data_27702 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27702 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Myc bHLH-LZ domain in presence of 2.4 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. . . 27702 2 Matthew Cliff . J. . . 27702 3 Pavel Macek . . . . 27702 4 Martin Blackledge . . . . 27702 5 Malene Jensen . Ringkjobing . . 27702 6 'J. Willem' Nissink . M. . . 27702 7 Kevin Embrey . J. . . 27702 8 Rick Davies . . . . 27702 9 Jonathan Waltho . P. . . 27702 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27702 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' . 27702 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27702 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 168 27702 '15N chemical shifts' 84 27702 '1H chemical shifts' 84 27702 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' 27702 1 . . 2019-08-15 2018-11-24 original author 'original release' 27702 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27701 'bHLHZip domain of Myc (in presence of 3.2 M GdmCl)' 27702 BMRB 27703 'bHLHZip domain of Myc (in presence of 1.6 M GdmCl)' 27702 BMRB 27704 'bHLHZip domain of Myc' 27702 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27702 _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. . . 27702 1 2 Matthew Cliff . J. . . 27702 1 3 Pavel Macek . . . . 27702 1 4 Martin Blackledge . . . . 27702 1 5 Malene Jensen . Ringkjobing . . 27702 1 6 'J. Willem' Nissink . M. . . 27702 1 7 Kevin Embrey . J. . . 27702 1 8 Rick Davies . . . . 27702 1 9 Jonathan Waltho . P. . . 27702 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID IDP 27702 1 'chemical denaturation' 27702 1 'disordered protein' 27702 1 'protein unfolding' 27702 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27702 _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 . . . 27702 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 27702 _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 . 27702 1 2 352 SER . 27702 1 3 353 ASN . 27702 1 4 354 VAL . 27702 1 5 355 LYS . 27702 1 6 356 ARG . 27702 1 7 357 ARG . 27702 1 8 358 THR . 27702 1 9 359 HIS . 27702 1 10 360 ASN . 27702 1 11 361 VAL . 27702 1 12 362 LEU . 27702 1 13 363 GLU . 27702 1 14 364 ARG . 27702 1 15 365 GLN . 27702 1 16 366 ARG . 27702 1 17 367 ARG . 27702 1 18 368 ASN . 27702 1 19 369 GLU . 27702 1 20 370 LEU . 27702 1 21 371 LYS . 27702 1 22 372 ARG . 27702 1 23 373 SER . 27702 1 24 374 PHE . 27702 1 25 375 PHE . 27702 1 26 376 ALA . 27702 1 27 377 LEU . 27702 1 28 378 ARG . 27702 1 29 379 ASP . 27702 1 30 380 GLN . 27702 1 31 381 ILE . 27702 1 32 382 PRO . 27702 1 33 383 GLU . 27702 1 34 384 LEU . 27702 1 35 385 GLU . 27702 1 36 386 ASN . 27702 1 37 387 ASN . 27702 1 38 388 GLU . 27702 1 39 389 LYS . 27702 1 40 390 ALA . 27702 1 41 391 PRO . 27702 1 42 392 LYS . 27702 1 43 393 VAL . 27702 1 44 394 VAL . 27702 1 45 395 ILE . 27702 1 46 396 LEU . 27702 1 47 397 LYS . 27702 1 48 398 LYS . 27702 1 49 399 ALA . 27702 1 50 400 THR . 27702 1 51 401 ALA . 27702 1 52 402 TYR . 27702 1 53 403 ILE . 27702 1 54 404 LEU . 27702 1 55 405 SER . 27702 1 56 406 VAL . 27702 1 57 407 GLN . 27702 1 58 408 ALA . 27702 1 59 409 GLU . 27702 1 60 410 GLU . 27702 1 61 411 GLN . 27702 1 62 412 LYS . 27702 1 63 413 LEU . 27702 1 64 414 ILE . 27702 1 65 415 SER . 27702 1 66 416 GLU . 27702 1 67 417 GLU . 27702 1 68 418 ASP . 27702 1 69 419 LEU . 27702 1 70 420 LEU . 27702 1 71 421 ARG . 27702 1 72 422 LYS . 27702 1 73 423 ARG . 27702 1 74 424 ARG . 27702 1 75 425 GLU . 27702 1 76 426 GLN . 27702 1 77 427 LEU . 27702 1 78 428 LYS . 27702 1 79 429 HIS . 27702 1 80 430 LYS . 27702 1 81 431 LEU . 27702 1 82 432 GLU . 27702 1 83 433 GLN . 27702 1 84 434 LEU . 27702 1 85 435 ARG . 27702 1 86 436 ASN . 27702 1 87 437 SER . 