data_11511 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11511 _Entry.Title ; acidic intrinsically disordered region of SSRP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-21 _Entry.Accession_date 2012-09-23 _Entry.Last_release_date 2012-09-23 _Entry.Original_release_date 2012-09-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.31 _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 Manami Hashimoto . . . . 11511 2 Noriyuki Kodera . . . . 11511 3 Yasuo Tsunaka . . . . 11511 4 Toshio Ando . . . . 11511 5 Kosuke Morikawa . . . . 11511 6 Shin-ichi Tate . . . . 11511 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11511 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 225 11511 '15N chemical shifts' 79 11511 '1H chemical shifts' 79 11511 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 1 . . 2018-12-18 . original BMRB . 11511 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11511 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.bpj.2013.04.007 _Citation.PubMed_ID 23708362 _Citation.Full_citation . _Citation.Title ; Phosphorylation-coupled intramolecular dynamics of unstructured regions in chromatin remodeler FACT. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 104 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-3495 _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 2222 _Citation.Page_last 2234 _Citation.Year 2013 _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 Manami Hashimoto . . . . 11511 1 2 Noriyuki Kodera . . . . 11511 1 3 Yasuo Tsunaka . . . . 11511 1 4 Masayuki Oda . . . . 11511 1 5 Mitsuru Tanimoto . . . . 11511 1 6 Toshio Ando . . . . 11511 1 7 Kosuke Morikawa . . . . 11511 1 8 Shin-ichi Tate . . . . 11511 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11511 _Assembly.ID 1 _Assembly.Name 'structure specific recognition protein 1' _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 polypeptide 1 $acidic_intrinsically_disordered_region_of_SSRP1 A . yes 'intrinsically disordered' no no . . . 11511 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_acidic_intrinsically_disordered_region_of_SSRP1 _Entity.Sf_category entity _Entity.Sf_framecode acidic_intrinsically_disordered_region_of_SSRP1 _Entity.Entry_ID 11511 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name acidic_intrinsically_disordered_region_of_SSRP1 _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 ; GSHMGYKDVDFGDSDNENEP DAYLARLKAEAREKEEDDDD GDSDEESTDEDFKPNENESD VAEEYDSNVESDSDDDSDAS GGGGDSDGA ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 430 GLY . 11511 1 2 431 SER . 11511 1 3 432 HIS . 11511 1 4 433 MET . 11511 1 5 434 GLY . 11511 1 6 435 TYR . 11511 1 7 436 LYS . 11511 1 8 437 ASP . 11511 1 9 438 VAL . 11511 1 10 439 ASP . 11511 1 11 440 PHE . 11511 1 12 441 GLY . 11511 1 13 442 ASP . 11511 1 14 443 SER . 11511 1 15 444 ASP . 11511 1 16 445 ASN . 11511 1 17 446 GLU . 11511 1 18 447 ASN . 11511 1 19 448 GLU . 11511 1 20 449 PRO . 11511 1 21 450 ASP . 11511 1 22 451 ALA . 11511 1 23 452 TYR . 11511 1 24 453 LEU . 11511 1 25 454 ALA . 11511 1 26 455 ARG . 11511 1 27 456 LEU . 11511 1 28 457 LYS . 11511 1 29 458 ALA . 11511 1 30 459 GLU . 11511 1 31 460 ALA . 11511 1 32 461 ARG . 11511 1 33 462 GLU . 11511 1 34 463 LYS . 11511 1 35 464 GLU . 11511 1 36 465 GLU . 11511 1 37 466 ASP . 11511 1 38 467 ASP . 11511 1 39 468 ASP . 11511 1 40 469 ASP . 11511 1 41 470 GLY . 11511 1 42 471 ASP . 11511 1 43 472 SER . 11511 1 44 473 ASP . 11511 1 45 474 GLU . 11511 1 46 475 GLU . 11511 1 47 476 SER . 11511 1 48 477 THR . 11511 1 49 478 ASP . 11511 1 50 479 GLU . 11511 1 51 480 ASP . 11511 1 52 481 PHE . 11511 1 53 482 LYS . 11511 1 54 483 PRO . 11511 1 55 484 ASN . 11511 1 56 485 GLU . 11511 1 57 486 ASN . 11511 1 58 487 GLU . 11511 1 59 488 SER . 11511 1 60 489 ASP . 11511 1 61 490 VAL . 11511 1 62 491 ALA . 11511 1 63 492 GLU . 11511 1 64 493 GLU . 11511 1 65 494 TYR . 11511 1 66 495 ASP . 11511 1 67 496 SER . 11511 1 68 497 ASN . 11511 1 69 498 VAL . 11511 1 70 499 GLU . 11511 1 71 500 SER . 11511 1 72 501 ASP . 11511 1 73 502 SER . 11511 1 74 503 ASP . 11511 1 75 504 ASP . 11511 1 76 505 ASP . 11511 1 77 506 SER . 11511 1 78 507 ASP . 11511 1 79 508 ALA . 11511 1 80 509 SER . 11511 1 81 510 GLY . 11511 1 82 511 GLY . 11511 1 83 512 GLY . 11511 1 84 513 GLY . 11511 1 85 514 ASP . 11511 1 86 515 SER . 11511 1 87 516 ASP . 11511 1 88 517 GLY . 11511 1 89 518 ALA . 