data_34686 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34686 _Entry.Title ; Refined structure of the T193A mutant in the C-terminal domain of DNAJB6b ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-21 _Entry.Accession_date 2021-11-21 _Entry.Last_release_date 2022-03-23 _Entry.Original_release_date 2022-03-23 _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. Karamanos T. K. . . 34686 2 E. Cawood E. E. . . 34686 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 34686 'Hsp40 chaperone' . 34686 anti-aggregation . 34686 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34686 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 101 34686 '15N chemical shifts' 50 34686 '1H chemical shifts' 53 34686 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 . . 2022-06-09 2021-11-21 update BMRB 'update entry citation' 34686 1 . . 2022-03-28 2021-11-21 original author 'original release' 34686 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7QBY 'BMRB Entry Tracking System' 34686 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34686 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35247211 _Citation.DOI 10.1002/anie.202116403 _Citation.Full_citation . _Citation.Title ; Microsecond Backbone Motions Modulate the Oligomerization of the DNAJB6 Chaperone. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full . _Citation.Journal_volume 61 _Citation.Journal_issue 20 _Citation.Journal_ASTM ACIEAY _Citation.Journal_ISSN 1521-3773 _Citation.Journal_CSD 0179 _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 e202116403 _Citation.Page_last e202116403 _Citation.Year 2022 _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 E. Cawood E. E. . . 34686 1 2 G. Clore G. M. . . 34686 1 3 T. Karamanos T. K. . . 34686 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34686 _Assembly.ID 1 _Assembly.Name 'DNAJ HOMOLOG SUBFAMILY B MEMBER 6 C-TERMINAL DOMAIN' _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 . . . . . . 34686 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34686 _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 ; MGNFKSISASTKMVNGRKIT TKRIVENGQERVEVEEDGQL KSLTINGKEQLLRLDNK ; _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 57 _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 6444.378 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The C terminal domain of DNAJB6b including the T193A mutation' _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 HHDJ1 common 34686 1 HSJ-2 common 34686 1 'Heat shock protein J2' common 34686 1 MRJ common 34686 1 MSJ-1 common 34686 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 1 185 MET . 34686 1 2 186 GLY . 34686 1 3 187 ASN . 34686 1 4 188 PHE . 34686 1 5 189 LYS . 34686 1 6 190 SER . 34686 1 7 191 ILE . 34686 1 8 192 SER . 34686 1 9 193 ALA . 34686 1 10 194 SER . 34686 1 11 195 THR . 