data_27701 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27701 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Myc bHLH-LZ domain in presence of 3.2 M GdmCl ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-11-24 _Entry.Accession_date 2018-11-24 _Entry.Last_release_date 2018-11-26 _Entry.Original_release_date 2018-11-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Stanislava Panova . V. . . 27701 2 Matthew Cliff . J. . . 27701 3 Pavel Macek . . . . 27701 4 Martin Blackledge . . . . 27701 5 Malene Jensen . Ringkjobing . . 27701 6 'J. Willem' Nissink . M. . . 27701 7 Kevin Embrey . J. . . 27701 8 Rick Davies . . . . 27701 9 Jonathan Waltho . P. . . 27701 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Waltho Group; Manchester Institute of Biotechnology' . 27701 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27701 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 255 27701 '15N chemical shifts' 84 27701 '1H chemical shifts' 84 27701 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-10-02 2018-11-24 update BMRB 'update entry citation' 27701 1 . . 2019-08-15 2018-11-24 original author 'original release' 27701 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27702 'bHLHZip domain of Myc (in presence of 2.4 M GdmCl)' 27701 BMRB 27703 'bHLHZip domain of Myc (in presence of 1.6 M GdmCl)' 27701 BMRB 27704 'bHLHZip domain of Myc' 27701 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27701 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31402220 _Citation.Full_citation . _Citation.Title ; Mapping Hidden Residual Structure within the Myc bHLH-LZ Domain Using Chemical Denaturant Titration ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 27 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _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 1537 _Citation.Page_last 1546 _Citation.Year 2019 _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 Stanislava Panova . V. . . 27701 1 2 Matthew Cliff . J. . . 27701 1 3 Pavel Macek . . . . 27701 1 4 Martin Blackledge . . . . 27701 1 5 Malene Jensen . Ringkjobing . . 27701 1 6 'J. Willem' Nissink . M. . . 27701 1 7 Kevin Embrey . J. . . 27701 1 8 Rick Davies . . . . 27701 1 9 Jonathan Waltho . P. . . 27701 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID IDP 27701 1 'chemical denaturation' 27701 1 'disordered protein' 27701 1 'protein unfolding' 27701 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27701 _Assembly.ID 1 _Assembly.Name 'bHLHZip domain of Myc' _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 'bHLHZip domain of Myc' 1 $bHLHZip_domain_of_Myc A . yes denatured no no . . . 27701 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_bHLHZip_domain_of_Myc _Entity.Sf_category entity _Entity.Sf_framecode bHLHZip_domain_of_Myc _Entity.Entry_ID 27701 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name bHLHZip_domain_of_Myc _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 KRSFFALRDQIPELENNEKA 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 'bHLHZip domain' _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 . 27701 1 2 352 SER . 27701 1 3 353 ASN . 27701 1 4 354 VAL . 27701 1 5 355 LYS . 27701 1 6 356 ARG . 27701 1 7 357 ARG . 27701 1 8 358 THR . 27701 1 9 359 HIS . 27701 1 10 360 ASN . 27701 1 11 361 VAL . 27701 1 12 362 LEU . 27701 1 13 363 GLU . 27701 1 14 364 ARG . 27701 1 15 365 GLN . 27701 1 16 366 ARG . 27701 1 17 367 ARG . 27701 1 18 368 ASN . 27701 1 19 369 GLU . 27701 1 20 370 LEU . 27701 1 21 371 LYS . 27701 1 22 372 ARG . 27701 1 23 373 SER . 27701 1 24 374 PHE . 27701 1 25 375 PHE . 27701 1 26 376 ALA . 27701 1 27 377 LEU . 27701 1 28 378 ARG . 27701 1 29 379 ASP . 27701 1 30 380 GLN . 27701 1 31 381 ILE . 27701 1 32 382 PRO . 27701 1 33 383 GLU . 27701 1 34 384 LEU . 27701 1 35 385 GLU . 27701 1 36 386 ASN . 27701 1 37 387 ASN . 27701 1 38 388 GLU . 27701 1 39 389 LYS . 27701 1 40 390 ALA . 27701 1 41 391 PRO . 27701 1 42 392 LYS . 27701 1 43 393 VAL . 27701 1 44 394 VAL . 27701 1 45 395 ILE . 27701 1 46 396 LEU . 27701 1 47 397 LYS . 27701 1 48 398 LYS . 27701 1 49 399 ALA . 27701 1 50 400 THR . 27701 1 51 401 ALA . 27701 1 52 402 TYR . 27701 1 53 403 ILE . 27701 1 54 404 LEU . 27701 1 55 405 SER . 27701 1 56 406 VAL . 27701 1 57 407 GLN . 27701 1 58 408 ALA . 27701 1 59 409 GLU . 27701 1 60 410 GLU . 27701 1 61 411 GLN . 27701 1 62 412 LYS . 27701 1 63 413 LEU . 27701 1 64 414 ILE . 27701 1 65 415 SER . 27701 1 66 416 GLU . 27701 1 67 417 GLU . 27701 1 68 418 ASP . 27701 1 69 419 LEU . 27701 1 70 420 LEU . 27701 1 71 421 ARG . 27701 1 72 422 LYS . 27701 1 73 423 ARG . 27701 1 74 424 ARG . 27701 1 75 425 GLU . 27701 1 76 426 GLN . 27701 1 77 427 LEU . 27701 1 78 428 LYS . 27701 1 79 429 HIS . 27701 1 80 430 LYS . 27701 1 81 431 LEU . 27701 1 82 432 GLU . 27701 1 83 433 GLN . 27701 1 84 434 LEU . 27701 1 85 435 ARG . 27701 1 86 436 ASN . 27701 1 87 437 SER . 