data_27649 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27649 _Entry.Title ; hnRNPA2 low complexity domain 266-341 backbone and Cbeta chemical shifts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-10-12 _Entry.Accession_date 2018-10-12 _Entry.Last_release_date 2018-10-12 _Entry.Original_release_date 2018-10-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . _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 Veronica Ryan . . . . 27649 2 Nicolas Fawzi . . . . 27649 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27649 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 196 27649 '15N chemical shifts' 72 27649 '1H chemical shifts' 72 27649 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 . . 2019-01-18 2018-10-12 update BMRB 'update entry citation' 27649 1 . . 2018-11-05 2018-10-12 original author 'original release' 27649 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27649 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.RA118.005120 _Citation.PubMed_ID 30397184 _Citation.Full_citation . _Citation.Title ; The SH3 domain of Fyn kinase interacts with and induces liquid-liquid phase separation of the low-complexity domain of hnRNPA2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 293 _Citation.Journal_issue 51 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 19522 _Citation.Page_last 19531 _Citation.Year 2018 _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 Joshua Amaya . . . . 27649 1 2 Veronica Ryan . . . . 27649 1 3 Nicolas Fawzi . . . . 27649 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27649 _Assembly.ID 1 _Assembly.Name hnRNPA2_266-341 _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 hnRNPA2_266-341 1 $hnRNPA2_266-341 A . yes native no no . . . 27649 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hnRNPA2_266-341 _Entity.Sf_category entity _Entity.Sf_framecode hnRNPA2_266-341 _Entity.Entry_ID 27649 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hnRNPA2_266-341 _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 ; GHMNQGGGYGGGYDNYGGGN YGSGNYNDFGNYNQQPSNYG PMKSGNFGGSRNMGGPYGGG NYGPGGSGGSGGYGGRSRY ; _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1 263 GLY . 27649 1 2 264 HIS . 27649 1 3 265 MET . 27649 1 4 266 ASN . 27649 1 5 267 GLN . 27649 1 6 268 GLY . 27649 1 7 269 GLY . 27649 1 8 270 GLY . 27649 1 9 271 TYR . 27649 1 10 272 GLY . 27649 1 11 273 GLY . 27649 1 12 274 GLY . 27649 1 13 275 TYR . 27649 1 14 276 ASP . 27649 1 15 277 ASN . 27649 1 16 278 TYR . 27649 1 17 279 GLY . 27649 1 18 280 GLY . 27649 1 19 281 GLY . 27649 1 20 282 ASN . 27649 1 21 283 TYR . 27649 1 22 284 GLY . 27649 1 23 285 SER . 27649 1 24 286 GLY . 27649 1 25 287 ASN . 27649 1 26 288 TYR . 27649 1 27 289 ASN . 27649 1 28 290 ASP . 27649 1 29 291 PHE . 27649 1 30 292 GLY . 27649 1 31 293 ASN . 27649 1 32 294 TYR . 27649 1 33 295 ASN . 27649 1 34 296 GLN . 27649 1 35 297 GLN . 27649 1 36 298 PRO . 27649 1 37 299 SER . 27649 1 38 300 ASN . 27649 1 39 301 TYR . 27649 1 40 302 GLY . 27649 1 41 303 PRO . 27649 1 42 304 MET . 27649 1 43 305 LYS . 27649 1 44 306 SER . 27649 1 45 307 GLY . 27649 1 46 308 ASN . 27649 1 47 309 PHE . 27649 1 48 310 GLY . 27649 1 49 311 GLY . 27649 1 50 312 SER . 27649 1 51 313 ARG . 27649 1 52 314 ASN . 27649 1 53 315 MET . 27649 1 54 316 GLY . 27649 1 55 317 GLY . 27649 1 56 318 PRO . 27649 1 57 319 TYR . 27649 1 58 320 GLY . 27649 1 59 321 GLY . 27649 1 60 322 GLY . 27649 1 61 323 ASN . 27649 1 62 324 TYR . 27649 1 63 325 GLY . 27649 1 64 326 PRO . 27649 1 65 327 GLY . 27649 1 66 328 GLY . 27649 1 67 329 SER . 27649 1 68 330 GLY . 27649 1 69 331 GLY . 27649 1 70 332 SER . 27649 1 71 333 GLY . 27649 1 72 334 GLY . 27649 1 73 335 TYR . 27649 1 74 336 GLY . 27649 1 75 337 GLY . 27649 1 76 338 ARG . 27649 1 77 339 SER . 27649 1 78 340 ARG . 27649 1 79 341 TYR . 