11511 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 11511 1 . SER 2 2 11511 1 . HIS 3 3 11511 1 . MET 4 4 11511 1 . GLY 5 5 11511 1 . TYR 6 6 11511 1 . LYS 7 7 11511 1 . ASP 8 8 11511 1 . VAL 9 9 11511 1 . ASP 10 10 11511 1 . PHE 11 11 11511 1 . GLY 12 12 11511 1 . ASP 13 13 11511 1 . SER 14 14 11511 1 . ASP 15 15 11511 1 . ASN 16 16 11511 1 . GLU 17 17 11511 1 . ASN 18 18 11511 1 . GLU 19 19 11511 1 . PRO 20 20 11511 1 . ASP 21 21 11511 1 . ALA 22 22 11511 1 . TYR 23 23 11511 1 . LEU 24 24 11511 1 . ALA 25 25 11511 1 . ARG 26 26 11511 1 . LEU 27 27 11511 1 . LYS 28 28 11511 1 . ALA 29 29 11511 1 . GLU 30 30 11511 1 . ALA 31 31 11511 1 . ARG 32 32 11511 1 . GLU 33 33 11511 1 . LYS 34 34 11511 1 . GLU 35 35 11511 1 . GLU 36 36 11511 1 . ASP 37 37 11511 1 . ASP 38 38 11511 1 . ASP 39 39 11511 1 . ASP 40 40 11511 1 . GLY 41 41 11511 1 . ASP 42 42 11511 1 . SER 43 43 11511 1 . ASP 44 44 11511 1 . GLU 45 45 11511 1 . GLU 46 46 11511 1 . SER 47 47 11511 1 . THR 48 48 11511 1 . ASP 49 49 11511 1 . GLU 50 50 11511 1 . ASP 51 51 11511 1 . PHE 52 52 11511 1 . LYS 53 53 11511 1 . PRO 54 54 11511 1 . ASN 55 55 11511 1 . GLU 56 56 11511 1 . ASN 57 57 11511 1 . GLU 58 58 11511 1 . SER 59 59 11511 1 . ASP 60 60 11511 1 . VAL 61 61 11511 1 . ALA 62 62 11511 1 . GLU 63 63 11511 1 . GLU 64 64 11511 1 . TYR 65 65 11511 1 . ASP 66 66 11511 1 . SER 67 67 11511 1 . ASN 68 68 11511 1 . VAL 69 69 11511 1 . GLU 70 70 11511 1 . SER 71 71 11511 1 . ASP 72 72 11511 1 . SER 73 73 11511 1 . ASP 74 74 11511 1 . ASP 75 75 11511 1 . ASP 76 76 11511 1 . SER 77 77 11511 1 . ASP 78 78 11511 1 . ALA 79 79 11511 1 . SER 80 80 11511 1 . GLY 81 81 11511 1 . GLY 82 82 11511 1 . GLY 83 83 11511 1 . GLY 84 84 11511 1 . ASP 85 85 11511 1 . SER 86 86 11511 1 . ASP 87 87 11511 1 . GLY 88 88 11511 1 . ALA 89 89 11511 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 11511 _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 $acidic_intrinsically_disordered_region_of_SSRP1 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 11511 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 11511 _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 $acidic_intrinsically_disordered_region_of_SSRP1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . pET28a . . . 11511 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11511 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'acidic intrinsically disordered region of SSRP1' '[U-13C; U-15N]' . . 1 $acidic_intrinsically_disordered_region_of_SSRP1 . protein 1 . . mM . . . . 11511 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11511 1 3 D2O . . . . . . solvent 5 . . % . . . . 11511 1 4 H2O . . . . . . solvent 95 . . % . . . . 11511 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 11511 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 11511 1 pH 6.4 . pH 11511 1 pressure 1 . atm 11511 1 temperature 303 . K 11511 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11511 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11511 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11511 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11511 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11511 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11511 2 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 11511 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11511 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 11511 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 11511 _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 . . . . . . . . . . . . . . . . 11511 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11511 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11511 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11511 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11511 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11511 1 7 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11511 1 8 '3D HNCANNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11511 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 11511 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 11511 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 11511 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 11511 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 11511 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 11511 1 2 '3D HNCO' . . . 11511 1 3 '3D HNCA' . . . 11511 1 4 '3D CBCA(CO)NH' . . . 11511 1 5 '3D HNCACB' . . . 11511 1 6 '3D HN(CO)CA' . . . 11511 1 7 '3D HNCACO' . . . 11511 1 8 '3D HNCANNH' . . . 11511 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 4 4 MET CA C 13 55.659 0.000 . 1 . . . . . 433 MET CA . 11511 1 2 . 1 1 4 4 MET CB C 13 32.601 0.000 . 1 . . . . . 433 MET CB . 11511 1 3 . 1 1 5 5 GLY H H 1 8.372 0.000 . 1 . . . . . 434 GLY H . 11511 1 4 . 1 1 5 5 GLY C C 13 173.711 0.000 . 1 . . . . . 434 GLY C . 11511 1 5 . 1 1 5 5 GLY CA C 13 45.223 0.000 . 1 . . . . . 434 GLY CA . 11511 1 6 . 