27701 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 27701 1 . SER 2 2 27701 1 . ASN 3 3 27701 1 . VAL 4 4 27701 1 . LYS 5 5 27701 1 . ARG 6 6 27701 1 . ARG 7 7 27701 1 . THR 8 8 27701 1 . HIS 9 9 27701 1 . ASN 10 10 27701 1 . VAL 11 11 27701 1 . LEU 12 12 27701 1 . GLU 13 13 27701 1 . ARG 14 14 27701 1 . GLN 15 15 27701 1 . ARG 16 16 27701 1 . ARG 17 17 27701 1 . ASN 18 18 27701 1 . GLU 19 19 27701 1 . LEU 20 20 27701 1 . LYS 21 21 27701 1 . ARG 22 22 27701 1 . SER 23 23 27701 1 . PHE 24 24 27701 1 . PHE 25 25 27701 1 . ALA 26 26 27701 1 . LEU 27 27 27701 1 . ARG 28 28 27701 1 . ASP 29 29 27701 1 . GLN 30 30 27701 1 . ILE 31 31 27701 1 . PRO 32 32 27701 1 . GLU 33 33 27701 1 . LEU 34 34 27701 1 . GLU 35 35 27701 1 . ASN 36 36 27701 1 . ASN 37 37 27701 1 . GLU 38 38 27701 1 . LYS 39 39 27701 1 . ALA 40 40 27701 1 . PRO 41 41 27701 1 . LYS 42 42 27701 1 . VAL 43 43 27701 1 . VAL 44 44 27701 1 . ILE 45 45 27701 1 . LEU 46 46 27701 1 . LYS 47 47 27701 1 . LYS 48 48 27701 1 . ALA 49 49 27701 1 . THR 50 50 27701 1 . ALA 51 51 27701 1 . TYR 52 52 27701 1 . ILE 53 53 27701 1 . LEU 54 54 27701 1 . SER 55 55 27701 1 . VAL 56 56 27701 1 . GLN 57 57 27701 1 . ALA 58 58 27701 1 . GLU 59 59 27701 1 . GLU 60 60 27701 1 . GLN 61 61 27701 1 . LYS 62 62 27701 1 . LEU 63 63 27701 1 . ILE 64 64 27701 1 . SER 65 65 27701 1 . GLU 66 66 27701 1 . GLU 67 67 27701 1 . ASP 68 68 27701 1 . LEU 69 69 27701 1 . LEU 70 70 27701 1 . ARG 71 71 27701 1 . LYS 72 72 27701 1 . ARG 73 73 27701 1 . ARG 74 74 27701 1 . GLU 75 75 27701 1 . GLN 76 76 27701 1 . LEU 77 77 27701 1 . LYS 78 78 27701 1 . HIS 79 79 27701 1 . LYS 80 80 27701 1 . LEU 81 81 27701 1 . GLU 82 82 27701 1 . GLN 83 83 27701 1 . LEU 84 84 27701 1 . ARG 85 85 27701 1 . ASN 86 86 27701 1 . SER 87 87 27701 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 27701 _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 $bHLHZip_domain_of_Myc . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27701 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 27701 _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 $bHLHZip_domain_of_Myc . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pET . . . 27701 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27701 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '3.2 M GdmCl was added to achieve protein denaturation' _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 'bHLHZip domain of Myc' '[U-13C; U-15N]' . . 1 $bHLHZip_domain_of_Myc . . 1 . . mM 0.1 . . . 27701 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 2 . . . 27701 1 3 TSP 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 27701 1 4 GdmCl 'natural abundance' . . . . . . 3.2 . . M 0.1 . . . 27701 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 27701 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 3.2 0.05 M 27701 1 pH 6.5 0.1 pH 27701 1 pressure 1 . atm 27701 1 temperature 278 . K 27701 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 27701 _Software.ID 1 _Software.Type . _Software.Name CCPNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27701 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27701 1 . 'data analysis' 27701 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 27701 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 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 27701 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27701 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 27701 _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 . . . . . . . . . . . . . . . . 27701 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27701 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27701 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27701 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27701 1 6 (H)N(CA)NNH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27701 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 27701 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 27701 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27701 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 27701 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 27701 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 27701 1 2 '3D HNCO' . . . 27701 1 3 '3D HNCA' . . . 27701 1 4 '3D HNCACB' . . . 27701 1 5 '3D CBCA(CO)NH' . . . 27701 1 6 (H)N(CA)NNH . . . 27701 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CCPNMR . . 27701 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 H H 1 8.768 0.003 . 1 . . . . . 352 SER H . 27701 1 2 . 1 1 2 2 SER C C 13 174.405 0.6 . 1 . . . . . 352 SER C . 27701 1 3 . 1 1 2 2 SER CA C 13 58.59 0.6 . 1 . . . . . 352 SER CA . 27701 1 4 . 1 1 2 2 SER CB C 13 64.264 0.6 . 1 . . . . . 352 SER CB . 27701 1 5 . 1 1 2 2 SER N N 15 116.199 0.13 . 1 . . . . . 352 SER N . 27701 1 6 . 1 1 3 3 ASN H H 1 8.745 0.006 . 1 . . . . . 353 ASN H . 27701 1 7 . 1 1 3 3 ASN C C 13 175.25 0.6 . 1 . . . . . 353 ASN C . 27701 1 8 . 1 1 3 3 ASN CA C 13 53.534 0.6 . 1 . . . . . 353 ASN CA . 27701 1 9 . 1 1 3 3 ASN CB C 13 39.076 0.6 . 1 . . . . . 353 ASN CB . 27701 1 10 . 1 1 3 3 ASN N N 15 121.959 0.09 . 1 . . . . . 