34686 1 12 196 LYS . 34686 1 13 197 MET . 34686 1 14 198 VAL . 34686 1 15 199 ASN . 34686 1 16 200 GLY . 34686 1 17 201 ARG . 34686 1 18 202 LYS . 34686 1 19 203 ILE . 34686 1 20 204 THR . 34686 1 21 205 THR . 34686 1 22 206 LYS . 34686 1 23 207 ARG . 34686 1 24 208 ILE . 34686 1 25 209 VAL . 34686 1 26 210 GLU . 34686 1 27 211 ASN . 34686 1 28 212 GLY . 34686 1 29 213 GLN . 34686 1 30 214 GLU . 34686 1 31 215 ARG . 34686 1 32 216 VAL . 34686 1 33 217 GLU . 34686 1 34 218 VAL . 34686 1 35 219 GLU . 34686 1 36 220 GLU . 34686 1 37 221 ASP . 34686 1 38 222 GLY . 34686 1 39 223 GLN . 34686 1 40 224 LEU . 34686 1 41 225 LYS . 34686 1 42 226 SER . 34686 1 43 227 LEU . 34686 1 44 228 THR . 34686 1 45 229 ILE . 34686 1 46 230 ASN . 34686 1 47 231 GLY . 34686 1 48 232 LYS . 34686 1 49 233 GLU . 34686 1 50 234 GLN . 34686 1 51 235 LEU . 34686 1 52 236 LEU . 34686 1 53 237 ARG . 34686 1 54 238 LEU . 34686 1 55 239 ASP . 34686 1 56 240 ASN . 34686 1 57 241 LYS . 34686 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 . MET 1 1 34686 1 . GLY 2 2 34686 1 . ASN 3 3 34686 1 . PHE 4 4 34686 1 . LYS 5 5 34686 1 . SER 6 6 34686 1 . ILE 7 7 34686 1 . SER 8 8 34686 1 . ALA 9 9 34686 1 . SER 10 10 34686 1 . THR 11 11 34686 1 . LYS 12 12 34686 1 . MET 13 13 34686 1 . VAL 14 14 34686 1 . ASN 15 15 34686 1 . GLY 16 16 34686 1 . ARG 17 17 34686 1 . LYS 18 18 34686 1 . ILE 19 19 34686 1 . THR 20 20 34686 1 . THR 21 21 34686 1 . LYS 22 22 34686 1 . ARG 23 23 34686 1 . ILE 24 24 34686 1 . VAL 25 25 34686 1 . GLU 26 26 34686 1 . ASN 27 27 34686 1 . GLY 28 28 34686 1 . GLN 29 29 34686 1 . GLU 30 30 34686 1 . ARG 31 31 34686 1 . VAL 32 32 34686 1 . GLU 33 33 34686 1 . VAL 34 34 34686 1 . GLU 35 35 34686 1 . GLU 36 36 34686 1 . ASP 37 37 34686 1 . GLY 38 38 34686 1 . GLN 39 39 34686 1 . LEU 40 40 34686 1 . LYS 41 41 34686 1 . SER 42 42 34686 1 . LEU 43 43 34686 1 . THR 44 44 34686 1 . ILE 45 45 34686 1 . ASN 46 46 34686 1 . GLY 47 47 34686 1 . LYS 48 48 34686 1 . GLU 49 49 34686 1 . GLN 50 50 34686 1 . LEU 51 51 34686 1 . LEU 52 52 34686 1 . ARG 53 53 34686 1 . LEU 54 54 34686 1 . ASP 55 55 34686 1 . ASN 56 56 34686 1 . LYS 57 57 34686 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 34686 _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 . . . . . . . . . . . 'DNAJB6, HSJ2, MRJ, MSJ1' . 34686 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 34686 _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(DE3)' . . 469008 . . . . . . . . . . . . 34686 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34686 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-13C; U-15N] DNAJ HOMOLOG SUBFAMILY B MEMBER 6 C-TERMINAL DOMAIN, 20 mM sodium phosphate, 150 mM sodium chloride, 0.02 % v/v sodium azide, 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 'DNAJ HOMOLOG SUBFAMILY B MEMBER 6 C-TERMINAL DOMAIN' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.2 . . mM . . . . 