data_27418 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27418 _Entry.Title ; Backbone 1H, 15N, 13C assignment of Human Myc S373D, 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 . . . . 27418 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27418 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 92 27418 '15N chemical shifts' 43 27418 '1H chemical shifts' 43 27418 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' 27418 1 . . 2018-04-11 2018-03-06 original author 'original release' 27418 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' 27418 BMRB 27416 'Human Myc S373D/T400D, N353 to A399' 27418 BMRB 27419 'Human Myc S373E/T400E, N353 to A399' 27418 BMRB 27421 'Human Myc T400D, N353 to A399' 27418 BMRB 27422 'Human Myc, N353 to A399, phosphorylated by PAK2' 27418 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27418 _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. . . . 27418 1 2 Matthew Cliff M. J. . . 27418 1 3 Kevin Embrey K. J. . . 27418 1 4 Geoffrey Holdgate G. A. . . 27418 1 5 'J Willem' Nissink . . . . 27418 1 6 Stanislava Panova S. . . . 27418 1 7 Jonathan Waltho J. P. . . 27418 1 8 Rick Davies R. A. . . 27418 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27418 _Assembly.ID 1 _Assembly.Name 'Human Myc S373D, 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 S373D' 1 $cMyc_S373D A . yes native no no . . . 27418 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cMyc_S373D _Entity.Sf_category entity _Entity.Sf_framecode cMyc_S373D _Entity.Entry_ID 27418 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cMyc_S373D _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 KRDFFALRDQIPELENNEKA PKVVILKKATAYILSVQAEE 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 . 27418 1 2 352 SER . 27418 1 3 353 ASN . 27418 1 4 354 VAL . 27418 1 5 355 LYS . 27418 1 6 356 ARG . 27418 1 7 357 ARG . 27418 1 8 358 THR . 27418 1 9 359 HIS . 27418 1 10 360 ASN . 27418 1 11 361 VAL . 27418 1 12 362 LEU . 27418 1 13 363 GLU . 27418 1 14 364 ARG . 27418 1 15 365 GLN . 27418 1 16 366 ARG . 27418 1 17 367 ARG . 27418 1 18 368 ASN . 27418 1 19 369 GLU . 27418 1 20 370 LEU . 27418 1 21 371 LYS . 27418 1 22 372 ARG . 27418 1 23 373 ASP . 27418 1 24 374 PHE . 27418 1 25 375 PHE . 27418 1 26 376 ALA . 27418 1 27 377 LEU . 27418 1 28 378 ARG . 27418 1 29 379 ASP . 27418 1 30 380 GLN . 27418 1 31 381 ILE . 27418 1 32 382 PRO . 27418 1 33 383 GLU . 27418 1 34 384 LEU . 27418 1 35 385 GLU . 27418 1 36 386 ASN . 27418 1 37 387 ASN . 27418 1 38 388 GLU . 27418 1 39 389 LYS . 27418 1 40 390 ALA . 27418 1 41 391 PRO . 