data_50632 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50632 _Entry.Title ; Hinge region of the Trypanosoma brucei PKA regulatory subunit ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-12-09 _Entry.Accession_date 2020-12-09 _Entry.Last_release_date 2020-12-09 _Entry.Original_release_date 2020-12-09 _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 _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 ; Synthetic peptide (VAPYFEKSEDETALILKLLTYNVLFS) correspond to the hinge region (V220-S245) of the Trypanosoma brucei PKA regulatory subunit characterized by NMR spectroscopy in dodecylphosphocholine. ; _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 Nelson Araujo . N.A. Sr. . 50632 2 Marta Bruix . M. Sr. . 50632 3 Douglas Laurents . D.V. Sr. . 50632 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Departamento de Biologia Celular, Universidad Simon Bolivar, Apartado 89.000' . 50632 2 . 'Valle de Sartenejas, Baruta, Caracas 1081-A, Venezuela.' . 50632 3 . 'Departamento de Quimica Fisica Biologica' . 50632 4 . 'Instituto de Quimica Fisica "Rocasolano" Consejo Superior de Investigaciones Cientificas' . 50632 5 . 'Serrano 119, 28006 Madrid, Espana.' . 50632 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50632 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 52 50632 '1H chemical shifts' 192 50632 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 . . 2021-05-25 2020-12-09 update BMRB 'update entry citation' 50632 1 . . 2021-01-25 2020-12-09 original author 'original release' 50632 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50629 'Hinge region of the Trypanosoma brucei PKA regulatory subunit, Peptide 1 Water' 50632 BMRB 50630 'Hinge region of the Trypanosoma brucei PKA regulatory subunit, Peptide 2 Water' 50632 BMRB 50631 'Hinge region of the Trypanosoma brucei PKA regulatory subunit, Peptide 2 DPC' 50632 NCBI XP_828537.1 'protein kinase A regulatory subunit [Trypanosoma brucei brucei TREU927]' 50632 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50632 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33359563 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Disorder and partial folding in the regulatory subunit hinge region of Trypanosoma brucei protein kinase A: The C-linker portion inhibits the parasite's protein kinase A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Arch. Biochem. Biophys.' _Citation.Journal_name_full . _Citation.Journal_volume 698 _Citation.Journal_issue . _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 108731 _Citation.Page_last 108731 _Citation.Year 2021 _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 Nelson Araujo . N.A. Sr. . 50632 1 2 Marta Bruix . M. Sr. . 50632 1 3 Douglas Laurents . D.V. Sr. . 50632 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Intrinsically Disordered Regions, IDRs' 50632 1 'NMR spectroscopy' 50632 1 'Peptides, inhibitor' 50632 1 'Regulatory Subunit of the PKA, PKAr, Hinge Region' 50632 1 'Trypanosoma brucei' 50632 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50632 _Assembly.ID 1 _Assembly.Name 'Regulatory Subunit of Protein Kinase A from Trypanoma brucei' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Hinge region' 1 $entity_1 . . yes native no no . . . 