data_27324 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27324 _Entry.Title ; C-terminal domain of Cdc37 co-chaperone, unfolded in the presence of 8M Urea. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-03 _Entry.Accession_date 2017-12-03 _Entry.Last_release_date 2017-12-04 _Entry.Original_release_date 2017-12-04 _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 Ashleigh Bachman . . . . 27324 2 Dimitra Keramisanou . . . . 27324 3 Vasantha 'Kumar M. V.' . . . . 27324 4 Ioannis Gelis . . . . 27324 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27324 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 163 27324 '15N chemical shifts' 75 27324 '1H chemical shifts' 75 27324 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 . . 2018-03-22 2017-12-03 update BMRB 'update entry citation' 27324 1 . . 2018-01-16 2017-12-03 original author 'original release' 27324 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25740 'C-terminal domain of Cdc37 cochaperone' 27324 BMRB 27322 'C-terminal domain of Cdc37 (Y298E mutant)' 27324 BMRB 27323 'C-terminal domain of Cdc37 (Y298F mutant)' 27324 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27324 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41467-017-02711-w _Citation.PubMed_ID 29343704 _Citation.Full_citation . _Citation.Title ; Phosphorylation induced cochaperone unfolding promotes kinase recruitment and client class-specific Hsp90 phosphorylation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 265 _Citation.Page_last 265 _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 Ashleigh Bachman A. B. . . 27324 1 2 Dimitra Keramisanou D. . . . 27324 1 3 Wanping Xu W. . . . 27324 1 4 Kristin Beebe K. . . . 27324 1 5 Michael Moses M. A. . . 27324 1 6 M 'Vasantha Kumar' M. V. . . 27324 1 7 Geoffrey Gray G. . . . 27324 1 8 'Radwan Ebna' Noor R. E. . . 27324 1 9 Arjan 'van der Vaart' A. . . . 27324 1 10 Len Neckers L. . . . 27324 1 11 Ioannis Gelis I. . . . 27324 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27324 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of Cdc37' _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 'C-terminal domain of Cdc37' 1 $Cdc37 A . yes denatured no no . . . 27324 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cdc37 _Entity.Sf_category entity _Entity.Sf_framecode Cdc37 _Entity.Entry_ID 27324 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cdc37 _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 ; GMGPGGLDPVEVYESLPEEL QKCFDVKDVQMLQDAISKMD PTDAKYHMQRCIDSGLWVPN SKASEAKEGEEAGPGDPLLE AVPKTGDEKDVSV ; _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 93 _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 1 286 GLY . 27324 1 2 287 MET . 27324 1 3 288 GLY . 27324 1 4 289 PRO . 27324 1 5 290 GLY . 27324 1 6 291 GLY . 27324 1 7 292 LEU . 27324 1 8 293 ASP . 27324 1 9 294 PRO . 27324 1 10 295 VAL . 27324 1 11 296 GLU . 27324 1 12 297 VAL . 27324 1 13 298 TYR . 27324 1 14 299 GLU . 27324 1 15 300 SER . 27324 1 16 301 LEU . 27324 1 17 302 PRO . 27324 1 18 303 GLU . 27324 1 19 304 GLU . 27324 1 20 305 LEU . 27324 1 21 306 GLN . 27324 1 22 307 LYS . 27324 1 23 308 CYS . 27324 1 24 309 PHE . 27324 1 25 310 ASP . 27324 1 26 311 VAL . 27324 1 27 312 LYS . 27324 1 28 313 ASP . 27324 1 29 314 VAL . 27324 1 30 315 GLN . 27324 1 31 316 MET . 27324 1 32 317 LEU . 27324 1 33 318 GLN . 27324 1 34 319 ASP . 27324 1 35 320 ALA . 27324 1 36 321 ILE . 27324 1 37 322 SER . 27324 1 38 323 LYS . 27324 1 39 324 MET . 27324 1 40 325 ASP . 27324 1 41 326 PRO . 27324 1 42 327 THR . 27324 1 43 328 ASP . 27324 1 44 329 ALA . 27324 1 45 330 LYS . 27324 1 46 331 TYR . 27324 1 47 332 HIS . 27324 1 48 333 MET . 27324 1 49 334 GLN . 27324 1 50 335 ARG . 27324 1 51 336 CYS . 27324 1 52 337 ILE . 27324 1 53 338 ASP . 27324 1 54 339 SER . 27324 1 55 340 GLY . 27324 1 56 341 LEU . 27324 1 57 342 TRP . 