27418 1 42 392 LYS . 27418 1 43 393 VAL . 27418 1 44 394 VAL . 27418 1 45 395 ILE . 27418 1 46 396 LEU . 27418 1 47 397 LYS . 27418 1 48 398 LYS . 27418 1 49 399 ALA . 27418 1 50 400 THR . 27418 1 51 401 ALA . 27418 1 52 402 TYR . 27418 1 53 403 ILE . 27418 1 54 404 LEU . 27418 1 55 405 SER . 27418 1 56 406 VAL . 27418 1 57 407 GLN . 27418 1 58 408 ALA . 27418 1 59 409 GLU . 27418 1 60 410 GLU . 27418 1 61 411 GLN . 27418 1 62 412 LYS . 27418 1 63 413 LEU . 27418 1 64 414 ILE . 27418 1 65 415 SER . 27418 1 66 416 GLU . 27418 1 67 417 GLU . 27418 1 68 418 ASP . 27418 1 69 419 LEU . 27418 1 70 420 LEU . 27418 1 71 421 ARG . 27418 1 72 422 LYS . 27418 1 73 423 ARG . 27418 1 74 424 ARG . 27418 1 75 425 GLU . 27418 1 76 426 GLN . 27418 1 77 427 LEU . 27418 1 78 428 LYS . 27418 1 79 429 HIS . 27418 1 80 430 LYS . 27418 1 81 431 LEU . 27418 1 82 432 GLU . 27418 1 83 433 GLN . 27418 1 84 434 LEU . 27418 1 85 435 ARG . 27418 1 86 436 ASN . 27418 1 87 437 SER . 27418 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 27418 1 . SER 2 2 27418 1 . ASN 3 3 27418 1 . VAL 4 4 27418 1 . LYS 5 5 27418 1 . ARG 6 6 27418 1 . ARG 7 7 27418 1 . THR 8 8 27418 1 . HIS 9 9 27418 1 . ASN 10 10 27418 1 . VAL 11 11 27418 1 . LEU 12 12 27418 1 . GLU 13 13 27418 1 . ARG 14 14 27418 1 . GLN 15 15 27418 1 . ARG 16 16 27418 1 . ARG 17 17 27418 1 . ASN 18 18 27418 1 . GLU 19 19 27418 1 . LEU 20 20 27418 1 . LYS 21 21 27418 1 . ARG 22 22 27418 1 . ASP 23 23 27418 1 . PHE 24 24 27418 1 . PHE 25 25 27418 1 . ALA 26 26 27418 1 . LEU 27 27 27418 1 . ARG 28 28 27418 1 . ASP 29 29 27418 1 . GLN 30 30 27418 1 . ILE 31 31 27418 1 . PRO 32 32 27418 1 . GLU 33 33 27418 1 . LEU 34 34 27418 1 . GLU 35 35 27418 1 . ASN 36 36 27418 1 . ASN 37 37 27418 1 . GLU 38 38 27418 1 . LYS 39 39 27418 1 . ALA 40 40 27418 1 . PRO 41 41 27418 1 . LYS 42 42 27418 1 . VAL 43 43 27418 1 . VAL 44 44 27418 1 . ILE 45 45 27418 1 . LEU 46 46 27418 1 . LYS 47 47 27418 1 . LYS 48 48 27418 1 . ALA 49 49 27418 1 . THR 50 50 27418 1 . ALA 51 51 27418 1 . TYR 52 52 27418 1 . ILE 53 53 27418 1 . LEU 54 54 27418 1 . SER 55 55 27418 1 . VAL 56 56 27418 1 . GLN 57 57 27418 1 . ALA 58 58 27418 1 . GLU 59 59 27418 1 . GLU 60 60 27418 1 . GLN 61 61 27418 1 . LYS 62 62 27418 1 . LEU 63 63 27418 1 . ILE 64 64 27418 1 . SER 65 65 27418 1 . GLU 66 66 27418 1 . GLU 67 67 27418 1 . ASP 68 68 27418 1 . LEU 69 69 27418 1 . LEU 70 70 27418 1 . ARG 71 71 27418 1 . LYS 72 72 27418 1 . ARG 73 73 27418 1 . ARG 74 74 27418 1 . GLU 75 75 27418 1 . GLN 76 76 27418 1 . LEU 77 77 27418 1 . LYS 78 78 27418 1 . HIS 79 79 27418 1 . LYS 80 80 27418 1 . LEU 81 81 27418 1 . GLU 82 82 27418 1 . GLN 83 83 27418 1 . LEU 84 84 27418 1 . ARG 85 85 27418 1 . ASN 86 86 27418 1 . SER 87 87 27418 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 27418 _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_S373D . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27418 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 27418 _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_S373D . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . . 27418 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27418 _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 S373D' '[U-100% 13C; U-100% 15N]' . . 1 $cMyc_S373D . . 0.15 . . mM . . . . 27418 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27418 1 3 'ammonium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 27418 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27418 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27418 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 27418 _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 27418 1 pH 6.5 . pH 27418 1 pressure 1 . atm 27418 1 temperature 273 . K 27418 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 27418 _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 . . 27418 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27418 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 27418 _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 27418 _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 . . . 27418 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 27418 _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 . . . . . . . . . . . . . . . . 27418 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27418 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27418 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 27418 _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 . . . . . 27418 1 H 1 TSP 'methyl protons' . . . . ppm 0 external indirect 1.0 . . . . . 27418 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect 0.101329 . . . . . 27418 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 27418 _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' . . . 27418 1 2 '3D HNCACB' . . . 27418 1 3 '3D CBCA(CO)NH' . . . 27418 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 59.154 0.003 . 1 . . . . . 352 SER CA . 27418 1 2 . 1 1 2 2 SER CB C 13 64.811 0.004 . 1 . . . . . 352 SER CB . 27418 1 3 . 1 1 3 3 ASN H H 1 8.752 0.001 . 1 . . . . . 353 ASN H . 27418 1 4 . 1 1 3 3 ASN CA C 13 54.265 0.011 . 