1 1 5 5 GLY N N 15 110.084 0.000 . 1 . . . . . 434 GLY N . 11511 1 7 . 1 1 6 6 TYR H H 1 7.952 0.000 . 1 . . . . . 435 TYR H . 11511 1 8 . 1 1 6 6 TYR C C 13 175.553 0.000 . 1 . . . . . 435 TYR C . 11511 1 9 . 1 1 6 6 TYR CA C 13 57.854 0.000 . 1 . . . . . 435 TYR CA . 11511 1 10 . 1 1 6 6 TYR CB C 13 38.914 0.000 . 1 . . . . . 435 TYR CB . 11511 1 11 . 1 1 6 6 TYR N N 15 119.948 0.000 . 1 . . . . . 435 TYR N . 11511 1 12 . 1 1 7 7 LYS H H 1 8.109 0.000 . 1 . . . . . 436 LYS H . 11511 1 13 . 1 1 7 7 LYS C C 13 175.622 0.000 . 1 . . . . . 436 LYS C . 11511 1 14 . 1 1 7 7 LYS CA C 13 56.147 0.000 . 1 . . . . . 436 LYS CA . 11511 1 15 . 1 1 7 7 LYS CB C 13 33.167 0.000 . 1 . . . . . 436 LYS CB . 11511 1 16 . 1 1 7 7 LYS N N 15 122.740 0.000 . 1 . . . . . 436 LYS N . 11511 1 17 . 1 1 8 8 ASP H H 1 8.220 0.000 . 1 . . . . . 437 ASP H . 11511 1 18 . 1 1 8 8 ASP C C 13 176.077 0.000 . 1 . . . . . 437 ASP C . 11511 1 19 . 1 1 8 8 ASP CA C 13 54.606 0.000 . 1 . . . . . 437 ASP CA . 11511 1 20 . 1 1 8 8 ASP CB C 13 41.150 0.000 . 1 . . . . . 437 ASP CB . 11511 1 21 . 1 1 8 8 ASP N N 15 121.593 0.000 . 1 . . . . . 437 ASP N . 11511 1 22 . 1 1 9 9 VAL H H 1 7.870 0.000 . 1 . . . . . 438 VAL H . 11511 1 23 . 1 1 9 9 VAL C C 13 175.345 0.000 . 1 . . . . . 438 VAL C . 11511 1 24 . 1 1 9 9 VAL CA C 13 62.052 0.000 . 1 . . . . . 438 VAL CA . 11511 1 25 . 1 1 9 9 VAL CB C 13 32.834 0.000 . 1 . . . . . 438 VAL CB . 11511 1 26 . 1 1 9 9 VAL N N 15 118.588 0.000 . 1 . . . . . 438 VAL N . 11511 1 27 . 1 1 10 10 ASP H H 1 8.194 0.000 . 1 . . . . . 439 ASP H . 11511 1 28 . 1 1 10 10 ASP C C 13 175.914 0.000 . 1 . . . . . 439 ASP C . 11511 1 29 . 1 1 10 10 ASP CA C 13 54.075 0.000 . 1 . . . . . 439 ASP CA . 11511 1 30 . 1 1 10 10 ASP CB C 13 41.335 0.000 . 1 . . . . . 439 ASP CB . 11511 1 31 . 1 1 10 10 ASP N N 15 123.010 0.000 . 1 . . . . . 439 ASP N . 11511 1 32 . 1 1 11 11 PHE H H 1 8.114 0.000 . 1 . . . . . 440 PHE H . 11511 1 33 . 1 1 11 11 PHE C C 13 176.300 0.000 . 1 . . . . . 440 PHE C . 11511 1 34 . 1 1 11 11 PHE CA C 13 57.959 0.000 . 1 . . . . . 440 PHE CA . 11511 1 35 . 1 1 11 11 PHE CB C 13 39.513 0.000 . 1 . . . . . 440 PHE CB . 11511 1 36 . 1 1 11 11 PHE N N 15 121.067 0.000 . 1 . . . . . 440 PHE N . 11511 1 37 . 1 1 12 12 GLY H H 1 8.323 0.000 . 1 . . . . . 441 GLY H . 11511 1 38 . 1 1 12 12 GLY C C 13 173.838 0.000 . 1 . . . . . 441 GLY C . 11511 1 39 . 1 1 12 12 GLY CA C 13 45.428 0.000 . 1 . . . . . 441 GLY CA . 11511 1 40 . 1 1 12 12 GLY N N 15 110.124 0.000 . 1 . . . . . 441 GLY N . 11511 1 41 . 1 1 13 13 ASP H H 1 8.142 0.000 . 1 . . . . . 442 ASP H . 11511 1 42 . 1 1 13 13 ASP C C 13 176.474 0.000 . 1 . . . . . 442 ASP C . 11511 1 43 . 1 1 13 13 ASP CA C 13 54.289 0.000 . 1 . . . . . 442 ASP CA . 11511 1 44 . 1 1 13 13 ASP CB C 13 41.290 0.000 . 1 . . . . . 442 ASP CB . 11511 1 45 . 1 1 13 13 ASP N N 15 120.536 0.000 . 1 . . . . . 442 ASP N . 11511 1 46 . 1 1 14 14 SER H H 1 8.228 0.000 . 1 . . . . . 443 SER H . 11511 1 47 . 1 1 14 14 SER CA C 13 58.698 0.000 . 1 . . . . . 443 SER CA . 11511 1 48 . 1 1 14 14 SER CB C 13 63.973 0.000 . 1 . . . . . 443 SER CB . 11511 1 49 . 1 1 14 14 SER N N 15 115.790 0.000 . 1 . . . . . 443 SER N . 11511 1 50 . 1 1 15 15 ASP H H 1 8.340 0.000 . 1 . . . . . 444 ASP H . 11511 1 51 . 1 1 15 15 ASP C C 13 176.042 0.000 . 1 . . . . . 444 ASP C . 11511 1 52 . 1 1 15 15 ASP CA C 13 54.558 0.000 . 1 . . . . . 444 ASP CA . 11511 1 53 . 1 1 15 15 ASP CB C 13 41.101 0.000 . 1 . . . . . 444 ASP CB . 11511 1 54 . 1 1 15 15 ASP N N 15 122.163 0.000 . 1 . . . . . 444 ASP N . 11511 1 55 . 1 1 16 16 ASN H H 1 8.215 0.000 . 1 . . . . . 445 ASN H . 11511 1 56 . 1 1 16 16 ASN C C 13 175.345 0.000 . 1 . . . . . 445 ASN C . 11511 1 57 . 1 1 16 16 ASN CA C 13 53.475 0.000 . 1 . . . . . 445 ASN CA . 11511 1 58 . 1 1 16 16 ASN CB C 13 39.136 0.000 . 1 . . . . . 445 ASN CB . 11511 1 59 . 1 1 16 16 ASN N N 15 118.618 0.000 . 1 . . . . . 445 ASN N . 11511 1 60 . 1 1 17 17 GLU H H 1 8.359 0.000 . 1 . . . . . 446 GLU H . 11511 1 61 . 1 1 17 17 GLU C C 13 176.209 0.000 . 1 . . . . . 446 GLU C . 11511 1 62 . 1 1 17 17 GLU CA C 13 56.944 0.000 . 1 . . . . . 446 GLU CA . 11511 1 63 . 1 1 17 17 GLU CB C 13 30.282 0.000 . 1 . . . . . 446 GLU CB . 11511 1 64 . 1 1 17 17 GLU N N 15 120.823 0.000 . 1 . . . . . 446 GLU N . 11511 1 65 . 1 1 18 18 ASN H H 1 8.284 0.000 . 1 . . . . . 447 ASN H . 11511 1 66 . 1 1 18 18 ASN C C 13 174.806 0.000 . 1 . . . . . 447 ASN C . 11511 1 67 . 1 1 18 18 ASN CA C 13 53.238 0.000 . 1 . . . . . 447 ASN CA . 11511 1 68 . 1 1 18 18 ASN CB C 13 39.352 0.000 . 1 . . . . . 447 ASN CB . 11511 1 69 . 1 1 18 18 ASN N N 15 118.515 0.000 . 1 . . . . . 447 ASN N . 11511 1 70 . 