27324 1 58 343 VAL . 27324 1 59 344 PRO . 27324 1 60 345 ASN . 27324 1 61 346 SER . 27324 1 62 347 LYS . 27324 1 63 348 ALA . 27324 1 64 349 SER . 27324 1 65 350 GLU . 27324 1 66 351 ALA . 27324 1 67 352 LYS . 27324 1 68 353 GLU . 27324 1 69 354 GLY . 27324 1 70 355 GLU . 27324 1 71 356 GLU . 27324 1 72 357 ALA . 27324 1 73 358 GLY . 27324 1 74 359 PRO . 27324 1 75 360 GLY . 27324 1 76 361 ASP . 27324 1 77 362 PRO . 27324 1 78 363 LEU . 27324 1 79 364 LEU . 27324 1 80 365 GLU . 27324 1 81 366 ALA . 27324 1 82 367 VAL . 27324 1 83 368 PRO . 27324 1 84 369 LYS . 27324 1 85 370 THR . 27324 1 86 371 GLY . 27324 1 87 372 ASP . 27324 1 88 373 GLU . 27324 1 89 374 LYS . 27324 1 90 375 ASP . 27324 1 91 376 VAL . 27324 1 92 377 SER . 27324 1 93 378 VAL . 27324 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 27324 1 . MET 2 2 27324 1 . GLY 3 3 27324 1 . PRO 4 4 27324 1 . GLY 5 5 27324 1 . GLY 6 6 27324 1 . LEU 7 7 27324 1 . ASP 8 8 27324 1 . PRO 9 9 27324 1 . VAL 10 10 27324 1 . GLU 11 11 27324 1 . VAL 12 12 27324 1 . TYR 13 13 27324 1 . GLU 14 14 27324 1 . SER 15 15 27324 1 . LEU 16 16 27324 1 . PRO 17 17 27324 1 . GLU 18 18 27324 1 . GLU 19 19 27324 1 . LEU 20 20 27324 1 . GLN 21 21 27324 1 . LYS 22 22 27324 1 . CYS 23 23 27324 1 . PHE 24 24 27324 1 . ASP 25 25 27324 1 . VAL 26 26 27324 1 . LYS 27 27 27324 1 . ASP 28 28 27324 1 . VAL 29 29 27324 1 . GLN 30 30 27324 1 . MET 31 31 27324 1 . LEU 32 32 27324 1 . GLN 33 33 27324 1 . ASP 34 34 27324 1 . ALA 35 35 27324 1 . ILE 36 36 27324 1 . SER 37 37 27324 1 . LYS 38 38 27324 1 . MET 39 39 27324 1 . ASP 40 40 27324 1 . PRO 41 41 27324 1 . THR 42 42 27324 1 . ASP 43 43 27324 1 . ALA 44 44 27324 1 . LYS 45 45 27324 1 . TYR 46 46 27324 1 . HIS 47 47 27324 1 . MET 48 48 27324 1 . GLN 49 49 27324 1 . ARG 50 50 27324 1 . CYS 51 51 27324 1 . ILE 52 52 27324 1 . ASP 53 53 27324 1 . SER 54 54 27324 1 . GLY 55 55 27324 1 . LEU 56 56 27324 1 . TRP 57 57 27324 1 . VAL 58 58 27324 1 . PRO 59 59 27324 1 . ASN 60 60 27324 1 . SER 61 61 27324 1 . LYS 62 62 27324 1 . ALA 63 63 27324 1 . SER 64 64 27324 1 . GLU 65 65 27324 1 . ALA 66 66 27324 1 . LYS 67 67 27324 1 . GLU 68 68 27324 1 . GLY 69 69 27324 1 . GLU 70 70 27324 1 . GLU 71 71 27324 1 . ALA 72 72 27324 1 . GLY 73 73 27324 1 . PRO 74 74 27324 1 . GLY 75 75 27324 1 . ASP 76 76 27324 1 . PRO 77 77 27324 1 . LEU 78 78 27324 1 . LEU 79 79 27324 1 . GLU 80 80 27324 1 . ALA 81 81 27324 1 . VAL 82 82 27324 1 . PRO 83 83 27324 1 . LYS 84 84 27324 1 . THR 85 85 27324 1 . GLY 86 86 27324 1 . ASP 87 87 27324 1 . GLU 88 88 27324 1 . LYS 89 89 27324 1 . ASP 90 90 27324 1 . VAL 91 91 27324 1 . SER 92 92 27324 1 . VAL 93 93 27324 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 27324 _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 $Cdc37 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27324 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 27324 _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 $Cdc37 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PDB.HIS.MBP . . . 27324 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27324 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Cdc37 '[U-100% 13C; U-100% 15N]' . . 1 $Cdc37 . . 0.5 . . mM . . . . 27324 2 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27324 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Cdc37 '[U-100% 15N]' . . 1 $Cdc37 . . 0.5 . . mM . . . . 27324 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 27324 _Sample_condition_list.ID 1 _Sample_condition_list.Details '8M Urea' 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' 0.1 . M 27324 1 pH 7.5 . pH 27324 1 pressure 1 . atm 27324 1 temperature 273 . K 27324 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27324 _Software.ID 1 _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 . . 