data_17760 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17760 _Entry.Title ; backbone resonance assignments of p53 N-terminal transactivation domain (1-93) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-07-05 _Entry.Accession_date 2011-07-05 _Entry.Last_release_date 2011-07-18 _Entry.Original_release_date 2011-07-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Tuck Wong . S. . 17760 2 Trevor Rutherford . J. . 17760 3 Stefan Freund . M.V. . 17760 4 Alan Fersht . R. . 17760 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17760 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 251 17760 '15N chemical shifts' 67 17760 '1H chemical shifts' 67 17760 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 . . 2011-07-18 2011-07-05 original author . 17760 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17760 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1093/nar/gkp750 _Citation.PubMed_ID 19755502 _Citation.Full_citation . _Citation.Title 'Biophysical characterizations of human mitochondrial travscription factor A and its binding to tumor suppressor p53' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 37 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 6765 _Citation.Page_last 6783 _Citation.Year 2009 _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.Entry_ID _Citation_author.Citation_ID 1 Tuck Wong . S. . 17760 1 2 Sridharan Rajagopalan . . . 17760 1 3 Stefan Freund . M.V. . 17760 1 4 Trevor Rutherford . J. . 17760 1 5 Antonina Andreeva . . . 17760 1 6 Fiona Townsley . M. . 17760 1 7 Miriana Petrovich . . . 17760 1 8 Alan Fersht . R. . 17760 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'N-terminal domain' 17760 1 p53 17760 1 TAD 17760 1 'transactivation domain' 17760 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17760 _Assembly.ID 1 _Assembly.Name 'p53 N-terminus' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9.979 _Assembly.Enzyme_commission_number . _Assembly.Details 'p53 residues 1-93' _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 p53_TAD 1 $p53_TAD A . yes native no no 1 . . 17760 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p53_TAD _Entity.Sf_category entity _Entity.Sf_framecode p53_TAD _Entity.Entry_ID 17760 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p53_TAD _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 ; MEEPQSDPSVEPPLSQETFS DLWKLLPENNVLSPLPSQAM DDLMLSPDDIEQWFTEDPGP DEAPRMPEAAPPVAPAPAAP TPAAPAPAPSWPL ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2GS0 . "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And The Activation Domain Of P53" . . . . . 58.06 54 100.00 100.00 3.27e-27 . . . . 17760 1 2 no PDB 2L14 . "Structure Of Cbp Nuclear Coactivator Binding Domain In Complex With P53 Tad" . . . . . 52.69 49 100.00 100.00 3.09e-24 . . . . 17760 1 3 no PDB 2LY4 . "Hmgb1-Facilitated P53 Dna Binding Occurs Via Hmg-BoxP53 Transactivation Domain Interaction And Is Regulated By The Acidic Tail" . . . . . 100.00 93 100.00 100.00 1.27e-52 . . . . 17760 1 4 no DBJ BAC16799 . "P53 [Homo sapiens]" . . . . . 100.00 393 98.92 98.92 2.82e-53 . . . . 17760 1 5 no DBJ BAG35463 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 393 98.92 98.92 3.79e-53 . . . . 17760 1 6 no DBJ BAG64357 . "unnamed protein product [Homo sapiens]" . . . . . 58.06 197 98.15 98.15 3.88e-25 . . . . 17760 1 7 no DBJ BAI45431 . "tumor protein p53 [synthetic construct]" . . . . . 100.00 393 98.92 98.92 3.79e-53 . . . . 17760 1 8 no DBJ BAJ52715 . "tumor suppressor gene p53 [Homo sapiens]" . . . . . 100.00 393 98.92 98.92 3.60e-53 . . . . 17760 1 9 no EMBL CAA26306 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 393 100.00 100.00 5.65e-54 . . . . 17760 1 10 no EMBL CAA38095 . "protein p53 [Homo sapiens]" . . . . . 100.00 393 98.92 98.92 3.79e-53 . . . . 17760 1 11 no EMBL CAA42625 . "p53 transformation suppressor [Homo sapiens]" . . . . . 