34686 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34686 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34686 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% v/v' . . . . 34686 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 34686 _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' 87 . mM 34686 1 pH 6.7 . pH 34686 1 pressure 1 . atm 34686 1 temperature 288 . K 34686 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34686 _Software.ID 1 _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' . . 34686 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34686 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34686 _Software.ID 2 _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' . . 34686 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34686 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34686 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34686 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34686 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 34686 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34686 _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 III' . 600 . . . 34686 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 34686 _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 1H-13C NOESY HCH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34686 1 2 '3D 1H-13C NOESY CCH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34686 1 3 'JHNHA ARTSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34686 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34686 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 34686 _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 water protons . . . . ppm 4.7 internal indirect 0.25144953 . . . . . 34686 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 34686 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 34686 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 34686 _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 1H-13C NOESY HCH' . . . 34686 1 2 '3D 1H-13C NOESY CCH' . . . 34686 1 3 'JHNHA ARTSY' . . . 34686 1 4 '3D HNCACB' . . . 34686 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 4 4 PHE CA C 13 55.570 . . 2 . . . . A 188 PHE CA . 34686 1 2 . 1 . 1 4 4 PHE CB C 13 39.915 . . 2 . . . . A 188 PHE CB . 34686 1 3 . 1 . 1 4 4 PHE N N 15 119.169 . . 2 . . . . A 188 PHE N . 34686 1 4 . 1 . 1 5 5 LYS HA H 1 4.762 . . 2 . . . . A 189 LYS HA . 34686 1 5 . 1 . 1 5 5 LYS CA C 13 55.492 . . 2 . . . . A 189 LYS CA . 34686 1 6 . 1 . 1 5 5 LYS CB C 13 34.517 . . 2 . . . . A 189 LYS CB . 34686 1 7 . 1 . 1 5 5 LYS N N 15 122.520 . . 2 . . . . A 189 LYS N . 34686 1 8 . 1 . 1 6 6 SER HA H 1 4.634 . . 2 . . . . A 190 SER HA . 34686 1 9 . 1 . 1 6 6 SER CA C 13 57.299 . . 