353 ASN N . 27701 1 11 . 1 1 4 4 VAL H H 1 8.153 0.006 . 1 . . . . . 354 VAL H . 27701 1 12 . 1 1 4 4 VAL C C 13 176.255 0.6 . 1 . . . . . 354 VAL C . 27701 1 13 . 1 1 4 4 VAL CA C 13 62.722 0.6 . 1 . . . . . 354 VAL CA . 27701 1 14 . 1 1 4 4 VAL CB C 13 32.892 0.6 . 1 . . . . . 354 VAL CB . 27701 1 15 . 1 1 4 4 VAL N N 15 120.866 0.05 . 1 . . . . . 354 VAL N . 27701 1 16 . 1 1 5 5 LYS H H 1 8.484 0.006 . 1 . . . . . 355 LYS H . 27701 1 17 . 1 1 5 5 LYS C C 13 176.659 0.6 . 1 . . . . . 355 LYS C . 27701 1 18 . 1 1 5 5 LYS CA C 13 56.4 0.6 . 1 . . . . . 355 LYS CA . 27701 1 19 . 1 1 5 5 LYS CB C 13 33.481 0.6 . 1 . . . . . 355 LYS CB . 27701 1 20 . 1 1 5 5 LYS N N 15 126.315 0.1 . 1 . . . . . 355 LYS N . 27701 1 21 . 1 1 6 6 ARG H H 1 8.474 0.007 . 1 . . . . . 356 ARG H . 27701 1 22 . 1 1 6 6 ARG C C 13 176.462 0.6 . 1 . . . . . 356 ARG C . 27701 1 23 . 1 1 6 6 ARG CA C 13 56.299 0.6 . 1 . . . . . 356 ARG CA . 27701 1 24 . 1 1 6 6 ARG CB C 13 31.092 0.6 . 1 . . . . . 356 ARG CB . 27701 1 25 . 1 1 6 6 ARG N N 15 123.868 0.13 . 1 . . . . . 356 ARG N . 27701 1 26 . 1 1 7 7 ARG H H 1 8.583 0.004 . 1 . . . . . 357 ARG H . 27701 1 27 . 1 1 7 7 ARG C C 13 176.629 0.6 . 1 . . . . . 357 ARG C . 27701 1 28 . 1 1 7 7 ARG CA C 13 56.315 0.6 . 1 . . . . . 357 ARG CA . 27701 1 29 . 1 1 7 7 ARG CB C 13 31.051 0.6 . 1 . . . . . 357 ARG CB . 27701 1 30 . 1 1 7 7 ARG N N 15 123.757 0.08 . 1 . . . . . 357 ARG N . 27701 1 31 . 1 1 8 8 THR H H 1 8.303 0.005 . 1 . . . . . 358 THR H . 27701 1 32 . 1 1 8 8 THR C C 13 174.426 0.6 . 1 . . . . . 358 THR C . 27701 1 33 . 1 1 8 8 THR CA C 13 61.943 0.6 . 1 . . . . . 358 THR CA . 27701 1 34 . 1 1 8 8 THR CB C 13 70.164 0.6 . 1 . . . . . 358 THR CB . 27701 1 35 . 1 1 8 8 THR N N 15 115.727 0.05 . 1 . . . . . 358 THR N . 27701 1 36 . 1 1 9 9 HIS H H 1 8.602 0.053 . 1 . . . . . 359 HIS H . 27701 1 37 . 1 1 9 9 HIS C C 13 174.711 0.6 . 1 . . . . . 359 HIS C . 27701 1 38 . 1 1 9 9 HIS CA C 13 56.088 0.6 . 1 . . . . . 359 HIS CA . 27701 1 39 . 1 1 9 9 HIS CB C 13 30.314 0.6 . 1 . . . . . 359 HIS CB . 27701 1 40 . 1 1 9 9 HIS N N 15 121.065 0.31 . 1 . . . . . 359 HIS N . 27701 1 41 . 1 1 10 10 ASN H H 1 8.654 0.029 . 1 . . . . . 360 ASN H . 27701 1 42 . 1 1 10 10 ASN C C 13 175.252 0.6 . 1 . . . . . 360 ASN C . 27701 1 43 . 1 1 10 10 ASN CA C 13 53.514 0.6 . 1 . . . . . 360 ASN CA . 27701 1 44 . 1 1 10 10 ASN CB C 13 39.16 0.6 . 1 . . . . . 360 ASN CB . 27701 1 45 . 1 1 10 10 ASN N N 15 121.278 0.15 . 1 . . . . . 360 ASN N . 27701 1 46 . 1 1 11 11 VAL H H 1 8.293 0.007 . 1 . . . . . 361 VAL H . 27701 1 47 . 1 1 11 11 VAL C C 13 176.316 0.6 . 1 . . . . . 361 VAL C . 27701 1 48 . 1 1 11 11 VAL CA C 13 62.902 0.6 . 1 . . . . . 361 VAL CA . 27701 1 49 . 1 1 11 11 VAL CB C 13 32.831 0.6 . 1 . . . . . 361 VAL CB . 27701 1 50 . 1 1 11 11 VAL N N 15 121.402 0.08 . 1 . . . . . 361 VAL N . 27701 1 51 . 1 1 12 12 LEU H H 1 8.397 0.009 . 1 . . . . . 362 LEU H . 27701 1 52 . 1 1 12 12 LEU C C 13 177.643 0.6 . 1 . . . . . 362 LEU C . 27701 1 53 . 1 1 12 12 LEU CA C 13 55.517 0.6 . 1 . . . . . 362 LEU CA . 27701 1 54 . 1 1 12 12 LEU CB C 13 42.266 0.6 . 1 . . . . . 362 LEU CB . 27701 1 55 . 1 1 12 12 LEU N N 15 125.972 0.23 . 1 . . . . . 362 LEU N . 27701 1 56 . 1 1 13 13 GLU H H 1 8.459 0.003 . 1 . . . . . 363 GLU H . 27701 1 57 . 1 1 13 13 GLU C C 13 176.798 0.6 . 1 . . . . . 363 GLU C . 27701 1 58 . 1 1 13 13 GLU CA C 13 57.111 0.6 . 1 . . . . . 363 GLU CA . 27701 1 59 . 1 1 13 13 GLU CB C 13 30.274 0.6 . 1 . . . . . 363 GLU CB . 27701 1 60 . 1 1 13 13 GLU N N 15 122.635 0.17 . 1 . . . . . 363 GLU N . 27701 1 61 . 1 1 14 14 ARG H H 1 8.446 0.012 . 1 . . . . . 364 ARG H . 27701 1 62 . 1 1 14 14 ARG C C 13 176.682 0.6 . 1 . . . . . 364 ARG C . 27701 1 63 . 1 1 14 14 ARG CA C 13 56.898 0.6 . 1 . . . . . 364 ARG CA . 27701 1 64 . 1 1 14 14 ARG CB C 13 30.834 0.6 . 1 . . . . . 364 ARG CB . 27701 1 65 . 1 1 14 14 ARG N N 15 122.635 0.17 . 1 . . . . . 364 ARG N . 27701 1 66 . 1 1 15 15 GLN H H 1 8.53 0.006 . 1 . . . . . 365 GLN H . 27701 1 67 . 1 1 15 15 GLN C C 13 176.376 0.6 . 1 . . . . . 365 GLN C . 27701 1 68 . 1 1 15 15 GLN CA C 13 56.271 0.6 . 1 . . . . . 365 GLN CA . 27701 1 69 . 1 1 15 15 GLN CB C 13 29.627 0.6 . 1 . . . . . 365 GLN CB . 27701 1 70 . 1 1 15 15 GLN N N 15 122.214 0.18 . 1 . . . . . 365 GLN N . 27701 1 71 . 1 1 16 16 ARG H H 1 8.526 0.007 . 1 . . . . . 366 ARG H . 27701 1 72 . 1 1 16 16 ARG C C 13 176.759 0.6 . 1 . . . . . 366 ARG C . 27701 1 73 . 1 1 16 16 ARG CA C 13 56.61 0.6 . 1 . . . . . 366 ARG CA . 27701 1 74 . 1 1 16 16 ARG CB C 13 30.915 0.6 . 1 . . . . . 366 ARG CB . 27701 1 75 . 1 1 16 16 ARG N N 15 123.38 0.19 . 1 . . . . . 366 ARG N . 27701 1 76 . 1 1 17 17 ARG H H 1 8.532 0.004 . 1 . . . . . 367 ARG H . 27701 1 77 . 1 1 17 17 ARG C C 13 176.416 0.6 . 1 . . . . . 367 ARG C . 27701 1 78 . 1 1 17 17 ARG CA C 13 56.853 0.6 . 1 . . . . . 367 ARG CA . 27701 1 79 . 1 1 17 17 ARG CB C 13 30.73 0.6 . 1 . . . . . 367 ARG CB . 27701 1 80 . 1 1 17 17 ARG N N 15 122.745 0.2 . 1 . . . . . 367 ARG N . 27701 1 81 . 