50632 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50632 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VAPYFEKSEDETALILKLLT YNVLFS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 26 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Structural funtion, it contains a recognition sequence to PKA (RRTTV) and the hinge region C-terminus (V220-S245) presents a helical structural motif that functions as inhibitor of PKA catalytic subunit from Trypanosomas. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Structural funtion, it contains a recognition sequence to PKA (RRTTV) and the hinge region C-terminus (V220-S245)' 50632 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 1 220 VAL . 50632 1 2 221 ALA . 50632 1 3 222 PRO . 50632 1 4 223 TYR . 50632 1 5 224 PHE . 50632 1 6 225 GLU . 50632 1 7 226 LYS . 50632 1 8 227 SER . 50632 1 9 228 GLU . 50632 1 10 229 ASP . 50632 1 11 230 GLU . 50632 1 12 231 THR . 50632 1 13 232 ALA . 50632 1 14 233 LEU . 50632 1 15 234 ILE . 50632 1 16 235 LEU . 50632 1 17 236 LYS . 50632 1 18 237 LEU . 50632 1 19 238 LEU . 50632 1 20 239 THR . 50632 1 21 240 TYR . 50632 1 22 241 ASN . 50632 1 23 242 VAL . 50632 1 24 243 LEU . 50632 1 25 244 PHE . 50632 1 26 245 SER . 50632 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 . VAL 1 1 50632 1 . ALA 2 2 50632 1 . PRO 3 3 50632 1 . TYR 4 4 50632 1 . PHE 5 5 50632 1 . GLU 6 6 50632 1 . LYS 7 7 50632 1 . SER 8 8 50632 1 . GLU 9 9 50632 1 . ASP 10 10 50632 1 . GLU 11 11 50632 1 . THR 12 12 50632 1 . ALA 13 13 50632 1 . LEU 14 14 50632 1 . ILE 15 15 50632 1 . LEU 16 16 50632 1 . LYS 17 17 50632 1 . LEU 18 18 50632 1 . LEU 19 19 50632 1 . THR 20 20 50632 1 . TYR 21 21 50632 1 . ASN 22 22 50632 1 . VAL 23 23 50632 1 . LEU 24 24 50632 1 . PHE 25 25 50632 1 . SER 26 26 50632 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50632 _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 . 5691 organism . 'Trypanosoma brucei' 'Trypanosoma brucei' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . 50632 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50632 _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 . 'Synthetic peptides' . . . . . . . . . . . . . . . . 50632 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50632 _Sample.ID 1 _Sample.Name 'Peptide 3' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Dissolved in 30 mM deuterated DPC' _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '90% H2O/10% 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 'Hinge region of the PKA regulatory subunit' 'natural abundance' . . 1 $entity_1 . . 1.9 . . mM . . . . 50632 1 2 DSS 'natural abundance' . . . . . . 0.04 . . mM . . . . 50632 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 50632 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Normal conditions' _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 pH 5 . pH 50632 1 pressure 1 . atm 50632 1 temperature 298 . K 50632 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50632 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'Data acquisition' . 