1 . . . . . 353 ASN CA . 27418 1 5 . 1 1 3 3 ASN CB C 13 39.673 0.029 . 1 . . . . . 353 ASN CB . 27418 1 6 . 1 1 3 3 ASN N N 15 121.724 0.010 . 1 . . . . . 353 ASN N . 27418 1 7 . 1 1 4 4 VAL H H 1 8.173 0.001 . 1 . . . . . 354 VAL H . 27418 1 8 . 1 1 4 4 VAL CA C 13 63.583 0.011 . 1 . . . . . 354 VAL CA . 27418 1 9 . 1 1 4 4 VAL CB C 13 33.568 0.003 . 1 . . . . . 354 VAL CB . 27418 1 10 . 1 1 4 4 VAL N N 15 121.130 0.010 . 1 . . . . . 354 VAL N . 27418 1 11 . 1 1 5 5 LYS H H 1 8.479 0.002 . 1 . . . . . 355 LYS H . 27418 1 12 . 1 1 5 5 LYS CA C 13 57.313 0.014 . 1 . . . . . 355 LYS CA . 27418 1 13 . 1 1 5 5 LYS CB C 13 33.756 0.022 . 1 . . . . . 355 LYS CB . 27418 1 14 . 1 1 5 5 LYS N N 15 125.962 0.006 . 1 . . . . . 355 LYS N . 27418 1 15 . 1 1 6 6 ARG H H 1 8.429 0.001 . 1 . . . . . 356 ARG H . 27418 1 16 . 1 1 6 6 ARG CA C 13 57.122 0.050 . 1 . . . . . 356 ARG CA . 27418 1 17 . 1 1 6 6 ARG CB C 13 31.787 0.013 . 1 . . . . . 356 ARG CB . 27418 1 18 . 1 1 6 6 ARG N N 15 123.393 0.011 . 1 . . . . . 356 ARG N . 27418 1 19 . 1 1 7 7 ARG H H 1 8.556 0.000 . 1 . . . . . 357 ARG H . 27418 1 20 . 1 1 7 7 ARG CA C 13 57.165 0.015 . 1 . . . . . 357 ARG CA . 27418 1 21 . 1 1 7 7 ARG CB C 13 31.742 0.005 . 1 . . . . . 357 ARG CB . 27418 1 22 . 1 1 7 7 ARG N N 15 123.372 0.008 . 1 . . . . . 357 ARG N . 27418 1 23 . 1 1 8 8 THR H H 1 8.279 0.001 . 1 . . . . . 358 THR H . 27418 1 24 . 1 1 8 8 THR CA C 13 62.870 0.024 . 1 . . . . . 358 THR CA . 27418 1 25 . 1 1 8 8 THR CB C 13 70.827 0.002 . 1 . . . . . 358 THR CB . 27418 1 26 . 1 1 8 8 THR N N 15 115.553 0.007 . 1 . . . . . 358 THR N . 27418 1 27 . 1 1 9 9 HIS H H 1 8.559 0.002 . 1 . . . . . 359 HIS H . 27418 1 28 . 1 1 9 9 HIS CA C 13 57.021 0.018 . 1 . . . . . 359 HIS CA . 27418 1 29 . 1 1 9 9 HIS CB C 13 30.902 0.034 . 1 . . . . . 359 HIS CB . 27418 1 30 . 1 1 9 9 HIS N N 15 121.277 0.016 . 1 . . . . . 359 HIS N . 27418 1 31 . 1 1 10 10 ASN H H 1 8.611 0.001 . 1 . . . . . 360 ASN H . 27418 1 32 . 1 1 10 10 ASN CA C 13 54.476 0.013 . 1 . . . . . 360 ASN CA . 27418 1 33 . 1 1 10 10 ASN CB C 13 39.665 0.024 . 1 . . . . . 360 ASN CB . 27418 1 34 . 1 1 10 10 ASN N N 15 120.740 0.010 . 1 . . . . . 360 ASN N . 27418 1 35 . 1 1 11 11 VAL H H 1 8.260 0.001 . 1 . . . . . 361 VAL H . 27418 1 36 . 1 1 11 11 VAL CA C 13 64.767 0.015 . 1 . . . . . 361 VAL CA . 27418 1 37 . 1 1 11 11 VAL CB C 13 33.301 0.017 . 1 . . . . . 361 VAL CB . 27418 1 38 . 1 1 11 11 VAL N N 15 121.511 0.010 . 1 . . . . . 361 VAL N . 27418 1 39 . 1 1 12 12 LEU H H 1 8.272 0.001 . 1 . . . . . 362 LEU H . 27418 1 40 . 1 1 12 12 LEU CA C 13 57.000 0.016 . 