data_28064 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28064 _Entry.Title ; Solution structure of hSNF5 RPT1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-01-22 _Entry.Accession_date 2020-01-22 _Entry.Last_release_date 2020-01-22 _Entry.Original_release_date 2020-01-22 _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 ; 2D 1H-15N HSQC 3D CBCA(CO)NH 3D HNCACB ; _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 Jeongmin Han . . . . 28064 2 Iktae Kim . . . . 28064 3 Jeong-Yong Suh . . . . 28064 4 Weontae Lee . . . . 28064 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28064 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 170 28064 '15N chemical shifts' 78 28064 '1H chemical shifts' 78 28064 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-07-16 . original BMRB . 28064 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27243 . 28064 BMRB 28062 'RPT1 with SWIRM heterodimer' 28064 BMRB 28063 'SWIRM with RPT1 heterodimer' 28064 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28064 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32244797 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A Coil-to-Helix Transition Serves as a Binding Motif for hSNF5 and BAF155 Interaction ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci.' _Citation.Journal_name_full 'International journal of molecular sciences' _Citation.Journal_volume 21 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1422-0067 _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 2452 _Citation.Page_last 2452 _Citation.Year 2020 _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 Jeongmin Han J. . . . 28064 1 2 Iktae Kim I. . . . 28064 1 3 Jae-Hyun Park J. H. . . 28064 1 4 Ji-Hye Yun J. H. . . 28064 1 5 Keehyoung Joo K. . . . 28064 1 6 Taehee Kim T. . . . 28064 1 7 Gye-Young Park G. Y. . . 28064 1 8 Kyoung-Seok Ryu K. S. . . 28064 1 9 Yoon-Joo Ko Y. J. . . 28064 1 10 Kenji Mizutani K. . . . 28064 1 11 Sam-Young Park S. Y. . . 28064 1 12 'Rho Hyun' Seong R. H. . . 28064 1 13 Jooyoung Lee J. . . . 28064 1 14 Jeong-Yong Suh J. Y. . . 28064 1 15 Weontae Lee W. . . . 28064 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28064 _Assembly.ID 1 _Assembly.Name 'RPT1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'subunit 1' 1 $RPT1 A . yes native no no . . . 28064 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RPT1 _Entity.Sf_category entity _Entity.Sf_framecode RPT1 _Entity.Entry_ID 28064 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RPT1 _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 ; HDPAVIHENASQPEVLVPIR LDMEIDGQKLRDAFTWNMNE KLMTPEMFSEILCDDLDLNP LTFVPAIASAIRQQIESYPT DSILEDQS ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . _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 1 171 HIS . 28064 1 2 172 ASP . 28064 1 3 173 PRO . 28064 1 4 174 ALA . 28064 1 5 175 VAL . 28064 1 6 176 ILE . 28064 1 7 177 HIS . 28064 1 8 178 GLU . 28064 1 9 179 ASN . 28064 1 10 180 ALA . 28064 1 11 181 SER . 28064 1 12 182 GLN . 28064 1 13 183 PRO . 28064 1 14 184 GLU . 28064 1 15 185 VAL . 28064 1 16 186 LEU . 28064 1 17 187 VAL . 28064 1 18 188 PRO . 28064 1 19 189 ILE . 28064 1 20 190 ARG . 28064 1 21 191 LEU . 28064 1 22 192 ASP . 28064 1 23 193 MET . 28064 1 24 194 GLU . 28064 1 25 195 ILE . 28064 1 26 196 ASP . 28064 1 27 197 GLY . 28064 1 28 198 GLN . 28064 1 29 199 LYS . 28064 1 30 200 LEU . 28064 1 31 201 ARG . 28064 1 32 202 ASP . 28064 1 33 203 ALA . 28064 1 34 204 PHE . 28064 1 35 205 THR . 28064 1 36 206 TRP . 28064 1 37 207 ASN . 28064 1 38 208 MET . 28064 1 39 209 ASN . 28064 1 40 210 GLU . 28064 1 41 211 LYS . 28064 1 42 212 LEU . 28064 1 43 213 MET . 28064 1 44 214 THR . 28064 1 45 215 PRO . 28064 1 46 216 GLU . 28064 1 47 217 MET . 28064 1 48 218 PHE . 28064 1 49 219 SER . 28064 1 50 220 GLU . 28064 1 51 221 ILE . 28064 1 52 222 LEU . 28064 1 53 223 CYS . 28064 1 54 224 ASP . 28064 1 55 225 ASP . 28064 1 56 226 LEU . 28064 1 57 227 ASP . 28064 1 58 228 LEU . 28064 1 59 229 ASN . 28064 1 60 230 PRO . 28064 1 61 231 LEU . 28064 1 62 232 THR . 