27649 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27649 1 . HIS 2 2 27649 1 . MET 3 3 27649 1 . ASN 4 4 27649 1 . GLN 5 5 27649 1 . GLY 6 6 27649 1 . GLY 7 7 27649 1 . GLY 8 8 27649 1 . TYR 9 9 27649 1 . GLY 10 10 27649 1 . GLY 11 11 27649 1 . GLY 12 12 27649 1 . TYR 13 13 27649 1 . ASP 14 14 27649 1 . ASN 15 15 27649 1 . TYR 16 16 27649 1 . GLY 17 17 27649 1 . GLY 18 18 27649 1 . GLY 19 19 27649 1 . ASN 20 20 27649 1 . TYR 21 21 27649 1 . GLY 22 22 27649 1 . SER 23 23 27649 1 . GLY 24 24 27649 1 . ASN 25 25 27649 1 . TYR 26 26 27649 1 . ASN 27 27 27649 1 . ASP 28 28 27649 1 . PHE 29 29 27649 1 . GLY 30 30 27649 1 . ASN 31 31 27649 1 . TYR 32 32 27649 1 . ASN 33 33 27649 1 . GLN 34 34 27649 1 . GLN 35 35 27649 1 . PRO 36 36 27649 1 . SER 37 37 27649 1 . ASN 38 38 27649 1 . TYR 39 39 27649 1 . GLY 40 40 27649 1 . PRO 41 41 27649 1 . MET 42 42 27649 1 . LYS 43 43 27649 1 . SER 44 44 27649 1 . GLY 45 45 27649 1 . ASN 46 46 27649 1 . PHE 47 47 27649 1 . GLY 48 48 27649 1 . GLY 49 49 27649 1 . SER 50 50 27649 1 . ARG 51 51 27649 1 . ASN 52 52 27649 1 . MET 53 53 27649 1 . GLY 54 54 27649 1 . GLY 55 55 27649 1 . PRO 56 56 27649 1 . TYR 57 57 27649 1 . GLY 58 58 27649 1 . GLY 59 59 27649 1 . GLY 60 60 27649 1 . ASN 61 61 27649 1 . TYR 62 62 27649 1 . GLY 63 63 27649 1 . PRO 64 64 27649 1 . GLY 65 65 27649 1 . GLY 66 66 27649 1 . SER 67 67 27649 1 . GLY 68 68 27649 1 . GLY 69 69 27649 1 . SER 70 70 27649 1 . GLY 71 71 27649 1 . GLY 72 72 27649 1 . TYR 73 73 27649 1 . GLY 74 74 27649 1 . GLY 75 75 27649 1 . ARG 76 76 27649 1 . SER 77 77 27649 1 . ARG 78 78 27649 1 . TYR 79 79 27649 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 27649 _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 $hnRNPA2_266-341 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27649 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 27649 _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 $hnRNPA2_266-341 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . hnRNPA2_266-341_pJ411 . . . 27649 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27649 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM MES pH 5.5 with Bis Tris' _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 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27649 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 27649 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 27649 1 4 Bis-Tris 'natural abundance' . . . . . . 1 . . mM . . . . 27649 1 5 'hnRNPA2 266-341' '[U-99% 13C; U-99% 15N]' . . 1 $hnRNPA2_266-341 . . 125 . . uM . . . . 27649 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 27649 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 27649 1 pH 5.5 . pH 27649 1 pressure 1 . atm 27649 1 temperature 298 . K 27649 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27649 _Software.ID 1 _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' . . 27649 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27649 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27649 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27649 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27649 2 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 27649 _NMR_spectrometer.ID 1 _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 27649 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 27649 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 27649 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27649 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27649 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27649 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27649 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27649 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 27649 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '1H shifts externally referenced, 15N and 13C shifts indirectly referenced' 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 na protons . . . . ppm 0 na indirect 1 . . . . . 27649 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27649 1 N 15 na protons . . . . ppm 0 na indirect 1 . . . . . 27649 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 27649 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27649 1 2 '3D HNCO' . . . 27649 1 3 '3D HNCACO' . . . 27649 1 4 '3D CBCA(CO)NH' . . . 27649 1 5 '3D HNCACB' . . . 