27702 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 27702 1 . SER 2 2 27702 1 . ASN 3 3 27702 1 . VAL 4 4 27702 1 . LYS 5 5 27702 1 . ARG 6 6 27702 1 . ARG 7 7 27702 1 . THR 8 8 27702 1 . HIS 9 9 27702 1 . ASN 10 10 27702 1 . VAL 11 11 27702 1 . LEU 12 12 27702 1 . GLU 13 13 27702 1 . ARG 14 14 27702 1 . GLN 15 15 27702 1 . ARG 16 16 27702 1 . ARG 17 17 27702 1 . ASN 18 18 27702 1 . GLU 19 19 27702 1 . LEU 20 20 27702 1 . LYS 21 21 27702 1 . ARG 22 22 27702 1 . SER 23 23 27702 1 . PHE 24 24 27702 1 . PHE 25 25 27702 1 . ALA 26 26 27702 1 . LEU 27 27 27702 1 . ARG 28 28 27702 1 . ASP 29 29 27702 1 . GLN 30 30 27702 1 . ILE 31 31 27702 1 . PRO 32 32 27702 1 . GLU 33 33 27702 1 . LEU 34 34 27702 1 . GLU 35 35 27702 1 . ASN 36 36 27702 1 . ASN 37 37 27702 1 . GLU 38 38 27702 1 . LYS 39 39 27702 1 . ALA 40 40 27702 1 . PRO 41 41 27702 1 . LYS 42 42 27702 1 . VAL 43 43 27702 1 . VAL 44 44 27702 1 . ILE 45 45 27702 1 . LEU 46 46 27702 1 . LYS 47 47 27702 1 . LYS 48 48 27702 1 . ALA 49 49 27702 1 . THR 50 50 27702 1 . ALA 51 51 27702 1 . TYR 52 52 27702 1 . ILE 53 53 27702 1 . LEU 54 54 27702 1 . SER 55 55 27702 1 . VAL 56 56 27702 1 . GLN 57 57 27702 1 . ALA 58 58 27702 1 . GLU 59 59 27702 1 . GLU 60 60 27702 1 . GLN 61 61 27702 1 . LYS 62 62 27702 1 . LEU 63 63 27702 1 . ILE 64 64 27702 1 . SER 65 65 27702 1 . GLU 66 66 27702 1 . GLU 67 67 27702 1 . ASP 68 68 27702 1 . LEU 69 69 27702 1 . LEU 70 70 27702 1 . ARG 71 71 27702 1 . LYS 72 72 27702 1 . ARG 73 73 27702 1 . ARG 74 74 27702 1 . GLU 75 75 27702 1 . GLN 76 76 27702 1 . LEU 77 77 27702 1 . LYS 78 78 27702 1 . HIS 79 79 27702 1 . LYS 80 80 27702 1 . LEU 81 81 27702 1 . GLU 82 82 27702 1 . GLN 83 83 27702 1 . LEU 84 84 27702 1 . ARG 85 85 27702 1 . ASN 86 86 27702 1 . SER 87 87 27702 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 27702 _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 . . . . . . . . . . . . . 27702 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 27702 _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 . . . 27702 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27702 _Sample.ID 1 _Sample.Name . _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 'bHLHZip domain of Myc' '[U-13C; U-15N]' . . 1 $bHLHZip_domain_of_Myc . . 1 . . mM 0.1 . . . 27702 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 2 . . . 27702 1 3 TSP 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 27702 1 4 GdmCl 'natural abundance' . . . . . . 2.4 . . M 0.1 . . . 27702 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 27702 _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' 2.4 0.05 M 27702 1 pH 6.5 0.1 pH 27702 1 pressure 1 . atm 27702 1 temperature 278 . K 27702 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 27702 _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 . . 27702 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27702 1 . 'data analysis' 27702 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 27702 _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 27702 _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 . . . 27702 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 27702 _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 . . . . . . . . . . . . . . . . 27702 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27702 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27702 1 4 (H)N(CA)NNH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27702 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 27702 _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 . . . . . 27702 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal indirect 1 . . . . . 27702 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 27702 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 27702 _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' . . . 27702 1 2 '3D HNCACB' . . . 27702 1 3 '3D CBCA(CO)NH' . . . 27702 1 4 (H)N(CA)NNH . . . 27702 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 . . 27702 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 8.777 0.003 . 1 . . . . . 352 SER H . 27702 1 2 . 1 1 2 2 SER CA C 13 58.61268 0.6 . 1 . . . . . 352 SER CA . 27702 1 3 . 1 1 2 2 SER CB C 13 64.2336 0.6 . 1 . . . . . 352 SER CB . 27702 1 4 . 1 1 2 2 SER N N 15 116.093 0.13 . 1 . . . . . 352 SER N . 27702 1 5 . 1 1 3 3 ASN H H 1 8.758 0.006 . 1 . . . . . 353 ASN H . 27702 1 6 . 