50632 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50632 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3.114 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50632 2 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 50632 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name AV-600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50632 _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 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50632 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50632 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50632 1 4 '2D 1H-1H COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50632 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50632 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 50632 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Hinge Region TbPKAr peptide 3 C-terminus' _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 0.00 na indirect 0.251449530 . . . . . 50632 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 50632 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 50632 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name hingeTbPKAr4 _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 '1D 1H' . . . 50632 1 2 '2D 1H-13C HSQC' . . . 50632 1 3 '2D 1H-1H TOCSY' . . . 50632 1 4 '2D 1H-1H COSY' . . . 50632 1 5 '2D 1H-1H NOESY' . . . 50632 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50632 1 2 $software_2 . . 50632 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 1 1 VAL HA H 1 3.80 0.02 . 1 . . . . . 220 VAL HA . 50632 1 2 . 1 . 1 1 1 VAL HB H 1 2.20 0.02 . 1 . . . . . 220 VAL HB . 50632 1 3 . 1 . 1 1 1 VAL HG11 H 1 1.02 0.02 . 2 . . . . . 220 VAL HG11 . 50632 1 4 . 1 . 1 1 1 VAL HG12 H 1 1.02 0.02 . 2 . . . . . 220 VAL HG12 . 50632 1 5 . 1 . 1 1 1 VAL HG13 H 1 1.02 0.02 . 2 . . . . . 220 VAL HG12 . 50632 1 6 . 1 . 1 1 1 VAL CA C 13 60.79 0.02 . 1 . . . . . 220 VAL CA . 50632 1 7 . 1 . 1 1 1 VAL CB C 13 32.52 0.02 . 1 . . . . . 220 VAL CB . 50632 1 8 . 1 . 1 2 2 ALA H H 1 8.75 0.02 . 1 . . . . . 221 ALA H . 50632 1 9 . 1 . 1 2 2 ALA HA H 1 4.58 0.02 . 1 . . . . . 221 ALA HA . 50632 1 10 . 1 . 1 2 2 ALA HB1 H 1 1.31 0.02 . 1 . . . . . 221 ALA MB . 50632 1 11 . 1 . 1 2 2 ALA HB2 H 1 1.31 0.02 . 1 . . . . . 221 ALA MB . 50632 1 12 . 1 . 1 2 2 ALA HB3 H 1 1.31 0.02 . 1 . . . . . 221 ALA MB . 50632 1 13 . 1 . 1 2 2 ALA CA C 13 50.35 0.02 . 1 . . . . . 221 ALA CA . 50632 1 14 . 1 . 1 2 2 ALA CB C 13 18.02 0.02 . 1 . . . . . 221 ALA CB . 50632 1 15 . 1 . 1 3 3 PRO HA H 1 4.40 0.02 . 1 . . . . . 222 PRO HA . 50632 1 16 . 1 . 1 3 3 PRO HB2 H 1 2.19 0.02 . 2 . . . . . 222 PRO HB2 . 50632 1 17 . 1 . 1 3 3 PRO HB3 H 1 1.81 0.02 . 2 . . . . . 222 PRO HB3 . 50632 1 18 . 1 . 1 3 3 PRO HG2 H 1 2.00 0.02 . 2 . . . . . 222 PRO HG2 . 50632 1 19 . 1 . 1 3 3 PRO HG3 H 1 1.91 0.02 . 2 . . . . . 222 PRO HG3 . 50632 1 20 . 1 . 1 3 3 PRO HD2 H 1 3.76 0.02 . 2 . . . . . 222 PRO HD2 . 50632 1 21 . 1 . 1 3 3 PRO HD3 H 1 3.59 0.02 . 2 . . . . . 222 PRO HD3 . 50632 1 22 . 1 . 1 3 3 PRO CA C 13 62.99 0.02 . 1 . . . . . 222 PRO CA . 50632 1 23 . 1 . 1 3 3 PRO CB C 13 32.22 0.02 . 1 . . . . . 222 PRO CB . 50632 1 24 . 1 . 1 4 4 TYR H H 1 8.10 0.02 . 1 . . . . . 223 TYR H . 50632 1 25 . 1 . 1 4 4 TYR HA H 1 4.25 0.02 . 1 . . . . . 223 TYR HA . 50632 1 26 . 1 . 1 4 4 TYR HB2 H 1 2.85 0.02 . 2 . . . . . 223 TYR HB2 . 50632 1 27 . 1 . 1 4 4 TYR HB3 H 1 2.76 0.02 . 