27649 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 ASN H H 1 8.591 0.002 . . . . . . . 266 N H . 27649 1 2 . 1 1 4 4 ASN C C 13 175.012 0.005 . . . . . . . 266 N C . 27649 1 3 . 1 1 4 4 ASN CA C 13 53.440 0.126 . . . . . . . 266 N CA . 27649 1 4 . 1 1 4 4 ASN CB C 13 38.764 0.121 . . . . . . . 266 N CB . 27649 1 5 . 1 1 4 4 ASN N N 15 120.387 0.003 . . . . . . . 266 N N . 27649 1 6 . 1 1 5 5 GLN H H 1 8.416 0.003 . . . . . . . 267 Q H . 27649 1 7 . 1 1 5 5 GLN C C 13 176.252 0.004 . . . . . . . 267 Q C . 27649 1 8 . 1 1 5 5 GLN CA C 13 56.252 0.138 . . . . . . . 267 Q CA . 27649 1 9 . 1 1 5 5 GLN CB C 13 29.477 0.136 . . . . . . . 267 Q CB . 27649 1 10 . 1 1 5 5 GLN N N 15 120.917 0.010 . . . . . . . 267 Q N . 27649 1 11 . 1 1 6 6 GLY H H 1 8.445 0.004 . . . . . . . 268 G H . 27649 1 12 . 1 1 6 6 GLY C C 13 174.482 0.000 . . . . . . . 268 G C . 27649 1 13 . 1 1 6 6 GLY CA C 13 45.434 0.140 . . . . . . . 268 G CA . 27649 1 14 . 1 1 6 6 GLY N N 15 110.017 0.006 . . . . . . . 268 G N . 27649 1 15 . 1 1 7 7 GLY H H 1 8.240 0.003 . . . . . . . 269 G H . 27649 1 16 . 1 1 7 7 GLY C C 13 174.444 0.013 . . . . . . . 269 G C . 27649 1 17 . 1 1 7 7 GLY CA C 13 45.383 0.113 . . . . . . . 269 G CA . 27649 1 18 . 1 1 7 7 GLY N N 15 108.537 0.003 . . . . . . . 269 G N . 27649 1 19 . 1 1 8 8 GLY H H 1 8.159 0.004 . . . . . . . 270 G H . 27649 1 20 . 1 1 8 8 GLY C C 13 173.681 0.106 . . . . . . . 270 G C . 27649 1 21 . 1 1 8 8 GLY CA C 13 45.167 0.101 . . . . . . . 270 G CA . 27649 1 22 . 1 1 8 8 GLY N N 15 108.207 0.005 . . . . . . . 270 G N . 27649 1 23 . 1 1 9 9 TYR H H 1 8.129 0.002 . . . . . . . 271 Y H . 27649 1 24 . 1 1 9 9 TYR C C 13 176.465 0.005 . . . . . . . 271 Y C . 27649 1 25 . 1 1 9 9 TYR CA C 13 58.237 0.096 . . . . . . . 271 Y CA . 27649 1 26 . 1 1 9 9 TYR CB C 13 38.874 0.127 . . . . . . . 271 Y CB . 27649 1 27 . 1 1 9 9 TYR N N 15 120.089 0.006 . . . . . . . 271 Y N . 27649 1 28 . 1 1 10 10 GLY H H 1 8.410 0.004 . . . . . . . 272 G H . 27649 1 29 . 1 1 10 10 GLY C C 13 174.432 0.000 . . . . . . . 272 G C . 27649 1 30 . 1 1 10 10 GLY CA C 13 45.477 0.146 . . . . . . . 272 G CA . 27649 1 31 . 1 1 10 10 GLY N N 15 111.295 0.009 . . . . . . . 272 G N . 27649 1 32 . 1 1 11 11 GLY H H 1 7.897 0.003 . . . . . . . 273 G H . 27649 1 33 . 1 1 11 11 GLY C C 13 174.323 0.007 . . . . . . . 273 G C . 27649 1 34 . 1 1 11 11 GLY CA C 13 45.436 0.136 . . . . . . . 273 G CA . 27649 1 35 . 1 1 11 11 GLY N N 15 108.191 0.004 . . . . . . . 273 G N . 27649 1 36 . 1 1 12 12 GLY H H 1 8.181 0.002 . . . . . . . 274 G H . 27649 1 37 . 1 1 12 12 GLY C C 13 173.805 0.004 . . . . . . . 274 G C . 27649 1 38 . 1 1 12 12 GLY CA C 13 45.207 0.116 . . . . . . . 274 G CA . 27649 1 39 . 1 1 12 12 GLY N N 15 108.379 0.012 . . . . . . . 274 G N . 27649 1 40 . 1 1 13 13 TYR H H 1 8.023 0.003 . . . . . . . 275 Y H . 27649 1 41 . 1 1 13 13 TYR C C 13 175.426 0.000 . . . . . . . 275 Y C . 27649 1 42 . 1 1 13 13 TYR CA C 13 58.091 0.089 . . . . . . . 275 Y CA . 27649 1 43 . 1 1 13 13 TYR CB C 13 38.873 0.139 . . . . . . . 275 Y CB . 27649 1 44 . 1 1 13 13 TYR N N 15 119.632 0.007 . . . . . . . 275 Y N . 27649 1 45 . 1 1 14 14 ASP H H 1 8.241 0.003 . . . . . . . 276 D H . 27649 1 46 . 1 1 14 14 ASP C C 13 175.542 0.005 . . . . . . . 276 D C . 27649 1 47 . 1 1 14 14 ASP CA C 13 54.287 0.096 . . . . . . . 276 D CA . 27649 1 48 . 1 1 14 14 ASP CB C 13 41.213 0.116 . . . . . . . 276 D CB . 27649 1 49 . 1 1 14 14 ASP N N 15 121.197 0.013 . . . . . . . 276 D N . 27649 1 50 . 1 1 15 15 ASN H H 1 8.151 0.004 . . . . . . . 277 N H . 27649 1 51 . 1 1 15 15 ASN C C 13 174.978 0.004 . . . . . . . 277 N C . 27649 1 52 . 1 1 15 15 ASN CA C 13 53.319 0.158 . . . . . . . 277 N CA . 27649 1 53 . 1 1 15 15 ASN CB C 13 38.879 0.053 . . . . . . . 277 N CB . 27649 1 54 . 1 1 15 15 ASN N N 15 118.523 0.011 . . . . . . . 277 N N . 27649 1 55 . 1 1 16 16 TYR H H 1 8.215 0.003 . . . . . . . 278 Y H . 27649 1 56 . 1 1 16 16 TYR C C 13 176.462 0.003 . . . . . . . 278 Y C . 27649 1 57 . 1 1 16 16 TYR CA C 13 58.459 0.107 . . . . . . . 278 Y CA . 27649 1 58 . 1 1 16 16 TYR CB C 13 38.458 0.100 . . . . . . . 278 Y CB . 