1 1 18 18 ASN H H 1 8.562 0.003 . 1 . . . . . 368 ASN H . 27701 1 82 . 1 1 18 18 ASN C C 13 175.386 0.6 . 1 . . . . . 368 ASN C . 27701 1 83 . 1 1 18 18 ASN CA C 13 53.649 0.6 . 1 . . . . . 368 ASN CA . 27701 1 84 . 1 1 18 18 ASN CB C 13 39.053 0.6 . 1 . . . . . 368 ASN CB . 27701 1 85 . 1 1 18 18 ASN N N 15 120.262 0.15 . 1 . . . . . 368 ASN N . 27701 1 86 . 1 1 19 19 GLU H H 1 8.47 0.002 . 1 . . . . . 369 GLU H . 27701 1 87 . 1 1 19 19 GLU C C 13 176.627 0.6 . 1 . . . . . 369 GLU C . 27701 1 88 . 1 1 19 19 GLU CA C 13 56.93 0.6 . 1 . . . . . 369 GLU CA . 27701 1 89 . 1 1 19 19 GLU CB C 13 30.353 0.6 . 1 . . . . . 369 GLU CB . 27701 1 90 . 1 1 19 19 GLU N N 15 121.871 0.16 . 1 . . . . . 369 GLU N . 27701 1 91 . 1 1 20 20 LEU H H 1 8.336 0.012 . 1 . . . . . 370 LEU H . 27701 1 92 . 1 1 20 20 LEU C C 13 177.595 0.6 . 1 . . . . . 370 LEU C . 27701 1 93 . 1 1 20 20 LEU CA C 13 55.53 0.6 . 1 . . . . . 370 LEU CA . 27701 1 94 . 1 1 20 20 LEU CB C 13 42.35 0.6 . 1 . . . . . 370 LEU CB . 27701 1 95 . 1 1 20 20 LEU N N 15 123.457 0.18 . 1 . . . . . 370 LEU N . 27701 1 96 . 1 1 21 21 LYS H H 1 8.376 0.012 . 1 . . . . . 371 LYS H . 27701 1 97 . 1 1 21 21 LYS C C 13 176.816 0.6 . 1 . . . . . 371 LYS C . 27701 1 98 . 1 1 21 21 LYS CA C 13 56.61 0.6 . 1 . . . . . 371 LYS CA . 27701 1 99 . 1 1 21 21 LYS CB C 13 33.147 0.6 . 1 . . . . . 371 LYS CB . 27701 1 100 . 1 1 21 21 LYS N N 15 123.157 0.2 . 1 . . . . . 371 LYS N . 27701 1 101 . 1 1 22 22 ARG H H 1 8.45 0.006 . 1 . . . . . 372 ARG H . 27701 1 102 . 1 1 22 22 ARG C C 13 176.463 0.6 . 1 . . . . . 372 ARG C . 27701 1 103 . 1 1 22 22 ARG CA C 13 56.449 0.6 . 1 . . . . . 372 ARG CA . 27701 1 104 . 1 1 22 22 ARG CB C 13 31.043 0.6 . 1 . . . . . 372 ARG CB . 27701 1 105 . 1 1 22 22 ARG N N 15 123.086 0.16 . 1 . . . . . 372 ARG N . 27701 1 106 . 1 1 23 23 SER H H 1 8.41 0.004 . 1 . . . . . 373 SER H . 27701 1 107 . 1 1 23 23 SER C C 13 174.314 0.6 . 1 . . . . . 373 SER C . 27701 1 108 . 1 1 23 23 SER CA C 13 58.627 0.6 . 1 . . . . . 373 SER CA . 27701 1 109 . 1 1 23 23 SER CB C 13 64.2 0.6 . 1 . . . . . 373 SER CB . 27701 1 110 . 1 1 23 23 SER N N 15 117.677 0.16 . 1 . . . . . 373 SER N . 27701 1 111 . 1 1 24 24 PHE H H 1 8.389 0.012 . 1 . . . . . 374 PHE H . 27701 1 112 . 1 1 24 24 PHE C C 13 175.623 0.6 . 1 . . . . . 374 PHE C . 27701 1 113 . 1 1 24 24 PHE CA C 13 58.749 0.6 . 1 . . . . . 374 PHE CA . 27701 1 114 . 1 1 24 24 PHE CB C 13 39.933 0.6 . 1 . . . . . 374 PHE CB . 27701 1 115 . 1 1 24 24 PHE N N 15 123.352 0.19 . 1 . . . . . 374 PHE N . 27701 1 116 . 1 1 25 25 PHE H H 1 8.176 0.001 . 1 . . . . . 375 PHE H . 27701 1 117 . 1 1 25 25 PHE C C 13 175.415 0.6 . 1 . . . . . 375 PHE C . 27701 1 118 . 1 1 25 25 PHE CA C 13 57.661 0.6 . 1 . . . . . 375 PHE CA . 27701 1 119 . 1 1 25 25 PHE CB C 13 39.897 0.6 . 1 . . . . . 375 PHE CB . 27701 1 120 . 1 1 25 25 PHE N N 15 121.61 0.11 . 1 . . . . . 375 PHE N . 27701 1 121 . 1 1 26 26 ALA H H 1 8.274 0.007 . 1 . . . . . 376 ALA H . 27701 1 122 . 1 1 26 26 ALA C C 13 177.689 0.6 . 1 . . . . . 376 ALA C . 27701 1 123 . 1 1 26 26 ALA CA C 13 52.706 0.6 . 1 . . . . . 376 ALA CA . 27701 1 124 . 1 1 26 26 ALA CB C 13 19.653 0.6 . 1 . . . . . 376 ALA CB . 27701 1 125 . 1 1 26 26 ALA N N 15 125.79 0.12 . 1 . . . . . 376 ALA N . 27701 1 126 . 1 1 27 27 LEU H H 1 8.274 0.004 . 1 . . . . . 377 LEU H . 27701 1 127 . 1 1 27 27 LEU C C 13 177.859 0.6 . 1 . . . . . 377 LEU C . 27701 1 128 . 1 1 27 27 LEU CA C 13 55.707 0.6 . 1 . . . . . 377 LEU CA . 27701 1 129 . 1 1 27 27 LEU CB C 13 42.341 0.6 . 1 . . . . . 377 LEU CB . 27701 1 130 . 1 1 27 27 LEU N N 15 122.215 0.17 . 1 . . . . . 377 LEU N . 27701 1 131 . 1 1 28 28 ARG H H 1 8.367 0.009 . 1 . . . . . 378 ARG H . 27701 1 132 . 1 1 28 28 ARG C C 13 176.276 0.6 . 1 . . . . . 378 ARG C . 27701 1 133 . 1 1 28 28 ARG CA C 13 56.444 0.6 . 1 . . . . . 378 ARG CA . 27701 1 134 . 1 1 28 28 ARG CB C 13 30.929 0.6 . 1 . . . . . 378 ARG CB . 27701 1 135 . 1 1 28 28 ARG N N 15 121.538 0.14 . 1 . . . . . 378 ARG N . 27701 1 136 . 1 1 29 29 ASP H H 1 8.431 0.006 . 1 . . . . . 379 ASP H . 27701 1 137 . 1 1 29 29 ASP C C 13 176.095 0.6 . 1 . . . . . 379 ASP C . 27701 1 138 . 1 1 29 29 ASP CA C 13 54.782 0.6 . 1 . . . . . 379 ASP CA . 27701 1 139 . 1 1 29 29 ASP CB C 13 41.324 0.6 . 1 . . . . . 379 ASP CB . 27701 1 140 . 1 1 29 29 ASP N N 15 121.497 0.17 . 1 . . . . . 379 ASP N . 27701 1 141 . 1 1 30 30 GLN H H 1 8.339 0.01 . 1 . . . . . 380 GLN H . 27701 1 142 . 1 1 30 30 GLN C C 13 175.769 0.6 . 1 . . . . . 380 GLN C . 27701 1 143 . 1 1 30 30 GLN CA C 13 56.023 0.6 . 1 . . . . . 380 GLN CA . 27701 1 144 . 1 1 30 30 GLN CB C 13 29.76 0.6 . 1 . . . . . 380 GLN CB . 27701 1 145 . 1 1 30 30 GLN N N 15 120.695 0.14 . 1 . . . . . 380 GLN N . 27701 1 146 . 1 1 31 31 ILE H H 1 8.367 0.006 . 1 . . . . . 381 ILE H . 27701 1 147 . 1 1 31 31 ILE C C 13 174.532 0.6 . 1 . . . . . 381 ILE C . 27701 1 148 . 1 1 31 31 ILE CA C 13 59.136 0.6 . 1 . . . . . 381 ILE CA . 27701 1 149 . 1 1 31 31 ILE CB C 13 37.826 0.6 . 1 . . . . . 381 ILE CB . 