1 1 19 19 GLU H H 1 8.163 0.000 . 1 . . . . . 448 GLU H . 11511 1 71 . 1 1 19 19 GLU C C 13 174.692 0.000 . 1 . . . . . 448 GLU C . 11511 1 72 . 1 1 19 19 GLU CA C 13 54.681 0.000 . 1 . . . . . 448 GLU CA . 11511 1 73 . 1 1 19 19 GLU N N 15 121.941 0.000 . 1 . . . . . 448 GLU N . 11511 1 74 . 1 1 20 20 PRO C C 13 177.310 0.000 . 1 . . . . . 449 PRO C . 11511 1 75 . 1 1 20 20 PRO CA C 13 64.110 0.000 . 1 . . . . . 449 PRO CA . 11511 1 76 . 1 1 20 20 PRO CB C 13 32.042 0.000 . 1 . . . . . 449 PRO CB . 11511 1 77 . 1 1 21 21 ASP H H 1 8.357 0.000 . 1 . . . . . 450 ASP H . 11511 1 78 . 1 1 21 21 ASP C C 13 177.100 0.000 . 1 . . . . . 450 ASP C . 11511 1 79 . 1 1 21 21 ASP CA C 13 55.021 0.000 . 1 . . . . . 450 ASP CA . 11511 1 80 . 1 1 21 21 ASP N N 15 119.121 0.000 . 1 . . . . . 450 ASP N . 11511 1 81 . 1 1 22 22 ALA H H 1 8.147 0.000 . 1 . . . . . 451 ALA H . 11511 1 82 . 1 1 22 22 ALA C C 13 179.070 0.000 . 1 . . . . . 451 ALA C . 11511 1 83 . 1 1 22 22 ALA CA C 13 54.144 0.000 . 1 . . . . . 451 ALA CA . 11511 1 84 . 1 1 22 22 ALA CB C 13 18.746 0.000 . 1 . . . . . 451 ALA CB . 11511 1 85 . 1 1 22 22 ALA N N 15 124.896 0.000 . 1 . . . . . 451 ALA N . 11511 1 86 . 1 1 23 23 TYR H H 1 8.104 0.000 . 1 . . . . . 452 TYR H . 11511 1 87 . 1 1 23 23 TYR C C 13 176.875 0.000 . 1 . . . . . 452 TYR C . 11511 1 88 . 1 1 23 23 TYR CA C 13 59.772 0.000 . 1 . . . . . 452 TYR CA . 11511 1 89 . 1 1 23 23 TYR CB C 13 37.960 0.000 . 1 . . . . . 452 TYR CB . 11511 1 90 . 1 1 23 23 TYR N N 15 118.845 0.000 . 1 . . . . . 452 TYR N . 11511 1 91 . 1 1 24 24 LEU H H 1 7.788 0.000 . 1 . . . . . 453 LEU H . 11511 1 92 . 1 1 24 24 LEU C C 13 178.539 0.000 . 1 . . . . . 453 LEU C . 11511 1 93 . 1 1 24 24 LEU CA C 13 56.619 0.000 . 1 . . . . . 453 LEU CA . 11511 1 94 . 1 1 24 24 LEU CB C 13 41.774 0.000 . 1 . . . . . 453 LEU CB . 11511 1 95 . 1 1 24 24 LEU N N 15 120.822 0.000 . 1 . . . . . 453 LEU N . 11511 1 96 . 1 1 25 25 ALA H H 1 7.905 0.000 . 1 . . . . . 454 ALA H . 11511 1 97 . 1 1 25 25 ALA C C 13 179.355 0.000 . 1 . . . . . 454 ALA C . 11511 1 98 . 1 1 25 25 ALA CA C 13 54.008 0.000 . 1 . . . . . 454 ALA CA . 11511 1 99 . 1 1 25 25 ALA CB C 13 18.377 0.000 . 1 . . . . . 454 ALA CB . 11511 1 100 . 1 1 25 25 ALA N N 15 121.869 0.000 . 1 . . . . . 454 ALA N . 11511 1 101 . 1 1 26 26 ARG H H 1 7.770 0.000 . 1 . . . . . 455 ARG H . 11511 1 102 . 1 1 26 26 ARG C C 13 177.390 0.000 . 1 . . . . . 455 ARG C . 11511 1 103 . 1 1 26 26 ARG CA C 13 57.651 0.000 . 1 . . . . . 455 ARG CA . 11511 1 104 . 1 1 26 26 ARG CB C 13 30.065 0.000 . 1 . . . . . 455 ARG CB . 11511 1 105 . 1 1 26 26 ARG N N 15 119.126 0.000 . 1 . . . . . 455 ARG N . 11511 1 106 . 1 1 27 27 LEU H H 1 7.815 0.000 . 1 . . . . . 456 LEU H . 11511 1 107 . 1 1 27 27 LEU C C 13 178.753 0.000 . 1 . . . . . 456 LEU C . 11511 1 108 . 1 1 27 27 LEU CA C 13 56.517 0.000 . 1 . . . . . 456 LEU CA . 11511 1 109 . 1 1 27 27 LEU CB C 13 41.903 0.000 . 1 . . . . . 456 LEU CB . 11511 1 110 . 1 1 27 27 LEU N N 15 121.047 0.000 . 1 . . . . . 456 LEU N . 11511 1 111 . 1 1 28 28 LYS H H 1 7.946 0.000 . 1 . . . . . 457 LYS H . 11511 1 112 . 1 1 28 28 LYS C C 13 177.257 0.000 . 1 . . . . . 457 LYS C . 11511 1 113 . 1 1 28 28 LYS CA C 13 57.382 0.000 . 1 . . . . . 457 LYS CA . 11511 1 114 . 1 1 28 28 LYS CB C 13 32.707 0.000 . 1 . . . . . 457 LYS CB . 11511 1 115 . 1 1 28 28 LYS N N 15 120.213 0.000 . 1 . . . . . 457 LYS N . 11511 1 116 . 1 1 29 29 ALA H H 1 7.922 0.000 . 1 . . . . . 458 ALA H . 11511 1 117 . 1 1 29 29 ALA C C 13 178.577 0.000 . 1 . . . . . 458 ALA C . 11511 1 118 . 1 1 29 29 ALA CA C 13 53.353 0.000 . 1 . . . . . 458 ALA CA . 11511 1 119 . 1 1 29 29 ALA CB C 13 18.861 0.000 . 1 . . . . . 458 ALA CB . 11511 1 120 . 1 1 29 29 ALA N N 15 123.577 0.000 . 1 . . . . . 458 ALA N . 11511 1 121 . 1 1 30 30 GLU H H 1 8.142 0.000 . 1 . . . . . 459 GLU H . 11511 1 122 . 1 1 30 30 GLU C C 13 176.652 0.000 . 1 . . . . . 459 GLU C . 11511 1 123 . 1 1 30 30 GLU CA C 13 57.065 0.000 . 1 . . . . . 459 GLU CA . 11511 1 124 . 1 1 30 30 GLU CB C 13 30.074 0.000 . 1 . . . . . 459 GLU CB . 11511 1 125 . 1 1 30 30 GLU N N 15 118.914 0.000 . 1 . . . . . 459 GLU N . 11511 1 126 . 1 1 31 31 ALA H H 1 7.947 0.000 . 1 . . . . . 460 ALA H . 11511 1 127 . 1 1 31 31 ALA C C 13 177.731 0.000 . 1 . . . . . 460 ALA C . 11511 1 128 . 1 1 31 31 ALA CA C 13 52.762 0.000 . 1 . . . . . 460 ALA CA . 11511 1 129 . 1 1 31 31 ALA CB C 13 18.957 0.000 . 1 . . . . . 460 ALA CB . 11511 1 130 . 1 1 31 31 ALA N N 15 123.825 0.000 . 1 . . . . . 460 ALA N . 11511 1 131 . 1 1 32 32 ARG H H 1 8.040 0.000 . 1 . . . . . 461 ARG H . 11511 1 132 . 1 1 32 32 ARG C C 13 176.537 0.000 . 1 . . . . . 461 ARG C . 11511 1 133 . 1 1 32 32 ARG CA C 13 56.228 0.000 . 