27649 1 59 . 1 1 16 16 TYR N N 15 120.458 0.008 . . . . . . . 278 Y N . 27649 1 60 . 1 1 17 17 GLY H H 1 8.265 0.004 . . . . . . . 279 G H . 27649 1 61 . 1 1 17 17 GLY C C 13 174.615 0.000 . . . . . . . 279 G C . 27649 1 62 . 1 1 17 17 GLY CA C 13 45.546 0.028 . . . . . . . 279 G CA . 27649 1 63 . 1 1 17 17 GLY N N 15 110.536 0.007 . . . . . . . 279 G N . 27649 1 64 . 1 1 18 18 GLY H H 1 7.961 0.003 . . . . . . . 280 G H . 27649 1 65 . 1 1 18 18 GLY C C 13 174.403 0.007 . . . . . . . 280 G C . 27649 1 66 . 1 1 18 18 GLY CA C 13 45.451 0.165 . . . . . . . 280 G CA . 27649 1 67 . 1 1 18 18 GLY N N 15 108.361 0.000 . . . . . . . 280 G N . 27649 1 68 . 1 1 19 19 GLY H H 1 8.196 0.013 . . . . . . . 281 G H . 27649 1 69 . 1 1 19 19 GLY C C 13 173.782 0.000 . . . . . . . 281 G C . 27649 1 70 . 1 1 19 19 GLY CA C 13 45.279 0.170 . . . . . . . 281 G CA . 27649 1 71 . 1 1 19 19 GLY N N 15 108.490 0.020 . . . . . . . 281 G N . 27649 1 72 . 1 1 20 20 ASN H H 1 8.211 0.009 . . . . . . . 282 N H . 27649 1 73 . 1 1 20 20 ASN C C 13 174.840 0.007 . . . . . . . 282 N C . 27649 1 74 . 1 1 20 20 ASN CA C 13 53.111 0.112 . . . . . . . 282 N CA . 27649 1 75 . 1 1 20 20 ASN CB C 13 38.896 0.121 . . . . . . . 282 N CB . 27649 1 76 . 1 1 20 20 ASN N N 15 118.427 0.002 . . . . . . . 282 N N . 27649 1 77 . 1 1 21 21 TYR H H 1 8.182 0.003 . . . . . . . 283 Y H . 27649 1 78 . 1 1 21 21 TYR C C 13 176.276 0.003 . . . . . . . 283 Y C . 27649 1 79 . 1 1 21 21 TYR CA C 13 58.311 0.099 . . . . . . . 283 Y CA . 27649 1 80 . 1 1 21 21 TYR CB C 13 38.574 0.125 . . . . . . . 283 Y CB . 27649 1 81 . 1 1 21 21 TYR N N 15 120.732 0.008 . . . . . . . 283 Y N . 27649 1 82 . 1 1 22 22 GLY H H 1 8.223 0.004 . . . . . . . 284 G H . 27649 1 83 . 1 1 22 22 GLY C C 13 174.074 0.003 . . . . . . . 284 G C . 27649 1 84 . 1 1 22 22 GLY CA C 13 45.465 0.128 . . . . . . . 284 G CA . 27649 1 85 . 1 1 22 22 GLY N N 15 110.307 0.008 . . . . . . . 284 G N . 27649 1 86 . 1 1 23 23 SER H H 1 8.175 0.003 . . . . . . . 285 S H . 27649 1 87 . 1 1 23 23 SER C C 13 174.908 0.002 . . . . . . . 285 S C . 27649 1 88 . 1 1 23 23 SER CA C 13 58.571 0.135 . . . . . . . 285 S CA . 27649 1 89 . 1 1 23 23 SER CB C 13 64.068 0.133 . . . . . . . 285 S CB . 27649 1 90 . 1 1 23 23 SER N N 15 115.515 0.006 . . . . . . . 285 S N . 27649 1 91 . 1 1 24 24 GLY H H 1 8.373 0.004 . . . . . . . 286 G H . 27649 1 92 . 1 1 24 24 GLY C C 13 173.431 0.003 . . . . . . . 286 G C . 27649 1 93 . 1 1 24 24 GLY CA C 13 45.419 0.124 . . . . . . . 286 G CA . 27649 1 94 . 1 1 24 24 GLY N N 15 110.376 0.009 . . . . . . . 286 G N . 27649 1 95 . 1 1 25 25 ASN H H 1 8.165 0.003 . . . . . . . 287 N H . 27649 1 96 . 1 1 25 25 ASN C C 13 174.780 0.007 . . . . . . . 287 N C . 27649 1 97 . 1 1 25 25 ASN CA C 13 53.082 0.093 . . . . . . . 287 N CA . 27649 1 98 . 1 1 25 25 ASN CB C 13 39.193 0.000 . . . . . . . 287 N CB . 27649 1 99 . 1 1 25 25 ASN N N 15 118.435 0.005 . . . . . . . 287 N N . 27649 1 100 . 1 1 26 26 TYR H H 1 8.129 0.003 . . . . . . . 288 Y H . 27649 1 101 . 1 1 26 26 TYR C C 13 175.379 0.012 . . . . . . . 288 Y C . 27649 1 102 . 1 1 26 26 TYR CA C 13 58.341 0.094 . . . . . . . 288 Y CA . 27649 1 103 . 1 1 26 26 TYR CB C 13 38.623 0.128 . . . . . . . 288 Y CB . 27649 1 104 . 1 1 26 26 TYR N N 15 120.766 0.012 . . . . . . . 288 Y N . 27649 1 105 . 1 1 27 27 ASN H H 1 8.175 0.003 . . . . . . . 289 N H . 27649 1 106 . 1 1 27 27 ASN C C 13 174.386 0.003 . . . . . . . 289 N C . 27649 1 107 . 1 1 27 27 ASN CA C 13 53.257 0.117 . . . . . . . 289 N CA . 27649 1 108 . 1 1 27 27 ASN CB C 13 39.163 0.122 . . . . . . . 289 N CB . 27649 1 109 . 1 1 27 27 ASN N N 15 119.714 0.006 . . . . . . . 289 N N . 27649 1 110 . 1 1 28 28 ASP H H 1 8.027 0.003 . . . . . . . 290 D H . 27649 1 111 . 1 1 28 28 ASP C C 13 175.970 0.011 . . . . . . . 290 D C . 27649 1 112 . 1 1 28 28 ASP CA C 13 54.399 0.082 . . . . . . . 290 D CA . 27649 1 113 . 1 1 28 28 ASP CB C 13 41.093 0.111 . . . . . . . 290 D CB . 27649 1 114 . 1 1 28 28 ASP N N 15 120.302 0.010 . . . . . . . 290 D N . 27649 1 115 . 1 1 29 29 PHE H H 1 8.094 0.003 . . . . . . . 291 F H . 