1 1 3 3 ASN CA C 13 53.5106 0.6 . 1 . . . . . 353 ASN CA . 27702 1 7 . 1 1 3 3 ASN CB C 13 39.00547 0.6 . 1 . . . . . 353 ASN CB . 27702 1 8 . 1 1 3 3 ASN N N 15 121.934 0.09 . 1 . . . . . 353 ASN N . 27702 1 9 . 1 1 4 4 VAL H H 1 8.167 0.006 . 1 . . . . . 354 VAL H . 27702 1 10 . 1 1 4 4 VAL CA C 13 62.77979 0.6 . 1 . . . . . 354 VAL CA . 27702 1 11 . 1 1 4 4 VAL CB C 13 32.90486 0.6 . 1 . . . . . 354 VAL CB . 27702 1 12 . 1 1 4 4 VAL N N 15 120.922 0.05 . 1 . . . . . 354 VAL N . 27702 1 13 . 1 1 5 5 LYS H H 1 8.496 0.006 . 1 . . . . . 355 LYS H . 27702 1 14 . 1 1 5 5 LYS CA C 13 56.61515 0.6 . 1 . . . . . 355 LYS CA . 27702 1 15 . 1 1 5 5 LYS CB C 13 33.05358 0.6 . 1 . . . . . 355 LYS CB . 27702 1 16 . 1 1 5 5 LYS N N 15 126.257 0.1 . 1 . . . . . 355 LYS N . 27702 1 17 . 1 1 6 6 ARG H H 1 8.475 0.007 . 1 . . . . . 356 ARG H . 27702 1 18 . 1 1 6 6 ARG CA C 13 56.41132 0.6 . 1 . . . . . 356 ARG CA . 27702 1 19 . 1 1 6 6 ARG CB C 13 31.10815 0.6 . 1 . . . . . 356 ARG CB . 27702 1 20 . 1 1 6 6 ARG N N 15 123.783 0.13 . 1 . . . . . 356 ARG N . 27702 1 21 . 1 1 7 7 ARG H H 1 8.589 0.004 . 1 . . . . . 357 ARG H . 27702 1 22 . 1 1 7 7 ARG CA C 13 56.3567 0.6 . 1 . . . . . 357 ARG CA . 27702 1 23 . 1 1 7 7 ARG CB C 13 31.07316 0.6 . 1 . . . . . 357 ARG CB . 27702 1 24 . 1 1 7 7 ARG N N 15 123.719 0.08 . 1 . . . . . 357 ARG N . 27702 1 25 . 1 1 8 8 THR H H 1 8.306 0.005 . 1 . . . . . 358 THR H . 27702 1 26 . 1 1 8 8 THR CA C 13 61.91845 0.6 . 1 . . . . . 358 THR CA . 27702 1 27 . 1 1 8 8 THR CB C 13 70.17557 0.6 . 1 . . . . . 358 THR CB . 27702 1 28 . 1 1 8 8 THR N N 15 115.689 0.05 . 1 . . . . . 358 THR N . 27702 1 29 . 1 1 9 9 HIS H H 1 8.623 0.053 . 1 . . . . . 359 HIS H . 27702 1 30 . 1 1 9 9 HIS CA C 13 55.76827 0.6 . 1 . . . . . 359 HIS CA . 27702 1 31 . 1 1 9 9 HIS CB C 13 29.70486 0.6 . 1 . . . . . 359 HIS CB . 27702 1 32 . 1 1 9 9 HIS N N 15 120.971 0.31 . 1 . . . . . 359 HIS N . 27702 1 33 . 1 1 10 10 ASN H H 1 8.666 0.029 . 1 . . . . . 360 ASN H . 27702 1 34 . 1 1 10 10 ASN CA C 13 53.51688 0.6 . 1 . . . . . 360 ASN CA . 27702 1 35 . 1 1 10 10 ASN CB C 13 39.09435 0.6 . 1 . . . . . 360 ASN CB . 27702 1 36 . 1 1 10 10 ASN N N 15 121.229 0.15 . 1 . . . . . 360 ASN N . 27702 1 37 . 1 1 11 11 VAL H H 1 8.304 0.007 . 1 . . . . . 361 VAL H . 27702 1 38 . 1 1 11 11 VAL CA C 13 63.05628 0.6 . 1 . . . . . 361 VAL CA . 27702 1 39 . 1 1 11 11 VAL CB C 13 32.80463 0.6 . 1 . . . . . 361 VAL CB . 27702 1 40 . 1 1 11 11 VAL N N 15 121.421 0.08 . 1 . . . . . 361 VAL N . 27702 1 41 . 1 1 12 12 LEU H H 1 8.397 0.009 . 1 . . . . . 362 LEU H . 27702 1 42 . 1 1 12 12 LEU CA C 13 55.66291 0.6 . 1 . . . . . 362 LEU CA . 27702 1 43 . 1 1 12 12 LEU CB C 13 42.33093 0.6 . 1 . . . . . 362 LEU CB . 27702 1 44 . 1 1 12 12 LEU N N 15 125.777 0.23 . 1 . . . . . 362 LEU N . 27702 1 45 . 1 1 13 13 GLU H H 1 8.451 0.003 . 1 . . . . . 363 GLU H . 27702 1 46 . 1 1 13 13 GLU CA C 13 57.13067 0.6 . 1 . . . . . 363 GLU CA . 27702 1 47 . 1 1 13 13 GLU CB C 13 30.49403 0.6 . 1 . . . . . 363 GLU CB . 27702 1 48 . 1 1 13 13 GLU N N 15 122.49 0.17 . 1 . . . . . 363 GLU N . 27702 1 49 . 1 1 14 14 ARG H H 1 8.441 0.012 . 1 . . . . . 364 ARG H . 27702 1 50 . 1 1 14 14 ARG CA C 13 57.07139 0.6 . 1 . . . . . 364 ARG CA . 27702 1 51 . 1 1 14 14 ARG CB C 13 30.65938 0.6 . 1 . . . . . 364 ARG CB . 27702 1 52 . 1 1 14 14 ARG N N 15 122.491 0.17 . 1 . . . . . 364 ARG N . 27702 1 53 . 1 1 15 15 GLN H H 1 8.524 0.006 . 1 . . . . . 365 GLN H . 27702 1 54 . 1 1 15 15 GLN CA C 13 56.53673 0.6 . 1 . . . . . 365 GLN CA . 27702 1 55 . 1 1 15 15 GLN CB C 13 29.66293 0.6 . 1 . . . . . 365 GLN CB . 27702 1 56 . 1 1 15 15 GLN N N 15 122.036 0.18 . 1 . . . . . 365 GLN N . 27702 1 57 . 1 1 16 16 ARG H H 1 8.519 0.007 . 1 . . . . . 366 ARG H . 27702 1 58 . 1 1 16 16 ARG CA C 13 56.67995 0.6 . 1 . . . . . 366 ARG CA . 27702 1 59 . 1 1 16 16 ARG CB C 13 30.83207 0.6 . 1 . . . . . 366 ARG CB . 27702 1 60 . 1 1 16 16 ARG N N 15 123.223 0.19 . 1 . . . . . 366 ARG N . 27702 1 61 . 1 1 17 17 ARG H H 1 8.525 0.004 . 1 . . . . . 367 ARG H . 27702 1 62 . 1 1 17 17 ARG CA C 13 56.98828 0.6 . 