1 . . . . . 461 ARG CA . 11511 1 134 . 1 1 32 32 ARG CB C 13 30.850 0.000 . 1 . . . . . 461 ARG CB . 11511 1 135 . 1 1 32 32 ARG N N 15 119.954 0.000 . 1 . . . . . 461 ARG N . 11511 1 136 . 1 1 33 33 GLU H H 1 8.345 0.000 . 1 . . . . . 462 GLU H . 11511 1 137 . 1 1 33 33 GLU C C 13 176.417 0.000 . 1 . . . . . 462 GLU C . 11511 1 138 . 1 1 33 33 GLU CA C 13 56.949 0.000 . 1 . . . . . 462 GLU CA . 11511 1 139 . 1 1 33 33 GLU CB C 13 30.087 0.000 . 1 . . . . . 462 GLU CB . 11511 1 140 . 1 1 33 33 GLU N N 15 121.788 0.000 . 1 . . . . . 462 GLU N . 11511 1 141 . 1 1 34 34 LYS H H 1 8.109 0.000 . 1 . . . . . 463 LYS H . 11511 1 142 . 1 1 34 34 LYS C C 13 176.378 0.000 . 1 . . . . . 463 LYS C . 11511 1 143 . 1 1 34 34 LYS CA C 13 56.272 0.000 . 1 . . . . . 463 LYS CA . 11511 1 144 . 1 1 34 34 LYS CB C 13 33.308 0.000 . 1 . . . . . 463 LYS CB . 11511 1 145 . 1 1 34 34 LYS N N 15 121.085 0.000 . 1 . . . . . 463 LYS N . 11511 1 146 . 1 1 35 35 GLU H H 1 8.433 0.000 . 1 . . . . . 464 GLU H . 11511 1 147 . 1 1 35 35 GLU C C 13 176.545 0.000 . 1 . . . . . 464 GLU C . 11511 1 148 . 1 1 35 35 GLU CA C 13 56.707 0.000 . 1 . . . . . 464 GLU CA . 11511 1 149 . 1 1 35 35 GLU CB C 13 30.210 0.000 . 1 . . . . . 464 GLU CB . 11511 1 150 . 1 1 35 35 GLU N N 15 122.529 0.000 . 1 . . . . . 464 GLU N . 11511 1 151 . 1 1 36 36 GLU H H 1 8.317 0.000 . 1 . . . . . 465 GLU H . 11511 1 152 . 1 1 36 36 GLU C C 13 176.057 0.000 . 1 . . . . . 465 GLU C . 11511 1 153 . 1 1 36 36 GLU N N 15 120.833 0.000 . 1 . . . . . 465 GLU N . 11511 1 154 . 1 1 40 40 ASP C C 13 176.892 0.000 . 1 . . . . . 469 ASP C . 11511 1 155 . 1 1 40 40 ASP CA C 13 54.459 0.000 . 1 . . . . . 469 ASP CA . 11511 1 156 . 1 1 40 40 ASP CB C 13 41.098 0.000 . 1 . . . . . 469 ASP CB . 11511 1 157 . 1 1 41 41 GLY H H 1 8.290 0.000 . 1 . . . . . 470 GLY H . 11511 1 158 . 1 1 41 41 GLY C C 13 174.016 0.000 . 1 . . . . . 470 GLY C . 11511 1 159 . 1 1 41 41 GLY CA C 13 45.456 0.000 . 1 . . . . . 470 GLY CA . 11511 1 160 . 1 1 41 41 GLY N N 15 109.054 0.000 . 1 . . . . . 470 GLY N . 11511 1 161 . 1 1 42 42 ASP H H 1 8.219 0.000 . 1 . . . . . 471 ASP H . 11511 1 162 . 1 1 42 42 ASP C C 13 176.353 0.000 . 1 . . . . . 471 ASP C . 11511 1 163 . 1 1 42 42 ASP CA C 13 54.167 0.000 . 1 . . . . . 471 ASP CA . 11511 1 164 . 1 1 42 42 ASP CB C 13 41.367 0.000 . 1 . . . . . 471 ASP CB . 11511 1 165 . 1 1 42 42 ASP N N 15 120.566 0.000 . 1 . . . . . 471 ASP N . 11511 1 166 . 1 1 43 43 SER H H 1 8.270 0.000 . 1 . . . . . 472 SER H . 11511 1 167 . 1 1 43 43 SER CA C 13 58.208 0.000 . 1 . . . . . 472 SER CA . 11511 1 168 . 1 1 43 43 SER CB C 13 64.149 0.000 . 1 . . . . . 472 SER CB . 11511 1 169 . 1 1 43 43 SER N N 15 116.153 0.000 . 1 . . . . . 472 SER N . 11511 1 170 . 1 1 44 44 ASP H H 1 8.379 0.000 . 1 . . . . . 473 ASP H . 11511 1 171 . 1 1 44 44 ASP CA C 13 54.256 0.000 . 1 . . . . . 473 ASP CA . 11511 1 172 . 1 1 44 44 ASP CB C 13 41.279 0.000 . 1 . . . . . 473 ASP CB . 11511 1 173 . 1 1 44 44 ASP N N 15 122.949 0.000 . 1 . . . . . 473 ASP N . 11511 1 174 . 1 1 45 45 GLU H H 1 8.264 0.000 . 1 . . . . . 474 GLU H . 11511 1 175 . 1 1 45 45 GLU C C 13 176.429 0.000 . 1 . . . . . 474 GLU C . 11511 1 176 . 1 1 45 45 GLU CA C 13 56.501 0.000 . 1 . . . . . 474 GLU CA . 11511 1 177 . 1 1 45 45 GLU CB C 13 30.436 0.000 . 1 . . . . . 474 GLU CB . 11511 1 178 . 1 1 45 45 GLU N N 15 121.147 0.000 . 1 . . . . . 474 GLU N . 11511 1 179 . 1 1 46 46 GLU H H 1 8.393 0.000 . 1 . . . . . 475 GLU H . 11511 1 180 . 1 1 46 46 GLU C C 13 176.427 0.000 . 1 . . . . . 475 GLU C . 11511 1 181 . 1 1 46 46 GLU CA C 13 56.397 0.000 . 1 . . . . . 475 GLU CA . 11511 1 182 . 1 1 46 46 GLU CB C 13 30.403 0.000 . 1 . . . . . 475 GLU CB . 11511 1 183 . 1 1 46 46 GLU N N 15 122.426 0.000 . 1 . . . . . 475 GLU N . 11511 1 184 . 1 1 47 47 SER H H 1 8.350 0.000 . 1 . . . . . 476 SER H . 11511 1 185 . 1 1 47 47 SER C C 13 174.698 0.000 . 1 . . . . . 476 SER C . 11511 1 186 . 1 1 47 47 SER CA C 13 58.156 0.000 . 1 . . . . . 476 SER CA . 11511 1 187 . 1 1 47 47 SER CB C 13 63.820 0.000 . 1 . . . . . 476 SER CB . 11511 1 188 . 1 1 47 47 SER N N 15 117.562 0.000 . 1 . . . . . 476 SER N . 11511 1 189 . 1 1 48 48 THR H H 1 8.281 0.000 . 1 . . . . . 477 THR H . 11511 1 190 . 1 1 48 48 THR C C 13 174.229 0.000 . 1 . . . . . 477 THR C . 11511 1 191 . 1 1 48 48 THR CA C 13 61.456 0.000 . 1 . . . . . 477 THR CA . 11511 1 192 . 1 1 48 48 THR CB C 13 70.007 0.000 . 1 . . . . . 477 THR CB . 11511 1 193 . 1 1 48 48 THR N N 15 116.180 0.000 . 1 . . . . . 477 THR N . 11511 1 194 . 1 1 49 49 ASP H H 1 8.309 0.000 . 1 . . . . . 478 ASP H . 11511 1 195 . 1 1 49 49 ASP C C 13 176.335 0.000 . 1 . . . . . 478 ASP C . 11511 1 196 . 