2 . . . . A 190 SER CA . 34686 1 10 . 1 . 1 6 6 SER CB C 13 64.675 . . 2 . . . . A 190 SER CB . 34686 1 11 . 1 . 1 6 6 SER N N 15 116.610 . . 2 . . . . A 190 SER N . 34686 1 12 . 1 . 1 7 7 ILE HA H 1 4.809 . . 2 . . . . A 191 ILE HA . 34686 1 13 . 1 . 1 7 7 ILE HB H 1 1.723 . . 2 . . . . A 191 ILE HB . 34686 1 14 . 1 . 1 7 7 ILE CA C 13 60.842 . . 2 . . . . A 191 ILE CA . 34686 1 15 . 1 . 1 7 7 ILE CB C 13 40.669 . . 2 . . . . A 191 ILE CB . 34686 1 16 . 1 . 1 7 7 ILE N N 15 121.667 . . 2 . . . . A 191 ILE N . 34686 1 17 . 1 . 1 8 8 SER HA H 1 4.777 . . 2 . . . . A 192 SER HA . 34686 1 18 . 1 . 1 8 8 SER CA C 13 56.993 . . 2 . . . . A 192 SER CA . 34686 1 19 . 1 . 1 8 8 SER CB C 13 64.903 . . 2 . . . . A 192 SER CB . 34686 1 20 . 1 . 1 8 8 SER N N 15 119.344 . . 2 . . . . A 192 SER N . 34686 1 21 . 1 . 1 9 9 ALA HA H 1 5.406 . . 2 . . . . A 193 ALA HA . 34686 1 22 . 1 . 1 9 9 ALA HB1 H 1 1.247 . . 2 . . . . A 193 ALA HB1 . 34686 1 23 . 1 . 1 9 9 ALA HB2 H 1 1.247 . . 2 . . . . A 193 ALA HB2 . 34686 1 24 . 1 . 1 9 9 ALA HB3 H 1 1.247 . . 2 . . . . A 193 ALA HB3 . 34686 1 25 . 1 . 1 9 9 ALA CA C 13 51.083 . . 2 . . . . A 193 ALA CA . 34686 1 26 . 1 . 1 9 9 ALA CB C 13 21.944 . . 2 . . . . A 193 ALA CB . 34686 1 27 . 1 . 1 10 10 SER HA H 1 4.756 . . 2 . . . . A 194 SER HA . 34686 1 28 . 1 . 1 10 10 SER CA C 13 57.124 . . 2 . . . . A 194 SER CA . 34686 1 29 . 1 . 1 10 10 SER CB C 13 65.425 . . 2 . . . . A 194 SER CB . 34686 1 30 . 1 . 1 10 10 SER N N 15 113.416 . . 2 . . . . A 194 SER N . 34686 1 31 . 1 . 1 11 11 THR HA H 1 5.319 . . 2 . . . . A 195 THR HA . 34686 1 32 . 1 . 1 11 11 THR HB H 1 3.799 . . 2 . . . . A 195 THR HB . 34686 1 33 . 1 . 1 11 11 THR CA C 13 61.622 . . 2 . . . . A 195 THR CA . 34686 1 34 . 1 . 1 11 11 THR CB C 13 71.437 . . 2 . . . . A 195 THR CB . 34686 1 35 . 1 . 1 11 11 THR N N 15 117.647 . . 2 . . . . A 195 THR N . 34686 1 36 . 1 . 1 12 12 LYS HA H 1 4.620 . . 2 . . . . A 196 LYS HA . 34686 1 37 . 1 . 1 12 12 LYS CA C 13 54.563 . . 2 . . . . A 196 LYS CA . 34686 1 38 . 1 . 1 12 12 LYS CB C 13 35.576 . . 2 . . . . A 196 LYS CB . 34686 1 39 . 1 . 1 12 12 LYS N N 15 123.596 . . 2 . . . . A 196 LYS N . 34686 1 40 . 1 . 1 13 13 MET HA H 1 5.385 . . 2 . . . . A 197 MET HA . 34686 1 41 . 1 . 1 13 13 MET CA C 13 52.985 . . 2 . . . . A 197 MET CA . 34686 1 42 . 1 . 1 13 13 MET CB C 13 31.403 . . 2 . . . . A 197 MET CB . 34686 1 43 . 1 . 1 13 13 MET N N 15 118.825 . . 2 . . . . A 197 MET N . 34686 1 44 . 1 . 1 14 14 VAL CA C 13 61.626 . . 2 . . . . A 198 VAL CA . 34686 1 45 . 1 . 1 14 14 VAL CB C 13 33.548 . . 2 . . . . A 198 VAL CB . 34686 1 46 . 1 . 1 14 14 VAL N N 15 123.512 . . 2 . . . . A 198 VAL N . 34686 1 47 . 1 . 1 15 15 ASN HA H 1 4.404 . . 2 . . . . A 199 ASN HA . 34686 1 48 . 1 . 1 15 15 ASN CA C 13 54.269 . . 2 . . . . A 199 ASN CA . 34686 1 49 . 1 . 1 15 15 ASN CB C 13 37.406 . . 