27649 1 116 . 1 1 29 29 PHE C C 13 176.356 0.006 . . . . . . . 291 F C . 27649 1 117 . 1 1 29 29 PHE CA C 13 58.267 0.093 . . . . . . . 291 F CA . 27649 1 118 . 1 1 29 29 PHE CB C 13 39.115 0.124 . . . . . . . 291 F CB . 27649 1 119 . 1 1 29 29 PHE N N 15 120.096 0.010 . . . . . . . 291 F N . 27649 1 120 . 1 1 30 30 GLY H H 1 8.239 0.003 . . . . . . . 292 G H . 27649 1 121 . 1 1 30 30 GLY C C 13 173.678 0.001 . . . . . . . 292 G C . 27649 1 122 . 1 1 30 30 GLY CA C 13 45.637 0.130 . . . . . . . 292 G CA . 27649 1 123 . 1 1 30 30 GLY N N 15 109.180 0.009 . . . . . . . 292 G N . 27649 1 124 . 1 1 31 31 ASN H H 1 8.060 0.003 . . . . . . . 293 N H . 27649 1 125 . 1 1 31 31 ASN C C 13 175.017 0.008 . . . . . . . 293 N C . 27649 1 126 . 1 1 31 31 ASN CA C 13 53.159 0.107 . . . . . . . 293 N CA . 27649 1 127 . 1 1 31 31 ASN CB C 13 38.862 0.133 . . . . . . . 293 N CB . 27649 1 128 . 1 1 31 31 ASN N N 15 118.287 0.005 . . . . . . . 293 N N . 27649 1 129 . 1 1 32 32 TYR H H 1 8.106 0.003 . . . . . . . 294 Y H . 27649 1 130 . 1 1 32 32 TYR C C 13 175.567 0.008 . . . . . . . 294 Y C . 27649 1 131 . 1 1 32 32 TYR CA C 13 58.331 0.093 . . . . . . . 294 Y CA . 27649 1 132 . 1 1 32 32 TYR CB C 13 38.547 0.100 . . . . . . . 294 Y CB . 27649 1 133 . 1 1 32 32 TYR N N 15 120.495 0.012 . . . . . . . 294 Y N . 27649 1 134 . 1 1 33 33 ASN H H 1 8.278 0.003 . . . . . . . 295 N H . 27649 1 135 . 1 1 33 33 ASN C C 13 174.712 0.003 . . . . . . . 295 N C . 27649 1 136 . 1 1 33 33 ASN CA C 13 53.428 0.145 . . . . . . . 295 N CA . 27649 1 137 . 1 1 33 33 ASN CB C 13 38.748 0.151 . . . . . . . 295 N CB . 27649 1 138 . 1 1 33 33 ASN N N 15 119.671 0.005 . . . . . . . 295 N N . 27649 1 139 . 1 1 34 34 GLN H H 1 8.085 0.003 . . . . . . . 296 Q H . 27649 1 140 . 1 1 34 34 GLN C C 13 175.420 0.009 . . . . . . . 296 Q C . 27649 1 141 . 1 1 34 34 GLN CA C 13 55.892 0.118 . . . . . . . 296 Q CA . 27649 1 142 . 1 1 34 34 GLN CB C 13 29.446 0.148 . . . . . . . 296 Q CB . 27649 1 143 . 1 1 34 34 GLN N N 15 119.652 0.014 . . . . . . . 296 Q N . 27649 1 144 . 1 1 35 35 GLN H H 1 8.277 0.003 . . . . . . . 297 Q H . 27649 1 145 . 1 1 35 35 GLN C C 13 173.875 0.000 . . . . . . . 297 Q C . 27649 1 146 . 1 1 35 35 GLN CA C 13 53.776 0.000 . . . . . . . 297 Q CA . 27649 1 147 . 1 1 35 35 GLN CB C 13 28.786 0.000 . . . . . . . 297 Q CB . 27649 1 148 . 1 1 35 35 GLN N N 15 121.990 0.008 . . . . . . . 297 Q N . 27649 1 149 . 1 1 36 36 PRO C C 13 176.840 0.000 . . . . . . . 298 P C . 27649 1 150 . 1 1 36 36 PRO CA C 13 63.606 0.000 . . . . . . . 298 P CA . 27649 1 151 . 1 1 36 36 PRO CB C 13 32.195 0.123 . . . . . . . 298 P CB . 27649 1 152 . 1 1 37 37 SER H H 1 8.347 0.003 . . . . . . . 299 S H . 27649 1 153 . 1 1 37 37 SER C C 13 174.194 0.000 . . . . . . . 299 S C . 27649 1 154 . 1 1 37 37 SER CA C 13 58.594 0.122 . . . . . . . 299 S CA . 27649 1 155 . 1 1 37 37 SER CB C 13 63.867 0.121 . . . . . . . 299 S CB . 27649 1 156 . 1 1 37 37 SER N N 15 115.441 0.005 . . . . . . . 299 S N . 27649 1 157 . 1 1 38 38 ASN H H 1 8.299 0.003 . . . . . . . 300 N H . 27649 1 158 . 1 1 38 38 ASN C C 13 174.481 0.009 . . . . . . . 300 N C . 27649 1 159 . 1 1 38 38 ASN CA C 13 53.292 0.123 . . . . . . . 300 N CA . 27649 1 160 . 1 1 38 38 ASN CB C 13 38.846 0.120 . . . . . . . 300 N CB . 27649 1 161 . 1 1 38 38 ASN N N 15 119.956 0.006 . . . . . . . 300 N N . 27649 1 162 . 1 1 39 39 TYR H H 1 8.040 0.004 . . . . . . . 301 Y H . 27649 1 163 . 1 1 39 39 TYR C C 13 175.716 0.013 . . . . . . . 301 Y C . 27649 1 164 . 1 1 39 39 TYR CA C 13 57.956 0.105 . . . . . . . 301 Y CA . 27649 1 165 . 1 1 39 39 TYR CB C 13 39.009 0.150 . . . . . . . 301 Y CB . 27649 1 166 . 1 1 39 39 TYR N N 15 120.047 0.012 . . . . . . . 301 Y N . 27649 1 167 . 1 1 40 40 GLY H H 1 8.069 0.003 . . . . . . . 302 G H . 27649 1 168 . 1 1 40 40 GLY C C 13 177.668 0.000 . . . . . . . 302 G C . 27649 1 169 . 1 1 40 40 GLY CA C 13 44.786 0.000 . . . . . . . 302 G CA . 27649 1 170 . 1 1 40 40 GLY N N 15 110.194 0.005 . . . . . . . 302 G N . 27649 1 171 . 1 1 41 41 PRO CA C 13 63.496 0.096 . . . . . . . 303 P CA . 27649 1 172 . 