2 . . . . . 223 TYR HB3 . 50632 1 28 . 1 . 1 4 4 TYR HD1 H 1 6.87 0.02 . 3 . . . . . 223 TYR HD1 . 50632 1 29 . 1 . 1 4 4 TYR HD2 H 1 6.87 0.02 . 3 . . . . . 223 TYR HD2 . 50632 1 30 . 1 . 1 4 4 TYR HE1 H 1 6.74 0.02 . 3 . . . . . 223 TYR HE1 . 50632 1 31 . 1 . 1 4 4 TYR HE2 H 1 6.74 0.02 . 3 . . . . . 223 TYR HE2 . 50632 1 32 . 1 . 1 4 4 TYR CA C 13 58.81 0.02 . 1 . . . . . 223 TYR CA . 50632 1 33 . 1 . 1 4 4 TYR CB C 13 38.53 0.02 . 1 . . . . . 223 TYR CB . 50632 1 34 . 1 . 1 5 5 PHE H H 1 7.96 0.02 . 1 . . . . . 224 PHE H . 50632 1 35 . 1 . 1 5 5 PHE HA H 1 4.62 0.02 . 1 . . . . . 224 PHE HA . 50632 1 36 . 1 . 1 5 5 PHE HB2 H 1 3.16 0.02 . 2 . . . . . 224 PHE HB2 . 50632 1 37 . 1 . 1 5 5 PHE HB3 H 1 2.96 0.02 . 2 . . . . . 224 PHE HB3 . 50632 1 38 . 1 . 1 5 5 PHE HD1 H 1 7.27 0.02 . 3 . . . . . 224 PHE HD1 . 50632 1 39 . 1 . 1 5 5 PHE HD2 H 1 7.27 0.02 . 3 . . . . . 224 PHE HD2 . 50632 1 40 . 1 . 1 5 5 PHE CA C 13 56.94 0.02 . 1 . . . . . 224 PHE CA . 50632 1 41 . 1 . 1 5 5 PHE CB C 13 39.60 0.02 . 1 . . . . . 224 PHE CB . 50632 1 42 . 1 . 1 6 6 GLU H H 1 8.32 0.02 . 1 . . . . . 225 GLU H . 50632 1 43 . 1 . 1 6 6 GLU HA H 1 4.19 0.02 . 1 . . . . . 225 GLU HA . 50632 1 44 . 1 . 1 6 6 GLU HB2 H 1 2.06 0.02 . 2 . . . . . 225 GLU HB2 . 50632 1 45 . 1 . 1 6 6 GLU HB3 H 1 1.95 0.02 . 2 . . . . . 225 GLU HB3 . 50632 1 46 . 1 . 1 6 6 GLU HG2 H 1 2.27 0.02 . 2 . . . . . 225 GLU HG2 . 50632 1 47 . 1 . 1 6 6 GLU HG3 H 1 2.27 0.02 . 2 . . . . . 225 GLU HG3 . 50632 1 48 . 1 . 1 6 6 GLU CA C 13 57.96 0.02 . 1 . . . . . 225 GLU CA . 50632 1 49 . 1 . 1 6 6 GLU CB C 13 30.24 0.02 . 1 . . . . . 225 GLU CB . 50632 1 50 . 1 . 1 7 7 LYS H H 1 8.24 0.02 . 1 . . . . . 226 LYS H . 50632 1 51 . 1 . 1 7 7 LYS HA H 1 4.40 0.02 . 1 . . . . . 226 LYS HA . 50632 1 52 . 1 . 1 7 7 LYS HB2 H 1 1.92 0.02 . 2 . . . . . 226 LYS HB2 . 50632 1 53 . 1 . 1 7 7 LYS HB3 H 1 1.81 0.02 . 2 . . . . . 226 LYS HB3 . 50632 1 54 . 1 . 1 7 7 LYS HG2 H 1 1.44 0.02 . 2 . . . . . 226 LYS HG2 . 50632 1 55 . 1 . 1 7 7 LYS HG3 H 1 1.44 0.02 . 2 . . . . . 226 LYS HG3 . 50632 1 56 . 1 . 1 7 7 LYS HD2 H 1 1.68 0.02 . 1 . . . . . 226 LYS HD2 . 50632 1 57 . 1 . 1 7 7 LYS HD3 H 1 1.68 0.02 . 1 . . . . . 226 LYS HD3 . 50632 1 58 . 1 . 1 7 7 LYS HE2 H 1 2.98 0.02 . 1 . . . . . 226 LYS HE2 . 50632 1 59 . 1 . 1 7 7 LYS HE3 H 1 2.98 0.02 . 1 . . . . . 226 LYS HE3 . 50632 1 60 . 1 . 1 7 7 LYS CA C 13 58.65 0.02 . 1 . . . . . 226 LYS CA . 50632 1 61 . 1 . 1 7 7 LYS CB C 13 32.95 0.02 . 1 . . . . . 226 LYS CB . 50632 1 62 . 1 . 1 8 8 SER H H 1 8.40 0.02 . 1 . . . . . 227 SER H . 50632 1 63 . 1 . 1 8 8 SER HA H 1 4.37 0.02 . 1 . . . . . 227 SER HA . 50632 1 64 . 1 . 1 8 8 SER HB2 H 1 3.97 0.02 . 2 . . . . . 227 SER HB2 . 50632 1 65 . 1 . 1 8 8 SER HB3 H 1 3.87 0.02 . 2 . . . . . 227 SER HB3 . 50632 1 66 . 1 . 1 8 8 SER CA C 13 59.75 0.02 . 1 . . . . . 227 SER CA . 50632 1 67 . 1 . 1 8 8 SER CB C 13 63.63 0.02 . 1 . . . . . 227 SER CB . 50632 1 68 . 1 . 1 9 9 GLU H H 1 8.93 0.02 . 1 . . . . . 228 GLU H . 50632 1 69 . 1 . 1 9 9 GLU HA H 1 4.20 0.02 . 1 . . . . . 228 GLU HA . 50632 1 70 . 1 . 1 9 9 GLU HB2 H 1 2.07 0.02 . 2 . . . . . 228 GLU HB2 . 50632 1 71 . 1 . 1 9 9 GLU HB3 H 1 1.97 0.02 . 2 . . . . . 228 GLU HB3 . 50632 1 72 . 1 . 1 9 9 GLU HG2 H 1 2.36 0.02 . 2 . . . . . 