2 . . . . A 199 ASN CB . 34686 1 50 . 1 . 1 15 15 ASN N N 15 125.650 . . 2 . . . . A 199 ASN N . 34686 1 51 . 1 . 1 16 16 GLY CA C 13 45.457 . . 2 . . . . A 200 GLY CA . 34686 1 52 . 1 . 1 16 16 GLY N N 15 101.048 . . 2 . . . . A 200 GLY N . 34686 1 53 . 1 . 1 17 17 ARG CA C 13 54.668 . . 2 . . . . A 201 ARG CA . 34686 1 54 . 1 . 1 17 17 ARG CB C 13 31.840 . . 2 . . . . A 201 ARG CB . 34686 1 55 . 1 . 1 17 17 ARG N N 15 119.109 . . 2 . . . . A 201 ARG N . 34686 1 56 . 1 . 1 18 18 LYS HA H 1 4.664 . . 2 . . . . A 202 LYS HA . 34686 1 57 . 1 . 1 18 18 LYS CA C 13 56.320 . . 2 . . . . A 202 LYS CA . 34686 1 58 . 1 . 1 18 18 LYS CB C 13 32.946 . . 2 . . . . A 202 LYS CB . 34686 1 59 . 1 . 1 18 18 LYS N N 15 122.703 . . 2 . . . . A 202 LYS N . 34686 1 60 . 1 . 1 19 19 ILE HA H 1 5.079 . . 2 . . . . A 203 ILE HA . 34686 1 61 . 1 . 1 19 19 ILE HB H 1 1.964 . . 2 . . . . A 203 ILE HB . 34686 1 62 . 1 . 1 19 19 ILE CA C 13 59.484 . . 2 . . . . A 203 ILE CA . 34686 1 63 . 1 . 1 19 19 ILE CB C 13 37.750 . . 2 . . . . A 203 ILE CB . 34686 1 64 . 1 . 1 19 19 ILE N N 15 128.621 . . 2 . . . . A 203 ILE N . 34686 1 65 . 1 . 1 20 20 THR HA H 1 5.241 . . 2 . . . . A 204 THR HA . 34686 1 66 . 1 . 1 20 20 THR HB H 1 3.969 . . 2 . . . . A 204 THR HB . 34686 1 67 . 1 . 1 20 20 THR CA C 13 61.365 . . 2 . . . . A 204 THR CA . 34686 1 68 . 1 . 1 20 20 THR CB C 13 70.626 . . 2 . . . . A 204 THR CB . 34686 1 69 . 1 . 1 20 20 THR N N 15 125.322 . . 2 . . . . A 204 THR N . 34686 1 70 . 1 . 1 21 21 THR HA H 1 5.042 . . 2 . . . . A 205 THR HA . 34686 1 71 . 1 . 1 21 21 THR HB H 1 3.911 . . 2 . . . . A 205 THR HB . 34686 1 72 . 1 . 1 21 21 THR CA C 13 61.953 . . 2 . . . . A 205 THR CA . 34686 1 73 . 1 . 1 21 21 THR CB C 13 69.796 . . 2 . . . . A 205 THR CB . 34686 1 74 . 1 . 1 21 21 THR N N 15 122.275 . . 2 . . . . A 205 THR N . 34686 1 75 . 1 . 1 22 22 LYS HA H 1 5.060 . . 2 . . . . A 206 LYS HA . 34686 1 76 . 1 . 1 22 22 LYS CA C 13 54.850 . . 2 . . . . A 206 LYS CA . 34686 1 77 . 1 . 1 22 22 LYS CB C 13 35.114 . . 2 . . . . A 206 LYS CB . 34686 1 78 . 1 . 1 22 22 LYS N N 15 128.344 . . 2 . . . . A 206 LYS N . 34686 1 79 . 1 . 1 23 23 ARG HA H 1 5.126 . . 2 . . . . A 207 ARG HA . 34686 1 80 . 1 . 1 23 23 ARG CA C 13 55.018 . . 2 . . . . A 207 ARG CA . 34686 1 81 . 1 . 1 23 23 ARG CB C 13 31.804 . . 2 . . . . A 207 ARG CB . 34686 1 82 . 1 . 1 23 23 ARG N N 15 122.220 . . 2 . . . . A 207 ARG N . 34686 1 83 . 1 . 1 24 24 ILE HA H 1 4.813 . . 2 . . . . A 208 ILE HA . 34686 1 84 . 1 . 1 24 24 ILE CA C 13 60.442 . . 2 . . . . A 208 ILE CA . 34686 1 85 . 1 . 1 24 24 ILE CB C 13 41.165 . . 2 . . . . A 208 ILE CB . 34686 1 86 . 1 . 1 24 24 ILE N N 15 126.929 . . 2 . . . . A 208 ILE N . 34686 1 87 . 1 . 1 25 25 VAL HA H 1 4.885 . . 2 . . . . A 209 VAL HA . 34686 1 88 . 1 . 1 25 25 VAL HB H 1 1.996 . . 2 . . . . A 209 VAL HB . 