28064 1 63 233 PHE . 28064 1 64 234 VAL . 28064 1 65 235 PRO . 28064 1 66 236 ALA . 28064 1 67 237 ILE . 28064 1 68 238 ALA . 28064 1 69 239 SER . 28064 1 70 240 ALA . 28064 1 71 241 ILE . 28064 1 72 242 ARG . 28064 1 73 243 GLN . 28064 1 74 244 GLN . 28064 1 75 245 ILE . 28064 1 76 246 GLU . 28064 1 77 247 SER . 28064 1 78 248 TYR . 28064 1 79 249 PRO . 28064 1 80 250 THR . 28064 1 81 251 ASP . 28064 1 82 252 SER . 28064 1 83 253 ILE . 28064 1 84 254 LEU . 28064 1 85 255 GLU . 28064 1 86 256 ASP . 28064 1 87 257 GLN . 28064 1 88 258 SER . 28064 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 . HIS 1 1 28064 1 . ASP 2 2 28064 1 . PRO 3 3 28064 1 . ALA 4 4 28064 1 . VAL 5 5 28064 1 . ILE 6 6 28064 1 . HIS 7 7 28064 1 . GLU 8 8 28064 1 . ASN 9 9 28064 1 . ALA 10 10 28064 1 . SER 11 11 28064 1 . GLN 12 12 28064 1 . PRO 13 13 28064 1 . GLU 14 14 28064 1 . VAL 15 15 28064 1 . LEU 16 16 28064 1 . VAL 17 17 28064 1 . PRO 18 18 28064 1 . ILE 19 19 28064 1 . ARG 20 20 28064 1 . LEU 21 21 28064 1 . ASP 22 22 28064 1 . MET 23 23 28064 1 . GLU 24 24 28064 1 . ILE 25 25 28064 1 . ASP 26 26 28064 1 . GLY 27 27 28064 1 . GLN 28 28 28064 1 . LYS 29 29 28064 1 . LEU 30 30 28064 1 . ARG 31 31 28064 1 . ASP 32 32 28064 1 . ALA 33 33 28064 1 . PHE 34 34 28064 1 . THR 35 35 28064 1 . TRP 36 36 28064 1 . ASN 37 37 28064 1 . MET 38 38 28064 1 . ASN 39 39 28064 1 . GLU 40 40 28064 1 . LYS 41 41 28064 1 . LEU 42 42 28064 1 . MET 43 43 28064 1 . THR 44 44 28064 1 . PRO 45 45 28064 1 . GLU 46 46 28064 1 . MET 47 47 28064 1 . PHE 48 48 28064 1 . SER 49 49 28064 1 . GLU 50 50 28064 1 . ILE 51 51 28064 1 . LEU 52 52 28064 1 . CYS 53 53 28064 1 . ASP 54 54 28064 1 . ASP 55 55 28064 1 . LEU 56 56 28064 1 . ASP 57 57 28064 1 . LEU 58 58 28064 1 . ASN 59 59 28064 1 . PRO 60 60 28064 1 . LEU 61 61 28064 1 . THR 62 62 28064 1 . PHE 63 63 28064 1 . VAL 64 64 28064 1 . PRO 65 65 28064 1 . ALA 66 66 28064 1 . ILE 67 67 28064 1 . ALA 68 68 28064 1 . SER 69 69 28064 1 . ALA 70 70 28064 1 . ILE 71 71 28064 1 . ARG 72 72 28064 1 . GLN 73 73 28064 1 . GLN 74 74 28064 1 . ILE 75 75 28064 1 . GLU 76 76 28064 1 . SER 77 77 28064 1 . TYR 78 78 28064 1 . PRO 79 79 28064 1 . THR 80 80 28064 1 . ASP 81 81 28064 1 . SER 82 82 28064 1 . ILE 83 83 28064 1 . LEU 84 84 28064 1 . GLU 85 85 28064 1 . ASP 86 86 28064 1 . GLN 87 87 28064 1 . SER 88 88 28064 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 28064 _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 $RPT1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 28064 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 28064 _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 $RPT1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21b . . . 28064 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28064 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 RPT1 '[U-99% 13C; U-99% 15N]' . . 1 $RPT1 . . 0.5 . . mM 0.05 . . . 28064 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 28064 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 28064 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 28064 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 28064 _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' 100 . mM 28064 1 pH 7.0 . pH 28064 1 pressure 1 . atm 28064 1 temperature 298 . K 28064 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 28064 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version NMRFAM-SPARKY _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' . . 28064 1 Goddard . . 28064 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28064 1 processing . 28064 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 28064 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 28064 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 28064 _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 spectrometer_1 Bruker Avance . 500 . . . 28064 1 2 spectrometer_2 Bruker Avance . 850 . . . 