data_27419 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27419 _Entry.Title ; Backbone 1H, 15N, 13C assignment of Human Myc S373E/T400E, N353 to A399. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-06 _Entry.Accession_date 2018-03-06 _Entry.Last_release_date 2018-03-06 _Entry.Original_release_date 2018-03-06 _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 Pavel Macek . . . . 27419 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27419 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 84 27419 '15N chemical shifts' 43 27419 '1H chemical shifts' 43 27419 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 . . 2018-11-13 2018-03-06 update BMRB 'update entry citation' 27419 1 . . 2018-04-11 2018-03-06 original author 'original release' 27419 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27414 'Human Myc N353 to A399' 27419 BMRB 27416 'Human Myc S373D/T400D, N353 to A399' 27419 BMRB 27418 'Human Myc S373D, N353 to A399' 27419 BMRB 27421 'Human Myc T400D, N353 to A399' 27419 BMRB 27422 'Human Myc, N353 to A399, phosphorylated by PAK2' 27419 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27419 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.RA118.002709 _Citation.PubMed_ID 29695509 _Citation.Full_citation . _Citation.Title ; Myc phosphorylation in its basic helix-loop-helix region destabilizes transient alpha-helical structures, disrupting Max and DNA binding ; _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 24 _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 9301 _Citation.Page_last 9310 _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 Pavel Macek P. . . . 27419 1 2 Matthew Cliff M. J. . . 27419 1 3 Kevin Embrey K. J. . . 27419 1 4 Geoffrey Holdgate G. A. . . 27419 1 5 'J Willem' Nissink . . . . 27419 1 6 Stanislava Panova S. . . . 27419 1 7 Jonathan Waltho J. P. . . 27419 1 8 Rick Davies R. A. . . 27419 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27419 _Assembly.ID 1 _Assembly.Name 'Human Myc S373E/T400E, N353 to A399' _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 'cMyc S373E/T400E' 1 $cMyc_S373E-T400E A . yes native no no . . . 27419 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cMyc_S373E-T400E _Entity.Sf_category entity _Entity.Sf_framecode cMyc_S373E-T400E _Entity.Entry_ID 27419 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cMyc_S373E-T400E _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 ; GSNVKRRTHNVLERQRRNEL KREFFALRDQIPELENNEKA PKVVILKKAEAYILSVQAEE QKLISEEDLLRKRREQLKHK LEQLRNS ; _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 87 _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 1 351 GLY . 