27324 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27324 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 27324 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model 'direct drive' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27324 _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 Agilent 'direct drive' . 800 . . . 27324 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 27324 _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 . . . . . . . . . . . . . . . . 27324 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27324 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27324 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27324 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27324 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27324 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 27324 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 27324 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 27324 _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' . . . 27324 1 2 '3D CBCA(CO)NH' . . . 27324 1 3 '3D HNCO' . . . 27324 1 4 '3D HNCA' . . . 27324 1 5 '3D HNCACB' . . . 27324 1 6 '3D HN(CO)CA' . . . 27324 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 3 3 GLY H H 1 8.370 . . . . . . . . 288 GLY HN . 27324 1 2 . 1 1 3 3 GLY N N 15 110.318 . . . . . . . . 288 GLY N . 27324 1 3 . 1 1 4 4 PRO CA C 13 63.728 . . . . . . . . 289 PRO CA . 27324 1 4 . 1 1 4 4 PRO CB C 13 32.405 . . . . . . . . 289 PRO CB . 27324 1 5 . 1 1 5 5 GLY H H 1 8.589 . . . . . . . . 290 GLY HN . 27324 1 6 . 1 1 5 5 GLY CA C 13 45.419 . . . . . . . . 290 GLY CA . 27324 1 7 . 1 1 5 5 GLY N N 15 109.394 . . . . . . . . 290 GLY N . 27324 1 8 . 1 1 6 6 GLY H H 1 8.277 . . . . . . . . 291 GLY HN . 27324 1 9 . 1 1 6 6 GLY CA C 13 45.413 . . . . . . . . 291 GLY CA . 27324 1 10 . 1 1 6 6 GLY N N 15 108.534 . . . . . . . . 291 GLY N . 27324 1 11 . 1 1 7 7 LEU H H 1 8.186 . . . . . . . . 292 LEU HN . 27324 1 12 . 1 1 7 7 LEU CA C 13 55.000 . . . . . . . . 292 LEU CA . 27324 1 13 . 1 1 7 7 LEU CB C 13 42.949 . . . . . . . . 292 LEU CB . 27324 1 14 . 1 1 7 7 LEU N N 15 121.380 . . . . . . . . 292 LEU N . 27324 1 15 . 1 1 8 8 ASP H H 1 8.488 . . . . . . . . 293 ASP HN . 27324 1 16 . 1 1 8 8 ASP CA C 13 53.000 . . . . . . . . 293 ASP CA . 27324 1 17 . 1 1 8 8 ASP CB C 13 41.022 . . . . . . . . 293 ASP CB . 27324 1 18 . 1 1 8 8 ASP N N 15 122.856 . . . . . . . . 293 ASP N . 27324 1 19 . 1 1 9 9 PRO CA C 13 63.313 . . . . . . . . 294 PRO CA . 27324 1 20 . 1 1 9 9 PRO CB C 13 32.324 . . . . . . . . 294 PRO CB . 27324 1 21 . 1 1 10 10 VAL H H 1 8.277 . . . . . . . . 295 VAL HN . 27324 1 22 . 1 1 10 10 VAL CA C 13 62.675 . . . . . . . . 295 VAL CA . 27324 1 23 . 1 1 10 10 VAL CB C 13 32.996 . . . . . . . . 295 VAL CB . 27324 1 24 . 1 1 10 10 VAL N N 15 119.898 . . . . . . . . 295 VAL N . 27324 1 25 . 1 1 11 11 GLU H H 1 8.446 . . . . . . . . 296 GLU HN . 27324 1 26 . 1 1 11 11 GLU CA C 13 56.629 . . . . . . . . 296 GLU CA . 27324 1 27 . 1 1 11 11 GLU CB C 13 30.790 . . . . . . . . 296 GLU CB . 27324 1 28 . 1 1 11 11 GLU N N 15 124.058 . . . . . . . . 296 GLU N . 27324 1 29 . 1 1 12 12 VAL H H 1 8.148 . . . . . . . . 297 VAL HN . 27324 1 30 . 1 1 12 12 VAL CA C 13 62.242 . . . . . . . . 297 VAL CA . 27324 1 31 . 1 1 12 12 VAL CB C 13 33.286 . . . . . . . . 297 VAL CB . 27324 1 32 . 1 1 12 12 VAL N N 15 121.098 . . . . . . . . 297 VAL N . 27324 1 33 . 1 1 13 13 TYR H H 1 8.376 . . . . . . . . 298 TYR HN . 27324 1 34 . 1 1 13 13 TYR CA C 13 57.808 . . . . . . . . 298 TYR CA . 27324 1 35 . 1 1 13 13 TYR CB C 13 39.190 . . . . . . . . 298 TYR CB . 27324 1 36 . 1 1 13 13 TYR N N 15 124.381 . . . . . . . . 298 TYR N . 27324 1 37 . 1 1 14 14 GLU H H 1 8.458 . . . . . . . . 299 GLU HN . 27324 1 38 . 1 1 14 14 GLU CA C 13 56.502 . . . . . . . . 299 GLU CA . 27324 1 39 . 1 1 14 14 GLU CB C 13 30.941 . . . . . . . . 299 GLU CB . 27324 1 40 . 1 1 14 14 GLU N N 15 122.891 . . . . . . . . 