100.00 245 98.92 98.92 1.73e-52 . . . . 17760 1 12 no EMBL CAA42626 . "p53 transformation suppressor [Homo sapiens]" . . . . . 100.00 393 98.92 98.92 3.83e-53 . . . . 17760 1 13 no EMBL CAA42627 . "p53 transformation suppressor [Homo sapiens]" . . . . . 100.00 393 98.92 98.92 3.79e-53 . . . . 17760 1 14 no GB AAA59987 . "phosphoprotein p53 [Homo sapiens]" . . . . . 100.00 393 97.85 97.85 9.27e-53 . . . . 17760 1 15 no GB AAA59988 . "phosphoprotein p53 [Homo sapiens]" . . . . . 100.00 393 100.00 100.00 5.65e-54 . . . . 17760 1 16 no GB AAA59989 . "p53 cellular tumor antigen [Homo sapiens]" . . . . . 100.00 393 100.00 100.00 5.53e-54 . . . . 17760 1 17 no GB AAA61211 . "p53 antigen [Homo sapiens]" . . . . . 100.00 393 97.85 97.85 1.13e-52 . . . . 17760 1 18 no GB AAA61212 . "p53 antigen [Homo sapiens]" . . . . . 100.00 393 98.92 98.92 2.11e-53 . . . . 17760 1 19 no REF NP_000537 . "cellular tumor antigen p53 isoform a [Homo sapiens]" . . . . . 100.00 393 100.00 100.00 5.65e-54 . . . . 17760 1 20 no REF NP_001119584 . "cellular tumor antigen p53 isoform a [Homo sapiens]" . . . . . 100.00 393 100.00 100.00 5.65e-54 . . . . 17760 1 21 no REF NP_001119585 . "cellular tumor antigen p53 isoform c [Homo sapiens]" . . . . . 100.00 346 100.00 100.00 1.28e-53 . . . . 17760 1 22 no REF NP_001119586 . "cellular tumor antigen p53 isoform b [Homo sapiens]" . . . . . 100.00 341 100.00 100.00 6.84e-54 . . . . 17760 1 23 no REF NP_001119590 . "cellular tumor antigen p53 isoform g [Homo sapiens]" . . . . . 58.06 354 100.00 100.00 2.58e-26 . . . . 17760 1 24 no SP P04637 . "RecName: Full=Cellular tumor antigen p53; AltName: Full=Antigen NY-CO-13; AltName: Full=Phosphoprotein p53; AltName: Full=Tumor" . . . . . 100.00 393 100.00 100.00 5.65e-54 . . . . 17760 1 25 no SP Q9TTA1 . "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53" . . . . . 100.00 393 100.00 100.00 3.69e-54 . . . . 17760 1 stop_ 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 . MET . 17760 1 2 . GLU . 17760 1 3 . GLU . 17760 1 4 . PRO . 17760 1 5 . GLN . 17760 1 6 . SER . 17760 1 7 . ASP . 17760 1 8 . PRO . 17760 1 9 . SER . 17760 1 10 . VAL . 17760 1 11 . GLU . 17760 1 12 . PRO . 17760 1 13 . PRO . 17760 1 14 . LEU . 17760 1 15 . SER . 17760 1 16 . GLN . 17760 1 17 . GLU . 17760 1 18 . THR . 17760 1 19 . PHE . 17760 1 20 . SER . 17760 1 21 . ASP . 17760 1 22 . LEU . 17760 1 23 . TRP . 17760 1 24 . LYS . 17760 1 25 . LEU . 17760 1 26 . LEU . 17760 1 27 . PRO . 17760 1 28 . GLU . 17760 1 29 . ASN . 17760 1 30 . ASN . 17760 1 31 . VAL . 17760 1 32 . LEU . 17760 1 33 . SER . 17760 1 34 . PRO . 17760 1 35 . LEU . 17760 1 36 . PRO . 17760 1 37 . SER . 17760 1 38 . GLN . 17760 1 39 . ALA . 17760 1 40 . MET . 17760 1 41 . ASP . 17760 1 42 . ASP . 17760 1 43 . LEU . 17760 1 44 . MET . 17760 1 45 . LEU . 17760 1 46 . SER . 17760 1 47 . PRO . 17760 1 48 . ASP . 17760 1 49 . ASP . 17760 1 50 . ILE . 17760 1 51 . GLU . 17760 1 52 . GLN . 17760 1 53 . TRP . 17760 1 54 . PHE . 17760 1 55 . THR . 17760 1 56 . GLU . 17760 1 57 . ASP . 17760 1 58 . PRO . 17760 1 59 . GLY . 17760 1 60 . PRO . 17760 1 61 . ASP . 17760 1 62 . GLU . 17760 1 63 . ALA . 17760 1 64 . PRO . 17760 1 65 . ARG . 17760 1 66 . MET . 17760 1 67 . PRO . 17760 1 68 . GLU . 17760 1 69 . ALA . 17760 1 70 . ALA . 17760 1 71 . PRO . 17760 1 72 . PRO . 17760 1 73 . VAL . 17760 1 74 . ALA . 17760 1 75 . PRO . 17760 1 76 . ALA . 17760 1 77 . PRO . 17760 1 78 . ALA . 17760 1 79 . ALA . 17760 1 80 . PRO . 17760 1 81 . THR . 17760 1 82 . PRO . 17760 1 83 . ALA . 17760 1 84 . ALA . 17760 1 85 . PRO . 17760 1 86 . ALA . 17760 1 87 . PRO . 17760 1 88 . ALA . 17760 1 89 . PRO . 17760 1 90 . SER . 17760 1 91 . TRP . 17760 1 92 . PRO . 17760 1 93 . LEU . 