1 . . . . . 367 ARG CA . 27702 1 63 . 1 1 17 17 ARG CB C 13 30.66223 0.6 . 1 . . . . . 367 ARG CB . 27702 1 64 . 1 1 17 17 ARG N N 15 122.567 0.2 . 1 . . . . . 367 ARG N . 27702 1 65 . 1 1 18 18 ASN H H 1 8.561 0.003 . 1 . . . . . 368 ASN H . 27702 1 66 . 1 1 18 18 ASN CA C 13 53.57647 0.6 . 1 . . . . . 368 ASN CA . 27702 1 67 . 1 1 18 18 ASN CB C 13 38.96954 0.6 . 1 . . . . . 368 ASN CB . 27702 1 68 . 1 1 18 18 ASN N N 15 120.123 0.15 . 1 . . . . . 368 ASN N . 27702 1 69 . 1 1 19 19 GLU H H 1 8.465 0.002 . 1 . . . . . 369 GLU H . 27702 1 70 . 1 1 19 19 GLU CA C 13 56.98868 0.6 . 1 . . . . . 369 GLU CA . 27702 1 71 . 1 1 19 19 GLU CB C 13 30.38129 0.6 . 1 . . . . . 369 GLU CB . 27702 1 72 . 1 1 19 19 GLU N N 15 121.728 0.16 . 1 . . . . . 369 GLU N . 27702 1 73 . 1 1 20 20 LEU H H 1 8.325 0.012 . 1 . . . . . 370 LEU H . 27702 1 74 . 1 1 20 20 LEU CA C 13 55.66116 0.6 . 1 . . . . . 370 LEU CA . 27702 1 75 . 1 1 20 20 LEU CB C 13 42.39209 0.6 . 1 . . . . . 370 LEU CB . 27702 1 76 . 1 1 20 20 LEU N N 15 123.307 0.18 . 1 . . . . . 370 LEU N . 27702 1 77 . 1 1 21 21 LYS H H 1 8.36 0.012 . 1 . . . . . 371 LYS H . 27702 1 78 . 1 1 21 21 LYS CA C 13 56.77642 0.6 . 1 . . . . . 371 LYS CA . 27702 1 79 . 1 1 21 21 LYS CB C 13 33.13632 0.6 . 1 . . . . . 371 LYS CB . 27702 1 80 . 1 1 21 21 LYS N N 15 122.959 0.2 . 1 . . . . . 371 LYS N . 27702 1 81 . 1 1 22 22 ARG H H 1 8.441 0.006 . 1 . . . . . 372 ARG H . 27702 1 82 . 1 1 22 22 ARG CA C 13 56.61216 0.6 . 1 . . . . . 372 ARG CA . 27702 1 83 . 1 1 22 22 ARG CB C 13 30.98728 0.6 . 1 . . . . . 372 ARG CB . 27702 1 84 . 1 1 22 22 ARG N N 15 122.925 0.16 . 1 . . . . . 372 ARG N . 27702 1 85 . 1 1 23 23 SER H H 1 8.406 0.004 . 1 . . . . . 373 SER H . 27702 1 86 . 1 1 23 23 SER CA C 13 58.6563 0.6 . 1 . . . . . 373 SER CA . 27702 1 87 . 1 1 23 23 SER CB C 13 64.0966 0.6 . 1 . . . . . 373 SER CB . 27702 1 88 . 1 1 23 23 SER N N 15 117.536 0.16 . 1 . . . . . 373 SER N . 27702 1 89 . 1 1 24 24 PHE H H 1 8.37 0.012 . 1 . . . . . 374 PHE H . 27702 1 90 . 1 1 24 24 PHE CA C 13 58.78345 0.6 . 1 . . . . . 374 PHE CA . 27702 1 91 . 1 1 24 24 PHE CB C 13 39.95716 0.6 . 1 . . . . . 374 PHE CB . 27702 1 92 . 1 1 24 24 PHE N N 15 123.184 0.19 . 1 . . . . . 374 PHE N . 27702 1 93 . 1 1 25 25 PHE H H 1 8.173 0.001 . 1 . . . . . 375 PHE H . 27702 1 94 . 1 1 25 25 PHE CA C 13 57.97923 0.6 . 1 . . . . . 375 PHE CA . 27702 1 95 . 1 1 25 25 PHE CB C 13 39.92747 0.6 . 1 . . . . . 375 PHE CB . 27702 1 96 . 1 1 25 25 PHE N N 15 121.551 0.11 . 1 . . . . . 375 PHE N . 27702 1 97 . 1 1 26 26 ALA H H 1 8.264 0.007 . 1 . . . . . 376 ALA H . 27702 1 98 . 1 1 26 26 ALA CA C 13 52.72194 0.6 . 1 . . . . . 376 ALA CA . 27702 1 99 . 1 1 26 26 ALA CB C 13 19.64179 0.6 . 1 . . . . . 376 ALA CB . 27702 1 100 . 1 1 26 26 ALA N N 15 125.682 0.12 . 1 . . . . . 376 ALA N . 27702 1 101 . 1 1 27 27 LEU H H 1 8.267 0.004 . 1 . . . . . 377 LEU H . 27702 1 102 . 1 1 27 27 LEU CA C 13 55.86101 0.6 . 1 . . . . . 377 LEU CA . 27702 1 103 . 1 1 27 27 LEU CB C 13 42.33272 0.6 . 1 . . . . . 377 LEU CB . 27702 1 104 . 1 1 27 27 LEU N N 15 122.03 0.17 . 1 . . . . . 377 LEU N . 27702 1 105 . 1 1 28 28 ARG H H 1 8.354 0.009 . 1 . . . . . 378 ARG H . 27702 1 106 . 1 1 28 28 ARG CA C 13 56.361 0.6 . 1 . . . . . 378 ARG CA . 27702 1 107 . 1 1 28 28 ARG CB C 13 31.02877 0.6 . 1 . . . . . 378 ARG CB . 27702 1 108 . 1 1 28 28 ARG N N 15 121.419 0.14 . 1 . . . . . 378 ARG N . 27702 1 109 . 1 1 29 29 ASP H H 1 8.424 0.006 . 1 . . . . . 379 ASP H . 27702 1 110 . 1 1 29 29 ASP CA C 13 54.68757 0.6 . 1 . . . . . 379 ASP CA . 27702 1 111 . 1 1 29 29 ASP CB C 13 41.26657 0.6 . 1 . . . . . 379 ASP CB . 27702 1 112 . 1 1 29 29 ASP N N 15 121.316 0.17 . 1 . . . . . 379 ASP N . 27702 1 113 . 1 1 30 30 GLN H H 1 8.326 0.01 . 1 . . . . . 380 GLN H . 27702 1 114 . 1 1 30 30 GLN CA C 13 55.95031 0.6 . 1 . . . . . 380 GLN CA . 27702 1 115 . 1 1 30 30 GLN CB C 13 29.87618 0.6 . 1 . . . . . 380 GLN CB . 27702 1 116 . 1 1 30 30 GLN N N 15 120.592 0.14 . 1 . . . . . 380 GLN N . 27702 1 117 . 1 1 31 31 ILE H H 1 8.375 0.006 . 1 . . . . . 381 ILE H . 