1 1 41 41 PRO CB C 13 32.327 0.000 . . . . . . . 303 P CB . 27649 1 173 . 1 1 42 42 MET H H 1 8.370 0.004 . . . . . . . 304 M H . 27649 1 174 . 1 1 42 42 MET CA C 13 55.819 0.088 . . . . . . . 304 M CA . 27649 1 175 . 1 1 42 42 MET CB C 13 32.852 0.114 . . . . . . . 304 M CB . 27649 1 176 . 1 1 42 42 MET N N 15 119.804 0.010 . . . . . . . 304 M N . 27649 1 177 . 1 1 43 43 LYS H H 1 8.258 0.004 . . . . . . . 305 K H . 27649 1 178 . 1 1 43 43 LYS C C 13 176.295 0.008 . . . . . . . 305 K C . 27649 1 179 . 1 1 43 43 LYS CA C 13 56.475 0.133 . . . . . . . 305 K CA . 27649 1 180 . 1 1 43 43 LYS CB C 13 33.047 0.142 . . . . . . . 305 K CB . 27649 1 181 . 1 1 43 43 LYS N N 15 122.425 0.009 . . . . . . . 305 K N . 27649 1 182 . 1 1 44 44 SER H H 1 8.238 0.003 . . . . . . . 306 S H . 27649 1 183 . 1 1 44 44 SER C C 13 174.688 0.002 . . . . . . . 306 S C . 27649 1 184 . 1 1 44 44 SER CA C 13 58.433 0.111 . . . . . . . 306 S CA . 27649 1 185 . 1 1 44 44 SER CB C 13 64.096 0.117 . . . . . . . 306 S CB . 27649 1 186 . 1 1 44 44 SER N N 15 116.324 0.007 . . . . . . . 306 S N . 27649 1 187 . 1 1 45 45 GLY H H 1 8.311 0.003 . . . . . . . 307 G H . 27649 1 188 . 1 1 45 45 GLY C C 13 173.493 0.068 . . . . . . . 307 G C . 27649 1 189 . 1 1 45 45 GLY CA C 13 45.250 0.040 . . . . . . . 307 G CA . 27649 1 190 . 1 1 45 45 GLY N N 15 110.271 0.006 . . . . . . . 307 G N . 27649 1 191 . 1 1 46 46 ASN H H 1 8.201 0.006 . . . . . . . 308 N H . 27649 1 192 . 1 1 46 46 ASN C C 13 174.865 0.009 . . . . . . . 308 N C . 27649 1 193 . 1 1 46 46 ASN CA C 13 53.107 0.070 . . . . . . . 308 N CA . 27649 1 194 . 1 1 46 46 ASN CB C 13 38.882 0.099 . . . . . . . 308 N CB . 27649 1 195 . 1 1 46 46 ASN N N 15 118.457 0.017 . . . . . . . 308 N N . 27649 1 196 . 1 1 47 47 PHE H H 1 8.250 0.003 . . . . . . . 309 F H . 27649 1 197 . 1 1 47 47 PHE C C 13 177.201 0.005 . . . . . . . 309 F C . 27649 1 198 . 1 1 47 47 PHE CA C 13 58.026 0.091 . . . . . . . 309 F CA . 27649 1 199 . 1 1 47 47 PHE CB C 13 39.448 0.121 . . . . . . . 309 F CB . 27649 1 200 . 1 1 47 47 PHE N N 15 120.842 0.014 . . . . . . . 309 F N . 27649 1 201 . 1 1 48 48 GLY H H 1 8.359 0.004 . . . . . . . 310 G H . 27649 1 202 . 1 1 48 48 GLY C C 13 174.482 0.007 . . . . . . . 310 G C . 27649 1 203 . 1 1 48 48 GLY CA C 13 45.606 0.153 . . . . . . . 310 G CA . 27649 1 204 . 1 1 48 48 GLY N N 15 110.569 0.011 . . . . . . . 310 G N . 27649 1 205 . 1 1 49 49 GLY H H 1 7.960 0.004 . . . . . . . 311 G H . 27649 1 206 . 1 1 49 49 GLY C C 13 174.116 0.001 . . . . . . . 311 G C . 27649 1 207 . 1 1 49 49 GLY CA C 13 45.358 0.114 . . . . . . . 311 G CA . 27649 1 208 . 1 1 49 49 GLY N N 15 108.402 0.029 . . . . . . . 311 G N . 27649 1 209 . 1 1 50 50 SER H H 1 8.214 0.003 . . . . . . . 312 S H . 27649 1 210 . 1 1 50 50 SER C C 13 174.584 0.022 . . . . . . . 312 S C . 27649 1 211 . 1 1 50 50 SER CA C 13 60.374 2.518 . . . . . . . 312 S CA . 27649 1 212 . 1 1 50 50 SER CB C 13 64.039 0.130 . . . . . . . 312 S CB . 27649 1 213 . 1 1 50 50 SER N N 15 115.552 0.004 . . . . . . . 312 S N . 27649 1 214 . 1 1 51 51 ARG H H 1 8.361 0.004 . . . . . . . 313 R H . 27649 1 215 . 1 1 51 51 ARG C C 13 175.745 0.004 . . . . . . . 313 R C . 27649 1 216 . 1 1 51 51 ARG CA C 13 56.335 0.123 . . . . . . . 313 R CA . 27649 1 217 . 1 1 51 51 ARG CB C 13 30.724 0.125 . . . . . . . 313 R CB . 27649 1 218 . 1 1 51 51 ARG N N 15 122.341 0.014 . . . . . . . 313 R N . 27649 1 219 . 1 1 52 52 ASN H H 1 8.379 0.003 . . . . . . . 314 N H . 27649 1 220 . 1 1 52 52 ASN C C 13 175.072 0.005 . . . . . . . 314 N C . 27649 1 221 . 1 1 52 52 ASN CA C 13 53.469 0.145 . . . . . . . 314 N CA . 27649 1 222 . 1 1 52 52 ASN CB C 13 38.732 0.127 . . . . . . . 314 N CB . 27649 1 223 . 1 1 52 52 ASN N N 15 119.340 0.004 . . . . . . . 314 N N . 27649 1 224 . 1 1 53 53 MET H H 1 8.350 0.003 . . . . . . . 315 M H . 27649 1 225 . 1 1 53 53 MET C C 13 176.436 0.002 . . . . . . . 315 M C . 27649 1 226 . 1 1 53 53 MET CA C 13 55.610 0.096 . . . . . . . 315 M CA . 27649 1 227 . 1 1 53 53 MET CB C 13 32.744 0.104 . . . . . . . 315 M CB . 27649 1 228 . 1 1 53 53 MET N N 15 121.005 0.010 . . . . . . . 