17760 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 . MET 1 1 17760 1 . GLU 2 2 17760 1 . GLU 3 3 17760 1 . PRO 4 4 17760 1 . GLN 5 5 17760 1 . SER 6 6 17760 1 . ASP 7 7 17760 1 . PRO 8 8 17760 1 . SER 9 9 17760 1 . VAL 10 10 17760 1 . GLU 11 11 17760 1 . PRO 12 12 17760 1 . PRO 13 13 17760 1 . LEU 14 14 17760 1 . SER 15 15 17760 1 . GLN 16 16 17760 1 . GLU 17 17 17760 1 . THR 18 18 17760 1 . PHE 19 19 17760 1 . SER 20 20 17760 1 . ASP 21 21 17760 1 . LEU 22 22 17760 1 . TRP 23 23 17760 1 . LYS 24 24 17760 1 . LEU 25 25 17760 1 . LEU 26 26 17760 1 . PRO 27 27 17760 1 . GLU 28 28 17760 1 . ASN 29 29 17760 1 . ASN 30 30 17760 1 . VAL 31 31 17760 1 . LEU 32 32 17760 1 . SER 33 33 17760 1 . PRO 34 34 17760 1 . LEU 35 35 17760 1 . PRO 36 36 17760 1 . SER 37 37 17760 1 . GLN 38 38 17760 1 . ALA 39 39 17760 1 . MET 40 40 17760 1 . ASP 41 41 17760 1 . ASP 42 42 17760 1 . LEU 43 43 17760 1 . MET 44 44 17760 1 . LEU 45 45 17760 1 . SER 46 46 17760 1 . PRO 47 47 17760 1 . ASP 48 48 17760 1 . ASP 49 49 17760 1 . ILE 50 50 17760 1 . GLU 51 51 17760 1 . GLN 52 52 17760 1 . TRP 53 53 17760 1 . PHE 54 54 17760 1 . THR 55 55 17760 1 . GLU 56 56 17760 1 . ASP 57 57 17760 1 . PRO 58 58 17760 1 . GLY 59 59 17760 1 . PRO 60 60 17760 1 . ASP 61 61 17760 1 . GLU 62 62 17760 1 . ALA 63 63 17760 1 . PRO 64 64 17760 1 . ARG 65 65 17760 1 . MET 66 66 17760 1 . PRO 67 67 17760 1 . GLU 68 68 17760 1 . ALA 69 69 17760 1 . ALA 70 70 17760 1 . PRO 71 71 17760 1 . PRO 72 72 17760 1 . VAL 73 73 17760 1 . ALA 74 74 17760 1 . PRO 75 75 17760 1 . ALA 76 76 17760 1 . PRO 77 77 17760 1 . ALA 78 78 17760 1 . ALA 79 79 17760 1 . PRO 80 80 17760 1 . THR 81 81 17760 1 . PRO 82 82 17760 1 . ALA 83 83 17760 1 . ALA 84 84 17760 1 . PRO 85 85 17760 1 . ALA 86 86 17760 1 . PRO 87 87 17760 1 . ALA 88 88 17760 1 . PRO 89 89 17760 1 . SER 90 90 17760 1 . TRP 91 91 17760 1 . PRO 92 92 17760 1 . LEU 93 93 17760 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 17760 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $p53_TAD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17760 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 17760 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $p53_TAD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . NA . . . . . . 17760 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17760 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '200uM protein in 25mM Tris.HCl pH 7.4, 150mM NaCl, 1mM DTT' _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 p53_TAD '[U-100% 13C; U-100% 15N]' . . 1 $p53_TAD . . 200 . . uM . . . . 17760 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 17760 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17760 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17760 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17760 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17760 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 17760 _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' 175 . mM 17760 1 pH 7.4 . pH 17760 1 pressure 1 . atm 17760 1 temperature 293 . K 17760 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17760 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17760 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17760 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 17760 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17760 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 17760 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 17760 _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 . . . . . . . . . . . . . . . . 17760 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17760 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17760 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17760 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17760 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 17760 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.82 na indirect 0.251449530 . . . . . . . . . 17760 1 H 1 water protons . . . . ppm 4.82 internal direct 1.0 . . . . . . . . . 