34686 1 89 . 1 . 1 25 25 VAL CA C 13 61.185 . . 2 . . . . A 209 VAL CA . 34686 1 90 . 1 . 1 25 25 VAL CB C 13 32.984 . . 2 . . . . A 209 VAL CB . 34686 1 91 . 1 . 1 26 26 GLU N N 15 123.783 . . 2 . . . . A 210 GLU N . 34686 1 92 . 1 . 1 27 27 ASN CA C 13 54.624 . . 2 . . . . A 211 ASN CA . 34686 1 93 . 1 . 1 27 27 ASN CB C 13 37.425 . . 2 . . . . A 211 ASN CB . 34686 1 94 . 1 . 1 28 28 GLY CA C 13 45.488 . . 2 . . . . A 212 GLY CA . 34686 1 95 . 1 . 1 28 28 GLY N N 15 102.379 . . 2 . . . . A 212 GLY N . 34686 1 96 . 1 . 1 29 29 GLN HA H 1 4.747 . . 2 . . . . A 213 GLN HA . 34686 1 97 . 1 . 1 29 29 GLN CA C 13 54.124 . . 2 . . . . A 213 GLN CA . 34686 1 98 . 1 . 1 29 29 GLN CB C 13 31.026 . . 2 . . . . A 213 GLN CB . 34686 1 99 . 1 . 1 29 29 GLN N N 15 117.970 . . 2 . . . . A 213 GLN N . 34686 1 100 . 1 . 1 30 30 GLU HA H 1 5.033 . . 2 . . . . A 214 GLU HA . 34686 1 101 . 1 . 1 30 30 GLU CA C 13 55.200 . . 2 . . . . A 214 GLU CA . 34686 1 102 . 1 . 1 30 30 GLU CB C 13 32.055 . . 2 . . . . A 214 GLU CB . 34686 1 103 . 1 . 1 30 30 GLU N N 15 122.967 . . 2 . . . . A 214 GLU N . 34686 1 104 . 1 . 1 31 31 ARG CA C 13 56.005 . . 2 . . . . A 215 ARG CA . 34686 1 105 . 1 . 1 31 31 ARG N N 15 127.274 . . 2 . . . . A 215 ARG N . 34686 1 106 . 1 . 1 32 32 VAL HA H 1 5.139 . . 2 . . . . A 216 VAL HA . 34686 1 107 . 1 . 1 32 32 VAL HB H 1 2.093 . . 2 . . . . A 216 VAL HB . 34686 1 108 . 1 . 1 32 32 VAL CA C 13 61.107 . . 2 . . . . A 216 VAL CA . 34686 1 109 . 1 . 1 32 32 VAL CB C 13 32.885 . . 2 . . . . A 216 VAL CB . 34686 1 110 . 1 . 1 32 32 VAL N N 15 123.260 . . 2 . . . . A 216 VAL N . 34686 1 111 . 1 . 1 33 33 GLU HA H 1 5.094 . . 2 . . . . A 217 GLU HA . 34686 1 112 . 1 . 1 33 33 GLU CA C 13 54.358 . . 2 . . . . A 217 GLU CA . 34686 1 113 . 1 . 1 33 33 GLU CB C 13 32.371 . . 2 . . . . A 217 GLU CB . 34686 1 114 . 1 . 1 33 33 GLU N N 15 126.249 . . 2 . . . . A 217 GLU N . 34686 1 115 . 1 . 1 34 34 VAL HA H 1 4.989 . . 2 . . . . A 218 VAL HA . 34686 1 116 . 1 . 1 34 34 VAL HB H 1 1.971 . . 2 . . . . A 218 VAL HB . 34686 1 117 . 1 . 1 34 34 VAL CA C 13 61.463 . . 2 . . . . A 218 VAL CA . 34686 1 118 . 1 . 1 34 34 VAL CB C 13 33.565 . . 2 . . . . A 218 VAL CB . 34686 1 119 . 1 . 1 34 34 VAL N N 15 121.358 . . 2 . . . . A 218 VAL N . 34686 1 120 . 1 . 1 35 35 GLU HA H 1 5.085 . . 2 . . . . A 219 GLU HA . 34686 1 121 . 1 . 1 35 35 GLU CA C 13 53.849 . . 2 . . . . A 219 GLU CA . 34686 1 122 . 1 . 1 35 35 GLU CB C 13 33.292 . . 2 . . . . A 219 GLU CB . 34686 1 123 . 1 . 1 35 35 GLU N N 15 125.548 . . 2 . . . . A 219 GLU N . 34686 1 124 . 1 . 1 36 36 GLU HA H 1 5.066 . . 2 . . . . A 220 GLU HA . 34686 1 125 . 1 . 1 36 36 GLU CA C 13 54.310 . . 2 . . . . A 220 GLU CA . 34686 1 126 . 1 . 1 36 36 GLU CB C 13 32.522 . . 2 . . . . A 220 GLU CB . 34686 1 127 . 1 . 1 36 36 GLU N N 15 120.532 . . 