27419 1 2 352 SER . 27419 1 3 353 ASN . 27419 1 4 354 VAL . 27419 1 5 355 LYS . 27419 1 6 356 ARG . 27419 1 7 357 ARG . 27419 1 8 358 THR . 27419 1 9 359 HIS . 27419 1 10 360 ASN . 27419 1 11 361 VAL . 27419 1 12 362 LEU . 27419 1 13 363 GLU . 27419 1 14 364 ARG . 27419 1 15 365 GLN . 27419 1 16 366 ARG . 27419 1 17 367 ARG . 27419 1 18 368 ASN . 27419 1 19 369 GLU . 27419 1 20 370 LEU . 27419 1 21 371 LYS . 27419 1 22 372 ARG . 27419 1 23 373 GLU . 27419 1 24 374 PHE . 27419 1 25 375 PHE . 27419 1 26 376 ALA . 27419 1 27 377 LEU . 27419 1 28 378 ARG . 27419 1 29 379 ASP . 27419 1 30 380 GLN . 27419 1 31 381 ILE . 27419 1 32 382 PRO . 27419 1 33 383 GLU . 27419 1 34 384 LEU . 27419 1 35 385 GLU . 27419 1 36 386 ASN . 27419 1 37 387 ASN . 27419 1 38 388 GLU . 27419 1 39 389 LYS . 27419 1 40 390 ALA . 27419 1 41 391 PRO . 27419 1 42 392 LYS . 27419 1 43 393 VAL . 27419 1 44 394 VAL . 27419 1 45 395 ILE . 27419 1 46 396 LEU . 27419 1 47 397 LYS . 27419 1 48 398 LYS . 27419 1 49 399 ALA . 27419 1 50 400 GLU . 27419 1 51 401 ALA . 27419 1 52 402 TYR . 27419 1 53 403 ILE . 27419 1 54 404 LEU . 27419 1 55 405 SER . 27419 1 56 406 VAL . 27419 1 57 407 GLN . 27419 1 58 408 ALA . 27419 1 59 409 GLU . 27419 1 60 410 GLU . 27419 1 61 411 GLN . 27419 1 62 412 LYS . 27419 1 63 413 LEU . 27419 1 64 414 ILE . 27419 1 65 415 SER . 27419 1 66 416 GLU . 27419 1 67 417 GLU . 27419 1 68 418 ASP . 27419 1 69 419 LEU . 27419 1 70 420 LEU . 27419 1 71 421 ARG . 27419 1 72 422 LYS . 27419 1 73 423 ARG . 27419 1 74 424 ARG . 27419 1 75 425 GLU . 27419 1 76 426 GLN . 27419 1 77 427 LEU . 27419 1 78 428 LYS . 27419 1 79 429 HIS . 27419 1 80 430 LYS . 27419 1 81 431 LEU . 27419 1 82 432 GLU . 27419 1 83 433 GLN . 27419 1 84 434 LEU . 27419 1 85 435 ARG . 27419 1 86 436 ASN . 27419 1 87 437 SER . 27419 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 27419 1 . SER 2 2 27419 1 . ASN 3 3 27419 1 . VAL 4 4 27419 1 . LYS 5 5 27419 1 . ARG 6 6 27419 1 . ARG 7 7 27419 1 . THR 8 8 27419 1 . HIS 9 9 27419 1 . ASN 10 10 27419 1 . VAL 11 11 27419 1 . LEU 12 12 27419 1 . GLU 13 13 27419 1 . ARG 14 14 27419 1 . GLN 15 15 27419 1 . ARG 16 16 27419 1 . ARG 17 17 27419 1 . ASN 18 18 27419 1 . GLU 19 19 27419 1 . LEU 20 20 27419 1 . LYS 21 21 27419 1 . ARG 22 22 27419 1 . GLU 23 23 27419 1 . PHE 24 24 27419 1 . PHE 25 25 27419 1 . ALA 26 26 27419 1 . LEU 27 27 27419 1 . ARG 28 28 27419 1 . ASP 29 29 27419 1 . GLN 30 30 27419 1 . ILE 31 31 27419 1 . PRO 32 32 27419 1 . GLU 33 33 27419 1 . LEU 34 34 27419 1 . GLU 35 35 27419 1 . ASN 36 36 27419 1 . ASN 37 37 27419 1 . GLU 38 38 27419 1 . LYS 39 39 27419 1 . ALA 40 