28064 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 28064 _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 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28064 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28064 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28064 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28064 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28064 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28064 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 28064 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 28064 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28064 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28064 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 28064 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 6 '3D 1H-13C NOESY aliphatic' . . . 28064 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 $SPARKY . . 28064 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 HIS H H 1 8.401 . . . . . . . . 171 HIS H . 28064 1 2 . 1 . 1 1 1 HIS CA C 13 55.290 . . . . . . . . 171 HIS CA . 28064 1 3 . 1 . 1 1 1 HIS CB C 13 29.930 . . . . . . . . 171 HIS CB . 28064 1 4 . 1 . 1 1 1 HIS N N 15 119.800 . . . . . . . . 171 HIS N . 28064 1 5 . 1 . 1 2 2 ASP H H 1 8.228 . . . . . . . . 172 ASP H . 28064 1 6 . 1 . 1 2 2 ASP CA C 13 52.040 . . . . . . . . 172 ASP CA . 28064 1 7 . 1 . 1 2 2 ASP CB C 13 40.900 . . . . . . . . 172 ASP CB . 28064 1 8 . 1 . 1 2 2 ASP N N 15 123.600 . . . . . . . . 172 ASP N . 28064 1 9 . 1 . 1 3 3 PRO CA C 13 63.250 . . . . . . . . 173 PRO CA . 28064 1 10 . 1 . 1 3 3 PRO CB C 13 31.920 . . . . . . . . 173 PRO CB . 28064 1 11 . 1 . 1 4 4 ALA H H 1 8.331 . . . . . . . . 174 ALA H . 28064 1 12 . 1 . 1 4 4 ALA CA C 13 52.560 . . . . . . . . 174 ALA CA . 28064 1 13 . 1 . 1 4 4 ALA CB C 13 19.010 . . . . . . . . 174 ALA CB . 28064 1 14 . 1 . 1 4 4 ALA N N 15 122.800 . . . . . . . . 174 ALA N . 28064 1 15 . 1 . 1 5 5 VAL H H 1 7.797 . . . . . . . . 175 VAL H . 28064 1 16 . 1 . 1 5 5 VAL CA C 13 62.080 . . . . . . . . 175 VAL CA . 28064 1 17 . 1 . 1 5 5 VAL CB C 13 32.530 . . . . . . . . 175 VAL CB . 28064 1 18 . 1 . 1 5 5 VAL N N 15 119.000 . . . . . . . . 175 VAL N . 28064 1 19 . 1 . 1 6 6 ILE H H 1 8.028 . . . . . . . . 176 ILE H . 28064 1 20 . 1 . 1 6 6 ILE CA C 13 60.560 . . . . . . . . 176 ILE CA . 28064 1 21 . 1 . 1 6 6 ILE CB C 13 38.350 . . . . . . . . 176 ILE CB . 28064 1 22 . 1 . 1 6 6 ILE N N 15 124.500 . . . . . . . . 176 ILE N . 28064 1 23 . 1 . 1 7 7 HIS H H 1 8.437 . . . . . . . . 177 HIS H . 28064 1 24 . 1 . 1 7 7 HIS CA C 13 55.290 . . . . . . . . 177 HIS CA . 28064 1 25 . 1 . 1 7 7 HIS CB C 13 29.800 . . . . . . . . 177 HIS CB . 28064 1 26 . 1 . 1 7 7 HIS N N 15 123.600 . . . . . . . . 177 HIS N . 28064 1 27 . 1 . 1 8 8 GLU H H 1 8.478 . . . . . . . . 178 GLU H . 28064 1 28 . 1 . 1 8 8 GLU CA C 13 56.580 . . . . . . . . 178 GLU CA . 28064 1 29 . 1 . 1 8 8 GLU CB C 13 30.100 . . . . . . . . 178 GLU CB . 28064 1 30 . 1 . 1 8 8 GLU N N 15 122.900 . . . . . . . . 178 GLU N . 28064 1 31 . 1 . 1 9 9 ASN H H 1 8.567 . . . . . . . . 179 ASN H . 28064 1 32 . 1 . 1 9 9 ASN CA C 13 53.060 . . . . . . . . 179 ASN CA . 28064 1 33 . 1 . 1 9 9 ASN CB C 13 38.650 . . . . . . . . 179 ASN CB . 28064 1 34 . 1 . 1 9 9 ASN N N 15 119.900 . . . . . . . . 179 ASN N . 28064 1 35 . 1 . 1 10 10 ALA H H 1 8.254 . . . . . . . . 180 ALA H . 28064 1 36 . 1 . 1 10 10 ALA CA C 13 52.500 . . . . . . . . 180 ALA CA . 28064 1 37 . 1 . 1 10 10 ALA CB C 13 19.210 . . . . . . . . 180 ALA CB . 28064 1 38 . 1 . 1 10 10 ALA N N 15 124.500 . . . . . . . . 180 ALA N . 28064 1 39 . 1 . 1 11 11 SER H H 1 8.250 . . . . . . . . 181 SER H . 28064 1 40 . 1 . 1 11 11 SER CA C 13 58.230 . . . . . . . . 181 SER CA . 28064 1 41 . 1 . 1 11 11 SER CB C 13 63.470 . . . . . . . . 181 SER CB . 28064 1 42 . 1 . 1 11 11 SER N N 15 115.200 . . . . . . . . 181 SER N . 28064 1 43 . 1 . 1 12 12 GLN H H 1 8.169 . . . . . . . . 182 GLN H . 28064 1 44 . 1 . 1 12 12 GLN CA C 13 53.350 . . . . . . . . 182 GLN CA . 28064 1 45 . 1 . 1 12 12 GLN CB C 13 29.160 . . . . . . . . 182 GLN CB . 28064 1 46 . 1 . 1 12 12 GLN N N 15 122.400 . . . . . . . . 182 GLN N . 28064 1 47 . 1 . 