27702 1 118 . 1 1 31 31 ILE CA C 13 59.12615 0.6 . 1 . . . . . 381 ILE CA . 27702 1 119 . 1 1 31 31 ILE CB C 13 38.48972 0.6 . 1 . . . . . 381 ILE CB . 27702 1 120 . 1 1 31 31 ILE N N 15 124.403 0.03 . 1 . . . . . 381 ILE N . 27702 1 121 . 1 1 33 33 GLU H H 1 8.645 0.005 . 1 . . . . . 383 GLU H . 27702 1 122 . 1 1 33 33 GLU CA C 13 57.03788 0.6 . 1 . . . . . 383 GLU CA . 27702 1 123 . 1 1 33 33 GLU CB C 13 30.30511 0.6 . 1 . . . . . 383 GLU CB . 27702 1 124 . 1 1 33 33 GLU N N 15 122.065 0.13 . 1 . . . . . 383 GLU N . 27702 1 125 . 1 1 34 34 LEU H H 1 8.401 0.004 . 1 . . . . . 384 LEU H . 27702 1 126 . 1 1 34 34 LEU CA C 13 55.53725 0.6 . 1 . . . . . 384 LEU CA . 27702 1 127 . 1 1 34 34 LEU CB C 13 42.42494 0.6 . 1 . . . . . 384 LEU CB . 27702 1 128 . 1 1 34 34 LEU N N 15 123.486 0.1 . 1 . . . . . 384 LEU N . 27702 1 129 . 1 1 35 35 GLU H H 1 8.562 0 . 1 . . . . . 385 GLU H . 27702 1 130 . 1 1 35 35 GLU CA C 13 56.67177 0.6 . 1 . . . . . 385 GLU CA . 27702 1 131 . 1 1 35 35 GLU CB C 13 30.44687 0.6 . 1 . . . . . 385 GLU CB . 27702 1 132 . 1 1 35 35 GLU N N 15 122.06 0.09 . 1 . . . . . 385 GLU N . 27702 1 133 . 1 1 36 36 ASN H H 1 8.608 0.004 . 1 . . . . . 386 ASN H . 27702 1 134 . 1 1 36 36 ASN CA C 13 53.53538 0.6 . 1 . . . . . 386 ASN CA . 27702 1 135 . 1 1 36 36 ASN CB C 13 39.02824 0.6 . 1 . . . . . 386 ASN CB . 27702 1 136 . 1 1 36 36 ASN N N 15 120.248 0.09 . 1 . . . . . 386 ASN N . 27702 1 137 . 1 1 37 37 ASN H H 1 8.59 0.006 . 1 . . . . . 387 ASN H . 27702 1 138 . 1 1 37 37 ASN CA C 13 53.47657 0.6 . 1 . . . . . 387 ASN CA . 27702 1 139 . 1 1 37 37 ASN CB C 13 39.10052 0.6 . 1 . . . . . 387 ASN CB . 27702 1 140 . 1 1 37 37 ASN N N 15 120.027 0.08 . 1 . . . . . 387 ASN N . 27702 1 141 . 1 1 38 38 GLU H H 1 8.435 0.001 . 1 . . . . . 388 GLU H . 27702 1 142 . 1 1 38 38 GLU CA C 13 56.87219 0.6 . 1 . . . . . 388 GLU CA . 27702 1 143 . 1 1 38 38 GLU CB C 13 30.37558 0.6 . 1 . . . . . 388 GLU CB . 27702 1 144 . 1 1 38 38 GLU N N 15 121.455 0.11 . 1 . . . . . 388 GLU N . 27702 1 145 . 1 1 39 39 LYS H H 1 8.407 0.003 . 1 . . . . . 389 LYS H . 27702 1 146 . 1 1 39 39 LYS CA C 13 56.498 0.6 . 1 . . . . . 389 LYS CA . 27702 1 147 . 1 1 39 39 LYS CB C 13 33.26631 0.6 . 1 . . . . . 389 LYS CB . 27702 1 148 . 1 1 39 39 LYS N N 15 122.701 0.1 . 1 . . . . . 389 LYS N . 27702 1 149 . 1 1 40 40 ALA H H 1 8.449 0.002 . 1 . . . . . 390 ALA H . 27702 1 150 . 1 1 40 40 ALA CA C 13 50.8304 0.6 . 1 . . . . . 390 ALA CA . 27702 1 151 . 1 1 40 40 ALA CB C 13 18.16318 0.6 . 1 . . . . . 390 ALA CB . 27702 1 152 . 1 1 40 40 ALA N N 15 127.09 0.09 . 1 . . . . . 390 ALA N . 27702 1 153 . 1 1 42 42 LYS H H 1 8.553 0.001 . 1 . . . . . 392 LYS H . 27702 1 154 . 1 1 42 42 LYS CA C 13 56.72266 0.6 . 1 . . . . . 392 LYS CA . 27702 1 155 . 1 1 42 42 LYS CB C 13 33.09587 0.6 . 1 . . . . . 392 LYS CB . 27702 1 156 . 1 1 42 42 LYS N N 15 123.155 0.14 . 1 . . . . . 392 LYS N . 27702 1 157 . 1 1 43 43 VAL H H 1 8.324 0.007 . 1 . . . . . 393 VAL H . 27702 1 158 . 1 1 43 43 VAL CA C 13 62.7087 0.6 . 1 . . . . . 393 VAL CA . 27702 1 159 . 1 1 43 43 VAL CB C 13 33.08337 0.6 . 1 . . . . . 393 VAL CB . 27702 1 160 . 1 1 43 43 VAL N N 15 123.352 0.03 . 1 . . . . . 393 VAL N . 27702 1 161 . 1 1 44 44 VAL H H 1 8.396 0.016 . 1 . . . . . 394 VAL H . 27702 1 162 . 1 1 44 44 VAL CA C 13 62.54173 0.6 . 1 . . . . . 394 VAL CA . 27702 1 163 . 1 1 44 44 VAL CB C 13 32.97514 0.6 . 1 . . . . . 394 VAL CB . 27702 1 164 . 1 1 44 44 VAL N N 15 126.61 0.03 . 1 . . . . . 394 VAL N . 27702 1 165 . 1 1 45 45 ILE H H 1 8.442 0.011 . 1 . . . . . 395 ILE H . 27702 1 166 . 1 1 45 45 ILE CA C 13 61.05911 0.6 . 1 . . . . . 395 ILE CA . 27702 1 167 . 1 1 45 45 ILE CB C 13 38.62581 0.6 . 1 . . . . . 395 ILE CB . 27702 1 168 . 1 1 45 45 ILE N N 15 127.455 0.04 . 1 . . . . . 395 ILE N . 27702 1 169 . 1 1 46 46 LEU H H 1 8.496 0.008 . 1 . . . . . 396 LEU H . 27702 1 170 . 1 1 46 46 LEU CA C 13 54.93958 0.6 . 1 . . . . . 396 LEU CA . 27702 1 171 . 1 1 46 46 LEU CB C 13 42.41396 0.6 . 1 . . . . . 396 LEU CB . 27702 1 172 . 1 1 46 46 LEU N N 15 128.452 0.08 . 1 . . . . . 