17760 1 N 15 water protons . . . . ppm 4.82 na indirect 0.101329118 . . . . . . . . . 17760 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 17760 _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' . . . 17760 1 2 '3D HNCACB' . . . 17760 1 3 '3D CBCA(CO)NH' . . . 17760 1 4 '3D HN(CA)CO' . . . 17760 1 5 '3D HNCO' . . . 17760 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.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 1 1 MET C C 13 176.163 0.02 . 1 . . . . 1 MET CO . 17760 1 2 . 1 1 1 1 MET CA C 13 55.706 0.25 . 1 . . . . 1 MET CA . 17760 1 3 . 1 1 1 1 MET CB C 13 32.671 0.25 . 1 . . . . 1 MET CB . 17760 1 4 . 1 1 2 2 GLU H H 1 8.358 0.02 . 1 . . . . 2 GLU HN . 17760 1 5 . 1 1 2 2 GLU C C 13 176.171 0.02 . 1 . . . . 2 GLU CO . 17760 1 6 . 1 1 2 2 GLU CA C 13 56.478 0.25 . 1 . . . . 2 GLU CA . 17760 1 7 . 1 1 2 2 GLU CB C 13 30.498 0.25 . 1 . . . . 2 GLU CB . 17760 1 8 . 1 1 2 2 GLU N N 15 121.536 0.11 . 1 . . . . 2 GLU N . 17760 1 9 . 1 1 3 3 GLU H H 1 8.359 0.02 . 1 . . . . 3 GLU HN . 17760 1 10 . 1 1 3 3 GLU C C 13 174.464 0.02 . 1 . . . . 3 GLU CO . 17760 1 11 . 1 1 3 3 GLU CA C 13 54.304 0.25 . 1 . . . . 3 GLU CA . 17760 1 12 . 1 1 3 3 GLU CB C 13 29.868 0.25 . 1 . . . . 3 GLU CB . 17760 1 13 . 1 1 3 3 GLU N N 15 123.308 0.11 . 1 . . . . 3 GLU N . 17760 1 14 . 1 1 4 4 PRO C C 13 176.995 0.02 . 1 . . . . 4 PRO CO . 17760 1 15 . 1 1 4 4 PRO CA C 13 63.282 0.25 . 1 . . . . 4 PRO CA . 17760 1 16 . 1 1 4 4 PRO CB C 13 32.204 0.25 . 1 . . . . 4 PRO CB . 17760 1 17 . 1 1 5 5 GLN H H 1 8.575 0.02 . 1 . . . . 5 GLN HN . 17760 1 18 . 1 1 5 5 GLN C C 13 176.034 0.02 . 1 . . . . 5 GLN CO . 17760 1 19 . 1 1 5 5 GLN CA C 13 55.686 0.25 . 1 . . . . 5 GLN CA . 17760 1 20 . 1 1 5 5 GLN CB C 13 29.746 0.25 . 1 . . . . 5 GLN CB . 17760 1 21 . 1 1 5 5 GLN N N 15 120.976 0.11 . 1 . . . . 5 GLN N . 17760 1 22 . 1 1 6 6 SER H H 1 8.400 0.02 . 1 . . . . 6 SER HN . 17760 1 23 . 1 1 6 6 SER C C 13 173.796 0.02 . 1 . . . . 6 SER CO . 17760 1 24 . 1 1 6 6 SER CA C 13 58.306 0.25 . 1 . . . . 6 SER CA . 17760 1 25 . 1 1 6 6 SER CB C 13 64.034 0.25 . 1 . . . . 6 SER CB . 17760 1 26 . 1 1 6 6 SER N N 15 117.753 0.11 . 1 . . . . 6 SER N . 17760 1 27 . 1 1 7 7 ASP H H 1 8.456 0.02 . 1 . . . . 7 ASP HN . 17760 1 28 . 1 1 7 7 ASP C C 13 174.768 0.02 . 1 . . . . 7 ASP CO . 17760 1 29 . 1 1 7 7 ASP CA C 13 52.368 0.25 . 1 . . . . 7 ASP CA . 17760 1 30 . 1 1 7 7 ASP CB C 13 41.250 0.25 . 1 . . . . 7 ASP CB . 17760 1 31 . 1 1 7 7 ASP N N 15 123.666 0.11 . 1 . . . . 7 ASP N . 17760 1 32 . 1 1 8 8 PRO C C 13 177.153 0.02 . 1 . . . . 8 PRO CO . 17760 1 33 . 1 1 8 8 PRO CA C 13 63.486 0.25 . 1 . . . . 8 PRO CA . 17760 1 34 . 1 1 8 8 PRO CB C 13 32.204 0.25 . 1 . . . . 8 PRO CB . 17760 1 35 . 1 1 9 9 SER H H 1 8.541 0.02 . 1 . . . . 9 SER HN . 17760 1 36 . 1 1 9 9 SER C C 13 174.587 0.02 . 1 . . . . 9 SER CO . 17760 1 37 . 1 1 9 9 SER CA C 13 58.996 0.25 . 1 . . . . 9 SER CA . 17760 1 38 . 1 1 9 9 SER CB C 13 63.871 0.25 . 1 . . . . 9 SER CB . 17760 1 39 . 1 1 9 9 SER N N 15 116.051 0.11 . 1 . . . . 9 SER N . 17760 1 40 . 1 1 10 10 VAL H H 1 7.890 0.02 . 1 . . . . 10 VAL HN . 17760 1 41 . 1 1 10 10 VAL C C 13 175.852 0.02 . 1 . . . . 10 VAL CO . 17760 1 42 . 1 1 10 10 VAL CA C 13 61.942 0.25 . 1 . . . . 10 VAL CA . 17760 1 43 . 1 1 10 10 VAL CB C 13 32.915 0.25 . 1 . . . . 10 VAL CB . 17760 1 44 . 1 1 10 10 VAL N N 15 121.109 0.11 . 1 . . . . 10 VAL N . 17760 1 45 . 1 1 11 11 GLU H H 1 8.357 0.02 . 1 . . . . 11 GLU HN . 17760 1 46 . 1 1 11 11 GLU C C 13 173.930 0.02 . 1 . . . . 11 GLU CO . 17760 1 47 . 1 1 11 11 GLU CA C 13 54.264 0.25 . 1 . . . . 11 GLU CA . 17760 1 48 . 1 1 11 11 GLU CB C 13 29.807 0.25 . 1 . . . . 11 GLU CB . 17760 1 49 . 1 1 11 11 GLU N N 15 126.173 0.11 . 1 . . . . 11 GLU N . 17760 1 50 . 1 1 13 13 PRO C C 13 176.989 0.02 . 1 . . . . 13 PRO CO . 17760 1 51 . 1 1 13 13 PRO CA C 13 62.775 0.25 . 