1 13 13 PRO CA C 13 62.900 . . . . . . . . 183 PRO CA . 28064 1 48 . 1 . 1 13 13 PRO CB C 13 31.960 . . . . . . . . 183 PRO CB . 28064 1 49 . 1 . 1 14 14 GLU H H 1 8.502 . . . . . . . . 184 GLU H . 28064 1 50 . 1 . 1 14 14 GLU CA C 13 56.250 . . . . . . . . 184 GLU CA . 28064 1 51 . 1 . 1 14 14 GLU CB C 13 30.420 . . . . . . . . 184 GLU CB . 28064 1 52 . 1 . 1 14 14 GLU N N 15 121.400 . . . . . . . . 184 GLU N . 28064 1 53 . 1 . 1 15 15 VAL H H 1 7.954 . . . . . . . . 185 VAL H . 28064 1 54 . 1 . 1 15 15 VAL CA C 13 62.140 . . . . . . . . 185 VAL CA . 28064 1 55 . 1 . 1 15 15 VAL CB C 13 33.040 . . . . . . . . 185 VAL CB . 28064 1 56 . 1 . 1 15 15 VAL N N 15 124.900 . . . . . . . . 185 VAL N . 28064 1 57 . 1 . 1 16 16 LEU H H 1 8.231 . . . . . . . . 186 LEU H . 28064 1 58 . 1 . 1 16 16 LEU CA C 13 53.170 . . . . . . . . 186 LEU CA . 28064 1 59 . 1 . 1 16 16 LEU CB C 13 42.170 . . . . . . . . 186 LEU CB . 28064 1 60 . 1 . 1 16 16 LEU N N 15 126.000 . . . . . . . . 186 LEU N . 28064 1 61 . 1 . 1 17 17 VAL H H 1 9.133 . . . . . . . . 187 VAL H . 28064 1 62 . 1 . 1 17 17 VAL CA C 13 58.450 . . . . . . . . 187 VAL CA . 28064 1 63 . 1 . 1 17 17 VAL CB C 13 34.300 . . . . . . . . 187 VAL CB . 28064 1 64 . 1 . 1 17 17 VAL N N 15 123.900 . . . . . . . . 187 VAL N . 28064 1 65 . 1 . 1 18 18 PRO CA C 13 62.560 . . . . . . . . 188 PRO CA . 28064 1 66 . 1 . 1 18 18 PRO CB C 13 31.650 . . . . . . . . 188 PRO CB . 28064 1 67 . 1 . 1 19 19 ILE H H 1 8.645 . . . . . . . . 189 ILE H . 28064 1 68 . 1 . 1 19 19 ILE CA C 13 57.230 . . . . . . . . 189 ILE CA . 28064 1 69 . 1 . 1 19 19 ILE CB C 13 36.790 . . . . . . . . 189 ILE CB . 28064 1 70 . 1 . 1 19 19 ILE N N 15 124.000 . . . . . . . . 189 ILE N . 28064 1 71 . 1 . 1 20 20 ARG H H 1 8.968 . . . . . . . . 190 ARG H . 28064 1 72 . 1 . 1 20 20 ARG CA C 13 54.780 . . . . . . . . 190 ARG CA . 28064 1 73 . 1 . 1 20 20 ARG CB C 13 32.060 . . . . . . . . 190 ARG CB . 28064 1 74 . 1 . 1 20 20 ARG N N 15 126.300 . . . . . . . . 190 ARG N . 28064 1 75 . 1 . 1 21 21 LEU H H 1 8.856 . . . . . . . . 191 LEU H . 28064 1 76 . 1 . 1 21 21 LEU CA C 13 52.890 . . . . . . . . 191 LEU CA . 28064 1 77 . 1 . 1 21 21 LEU CB C 13 43.910 . . . . . . . . 191 LEU CB . 28064 1 78 . 1 . 1 21 21 LEU N N 15 124.500 . . . . . . . . 191 LEU N . 28064 1 79 . 1 . 1 22 22 ASP H H 1 8.817 . . . . . . . . 192 ASP H . 28064 1 80 . 1 . 1 22 22 ASP CA C 13 53.930 . . . . . . . . 192 ASP CA . 28064 1 81 . 1 . 1 22 22 ASP CB C 13 40.600 . . . . . . . . 192 ASP CB . 28064 1 82 . 1 . 1 22 22 ASP N N 15 124.100 . . . . . . . . 192 ASP N . 28064 1 83 . 1 . 1 23 23 MET H H 1 8.974 . . . . . . . . 193 MET H . 28064 1 84 . 1 . 1 23 23 MET CA C 13 54.640 . . . . . . . . 193 MET CA . 28064 1 85 . 1 . 1 23 23 MET CB C 13 37.350 . . . . . . . . 193 MET CB . 28064 1 86 . 1 . 1 23 23 MET N N 15 120.700 . . . . . . . . 193 MET N . 28064 1 87 . 1 . 1 24 24 GLU H H 1 8.525 . . . . . . . . 194 GLU H . 28064 1 88 . 1 . 1 24 24 GLU CA C 13 55.540 . . . . . . . . 194 GLU CA . 28064 1 89 . 1 . 1 24 24 GLU CB C 13 31.920 . . . . . . . . 194 GLU CB . 28064 1 90 . 1 . 1 24 24 GLU N N 15 123.100 . . . . . . . . 194 GLU N . 28064 1 91 . 1 . 1 25 25 ILE H H 1 8.513 . . . . . . . . 195 ILE H . 28064 1 92 . 1 . 1 25 25 ILE CA C 13 60.800 . . . . . . . . 195 ILE CA . 28064 1 93 . 1 . 1 25 25 ILE CB C 13 39.800 . . . . . . . . 195 ILE CB . 28064 1 94 . 1 . 1 25 25 ILE N N 15 125.000 . . . . . . . . 195 ILE N . 28064 1 95 . 1 . 1 26 26 ASP H H 1 9.402 . . . . . . . . 196 ASP H . 28064 1 96 . 1 . 1 26 26 ASP CA C 13 55.140 . . . . . . . . 196 ASP CA . 28064 1 97 . 1 . 1 26 26 ASP CB C 13 39.610 . . . . . . . . 196 ASP CB . 28064 1 98 . 1 . 1 26 26 ASP N N 15 129.600 . . . . . . . . 196 ASP N . 28064 1 99 . 1 . 1 27 27 GLY H H 1 8.690 . . . . . . . . 197 GLY H . 28064 1 100 . 1 . 1 27 27 GLY CA C 13 45.350 . . . . . . . . 197 GLY CA . 28064 1 101 . 1 . 1 27 27 GLY N N 15 103.700 . . . . . . . . 197 GLY N . 28064 1 102 . 1 . 1 28 28 GLN H H 1 7.989 . . . . . . . . 198 GLN H . 28064 1 103 . 1 . 1 28 28 GLN CA C 13 54.590 . . . . . . . . 198 GLN CA . 