1 . . . . . 362 LEU CA . 27418 1 41 . 1 1 12 12 LEU CB C 13 42.774 0.068 . 1 . . . . . 362 LEU CB . 27418 1 42 . 1 1 12 12 LEU N N 15 124.141 0.008 . 1 . . . . . 362 LEU N . 27418 1 43 . 1 1 13 13 GLU H H 1 8.311 0.003 . 1 . . . . . 363 GLU H . 27418 1 44 . 1 1 13 13 GLU CA C 13 58.417 0.018 . 1 . . . . . 363 GLU CA . 27418 1 45 . 1 1 13 13 GLU CB C 13 30.828 0.006 . 1 . . . . . 363 GLU CB . 27418 1 46 . 1 1 13 13 GLU N N 15 121.437 0.031 . 1 . . . . . 363 GLU N . 27418 1 47 . 1 1 14 14 ARG H H 1 8.259 0.001 . 1 . . . . . 364 ARG H . 27418 1 48 . 1 1 14 14 ARG CA C 13 58.435 0.001 . 1 . . . . . 364 ARG CA . 27418 1 49 . 1 1 14 14 ARG CB C 13 31.312 0.091 . 1 . . . . . 364 ARG CB . 27418 1 50 . 1 1 14 14 ARG N N 15 121.340 0.011 . 1 . . . . . 364 ARG N . 27418 1 51 . 1 1 15 15 GLN H H 1 8.328 0.001 . 1 . . . . . 365 GLN H . 27418 1 52 . 1 1 15 15 GLN CA C 13 57.998 0.000 . 1 . . . . . 365 GLN CA . 27418 1 53 . 1 1 15 15 GLN CB C 13 29.910 0.002 . 1 . . . . . 365 GLN CB . 27418 1 54 . 1 1 15 15 GLN N N 15 120.589 0.010 . 1 . . . . . 365 GLN N . 27418 1 55 . 1 1 16 16 ARG H H 1 8.331 0.001 . 1 . . . . . 366 ARG H . 27418 1 56 . 1 1 16 16 ARG CA C 13 58.015 0.000 . 1 . . . . . 366 ARG CA . 27418 1 57 . 1 1 16 16 ARG CB C 13 31.457 0.074 . 1 . . . . . 366 ARG CB . 27418 1 58 . 1 1 16 16 ARG N N 15 121.888 0.060 . 1 . . . . . 366 ARG N . 27418 1 59 . 1 1 17 17 ARG H H 1 8.339 0.004 . 1 . . . . . 367 ARG H . 27418 1 60 . 1 1 17 17 ARG CA C 13 58.332 0.075 . 1 . . . . . 367 ARG CA . 27418 1 61 . 1 1 17 17 ARG CB C 13 31.239 0.162 . 1 . . . . . 367 ARG CB . 27418 1 62 . 1 1 17 17 ARG N N 15 121.099 0.079 . 1 . . . . . 367 ARG N . 27418 1 63 . 1 1 18 18 ASN H H 1 8.421 0.001 . 1 . . . . . 368 ASN H . 27418 1 64 . 1 1 18 18 ASN CA C 13 54.990 0.010 . 1 . . . . . 368 ASN CA . 27418 1 65 . 1 1 18 18 ASN CB C 13 39.388 0.021 . 1 . . . . . 368 ASN CB . 27418 1 66 . 1 1 18 18 ASN N N 15 119.246 0.013 . 1 . . . . . 368 ASN N . 27418 1 67 . 1 1 19 19 GLU H H 1 8.334 0.001 . 1 . . . . . 369 GLU H . 27418 1 68 . 1 1 19 19 GLU CA C 13 58.233 0.002 . 1 . . . . . 369 GLU CA . 27418 1 69 . 1 1 19 19 GLU CB C 13 30.981 0.096 . 1 . . . . . 369 GLU CB . 27418 1 70 . 1 1 19 19 GLU N N 15 121.202 0.028 . 1 . . . . . 369 GLU N . 27418 1 71 . 1 1 20 20 LEU H H 1 8.104 0.002 . 1 . . . . . 370 LEU H . 27418 1 72 . 1 1 20 20 LEU CA C 13 56.613 0.015 . 1 . . . . . 370 LEU CA . 27418 1 73 . 1 1 20 20 LEU CB C 13 43.072 0.009 . 1 . . . . . 370 LEU CB . 27418 1 74 . 1 1 20 20 LEU N N 15 121.707 0.010 . 1 . . . . . 370 LEU N . 27418 1 75 . 1 1 21 21 LYS H H 1 8.133 0.001 . 