299 GLU N . 27324 1 41 . 1 1 15 15 SER H H 1 8.374 . . . . . . . . 300 SER HN . 27324 1 42 . 1 1 15 15 SER CA C 13 58.179 . . . . . . . . 300 SER CA . 27324 1 43 . 1 1 15 15 SER CB C 13 64.200 . . . . . . . . 300 SER CB . 27324 1 44 . 1 1 15 15 SER N N 15 117.354 . . . . . . . . 300 SER N . 27324 1 45 . 1 1 16 16 LEU H H 1 8.499 . . . . . . . . 301 LEU HN . 27324 1 46 . 1 1 16 16 LEU CA C 13 53.294 . . . . . . . . 301 LEU CA . 27324 1 47 . 1 1 16 16 LEU CB C 13 42.188 . . . . . . . . 301 LEU CB . 27324 1 48 . 1 1 16 16 LEU N N 15 125.472 . . . . . . . . 301 LEU N . 27324 1 49 . 1 1 17 17 PRO CA C 13 63.410 . . . . . . . . 302 PRO CA . 27324 1 50 . 1 1 17 17 PRO CB C 13 32.288 . . . . . . . . 302 PRO CB . 27324 1 51 . 1 1 18 18 GLU H H 1 8.704 . . . . . . . . 303 GLU HN . 27324 1 52 . 1 1 18 18 GLU CA C 13 57.684 . . . . . . . . 303 GLU CA . 27324 1 53 . 1 1 18 18 GLU CB C 13 30.452 . . . . . . . . 303 GLU CB . 27324 1 54 . 1 1 18 18 GLU N N 15 121.601 . . . . . . . . 303 GLU N . 27324 1 55 . 1 1 19 19 GLU H H 1 8.670 . . . . . . . . 304 GLU HN . 27324 1 56 . 1 1 19 19 GLU CA C 13 57.084 . . . . . . . . 304 GLU CA . 27324 1 57 . 1 1 19 19 GLU CB C 13 30.359 . . . . . . . . 304 GLU CB . 27324 1 58 . 1 1 19 19 GLU N N 15 121.102 . . . . . . . . 304 GLU N . 27324 1 59 . 1 1 20 20 LEU H H 1 8.190 . . . . . . . . 305 LEU HN . 27324 1 60 . 1 1 20 20 LEU CA C 13 55.334 . . . . . . . . 305 LEU CA . 27324 1 61 . 1 1 20 20 LEU CB C 13 42.698 . . . . . . . . 305 LEU CB . 27324 1 62 . 1 1 20 20 LEU N N 15 122.599 . . . . . . . . 305 LEU N . 27324 1 63 . 1 1 21 21 GLN H H 1 8.388 . . . . . . . . 306 GLN HN . 27324 1 64 . 1 1 21 21 GLN CA C 13 56.335 . . . . . . . . 306 GLN CA . 27324 1 65 . 1 1 21 21 GLN CB C 13 29.511 . . . . . . . . 306 GLN CB . 27324 1 66 . 1 1 21 21 GLN N N 15 121.134 . . . . . . . . 306 GLN N . 27324 1 67 . 1 1 22 22 LYS H H 1 8.409 . . . . . . . . 307 LYS HN . 27324 1 68 . 1 1 22 22 LYS CA C 13 56.566 . . . . . . . . 307 LYS CA . 27324 1 69 . 1 1 22 22 LYS CB C 13 33.423 . . . . . . . . 307 LYS CB . 27324 1 70 . 1 1 22 22 LYS N N 15 122.491 . . . . . . . . 307 LYS N . 27324 1 71 . 1 1 24 24 PHE CA C 13 57.797 . . . . . . . . 309 PHE CA . 27324 1 72 . 1 1 24 24 PHE CB C 13 40.056 . . . . . . . . 309 PHE CB . 27324 1 73 . 1 1 25 25 ASP H H 1 8.459 . . . . . . . . 310 ASP HN . 27324 1 74 . 1 1 25 25 ASP CA C 13 54.357 . . . . . . . . 310 ASP CA . 27324 1 75 . 1 1 25 25 ASP CB C 13 41.952 . . . . . . . . 310 ASP CB . 27324 1 76 . 1 1 25 25 ASP N N 15 122.385 . . . . . . . . 310 ASP N . 27324 1 77 . 1 1 26 26 VAL H H 1 8.168 . . . . . . . . 311 VAL HN . 27324 1 78 . 1 1 26 26 VAL CA C 13 62.619 . . . . . . . . 311 VAL CA . 27324 1 79 . 1 1 26 26 VAL CB C 13 32.934 . . . . . . . . 311 VAL CB . 27324 1 80 . 1 1 26 26 VAL N N 15 120.770 . . . . . . . . 311 VAL N . 27324 1 81 . 1 1 27 27 LYS H H 1 8.486 . . . . . . . . 312 LYS HN . 27324 1 82 . 1 1 27 27 LYS CA C 13 56.599 . . . . . . . . 312 LYS CA . 27324 1 83 . 1 1 27 27 LYS CB C 13 33.368 . . . . . . . . 312 LYS CB . 27324 1 84 . 1 1 27 27 LYS N N 15 124.397 . . . . . . . . 312 LYS N . 27324 1 85 . 1 1 28 28 ASP H H 1 8.368 . . . . . . . . 313 ASP HN . 27324 1 86 . 1 1 28 28 ASP CA C 13 54.596 . . . . . . . . 313 ASP CA . 27324 1 87 . 1 1 28 28 ASP CB C 13 41.575 . . . . . . . . 313 ASP CB . 27324 1 88 . 1 1 28 28 ASP N N 15 121.578 . . . . . . . . 313 ASP N . 27324 1 89 . 1 1 29 29 VAL H H 1 8.122 . . . . . . . . 314 VAL HN . 27324 1 90 . 1 1 29 29 VAL CA C 13 62.685 . . . . . . . . 314 VAL CA . 27324 1 91 . 1 1 29 29 VAL CB C 13 32.938 . . . . . . . . 314 VAL CB . 27324 1 92 . 1 1 29 29 VAL N N 15 119.903 . . . . . . . . 314 VAL N . 27324 1 93 . 1 1 30 30 GLN H H 1 8.508 . . . . . . . . 315 GLN HN . 27324 1 94 . 1 1 30 30 GLN CA C 13 56.333 . . . . . . . . 315 GLN CA . 27324 1 95 . 1 1 30 30 GLN CB C 13 29.600 . . . . . . . . 315 GLN CB . 