396 LEU N . 27702 1 173 . 1 1 47 47 LYS H H 1 8.439 0.005 . 1 . . . . . 397 LYS H . 27702 1 174 . 1 1 47 47 LYS CA C 13 56.5889 0.6 . 1 . . . . . 397 LYS CA . 27702 1 175 . 1 1 47 47 LYS CB C 13 33.2165 0.6 . 1 . . . . . 397 LYS CB . 27702 1 176 . 1 1 47 47 LYS N N 15 123.813 0.07 . 1 . . . . . 397 LYS N . 27702 1 177 . 1 1 48 48 LYS H H 1 8.475 0.007 . 1 . . . . . 398 LYS H . 27702 1 178 . 1 1 48 48 LYS CA C 13 56.65123 0.6 . 1 . . . . . 398 LYS CA . 27702 1 179 . 1 1 48 48 LYS CB C 13 33.22508 0.6 . 1 . . . . . 398 LYS CB . 27702 1 180 . 1 1 48 48 LYS N N 15 123.869 0.05 . 1 . . . . . 398 LYS N . 27702 1 181 . 1 1 49 49 ALA H H 1 8.556 0.004 . 1 . . . . . 399 ALA H . 27702 1 182 . 1 1 49 49 ALA CA C 13 53.06643 0.6 . 1 . . . . . 399 ALA CA . 27702 1 183 . 1 1 49 49 ALA CB C 13 19.53743 0.6 . 1 . . . . . 399 ALA CB . 27702 1 184 . 1 1 49 49 ALA N N 15 126.292 0.09 . 1 . . . . . 399 ALA N . 27702 1 185 . 1 1 50 50 THR H H 1 8.137 0.002 . 1 . . . . . 400 THR H . 27702 1 186 . 1 1 50 50 THR CA C 13 62.04184 0.6 . 1 . . . . . 400 THR CA . 27702 1 187 . 1 1 50 50 THR CB C 13 70.15633 0.6 . 1 . . . . . 400 THR CB . 27702 1 188 . 1 1 50 50 THR N N 15 114.043 0.06 . 1 . . . . . 400 THR N . 27702 1 189 . 1 1 51 51 ALA H H 1 8.401 0.004 . 1 . . . . . 401 ALA H . 27702 1 190 . 1 1 51 51 ALA CA C 13 53.06711 0.6 . 1 . . . . . 401 ALA CA . 27702 1 191 . 1 1 51 51 ALA CB C 13 19.40593 0.6 . 1 . . . . . 401 ALA CB . 27702 1 192 . 1 1 51 51 ALA N N 15 126.457 0.1 . 1 . . . . . 401 ALA N . 27702 1 193 . 1 1 52 52 TYR H H 1 8.227 0.006 . 1 . . . . . 402 TYR H . 27702 1 194 . 1 1 52 52 TYR CA C 13 58.71752 0.6 . 1 . . . . . 402 TYR CA . 27702 1 195 . 1 1 52 52 TYR CB C 13 38.9742 0.6 . 1 . . . . . 402 TYR CB . 27702 1 196 . 1 1 52 52 TYR N N 15 120.507 0.11 . 1 . . . . . 402 TYR N . 27702 1 197 . 1 1 53 53 ILE H H 1 8.121 0.005 . 1 . . . . . 403 ILE H . 27702 1 198 . 1 1 53 53 ILE CA C 13 61.59892 0.6 . 1 . . . . . 403 ILE CA . 27702 1 199 . 1 1 53 53 ILE CB C 13 38.85117 0.6 . 1 . . . . . 403 ILE CB . 27702 1 200 . 1 1 53 53 ILE N N 15 123.507 0.08 . 1 . . . . . 403 ILE N . 27702 1 201 . 1 1 54 54 LEU H H 1 8.324 0.002 . 1 . . . . . 404 LEU H . 27702 1 202 . 1 1 54 54 LEU CA C 13 55.80895 0.6 . 1 . . . . . 404 LEU CA . 27702 1 203 . 1 1 54 54 LEU CB C 13 42.2552 0.6 . 1 . . . . . 404 LEU CB . 27702 1 204 . 1 1 54 54 LEU N N 15 126.169 0.17 . 1 . . . . . 404 LEU N . 27702 1 205 . 1 1 55 55 SER H H 1 8.358 0.002 . 1 . . . . . 405 SER H . 27702 1 206 . 1 1 55 55 SER CA C 13 58.79095 0.6 . 1 . . . . . 405 SER CA . 27702 1 207 . 1 1 55 55 SER CB C 13 64.17751 0.6 . 1 . . . . . 405 SER CB . 27702 1 208 . 1 1 55 55 SER N N 15 117.93 0.11 . 1 . . . . . 405 SER N . 27702 1 209 . 1 1 56 56 VAL H H 1 8.259 0.001 . 1 . . . . . 406 VAL H . 27702 1 210 . 1 1 56 56 VAL CA C 13 63.10169 0.6 . 1 . . . . . 406 VAL CA . 27702 1 211 . 1 1 56 56 VAL CB C 13 32.7306 0.6 . 1 . . . . . 406 VAL CB . 27702 1 212 . 1 1 56 56 VAL N N 15 122.371 0.03 . 1 . . . . . 406 VAL N . 27702 1 213 . 1 1 57 57 GLN H H 1 8.464 0.004 . 1 . . . . . 407 GLN H . 27702 1 214 . 1 1 57 57 GLN CA C 13 56.5992 0.6 . 1 . . . . . 407 GLN CA . 27702 1 215 . 1 1 57 57 GLN CB C 13 29.4977 0.6 . 1 . . . . . 407 GLN CB . 27702 1 216 . 1 1 57 57 GLN N N 15 123.387 0.13 . 1 . . . . . 407 GLN N . 27702 1 217 . 1 1 58 58 ALA H H 1 8.374 0.005 . 1 . . . . . 408 ALA H . 27702 1 218 . 1 1 58 58 ALA CA C 13 53.26022 0.6 . 1 . . . . . 408 ALA CA . 27702 1 219 . 1 1 58 58 ALA CB C 13 19.42113 0.6 . 1 . . . . . 408 ALA CB . 27702 1 220 . 1 1 58 58 ALA N N 15 125.224 0.11 . 1 . . . . . 408 ALA N . 27702 1 221 . 1 1 59 59 GLU H H 1 8.448 0 . 1 . . . . . 409 GLU H . 27702 1 222 . 1 1 59 59 GLU CA C 13 57.22926 0.6 . 1 . . . . . 409 GLU CA . 27702 1 223 . 1 1 59 59 GLU CB C 13 30.35392 0.6 . 1 . . . . . 409 GLU CB . 27702 1 224 . 1 1 59 59 GLU N N 15 120.408 0.1 . 1 . . . . . 409 GLU N . 27702 1 225 . 1 1 60 60 GLU H H 1 8.473 0 . 1 . . . . . 410 GLU H . 27702 1 226 . 1 1 60 60 GLU CA C 13 56.99646 0.6 . 1 . . . . . 410 GLU CA . 27702 1 227 . 1 1 60 60 GLU CB C 13 30.33592 0.6 . 