28064 1 104 . 1 . 1 28 28 GLN CB C 13 30.660 . . . . . . . . 198 GLN CB . 28064 1 105 . 1 . 1 28 28 GLN N N 15 120.800 . . . . . . . . 198 GLN N . 28064 1 106 . 1 . 1 29 29 LYS H H 1 8.572 . . . . . . . . 199 LYS H . 28064 1 107 . 1 . 1 29 29 LYS CA C 13 55.570 . . . . . . . . 199 LYS CA . 28064 1 108 . 1 . 1 29 29 LYS CB C 13 34.870 . . . . . . . . 199 LYS CB . 28064 1 109 . 1 . 1 29 29 LYS N N 15 124.400 . . . . . . . . 199 LYS N . 28064 1 110 . 1 . 1 30 30 LEU H H 1 8.686 . . . . . . . . 200 LEU H . 28064 1 111 . 1 . 1 30 30 LEU CA C 13 54.510 . . . . . . . . 200 LEU CA . 28064 1 112 . 1 . 1 30 30 LEU CB C 13 44.920 . . . . . . . . 200 LEU CB . 28064 1 113 . 1 . 1 30 30 LEU N N 15 124.600 . . . . . . . . 200 LEU N . 28064 1 114 . 1 . 1 31 31 ARG H H 1 8.625 . . . . . . . . 201 ARG H . 28064 1 115 . 1 . 1 31 31 ARG CA C 13 54.560 . . . . . . . . 201 ARG CA . 28064 1 116 . 1 . 1 31 31 ARG CB C 13 31.840 . . . . . . . . 201 ARG CB . 28064 1 117 . 1 . 1 31 31 ARG N N 15 128.200 . . . . . . . . 201 ARG N . 28064 1 118 . 1 . 1 32 32 ASP H H 1 8.672 . . . . . . . . 202 ASP H . 28064 1 119 . 1 . 1 32 32 ASP CA C 13 53.120 . . . . . . . . 202 ASP CA . 28064 1 120 . 1 . 1 32 32 ASP CB C 13 44.300 . . . . . . . . 202 ASP CB . 28064 1 121 . 1 . 1 32 32 ASP N N 15 123.200 . . . . . . . . 202 ASP N . 28064 1 122 . 1 . 1 33 33 ALA H H 1 8.988 . . . . . . . . 203 ALA H . 28064 1 123 . 1 . 1 33 33 ALA CA C 13 51.430 . . . . . . . . 203 ALA CA . 28064 1 124 . 1 . 1 33 33 ALA CB C 13 21.540 . . . . . . . . 203 ALA CB . 28064 1 125 . 1 . 1 33 33 ALA N N 15 124.400 . . . . . . . . 203 ALA N . 28064 1 126 . 1 . 1 34 34 PHE H H 1 8.365 . . . . . . . . 204 PHE H . 28064 1 127 . 1 . 1 34 34 PHE CA C 13 55.980 . . . . . . . . 204 PHE CA . 28064 1 128 . 1 . 1 34 34 PHE CB C 13 39.420 . . . . . . . . 204 PHE CB . 28064 1 129 . 1 . 1 34 34 PHE N N 15 118.600 . . . . . . . . 204 PHE N . 28064 1 130 . 1 . 1 35 35 THR H H 1 8.577 . . . . . . . . 205 THR H . 28064 1 131 . 1 . 1 35 35 THR CA C 13 60.340 . . . . . . . . 205 THR CA . 28064 1 132 . 1 . 1 35 35 THR CB C 13 71.060 . . . . . . . . 205 THR CB . 28064 1 133 . 1 . 1 35 35 THR N N 15 112.300 . . . . . . . . 205 THR N . 28064 1 134 . 1 . 1 36 36 TRP H H 1 9.170 . . . . . . . . 206 TRP H . 28064 1 135 . 1 . 1 36 36 TRP CA C 13 55.530 . . . . . . . . 206 TRP CA . 28064 1 136 . 1 . 1 36 36 TRP CB C 13 32.030 . . . . . . . . 206 TRP CB . 28064 1 137 . 1 . 1 36 36 TRP N N 15 125.000 . . . . . . . . 206 TRP N . 28064 1 138 . 1 . 1 37 37 ASN H H 1 7.688 . . . . . . . . 207 ASN H . 28064 1 139 . 1 . 1 37 37 ASN CA C 13 51.110 . . . . . . . . 207 ASN CA . 28064 1 140 . 1 . 1 37 37 ASN CB C 13 38.000 . . . . . . . . 207 ASN CB . 28064 1 141 . 1 . 1 37 37 ASN N N 15 125.800 . . . . . . . . 207 ASN N . 28064 1 142 . 1 . 1 38 38 MET CA C 13 56.420 . . . . . . . . 208 MET CA . 28064 1 143 . 1 . 1 38 38 MET CB C 13 31.600 . . . . . . . . 208 MET CB . 28064 1 144 . 1 . 1 39 39 ASN H H 1 8.190 . . . . . . . . 209 ASN H . 28064 1 145 . 1 . 1 39 39 ASN CA C 13 52.580 . . . . . . . . 209 ASN CA . 28064 1 146 . 1 . 1 39 39 ASN CB C 13 38.360 . . . . . . . . 209 ASN CB . 28064 1 147 . 1 . 1 39 39 ASN N N 15 115.600 . . . . . . . . 209 ASN N . 28064 1 148 . 1 . 1 40 40 GLU H H 1 7.448 . . . . . . . . 210 GLU H . 28064 1 149 . 1 . 1 40 40 GLU CA C 13 56.660 . . . . . . . . 210 GLU CA . 28064 1 150 . 1 . 1 40 40 GLU CB C 13 29.750 . . . . . . . . 210 GLU CB . 28064 1 151 . 1 . 1 40 40 GLU N N 15 122.100 . . . . . . . . 210 GLU N . 28064 1 152 . 1 . 1 41 41 LYS H H 1 8.679 . . . . . . . . 211 LYS H . 28064 1 153 . 1 . 1 41 41 LYS CA C 13 55.940 . . . . . . . . 211 LYS CA . 28064 1 154 . 1 . 1 41 41 LYS CB C 13 33.870 . . . . . . . . 211 LYS CB . 28064 1 155 . 1 . 1 41 41 LYS N N 15 125.600 . . . . . . . . 211 LYS N . 28064 1 156 . 1 . 1 42 42 LEU H H 1 8.422 . . . . . . . . 212 LEU H . 28064 1 157 . 1 . 1 42 42 LEU CA C 13 56.070 . . . . . . . . 212 LEU CA . 28064 1 158 . 1 . 1 42 42 LEU CB C 13 42.900 . . . . . . . . 212 LEU CB . 28064 1 159 . 1 . 1 42 42 LEU N N 15 121.300 . . . . . . . . 