27701 1 150 . 1 1 31 31 ILE N N 15 124.357 0.03 . 1 . . . . . 381 ILE N . 27701 1 151 . 1 1 32 32 PRO C C 13 177.028 0.6 . 1 . . . . . 382 PRO C . 27701 1 152 . 1 1 32 32 PRO CA C 13 63.543 0.6 . 1 . . . . . 382 PRO CA . 27701 1 153 . 1 1 32 32 PRO CB C 13 32.47 0.6 . 1 . . . . . 382 PRO CB . 27701 1 154 . 1 1 33 33 GLU H H 1 8.637 0.005 . 1 . . . . . 383 GLU H . 27701 1 155 . 1 1 33 33 GLU C C 13 176.7 0.6 . 1 . . . . . 383 GLU C . 27701 1 156 . 1 1 33 33 GLU CA C 13 56.908 0.6 . 1 . . . . . 383 GLU CA . 27701 1 157 . 1 1 33 33 GLU CB C 13 30.271 0.6 . 1 . . . . . 383 GLU CB . 27701 1 158 . 1 1 33 33 GLU N N 15 122.168 0.13 . 1 . . . . . 383 GLU N . 27701 1 159 . 1 1 34 34 LEU H H 1 8.392 0.004 . 1 . . . . . 384 LEU H . 27701 1 160 . 1 1 34 34 LEU C C 13 177.548 0.6 . 1 . . . . . 384 LEU C . 27701 1 161 . 1 1 34 34 LEU CA C 13 55.476 0.6 . 1 . . . . . 384 LEU CA . 27701 1 162 . 1 1 34 34 LEU CB C 13 42.383 0.6 . 1 . . . . . 384 LEU CB . 27701 1 163 . 1 1 34 34 LEU N N 15 123.53 0.1 . 1 . . . . . 384 LEU N . 27701 1 164 . 1 1 35 35 GLU H H 1 8.562 0 . 1 . . . . . 385 GLU H . 27701 1 165 . 1 1 35 35 GLU C C 13 176.359 0.6 . 1 . . . . . 385 GLU C . 27701 1 166 . 1 1 35 35 GLU CA C 13 56.626 0.6 . 1 . . . . . 385 GLU CA . 27701 1 167 . 1 1 35 35 GLU CB C 13 30.507 0.6 . 1 . . . . . 385 GLU CB . 27701 1 168 . 1 1 35 35 GLU N N 15 122.115 0.09 . 1 . . . . . 385 GLU N . 27701 1 169 . 1 1 36 36 ASN H H 1 8.601 0.004 . 1 . . . . . 386 ASN H . 27701 1 170 . 1 1 36 36 ASN C C 13 175.155 0.6 . 1 . . . . . 386 ASN C . 27701 1 171 . 1 1 36 36 ASN CA C 13 53.52 0.6 . 1 . . . . . 386 ASN CA . 27701 1 172 . 1 1 36 36 ASN CB C 13 39.055 0.6 . 1 . . . . . 386 ASN CB . 27701 1 173 . 1 1 36 36 ASN N N 15 120.299 0.09 . 1 . . . . . 386 ASN N . 27701 1 174 . 1 1 37 37 ASN H H 1 8.579 0.006 . 1 . . . . . 387 ASN H . 27701 1 175 . 1 1 37 37 ASN C C 13 175.35 0.6 . 1 . . . . . 387 ASN C . 27701 1 176 . 1 1 37 37 ASN CA C 13 53.36 0.6 . 1 . . . . . 387 ASN CA . 27701 1 177 . 1 1 37 37 ASN CB C 13 39.184 0.6 . 1 . . . . . 387 ASN CB . 27701 1 178 . 1 1 37 37 ASN N N 15 120.054 0.08 . 1 . . . . . 387 ASN N . 27701 1 179 . 1 1 38 38 GLU H H 1 8.434 0.001 . 1 . . . . . 388 GLU H . 27701 1 180 . 1 1 38 38 GLU C C 13 176.552 0.6 . 1 . . . . . 388 GLU C . 27701 1 181 . 1 1 38 38 GLU CA C 13 56.875 0.6 . 1 . . . . . 388 GLU CA . 27701 1 182 . 1 1 38 38 GLU CB C 13 30.323 0.6 . 1 . . . . . 388 GLU CB . 27701 1 183 . 1 1 38 38 GLU N N 15 121.502 0.11 . 1 . . . . . 388 GLU N . 27701 1 184 . 1 1 39 39 LYS H H 1 8.399 0.003 . 1 . . . . . 389 LYS H . 27701 1 185 . 1 1 39 39 LYS C C 13 176.177 0.6 . 1 . . . . . 389 LYS C . 27701 1 186 . 1 1 39 39 LYS CA C 13 56.316 0.6 . 1 . . . . . 389 LYS CA . 27701 1 187 . 1 1 39 39 LYS CB C 13 33.224 0.6 . 1 . . . . . 389 LYS CB . 27701 1 188 . 1 1 39 39 LYS N N 15 122.757 0.1 . 1 . . . . . 389 LYS N . 27701 1 189 . 1 1 40 40 ALA H H 1 8.45 0.002 . 1 . . . . . 390 ALA H . 27701 1 190 . 1 1 40 40 ALA C C 13 175.902 0.6 . 1 . . . . . 390 ALA C . 27701 1 191 . 1 1 40 40 ALA CA C 13 50.42 0.6 . 1 . . . . . 390 ALA CA . 27701 1 192 . 1 1 40 40 ALA CB C 13 18.397 0.6 . 1 . . . . . 390 ALA CB . 27701 1 193 . 1 1 40 40 ALA N N 15 127.115 0.09 . 1 . . . . . 390 ALA N . 27701 1 194 . 1 1 41 41 PRO C C 13 176.909 0.6 . 1 . . . . . 391 PRO C . 27701 1 195 . 1 1 41 41 PRO CA C 13 63.061 0.6 . 1 . . . . . 391 PRO CA . 27701 1 196 . 1 1 41 41 PRO CB C 13 32.385 0.6 . 1 . . . . . 391 PRO CB . 27701 1 197 . 1 1 42 42 LYS H H 1 8.549 0.001 . 1 . . . . . 392 LYS H . 27701 1 198 . 1 1 42 42 LYS C C 13 176.749 0.6 . 1 . . . . . 392 LYS C . 27701 1 199 . 1 1 42 42 LYS CA C 13 56.921 0.6 . 1 . . . . . 392 LYS CA . 27701 1 200 . 1 1 42 42 LYS CB C 13 33.227 0.6 . 1 . . . . . 392 LYS CB . 27701 1 201 . 1 1 42 42 LYS N N 15 123.272 0.14 . 1 . . . . . 392 LYS N . 27701 1 202 . 1 1 43 43 VAL H H 1 8.311 0.007 . 1 . . . . . 393 VAL H . 27701 1 203 . 1 1 43 43 VAL C C 13 175.921 0.6 . 1 . . . . . 393 VAL C . 27701 1 204 . 1 1 43 43 VAL CA C 13 62.672 0.6 . 1 . . . . . 393 VAL CA . 27701 1 205 . 1 1 43 43 VAL CB C 13 32.824 0.6 . 1 . . . . . 393 VAL CB . 27701 1 206 . 1 1 43 43 VAL N N 15 123.3 0.03 . 1 . . . . . 393 VAL N . 27701 1 207 . 1 1 44 44 VAL H H 1 8.372 0.016 . 1 . . . . . 394 VAL H . 27701 1 208 . 1 1 44 44 VAL C C 13 175.806 0.6 . 1 . . . . . 394 VAL C . 27701 1 209 . 1 1 44 44 VAL CA C 13 62.642 0.6 . 1 . . . . . 394 VAL CA . 27701 1 210 . 1 1 44 44 VAL CB C 13 33.16 0.6 . 1 . . . . . 394 VAL CB . 27701 1 211 . 1 1 44 44 VAL N N 15 126.516 0.03 . 1 . . . . . 394 VAL N . 27701 1 212 . 1 1 45 45 ILE H H 1 8.421 0.011 . 1 . . . . . 395 ILE H . 27701 1 213 . 1 1 45 45 ILE C C 13 176.105 0.6 . 1 . . . . . 395 ILE C . 27701 1 214 . 1 1 45 45 ILE CA C 13 60.734 0.6 . 1 . . . . . 395 ILE CA . 27701 1 215 . 1 1 45 45 ILE CB C 13 38.465 0.6 . 1 . . . . . 395 ILE CB . 27701 1 216 . 1 1 45 45 ILE N N 15 127.416 0.04 . 1 . . . . . 395 ILE N . 27701 1 217 . 1 1 46 46 LEU H H 1 8.481 0.008 . 1 . . . . . 396 LEU H . 27701 1 218 . 1 1 46 46 LEU C C 13 177.251 0.6 . 