2 . . . . A 220 GLU N . 34686 1 128 . 1 . 1 37 37 ASP CA C 13 56.046 . . 2 . . . . A 221 ASP CA . 34686 1 129 . 1 . 1 37 37 ASP CB C 13 40.037 . . 2 . . . . A 221 ASP CB . 34686 1 130 . 1 . 1 37 37 ASP N N 15 126.776 . . 2 . . . . A 221 ASP N . 34686 1 131 . 1 . 1 38 38 GLY CA C 13 45.509 . . 2 . . . . A 222 GLY CA . 34686 1 132 . 1 . 1 38 38 GLY N N 15 101.122 . . 2 . . . . A 222 GLY N . 34686 1 133 . 1 . 1 39 39 GLN CA C 13 53.771 . . 2 . . . . A 223 GLN CA . 34686 1 134 . 1 . 1 39 39 GLN CB C 13 30.268 . . 2 . . . . A 223 GLN CB . 34686 1 135 . 1 . 1 39 39 GLN N N 15 117.295 . . 2 . . . . A 223 GLN N . 34686 1 136 . 1 . 1 40 40 LEU HA H 1 4.244 . . 2 . . . . A 224 LEU HA . 34686 1 137 . 1 . 1 40 40 LEU CA C 13 56.744 . . 2 . . . . A 224 LEU CA . 34686 1 138 . 1 . 1 40 40 LEU CB C 13 41.039 . . 2 . . . . A 224 LEU CB . 34686 1 139 . 1 . 1 40 40 LEU N N 15 125.663 . . 2 . . . . A 224 LEU N . 34686 1 140 . 1 . 1 41 41 LYS HA H 1 4.550 . . 2 . . . . A 225 LYS HA . 34686 1 141 . 1 . 1 41 41 LYS CA C 13 55.265 . . 2 . . . . A 225 LYS CA . 34686 1 142 . 1 . 1 41 41 LYS CB C 13 34.098 . . 2 . . . . A 225 LYS CB . 34686 1 143 . 1 . 1 41 41 LYS N N 15 124.671 . . 2 . . . . A 225 LYS N . 34686 1 144 . 1 . 1 42 42 SER HA H 1 4.739 . . 2 . . . . A 226 SER HA . 34686 1 145 . 1 . 1 42 42 SER CA C 13 57.088 . . 2 . . . . A 226 SER CA . 34686 1 146 . 1 . 1 42 42 SER CB C 13 64.258 . . 2 . . . . A 226 SER CB . 34686 1 147 . 1 . 1 42 42 SER N N 15 111.525 . . 2 . . . . A 226 SER N . 34686 1 148 . 1 . 1 43 43 LEU HA H 1 5.365 . . 2 . . . . A 227 LEU HA . 34686 1 149 . 1 . 1 43 43 LEU CA C 13 54.186 . . 2 . . . . A 227 LEU CA . 34686 1 150 . 1 . 1 43 43 LEU CB C 13 45.465 . . 2 . . . . A 227 LEU CB . 34686 1 151 . 1 . 1 44 44 THR HA H 1 5.107 . . 2 . . . . A 228 THR HA . 34686 1 152 . 1 . 1 44 44 THR HB H 1 3.651 . . 2 . . . . A 228 THR HB . 34686 1 153 . 1 . 1 44 44 THR CA C 13 59.443 . . 2 . . . . A 228 THR CA . 34686 1 154 . 1 . 1 44 44 THR CB C 13 71.106 . . 2 . . . . A 228 THR CB . 34686 1 155 . 1 . 1 44 44 THR N N 15 116.370 . . 2 . . . . A 228 THR N . 34686 1 156 . 1 . 1 45 45 ILE HA H 1 4.642 . . 2 . . . . A 229 ILE HA . 34686 1 157 . 1 . 1 45 45 ILE HB H 1 1.679 . . 2 . . . . A 229 ILE HB . 34686 1 158 . 1 . 1 45 45 ILE CA C 13 60.413 . . 2 . . . . A 229 ILE CA . 34686 1 159 . 1 . 1 45 45 ILE CB C 13 39.614 . . 2 . . . . A 229 ILE CB . 34686 1 160 . 1 . 1 45 45 ILE N N 15 119.438 . . 2 . . . . A 229 ILE N . 34686 1 161 . 1 . 1 46 46 ASN HA H 1 4.614 . . 2 . . . . A 230 ASN HA . 34686 1 162 . 1 . 1 46 46 ASN CA C 13 54.181 . . 2 . . . . A 230 ASN CA . 34686 1 163 . 1 . 1 46 46 ASN CB C 13 37.256 . . 2 . . . . A 230 ASN CB . 34686 1 164 . 1 . 1 46 46 ASN N N 15 127.320 . . 2 . . . . A 230 ASN N . 34686 1 165 . 1 . 1 47 47 GLY CA C 13 45.244 . . 2 . . . . A 231 GLY CA . 34686 1 166 . 1 . 1 47 47 GLY N N 15 100.859 . . 