27324 1 96 . 1 1 30 30 GLN N N 15 123.413 . . . . . . . . 315 GLN N . 27324 1 97 . 1 1 31 31 MET CA C 13 55.791 . . . . . . . . 316 MET CA . 27324 1 98 . 1 1 31 31 MET CB C 13 33.236 . . . . . . . . 316 MET CB . 27324 1 99 . 1 1 32 32 LEU H H 1 8.370 . . . . . . . . 317 LEU HN . 27324 1 100 . 1 1 32 32 LEU CA C 13 55.517 . . . . . . . . 317 LEU CA . 27324 1 101 . 1 1 32 32 LEU CB C 13 42.518 . . . . . . . . 317 LEU CB . 27324 1 102 . 1 1 32 32 LEU N N 15 123.595 . . . . . . . . 317 LEU N . 27324 1 103 . 1 1 33 33 GLN H H 1 8.510 . . . . . . . . 318 GLN HN . 27324 1 104 . 1 1 33 33 GLN CA C 13 56.363 . . . . . . . . 318 GLN CA . 27324 1 105 . 1 1 33 33 GLN CB C 13 29.707 . . . . . . . . 318 GLN CB . 27324 1 106 . 1 1 33 33 GLN N N 15 121.044 . . . . . . . . 318 GLN N . 27324 1 107 . 1 1 34 34 ASP H H 1 8.445 . . . . . . . . 319 ASP HN . 27324 1 108 . 1 1 34 34 ASP CA C 13 54.688 . . . . . . . . 319 ASP CA . 27324 1 109 . 1 1 34 34 ASP CB C 13 41.649 . . . . . . . . 319 ASP CB . 27324 1 110 . 1 1 34 34 ASP N N 15 121.611 . . . . . . . . 319 ASP N . 27324 1 111 . 1 1 35 35 ALA H H 1 8.262 . . . . . . . . 320 ALA HN . 27324 1 112 . 1 1 35 35 ALA CA C 13 52.916 . . . . . . . . 320 ALA CA . 27324 1 113 . 1 1 35 35 ALA CB C 13 19.424 . . . . . . . . 320 ALA CB . 27324 1 114 . 1 1 35 35 ALA N N 15 123.855 . . . . . . . . 320 ALA N . 27324 1 115 . 1 1 36 36 ILE H H 1 8.132 . . . . . . . . 321 ILE HN . 27324 1 116 . 1 1 36 36 ILE CA C 13 61.531 . . . . . . . . 321 ILE CA . 27324 1 117 . 1 1 36 36 ILE CB C 13 39.014 . . . . . . . . 321 ILE CB . 27324 1 118 . 1 1 36 36 ILE N N 15 119.299 . . . . . . . . 321 ILE N . 27324 1 119 . 1 1 37 37 SER H H 1 8.401 . . . . . . . . 322 SER HN . 27324 1 120 . 1 1 37 37 SER CA C 13 58.651 . . . . . . . . 322 SER CA . 27324 1 121 . 1 1 37 37 SER CB C 13 64.055 . . . . . . . . 322 SER CB . 27324 1 122 . 1 1 37 37 SER N N 15 119.333 . . . . . . . . 322 SER N . 27324 1 123 . 1 1 38 38 LYS H H 1 8.457 . . . . . . . . 323 LYS HN . 27324 1 124 . 1 1 38 38 LYS CA C 13 56.566 . . . . . . . . 323 LYS CA . 27324 1 125 . 1 1 38 38 LYS CB C 13 30.922 . . . . . . . . 323 LYS CB . 27324 1 126 . 1 1 38 38 LYS N N 15 122.794 . . . . . . . . 323 LYS N . 27324 1 127 . 1 1 41 41 PRO CA C 13 63.790 . . . . . . . . 326 PRO CA . 27324 1 128 . 1 1 42 42 THR H H 1 8.430 . . . . . . . . 327 THR HN . 27324 1 129 . 1 1 42 42 THR CA C 13 62.690 . . . . . . . . 327 THR CA . 27324 1 130 . 1 1 42 42 THR CB C 13 69.862 . . . . . . . . 327 THR CB . 27324 1 131 . 1 1 42 42 THR N N 15 112.928 . . . . . . . . 327 THR N . 27324 1 132 . 1 1 43 43 ASP H H 1 8.226 . . . . . . . . 328 ASP HN . 27324 1 133 . 1 1 43 43 ASP CA C 13 54.637 . . . . . . . . 328 ASP CA . 27324 1 134 . 1 1 43 43 ASP CB C 13 41.816 . . . . . . . . 328 ASP CB . 27324 1 135 . 1 1 43 43 ASP N N 15 122.448 . . . . . . . . 328 ASP N . 27324 1 136 . 1 1 44 44 ALA H H 1 8.269 . . . . . . . . 329 ALA HN . 27324 1 137 . 1 1 44 44 ALA CA C 13 53.362 . . . . . . . . 329 ALA CA . 27324 1 138 . 1 1 44 44 ALA CB C 13 19.283 . . . . . . . . 329 ALA CB . 27324 1 139 . 1 1 44 44 ALA N N 15 124.949 . . . . . . . . 329 ALA N . 27324 1 140 . 1 1 45 45 LYS H H 1 8.325 . . . . . . . . 330 LYS HN . 27324 1 141 . 1 1 45 45 LYS CA C 13 57.048 . . . . . . . . 330 LYS CA . 27324 1 142 . 1 1 45 45 LYS CB C 13 32.963 . . . . . . . . 330 LYS CB . 27324 1 143 . 1 1 45 45 LYS N N 15 119.107 . . . . . . . . 330 LYS N . 27324 1 144 . 1 1 46 46 TYR H H 1 8.050 . . . . . . . . 331 TYR HN . 27324 1 145 . 1 1 46 46 TYR CA C 13 58.219 . . . . . . . . 331 TYR CA . 27324 1 146 . 1 1 46 46 TYR CB C 13 38.965 . . . . . . . . 331 TYR CB . 27324 1 147 . 1 1 46 46 TYR N N 15 119.787 . . . . . . . . 331 TYR N . 27324 1 148 . 1 1 47 47 HIS H H 1 8.246 . . . . . . . . 332 HIS HN . 27324 1 149 . 1 1 47 47 HIS CA C 13 56.656 . . . . . . . . 332 HIS CA . 27324 1 150 . 1 1 47 47 HIS CB C 13 31.409 . . . . . . . . 