315 M N . 27649 1 229 . 1 1 54 54 GLY H H 1 8.346 0.003 . . . . . . . 316 G H . 27649 1 230 . 1 1 54 54 GLY C C 13 174.055 0.003 . . . . . . . 316 G C . 27649 1 231 . 1 1 54 54 GLY CA C 13 45.224 0.115 . . . . . . . 316 G CA . 27649 1 232 . 1 1 54 54 GLY N N 15 109.328 0.006 . . . . . . . 316 G N . 27649 1 233 . 1 1 55 55 GLY H H 1 8.057 0.003 . . . . . . . 317 G H . 27649 1 234 . 1 1 55 55 GLY C C 13 178.116 0.000 . . . . . . . 317 G C . 27649 1 235 . 1 1 55 55 GLY CA C 13 44.610 0.000 . . . . . . . 317 G CA . 27649 1 236 . 1 1 55 55 GLY N N 15 108.543 0.003 . . . . . . . 317 G N . 27649 1 237 . 1 1 56 56 PRO C C 13 176.854 0.000 . . . . . . . 318 P C . 27649 1 238 . 1 1 56 56 PRO CA C 13 63.554 0.102 . . . . . . . 318 P CA . 27649 1 239 . 1 1 56 56 PRO CB C 13 31.904 0.115 . . . . . . . 318 P CB . 27649 1 240 . 1 1 57 57 TYR H H 1 8.250 0.003 . . . . . . . 319 Y H . 27649 1 241 . 1 1 57 57 TYR C C 13 176.429 0.004 . . . . . . . 319 Y C . 27649 1 242 . 1 1 57 57 TYR CA C 13 57.889 0.110 . . . . . . . 319 Y CA . 27649 1 243 . 1 1 57 57 TYR CB C 13 38.408 0.114 . . . . . . . 319 Y CB . 27649 1 244 . 1 1 57 57 TYR N N 15 119.777 0.006 . . . . . . . 319 Y N . 27649 1 245 . 1 1 58 58 GLY H H 1 8.113 0.004 . . . . . . . 320 G H . 27649 1 246 . 1 1 58 58 GLY C C 13 174.599 0.102 . . . . . . . 320 G C . 27649 1 247 . 1 1 58 58 GLY CA C 13 45.597 0.134 . . . . . . . 320 G CA . 27649 1 248 . 1 1 58 58 GLY N N 15 110.644 0.009 . . . . . . . 320 G N . 27649 1 249 . 1 1 59 59 GLY H H 1 7.936 0.004 . . . . . . . 321 G H . 27649 1 250 . 1 1 59 59 GLY C C 13 174.402 0.009 . . . . . . . 321 G C . 27649 1 251 . 1 1 59 59 GLY CA C 13 45.449 0.150 . . . . . . . 321 G CA . 27649 1 252 . 1 1 59 59 GLY N N 15 108.156 0.003 . . . . . . . 321 G N . 27649 1 253 . 1 1 60 60 GLY H H 1 8.165 0.008 . . . . . . . 322 G H . 27649 1 254 . 1 1 60 60 GLY C C 13 173.476 0.013 . . . . . . . 322 G C . 27649 1 255 . 1 1 60 60 GLY CA C 13 45.306 0.122 . . . . . . . 322 G CA . 27649 1 256 . 1 1 60 60 GLY N N 15 108.188 0.011 . . . . . . . 322 G N . 27649 1 257 . 1 1 61 61 ASN H H 1 8.192 0.003 . . . . . . . 323 N H . 27649 1 258 . 1 1 61 61 ASN C C 13 174.618 0.097 . . . . . . . 323 N C . 27649 1 259 . 1 1 61 61 ASN CA C 13 53.154 0.112 . . . . . . . 323 N CA . 27649 1 260 . 1 1 61 61 ASN CB C 13 38.975 0.094 . . . . . . . 323 N CB . 27649 1 261 . 1 1 61 61 ASN N N 15 118.430 0.012 . . . . . . . 323 N N . 27649 1 262 . 1 1 62 62 TYR H H 1 8.140 0.002 . . . . . . . 324 Y H . 27649 1 263 . 1 1 62 62 TYR C C 13 175.850 0.096 . . . . . . . 324 Y C . 27649 1 264 . 1 1 62 62 TYR CA C 13 57.798 0.127 . . . . . . . 324 Y CA . 27649 1 265 . 1 1 62 62 TYR CB C 13 38.984 0.156 . . . . . . . 324 Y CB . 27649 1 266 . 1 1 62 62 TYR N N 15 120.308 0.012 . . . . . . . 324 Y N . 27649 1 267 . 1 1 63 63 GLY H H 1 8.105 0.004 . . . . . . . 325 G H . 27649 1 268 . 1 1 63 63 GLY C C 13 177.784 0.000 . . . . . . . 325 G C . 27649 1 269 . 1 1 63 63 GLY CA C 13 44.609 0.000 . . . . . . . 325 G CA . 27649 1 270 . 1 1 63 63 GLY N N 15 109.856 0.009 . . . . . . . 325 G N . 27649 1 271 . 1 1 64 64 PRO C C 13 177.748 0.000 . . . . . . . 326 P C . 27649 1 272 . 1 1 64 64 PRO CA C 13 63.748 0.131 . . . . . . . 326 P CA . 27649 1 273 . 1 1 64 64 PRO CB C 13 32.055 0.146 . . . . . . . 326 P CB . 27649 1 274 . 1 1 65 65 GLY H H 1 8.544 0.004 . . . . . . . 327 G H . 27649 1 275 . 1 1 65 65 GLY C C 13 174.780 0.089 . . . . . . . 327 G C . 27649 1 276 . 1 1 65 65 GLY CA C 13 45.331 0.000 . . . . . . . 327 G CA . 27649 1 277 . 1 1 65 65 GLY N N 15 109.505 0.010 . . . . . . . 327 G N . 27649 1 278 . 1 1 66 66 GLY H H 1 8.175 0.005 . . . . . . . 328 G H . 27649 1 279 . 1 1 66 66 GLY C C 13 174.286 0.000 . . . . . . . 328 G C . 27649 1 280 . 1 1 66 66 GLY CA C 13 45.347 0.135 . . . . . . . 328 G CA . 27649 1 281 . 1 1 66 66 GLY N N 15 108.534 0.014 . . . . . . . 328 G N . 27649 1 282 . 1 1 67 67 SER H H 1 8.272 0.003 . . . . . . . 329 S H . 27649 1 283 . 1 1 67 67 SER C C 13 175.200 0.103 . . . . . . . 329 S C . 27649 1 284 . 1 1 67 67 SER CA C 13 58.610 0.133 . . . . . . . 