212 LEU N . 28064 1 160 . 1 . 1 43 43 MET H H 1 8.542 . . . . . . . . 213 MET H . 28064 1 161 . 1 . 1 43 43 MET CA C 13 54.800 . . . . . . . . 213 MET CA . 28064 1 162 . 1 . 1 43 43 MET CB C 13 33.190 . . . . . . . . 213 MET CB . 28064 1 163 . 1 . 1 43 43 MET N N 15 120.100 . . . . . . . . 213 MET N . 28064 1 164 . 1 . 1 44 44 THR H H 1 7.743 . . . . . . . . 214 THR H . 28064 1 165 . 1 . 1 44 44 THR CA C 13 59.240 . . . . . . . . 214 THR CA . 28064 1 166 . 1 . 1 44 44 THR CB C 13 69.240 . . . . . . . . 214 THR CB . 28064 1 167 . 1 . 1 44 44 THR N N 15 115.800 . . . . . . . . 214 THR N . 28064 1 168 . 1 . 1 45 45 PRO CA C 13 66.010 . . . . . . . . 215 PRO CA . 28064 1 169 . 1 . 1 45 45 PRO CB C 13 31.920 . . . . . . . . 215 PRO CB . 28064 1 170 . 1 . 1 46 46 GLU H H 1 9.137 . . . . . . . . 216 GLU H . 28064 1 171 . 1 . 1 46 46 GLU CA C 13 62.520 . . . . . . . . 216 GLU CA . 28064 1 172 . 1 . 1 46 46 GLU CB C 13 28.070 . . . . . . . . 216 GLU CB . 28064 1 173 . 1 . 1 46 46 GLU N N 15 120.000 . . . . . . . . 216 GLU N . 28064 1 174 . 1 . 1 47 47 MET H H 1 8.009 . . . . . . . . 217 MET H . 28064 1 175 . 1 . 1 47 47 MET CA C 13 59.020 . . . . . . . . 217 MET CA . 28064 1 176 . 1 . 1 47 47 MET CB C 13 34.530 . . . . . . . . 217 MET CB . 28064 1 177 . 1 . 1 47 47 MET N N 15 120.900 . . . . . . . . 217 MET N . 28064 1 178 . 1 . 1 48 48 PHE H H 1 8.460 . . . . . . . . 218 PHE H . 28064 1 179 . 1 . 1 48 48 PHE CA C 13 61.410 . . . . . . . . 218 PHE CA . 28064 1 180 . 1 . 1 48 48 PHE CB C 13 39.990 . . . . . . . . 218 PHE CB . 28064 1 181 . 1 . 1 48 48 PHE N N 15 119.500 . . . . . . . . 218 PHE N . 28064 1 182 . 1 . 1 49 49 SER H H 1 8.196 . . . . . . . . 219 SER H . 28064 1 183 . 1 . 1 49 49 SER CA C 13 62.680 . . . . . . . . 219 SER CA . 28064 1 184 . 1 . 1 49 49 SER CB C 13 63.410 . . . . . . . . 219 SER CB . 28064 1 185 . 1 . 1 49 49 SER N N 15 115.000 . . . . . . . . 219 SER N . 28064 1 186 . 1 . 1 50 50 GLU CA C 13 59.970 . . . . . . . . 220 GLU CA . 28064 1 187 . 1 . 1 50 50 GLU CB C 13 29.380 . . . . . . . . 220 GLU CB . 28064 1 188 . 1 . 1 51 51 ILE H H 1 7.310 . . . . . . . . 221 ILE H . 28064 1 189 . 1 . 1 51 51 ILE CA C 13 64.670 . . . . . . . . 221 ILE CA . 28064 1 190 . 1 . 1 51 51 ILE CB C 13 37.840 . . . . . . . . 221 ILE CB . 28064 1 191 . 1 . 1 51 51 ILE N N 15 121.200 . . . . . . . . 221 ILE N . 28064 1 192 . 1 . 1 52 52 LEU H H 1 7.707 . . . . . . . . 222 LEU H . 28064 1 193 . 1 . 1 52 52 LEU CA C 13 57.880 . . . . . . . . 222 LEU CA . 28064 1 194 . 1 . 1 52 52 LEU CB C 13 41.880 . . . . . . . . 222 LEU CB . 28064 1 195 . 1 . 1 52 52 LEU N N 15 120.800 . . . . . . . . 222 LEU N . 28064 1 196 . 1 . 1 53 53 CYS H H 1 8.020 . . . . . . . . 223 CYS H . 28064 1 197 . 1 . 1 53 53 CYS CA C 13 64.330 . . . . . . . . 223 CYS CA . 28064 1 198 . 1 . 1 53 53 CYS CB C 13 25.910 . . . . . . . . 223 CYS CB . 28064 1 199 . 1 . 1 53 53 CYS N N 15 113.900 . . . . . . . . 223 CYS N . 28064 1 200 . 1 . 1 54 54 ASP H H 1 7.519 . . . . . . . . 224 ASP H . 28064 1 201 . 1 . 1 54 54 ASP CA C 13 56.750 . . . . . . . . 224 ASP CA . 28064 1 202 . 1 . 1 54 54 ASP CB C 13 40.780 . . . . . . . . 224 ASP CB . 28064 1 203 . 1 . 1 54 54 ASP N N 15 119.400 . . . . . . . . 224 ASP N . 28064 1 204 . 1 . 1 55 55 ASP H H 1 8.215 . . . . . . . . 225 ASP H . 28064 1 205 . 1 . 1 55 55 ASP CA C 13 57.050 . . . . . . . . 225 ASP CA . 28064 1 206 . 1 . 1 55 55 ASP CB C 13 40.690 . . . . . . . . 225 ASP CB . 28064 1 207 . 1 . 1 55 55 ASP N N 15 119.900 . . . . . . . . 225 ASP N . 28064 1 208 . 1 . 1 56 56 LEU H H 1 7.862 . . . . . . . . 226 LEU H . 28064 1 209 . 1 . 1 56 56 LEU CA C 13 54.210 . . . . . . . . 226 LEU CA . 28064 1 210 . 1 . 1 56 56 LEU CB C 13 42.080 . . . . . . . . 226 LEU CB . 28064 1 211 . 1 . 1 56 56 LEU N N 15 116.200 . . . . . . . . 226 LEU N . 28064 1 212 . 1 . 1 57 57 ASP H H 1 7.583 . . . . . . . . 227 ASP H . 28064 1 213 . 1 . 1 57 57 ASP CA C 13 55.120 . . . . . . . . 227 ASP CA . 28064 1 214 . 1 . 1 57 57 ASP CB C 13 38.870 . . . . . . . . 227 ASP CB . 28064 1 215 . 1 . 1 57 57 ASP N N 15 119.000 . . . . . . . . 