2 . . . . A 231 GLY N . 34686 1 167 . 1 . 1 48 48 LYS CA C 13 54.717 . . 2 . . . . A 232 LYS CA . 34686 1 168 . 1 . 1 48 48 LYS CB C 13 32.461 . . 2 . . . . A 232 LYS CB . 34686 1 169 . 1 . 1 48 48 LYS N N 15 118.705 . . 2 . . . . A 232 LYS N . 34686 1 170 . 1 . 1 49 49 GLU HA H 1 4.299 . . 2 . . . . A 233 GLU HA . 34686 1 171 . 1 . 1 49 49 GLU CA C 13 57.329 . . 2 . . . . A 233 GLU CA . 34686 1 172 . 1 . 1 49 49 GLU CB C 13 29.841 . . 2 . . . . A 233 GLU CB . 34686 1 173 . 1 . 1 49 49 GLU N N 15 128.539 . . 2 . . . . A 233 GLU N . 34686 1 174 . 1 . 1 50 50 GLN HA H 1 4.430 . . 2 . . . . A 234 GLN HA . 34686 1 175 . 1 . 1 50 50 GLN CA C 13 54.343 . . 2 . . . . A 234 GLN CA . 34686 1 176 . 1 . 1 50 50 GLN CB C 13 30.684 . . 2 . . . . A 234 GLN CB . 34686 1 177 . 1 . 1 50 50 GLN N N 15 122.046 . . 2 . . . . A 234 GLN N . 34686 1 178 . 1 . 1 51 51 LEU HA H 1 4.494 . . 2 . . . . A 235 LEU HA . 34686 1 179 . 1 . 1 51 51 LEU CA C 13 55.605 . . 2 . . . . A 235 LEU CA . 34686 1 180 . 1 . 1 51 51 LEU CB C 13 41.062 . . 2 . . . . A 235 LEU CB . 34686 1 181 . 1 . 1 51 51 LEU N N 15 121.155 . . 2 . . . . A 235 LEU N . 34686 1 182 . 1 . 1 52 52 LEU HA H 1 4.415 . . 2 . . . . A 236 LEU HA . 34686 1 183 . 1 . 1 52 52 LEU CA C 13 55.006 . . 2 . . . . A 236 LEU CA . 34686 1 184 . 1 . 1 52 52 LEU CB C 13 41.800 . . 2 . . . . A 236 LEU CB . 34686 1 185 . 1 . 1 52 52 LEU N N 15 121.781 . . 2 . . . . A 236 LEU N . 34686 1 186 . 1 . 1 53 53 ARG HA H 1 4.399 . . 2 . . . . A 237 ARG HA . 34686 1 187 . 1 . 1 53 53 ARG CA C 13 55.761 . . 2 . . . . A 237 ARG CA . 34686 1 188 . 1 . 1 53 53 ARG CB C 13 30.565 . . 2 . . . . A 237 ARG CB . 34686 1 189 . 1 . 1 53 53 ARG N N 15 120.193 . . 2 . . . . A 237 ARG N . 34686 1 190 . 1 . 1 54 54 LEU HA H 1 4.379 . . 2 . . . . A 238 LEU HA . 34686 1 191 . 1 . 1 54 54 LEU CA C 13 55.037 . . 2 . . . . A 238 LEU CA . 34686 1 192 . 1 . 1 54 54 LEU CB C 13 42.058 . . 2 . . . . A 238 LEU CB . 34686 1 193 . 1 . 1 54 54 LEU N N 15 121.873 . . 2 . . . . A 238 LEU N . 34686 1 194 . 1 . 1 55 55 ASP HA H 1 4.596 . . 2 . . . . A 239 ASP HA . 34686 1 195 . 1 . 1 55 55 ASP CA C 13 54.082 . . 2 . . . . A 239 ASP CA . 34686 1 196 . 1 . 1 55 55 ASP CB C 13 40.996 . . 2 . . . . A 239 ASP CB . 34686 1 197 . 1 . 1 55 55 ASP N N 15 118.269 . . 2 . . . . A 239 ASP N . 34686 1 198 . 1 . 1 56 56 ASN HA H 1 4.664 . . 2 . . . . A 240 ASN HA . 34686 1 199 . 1 . 1 56 56 ASN CA C 13 53.389 . . 2 . . . . A 240 ASN CA . 34686 1 200 . 1 . 1 56 56 ASN CB C 13 38.746 . . 2 . . . . A 240 ASN CB . 34686 1 201 . 1 . 1 56 56 ASN N N 15 116.899 . . 2 . . . . A 240 ASN N . 34686 1 202 . 1 . 1 57 57 LYS CA C 13 57.656 . . 2 . . . . A 241 LYS CA . 34686 1 203 . 1 . 1 57 57 LYS CB C 13 33.065 . . 2 . . . . A 241 LYS CB . 34686 1 204 . 1 . 1 57 57 LYS N N 15 124.253 . . 2 . . . . A 241 LYS N . 34686 1 stop_ save_