1 . . . . 13 PRO CA . 17760 1 52 . 1 1 13 13 PRO CB C 13 32.103 0.25 . 1 . . . . 13 PRO CB . 17760 1 53 . 1 1 14 14 LEU H H 1 8.363 0.02 . 1 . . . . 14 LEU HN . 17760 1 54 . 1 1 14 14 LEU C C 13 177.622 0.02 . 1 . . . . 14 LEU CO . 17760 1 55 . 1 1 14 14 LEU CA C 13 55.381 0.25 . 1 . . . . 14 LEU CA . 17760 1 56 . 1 1 14 14 LEU CB C 13 42.503 0.25 . 1 . . . . 14 LEU CB . 17760 1 57 . 1 1 14 14 LEU N N 15 122.452 0.11 . 1 . . . . 14 LEU N . 17760 1 58 . 1 1 15 15 SER H H 1 8.349 0.02 . 1 . . . . 15 SER HN . 17760 1 59 . 1 1 15 15 SER C C 13 174.657 0.02 . 1 . . . . 15 SER CO . 17760 1 60 . 1 1 15 15 SER CA C 13 58.184 0.25 . 1 . . . . 15 SER CA . 17760 1 61 . 1 1 15 15 SER CB C 13 63.871 0.25 . 1 . . . . 15 SER CB . 17760 1 62 . 1 1 15 15 SER N N 15 116.709 0.11 . 1 . . . . 15 SER N . 17760 1 63 . 1 1 16 16 GLN H H 1 8.513 0.02 . 1 . . . . 16 GLN HN . 17760 1 64 . 1 1 16 16 GLN C C 13 176.063 0.02 . 1 . . . . 16 GLN CO . 17760 1 65 . 1 1 16 16 GLN CA C 13 56.051 0.25 . 1 . . . . 16 GLN CA . 17760 1 66 . 1 1 16 16 GLN CB C 13 29.604 0.25 . 1 . . . . 16 GLN CB . 17760 1 67 . 1 1 16 16 GLN N N 15 122.501 0.11 . 1 . . . . 16 GLN N . 17760 1 68 . 1 1 17 17 GLU H H 1 8.546 0.02 . 1 . . . . 17 GLU HN . 17760 1 69 . 1 1 17 17 GLU C C 13 176.626 0.02 . 1 . . . . 17 GLU CO . 17760 1 70 . 1 1 17 17 GLU CA C 13 57.067 0.25 . 1 . . . . 17 GLU CA . 17760 1 71 . 1 1 17 17 GLU CB C 13 30.255 0.25 . 1 . . . . 17 GLU CB . 17760 1 72 . 1 1 17 17 GLU N N 15 121.933 0.11 . 1 . . . . 17 GLU N . 17760 1 73 . 1 1 18 18 THR H H 1 8.127 0.02 . 1 . . . . 18 THR HN . 17760 1 74 . 1 1 18 18 THR C C 13 174.411 0.02 . 1 . . . . 18 THR CO . 17760 1 75 . 1 1 18 18 THR CA C 13 62.023 0.25 . 1 . . . . 18 THR CA . 17760 1 76 . 1 1 18 18 THR CB C 13 69.986 0.25 . 1 . . . . 18 THR CB . 17760 1 77 . 1 1 18 18 THR N N 15 114.933 0.11 . 1 . . . . 18 THR N . 17760 1 78 . 1 1 19 19 PHE H H 1 8.261 0.02 . 1 . . . . 19 PHE HN . 17760 1 79 . 1 1 19 19 PHE C C 13 175.917 0.02 . 1 . . . . 19 PHE CO . 17760 1 80 . 1 1 19 19 PHE CA C 13 58.082 0.25 . 1 . . . . 19 PHE CA . 17760 1 81 . 1 1 19 19 PHE CB C 13 39.456 0.25 . 1 . . . . 19 PHE CB . 17760 1 82 . 1 1 19 19 PHE N N 15 122.317 0.11 . 1 . . . . 19 PHE N . 17760 1 83 . 1 1 20 20 SER H H 1 8.119 0.02 . 1 . . . . 20 SER HN . 17760 1 84 . 1 1 20 20 SER C C 13 174.511 0.02 . 1 . . . . 20 SER CO . 17760 1 85 . 1 1 20 20 SER CA C 13 58.753 0.25 . 1 . . . . 20 SER CA . 17760 1 86 . 1 1 20 20 SER CB C 13 63.912 0.25 . 1 . . . . 20 SER CB . 17760 1 87 . 1 1 20 20 SER N N 15 116.753 0.11 . 1 . . . . 20 SER N . 17760 1 88 . 1 1 21 21 ASP H H 1 8.295 0.02 . 1 . . . . 21 ASP HN . 17760 1 89 . 1 1 21 21 ASP C C 13 176.884 0.02 . 1 . . . . 21 ASP CO . 17760 1 90 . 1 1 21 21 ASP CA C 13 54.954 0.25 . 1 . . . . 21 ASP CA . 17760 1 91 . 1 1 21 21 ASP CB C 13 40.837 0.25 . 1 . . . . 21 ASP CB . 17760 1 92 . 1 1 21 21 ASP N N 15 122.139 0.11 . 1 . . . . 21 ASP N . 17760 1 93 . 1 1 22 22 LEU H H 1 7.959 0.02 . 1 . . . . 22 LEU HN . 17760 1 94 . 1 1 22 22 LEU C C 13 178.050 0.02 . 1 . . . . 22 LEU CO . 17760 1 95 . 1 1 22 22 LEU CA C 13 56.579 0.25 . 1 . . . . 22 LEU CA . 17760 1 96 . 1 1 22 22 LEU CB C 13 41.832 0.25 . 1 . . . . 22 LEU CB . 17760 1 97 . 1 1 22 22 LEU N N 15 121.145 0.11 . 1 . . . . 22 LEU N . 17760 1 98 . 1 1 23 23 TRP H H 1 7.869 0.02 . 1 . . . . 23 TRP HN . 17760 1 99 . 1 1 23 23 TRP C C 13 176.743 0.02 . 1 . . . . 23 TRP CO . 17760 1 100 . 1 1 23 23 TRP CA C 13 57.757 0.25 . 1 . . . . 23 TRP CA . 17760 1 101 . 1 1 23 23 TRP CB C 13 28.934 0.25 . 1 . . . . 23 TRP CB . 17760 1 102 . 1 1 23 23 TRP N N 15 119.387 0.11 . 1 . . . . 23 TRP N . 17760 1 103 . 1 1 24 24 LYS H H 1 7.595 0.02 . 1 . . . . 24 LYS HN . 17760 1 104 . 1 1 24 24 LYS C C 13 176.198 0.02 . 1 . . . . 24 LYS CO . 17760 1 105 . 1 1 24 24 LYS CA C 13 56.945 0.25 . 1 . . . . 24 LYS CA . 17760 1 106 . 1 1 24 24 LYS CB C 13 32.895 0.25 . 