40 27419 1 . PRO 41 41 27419 1 . LYS 42 42 27419 1 . VAL 43 43 27419 1 . VAL 44 44 27419 1 . ILE 45 45 27419 1 . LEU 46 46 27419 1 . LYS 47 47 27419 1 . LYS 48 48 27419 1 . ALA 49 49 27419 1 . GLU 50 50 27419 1 . ALA 51 51 27419 1 . TYR 52 52 27419 1 . ILE 53 53 27419 1 . LEU 54 54 27419 1 . SER 55 55 27419 1 . VAL 56 56 27419 1 . GLN 57 57 27419 1 . ALA 58 58 27419 1 . GLU 59 59 27419 1 . GLU 60 60 27419 1 . GLN 61 61 27419 1 . LYS 62 62 27419 1 . LEU 63 63 27419 1 . ILE 64 64 27419 1 . SER 65 65 27419 1 . GLU 66 66 27419 1 . GLU 67 67 27419 1 . ASP 68 68 27419 1 . LEU 69 69 27419 1 . LEU 70 70 27419 1 . ARG 71 71 27419 1 . LYS 72 72 27419 1 . ARG 73 73 27419 1 . ARG 74 74 27419 1 . GLU 75 75 27419 1 . GLN 76 76 27419 1 . LEU 77 77 27419 1 . LYS 78 78 27419 1 . HIS 79 79 27419 1 . LYS 80 80 27419 1 . LEU 81 81 27419 1 . GLU 82 82 27419 1 . GLN 83 83 27419 1 . LEU 84 84 27419 1 . ARG 85 85 27419 1 . ASN 86 86 27419 1 . SER 87 87 27419 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 27419 _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 $cMyc_S373E-T400E . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27419 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 27419 _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 $cMyc_S373E-T400E . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . . 27419 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27419 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'cMyc S373E/T400E' '[U-100% 13C; U-100% 15N]' . . 1 $cMyc_S373E-T400E . . 0.15 . . mM . . . . 27419 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27419 1 3 'ammonium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 27419 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27419 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27419 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 27419 _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' 550 . mM 27419 1 pH 6.5 . pH 27419 1 pressure 1 . atm 27419 1 temperature 273 . K 27419 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 27419 _Software.ID 1 _Software.Type . _Software.Name CCPNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27419 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27419 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 27419 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27419 _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 . 600 . . . 27419 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 27419 _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 . . . . . . . . . . . . . . . . 