1 . . . . . 371 LYS H . 27418 1 76 . 1 1 21 21 LYS CA C 13 57.725 0.000 . 1 . . . . . 371 LYS CA . 27418 1 77 . 1 1 21 21 LYS CB C 13 33.627 0.007 . 1 . . . . . 371 LYS CB . 27418 1 78 . 1 1 21 21 LYS N N 15 121.547 0.007 . 1 . . . . . 371 LYS N . 27418 1 79 . 1 1 22 22 ARG H H 1 8.242 0.001 . 1 . . . . . 372 ARG H . 27418 1 80 . 1 1 22 22 ARG CA C 13 57.641 0.000 . 1 . . . . . 372 ARG CA . 27418 1 81 . 1 1 22 22 ARG CB C 13 31.684 0.000 . 1 . . . . . 372 ARG CB . 27418 1 82 . 1 1 22 22 ARG N N 15 121.889 0.009 . 1 . . . . . 372 ARG N . 27418 1 83 . 1 1 23 23 ASP H H 1 8.348 0.000 . 1 . . . . . 373 ASP H . 27418 1 84 . 1 1 23 23 ASP CA C 13 55.338 0.020 . 1 . . . . . 373 ASP CA . 27418 1 85 . 1 1 23 23 ASP CB C 13 41.852 0.029 . 1 . . . . . 373 ASP CB . 27418 1 86 . 1 1 23 23 ASP N N 15 120.976 0.009 . 1 . . . . . 373 ASP N . 27418 1 87 . 1 1 24 24 PHE H H 1 8.158 0.002 . 1 . . . . . 374 PHE H . 27418 1 88 . 1 1 24 24 PHE CA C 13 59.925 0.016 . 1 . . . . . 374 PHE CA . 27418 1 89 . 1 1 24 24 PHE CB C 13 40.354 0.028 . 1 . . . . . 374 PHE CB . 27418 1 90 . 1 1 24 24 PHE N N 15 121.056 0.013 . 1 . . . . . 374 PHE N . 27418 1 91 . 1 1 25 25 PHE H H 1 8.170 0.001 . 1 . . . . . 375 PHE H . 27418 1 92 . 1 1 25 25 PHE CA C 13 59.279 0.022 . 1 . . . . . 375 PHE CA . 27418 1 93 . 1 1 25 25 PHE CB C 13 40.178 0.032 . 1 . . . . . 375 PHE CB . 27418 1 94 . 1 1 25 25 PHE N N 15 120.589 0.008 . 1 . . . . . 375 PHE N . 27418 1 95 . 1 1 26 26 ALA H H 1 8.022 0.003 . 1 . . . . . 376 ALA H . 27418 1 96 . 1 1 26 26 ALA CA C 13 53.845 0.005 . 1 . . . . . 376 ALA CA . 27418 1 97 . 1 1 26 26 ALA CB C 13 20.023 0.024 . 1 . . . . . 376 ALA CB . 27418 1 98 . 1 1 26 26 ALA N N 15 124.410 0.024 . 1 . . . . . 376 ALA N . 27418 1 99 . 1 1 27 27 LEU H H 1 8.082 0.001 . 1 . . . . . 377 LEU H . 27418 1 100 . 1 1 27 27 LEU CA C 13 56.458 0.034 . 1 . . . . . 377 LEU CA . 27418 1 101 . 1 1 27 27 LEU CB C 13 42.963 0.031 . 1 . . . . . 377 LEU CB . 27418 1 102 . 1 1 27 27 LEU N N 15 120.457 0.011 . 1 . . . . . 377 LEU N . 27418 1 103 . 1 1 28 28 ARG H H 1 8.140 0.002 . 1 . . . . . 378 ARG H . 27418 1 104 . 1 1 28 28 ARG CA C 13 57.489 0.010 . 1 . . . . . 378 ARG CA . 27418 1 105 . 1 1 28 28 ARG CB C 13 31.600 0.016 . 1 . . . . . 378 ARG CB . 27418 1 106 . 1 1 28 28 ARG N N 15 120.912 0.021 . 1 . . . . . 378 ARG N . 27418 1 107 . 1 1 29 29 ASP H H 1 8.303 0.001 . 1 . . . . . 379 ASP H . 27418 1 108 . 1 1 29 29 ASP CA C 13 55.538 0.007 . 1 . . . . . 379 ASP CA . 27418 1 109 . 1 1 29 29 ASP CB C 13 41.871 0.035 . 1 . . . . . 379 ASP CB . 27418 1 110 . 