1 . . . . . 396 LEU C . 27701 1 219 . 1 1 46 46 LEU CA C 13 54.988 0.6 . 1 . . . . . 396 LEU CA . 27701 1 220 . 1 1 46 46 LEU CB C 13 42.343 0.6 . 1 . . . . . 396 LEU CB . 27701 1 221 . 1 1 46 46 LEU N N 15 128.47 0.08 . 1 . . . . . 396 LEU N . 27701 1 222 . 1 1 47 47 LYS H H 1 8.431 0.005 . 1 . . . . . 397 LYS H . 27701 1 223 . 1 1 47 47 LYS C C 13 176.662 0.6 . 1 . . . . . 397 LYS C . 27701 1 224 . 1 1 47 47 LYS CA C 13 56.493 0.6 . 1 . . . . . 397 LYS CA . 27701 1 225 . 1 1 47 47 LYS CB C 13 32.977 0.6 . 1 . . . . . 397 LYS CB . 27701 1 226 . 1 1 47 47 LYS N N 15 123.833 0.07 . 1 . . . . . 397 LYS N . 27701 1 227 . 1 1 48 48 LYS H H 1 8.466 0.007 . 1 . . . . . 398 LYS H . 27701 1 228 . 1 1 48 48 LYS C C 13 176.619 0.6 . 1 . . . . . 398 LYS C . 27701 1 229 . 1 1 48 48 LYS CA C 13 56.665 0.6 . 1 . . . . . 398 LYS CA . 27701 1 230 . 1 1 48 48 LYS CB C 13 33.181 0.6 . 1 . . . . . 398 LYS CB . 27701 1 231 . 1 1 48 48 LYS N N 15 123.881 0.05 . 1 . . . . . 398 LYS N . 27701 1 232 . 1 1 49 49 ALA H H 1 8.547 0.004 . 1 . . . . . 399 ALA H . 27701 1 233 . 1 1 49 49 ALA C C 13 178.054 0.6 . 1 . . . . . 399 ALA C . 27701 1 234 . 1 1 49 49 ALA CA C 13 52.94 0.6 . 1 . . . . . 399 ALA CA . 27701 1 235 . 1 1 49 49 ALA CB C 13 19.497 0.6 . 1 . . . . . 399 ALA CB . 27701 1 236 . 1 1 49 49 ALA N N 15 126.338 0.09 . 1 . . . . . 399 ALA N . 27701 1 237 . 1 1 50 50 THR H H 1 8.131 0.002 . 1 . . . . . 400 THR H . 27701 1 238 . 1 1 50 50 THR C C 13 174.463 0.6 . 1 . . . . . 400 THR C . 27701 1 239 . 1 1 50 50 THR CA C 13 62.374 0.6 . 1 . . . . . 400 THR CA . 27701 1 240 . 1 1 50 50 THR CB C 13 70.165 0.6 . 1 . . . . . 400 THR CB . 27701 1 241 . 1 1 50 50 THR N N 15 114.024 0.06 . 1 . . . . . 400 THR N . 27701 1 242 . 1 1 51 51 ALA H H 1 8.391 0.004 . 1 . . . . . 401 ALA H . 27701 1 243 . 1 1 51 51 ALA C C 13 177.605 0.6 . 1 . . . . . 401 ALA C . 27701 1 244 . 1 1 51 51 ALA CA C 13 53.06 0.6 . 1 . . . . . 401 ALA CA . 27701 1 245 . 1 1 51 51 ALA CB C 13 19.401 0.6 . 1 . . . . . 401 ALA CB . 27701 1 246 . 1 1 51 51 ALA N N 15 126.547 0.1 . 1 . . . . . 401 ALA N . 27701 1 247 . 1 1 52 52 TYR H H 1 8.215 0.006 . 1 . . . . . 402 TYR H . 27701 1 248 . 1 1 52 52 TYR C C 13 176.002 0.6 . 1 . . . . . 402 TYR C . 27701 1 249 . 1 1 52 52 TYR CA C 13 58.715 0.6 . 1 . . . . . 402 TYR CA . 27701 1 250 . 1 1 52 52 TYR CB C 13 39.004 0.6 . 1 . . . . . 402 TYR CB . 27701 1 251 . 1 1 52 52 TYR N N 15 120.576 0.11 . 1 . . . . . 402 TYR N . 27701 1 252 . 1 1 53 53 ILE H H 1 8.128 0.005 . 1 . . . . . 403 ILE H . 27701 1 253 . 1 1 53 53 ILE C C 13 176.22 0.6 . 1 . . . . . 403 ILE C . 27701 1 254 . 1 1 53 53 ILE CA C 13 61.479 0.6 . 1 . . . . . 403 ILE CA . 27701 1 255 . 1 1 53 53 ILE CB C 13 38.692 0.6 . 1 . . . . . 403 ILE CB . 27701 1 256 . 1 1 53 53 ILE N N 15 123.529 0.08 . 1 . . . . . 403 ILE N . 27701 1 257 . 1 1 54 54 LEU H H 1 8.321 0.002 . 1 . . . . . 404 LEU H . 27701 1 258 . 1 1 54 54 LEU C C 13 177.616 0.6 . 1 . . . . . 404 LEU C . 27701 1 259 . 1 1 54 54 LEU CA C 13 55.584 0.6 . 1 . . . . . 404 LEU CA . 27701 1 260 . 1 1 54 54 LEU CB C 13 42.369 0.6 . 1 . . . . . 404 LEU CB . 27701 1 261 . 1 1 54 54 LEU N N 15 126.367 0.17 . 1 . . . . . 404 LEU N . 27701 1 262 . 1 1 55 55 SER H H 1 8.36 0.002 . 1 . . . . . 405 SER H . 27701 1 263 . 1 1 55 55 SER C C 13 174.901 0.6 . 1 . . . . . 405 SER C . 27701 1 264 . 1 1 55 55 SER CA C 13 58.776 0.6 . 1 . . . . . 405 SER CA . 27701 1 265 . 1 1 55 55 SER CB C 13 64.134 0.6 . 1 . . . . . 405 SER CB . 27701 1 266 . 1 1 55 55 SER N N 15 117.992 0.11 . 1 . . . . . 405 SER N . 27701 1 267 . 1 1 56 56 VAL H H 1 8.257 0.001 . 1 . . . . . 406 VAL H . 27701 1 268 . 1 1 56 56 VAL C C 13 176.683 0.6 . 1 . . . . . 406 VAL C . 27701 1 269 . 1 1 56 56 VAL CA C 13 63.243 0.6 . 1 . . . . . 406 VAL CA . 27701 1 270 . 1 1 56 56 VAL CB C 13 32.609 0.6 . 1 . . . . . 406 VAL CB . 27701 1 271 . 1 1 56 56 VAL N N 15 122.308 0.03 . 1 . . . . . 406 VAL N . 27701 1 272 . 1 1 57 57 GLN H H 1 8.46 0.004 . 1 . . . . . 407 GLN H . 27701 1 273 . 1 1 57 57 GLN C C 13 176.274 0.6 . 1 . . . . . 407 GLN C . 27701 1 274 . 1 1 57 57 GLN CA C 13 56.475 0.6 . 1 . . . . . 407 GLN CA . 27701 1 275 . 1 1 57 57 GLN CB C 13 29.47 0.6 . 1 . . . . . 407 GLN CB . 27701 1 276 . 1 1 57 57 GLN N N 15 123.479 0.13 . 1 . . . . . 407 GLN N . 27701 1 277 . 1 1 58 58 ALA H H 1 8.366 0.005 . 1 . . . . . 408 ALA H . 27701 1 278 . 1 1 58 58 ALA C C 13 178.27 0.6 . 1 . . . . . 408 ALA C . 27701 1 279 . 1 1 58 58 ALA CA C 13 53.352 0.6 . 1 . . . . . 408 ALA CA . 27701 1 280 . 1 1 58 58 ALA CB C 13 19.369 0.6 . 1 . . . . . 408 ALA CB . 27701 1 281 . 1 1 58 58 ALA N N 15 125.314 0.11 . 1 . . . . . 408 ALA N . 27701 1 282 . 1 1 59 59 GLU H H 1 8.447 0 . 1 . . . . . 409 GLU H . 27701 1 283 . 1 1 59 59 GLU C C 13 177.035 0.6 . 1 . . . . . 409 GLU C . 27701 1 284 . 1 1 59 59 GLU CA C 13 57.218 0.6 . 1 . . . . . 409 GLU CA . 27701 1 285 . 1 1 59 59 GLU CB C 13 30.305 0.6 . 1 . . . . . 409 GLU CB . 27701 1 286 . 1 1 59 59 GLU N N 15 120.474 0.1 . 1 . . . . . 409 GLU N . 27701 1 287 . 