332 HIS CB . 27324 1 151 . 1 1 47 47 HIS N N 15 120.841 . . . . . . . . 332 HIS N . 27324 1 152 . 1 1 48 48 MET H H 1 8.261 . . . . . . . . 333 MET HN . 27324 1 153 . 1 1 48 48 MET CA C 13 55.956 . . . . . . . . 333 MET CA . 27324 1 154 . 1 1 48 48 MET CB C 13 33.223 . . . . . . . . 333 MET CB . 27324 1 155 . 1 1 48 48 MET N N 15 121.444 . . . . . . . . 333 MET N . 27324 1 156 . 1 1 49 49 GLN H H 1 8.537 . . . . . . . . 334 GLN HN . 27324 1 157 . 1 1 49 49 GLN CA C 13 56.211 . . . . . . . . 334 GLN CA . 27324 1 158 . 1 1 49 49 GLN CB C 13 29.807 . . . . . . . . 334 GLN CB . 27324 1 159 . 1 1 49 49 GLN N N 15 121.711 . . . . . . . . 334 GLN N . 27324 1 160 . 1 1 51 51 CYS CA C 13 58.822 . . . . . . . . 336 CYS CA . 27324 1 161 . 1 1 51 51 CYS CB C 13 28.331 . . . . . . . . 336 CYS CB . 27324 1 162 . 1 1 52 52 ILE H H 1 8.397 . . . . . . . . 337 ILE HN . 27324 1 163 . 1 1 52 52 ILE CA C 13 61.645 . . . . . . . . 337 ILE CA . 27324 1 164 . 1 1 52 52 ILE CB C 13 39.169 . . . . . . . . 337 ILE CB . 27324 1 165 . 1 1 52 52 ILE N N 15 123.306 . . . . . . . . 337 ILE N . 27324 1 166 . 1 1 53 53 ASP H H 1 8.455 . . . . . . . . 338 ASP HN . 27324 1 167 . 1 1 53 53 ASP CA C 13 54.616 . . . . . . . . 338 ASP CA . 27324 1 168 . 1 1 53 53 ASP CB C 13 41.667 . . . . . . . . 338 ASP CB . 27324 1 169 . 1 1 53 53 ASP N N 15 124.060 . . . . . . . . 338 ASP N . 27324 1 170 . 1 1 54 54 SER H H 1 8.375 . . . . . . . . 339 SER HN . 27324 1 171 . 1 1 54 54 SER CA C 13 59.089 . . . . . . . . 339 SER CA . 27324 1 172 . 1 1 54 54 SER CB C 13 64.153 . . . . . . . . 339 SER CB . 27324 1 173 . 1 1 54 54 SER N N 15 116.831 . . . . . . . . 339 SER N . 27324 1 174 . 1 1 55 55 GLY H H 1 8.557 . . . . . . . . 340 GLY HN . 27324 1 175 . 1 1 55 55 GLY CA C 13 45.615 . . . . . . . . 340 GLY CA . 27324 1 176 . 1 1 55 55 GLY N N 15 110.621 . . . . . . . . 340 GLY N . 27324 1 177 . 1 1 56 56 LEU H H 1 7.980 . . . . . . . . 341 LEU HN . 27324 1 178 . 1 1 56 56 LEU CA C 13 55.299 . . . . . . . . 341 LEU CA . 27324 1 179 . 1 1 56 56 LEU CB C 13 42.764 . . . . . . . . 341 LEU CB . 27324 1 180 . 1 1 56 56 LEU N N 15 121.256 . . . . . . . . 341 LEU N . 27324 1 181 . 1 1 57 57 TRP H H 1 8.326 . . . . . . . . 342 TRP HN . 27324 1 182 . 1 1 57 57 TRP CA C 13 57.580 . . . . . . . . 342 TRP CA . 27324 1 183 . 1 1 57 57 TRP CB C 13 29.779 . . . . . . . . 342 TRP CB . 27324 1 184 . 1 1 57 57 TRP N N 15 122.916 . . . . . . . . 342 TRP N . 27324 1 185 . 1 1 58 58 VAL H H 1 7.909 . . . . . . . . 343 VAL HN . 27324 1 186 . 1 1 58 58 VAL CA C 13 59.317 . . . . . . . . 343 VAL CA . 27324 1 187 . 1 1 58 58 VAL CB C 13 33.425 . . . . . . . . 343 VAL CB . 27324 1 188 . 1 1 58 58 VAL N N 15 124.112 . . . . . . . . 343 VAL N . 27324 1 189 . 1 1 59 59 PRO CA C 13 63.078 . . . . . . . . 344 PRO CA . 27324 1 190 . 1 1 59 59 PRO CB C 13 32.251 . . . . . . . . 344 PRO CB . 27324 1 191 . 1 1 60 60 ASN H H 1 8.541 . . . . . . . . 345 ASN HN . 27324 1 192 . 1 1 60 60 ASN CA C 13 53.475 . . . . . . . . 345 ASN CA . 27324 1 193 . 1 1 60 60 ASN CB C 13 39.000 . . . . . . . . 345 ASN CB . 27324 1 194 . 1 1 60 60 ASN N N 15 118.822 . . . . . . . . 345 ASN N . 27324 1 195 . 1 1 61 61 SER H H 1 8.363 . . . . . . . . 346 SER HN . 27324 1 196 . 1 1 61 61 SER CA C 13 58.660 . . . . . . . . 346 SER CA . 27324 1 197 . 1 1 61 61 SER CB C 13 64.147 . . . . . . . . 346 SER CB . 27324 1 198 . 1 1 61 61 SER N N 15 116.402 . . . . . . . . 346 SER N . 27324 1 199 . 1 1 62 62 LYS CA C 13 56.271 . . . . . . . . 347 LYS CA . 27324 1 200 . 1 1 63 63 ALA H H 1 8.494 . . . . . . . . 348 ALA HN . 27324 1 201 . 1 1 63 63 ALA CA C 13 52.948 . . . . . . . . 348 ALA CA . 27324 1 202 . 1 1 63 63 ALA CB C 13 19.289 . . . . . . . . 348 ALA CB . 27324 1 203 . 1 1 63 63 ALA N N 15 122.417 . . . . . . . . 348 ALA N . 27324 1 204 . 1 1 64 64 SER H H 1 8.335 . . . . . . . . 349 SER HN . 27324 1 205 . 