27419 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27419 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27419 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 27419 _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 C 13 TSP 'methyl protons' . . . . ppm 0 external indirect 0.2514495 . . . . . 27419 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . 27419 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect 0.101329 . . . . . 27419 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 27419 _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' . . . 27419 1 2 '3D HNCACB' . . . 27419 1 3 '3D CBCA(CO)NH' . . . 27419 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 2 2 SER CA C 13 59.136 0.020 . 1 . . . . . 352 SER CA . 27419 1 2 . 1 1 2 2 SER CB C 13 64.815 0.000 . 1 . . . . . 352 SER CB . 27419 1 3 . 1 1 3 3 ASN H H 1 8.748 0.002 . 1 . . . . . 353 ASN H . 27419 1 4 . 1 1 3 3 ASN CA C 13 54.258 0.015 . 1 . . . . . 353 ASN CA . 27419 1 5 . 1 1 3 3 ASN CB C 13 39.652 0.015 . 1 . . . . . 353 ASN CB . 27419 1 6 . 1 1 3 3 ASN N N 15 121.701 0.015 . 1 . . . . . 353 ASN N . 27419 1 7 . 1 1 4 4 VAL H H 1 8.168 0.003 . 1 . . . . . 354 VAL H . 27419 1 8 . 1 1 4 4 VAL CA C 13 63.589 0.014 . 1 . . . . . 354 VAL CA . 27419 1 9 . 1 1 4 4 VAL CB C 13 33.568 0.013 . 1 . . . . . 354 VAL CB . 27419 1 10 . 1 1 4 4 VAL N N 15 121.129 0.017 . 1 . . . . . 354 VAL N . 27419 1 11 . 1 1 5 5 LYS H H 1 8.474 0.004 . 1 . . . . . 355 LYS H . 27419 1 12 . 1 1 5 5 LYS CA C 13 57.310 0.005 . 1 . . . . . 355 LYS CA . 27419 1 13 . 1 1 5 5 LYS CB C 13 33.753 0.033 . 1 . . . . . 355 LYS CB . 27419 1 14 . 1 1 5 5 LYS N N 15 125.946 0.014 . 1 . . . . . 355 LYS N . 27419 1 15 . 1 1 6 6 ARG H H 1 8.427 0.004 . 1 . . . . . 356 ARG H . 27419 1 16 . 1 1 6 6 ARG CA C 13 57.123 0.047 . 1 . . . . . 356 ARG CA . 27419 1 17 . 1 1 6 6 ARG CB C 13 31.778 0.001 . 1 . . . . . 356 ARG CB . 27419 1 18 . 1 1 6 6 ARG N N 15 123.373 0.011 . 1 . . . . . 356 ARG N . 27419 1 19 . 1 1 7 7 ARG H H 1 8.554 0.004 . 1 . . . . . 357 ARG H . 27419 1 20 . 1 1 7 7 ARG CA C 13 57.179 0.010 . 1 . . . . . 357 ARG CA . 27419 1 21 . 1 1 7 7 ARG CB C 13 31.755 0.010 . 1 . . . . . 357 ARG CB . 27419 1 22 . 1 1 7 7 ARG N N 15 123.359 0.007 . 1 . . . . . 357 ARG N . 27419 1 23 . 1 1 8 8 THR H H 1 8.277 0.003 . 1 . . . . . 358 THR H . 27419 1 24 . 1 1 8 8 THR CA C 13 62.864 0.026 . 1 . . . . . 358 THR CA . 27419 1 25 . 1 1 8 8 THR CB C 13 70.805 0.009 . 1 . . . . . 358 THR CB . 27419 1 26 . 1 1 8 8 THR N N 15 115.570 0.011 . 1 . . . . . 358 THR N . 27419 1 27 . 1 1 9 9 HIS H H 1 8.527 0.004 . 1 . . . . . 359 HIS H . 27419 1 28 . 1 1 9 9 HIS CA C 13 57.176 0.048 . 1 . . . . . 359 HIS CA . 27419 1 29 . 