1 1 60 60 GLU H H 1 8.478 0 . 1 . . . . . 410 GLU H . 27701 1 288 . 1 1 60 60 GLU C C 13 176.847 0.6 . 1 . . . . . 410 GLU C . 27701 1 289 . 1 1 60 60 GLU CA C 13 57.093 0.6 . 1 . . . . . 410 GLU CA . 27701 1 290 . 1 1 60 60 GLU CB C 13 30.46 0.6 . 1 . . . . . 410 GLU CB . 27701 1 291 . 1 1 60 60 GLU N N 15 121.836 0.12 . 1 . . . . . 410 GLU N . 27701 1 292 . 1 1 61 61 GLN H H 1 8.442 0.007 . 1 . . . . . 411 GLN H . 27701 1 293 . 1 1 61 61 GLN C C 13 176.216 0.6 . 1 . . . . . 411 GLN C . 27701 1 294 . 1 1 61 61 GLN CA C 13 56.419 0.6 . 1 . . . . . 411 GLN CA . 27701 1 295 . 1 1 61 61 GLN CB C 13 29.653 0.6 . 1 . . . . . 411 GLN CB . 27701 1 296 . 1 1 61 61 GLN N N 15 121.65 0.18 . 1 . . . . . 411 GLN N . 27701 1 297 . 1 1 62 62 LYS H H 1 8.394 0.01 . 1 . . . . . 412 LYS H . 27701 1 298 . 1 1 62 62 LYS C C 13 176.687 0.6 . 1 . . . . . 412 LYS C . 27701 1 299 . 1 1 62 62 LYS CA C 13 56.826 0.6 . 1 . . . . . 412 LYS CA . 27701 1 300 . 1 1 62 62 LYS CB C 13 33.152 0.6 . 1 . . . . . 412 LYS CB . 27701 1 301 . 1 1 62 62 LYS N N 15 123.362 0.14 . 1 . . . . . 412 LYS N . 27701 1 302 . 1 1 63 63 LEU H H 1 8.374 0.01 . 1 . . . . . 413 LEU H . 27701 1 303 . 1 1 63 63 LEU C C 13 177.497 0.6 . 1 . . . . . 413 LEU C . 27701 1 304 . 1 1 63 63 LEU CA C 13 55.674 0.6 . 1 . . . . . 413 LEU CA . 27701 1 305 . 1 1 63 63 LEU CB C 13 42.308 0.6 . 1 . . . . . 413 LEU CB . 27701 1 306 . 1 1 63 63 LEU N N 15 124.199 0.23 . 1 . . . . . 413 LEU N . 27701 1 307 . 1 1 64 64 ILE H H 1 8.292 0.009 . 1 . . . . . 414 ILE H . 27701 1 308 . 1 1 64 64 ILE C C 13 176.383 0.6 . 1 . . . . . 414 ILE C . 27701 1 309 . 1 1 64 64 ILE CA C 13 61.596 0.6 . 1 . . . . . 414 ILE CA . 27701 1 310 . 1 1 64 64 ILE CB C 13 38.799 0.6 . 1 . . . . . 414 ILE CB . 27701 1 311 . 1 1 64 64 ILE N N 15 123.053 0.15 . 1 . . . . . 414 ILE N . 27701 1 312 . 1 1 65 65 SER H H 1 8.627 0.022 . 1 . . . . . 415 SER H . 27701 1 313 . 1 1 65 65 SER C C 13 175.054 0.6 . 1 . . . . . 415 SER C . 27701 1 314 . 1 1 65 65 SER CA C 13 58.75 0.6 . 1 . . . . . 415 SER CA . 27701 1 315 . 1 1 65 65 SER CB C 13 64.372 0.6 . 1 . . . . . 415 SER CB . 27701 1 316 . 1 1 65 65 SER N N 15 120.912 0.08 . 1 . . . . . 415 SER N . 27701 1 317 . 1 1 66 66 GLU H H 1 8.663 0.009 . 1 . . . . . 416 GLU H . 27701 1 318 . 1 1 66 66 GLU C C 13 177.385 0.6 . 1 . . . . . 416 GLU C . 27701 1 319 . 1 1 66 66 GLU CA C 13 57.345 0.6 . 1 . . . . . 416 GLU CA . 27701 1 320 . 1 1 66 66 GLU CB C 13 30.227 0.6 . 1 . . . . . 416 GLU CB . 27701 1 321 . 1 1 66 66 GLU N N 15 123.564 0.15 . 1 . . . . . 416 GLU N . 27701 1 322 . 1 1 67 67 GLU H H 1 8.483 0.012 . 1 . . . . . 417 GLU H . 27701 1 323 . 1 1 67 67 GLU C C 13 177.102 0.6 . 1 . . . . . 417 GLU C . 27701 1 324 . 1 1 67 67 GLU CA C 13 57.796 0.6 . 1 . . . . . 417 GLU CA . 27701 1 325 . 1 1 67 67 GLU CB C 13 29.912 0.6 . 1 . . . . . 417 GLU CB . 27701 1 326 . 1 1 67 67 GLU N N 15 120.26 0.11 . 1 . . . . . 417 GLU N . 27701 1 327 . 1 1 68 68 ASP H H 1 8.315 0.011 . 1 . . . . . 418 ASP H . 27701 1 328 . 1 1 68 68 ASP C C 13 176.933 0.6 . 1 . . . . . 418 ASP C . 27701 1 329 . 1 1 68 68 ASP CA C 13 55.442 0.6 . 1 . . . . . 418 ASP CA . 27701 1 330 . 1 1 68 68 ASP CB C 13 41.018 0.6 . 1 . . . . . 418 ASP CB . 27701 1 331 . 1 1 68 68 ASP N N 15 121.112 0.1 . 1 . . . . . 418 ASP N . 27701 1 332 . 1 1 69 69 LEU H H 1 8.111 0.004 . 1 . . . . . 419 LEU H . 27701 1 333 . 1 1 69 69 LEU C C 13 178.014 0.6 . 1 . . . . . 419 LEU C . 27701 1 334 . 1 1 69 69 LEU CA C 13 56.249 0.6 . 1 . . . . . 419 LEU CA . 27701 1 335 . 1 1 69 69 LEU CB C 13 42.218 0.6 . 1 . . . . . 419 LEU CB . 27701 1 336 . 1 1 69 69 LEU N N 15 122.39 0.09 . 1 . . . . . 419 LEU N . 27701 1 337 . 1 1 70 70 LEU H H 1 8.205 0.015 . 1 . . . . . 420 LEU H . 27701 1 338 . 1 1 70 70 LEU C C 13 177.993 0.6 . 1 . . . . . 420 LEU C . 27701 1 339 . 1 1 70 70 LEU CA C 13 56.061 0.6 . 1 . . . . . 420 LEU CA . 27701 1 340 . 1 1 70 70 LEU CB C 13 42.173 0.6 . 1 . . . . . 420 LEU CB . 27701 1 341 . 1 1 70 70 LEU N N 15 122.09 0.33 . 1 . . . . . 420 LEU N . 27701 1 342 . 1 1 71 71 ARG H H 1 8.194 0.029 . 1 . . . . . 421 ARG H . 27701 1 343 . 1 1 71 71 ARG C C 13 176.829 0.6 . 1 . . . . . 421 ARG C . 27701 1 344 . 1 1 71 71 ARG CA C 13 57.132 0.6 . 1 . . . . . 421 ARG CA . 27701 1 345 . 1 1 71 71 ARG CB C 13 30.302 0.6 . 1 . . . . . 421 ARG CB . 27701 1 346 . 1 1 71 71 ARG N N 15 121.85 0.31 . 1 . . . . . 421 ARG N . 27701 1 347 . 1 1 72 72 LYS H H 1 8.355 0.028 . 1 . . . . . 422 LYS H . 27701 1 348 . 1 1 72 72 LYS C C 13 177.203 0.6 . 1 . . . . . 422 LYS C . 27701 1 349 . 1 1 72 72 LYS CA C 13 57.109 0.6 . 1 . . . . . 422 LYS CA . 27701 1 350 . 1 1 72 72 LYS CB C 13 33.21 0.6 . 1 . . . . . 422 LYS CB . 27701 1 351 . 1 1 72 72 LYS N N 15 122.857 0.37 . 1 . . . . . 422 LYS N . 27701 1 352 . 1 1 73 73 ARG H H 1 8.437 0.025 . 1 . . . . . 423 ARG H . 27701 1 353 . 1 1 73 73 ARG C C 13 176.962 0.6 . 1 . . . . . 423 ARG C . 27701 1 354 . 1 1 73 73 ARG CA C 13 57.315 0.6 . 1 . . . . . 423 ARG CA . 27701 1 355 . 1 1 73 73 ARG CB C 13 30.848 0.6 . 1 . . . . . 