329 S CA . 27649 1 285 . 1 1 67 67 SER CB C 13 64.023 0.166 . . . . . . . 329 S CB . 27649 1 286 . 1 1 67 67 SER N N 15 115.535 0.006 . . . . . . . 329 S N . 27649 1 287 . 1 1 68 68 GLY H H 1 8.468 0.003 . . . . . . . 330 G H . 27649 1 288 . 1 1 68 68 GLY C C 13 174.685 0.120 . . . . . . . 330 G C . 27649 1 289 . 1 1 68 68 GLY CA C 13 45.552 0.140 . . . . . . . 330 G CA . 27649 1 290 . 1 1 68 68 GLY N N 15 110.701 0.013 . . . . . . . 330 G N . 27649 1 291 . 1 1 69 69 GLY H H 1 8.185 0.004 . . . . . . . 331 G H . 27649 1 292 . 1 1 69 69 GLY C C 13 174.303 0.014 . . . . . . . 331 G C . 27649 1 293 . 1 1 69 69 GLY CA C 13 45.364 0.134 . . . . . . . 331 G CA . 27649 1 294 . 1 1 69 69 GLY N N 15 108.605 0.030 . . . . . . . 331 G N . 27649 1 295 . 1 1 70 70 SER H H 1 8.308 0.003 . . . . . . . 332 S H . 27649 1 296 . 1 1 70 70 SER C C 13 175.111 0.000 . . . . . . . 332 S C . 27649 1 297 . 1 1 70 70 SER CA C 13 59.947 2.275 . . . . . . . 332 S CA . 27649 1 298 . 1 1 70 70 SER CB C 13 64.014 0.144 . . . . . . . 332 S CB . 27649 1 299 . 1 1 70 70 SER N N 15 115.638 0.005 . . . . . . . 332 S N . 27649 1 300 . 1 1 71 71 GLY H H 1 8.460 0.004 . . . . . . . 333 G H . 27649 1 301 . 1 1 71 71 GLY C C 13 174.421 0.008 . . . . . . . 333 G C . 27649 1 302 . 1 1 71 71 GLY CA C 13 45.682 0.000 . . . . . . . 333 G CA . 27649 1 303 . 1 1 71 71 GLY N N 15 110.664 0.008 . . . . . . . 333 G N . 27649 1 304 . 1 1 72 72 GLY H H 1 8.126 0.004 . . . . . . . 334 G H . 27649 1 305 . 1 1 72 72 GLY C C 13 173.916 0.000 . . . . . . . 334 G C . 27649 1 306 . 1 1 72 72 GLY CA C 13 45.254 0.132 . . . . . . . 334 G CA . 27649 1 307 . 1 1 72 72 GLY N N 15 108.299 0.008 . . . . . . . 334 G N . 27649 1 308 . 1 1 73 73 TYR H H 1 8.145 0.005 . . . . . . . 335 Y H . 27649 1 309 . 1 1 73 73 TYR C C 13 176.634 0.100 . . . . . . . 335 Y C . 27649 1 310 . 1 1 73 73 TYR CA C 13 58.307 0.096 . . . . . . . 335 Y CA . 27649 1 311 . 1 1 73 73 TYR CB C 13 38.839 0.046 . . . . . . . 335 Y CB . 27649 1 312 . 1 1 73 73 TYR N N 15 120.183 0.006 . . . . . . . 335 Y N . 27649 1 313 . 1 1 74 74 GLY H H 1 8.425 0.004 . . . . . . . 336 G H . 27649 1 314 . 1 1 74 74 GLY C C 13 174.552 0.010 . . . . . . . 336 G C . 27649 1 315 . 1 1 74 74 GLY CA C 13 45.611 0.139 . . . . . . . 336 G CA . 27649 1 316 . 1 1 74 74 GLY N N 15 111.094 0.012 . . . . . . . 336 G N . 27649 1 317 . 1 1 75 75 GLY H H 1 7.917 0.003 . . . . . . . 337 G H . 27649 1 318 . 1 1 75 75 GLY C C 13 173.907 0.004 . . . . . . . 337 G C . 27649 1 319 . 1 1 75 75 GLY CA C 13 45.324 0.116 . . . . . . . 337 G CA . 27649 1 320 . 1 1 75 75 GLY N N 15 108.259 0.020 . . . . . . . 337 G N . 27649 1 321 . 1 1 76 76 ARG H H 1 8.073 0.003 . . . . . . . 338 R H . 27649 1 322 . 1 1 76 76 ARG C C 13 176.255 0.092 . . . . . . . 338 R C . 27649 1 323 . 1 1 76 76 ARG CA C 13 56.011 0.151 . . . . . . . 338 R CA . 27649 1 324 . 1 1 76 76 ARG CB C 13 31.027 0.137 . . . . . . . 338 R CB . 27649 1 325 . 1 1 76 76 ARG N N 15 120.126 0.010 . . . . . . . 338 R N . 27649 1 326 . 1 1 77 77 SER H H 1 8.352 0.003 . . . . . . . 339 S H . 27649 1 327 . 1 1 77 77 SER C C 13 174.059 0.012 . . . . . . . 339 S C . 27649 1 328 . 1 1 77 77 SER CA C 13 58.548 0.115 . . . . . . . 339 S CA . 27649 1 329 . 1 1 77 77 SER CB C 13 63.943 0.104 . . . . . . . 339 S CB . 27649 1 330 . 1 1 77 77 SER N N 15 117.054 0.008 . . . . . . . 339 S N . 27649 1 331 . 1 1 78 78 ARG H H 1 8.212 0.003 . . . . . . . 340 R H . 27649 1 332 . 1 1 78 78 ARG C C 13 174.646 0.006 . . . . . . . 340 R C . 27649 1 333 . 1 1 78 78 ARG CA C 13 56.348 0.130 . . . . . . . 340 R CA . 27649 1 334 . 1 1 78 78 ARG CB C 13 30.973 0.127 . . . . . . . 340 R CB . 27649 1 335 . 1 1 78 78 ARG N N 15 122.791 0.010 . . . . . . . 340 R N . 27649 1 336 . 1 1 79 79 TYR H H 1 7.687 0.003 . . . . . . . 341 Y H . 27649 1 337 . 1 1 79 79 TYR C C 13 174.224 0.000 . . . . . . . 341 Y C . 27649 1 338 . 1 1 79 79 TYR CA C 13 56.295 2.818 . . . . . . . 341 Y CA . 27649 1 339 . 1 1 79 79 TYR CB C 13 38.172 1.369 . . . . . . . 341 Y CB . 27649 1 340 . 1 1 79 79 TYR N N 15 125.309 0.004 . . . . . . . 341 Y N . 27649 1 stop_ save_