1 1 9 9 HIS CB C 13 31.145 0.022 . 1 . . . . . 359 HIS CB . 27419 1 30 . 1 1 9 9 HIS N N 15 121.448 0.013 . 1 . . . . . 359 HIS N . 27419 1 31 . 1 1 10 10 ASN H H 1 8.597 0.003 . 1 . . . . . 360 ASN H . 27419 1 32 . 1 1 10 10 ASN CA C 13 54.455 0.023 . 1 . . . . . 360 ASN CA . 27419 1 33 . 1 1 10 10 ASN CB C 13 39.640 0.010 . 1 . . . . . 360 ASN CB . 27419 1 34 . 1 1 10 10 ASN N N 15 120.685 0.015 . 1 . . . . . 360 ASN N . 27419 1 35 . 1 1 11 11 VAL H H 1 8.248 0.003 . 1 . . . . . 361 VAL H . 27419 1 36 . 1 1 11 11 VAL CA C 13 64.937 0.016 . 1 . . . . . 361 VAL CA . 27419 1 37 . 1 1 11 11 VAL CB C 13 33.276 0.039 . 1 . . . . . 361 VAL CB . 27419 1 38 . 1 1 11 11 VAL N N 15 121.526 0.013 . 1 . . . . . 361 VAL N . 27419 1 39 . 1 1 12 12 LEU H H 1 8.249 0.003 . 1 . . . . . 362 LEU H . 27419 1 40 . 1 1 12 12 LEU CA C 13 57.126 0.005 . 1 . . . . . 362 LEU CA . 27419 1 41 . 1 1 12 12 LEU CB C 13 42.746 0.028 . 1 . . . . . 362 LEU CB . 27419 1 42 . 1 1 12 12 LEU N N 15 123.912 0.018 . 1 . . . . . 362 LEU N . 27419 1 43 . 1 1 13 13 GLU H H 1 8.303 0.004 . 1 . . . . . 363 GLU H . 27419 1 44 . 1 1 13 13 GLU CA C 13 58.547 0.024 . 1 . . . . . 363 GLU CA . 27419 1 45 . 1 1 13 13 GLU CB C 13 30.784 0.014 . 1 . . . . . 363 GLU CB . 27419 1 46 . 1 1 13 13 GLU N N 15 121.383 0.014 . 1 . . . . . 363 GLU N . 27419 1 47 . 1 1 14 14 ARG H H 1 8.242 0.003 . 1 . . . . . 364 ARG H . 27419 1 48 . 1 1 14 14 ARG CA C 13 58.640 0.038 . 1 . . . . . 364 ARG CA . 27419 1 49 . 1 1 14 14 ARG CB C 13 31.276 0.070 . 1 . . . . . 364 ARG CB . 27419 1 50 . 1 1 14 14 ARG N N 15 121.245 0.013 . 1 . . . . . 364 ARG N . 27419 1 51 . 1 1 15 15 GLN H H 1 8.308 0.002 . 1 . . . . . 365 GLN H . 27419 1 52 . 1 1 15 15 GLN CA C 13 58.153 0.101 . 1 . . . . . 365 GLN CA . 27419 1 53 . 1 1 15 15 GLN CB C 13 29.819 0.018 . 1 . . . . . 365 GLN CB . 27419 1 54 . 1 1 15 15 GLN N N 15 120.397 0.008 . 1 . . . . . 365 GLN N . 27419 1 55 . 1 1 16 16 ARG H H 1 8.309 0.004 . 1 . . . . . 366 ARG H . 27419 1 56 . 1 1 16 16 ARG CA C 13 58.301 0.021 . 1 . . . . . 366 ARG CA . 27419 1 57 . 1 1 16 16 ARG CB C 13 31.353 0.005 . 1 . . . . . 366 ARG CB . 27419 1 58 . 1 1 16 16 ARG N N 15 121.743 0.033 . 1 . . . . . 366 ARG N . 27419 1 59 . 1 1 17 17 ARG H H 1 8.326 0.003 . 1 . . . . . 367 ARG H . 27419 1 60 . 1 1 17 17 ARG CA C 13 58.560 0.035 . 1 . . . . . 367 ARG CA . 27419 1 61 . 1 1 17 17 ARG CB C 13 31.344 0.003 . 1 . . . . . 367 ARG CB . 27419 1 62 . 1 1 17 17 ARG N N 15 120.871 0.005 . 1 . . . . . 367 ARG N . 27419 1 63 . 1 1 18 18 ASN H H 1 8.406 0.003 . 1 . . . . . 368 ASN H . 27419 1 64 . 1 1 18 18 ASN CA C 13 55.178 0.032 . 1 . . . . . 