1 1 49 49 ASP CA C 13 54.427 0.000 . 1 . . . . . 478 ASP CA . 11511 1 197 . 1 1 49 49 ASP CB C 13 41.314 0.000 . 1 . . . . . 478 ASP CB . 11511 1 198 . 1 1 49 49 ASP N N 15 122.975 0.000 . 1 . . . . . 478 ASP N . 11511 1 199 . 1 1 50 50 GLU H H 1 8.330 0.000 . 1 . . . . . 479 GLU H . 11511 1 200 . 1 1 50 50 GLU C C 13 176.091 0.000 . 1 . . . . . 479 GLU C . 11511 1 201 . 1 1 50 50 GLU CA C 13 56.605 0.000 . 1 . . . . . 479 GLU CA . 11511 1 202 . 1 1 50 50 GLU CB C 13 30.335 0.000 . 1 . . . . . 479 GLU CB . 11511 1 203 . 1 1 50 50 GLU N N 15 121.477 0.000 . 1 . . . . . 479 GLU N . 11511 1 204 . 1 1 51 51 ASP H H 1 8.270 0.000 . 1 . . . . . 480 ASP H . 11511 1 205 . 1 1 51 51 ASP C C 13 175.707 0.000 . 1 . . . . . 480 ASP C . 11511 1 206 . 1 1 51 51 ASP CA C 13 54.288 0.000 . 1 . . . . . 480 ASP CA . 11511 1 207 . 1 1 51 51 ASP CB C 13 41.122 0.000 . 1 . . . . . 480 ASP CB . 11511 1 208 . 1 1 51 51 ASP N N 15 121.111 0.000 . 1 . . . . . 480 ASP N . 11511 1 209 . 1 1 52 52 PHE H H 1 8.011 0.000 . 1 . . . . . 481 PHE H . 11511 1 210 . 1 1 52 52 PHE C C 13 175.054 0.000 . 1 . . . . . 481 PHE C . 11511 1 211 . 1 1 52 52 PHE CA C 13 57.755 0.000 . 1 . . . . . 481 PHE CA . 11511 1 212 . 1 1 52 52 PHE CB C 13 39.508 0.000 . 1 . . . . . 481 PHE CB . 11511 1 213 . 1 1 52 52 PHE N N 15 121.064 0.000 . 1 . . . . . 481 PHE N . 11511 1 214 . 1 1 53 53 LYS H H 1 8.020 0.000 . 1 . . . . . 482 LYS H . 11511 1 215 . 1 1 53 53 LYS C C 13 173.711 0.000 . 1 . . . . . 482 LYS C . 11511 1 216 . 1 1 53 53 LYS CA C 13 53.490 0.000 . 1 . . . . . 482 LYS CA . 11511 1 217 . 1 1 53 53 LYS N N 15 125.928 0.000 . 1 . . . . . 482 LYS N . 11511 1 218 . 1 1 54 54 PRO C C 13 176.606 0.000 . 1 . . . . . 483 PRO C . 11511 1 219 . 1 1 54 54 PRO CA C 13 62.924 0.000 . 1 . . . . . 483 PRO CA . 11511 1 220 . 1 1 54 54 PRO CB C 13 32.157 0.000 . 1 . . . . . 483 PRO CB . 11511 1 221 . 1 1 55 55 ASN H H 1 8.469 0.000 . 1 . . . . . 484 ASN H . 11511 1 222 . 1 1 55 55 ASN C C 13 175.366 0.000 . 1 . . . . . 484 ASN C . 11511 1 223 . 1 1 55 55 ASN CA C 13 53.236 0.000 . 1 . . . . . 484 ASN CA . 11511 1 224 . 1 1 55 55 ASN CB C 13 38.934 0.000 . 1 . . . . . 484 ASN CB . 11511 1 225 . 1 1 55 55 ASN N N 15 118.935 0.000 . 1 . . . . . 484 ASN N . 11511 1 226 . 1 1 56 56 GLU H H 1 8.402 0.000 . 1 . . . . . 485 GLU H . 11511 1 227 . 1 1 56 56 GLU C C 13 176.112 0.000 . 1 . . . . . 485 GLU C . 11511 1 228 . 1 1 56 56 GLU CA C 13 56.710 0.000 . 1 . . . . . 485 GLU CA . 11511 1 229 . 1 1 56 56 GLU CB C 13 30.264 0.000 . 1 . . . . . 485 GLU CB . 11511 1 230 . 1 1 56 56 GLU N N 15 121.923 0.000 . 1 . . . . . 485 GLU N . 11511 1 231 . 1 1 57 57 ASN H H 1 8.414 0.000 . 1 . . . . . 486 ASN H . 11511 1 232 . 1 1 57 57 ASN C C 13 175.188 0.000 . 1 . . . . . 486 ASN C . 11511 1 233 . 1 1 57 57 ASN CA C 13 53.307 0.000 . 1 . . . . . 486 ASN CA . 11511 1 234 . 1 1 57 57 ASN CB C 13 39.097 0.000 . 1 . . . . . 486 ASN CB . 11511 1 235 . 1 1 57 57 ASN N N 15 119.148 0.000 . 1 . . . . . 486 ASN N . 11511 1 236 . 1 1 58 58 GLU H H 1 8.333 0.000 . 1 . . . . . 487 GLU H . 11511 1 237 . 1 1 58 58 GLU C C 13 176.431 0.000 . 1 . . . . . 487 GLU C . 11511 1 238 . 1 1 58 58 GLU CA C 13 56.760 0.000 . 1 . . . . . 487 GLU CA . 11511 1 239 . 1 1 58 58 GLU CB C 13 30.264 0.000 . 1 . . . . . 487 GLU CB . 11511 1 240 . 1 1 58 58 GLU N N 15 121.647 0.000 . 1 . . . . . 487 GLU N . 11511 1 241 . 1 1 59 59 SER H H 1 8.245 0.000 . 1 . . . . . 488 SER H . 11511 1 242 . 1 1 59 59 SER C C 13 174.202 0.000 . 1 . . . . . 488 SER C . 11511 1 243 . 1 1 59 59 SER CA C 13 58.270 0.000 . 1 . . . . . 488 SER CA . 11511 1 244 . 1 1 59 59 SER CB C 13 64.085 0.000 . 1 . . . . . 488 SER CB . 11511 1 245 . 1 1 59 59 SER N N 15 116.386 0.000 . 1 . . . . . 488 SER N . 11511 1 246 . 1 1 60 60 ASP H H 1 8.311 0.000 . 1 . . . . . 489 ASP H . 11511 1 247 . 1 1 60 60 ASP C C 13 176.061 0.000 . 1 . . . . . 489 ASP C . 11511 1 248 . 1 1 60 60 ASP CA C 13 54.354 0.000 . 1 . . . . . 489 ASP CA . 11511 1 249 . 1 1 60 60 ASP CB C 13 41.121 0.000 . 1 . . . . . 489 ASP CB . 11511 1 250 . 1 1 60 60 ASP N N 15 122.953 0.000 . 1 . . . . . 489 ASP N . 11511 1 251 . 1 1 61 61 VAL H H 1 7.975 0.000 . 1 . . . . . 490 VAL H . 11511 1 252 . 1 1 61 61 VAL C C 13 175.699 0.000 . 1 . . . . . 490 VAL C . 11511 1 253 . 1 1 61 61 VAL CA C 13 62.060 0.000 . 1 . . . . . 490 VAL CA . 11511 1 254 . 1 1 61 61 VAL CB C 13 32.647 0.000 . 1 . . . . . 490 VAL CB . 11511 1 255 . 1 1 61 61 VAL N N 15 120.250 0.000 . 1 . . . . . 490 VAL N . 11511 1 256 . 1 1 62 62 ALA H H 1 8.281 0.000 . 1 . . . . . 491 ALA H . 11511 1 257 . 1 1 62 62 ALA C C 13 177.503 0.000 . 1 . . . . . 491 ALA C . 11511 1 258 . 1 1 62 62 ALA CA C 13 52.259 0.000 . 1 . . . . . 