1 . . . . 24 LYS CB . 17760 1 107 . 1 1 24 24 LYS N N 15 120.522 0.11 . 1 . . . . 24 LYS N . 17760 1 108 . 1 1 25 25 LEU H H 1 7.842 0.02 . 1 . . . . 25 LEU HN . 17760 1 109 . 1 1 25 25 LEU C C 13 177.095 0.02 . 1 . . . . 25 LEU CO . 17760 1 110 . 1 1 25 25 LEU CA C 13 54.975 0.25 . 1 . . . . 25 LEU CA . 17760 1 111 . 1 1 25 25 LEU CB C 13 42.320 0.25 . 1 . . . . 25 LEU CB . 17760 1 112 . 1 1 25 25 LEU N N 15 120.787 0.11 . 1 . . . . 25 LEU N . 17760 1 113 . 1 1 26 26 LEU H H 1 7.934 0.02 . 1 . . . . 26 LEU HN . 17760 1 114 . 1 1 26 26 LEU C C 13 175.530 0.02 . 1 . . . . 26 LEU CO . 17760 1 115 . 1 1 26 26 LEU CA C 13 53.025 0.25 . 1 . . . . 26 LEU CA . 17760 1 116 . 1 1 26 26 LEU CB C 13 41.548 0.25 . 1 . . . . 26 LEU CB . 17760 1 117 . 1 1 26 26 LEU N N 15 123.711 0.11 . 1 . . . . 26 LEU N . 17760 1 118 . 1 1 27 27 PRO C C 13 177.487 0.02 . 1 . . . . 27 PRO CO . 17760 1 119 . 1 1 27 27 PRO CA C 13 63.668 0.25 . 1 . . . . 27 PRO CA . 17760 1 120 . 1 1 27 27 PRO CB C 13 32.021 0.25 . 1 . . . . 27 PRO CB . 17760 1 121 . 1 1 28 28 GLU H H 1 8.727 0.02 . 1 . . . . 28 GLU HN . 17760 1 122 . 1 1 28 28 GLU C C 13 176.397 0.02 . 1 . . . . 28 GLU CO . 17760 1 123 . 1 1 28 28 GLU CA C 13 57.189 0.25 . 1 . . . . 28 GLU CA . 17760 1 124 . 1 1 28 28 GLU CB C 13 29.950 0.25 . 1 . . . . 28 GLU CB . 17760 1 125 . 1 1 28 28 GLU N N 15 119.825 0.11 . 1 . . . . 28 GLU N . 17760 1 126 . 1 1 29 29 ASN H H 1 8.302 0.02 . 1 . . . . 29 ASN HN . 17760 1 127 . 1 1 29 29 ASN C C 13 174.815 0.02 . 1 . . . . 29 ASN CO . 17760 1 128 . 1 1 29 29 ASN CA C 13 53.228 0.25 . 1 . . . . 29 ASN CA . 17760 1 129 . 1 1 29 29 ASN CB C 13 38.968 0.25 . 1 . . . . 29 ASN CB . 17760 1 130 . 1 1 29 29 ASN N N 15 118.871 0.11 . 1 . . . . 29 ASN N . 17760 1 131 . 1 1 30 30 ASN H H 1 8.305 0.02 . 1 . . . . 30 ASN HN . 17760 1 132 . 1 1 30 30 ASN C C 13 174.897 0.02 . 1 . . . . 30 ASN CO . 17760 1 133 . 1 1 30 30 ASN CA C 13 53.492 0.25 . 1 . . . . 30 ASN CA . 17760 1 134 . 1 1 30 30 ASN CB C 13 39.192 0.25 . 1 . . . . 30 ASN CB . 17760 1 135 . 1 1 30 30 ASN N N 15 119.598 0.11 . 1 . . . . 30 ASN N . 17760 1 136 . 1 1 31 31 VAL H H 1 8.051 0.02 . 1 . . . . 31 VAL HN . 17760 1 137 . 1 1 31 31 VAL C C 13 176.063 0.02 . 1 . . . . 31 VAL CO . 17760 1 138 . 1 1 31 31 VAL CA C 13 62.531 0.25 . 1 . . . . 31 VAL CA . 17760 1 139 . 1 1 31 31 VAL CB C 13 32.651 0.25 . 1 . . . . 31 VAL CB . 17760 1 140 . 1 1 31 31 VAL N N 15 120.218 0.11 . 1 . . . . 31 VAL N . 17760 1 141 . 1 1 32 32 LEU H H 1 8.313 0.02 . 1 . . . . 32 LEU HN . 17760 1 142 . 1 1 32 32 LEU C C 13 177.118 0.02 . 1 . . . . 32 LEU CO . 17760 1 143 . 1 1 32 32 LEU CA C 13 55.036 0.25 . 1 . . . . 32 LEU CA . 17760 1 144 . 1 1 32 32 LEU CB C 13 42.401 0.25 . 1 . . . . 32 LEU CB . 17760 1 145 . 1 1 32 32 LEU N N 15 125.577 0.11 . 1 . . . . 32 LEU N . 17760 1 146 . 1 1 33 33 SER H H 1 8.241 0.02 . 1 . . . . 33 SER HN . 17760 1 147 . 1 1 33 33 SER C C 13 172.448 0.02 . 1 . . . . 33 SER CO . 17760 1 148 . 1 1 33 33 SER CA C 13 56.214 0.25 . 1 . . . . 33 SER CA . 17760 1 149 . 1 1 33 33 SER CB C 13 63.465 0.25 . 1 . . . . 33 SER CB . 17760 1 150 . 1 1 33 33 SER N N 15 118.112 0.11 . 1 . . . . 33 SER N . 17760 1 151 . 1 1 34 34 PRO C C 13 176.772 0.02 . 1 . . . . 34 PRO CO . 17760 1 152 . 1 1 34 34 PRO CA C 13 63.018 0.25 . 1 . . . . 34 PRO CA . 17760 1 153 . 1 1 34 34 PRO CB C 13 32.164 0.25 . 1 . . . . 34 PRO CB . 17760 1 154 . 1 1 35 35 LEU H H 1 8.326 0.02 . 1 . . . . 35 LEU HN . 17760 1 155 . 1 1 35 35 LEU C C 13 175.565 0.02 . 1 . . . . 35 LEU CO . 17760 1 156 . 1 1 35 35 LEU CA C 13 53.187 0.25 . 1 . . . . 35 LEU CA . 17760 1 157 . 1 1 35 35 LEU CB C 13 41.731 0.25 . 1 . . . . 35 LEU CB . 17760 1 158 . 1 1 35 35 LEU N N 15 123.728 0.11 . 1 . . . . 35 LEU N . 17760 1 159 . 1 1 36 36 PRO C C 13 177.095 0.02 . 1 . . . . 36 PRO CO . 17760 1 160 . 1 1 36 36 PRO CA C 13 63.303 0.25 . 1 . . . . 36 PRO CA . 