228 GLU HG2 . 50632 1 73 . 1 . 1 9 9 GLU HG3 H 1 2.36 0.02 . 2 . . . . . 228 GLU HG3 . 50632 1 74 . 1 . 1 9 9 GLU CA C 13 57.95 0.02 . 1 . . . . . 228 GLU CA . 50632 1 75 . 1 . 1 9 9 GLU CB C 13 29.46 0.02 . 1 . . . . . 228 GLU CB . 50632 1 76 . 1 . 1 10 10 ASP H H 1 8.16 0.02 . 1 . . . . . 229 ASP H . 50632 1 77 . 1 . 1 10 10 ASP HA H 1 4.53 0.02 . 1 . . . . . 229 ASP HA . 50632 1 78 . 1 . 1 10 10 ASP HB2 H 1 2.83 0.02 . 2 . . . . . 229 ASP HB2 . 50632 1 79 . 1 . 1 10 10 ASP HB3 H 1 2.78 0.02 . 2 . . . . . 229 ASP HB3 . 50632 1 80 . 1 . 1 10 10 ASP CA C 13 55.53 0.02 . 1 . . . . . 229 ASP CA . 50632 1 81 . 1 . 1 10 10 ASP CB C 13 38.49 0.02 . 1 . . . . . 229 ASP CB . 50632 1 82 . 1 . 1 11 11 GLU H H 1 8.22 0.02 . 1 . . . . . 230 GLU H . 50632 1 83 . 1 . 1 11 11 GLU HA H 1 3.99 0.02 . 1 . . . . . 230 GLU HA . 50632 1 84 . 1 . 1 11 11 GLU HB2 H 1 2.13 0.02 . 2 . . . . . 230 GLU HB2 . 50632 1 85 . 1 . 1 11 11 GLU HB3 H 1 2.07 0.02 . 2 . . . . . 230 GLU HB3 . 50632 1 86 . 1 . 1 11 11 GLU HG2 H 1 2.36 0.02 . 2 . . . . . 230 GLU HG2 . 50632 1 87 . 1 . 1 11 11 GLU HG3 H 1 2.27 0.02 . 2 . . . . . 230 GLU HG3 . 50632 1 88 . 1 . 1 11 11 GLU CA C 13 58.64 0.02 . 1 . . . . . 230 GLU CA . 50632 1 89 . 1 . 1 11 11 GLU CB C 13 28.99 0.02 . 1 . . . . . 230 GLU CB . 50632 1 90 . 1 . 1 12 12 THR H H 1 8.16 0.02 . 1 . . . . . 231 THR H . 50632 1 91 . 1 . 1 12 12 THR HA H 1 3.79 0.02 . 1 . . . . . 231 THR HA . 50632 1 92 . 1 . 1 12 12 THR HB H 1 4.21 0.02 . 1 . . . . . 231 THR HB . 50632 1 93 . 1 . 1 12 12 THR HG21 H 1 1.22 0.02 . 1 . . . . . 231 THR HG21 . 50632 1 94 . 1 . 1 12 12 THR HG22 H 1 1.22 0.02 . 1 . . . . . 231 THR HG22 . 50632 1 95 . 1 . 1 12 12 THR HG23 H 1 1.22 0.02 . 1 . . . . . 231 THR HG23 . 50632 1 96 . 1 . 1 12 12 THR CA C 13 63.67 0.02 . 1 . . . . . 231 THR CA . 50632 1 97 . 1 . 1 12 12 THR CB C 13 68.13 0.02 . 1 . . . . . 231 THR CB . 50632 1 98 . 1 . 1 13 13 ALA H H 1 7.97 0.02 . 1 . . . . . 232 ALA H . 50632 1 99 . 1 . 1 13 13 ALA HA H 1 4.05 0.02 . 1 . . . . . 232 ALA HA . 50632 1 100 . 1 . 1 13 13 ALA HB1 H 1 1.51 0.02 . 1 . . . . . 232 ALA MB . 50632 1 101 . 1 . 1 13 13 ALA HB2 H 1 1.51 0.02 . 1 . . . . . 232 ALA MB . 50632 1 102 . 1 . 1 13 13 ALA HB3 H 1 1.51 0.02 . 1 . . . . . 232 ALA MB . 50632 1 103 . 1 . 1 13 13 ALA CA C 13 54.66 0.02 . 1 . . . . . 232 ALA CA . 50632 1 104 . 1 . 1 13 13 ALA CB C 13 18.16 0.02 . 1 . . . . . 232 ALA CB . 50632 1 105 . 1 . 1 14 14 LEU H H 1 7.70 0.02 . 1 . . . . . 233 LEU H . 50632 1 106 . 1 . 1 14 14 LEU HA H 1 4.10 0.02 . 1 . . . . . 233 LEU HA . 50632 1 107 . 1 . 1 14 14 LEU HB2 H 1 1.83 0.02 . 2 . . . . . 233 LEU HB2 . 50632 1 108 . 1 . 1 14 14 LEU HB3 H 1 1.83 0.02 . 2 . . . . . 233 LEU HB3 . 50632 1 109 . 1 . 1 14 14 LEU HG H 1 1.72 0.02 . 1 . . . . . 233 LEU HG . 50632 1 110 . 1 . 1 14 14 LEU HD11 H 1 0.95 0.02 . 2 . . . . . 233 LEU MD1 . 50632 1 111 . 1 . 1 14 14 LEU HD12 H 1 0.95 0.02 . 2 . . . . . 233 LEU MD1 . 50632 1 112 . 1 . 1 14 14 LEU HD13 H 1 0.95 0.02 . 2 . . . . . 233 LEU MD1 . 50632 1 113 . 1 . 1 14 14 LEU HD21 H 1 0.88 0.02 . 2 . . . . . 233 LEU MD2 . 50632 1 114 . 1 . 1 14 14 LEU HD22 H 1 0.88 0.02 . 2 . . . . . 233 LEU MD2 . 50632 1 115 . 1 . 1 14 14 LEU HD23 H 1 0.88 0.02 . 2 . . . . . 233 LEU MD2 . 50632 1 116 . 1 . 