368 ASN CA . 27419 1 65 . 1 1 18 18 ASN CB C 13 39.342 0.018 . 1 . . . . . 368 ASN CB . 27419 1 66 . 1 1 18 18 ASN N N 15 119.187 0.015 . 1 . . . . . 368 ASN N . 27419 1 67 . 1 1 19 19 GLU H H 1 8.319 0.007 . 1 . . . . . 369 GLU H . 27419 1 68 . 1 1 19 19 GLU CA C 13 58.497 0.026 . 1 . . . . . 369 GLU CA . 27419 1 69 . 1 1 19 19 GLU CB C 13 30.820 0.042 . 1 . . . . . 369 GLU CB . 27419 1 70 . 1 1 19 19 GLU N N 15 121.353 0.017 . 1 . . . . . 369 GLU N . 27419 1 71 . 1 1 20 20 LEU H H 1 8.112 0.003 . 1 . . . . . 370 LEU H . 27419 1 72 . 1 1 20 20 LEU CA C 13 56.911 0.011 . 1 . . . . . 370 LEU CA . 27419 1 73 . 1 1 20 20 LEU CB C 13 43.054 0.043 . 1 . . . . . 370 LEU CB . 27419 1 74 . 1 1 20 20 LEU N N 15 121.694 0.022 . 1 . . . . . 370 LEU N . 27419 1 75 . 1 1 21 21 LYS H H 1 8.113 0.003 . 1 . . . . . 371 LYS H . 27419 1 76 . 1 1 21 21 LYS CA C 13 58.056 0.002 . 1 . . . . . 371 LYS CA . 27419 1 77 . 1 1 21 21 LYS CB C 13 33.583 0.027 . 1 . . . . . 371 LYS CB . 27419 1 78 . 1 1 21 21 LYS N N 15 121.379 0.012 . 1 . . . . . 371 LYS N . 27419 1 79 . 1 1 22 22 ARG H H 1 8.202 0.003 . 1 . . . . . 372 ARG H . 27419 1 80 . 1 1 22 22 ARG CA C 13 58.090 0.007 . 1 . . . . . 372 ARG CA . 27419 1 81 . 1 1 22 22 ARG CB C 13 31.528 0.005 . 1 . . . . . 372 ARG CB . 27419 1 82 . 1 1 22 22 ARG N N 15 121.553 0.019 . 1 . . . . . 372 ARG N . 27419 1 83 . 1 1 23 23 GLU H H 1 8.390 0.004 . 1 . . . . . 373 GLU H . 27419 1 84 . 1 1 23 23 GLU CA C 13 58.165 0.029 . 1 . . . . . 373 GLU CA . 27419 1 85 . 1 1 23 23 GLU CB C 13 31.094 0.043 . 1 . . . . . 373 GLU CB . 27419 1 86 . 1 1 23 23 GLU N N 15 121.362 0.014 . 1 . . . . . 373 GLU N . 27419 1 87 . 1 1 24 24 PHE H H 1 8.195 0.003 . 1 . . . . . 374 PHE H . 27419 1 88 . 1 1 24 24 PHE CA C 13 59.550 0.025 . 1 . . . . . 374 PHE CA . 27419 1 89 . 1 1 24 24 PHE CB C 13 40.380 0.052 . 1 . . . . . 374 PHE CB . 27419 1 90 . 1 1 24 24 PHE N N 15 120.697 0.013 . 1 . . . . . 374 PHE N . 27419 1 91 . 1 1 25 25 PHE H H 1 8.141 0.004 . 1 . . . . . 375 PHE H . 27419 1 92 . 1 1 25 25 PHE CA C 13 59.232 0.056 . 1 . . . . . 375 PHE CA . 27419 1 93 . 1 1 25 25 PHE CB C 13 40.375 0.043 . 1 . . . . . 375 PHE CB . 27419 1 94 . 1 1 25 25 PHE N N 15 121.255 0.013 . 1 . . . . . 375 PHE N . 27419 1 95 . 1 1 26 26 ALA H H 1 8.161 0.003 . 1 . . . . . 376 ALA H . 27419 1 96 . 1 1 26 26 ALA CA C 13 53.793 0.056 . 1 . . . . . 376 ALA CA . 27419 1 97 . 1 1 26 26 ALA CB C 13 19.993 0.032 . 1 . . . . . 376 ALA CB . 27419 1 98 . 1 1 26 26 ALA N N 15 124.542 0.018 . 1 . . . . . 376 ALA N . 27419 1 99 . 1 1 27 27 LEU H H 1 8.068 0.004 . 1 . . . . . 377 LEU H . 27419 1 100 . 1 1 27 27 LEU CA C 13 56.538 0.018 . 