1 . . . . . 410 GLU CB . 27702 1 228 . 1 1 60 60 GLU N N 15 121.72 0.12 . 1 . . . . . 410 GLU N . 27702 1 229 . 1 1 61 61 GLN H H 1 8.439 0.007 . 1 . . . . . 411 GLN H . 27702 1 230 . 1 1 61 61 GLN CA C 13 56.4155 0.6 . 1 . . . . . 411 GLN CA . 27702 1 231 . 1 1 61 61 GLN CB C 13 29.69188 0.6 . 1 . . . . . 411 GLN CB . 27702 1 232 . 1 1 61 61 GLN N N 15 121.433 0.18 . 1 . . . . . 411 GLN N . 27702 1 233 . 1 1 62 62 LYS H H 1 8.375 0.01 . 1 . . . . . 412 LYS H . 27702 1 234 . 1 1 62 62 LYS CA C 13 56.92808 0.6 . 1 . . . . . 412 LYS CA . 27702 1 235 . 1 1 62 62 LYS CB C 13 33.08807 0.6 . 1 . . . . . 412 LYS CB . 27702 1 236 . 1 1 62 62 LYS N N 15 123.185 0.14 . 1 . . . . . 412 LYS N . 27702 1 237 . 1 1 63 63 LEU H H 1 8.353 0.01 . 1 . . . . . 413 LEU H . 27702 1 238 . 1 1 63 63 LEU CA C 13 56.07806 0.6 . 1 . . . . . 413 LEU CA . 27702 1 239 . 1 1 63 63 LEU CB C 13 42.33276 0.6 . 1 . . . . . 413 LEU CB . 27702 1 240 . 1 1 63 63 LEU N N 15 123.914 0.23 . 1 . . . . . 413 LEU N . 27702 1 241 . 1 1 64 64 ILE H H 1 8.278 0.009 . 1 . . . . . 414 ILE H . 27702 1 242 . 1 1 64 64 ILE CA C 13 61.69618 0.6 . 1 . . . . . 414 ILE CA . 27702 1 243 . 1 1 64 64 ILE CB C 13 38.84819 0.6 . 1 . . . . . 414 ILE CB . 27702 1 244 . 1 1 64 64 ILE N N 15 122.912 0.15 . 1 . . . . . 414 ILE N . 27702 1 245 . 1 1 65 65 SER H H 1 8.662 0.022 . 1 . . . . . 415 SER H . 27702 1 246 . 1 1 65 65 SER CA C 13 58.76112 0.6 . 1 . . . . . 415 SER CA . 27702 1 247 . 1 1 65 65 SER CB C 13 64.36399 0.6 . 1 . . . . . 415 SER CB . 27702 1 248 . 1 1 65 65 SER N N 15 120.849 0.08 . 1 . . . . . 415 SER N . 27702 1 249 . 1 1 66 66 GLU H H 1 8.678 0.009 . 1 . . . . . 416 GLU H . 27702 1 250 . 1 1 66 66 GLU CA C 13 58.24913 0.6 . 1 . . . . . 416 GLU CA . 27702 1 251 . 1 1 66 66 GLU CB C 13 29.91698 0.6 . 1 . . . . . 416 GLU CB . 27702 1 252 . 1 1 66 66 GLU N N 15 123.414 0.15 . 1 . . . . . 416 GLU N . 27702 1 253 . 1 1 67 67 GLU H H 1 8.502 0.012 . 1 . . . . . 417 GLU H . 27702 1 254 . 1 1 67 67 GLU CA C 13 57.89394 0.6 . 1 . . . . . 417 GLU CA . 27702 1 255 . 1 1 67 67 GLU CB C 13 29.93013 0.6 . 1 . . . . . 417 GLU CB . 27702 1 256 . 1 1 67 67 GLU N N 15 120.162 0.11 . 1 . . . . . 417 GLU N . 27702 1 257 . 1 1 68 68 ASP H H 1 8.3 0.011 . 1 . . . . . 418 ASP H . 27702 1 258 . 1 1 68 68 ASP CA C 13 55.68084 0.6 . 1 . . . . . 418 ASP CA . 27702 1 259 . 1 1 68 68 ASP CB C 13 40.92886 0.6 . 1 . . . . . 418 ASP CB . 27702 1 260 . 1 1 68 68 ASP N N 15 121.055 0.1 . 1 . . . . . 418 ASP N . 27702 1 261 . 1 1 69 69 LEU H H 1 8.121 0.004 . 1 . . . . . 419 LEU H . 27702 1 262 . 1 1 69 69 LEU CA C 13 56.29711 0.6 . 1 . . . . . 419 LEU CA . 27702 1 263 . 1 1 69 69 LEU CB C 13 42.22705 0.6 . 1 . . . . . 419 LEU CB . 27702 1 264 . 1 1 69 69 LEU N N 15 122.359 0.09 . 1 . . . . . 419 LEU N . 27702 1 265 . 1 1 70 70 LEU H H 1 8.179 0.015 . 1 . . . . . 420 LEU H . 27702 1 266 . 1 1 70 70 LEU CA C 13 56.26689 0.6 . 1 . . . . . 420 LEU CA . 27702 1 267 . 1 1 70 70 LEU CB C 13 42.13792 0.6 . 1 . . . . . 420 LEU CB . 27702 1 268 . 1 1 70 70 LEU N N 15 121.592 0.33 . 1 . . . . . 420 LEU N . 27702 1 269 . 1 1 71 71 ARG H H 1 8.143 0.029 . 1 . . . . . 421 ARG H . 27702 1 270 . 1 1 71 71 ARG CA C 13 57.42452 0.6 . 1 . . . . . 421 ARG CA . 27702 1 271 . 1 1 71 71 ARG CB C 13 30.69691 0.6 . 1 . . . . . 421 ARG CB . 27702 1 272 . 1 1 71 71 ARG N N 15 121.427 0.31 . 1 . . . . . 421 ARG N . 27702 1 273 . 1 1 72 72 LYS H H 1 8.304 0.028 . 1 . . . . . 422 LYS H . 27702 1 274 . 1 1 72 72 LYS CA C 13 57.44625 0.6 . 1 . . . . . 422 LYS CA . 27702 1 275 . 1 1 72 72 LYS CB C 13 32.9763 0.6 . 1 . . . . . 422 LYS CB . 27702 1 276 . 1 1 72 72 LYS N N 15 122.307 0.37 . 1 . . . . . 422 LYS N . 27702 1 277 . 1 1 73 73 ARG H H 1 8.393 0.025 . 1 . . . . . 423 ARG H . 27702 1 278 . 1 1 73 73 ARG CA C 13 57.16506 0.6 . 1 . . . . . 423 ARG CA . 27702 1 279 . 1 1 73 73 ARG CB C 13 30.69937 0.6 . 1 . . . . . 423 ARG CB . 27702 1 280 . 1 1 73 73 ARG N N 15 122.266 0.35 . 1 . . . . . 423 ARG N . 27702 1 281 . 1 1 74 74 ARG H H 1 8.435 0.023 . 1 . . . . . 424 ARG H . 27702 1 282 . 1 1 74 74 ARG CA C 13 57.06294 0.6 . 