1 14 14 LEU CA C 13 56.16 0.02 . 1 . . . . . 233 LEU CA . 50632 1 117 . 1 . 1 14 14 LEU CB C 13 41.56 0.02 . 1 . . . . . 233 LEU CB . 50632 1 118 . 1 . 1 15 15 ILE H H 1 7.99 0.02 . 1 . . . . . 234 ILE H . 50632 1 119 . 1 . 1 15 15 ILE HA H 1 3.65 0.02 . 1 . . . . . 234 ILE HA . 50632 1 120 . 1 . 1 15 15 ILE HB H 1 2.02 0.02 . 1 . . . . . 234 ILE HB . 50632 1 121 . 1 . 1 15 15 ILE HG12 H 1 1.19 0.02 . 1 . . . . . 234 ILE HG12 . 50632 1 122 . 1 . 1 15 15 ILE HG13 H 1 1.78 0.02 . 1 . . . . . 234 ILE HG13 . 50632 1 123 . 1 . 1 15 15 ILE HG21 H 1 0.93 0.02 . 1 . . . . . 234 ILE HG21 . 50632 1 124 . 1 . 1 15 15 ILE HG22 H 1 0.93 0.02 . 1 . . . . . 234 ILE HG22 . 50632 1 125 . 1 . 1 15 15 ILE HG23 H 1 0.93 0.02 . 1 . . . . . 234 ILE HG23 . 50632 1 126 . 1 . 1 15 15 ILE HD11 H 1 0.87 0.02 . 1 . . . . . 234 ILE HD11 . 50632 1 127 . 1 . 1 15 15 ILE HD12 H 1 0.87 0.02 . 1 . . . . . 234 ILE HD12 . 50632 1 128 . 1 . 1 15 15 ILE HD13 H 1 0.87 0.02 . 1 . . . . . 234 ILE HD13 . 50632 1 129 . 1 . 1 15 15 ILE CA C 13 64.46 0.02 . 1 . . . . . 234 ILE CA . 50632 1 130 . 1 . 1 15 15 ILE CB C 13 37.32 0.02 . 1 . . . . . 234 ILE CB . 50632 1 131 . 1 . 1 16 16 LEU H H 1 8.16 0.02 . 1 . . . . . 235 LEU H . 50632 1 132 . 1 . 1 16 16 LEU HA H 1 4.04 0.02 . 1 . . . . . 235 LEU HA . 50632 1 133 . 1 . 1 16 16 LEU HB2 H 1 1.85 0.02 . 2 . . . . . 235 LEU HB2 . 50632 1 134 . 1 . 1 16 16 LEU HB3 H 1 1.85 0.02 . 2 . . . . . 235 LEU HB3 . 50632 1 135 . 1 . 1 16 16 LEU HG H 1 1.53 0.02 . 1 . . . . . 235 LEU HG . 50632 1 136 . 1 . 1 16 16 LEU HD11 H 1 0.91 0.02 . 2 . . . . . 235 LEU MD1 . 50632 1 137 . 1 . 1 16 16 LEU HD12 H 1 0.91 0.02 . 2 . . . . . 235 LEU MD1 . 50632 1 138 . 1 . 1 16 16 LEU HD13 H 1 0.91 0.02 . 2 . . . . . 235 LEU MD1 . 50632 1 139 . 1 . 1 16 16 LEU HD21 H 1 0.88 0.02 . 2 . . . . . 235 LEU MD2 . 50632 1 140 . 1 . 1 16 16 LEU HD22 H 1 0.88 0.02 . 2 . . . . . 235 LEU MD2 . 50632 1 141 . 1 . 1 16 16 LEU HD23 H 1 0.88 0.02 . 2 . . . . . 235 LEU MD2 . 50632 1 142 . 1 . 1 16 16 LEU CA C 13 57.69 0.02 . 1 . . . . . 235 LEU CA . 50632 1 143 . 1 . 1 16 16 LEU CB C 13 41.12 0.02 . 1 . . . . . 235 LEU CB . 50632 1 144 . 1 . 1 17 17 LYS H H 1 7.90 0.02 . 1 . . . . . 236 LYS H . 50632 1 145 . 1 . 1 17 17 LYS HA H 1 4.07 0.02 . 1 . . . . . 236 LYS HA . 50632 1 146 . 1 . 1 17 17 LYS HB2 H 1 2.02 0.02 . 2 . . . . . 236 LYS HB2 . 50632 1 147 . 1 . 1 17 17 LYS HB3 H 1 2.02 0.02 . 2 . . . . . 236 LYS HB3 . 50632 1 148 . 1 . 1 17 17 LYS HG2 H 1 1.46 0.02 . 2 . . . . . 236 LYS HG2 . 50632 1 149 . 1 . 1 17 17 LYS HG3 H 1 1.46 0.02 . 2 . . . . . 236 LYS HG3 . 50632 1 150 . 1 . 1 17 17 LYS HD2 H 1 1.73 0.02 . 1 . . . . . 236 LYS HD2 . 50632 1 151 . 1 . 1 17 17 LYS HD3 H 1 1.59 0.02 . 1 . . . . . 236 LYS HD3 . 50632 1 152 . 1 . 1 17 17 LYS HE2 H 1 2.94 0.02 . 1 . . . . . 236 LYS HE2 . 50632 1 153 . 1 . 1 17 17 LYS HE3 H 1 2.94 0.02 . 1 . . . . . 236 LYS HE3 . 50632 1 154 . 1 . 1 17 17 LYS CA C 13 57.79 0.02 . 1 . . . . . 236 LYS CA . 50632 1 155 . 1 . 1 17 17 LYS CB C 13 32.06 0.02 . 1 . . . . . 236 LYS CB . 50632 1 156 . 1 . 1 18 18 LEU H H 1 8.19 0.02 . 1 . . . . . 237 LEU H . 50632 1 157 . 1 . 1 18 18 LEU HA H 1 4.16 0.02 . 1 . . . . . 237 LEU HA . 50632 1 158 . 1 . 1 18 18 LEU HB2 H 1 1.91 0.02 . 2 . . . . . 237 LEU HB2 . 50632 1 159 . 1 . 