1 . . . . . 377 LEU CA . 27419 1 101 . 1 1 27 27 LEU CB C 13 42.999 0.017 . 1 . . . . . 377 LEU CB . 27419 1 102 . 1 1 27 27 LEU N N 15 120.536 0.016 . 1 . . . . . 377 LEU N . 27419 1 103 . 1 1 28 28 ARG H H 1 8.132 0.005 . 1 . . . . . 378 ARG H . 27419 1 104 . 1 1 28 28 ARG CA C 13 57.517 0.013 . 1 . . . . . 378 ARG CA . 27419 1 105 . 1 1 28 28 ARG CB C 13 31.625 0.042 . 1 . . . . . 378 ARG CB . 27419 1 106 . 1 1 28 28 ARG N N 15 120.813 0.015 . 1 . . . . . 378 ARG N . 27419 1 107 . 1 1 29 29 ASP H H 1 8.280 0.003 . 1 . . . . . 379 ASP H . 27419 1 108 . 1 1 29 29 ASP CA C 13 55.572 0.004 . 1 . . . . . 379 ASP CA . 27419 1 109 . 1 1 29 29 ASP CB C 13 41.830 0.016 . 1 . . . . . 379 ASP CB . 27419 1 110 . 1 1 29 29 ASP N N 15 120.122 0.020 . 1 . . . . . 379 ASP N . 27419 1 111 . 1 1 30 30 GLN H H 1 8.142 0.003 . 1 . . . . . 380 GLN H . 27419 1 112 . 1 1 30 30 GLN CA C 13 56.500 0.013 . 1 . . . . . 380 GLN CA . 27419 1 113 . 1 1 30 30 GLN CB C 13 30.470 0.010 . 1 . . . . . 380 GLN CB . 27419 1 114 . 1 1 30 30 GLN N N 15 119.776 0.023 . 1 . . . . . 380 GLN N . 27419 1 115 . 1 1 31 31 ILE H H 1 8.314 0.004 . 1 . . . . . 381 ILE H . 27419 1 116 . 1 1 31 31 ILE CA C 13 59.912 0.000 . 1 . . . . . 381 ILE CA . 27419 1 117 . 1 1 31 31 ILE CB C 13 39.207 0.000 . 1 . . . . . 381 ILE CB . 27419 1 118 . 1 1 31 31 ILE N N 15 124.450 0.018 . 1 . . . . . 381 ILE N . 27419 1 119 . 1 1 32 32 PRO CA C 13 64.278 0.007 . 1 . . . . . 382 PRO CA . 27419 1 120 . 1 1 32 32 PRO CB C 13 33.135 0.010 . 1 . . . . . 382 PRO CB . 27419 1 121 . 1 1 33 33 GLU H H 1 8.573 0.004 . 1 . . . . . 383 GLU H . 27419 1 122 . 1 1 33 33 GLU CA C 13 57.531 0.022 . 1 . . . . . 383 GLU CA . 27419 1 123 . 1 1 33 33 GLU CB C 13 31.127 0.054 . 1 . . . . . 383 GLU CB . 27419 1 124 . 1 1 33 33 GLU N N 15 121.435 0.013 . 1 . . . . . 383 GLU N . 27419 1 125 . 1 1 34 34 LEU H H 1 8.350 0.004 . 1 . . . . . 384 LEU H . 27419 1 126 . 1 1 34 34 LEU CA C 13 56.103 0.004 . 1 . . . . . 384 LEU CA . 27419 1 127 . 1 1 34 34 LEU CB C 13 43.320 0.015 . 1 . . . . . 384 LEU CB . 27419 1 128 . 1 1 34 34 LEU N N 15 123.371 0.011 . 1 . . . . . 384 LEU N . 27419 1 129 . 1 1 35 35 GLU H H 1 8.483 0.004 . 1 . . . . . 385 GLU H . 27419 1 130 . 1 1 35 35 GLU CA C 13 57.470 0.005 . 1 . . . . . 385 GLU CA . 27419 1 131 . 1 1 35 35 GLU CB C 13 31.214 0.009 . 1 . . . . . 385 GLU CB . 27419 1 132 . 1 1 35 35 GLU N N 15 121.839 0.008 . 1 . . . . . 385 GLU N . 27419 1 133 . 1 1 36 36 ASN H H 1 8.561 0.004 . 1 . . . . . 386 ASN H . 27419 1 134 . 1 1 36 36 ASN CA C 13 54.247 0.014 . 1 . . . . . 386 ASN CA . 27419 1 135 . 1 1 36 36 ASN CB C 13 39.766 0.020 . 1 . . . . . 