1 1 64 64 SER CA C 13 58.673 . . . . . . . . 349 SER CA . 27324 1 206 . 1 1 64 64 SER CB C 13 64.096 . . . . . . . . 349 SER CB . 27324 1 207 . 1 1 64 64 SER N N 15 114.975 . . . . . . . . 349 SER N . 27324 1 208 . 1 1 65 65 GLU H H 1 8.456 . . . . . . . . 350 GLU HN . 27324 1 209 . 1 1 65 65 GLU CA C 13 56.578 . . . . . . . . 350 GLU CA . 27324 1 210 . 1 1 65 65 GLU CB C 13 30.788 . . . . . . . . 350 GLU CB . 27324 1 211 . 1 1 65 65 GLU N N 15 123.005 . . . . . . . . 350 GLU N . 27324 1 212 . 1 1 66 66 ALA H H 1 8.342 . . . . . . . . 351 ALA HN . 27324 1 213 . 1 1 66 66 ALA CA C 13 52.609 . . . . . . . . 351 ALA CA . 27324 1 214 . 1 1 66 66 ALA CB C 13 19.444 . . . . . . . . 351 ALA CB . 27324 1 215 . 1 1 66 66 ALA N N 15 125.100 . . . . . . . . 351 ALA N . 27324 1 216 . 1 1 67 67 LYS H H 1 8.432 . . . . . . . . 352 LYS HN . 27324 1 217 . 1 1 67 67 LYS CA C 13 56.364 . . . . . . . . 352 LYS CA . 27324 1 218 . 1 1 67 67 LYS CB C 13 33.496 . . . . . . . . 352 LYS CB . 27324 1 219 . 1 1 67 67 LYS N N 15 121.587 . . . . . . . . 352 LYS N . 27324 1 220 . 1 1 68 68 GLU H H 1 8.624 . . . . . . . . 353 GLU HN . 27324 1 221 . 1 1 68 68 GLU CA C 13 57.041 . . . . . . . . 353 GLU CA . 27324 1 222 . 1 1 68 68 GLU CB C 13 30.563 . . . . . . . . 353 GLU CB . 27324 1 223 . 1 1 68 68 GLU N N 15 122.596 . . . . . . . . 353 GLU N . 27324 1 224 . 1 1 69 69 GLY H H 1 8.562 . . . . . . . . 354 GLY HN . 27324 1 225 . 1 1 69 69 GLY CA C 13 45.447 . . . . . . . . 354 GLY CA . 27324 1 226 . 1 1 69 69 GLY N N 15 110.380 . . . . . . . . 354 GLY N . 27324 1 227 . 1 1 70 70 GLU H H 1 8.307 . . . . . . . . 355 GLU HN . 27324 1 228 . 1 1 70 70 GLU CA C 13 56.657 . . . . . . . . 355 GLU CA . 27324 1 229 . 1 1 70 70 GLU CB C 13 30.816 . . . . . . . . 355 GLU CB . 27324 1 230 . 1 1 70 70 GLU N N 15 120.462 . . . . . . . . 355 GLU N . 27324 1 231 . 1 1 71 71 GLU H H 1 8.637 . . . . . . . . 356 GLU HN . 27324 1 232 . 1 1 71 71 GLU CA C 13 56.672 . . . . . . . . 356 GLU CA . 27324 1 233 . 1 1 71 71 GLU CB C 13 30.573 . . . . . . . . 356 GLU CB . 27324 1 234 . 1 1 71 71 GLU N N 15 122.122 . . . . . . . . 356 GLU N . 27324 1 235 . 1 1 72 72 ALA H H 1 8.419 . . . . . . . . 357 ALA HN . 27324 1 236 . 1 1 72 72 ALA CA C 13 52.651 . . . . . . . . 357 ALA CA . 27324 1 237 . 1 1 72 72 ALA CB C 13 19.697 . . . . . . . . 357 ALA CB . 27324 1 238 . 1 1 72 72 ALA N N 15 125.236 . . . . . . . . 357 ALA N . 27324 1 239 . 1 1 73 73 GLY H H 1 8.344 . . . . . . . . 358 GLY HN . 27324 1 240 . 1 1 73 73 GLY CA C 13 44.685 . . . . . . . . 358 GLY CA . 27324 1 241 . 1 1 73 73 GLY N N 15 108.379 . . . . . . . . 358 GLY N . 27324 1 242 . 1 1 74 74 PRO CA C 13 63.653 . . . . . . . . 359 PRO CA . 27324 1 243 . 1 1 74 74 PRO CB C 13 32.372 . . . . . . . . 359 PRO CB . 27324 1 244 . 1 1 75 75 GLY H H 1 8.467 . . . . . . . . 360 GLY HN . 27324 1 245 . 1 1 75 75 GLY CA C 13 44.977 . . . . . . . . 360 GLY CA . 27324 1 246 . 1 1 75 75 GLY N N 15 109.109 . . . . . . . . 360 GLY N . 27324 1 247 . 1 1 76 76 ASP H H 1 8.306 . . . . . . . . 361 ASP HN . 27324 1 248 . 1 1 76 76 ASP CA C 13 52.739 . . . . . . . . 361 ASP CA . 27324 1 249 . 1 1 76 76 ASP CB C 13 41.357 . . . . . . . . 361 ASP CB . 27324 1 250 . 1 1 76 76 ASP N N 15 121.852 . . . . . . . . 361 ASP N . 27324 1 251 . 1 1 77 77 PRO CA C 13 63.537 . . . . . . . . 362 PRO CA . 27324 1 252 . 1 1 77 77 PRO CB C 13 32.338 . . . . . . . . 362 PRO CB . 27324 1 253 . 1 1 78 78 LEU H H 1 8.464 . . . . . . . . 363 LEU HN . 27324 1 254 . 1 1 78 78 LEU CA C 13 55.457 . . . . . . . . 363 LEU CA . 27324 1 255 . 1 1 78 78 LEU CB C 13 42.030 . . . . . . . . 363 LEU CB . 27324 1 256 . 1 1 78 78 LEU N N 15 121.568 . . . . . . . . 363 LEU N . 27324 1 257 . 1 1 79 79 LEU H H 1 8.184 . . . . . . . . 364 LEU HN . 27324 1 258 . 1 1 79 79 LEU CA C 13 55.277 . . . . . . . . 364 LEU CA . 27324 1 259 . 1 1 79 79 LEU CB C 13 42.618 . . . . . . . . 