227 ASP N . 28064 1 216 . 1 . 1 58 58 LEU H H 1 8.109 . . . . . . . . 228 LEU H . 28064 1 217 . 1 . 1 58 58 LEU CA C 13 52.480 . . . . . . . . 228 LEU CA . 28064 1 218 . 1 . 1 58 58 LEU CB C 13 43.590 . . . . . . . . 228 LEU CB . 28064 1 219 . 1 . 1 58 58 LEU N N 15 117.700 . . . . . . . . 228 LEU N . 28064 1 220 . 1 . 1 59 59 ASN H H 1 8.455 . . . . . . . . 229 ASN H . 28064 1 221 . 1 . 1 59 59 ASN CA C 13 51.000 . . . . . . . . 229 ASN CA . 28064 1 222 . 1 . 1 59 59 ASN CB C 13 38.560 . . . . . . . . 229 ASN CB . 28064 1 223 . 1 . 1 59 59 ASN N N 15 120.400 . . . . . . . . 229 ASN N . 28064 1 224 . 1 . 1 60 60 PRO CA C 13 64.370 . . . . . . . . 230 PRO CA . 28064 1 225 . 1 . 1 60 60 PRO CB C 13 32.340 . . . . . . . . 230 PRO CB . 28064 1 226 . 1 . 1 61 61 LEU H H 1 7.660 . . . . . . . . 231 LEU H . 28064 1 227 . 1 . 1 61 61 LEU CA C 13 57.320 . . . . . . . . 231 LEU CA . 28064 1 228 . 1 . 1 61 61 LEU CB C 13 41.400 . . . . . . . . 231 LEU CB . 28064 1 229 . 1 . 1 61 61 LEU N N 15 117.000 . . . . . . . . 231 LEU N . 28064 1 230 . 1 . 1 62 62 THR H H 1 6.972 . . . . . . . . 232 THR H . 28064 1 231 . 1 . 1 62 62 THR CA C 13 61.480 . . . . . . . . 232 THR CA . 28064 1 232 . 1 . 1 62 62 THR CB C 13 68.330 . . . . . . . . 232 THR CB . 28064 1 233 . 1 . 1 62 62 THR N N 15 105.500 . . . . . . . . 232 THR N . 28064 1 234 . 1 . 1 63 63 PHE H H 1 8.444 . . . . . . . . 233 PHE H . 28064 1 235 . 1 . 1 63 63 PHE CA C 13 62.870 . . . . . . . . 233 PHE CA . 28064 1 236 . 1 . 1 63 63 PHE CB C 13 40.730 . . . . . . . . 233 PHE CB . 28064 1 237 . 1 . 1 63 63 PHE N N 15 119.500 . . . . . . . . 233 PHE N . 28064 1 238 . 1 . 1 64 64 VAL H H 1 8.273 . . . . . . . . 234 VAL H . 28064 1 239 . 1 . 1 64 64 VAL CA C 13 69.250 . . . . . . . . 234 VAL CA . 28064 1 240 . 1 . 1 64 64 VAL CB C 13 28.000 . . . . . . . . 234 VAL CB . 28064 1 241 . 1 . 1 64 64 VAL N N 15 118.800 . . . . . . . . 234 VAL N . 28064 1 242 . 1 . 1 65 65 PRO CA C 13 64.810 . . . . . . . . 235 PRO CA . 28064 1 243 . 1 . 1 65 65 PRO CB C 13 30.410 . . . . . . . . 235 PRO CB . 28064 1 244 . 1 . 1 66 66 ALA H H 1 6.558 . . . . . . . . 236 ALA H . 28064 1 245 . 1 . 1 66 66 ALA CA C 13 54.930 . . . . . . . . 236 ALA CA . 28064 1 246 . 1 . 1 66 66 ALA CB C 13 19.030 . . . . . . . . 236 ALA CB . 28064 1 247 . 1 . 1 66 66 ALA N N 15 119.000 . . . . . . . . 236 ALA N . 28064 1 248 . 1 . 1 67 67 ILE H H 1 8.949 . . . . . . . . 237 ILE H . 28064 1 249 . 1 . 1 67 67 ILE CA C 13 65.820 . . . . . . . . 237 ILE CA . 28064 1 250 . 1 . 1 67 67 ILE CB C 13 38.230 . . . . . . . . 237 ILE CB . 28064 1 251 . 1 . 1 67 67 ILE N N 15 121.100 . . . . . . . . 237 ILE N . 28064 1 252 . 1 . 1 68 68 ALA H H 1 8.426 . . . . . . . . 238 ALA H . 28064 1 253 . 1 . 1 68 68 ALA CA C 13 55.960 . . . . . . . . 238 ALA CA . 28064 1 254 . 1 . 1 68 68 ALA CB C 13 18.050 . . . . . . . . 238 ALA CB . 28064 1 255 . 1 . 1 68 68 ALA N N 15 121.700 . . . . . . . . 238 ALA N . 28064 1 256 . 1 . 1 69 69 SER H H 1 7.742 . . . . . . . . 239 SER H . 28064 1 257 . 1 . 1 69 69 SER CA C 13 61.060 . . . . . . . . 239 SER CA . 28064 1 258 . 1 . 1 69 69 SER CB C 13 62.490 . . . . . . . . 239 SER CB . 28064 1 259 . 1 . 1 69 69 SER N N 15 110.300 . . . . . . . . 239 SER N . 28064 1 260 . 1 . 1 70 70 ALA H H 1 7.557 . . . . . . . . 240 ALA H . 28064 1 261 . 1 . 1 70 70 ALA CA C 13 55.090 . . . . . . . . 240 ALA CA . 28064 1 262 . 1 . 1 70 70 ALA CB C 13 18.220 . . . . . . . . 240 ALA CB . 28064 1 263 . 1 . 1 70 70 ALA N N 15 125.100 . . . . . . . . 240 ALA N . 28064 1 264 . 1 . 1 71 71 ILE H H 1 8.353 . . . . . . . . 241 ILE H . 28064 1 265 . 1 . 1 71 71 ILE CA C 13 65.850 . . . . . . . . 241 ILE CA . 28064 1 266 . 1 . 1 71 71 ILE CB C 13 38.330 . . . . . . . . 241 ILE CB . 28064 1 267 . 1 . 1 71 71 ILE N N 15 117.800 . . . . . . . . 241 ILE N . 28064 1 268 . 1 . 1 72 72 ARG H H 1 7.967 . . . . . . . . 242 ARG H . 28064 1 269 . 1 . 1 72 72 ARG CA C 13 60.740 . . . . . . . . 242 ARG CA . 28064 1 270 . 1 . 1 72 72 ARG CB C 13 29.580 . . . . . . . . 242 ARG CB . 28064 1 271 . 1 . 