386 ASN CB . 27419 1 136 . 1 1 36 36 ASN N N 15 119.915 0.046 . 1 . . . . . 386 ASN N . 27419 1 137 . 1 1 37 37 ASN H H 1 8.559 0.004 . 1 . . . . . 387 ASN H . 27419 1 138 . 1 1 37 37 ASN CA C 13 54.294 0.024 . 1 . . . . . 387 ASN CA . 27419 1 139 . 1 1 37 37 ASN CB C 13 39.815 0.021 . 1 . . . . . 387 ASN CB . 27419 1 140 . 1 1 37 37 ASN N N 15 119.829 0.034 . 1 . . . . . 387 ASN N . 27419 1 141 . 1 1 38 38 GLU H H 1 8.411 0.004 . 1 . . . . . 388 GLU H . 27419 1 142 . 1 1 38 38 GLU CA C 13 57.856 0.011 . 1 . . . . . 388 GLU CA . 27419 1 143 . 1 1 38 38 GLU CB C 13 31.001 0.016 . 1 . . . . . 388 GLU CB . 27419 1 144 . 1 1 38 38 GLU N N 15 121.202 0.012 . 1 . . . . . 388 GLU N . 27419 1 145 . 1 1 39 39 LYS H H 1 8.311 0.003 . 1 . . . . . 389 LYS H . 27419 1 146 . 1 1 39 39 LYS CA C 13 56.864 0.005 . 1 . . . . . 389 LYS CA . 27419 1 147 . 1 1 39 39 LYS CB C 13 33.859 0.006 . 1 . . . . . 389 LYS CB . 27419 1 148 . 1 1 39 39 LYS N N 15 121.941 0.023 . 1 . . . . . 389 LYS N . 27419 1 149 . 1 1 40 40 ALA H H 1 8.286 0.002 . 1 . . . . . 390 ALA H . 27419 1 150 . 1 1 40 40 ALA CA C 13 51.482 0.000 . 1 . . . . . 390 ALA CA . 27419 1 151 . 1 1 40 40 ALA CB C 13 18.937 0.000 . 1 . . . . . 390 ALA CB . 27419 1 152 . 1 1 40 40 ALA N N 15 126.536 0.008 . 1 . . . . . 390 ALA N . 27419 1 153 . 1 1 41 41 PRO CA C 13 63.803 0.013 . 1 . . . . . 391 PRO CA . 27419 1 154 . 1 1 41 41 PRO CB C 13 33.111 0.000 . 1 . . . . . 391 PRO CB . 27419 1 155 . 1 1 42 42 LYS H H 1 8.497 0.004 . 1 . . . . . 392 LYS H . 27419 1 156 . 1 1 42 42 LYS CA C 13 57.437 0.035 . 1 . . . . . 392 LYS CA . 27419 1 157 . 1 1 42 42 LYS CB C 13 33.892 0.039 . 1 . . . . . 392 LYS CB . 27419 1 158 . 1 1 42 42 LYS N N 15 122.338 0.012 . 1 . . . . . 392 LYS N . 27419 1 159 . 1 1 43 43 VAL H H 1 8.296 0.004 . 1 . . . . . 393 VAL H . 27419 1 160 . 1 1 43 43 VAL CA C 13 63.418 0.013 . 1 . . . . . 393 VAL CA . 27419 1 161 . 1 1 43 43 VAL CB C 13 33.900 0.031 . 1 . . . . . 393 VAL CB . 27419 1 162 . 1 1 43 43 VAL N N 15 123.265 0.025 . 1 . . . . . 393 VAL N . 27419 1 163 . 1 1 44 44 VAL H H 1 8.405 0.008 . 1 . . . . . 394 VAL H . 27419 1 164 . 1 1 44 44 VAL N N 15 126.677 0.010 . 1 . . . . . 394 VAL N . 27419 1 165 . 1 1 45 45 ILE H H 1 8.435 0.007 . 1 . . . . . 395 ILE H . 27419 1 166 . 1 1 45 45 ILE N N 15 127.253 0.002 . 1 . . . . . 395 ILE N . 27419 1 167 . 1 1 46 46 LEU H H 1 8.474 0.007 . 1 . . . . . 396 LEU H . 27419 1 168 . 1 1 46 46 LEU N N 15 128.031 0.010 . 1 . . . . . 396 LEU N . 27419 1 169 . 1 1 49 49 ALA H H 1 8.466 0.000 . 1 . . . . . 399 ALA H . 27419 1 170 . 1 1 49 49 ALA N N 15 125.369 0.000 . 1 . . . . . 399 ALA N . 27419 1 stop_ save_