1 1 29 29 ASP N N 15 120.221 0.017 . 1 . . . . . 379 ASP N . 27418 1 111 . 1 1 30 30 GLN H H 1 8.167 0.001 . 1 . . . . . 380 GLN H . 27418 1 112 . 1 1 30 30 GLN CA C 13 56.490 0.010 . 1 . . . . . 380 GLN CA . 27418 1 113 . 1 1 30 30 GLN CB C 13 30.437 0.021 . 1 . . . . . 380 GLN CB . 27418 1 114 . 1 1 30 30 GLN N N 15 119.847 0.011 . 1 . . . . . 380 GLN N . 27418 1 115 . 1 1 31 31 ILE H H 1 8.334 0.001 . 1 . . . . . 381 ILE H . 27418 1 116 . 1 1 31 31 ILE CA C 13 59.920 0.000 . 1 . . . . . 381 ILE CA . 27418 1 117 . 1 1 31 31 ILE CB C 13 39.206 0.000 . 1 . . . . . 381 ILE CB . 27418 1 118 . 1 1 31 31 ILE N N 15 124.524 0.010 . 1 . . . . . 381 ILE N . 27418 1 119 . 1 1 32 32 PRO CA C 13 64.271 0.003 . 1 . . . . . 382 PRO CA . 27418 1 120 . 1 1 32 32 PRO CB C 13 33.125 0.012 . 1 . . . . . 382 PRO CB . 27418 1 121 . 1 1 33 33 GLU H H 1 8.582 0.002 . 1 . . . . . 383 GLU H . 27418 1 122 . 1 1 33 33 GLU CA C 13 57.517 0.013 . 1 . . . . . 383 GLU CA . 27418 1 123 . 1 1 33 33 GLU CB C 13 31.113 0.011 . 1 . . . . . 383 GLU CB . 27418 1 124 . 1 1 33 33 GLU N N 15 121.486 0.015 . 1 . . . . . 383 GLU N . 27418 1 125 . 1 1 34 34 LEU H H 1 8.359 0.001 . 1 . . . . . 384 LEU H . 27418 1 126 . 1 1 34 34 LEU CA C 13 56.090 0.003 . 1 . . . . . 384 LEU CA . 27418 1 127 . 1 1 34 34 LEU CB C 13 43.343 0.023 . 1 . . . . . 384 LEU CB . 27418 1 128 . 1 1 34 34 LEU N N 15 123.412 0.013 . 1 . . . . . 384 LEU N . 27418 1 129 . 1 1 35 35 GLU H H 1 8.490 0.000 . 1 . . . . . 385 GLU H . 27418 1 130 . 1 1 35 35 GLU CA C 13 57.467 0.005 . 1 . . . . . 385 GLU CA . 27418 1 131 . 1 1 35 35 GLU CB C 13 31.221 0.010 . 1 . . . . . 385 GLU CB . 27418 1 132 . 1 1 35 35 GLU N N 15 121.873 0.010 . 1 . . . . . 385 GLU N . 27418 1 133 . 1 1 36 36 ASN H H 1 8.568 0.001 . 1 . . . . . 386 ASN H . 27418 1 134 . 1 1 36 36 ASN CA C 13 54.242 0.022 . 1 . . . . . 386 ASN CA . 27418 1 135 . 1 1 36 36 ASN CB C 13 39.777 0.023 . 1 . . . . . 386 ASN CB . 27418 1 136 . 1 1 36 36 ASN N N 15 119.942 0.047 . 1 . . . . . 386 ASN N . 27418 1 137 . 1 1 37 37 ASN H H 1 8.566 0.001 . 1 . . . . . 387 ASN H . 27418 1 138 . 1 1 37 37 ASN CA C 13 54.280 0.012 . 1 . . . . . 387 ASN CA . 27418 1 139 . 1 1 37 37 ASN CB C 13 39.848 0.038 . 1 . . . . . 387 ASN CB . 27418 1 140 . 1 1 37 37 ASN N N 15 119.856 0.042 . 1 . . . . . 387 ASN N . 27418 1 141 . 1 1 38 38 GLU H H 1 8.416 0.001 . 1 . . . . . 388 GLU H . 27418 1 142 . 1 1 38 38 GLU CA C 13 57.771 0.008 . 1 . . . . . 388 GLU CA . 27418 1 143 . 1 1 38 38 GLU CB C 13 30.994 0.002 . 1 . . . . . 388 GLU CB . 27418 1 144 . 1 1 38 38 GLU N N 15 121.226 0.008 . 1 . . . . . 