17760 1 161 . 1 1 36 36 PRO CB C 13 32.082 0.25 . 1 . . . . 36 PRO CB . 17760 1 162 . 1 1 37 37 SER H H 1 8.358 0.02 . 1 . . . . 37 SER HN . 17760 1 163 . 1 1 37 37 SER C C 13 174.739 0.02 . 1 . . . . 37 SER CO . 17760 1 164 . 1 1 37 37 SER CA C 13 58.631 0.25 . 1 . . . . 37 SER CA . 17760 1 165 . 1 1 37 37 SER CB C 13 63.811 0.25 . 1 . . . . 37 SER CB . 17760 1 166 . 1 1 37 37 SER N N 15 115.700 0.11 . 1 . . . . 37 SER N . 17760 1 167 . 1 1 38 38 GLN H H 1 8.397 0.02 . 1 . . . . 38 GLN HN . 17760 1 168 . 1 1 38 38 GLN C C 13 175.618 0.02 . 1 . . . . 38 GLN CO . 17760 1 169 . 1 1 38 38 GLN CA C 13 55.868 0.25 . 1 . . . . 38 GLN CA . 17760 1 170 . 1 1 38 38 GLN CB C 13 29.665 0.25 . 1 . . . . 38 GLN CB . 17760 1 171 . 1 1 38 38 GLN N N 15 122.247 0.11 . 1 . . . . 38 GLN N . 17760 1 172 . 1 1 39 39 ALA H H 1 8.330 0.02 . 1 . . . . 39 ALA HN . 17760 1 173 . 1 1 39 39 ALA C C 13 177.874 0.02 . 1 . . . . 39 ALA CO . 17760 1 174 . 1 1 39 39 ALA CA C 13 52.700 0.25 . 1 . . . . 39 ALA CA . 17760 1 175 . 1 1 39 39 ALA CB C 13 19.265 0.25 . 1 . . . . 39 ALA CB . 17760 1 176 . 1 1 39 39 ALA N N 15 125.228 0.11 . 1 . . . . 39 ALA N . 17760 1 177 . 1 1 40 40 MET H H 1 8.352 0.02 . 1 . . . . 40 MET HN . 17760 1 178 . 1 1 40 40 MET C C 13 176.244 0.02 . 1 . . . . 40 MET CO . 17760 1 179 . 1 1 40 40 MET CA C 13 55.665 0.25 . 1 . . . . 40 MET CA . 17760 1 180 . 1 1 40 40 MET CB C 13 32.956 0.25 . 1 . . . . 40 MET CB . 17760 1 181 . 1 1 40 40 MET N N 15 119.567 0.11 . 1 . . . . 40 MET N . 17760 1 182 . 1 1 41 41 ASP H H 1 8.274 0.02 . 1 . . . . 41 ASP HN . 17760 1 183 . 1 1 41 41 ASP C C 13 176.244 0.02 . 1 . . . . 41 ASP CO . 17760 1 184 . 1 1 41 41 ASP CA C 13 54.792 0.25 . 1 . . . . 41 ASP CA . 17760 1 185 . 1 1 41 41 ASP CB C 13 41.284 0.25 . 1 . . . . 41 ASP CB . 17760 1 186 . 1 1 41 41 ASP N N 15 121.040 0.11 . 1 . . . . 41 ASP N . 17760 1 187 . 1 1 42 42 ASP H H 1 8.112 0.02 . 1 . . . . 42 ASP HN . 17760 1 188 . 1 1 42 42 ASP C C 13 176.368 0.02 . 1 . . . . 42 ASP CO . 17760 1 189 . 1 1 42 42 ASP CA C 13 54.690 0.25 . 1 . . . . 42 ASP CA . 17760 1 190 . 1 1 42 42 ASP CB C 13 41.081 0.25 . 1 . . . . 42 ASP CB . 17760 1 191 . 1 1 42 42 ASP N N 15 120.231 0.11 . 1 . . . . 42 ASP N . 17760 1 192 . 1 1 43 43 LEU H H 1 8.100 0.02 . 1 . . . . 43 LEU HN . 17760 1 193 . 1 1 43 43 LEU C C 13 177.405 0.02 . 1 . . . . 43 LEU CO . 17760 1 194 . 1 1 43 43 LEU CA C 13 55.564 0.25 . 1 . . . . 43 LEU CA . 17760 1 195 . 1 1 43 43 LEU CB C 13 42.239 0.25 . 1 . . . . 43 LEU CB . 17760 1 196 . 1 1 43 43 LEU N N 15 121.742 0.11 . 1 . . . . 43 LEU N . 17760 1 197 . 1 1 44 44 MET H H 1 8.270 0.02 . 1 . . . . 44 MET HN . 17760 1 198 . 1 1 44 44 MET C C 13 175.946 0.02 . 1 . . . . 44 MET CO . 17760 1 199 . 1 1 44 44 MET CA C 13 55.442 0.25 . 1 . . . . 44 MET CA . 17760 1 200 . 1 1 44 44 MET CB C 13 32.346 0.25 . 1 . . . . 44 MET CB . 17760 1 201 . 1 1 44 44 MET N N 15 120.360 0.11 . 1 . . . . 44 MET N . 17760 1 202 . 1 1 45 45 LEU H H 1 8.105 0.02 . 1 . . . . 45 LEU HN . 17760 1 203 . 1 1 45 45 LEU C C 13 177.112 0.02 . 1 . . . . 45 LEU CO . 17760 1 204 . 1 1 45 45 LEU CA C 13 54.914 0.25 . 1 . . . . 45 LEU CA . 17760 1 205 . 1 1 45 45 LEU CB C 13 42.706 0.25 . 1 . . . . 45 LEU CB . 17760 1 206 . 1 1 45 45 LEU N N 15 123.173 0.11 . 1 . . . . 45 LEU N . 17760 1 207 . 1 1 46 46 SER H H 1 8.540 0.02 . 1 . . . . 46 SER HN . 17760 1 208 . 1 1 46 46 SER C C 13 173.303 0.02 . 1 . . . . 46 SER CO . 17760 1 209 . 1 1 46 46 SER CA C 13 56.112 0.25 . 1 . . . . 46 SER CA . 17760 1 210 . 1 1 46 46 SER CB C 13 63.607 0.25 . 1 . . . . 46 SER CB . 17760 1 211 . 1 1 46 46 SER N N 15 118.456 0.11 . 1 . . . . 46 SER N . 17760 1 212 . 1 1 47 47 PRO C C 13 177.042 0.02 . 1 . . . . 47 PRO CO . 17760 1 213 . 1 1 47 47 PRO CA C 13 63.811 0.25 . 1 . . . . 47 PRO CA . 17760 1 214 . 1 1 47 47 PRO CB C 13 32.082 0.25 . 1 . . . . 47 PRO CB . 17760 1 215 . 1 1 48 48 ASP H H 1 8.235 0.02 . 