1 . . . . . 424 ARG CA . 27702 1 283 . 1 1 74 74 ARG CB C 13 30.68732 0.6 . 1 . . . . . 424 ARG CB . 27702 1 284 . 1 1 74 74 ARG N N 15 122.325 0.35 . 1 . . . . . 424 ARG N . 27702 1 285 . 1 1 75 75 GLU H H 1 8.495 0.02 . 1 . . . . . 425 GLU H . 27702 1 286 . 1 1 75 75 GLU CA C 13 57.50474 0.6 . 1 . . . . . 425 GLU CA . 27702 1 287 . 1 1 75 75 GLU CB C 13 30.22705 0.6 . 1 . . . . . 425 GLU CB . 27702 1 288 . 1 1 75 75 GLU N N 15 122.161 0.31 . 1 . . . . . 425 GLU N . 27702 1 289 . 1 1 76 76 GLN H H 1 8.47 0.026 . 1 . . . . . 426 GLN H . 27702 1 290 . 1 1 76 76 GLN CA C 13 56.88784 0.6 . 1 . . . . . 426 GLN CA . 27702 1 291 . 1 1 76 76 GLN CB C 13 29.75869 0.6 . 1 . . . . . 426 GLN CB . 27702 1 292 . 1 1 76 76 GLN N N 15 121.677 0.38 . 1 . . . . . 426 GLN N . 27702 1 293 . 1 1 77 77 LEU H H 1 8.304 0.023 . 1 . . . . . 427 LEU H . 27702 1 294 . 1 1 77 77 LEU CA C 13 55.7895 0.6 . 1 . . . . . 427 LEU CA . 27702 1 295 . 1 1 77 77 LEU CB C 13 42.37865 0.6 . 1 . . . . . 427 LEU CB . 27702 1 296 . 1 1 77 77 LEU N N 15 123.645 0.31 . 1 . . . . . 427 LEU N . 27702 1 297 . 1 1 78 78 LYS H H 1 8.324 0.025 . 1 . . . . . 428 LYS H . 27702 1 298 . 1 1 78 78 LYS CA C 13 57.093 0.6 . 1 . . . . . 428 LYS CA . 27702 1 299 . 1 1 78 78 LYS CB C 13 33.11704 0.6 . 1 . . . . . 428 LYS CB . 27702 1 300 . 1 1 78 78 LYS N N 15 121.954 0.25 . 1 . . . . . 428 LYS N . 27702 1 301 . 1 1 79 79 HIS H H 1 8.473 0.074 . 1 . . . . . 429 HIS H . 27702 1 302 . 1 1 79 79 HIS CA C 13 56.12247 0.6 . 1 . . . . . 429 HIS CA . 27702 1 303 . 1 1 79 79 HIS CB C 13 29.59132 0.6 . 1 . . . . . 429 HIS CB . 27702 1 304 . 1 1 79 79 HIS N N 15 119.704 0.03 . 1 . . . . . 429 HIS N . 27702 1 305 . 1 1 80 80 LYS H H 1 8.468 0.052 . 1 . . . . . 430 LYS H . 27702 1 306 . 1 1 80 80 LYS CA C 13 57.00219 0.6 . 1 . . . . . 430 LYS CA . 27702 1 307 . 1 1 80 80 LYS CB C 13 33.1054 0.6 . 1 . . . . . 430 LYS CB . 27702 1 308 . 1 1 80 80 LYS N N 15 123.42 0.32 . 1 . . . . . 430 LYS N . 27702 1 309 . 1 1 81 81 LEU H H 1 8.471 0.006 . 1 . . . . . 431 LEU H . 27702 1 310 . 1 1 81 81 LEU CA C 13 55.78244 0.6 . 1 . . . . . 431 LEU CA . 27702 1 311 . 1 1 81 81 LEU CB C 13 42.34925 0.6 . 1 . . . . . 431 LEU CB . 27702 1 312 . 1 1 81 81 LEU N N 15 123.738 0.33 . 1 . . . . . 431 LEU N . 27702 1 313 . 1 1 82 82 GLU H H 1 8.509 0.016 . 1 . . . . . 432 GLU H . 27702 1 314 . 1 1 82 82 GLU CA C 13 56.9555 0.6 . 1 . . . . . 432 GLU CA . 27702 1 315 . 1 1 82 82 GLU CB C 13 30.36569 0.6 . 1 . . . . . 432 GLU CB . 27702 1 316 . 1 1 82 82 GLU N N 15 122.506 0.27 . 1 . . . . . 432 GLU N . 27702 1 317 . 1 1 83 83 GLN H H 1 8.479 0.014 . 1 . . . . . 433 GLN H . 27702 1 318 . 1 1 83 83 GLN CA C 13 56.45404 0.6 . 1 . . . . . 433 GLN CA . 27702 1 319 . 1 1 83 83 GLN CB C 13 29.86841 0.6 . 1 . . . . . 433 GLN CB . 27702 1 320 . 1 1 83 83 GLN N N 15 121.861 0.18 . 1 . . . . . 433 GLN N . 27702 1 321 . 1 1 84 84 LEU H H 1 8.415 0.017 . 1 . . . . . 434 LEU H . 27702 1 322 . 1 1 84 84 LEU CA C 13 55.83523 0.6 . 1 . . . . . 434 LEU CA . 27702 1 323 . 1 1 84 84 LEU CB C 13 42.32584 0.6 . 1 . . . . . 434 LEU CB . 27702 1 324 . 1 1 84 84 LEU N N 15 124.175 0.27 . 1 . . . . . 434 LEU N . 27702 1 325 . 1 1 85 85 ARG H H 1 8.457 0.014 . 1 . . . . . 435 ARG H . 27702 1 326 . 1 1 85 85 ARG CA C 13 56.50116 0.6 . 1 . . . . . 435 ARG CA . 27702 1 327 . 1 1 85 85 ARG CB C 13 30.92181 0.6 . 1 . . . . . 435 ARG CB . 27702 1 328 . 1 1 85 85 ARG N N 15 121.965 0.17 . 1 . . . . . 435 ARG N . 27702 1 329 . 1 1 86 86 ASN H H 1 8.566 0.01 . 1 . . . . . 436 ASN H . 27702 1 330 . 1 1 86 86 ASN CA C 13 53.49461 0.6 . 1 . . . . . 436 ASN CA . 27702 1 331 . 1 1 86 86 ASN CB C 13 39.27508 0.6 . 1 . . . . . 436 ASN CB . 27702 1 332 . 1 1 86 86 ASN N N 15 120.505 0.16 . 1 . . . . . 436 ASN N . 27702 1 333 . 1 1 87 87 SER H H 1 8.016 0.006 . 1 . . . . . 437 SER H . 27702 1 334 . 1 1 87 87 SER CA C 13 60.38319 0.6 . 1 . . . . . 437 SER CA . 27702 1 335 . 1 1 87 87 SER CB C 13 64.85299 0.6 . 1 . . . . . 437 SER CB . 27702 1 336 . 1 1 87 87 SER N N 15 121.616 0.1 . 1 . . . . . 437 SER N . 27702 1 stop_ save_