364 LEU CB . 27324 1 260 . 1 1 79 79 LEU N N 15 122.859 . . . . . . . . 364 LEU N . 27324 1 261 . 1 1 80 80 GLU H H 1 8.367 . . . . . . . . 365 GLU HN . 27324 1 262 . 1 1 80 80 GLU CA C 13 56.544 . . . . . . . . 365 GLU CA . 27324 1 263 . 1 1 80 80 GLU CB C 13 30.758 . . . . . . . . 365 GLU CB . 27324 1 264 . 1 1 80 80 GLU N N 15 121.669 . . . . . . . . 365 GLU N . 27324 1 265 . 1 1 81 81 ALA H H 1 8.346 . . . . . . . . 366 ALA HN . 27324 1 266 . 1 1 81 81 ALA CA C 13 52.540 . . . . . . . . 366 ALA CA . 27324 1 267 . 1 1 81 81 ALA CB C 13 19.460 . . . . . . . . 366 ALA CB . 27324 1 268 . 1 1 81 81 ALA N N 15 125.344 . . . . . . . . 366 ALA N . 27324 1 269 . 1 1 82 82 VAL H H 1 8.148 . . . . . . . . 367 VAL HN . 27324 1 270 . 1 1 82 82 VAL CA C 13 59.943 . . . . . . . . 367 VAL CA . 27324 1 271 . 1 1 82 82 VAL CB C 13 32.979 . . . . . . . . 367 VAL CB . 27324 1 272 . 1 1 82 82 VAL N N 15 120.646 . . . . . . . . 367 VAL N . 27324 1 273 . 1 1 83 83 PRO CA C 13 63.272 . . . . . . . . 368 PRO CA . 27324 1 274 . 1 1 83 83 PRO CB C 13 32.410 . . . . . . . . 368 PRO CB . 27324 1 275 . 1 1 84 84 LYS H H 1 8.563 . . . . . . . . 369 LYS HN . 27324 1 276 . 1 1 84 84 LYS CA C 13 56.429 . . . . . . . . 369 LYS CA . 27324 1 277 . 1 1 84 84 LYS CB C 13 33.460 . . . . . . . . 369 LYS CB . 27324 1 278 . 1 1 84 84 LYS N N 15 122.475 . . . . . . . . 369 LYS N . 27324 1 279 . 1 1 85 85 THR H H 1 8.459 . . . . . . . . 370 THR HN . 27324 1 280 . 1 1 85 85 THR CA C 13 61.933 . . . . . . . . 370 THR CA . 27324 1 281 . 1 1 85 85 THR CB C 13 70.395 . . . . . . . . 370 THR CB . 27324 1 282 . 1 1 85 85 THR N N 15 115.338 . . . . . . . . 370 THR N . 27324 1 283 . 1 1 86 86 GLY H H 1 8.605 . . . . . . . . 371 GLY HN . 27324 1 284 . 1 1 86 86 GLY CA C 13 45.462 . . . . . . . . 371 GLY CA . 27324 1 285 . 1 1 86 86 GLY N N 15 111.099 . . . . . . . . 371 GLY N . 27324 1 286 . 1 1 87 87 ASP H H 1 8.360 . . . . . . . . 372 ASP HN . 27324 1 287 . 1 1 87 87 ASP CA C 13 54.446 . . . . . . . . 372 ASP CA . 27324 1 288 . 1 1 87 87 ASP CB C 13 41.783 . . . . . . . . 372 ASP CB . 27324 1 289 . 1 1 87 87 ASP N N 15 120.596 . . . . . . . . 372 ASP N . 27324 1 290 . 1 1 88 88 GLU H H 1 8.648 . . . . . . . . 373 GLU HN . 27324 1 291 . 1 1 88 88 GLU CA C 13 57.267 . . . . . . . . 373 GLU CA . 27324 1 292 . 1 1 88 88 GLU CB C 13 30.274 . . . . . . . . 373 GLU CB . 27324 1 293 . 1 1 88 88 GLU N N 15 121.500 . . . . . . . . 373 GLU N . 27324 1 294 . 1 1 89 89 LYS H H 1 8.427 . . . . . . . . 374 LYS HN . 27324 1 295 . 1 1 89 89 LYS CA C 13 56.416 . . . . . . . . 374 LYS CA . 27324 1 296 . 1 1 89 89 LYS CB C 13 33.426 . . . . . . . . 374 LYS CB . 27324 1 297 . 1 1 89 89 LYS N N 15 121.561 . . . . . . . . 374 LYS N . 27324 1 298 . 1 1 90 90 ASP H H 1 8.439 . . . . . . . . 375 ASP HN . 27324 1 299 . 1 1 90 90 ASP CA C 13 54.550 . . . . . . . . 375 ASP CA . 27324 1 300 . 1 1 90 90 ASP CB C 13 41.507 . . . . . . . . 375 ASP CB . 27324 1 301 . 1 1 90 90 ASP N N 15 121.596 . . . . . . . . 375 ASP N . 27324 1 302 . 1 1 91 91 VAL H H 1 8.111 . . . . . . . . 376 VAL HN . 27324 1 303 . 1 1 91 91 VAL CA C 13 62.110 . . . . . . . . 376 VAL CA . 27324 1 304 . 1 1 91 91 VAL CB C 13 33.018 . . . . . . . . 376 VAL CB . 27324 1 305 . 1 1 91 91 VAL N N 15 119.363 . . . . . . . . 376 VAL N . 27324 1 306 . 1 1 92 92 SER H H 1 8.498 . . . . . . . . 377 SER HN . 27324 1 307 . 1 1 92 92 SER CA C 13 58.621 . . . . . . . . 377 SER CA . 27324 1 308 . 1 1 92 92 SER CB C 13 64.220 . . . . . . . . 377 SER CB . 27324 1 309 . 1 1 92 92 SER N N 15 119.952 . . . . . . . . 377 SER N . 27324 1 310 . 1 1 93 93 VAL H H 1 7.816 . . . . . . . . 378 VAL HN . 27324 1 311 . 1 1 93 93 VAL CA C 13 63.897 . . . . . . . . 378 VAL CA . 27324 1 312 . 1 1 93 93 VAL CB C 13 33.459 . . . . . . . . 378 VAL CB . 27324 1 313 . 1 1 93 93 VAL N N 15 125.763 . . . . . . . . 378 VAL N . 27324 1 stop_ save_