 0.020 . 1 . . . A 467 GLY H . 25932 1 174 . 1 1 38 38 GLY C C 13 174.143 0.3 . 1 . . . A 467 GLY C . 25932 1 175 . 1 1 38 38 GLY CA C 13 45.547 0.3 . 1 . . . A 467 GLY CA . 25932 1 176 . 1 1 38 38 GLY N N 15 107.987 0.3 . 1 . . . A 467 GLY N . 25932 1 177 . 1 1 39 39 TYR H H 1 7.867 0.020 . 1 . . . A 468 TYR H . 25932 1 178 . 1 1 39 39 TYR C C 13 175.524 0.3 . 1 . . . A 468 TYR C . 25932 1 179 . 1 1 39 39 TYR CA C 13 58.164 0.3 . 1 . . . A 468 TYR CA . 25932 1 180 . 1 1 39 39 TYR CB C 13 37.786 0.3 . 1 . . . A 468 TYR CB . 25932 1 181 . 1 1 39 39 TYR N N 15 119.878 0.3 . 1 . . . A 468 TYR N . 25932 1 182 . 1 1 40 40 ARG H H 1 7.873 0.020 . 1 . . . A 469 ARG H . 25932 1 183 . 1 1 40 40 ARG C C 13 175.800 0.3 . 1 . . . A 469 ARG C . 25932 1 184 . 1 1 40 40 ARG CA C 13 55.334 0.3 . 1 . . . A 469 ARG CA . 25932 1 185 . 1 1 40 40 ARG CB C 13 30.035 0.3 . 1 . . . A 469 ARG CB . 25932 1 186 . 1 1 40 40 ARG N N 15 121.174 0.3 . 1 . . . A 469 ARG N . 25932 1 187 . 1 1 41 41 LEU H H 1 7.940 0.020 . 1 . . . A 470 LEU H . 25932 1 188 . 1 1 41 41 LEU C C 13 176.618 0.3 . 1 . . . A 470 LEU C . 25932 1 189 . 1 1 41 41 LEU CA C 13 54.858 0.3 . 1 . . . A 470 LEU CA . 25932 1 190 . 1 1 41 41 LEU CB C 13 41.331 0.3 . 1 . . . A 470 LEU CB . 25932 1 191 . 1 1 41 41 LEU N N 15 121.718 0.3 . 1 . . . A 470 LEU N . 25932 1 192 . 1 1 42 42 ARG H H 1 7.922 0.020 . 1 . . . A 471 ARG H . 25932 1 193 . 1 1 42 42 ARG CA C 13 55.308 0.3 . 1 . . . A 471 ARG CA . 25932 1 194 . 1 1 42 42 ARG CB C 13 30.010 0.3 . 1 . . . A 471 ARG CB . 25932 1 195 . 1 1 42 42 ARG N N 15 120.624 0.3 . 1 . . . A 471 ARG N . 25932 1 196 . 1 1 43 43 ARG C C 13 175.258 0.3 . 1 . . . A 472 ARG C . 25932 1 197 . 1 1 43 43 ARG CA C 13 55.704 0.3 . 1 . . . A 472 ARG CA . 25932 1 198 . 1 1 43 43 ARG CB C 13 29.851 0.3 . 1 . . . A 472 ARG CB . 25932 1 199 . 1 1 44 44 LYS H H 1 7.826 0.020 . 1 . . . A 473 LYS H . 25932 1 200 . 1 1 44 44 LYS CA C 13 57.344 0.3 . 1 . . . A 473 LYS CA . 25932 1 201 . 1 1 44 44 LYS CB C 13 32.468 0.3 . 1 . . . A 473 LYS CB . 25932 1 202 . 1 1 44 44 LYS N N 15 110.161 0.3 . 1 . . . A 473 LYS N . 25932 1 stop_ save_