1 18 18 LEU HB3 H 1 1.91 0.02 . 2 . . . . . 237 LEU HB3 . 50632 1 160 . 1 . 1 18 18 LEU HG H 1 1.65 0.02 . 1 . . . . . 237 LEU HG . 50632 1 161 . 1 . 1 18 18 LEU HD11 H 1 0.91 0.02 . 2 . . . . . 237 LEU MD1 . 50632 1 162 . 1 . 1 18 18 LEU HD12 H 1 0.91 0.02 . 2 . . . . . 237 LEU MD1 . 50632 1 163 . 1 . 1 18 18 LEU HD13 H 1 0.91 0.02 . 2 . . . . . 237 LEU MD1 . 50632 1 164 . 1 . 1 18 18 LEU HD21 H 1 0.88 0.02 . 2 . . . . . 237 LEU MD2 . 50632 1 165 . 1 . 1 18 18 LEU HD22 H 1 0.88 0.02 . 2 . . . . . 237 LEU MD2 . 50632 1 166 . 1 . 1 18 18 LEU HD23 H 1 0.88 0.02 . 2 . . . . . 237 LEU MD2 . 50632 1 167 . 1 . 1 18 18 LEU CA C 13 56.78 0.02 . 1 . . . . . 237 LEU CA . 50632 1 168 . 1 . 1 18 18 LEU CB C 13 41.66 0.02 . 1 . . . . . 237 LEU CB . 50632 1 169 . 1 . 1 19 19 LEU H H 1 7.77 0.02 . 1 . . . . . 238 LEU H . 50632 1 170 . 1 . 1 19 19 LEU HA H 1 4.18 0.02 . 1 . . . . . 238 LEU HA . 50632 1 171 . 1 . 1 19 19 LEU HB2 H 1 1.95 0.02 . 2 . . . . . 238 LEU HB2 . 50632 1 172 . 1 . 1 19 19 LEU HB3 H 1 1.95 0.02 . 2 . . . . . 238 LEU HB3 . 50632 1 173 . 1 . 1 19 19 LEU HG H 1 1.22 0.02 . 1 . . . . . 238 LEU HG . 50632 1 174 . 1 . 1 19 19 LEU HD11 H 1 0.91 0.02 . 2 . . . . . 238 LEU MD1 . 50632 1 175 . 1 . 1 19 19 LEU HD12 H 1 0.91 0.02 . 2 . . . . . 238 LEU MD1 . 50632 1 176 . 1 . 1 19 19 LEU HD13 H 1 0.91 0.02 . 2 . . . . . 238 LEU MD1 . 50632 1 177 . 1 . 1 19 19 LEU HD21 H 1 0.88 0.02 . 2 . . . . . 238 LEU MD2 . 50632 1 178 . 1 . 1 19 19 LEU HD22 H 1 0.88 0.02 . 2 . . . . . 238 LEU MD2 . 50632 1 179 . 1 . 1 19 19 LEU HD23 H 1 0.88 0.02 . 2 . . . . . 238 LEU MD2 . 50632 1 180 . 1 . 1 19 19 LEU CA C 13 56.88 0.02 . 1 . . . . . 238 LEU CA . 50632 1 181 . 1 . 1 19 19 LEU CB C 13 41.66 0.02 . 1 . . . . . 238 LEU CB . 50632 1 182 . 1 . 1 20 20 THR H H 1 8.09 0.02 . 1 . . . . . 239 THR H . 50632 1 183 . 1 . 1 20 20 THR HA H 1 4.17 0.02 . 1 . . . . . 239 THR HA . 50632 1 184 . 1 . 1 20 20 THR HB H 1 4.25 0.02 . 1 . . . . . 239 THR HB . 50632 1 185 . 1 . 1 20 20 THR HG21 H 1 1.22 0.02 . 1 . . . . . 239 THR HG21 . 50632 1 186 . 1 . 1 20 20 THR HG22 H 1 1.22 0.02 . 1 . . . . . 239 THR HG22 . 50632 1 187 . 1 . 1 20 20 THR HG23 H 1 1.22 0.02 . 1 . . . . . 239 THR HG23 . 50632 1 188 . 1 . 1 20 20 THR CA C 13 61.21 0.02 . 1 . . . . . 239 THR CA . 50632 1 189 . 1 . 1 20 20 THR CB C 13 69.05 0.02 . 1 . . . . . 239 THR CB . 50632 1 190 . 1 . 1 21 21 TYR H H 1 8.04 0.02 . 1 . . . . . 240 TYR H . 50632 1 191 . 1 . 1 21 21 TYR HA H 1 4.39 0.02 . 1 . . . . . 240 TYR HA . 50632 1 192 . 1 . 1 21 21 TYR HB2 H 1 3.20 0.02 . 2 . . . . . 240 TYR HB2 . 50632 1 193 . 1 . 1 21 21 TYR HB3 H 1 3.13 0.02 . 2 . . . . . 240 TYR HB3 . 50632 1 194 . 1 . 1 21 21 TYR HD1 H 1 7.18 0.02 . 3 . . . . . 240 TYR HD1 . 50632 1 195 . 1 . 1 21 21 TYR HD2 H 1 7.18 0.02 . 3 . . . . . 240 TYR HD2 . 50632 1 196 . 1 . 1 21 21 TYR HE1 H 1 6.74 0.02 . 3 . . . . . 240 TYR HE1 . 50632 1 197 . 1 . 1 21 21 TYR HE2 H 1 6.74 0.02 . 3 . . . . . 240 TYR HE2 . 50632 1 198 . 1 . 1 21 21 TYR CA C 13 58.79 0.02 . 1 . . . . . 240 TYR CA . 50632 1 199 . 1 . 1 21 21 TYR CB C 13 37.78 0.02 . 1 . . . . . 240 TYR CB . 50632 1 200 . 1 . 1 22 22 ASN H H 1 8.12 0.02 . 1 . . . . . 241 ASN H . 50632 1 201 . 1 . 1 22 22 ASN HA H 1 4.52 0.02 . 1 . . . . . 241 ASN HA . 50632 1 202 . 1 . 