1 72 72 ARG N N 15 116.800 . . . . . . . . 242 ARG N . 28064 1 272 . 1 . 1 73 73 GLN H H 1 8.273 . . . . . . . . 243 GLN H . 28064 1 273 . 1 . 1 73 73 GLN CA C 13 58.700 . . . . . . . . 243 GLN CA . 28064 1 274 . 1 . 1 73 73 GLN CB C 13 28.540 . . . . . . . . 243 GLN CB . 28064 1 275 . 1 . 1 73 73 GLN N N 15 117.500 . . . . . . . . 243 GLN N . 28064 1 276 . 1 . 1 74 74 GLN H H 1 7.696 . . . . . . . . 244 GLN H . 28064 1 277 . 1 . 1 74 74 GLN CA C 13 58.830 . . . . . . . . 244 GLN CA . 28064 1 278 . 1 . 1 74 74 GLN CB C 13 29.230 . . . . . . . . 244 GLN CB . 28064 1 279 . 1 . 1 74 74 GLN N N 15 118.400 . . . . . . . . 244 GLN N . 28064 1 280 . 1 . 1 75 75 ILE H H 1 8.120 . . . . . . . . 245 ILE H . 28064 1 281 . 1 . 1 75 75 ILE CA C 13 64.750 . . . . . . . . 245 ILE CA . 28064 1 282 . 1 . 1 75 75 ILE CB C 13 38.080 . . . . . . . . 245 ILE CB . 28064 1 283 . 1 . 1 75 75 ILE N N 15 117.600 . . . . . . . . 245 ILE N . 28064 1 284 . 1 . 1 76 76 GLU H H 1 7.815 . . . . . . . . 246 GLU H . 28064 1 285 . 1 . 1 76 76 GLU CA C 13 58.290 . . . . . . . . 246 GLU CA . 28064 1 286 . 1 . 1 76 76 GLU CB C 13 29.460 . . . . . . . . 246 GLU CB . 28064 1 287 . 1 . 1 76 76 GLU N N 15 119.300 . . . . . . . . 246 GLU N . 28064 1 288 . 1 . 1 77 77 SER H H 1 7.622 . . . . . . . . 247 SER H . 28064 1 289 . 1 . 1 77 77 SER CA C 13 58.370 . . . . . . . . 247 SER CA . 28064 1 290 . 1 . 1 77 77 SER CB C 13 63.700 . . . . . . . . 247 SER CB . 28064 1 291 . 1 . 1 77 77 SER N N 15 112.000 . . . . . . . . 247 SER N . 28064 1 292 . 1 . 1 78 78 TYR H H 1 7.360 . . . . . . . . 248 TYR H . 28064 1 293 . 1 . 1 78 78 TYR CA C 13 56.230 . . . . . . . . 248 TYR CA . 28064 1 294 . 1 . 1 78 78 TYR CB C 13 39.710 . . . . . . . . 248 TYR CB . 28064 1 295 . 1 . 1 78 78 TYR N N 15 123.400 . . . . . . . . 248 TYR N . 28064 1 296 . 1 . 1 79 79 PRO CA C 13 63.100 . . . . . . . . 249 PRO CA . 28064 1 297 . 1 . 1 79 79 PRO CB C 13 31.380 . . . . . . . . 249 PRO CB . 28064 1 298 . 1 . 1 80 80 THR H H 1 8.112 . . . . . . . . 250 THR H . 28064 1 299 . 1 . 1 80 80 THR CA C 13 61.980 . . . . . . . . 250 THR CA . 28064 1 300 . 1 . 1 80 80 THR CB C 13 69.420 . . . . . . . . 250 THR CB . 28064 1 301 . 1 . 1 80 80 THR N N 15 113.900 . . . . . . . . 250 THR N . 28064 1 302 . 1 . 1 81 81 ASP H H 1 8.385 . . . . . . . . 251 ASP H . 28064 1 303 . 1 . 1 81 81 ASP CA C 13 54.340 . . . . . . . . 251 ASP CA . 28064 1 304 . 1 . 1 81 81 ASP CB C 13 40.920 . . . . . . . . 251 ASP CB . 28064 1 305 . 1 . 1 81 81 ASP N N 15 122.600 . . . . . . . . 251 ASP N . 28064 1 306 . 1 . 1 82 82 SER H H 1 8.155 . . . . . . . . 252 SER H . 28064 1 307 . 1 . 1 82 82 SER CA C 13 58.360 . . . . . . . . 252 SER CA . 28064 1 308 . 1 . 1 82 82 SER CB C 13 63.540 . . . . . . . . 252 SER CB . 28064 1 309 . 1 . 1 82 82 SER N N 15 115.800 . . . . . . . . 252 SER N . 28064 1 310 . 1 . 1 83 83 ILE H H 1 8.047 . . . . . . . . 253 ILE H . 28064 1 311 . 1 . 1 83 83 ILE CA C 13 60.980 . . . . . . . . 253 ILE CA . 28064 1 312 . 1 . 1 83 83 ILE CB C 13 38.360 . . . . . . . . 253 ILE CB . 28064 1 313 . 1 . 1 83 83 ILE N N 15 122.500 . . . . . . . . 253 ILE N . 28064 1 314 . 1 . 1 84 84 LEU H H 1 8.225 . . . . . . . . 254 LEU H . 28064 1 315 . 1 . 1 84 84 LEU CA C 13 54.830 . . . . . . . . 254 LEU CA . 28064 1 316 . 1 . 1 84 84 LEU CB C 13 42.120 . . . . . . . . 254 LEU CB . 28064 1 317 . 1 . 1 84 84 LEU N N 15 126.200 . . . . . . . . 254 LEU N . 28064 1 318 . 1 . 1 85 85 GLU H H 1 8.322 . . . . . . . . 255 GLU H . 28064 1 319 . 1 . 1 85 85 GLU CB C 13 30.180 . . . . . . . . 255 GLU CB . 28064 1 320 . 1 . 1 85 85 GLU N N 15 122.000 . . . . . . . . 255 GLU N . 28064 1 321 . 1 . 1 86 86 ASP H H 1 8.336 . . . . . . . . 256 ASP H . 28064 1 322 . 1 . 1 86 86 ASP N N 15 121.500 . . . . . . . . 256 ASP N . 28064 1 323 . 1 . 1 88 88 SER H H 1 8.020 . . . . . . . . 258 SER H . 28064 1 324 . 1 . 1 88 88 SER CA C 13 60.120 . . . . . . . . 258 SER CA . 28064 1 325 . 1 . 1 88 88 SER CB C 13 64.370 . . . . . . . . 258 SER CB . 28064 1 326 . 1 . 1 88 88 SER N N 15 123.100 . . . . . . . . 258 SER N . 28064 1 stop_ save_