423 ARG CB . 27701 1 356 . 1 1 73 73 ARG N N 15 122.801 0.35 . 1 . . . . . 423 ARG N . 27701 1 357 . 1 1 74 74 ARG H H 1 8.473 0.023 . 1 . . . . . 424 ARG H . 27701 1 358 . 1 1 74 74 ARG C C 13 176.901 0.6 . 1 . . . . . 424 ARG C . 27701 1 359 . 1 1 74 74 ARG CA C 13 56.93 0.6 . 1 . . . . . 424 ARG CA . 27701 1 360 . 1 1 74 74 ARG CB C 13 30.785 0.6 . 1 . . . . . 424 ARG CB . 27701 1 361 . 1 1 74 74 ARG N N 15 122.814 0.35 . 1 . . . . . 424 ARG N . 27701 1 362 . 1 1 75 75 GLU H H 1 8.534 0.02 . 1 . . . . . 425 GLU H . 27701 1 363 . 1 1 75 75 GLU C C 13 176.751 0.6 . 1 . . . . . 425 GLU C . 27701 1 364 . 1 1 75 75 GLU CA C 13 57.201 0.6 . 1 . . . . . 425 GLU CA . 27701 1 365 . 1 1 75 75 GLU CB C 13 30.279 0.6 . 1 . . . . . 425 GLU CB . 27701 1 366 . 1 1 75 75 GLU N N 15 122.614 0.31 . 1 . . . . . 425 GLU N . 27701 1 367 . 1 1 76 76 GLN H H 1 8.512 0.026 . 1 . . . . . 426 GLN H . 27701 1 368 . 1 1 76 76 GLN C C 13 176.277 0.6 . 1 . . . . . 426 GLN C . 27701 1 369 . 1 1 76 76 GLN CA C 13 56.29 0.6 . 1 . . . . . 426 GLN CA . 27701 1 370 . 1 1 76 76 GLN CB C 13 29.632 0.6 . 1 . . . . . 426 GLN CB . 27701 1 371 . 1 1 76 76 GLN N N 15 122.146 0.38 . 1 . . . . . 426 GLN N . 27701 1 372 . 1 1 77 77 LEU H H 1 8.355 0.023 . 1 . . . . . 427 LEU H . 27701 1 373 . 1 1 77 77 LEU C C 13 177.599 0.6 . 1 . . . . . 427 LEU C . 27701 1 374 . 1 1 77 77 LEU CA C 13 55.698 0.6 . 1 . . . . . 427 LEU CA . 27701 1 375 . 1 1 77 77 LEU CB C 13 42.352 0.6 . 1 . . . . . 427 LEU CB . 27701 1 376 . 1 1 77 77 LEU N N 15 124.128 0.31 . 1 . . . . . 427 LEU N . 27701 1 377 . 1 1 78 78 LYS H H 1 8.377 0.025 . 1 . . . . . 428 LYS H . 27701 1 378 . 1 1 78 78 LYS C C 13 176.769 0.6 . 1 . . . . . 428 LYS C . 27701 1 379 . 1 1 78 78 LYS CA C 13 57.083 0.6 . 1 . . . . . 428 LYS CA . 27701 1 380 . 1 1 78 78 LYS CB C 13 33.164 0.6 . 1 . . . . . 428 LYS CB . 27701 1 381 . 1 1 78 78 LYS N N 15 122.368 0.25 . 1 . . . . . 428 LYS N . 27701 1 382 . 1 1 79 79 HIS H H 1 8.501 0.074 . 1 . . . . . 429 HIS H . 27701 1 383 . 1 1 79 79 HIS C C 13 175.266 0.6 . 1 . . . . . 429 HIS C . 27701 1 384 . 1 1 79 79 HIS CA C 13 56.139 0.6 . 1 . . . . . 429 HIS CA . 27701 1 385 . 1 1 79 79 HIS CB C 13 30.026 0.6 . 1 . . . . . 429 HIS CB . 27701 1 386 . 1 1 79 79 HIS N N 15 120.118 0.03 . 1 . . . . . 429 HIS N . 27701 1 387 . 1 1 80 80 LYS H H 1 8.487 0.052 . 1 . . . . . 430 LYS H . 27701 1 388 . 1 1 80 80 LYS C C 13 176.843 0.6 . 1 . . . . . 430 LYS C . 27701 1 389 . 1 1 80 80 LYS CA C 13 56.781 0.6 . 1 . . . . . 430 LYS CA . 27701 1 390 . 1 1 80 80 LYS CB C 13 33.205 0.6 . 1 . . . . . 430 LYS CB . 27701 1 391 . 1 1 80 80 LYS N N 15 123.676 0.32 . 1 . . . . . 430 LYS N . 27701 1 392 . 1 1 81 81 LEU H H 1 8.478 0.006 . 1 . . . . . 431 LEU H . 27701 1 393 . 1 1 81 81 LEU C C 13 177.769 0.6 . 1 . . . . . 431 LEU C . 27701 1 394 . 1 1 81 81 LEU CA C 13 55.772 0.6 . 1 . . . . . 431 LEU CA . 27701 1 395 . 1 1 81 81 LEU CB C 13 42.288 0.6 . 1 . . . . . 431 LEU CB . 27701 1 396 . 1 1 81 81 LEU N N 15 124.066 0.33 . 1 . . . . . 431 LEU N . 27701 1 397 . 1 1 82 82 GLU H H 1 8.538 0.016 . 1 . . . . . 432 GLU H . 27701 1 398 . 1 1 82 82 GLU C C 13 176.651 0.6 . 1 . . . . . 432 GLU C . 27701 1 399 . 1 1 82 82 GLU CA C 13 57.104 0.6 . 1 . . . . . 432 GLU CA . 27701 1 400 . 1 1 82 82 GLU CB C 13 30.28 0.6 . 1 . . . . . 432 GLU CB . 27701 1 401 . 1 1 82 82 GLU N N 15 122.765 0.27 . 1 . . . . . 432 GLU N . 27701 1 402 . 1 1 83 83 GLN H H 1 8.503 0.014 . 1 . . . . . 433 GLN H . 27701 1 403 . 1 1 83 83 GLN C C 13 176.202 0.6 . 1 . . . . . 433 GLN C . 27701 1 404 . 1 1 83 83 GLN CA C 13 56.236 0.6 . 1 . . . . . 433 GLN CA . 27701 1 405 . 1 1 83 83 GLN CB C 13 29.663 0.6 . 1 . . . . . 433 GLN CB . 27701 1 406 . 1 1 83 83 GLN N N 15 122.085 0.18 . 1 . . . . . 433 GLN N . 27701 1 407 . 1 1 84 84 LEU H H 1 8.439 0.017 . 1 . . . . . 434 LEU H . 27701 1 408 . 1 1 84 84 LEU C C 13 177.699 0.6 . 1 . . . . . 434 LEU C . 27701 1 409 . 1 1 84 84 LEU CA C 13 55.616 0.6 . 1 . . . . . 434 LEU CA . 27701 1 410 . 1 1 84 84 LEU CB C 13 42.337 0.6 . 1 . . . . . 434 LEU CB . 27701 1 411 . 1 1 84 84 LEU N N 15 124.486 0.27 . 1 . . . . . 434 LEU N . 27701 1 412 . 1 1 85 85 ARG H H 1 8.475 0.014 . 1 . . . . . 435 ARG H . 27701 1 413 . 1 1 85 85 ARG C C 13 176.362 0.6 . 1 . . . . . 435 ARG C . 27701 1 414 . 1 1 85 85 ARG CA C 13 56.498 0.6 . 1 . . . . . 435 ARG CA . 27701 1 415 . 1 1 85 85 ARG CB C 13 31.026 0.6 . 1 . . . . . 435 ARG CB . 27701 1 416 . 1 1 85 85 ARG N N 15 122.107 0.17 . 1 . . . . . 435 ARG N . 27701 1 417 . 1 1 86 86 ASN H H 1 8.578 0.01 . 1 . . . . . 436 ASN H . 27701 1 418 . 1 1 86 86 ASN C C 13 174.588 0.6 . 1 . . . . . 436 ASN C . 27701 1 419 . 1 1 86 86 ASN CA C 13 53.44 0.6 . 1 . . . . . 436 ASN CA . 27701 1 420 . 1 1 86 86 ASN CB C 13 39.297 0.6 . 1 . . . . . 436 ASN CB . 27701 1 421 . 1 1 86 86 ASN N N 15 120.647 0.16 . 1 . . . . . 436 ASN N . 27701 1 422 . 1 1 87 87 SER H H 1 8.024 0.006 . 1 . . . . . 437 SER H . 27701 1 423 . 1 1 87 87 SER N N 15 121.662 0.1 . 1 . . . . . 437 SER N . 27701 1 stop_ save_