1 22 22 ASN HB2 H 1 2.83 0.02 . 2 . . . . . 241 ASN HB2 . 50632 1 203 . 1 . 1 22 22 ASN HB3 H 1 2.83 0.02 . 2 . . . . . 241 ASN HB3 . 50632 1 204 . 1 . 1 22 22 ASN HD21 H 1 7.67 0.02 . 2 . . . . . 241 ASN HD21 . 50632 1 205 . 1 . 1 22 22 ASN HD22 H 1 6.83 0.02 . 2 . . . . . 241 ASN HD22 . 50632 1 206 . 1 . 1 22 22 ASN CA C 13 55.12 0.02 . 1 . . . . . 241 ASN CA . 50632 1 207 . 1 . 1 22 22 ASN CB C 13 38.41 0.02 . 1 . . . . . 241 ASN CB . 50632 1 208 . 1 . 1 23 23 VAL H H 1 7.76 0.02 . 1 . . . . . 242 VAL H . 50632 1 209 . 1 . 1 23 23 VAL HA H 1 4.03 0.02 . 1 . . . . . 242 VAL HA . 50632 1 210 . 1 . 1 23 23 VAL HB H 1 2.21 0.02 . 1 . . . . . 242 VAL HB . 50632 1 211 . 1 . 1 23 23 VAL HG11 H 1 0.99 0.02 . 2 . . . . . 242 VAL HG11 . 50632 1 212 . 1 . 1 23 23 VAL HG12 H 1 0.95 0.02 . 2 . . . . . 242 VAL HG12 . 50632 1 213 . 1 . 1 23 23 VAL HG13 H 1 0.95 0.02 . 2 . . . . . 242 VAL HG12 . 50632 1 214 . 1 . 1 23 23 VAL CA C 13 63.63 0.02 . 1 . . . . . 242 VAL CA . 50632 1 215 . 1 . 1 23 23 VAL CB C 13 31.97 0.02 . 1 . . . . . 242 VAL CB . 50632 1 216 . 1 . 1 24 24 LEU H H 1 7.84 0.02 . 1 . . . . . 243 LEU H . 50632 1 217 . 1 . 1 24 24 LEU HA H 1 4.12 0.02 . 1 . . . . . 243 LEU HA . 50632 1 218 . 1 . 1 24 24 LEU HB2 H 1 1.53 0.02 . 2 . . . . . 243 LEU HB2 . 50632 1 219 . 1 . 1 24 24 LEU HB3 H 1 1.53 0.02 . 2 . . . . . 243 LEU HB3 . 50632 1 220 . 1 . 1 24 24 LEU HG H 1 1.18 0.02 . 1 . . . . . 243 LEU HG . 50632 1 221 . 1 . 1 24 24 LEU HD11 H 1 0.88 0.02 . 2 . . . . . 243 LEU MD1 . 50632 1 222 . 1 . 1 24 24 LEU HD12 H 1 0.88 0.02 . 2 . . . . . 243 LEU MD1 . 50632 1 223 . 1 . 1 24 24 LEU HD13 H 1 0.88 0.02 . 2 . . . . . 243 LEU MD1 . 50632 1 224 . 1 . 1 24 24 LEU HD21 H 1 0.79 0.02 . 2 . . . . . 243 LEU MD2 . 50632 1 225 . 1 . 1 24 24 LEU HD22 H 1 0.79 0.02 . 2 . . . . . 243 LEU MD2 . 50632 1 226 . 1 . 1 24 24 LEU HD23 H 1 0.79 0.02 . 2 . . . . . 243 LEU MD2 . 50632 1 227 . 1 . 1 24 24 LEU CA C 13 57.48 0.02 . 1 . . . . . 243 LEU CA . 50632 1 228 . 1 . 1 24 24 LEU CB C 13 42.24 0.02 . 1 . . . . . 243 LEU CB . 50632 1 229 . 1 . 1 25 25 PHE H H 1 7.78 0.02 . 1 . . . . . 244 PHE H . 50632 1 230 . 1 . 1 25 25 PHE HA H 1 4.68 0.02 . 1 . . . . . 244 PHE HA . 50632 1 231 . 1 . 1 25 25 PHE HB2 H 1 3.26 0.02 . 2 . . . . . 244 PHE HB2 . 50632 1 232 . 1 . 1 25 25 PHE HB3 H 1 2.91 0.02 . 2 . . . . . 244 PHE HB3 . 50632 1 233 . 1 . 1 25 25 PHE HD1 H 1 6.97 0.02 . 3 . . . . . 244 PHE HD1 . 50632 1 234 . 1 . 1 25 25 PHE HD2 H 1 6.97 0.02 . 3 . . . . . 244 PHE HD2 . 50632 1 235 . 1 . 1 25 25 PHE HE1 H 1 7.27 0.02 . 3 . . . . . 244 PHE HE1 . 50632 1 236 . 1 . 1 25 25 PHE HE2 H 1 7.27 0.02 . 3 . . . . . 244 PHE HE2 . 50632 1 237 . 1 . 1 25 25 PHE CA C 13 57.30 0.02 . 1 . . . . . 244 PHE CA . 50632 1 238 . 1 . 1 25 25 PHE CB C 13 39.24 0.02 . 1 . . . . . 244 PHE CB . 50632 1 239 . 1 . 1 26 26 SER H H 1 7.95 0.02 . 1 . . . . . 245 SER H . 50632 1 240 . 1 . 1 26 26 SER HA H 1 4.36 0.02 . 1 . . . . . 245 SER HA . 50632 1 241 . 1 . 1 26 26 SER HB2 H 1 3.92 0.02 . 2 . . . . . 245 SER HB2 . 50632 1 242 . 1 . 1 26 26 SER HB3 H 1 3.92 0.02 . 2 . . . . . 245 SER HB3 . 50632 1 243 . 1 . 1 26 26 SER CA C 13 58.45 0.02 . 1 . . . . . 245 SER CA . 50632 1 244 . 1 . 1 26 26 SER CB C 13 63.69 0.02 . 1 . . . . . 245 SER CB . 50632 1 stop_ save_