388 GLU N . 27418 1 145 . 1 1 39 39 LYS H H 1 8.320 0.002 . 1 . . . . . 389 LYS H . 27418 1 146 . 1 1 39 39 LYS CA C 13 56.866 0.012 . 1 . . . . . 389 LYS CA . 27418 1 147 . 1 1 39 39 LYS CB C 13 33.882 0.013 . 1 . . . . . 389 LYS CB . 27418 1 148 . 1 1 39 39 LYS N N 15 122.014 0.016 . 1 . . . . . 389 LYS N . 27418 1 149 . 1 1 40 40 ALA H H 1 8.298 0.001 . 1 . . . . . 390 ALA H . 27418 1 150 . 1 1 40 40 ALA CA C 13 51.469 0.000 . 1 . . . . . 390 ALA CA . 27418 1 151 . 1 1 40 40 ALA CB C 13 18.952 0.000 . 1 . . . . . 390 ALA CB . 27418 1 152 . 1 1 40 40 ALA N N 15 126.594 0.009 . 1 . . . . . 390 ALA N . 27418 1 153 . 1 1 41 41 PRO CA C 13 63.775 0.020 . 1 . . . . . 391 PRO CA . 27418 1 154 . 1 1 41 41 PRO CB C 13 33.086 0.000 . 1 . . . . . 391 PRO CB . 27418 1 155 . 1 1 42 42 LYS H H 1 8.499 0.000 . 1 . . . . . 392 LYS H . 27418 1 156 . 1 1 42 42 LYS CA C 13 57.327 0.008 . 1 . . . . . 392 LYS CA . 27418 1 157 . 1 1 42 42 LYS CB C 13 33.899 0.032 . 1 . . . . . 392 LYS CB . 27418 1 158 . 1 1 42 42 LYS N N 15 122.411 0.009 . 1 . . . . . 392 LYS N . 27418 1 159 . 1 1 43 43 VAL H H 1 8.312 0.003 . 1 . . . . . 393 VAL H . 27418 1 160 . 1 1 43 43 VAL CA C 13 63.357 0.003 . 1 . . . . . 393 VAL CA . 27418 1 161 . 1 1 43 43 VAL CB C 13 33.770 0.044 . 1 . . . . . 393 VAL CB . 27418 1 162 . 1 1 43 43 VAL N N 15 123.437 0.004 . 1 . . . . . 393 VAL N . 27418 1 163 . 1 1 44 44 VAL H H 1 8.432 0.002 . 1 . . . . . 394 VAL H . 27418 1 164 . 1 1 44 44 VAL CA C 13 63.310 0.001 . 1 . . . . . 394 VAL CA . 27418 1 165 . 1 1 44 44 VAL CB C 13 33.800 0.034 . 1 . . . . . 394 VAL CB . 27418 1 166 . 1 1 44 44 VAL N N 15 126.852 0.005 . 1 . . . . . 394 VAL N . 27418 1 167 . 1 1 45 45 ILE H H 1 8.462 0.002 . 1 . . . . . 395 ILE H . 27418 1 168 . 1 1 45 45 ILE CA C 13 61.569 0.012 . 1 . . . . . 395 ILE CA . 27418 1 169 . 1 1 45 45 ILE CB C 13 39.242 0.050 . 1 . . . . . 395 ILE CB . 27418 1 170 . 1 1 45 45 ILE N N 15 127.467 0.009 . 1 . . . . . 395 ILE N . 27418 1 171 . 1 1 46 46 LEU H H 1 8.491 0.002 . 1 . . . . . 396 LEU H . 27418 1 172 . 1 1 46 46 LEU CA C 13 55.857 0.009 . 1 . . . . . 396 LEU CA . 27418 1 173 . 1 1 46 46 LEU CB C 13 43.219 0.016 . 1 . . . . . 396 LEU CB . 27418 1 174 . 1 1 46 46 LEU N N 15 128.300 0.039 . 1 . . . . . 396 LEU N . 27418 1 175 . 1 1 47 47 LYS H H 1 8.415 0.006 . 1 . . . . . 397 LYS H . 27418 1 176 . 1 1 47 47 LYS CA C 13 57.172 0.000 . 1 . . . . . 397 LYS CA . 27418 1 177 . 1 1 47 47 LYS CB C 13 33.938 0.000 . 1 . . . . . 397 LYS CB . 27418 1 178 . 1 1 47 47 LYS N N 15 123.550 0.058 . 1 . . . . . 397 LYS N . 27418 1 stop_ save_