491 ALA CA . 11511 1 259 . 1 1 62 62 ALA CB C 13 19.356 0.000 . 1 . . . . . 491 ALA CB . 11511 1 260 . 1 1 62 62 ALA N N 15 128.435 0.000 . 1 . . . . . 491 ALA N . 11511 1 261 . 1 1 63 63 GLU H H 1 8.262 0.000 . 1 . . . . . 492 GLU H . 11511 1 262 . 1 1 63 63 GLU C C 13 176.074 0.000 . 1 . . . . . 492 GLU C . 11511 1 263 . 1 1 63 63 GLU CA C 13 56.411 0.000 . 1 . . . . . 492 GLU CA . 11511 1 264 . 1 1 63 63 GLU CB C 13 30.386 0.000 . 1 . . . . . 492 GLU CB . 11511 1 265 . 1 1 63 63 GLU N N 15 120.837 0.000 . 1 . . . . . 492 GLU N . 11511 1 266 . 1 1 64 64 GLU H H 1 8.274 0.000 . 1 . . . . . 493 GLU H . 11511 1 267 . 1 1 64 64 GLU C C 13 175.882 0.000 . 1 . . . . . 493 GLU C . 11511 1 268 . 1 1 64 64 GLU CA C 13 56.199 0.000 . 1 . . . . . 493 GLU CA . 11511 1 269 . 1 1 64 64 GLU CB C 13 30.527 0.000 . 1 . . . . . 493 GLU CB . 11511 1 270 . 1 1 64 64 GLU N N 15 122.043 0.000 . 1 . . . . . 493 GLU N . 11511 1 271 . 1 1 65 65 TYR H H 1 8.146 0.000 . 1 . . . . . 494 TYR H . 11511 1 272 . 1 1 65 65 TYR C C 13 175.231 0.000 . 1 . . . . . 494 TYR C . 11511 1 273 . 1 1 65 65 TYR CA C 13 57.625 0.000 . 1 . . . . . 494 TYR CA . 11511 1 274 . 1 1 65 65 TYR CB C 13 39.167 0.000 . 1 . . . . . 494 TYR CB . 11511 1 275 . 1 1 65 65 TYR N N 15 121.641 0.000 . 1 . . . . . 494 TYR N . 11511 1 276 . 1 1 66 66 ASP H H 1 8.244 0.000 . 1 . . . . . 495 ASP H . 11511 1 277 . 1 1 66 66 ASP C C 13 175.954 0.000 . 1 . . . . . 495 ASP C . 11511 1 278 . 1 1 66 66 ASP CA C 13 53.946 0.000 . 1 . . . . . 495 ASP CA . 11511 1 279 . 1 1 66 66 ASP CB C 13 41.321 0.000 . 1 . . . . . 495 ASP CB . 11511 1 280 . 1 1 66 66 ASP N N 15 123.004 0.000 . 1 . . . . . 495 ASP N . 11511 1 281 . 1 1 67 67 SER H H 1 8.165 0.000 . 1 . . . . . 496 SER H . 11511 1 282 . 1 1 67 67 SER C C 13 174.441 0.000 . 1 . . . . . 496 SER C . 11511 1 283 . 1 1 67 67 SER CA C 13 58.487 0.000 . 1 . . . . . 496 SER CA . 11511 1 284 . 1 1 67 67 SER CB C 13 63.879 0.000 . 1 . . . . . 496 SER CB . 11511 1 285 . 1 1 67 67 SER N N 15 116.976 0.000 . 1 . . . . . 496 SER N . 11511 1 286 . 1 1 68 68 ASN H H 1 8.454 0.000 . 1 . . . . . 497 ASN H . 11511 1 287 . 1 1 68 68 ASN C C 13 175.027 0.000 . 1 . . . . . 497 ASN C . 11511 1 288 . 1 1 68 68 ASN CA C 13 53.489 0.000 . 1 . . . . . 497 ASN CA . 11511 1 289 . 1 1 68 68 ASN CB C 13 38.910 0.000 . 1 . . . . . 497 ASN CB . 11511 1 290 . 1 1 68 68 ASN N N 15 121.144 0.000 . 1 . . . . . 497 ASN N . 11511 1 291 . 1 1 69 69 VAL H H 1 7.930 0.000 . 1 . . . . . 498 VAL H . 11511 1 292 . 1 1 69 69 VAL C C 13 176.073 0.000 . 1 . . . . . 498 VAL C . 11511 1 293 . 1 1 69 69 VAL CA C 13 62.244 0.000 . 1 . . . . . 498 VAL CA . 11511 1 294 . 1 1 69 69 VAL CB C 13 32.750 0.000 . 1 . . . . . 498 VAL CB . 11511 1 295 . 1 1 69 69 VAL N N 15 120.194 0.000 . 1 . . . . . 498 VAL N . 11511 1 296 . 1 1 70 70 GLU H H 1 8.408 0.000 . 1 . . . . . 499 GLU H . 11511 1 297 . 1 1 70 70 GLU C C 13 176.365 0.000 . 1 . . . . . 499 GLU C . 11511 1 298 . 1 1 70 70 GLU CA C 13 56.370 0.000 . 1 . . . . . 499 GLU CA . 11511 1 299 . 1 1 70 70 GLU CB C 13 30.329 0.000 . 1 . . . . . 499 GLU CB . 11511 1 300 . 1 1 70 70 GLU N N 15 124.905 0.000 . 1 . . . . . 499 GLU N . 11511 1 301 . 1 1 71 71 SER H H 1 8.308 0.000 . 1 . . . . . 500 SER H . 11511 1 302 . 1 1 71 71 SER CA C 13 58.186 0.000 . 1 . . . . . 500 SER CA . 11511 1 303 . 1 1 71 71 SER CB C 13 64.149 0.000 . 1 . . . . . 500 SER CB . 11511 1 304 . 1 1 71 71 SER N N 15 117.240 0.000 . 1 . . . . . 500 SER N . 11511 1 305 . 1 1 72 72 ASP H H 1 8.383 0.000 . 1 . . . . . 501 ASP H . 11511 1 306 . 1 1 72 72 ASP C C 13 176.186 0.000 . 1 . . . . . 501 ASP C . 11511 1 307 . 1 1 72 72 ASP CA C 13 54.294 0.000 . 1 . . . . . 501 ASP CA . 11511 1 308 . 1 1 72 72 ASP CB C 13 41.290 0.000 . 1 . . . . . 501 ASP CB . 11511 1 309 . 1 1 72 72 ASP N N 15 122.976 0.000 . 1 . . . . . 501 ASP N . 11511 1 310 . 1 1 73 73 SER H H 1 8.226 0.000 . 1 . . . . . 502 SER H . 11511 1 311 . 1 1 73 73 SER C C 13 174.267 0.000 . 1 . . . . . 502 SER C . 11511 1 312 . 1 1 73 73 SER CA C 13 58.310 0.000 . 1 . . . . . 502 SER CA . 11511 1 313 . 1 1 73 73 SER N N 15 115.878 0.000 . 1 . . . . . 502 SER N . 11511 1 314 . 1 1 74 74 ASP H H 1 8.372 0.000 . 1 . . . . . 503 ASP H . 11511 1 315 . 1 1 74 74 ASP C C 13 175.940 0.000 . 1 . . . . . 503 ASP C . 11511 1 316 . 1 1 74 74 ASP N N 15 122.914 0.000 . 1 . . . . . 503 ASP N . 11511 1 317 . 1 1 75 75 ASP H H 1 8.210 0.000 . 1 . . . . . 504 ASP H . 11511 1 318 . 1 1 75 75 ASP C C 13 176.040 0.000 . 1 . . . . . 504 ASP C . 11511 1 319 . 1 1 75 75 ASP CA C 13 54.364 0.000 . 1 . . . . . 504 ASP CA . 11511 1 320 . 1 1 75 75 ASP CB C 13 41.352 0.000 . 1 . . . . . 504 ASP CB . 11511 1 321 . 1 1 75 75 ASP N N 15 120.863 0.000 . 1 . . . . . 504 ASP N . 11511 1 322 . 1 1 76 76 ASP H H 1 8.294 0.000 . 1 . . . . . 505 ASP H . 11511 1 323 . 1 1 76 76 ASP C C 13 176.687 0.000 . 1 . . . . . 505 ASP C . 11511 1 324 . 1 1 76 76 ASP CA C 13 54.158 0.000 . 1 . . . . . 505 ASP CA . 11511 1 325 . 1 1 76 76 ASP CB C 13 41.013 0.000 . 1 . . . . . 505 ASP CB . 11511 1 326 . 1 1 76 76 ASP N N 15 121.613 0.000 . 1 . . . . . 505 ASP N . 11511 1 327 . 1 1 77 77 SER H H 1 8.204 0.000 . 1 . . . . . 506 SER H . 11511 1 328 . 1 1 77 77 SER C C 13 174.687 0.000 . 1 . . . . . 506 SER C . 11511 1 329 . 1 1 77 77 SER CA C 13 59.120 0.000 . 1 . . . . . 506 SER CA . 11511 1 330 . 1 1 77 77 SER CB C 13 63.973 0.000 . 1 . . . . . 506 SER CB . 11511 1 331 . 1 1 77 77 SER N N 15 116.478 0.000 . 1 . . . . . 506 SER N . 11511 1 332 . 1 1 78 78 ASP H H 1 8.336 0.000 . 1 . . . . . 507 ASP H . 11511 1 333 . 1 1 78 78 ASP C C 13 176.368 0.000 . 1 . . . . . 507 ASP C . 11511 1 334 . 1 1 78 78 ASP CA C 13 54.490 0.000 . 1 . . . . . 507 ASP CA . 11511 1 335 . 1 1 78 78 ASP CB C 13 41.008 0.000 . 1 . . . . . 507 ASP CB . 11511 1 336 . 1 1 78 78 ASP N N 15 122.199 0.000 . 1 . . . . . 507 ASP N . 11511 1 337 . 1 1 79 79 ALA H H 1 8.174 0.000 . 1 . . . . . 508 ALA H . 11511 1 338 . 1 1 79 79 ALA C C 13 178.231 0.000 . 1 . . . . . 508 ALA C . 11511 1 339 . 1 1 79 79 ALA CA C 13 52.790 0.000 . 1 . . . . . 508 ALA CA . 11511 1 340 . 1 1 79 79 ALA CB C 13 18.879 0.000 . 1 . . . . . 508 ALA CB . 11511 1 341 . 1 1 79 79 ALA N N 15 125.023 0.000 . 1 . . . . . 508 ALA N . 11511 1 342 . 1 1 80 80 SER H H 1 8.254 0.000 . 1 . . . . . 509 SER H . 11511 1 343 . 1 1 80 80 SER C C 13 175.393 0.000 . 1 . . . . . 509 SER C . 11511 1 344 . 1 1 80 80 SER CA C 13 58.919 0.000 . 1 . . . . . 509 SER CA . 11511 1 345 . 1 1 80 80 SER CB C 13 64.110 0.000 . 1 . . . . . 509 SER CB . 11511 1 346 . 1 1 80 80 SER N N 15 114.853 0.000 . 1 . . . . . 509 SER N . 11511 1 347 . 1 1 81 81 GLY H H 1 8.293 0.000 . 1 . . . . . 510 GLY H . 11511 1 348 . 1 1 81 81 GLY C C 13 174.837 0.000 . 1 . . . . . 510 GLY C . 11511 1 349 . 1 1 81 81 GLY CA C 13 45.453 0.000 . 1 . . . . . 510 GLY CA . 11511 1 350 . 1 1 81 81 GLY N N 15 110.699 0.000 . 1 . . . . . 510 GLY N . 11511 1 351 . 1 1 82 82 GLY H H 1 8.225 0.000 . 1 . . . . . 511 GLY H . 11511 1 352 . 1 1 82 82 GLY CA C 13 45.288 0.000 . 1 . . . . . 511 GLY CA . 11511 1 353 . 1 1 82 82 GLY N N 15 108.724 0.000 . 1 . . . . . 511 GLY N . 11511 1 354 . 1 1 83 83 GLY H H 1 8.298 0.000 . 1 . . . . . 512 GLY H . 11511 1 355 . 1 1 83 83 GLY C C 13 174.820 0.000 . 1 . . . . . 512 GLY C . 11511 1 356 . 1 1 83 83 GLY CA C 13 45.355 0.000 . 1 . . . . . 512 GLY CA . 11511 1 357 . 1 1 83 83 GLY N N 15 109.084 0.000 . 1 . . . . . 512 GLY N . 11511 1 358 . 1 1 84 84 GLY H H 1 8.329 0.000 . 1 . . . . . 513 GLY H . 11511 1 359 . 1 1 84 84 GLY C C 13 174.107 0.000 . 1 . . . . . 513 GLY C . 11511 1 360 . 1 1 84 84 GLY CA C 13 45.273 0.000 . 1 . . . . . 513 GLY CA . 11511 1 361 . 1 1 84 84 GLY N N 15 108.847 0.000 . 1 . . . . . 513 GLY N . 11511 1 362 . 1 1 85 85 ASP H H 1 8.290 0.000 . 1 . . . . . 514 ASP H . 11511 1 363 . 1 1 85 85 ASP C C 13 176.539 0.000 . 1 . . . . . 514 ASP C . 11511 1 364 . 1 1 85 85 ASP CA C 13 54.380 0.000 . 1 . . . . . 514 ASP CA . 11511 1 365 . 1 1 85 85 ASP N N 15 120.480 0.000 . 1 . . . . . 514 ASP N . 11511 1 366 . 1 1 86 86 SER H H 1 8.273 0.000 . 1 . . . . . 515 SER H . 11511 1 367 . 1 1 86 86 SER C C 13 174.516 0.000 . 1 . . . . . 515 SER C . 11511 1 368 . 1 1 86 86 SER CA C 13 58.416 0.000 . 1 . . . . . 515 SER CA . 11511 1 369 . 1 1 86 86 SER CB C 13 63.961 0.000 . 1 . . . . . 515 SER CB . 11511 1 370 . 1 1 86 86 SER N N 15 115.909 0.000 . 1 . . . . . 515 SER N . 11511 1 371 . 1 1 87 87 ASP H H 1 8.317 0.000 . 1 . . . . . 516 ASP H . 11511 1 372 . 1 1 87 87 ASP C C 13 176.735 0.000 . 1 . . . . . 516 ASP C . 11511 1 373 . 1 1 87 87 ASP CA C 13 54.660 0.000 . 1 . . . . . 516 ASP CA . 11511 1 374 . 1 1 87 87 ASP CB C 13 41.111 0.000 . 1 . . . . . 516 ASP CB . 11511 1 375 . 1 1 87 87 ASP N N 15 122.411 0.000 . 1 . . . . . 516 ASP N . 11511 1 376 . 1 1 88 88 GLY H H 1 8.234 0.000 . 1 . . . . . 517 GLY H . 11511 1 377 . 1 1 88 88 GLY C C 13 173.073 0.000 . 1 . . . . . 517 GLY C . 11511 1 378 . 1 1 88 88 GLY CA C 13 45.490 0.000 . 1 . . . . . 517 GLY CA . 11511 1 379 . 1 1 88 88 GLY N N 15 109.590 0.000 . 1 . . . . . 517 GLY N . 11511 1 380 . 1 1 89 89 ALA H H 1 7.746 0.000 . 1 . . . . . 518 ALA H . 11511 1 381 . 1 1 89 89 ALA C C 13 167.955 0.000 . 1 . . . . . 518 ALA C . 11511 1 382 . 1 1 89 89 ALA CA C 13 53.724 0.000 . 1 . . . . . 518 ALA CA . 11511 1 383 . 1 1 89 89 ALA N N 15 129.333 0.000 . 1 . . . . . 518 ALA N . 11511 1 stop_ save_