1 . . . . 48 ASP HN . 17760 1 216 . 1 1 48 48 ASP C C 13 176.274 0.02 . 1 . . . . 48 ASP CO . 17760 1 217 . 1 1 48 48 ASP CA C 13 54.914 0.25 . 1 . . . . 48 ASP CA . 17760 1 218 . 1 1 48 48 ASP CB C 13 41.162 0.25 . 1 . . . . 48 ASP CB . 17760 1 219 . 1 1 48 48 ASP N N 15 118.864 0.11 . 1 . . . . 48 ASP N . 17760 1 220 . 1 1 49 49 ASP H H 1 8.258 0.02 . 1 . . . . 49 ASP HN . 17760 1 221 . 1 1 49 49 ASP C C 13 176.444 0.02 . 1 . . . . 49 ASP CO . 17760 1 222 . 1 1 49 49 ASP CA C 13 54.548 0.25 . 1 . . . . 49 ASP CA . 17760 1 223 . 1 1 49 49 ASP CB C 13 41.304 0.25 . 1 . . . . 49 ASP CB . 17760 1 224 . 1 1 49 49 ASP N N 15 120.251 0.11 . 1 . . . . 49 ASP N . 17760 1 225 . 1 1 50 50 ILE H H 1 7.865 0.02 . 1 . . . . 50 ILE HN . 17760 1 226 . 1 1 50 50 ILE C C 13 176.456 0.02 . 1 . . . . 50 ILE CO . 17760 1 227 . 1 1 50 50 ILE CA C 13 61.698 0.25 . 1 . . . . 50 ILE CA . 17760 1 228 . 1 1 50 50 ILE CB C 13 38.867 0.25 . 1 . . . . 50 ILE CB . 17760 1 229 . 1 1 50 50 ILE N N 15 120.199 0.11 . 1 . . . . 50 ILE N . 17760 1 230 . 1 1 51 51 GLU H H 1 8.364 0.02 . 1 . . . . 51 GLU HN . 17760 1 231 . 1 1 51 51 GLU C C 13 176.626 0.02 . 1 . . . . 51 GLU CO . 17760 1 232 . 1 1 51 51 GLU CA C 13 57.128 0.25 . 1 . . . . 51 GLU CA . 17760 1 233 . 1 1 51 51 GLU CB C 13 30.031 0.25 . 1 . . . . 51 GLU CB . 17760 1 234 . 1 1 51 51 GLU N N 15 123.774 0.11 . 1 . . . . 51 GLU N . 17760 1 235 . 1 1 52 52 GLN H H 1 8.160 0.02 . 1 . . . . 52 GLN HN . 17760 1 236 . 1 1 52 52 GLN C C 13 175.495 0.02 . 1 . . . . 52 GLN CO . 17760 1 237 . 1 1 52 52 GLN CA C 13 55.889 0.25 . 1 . . . . 52 GLN CA . 17760 1 238 . 1 1 52 52 GLN CB C 13 29.584 0.25 . 1 . . . . 52 GLN CB . 17760 1 239 . 1 1 52 52 GLN N N 15 120.464 0.11 . 1 . . . . 52 GLN N . 17760 1 240 . 1 1 53 53 TRP H H 1 7.994 0.02 . 1 . . . . 53 TRP HN . 17760 1 241 . 1 1 53 53 TRP C C 13 175.756 0.02 . 1 . . . . 53 TRP CO . 17760 1 242 . 1 1 53 53 TRP CA C 13 57.087 0.25 . 1 . . . . 53 TRP CA . 17760 1 243 . 1 1 53 53 TRP CB C 13 29.769 0.25 . 1 . . . . 53 TRP CB . 17760 1 244 . 1 1 53 53 TRP N N 15 121.525 0.11 . 1 . . . . 53 TRP N . 17760 1 245 . 1 1 54 54 PHE H H 1 7.994 0.02 . 1 . . . . 54 PHE HN . 17760 1 246 . 1 1 54 54 PHE C C 13 175.395 0.02 . 1 . . . . 54 PHE CO . 17760 1 247 . 1 1 54 54 PHE CA C 13 57.554 0.25 . 1 . . . . 54 PHE CA . 17760 1 248 . 1 1 54 54 PHE CB C 13 39.903 0.25 . 1 . . . . 54 PHE CB . 17760 1 249 . 1 1 54 54 PHE N N 15 121.525 0.11 . 1 . . . . 54 PHE N . 17760 1 250 . 1 1 55 55 THR H H 1 8.003 0.02 . 1 . . . . 55 THR HN . 17760 1 251 . 1 1 55 55 THR C C 13 173.813 0.02 . 1 . . . . 55 THR CO . 17760 1 252 . 1 1 55 55 THR CA C 13 61.637 0.25 . 1 . . . . 55 THR CA . 17760 1 253 . 1 1 55 55 THR CB C 13 70.046 0.25 . 1 . . . . 55 THR CB . 17760 1 254 . 1 1 55 55 THR N N 15 116.350 0.11 . 1 . . . . 55 THR N . 17760 1 255 . 1 1 56 56 GLU H H 1 8.324 0.02 . 1 . . . . 56 GLU HN . 17760 1 256 . 1 1 56 56 GLU C C 13 175.788 0.02 . 1 . . . . 56 GLU CO . 17760 1 257 . 1 1 56 56 GLU CA C 13 56.214 0.25 . 1 . . . . 56 GLU CA . 17760 1 258 . 1 1 56 56 GLU CB C 13 30.721 0.25 . 1 . . . . 56 GLU CB . 17760 1 259 . 1 1 56 56 GLU N N 15 123.403 0.11 . 1 . . . . 56 GLU N . 17760 1 260 . 1 1 57 57 ASP H H 1 8.462 0.02 . 1 . . . . 57 ASP HN . 17760 1 261 . 1 1 57 57 ASP C C 13 174.499 0.02 . 1 . . . . 57 ASP CO . 17760 1 262 . 1 1 57 57 ASP CA C 13 52.375 0.25 . 1 . . . . 57 ASP CA . 17760 1 263 . 1 1 57 57 ASP CB C 13 41.182 0.25 . 1 . . . . 57 ASP CB . 17760 1 264 . 1 1 57 57 ASP N N 15 123.466 0.11 . 1 . . . . 57 ASP N . 17760 1 265 . 1 1 58 58 PRO C C 13 177.382 0.02 . 1 . . . . 58 PRO CO . 17760 1 266 . 1 1 58 58 PRO CA C 13 63.404 0.25 . 1 . . . . 58 PRO CA . 17760 1 267 . 1 1 58 58 PRO CB C 13 32.326 0.25 . 1 . . . . 58 PRO CB . 17760 1 268 . 1 1 59 59 GLY H H 1 8.416 0.02 . 1 . . . . 59 GLY HN . 17760 1 269 . 1 1 59 59 GLY C C 13 172.231 0.02 . 1 . . . . 59 GLY CO . 17760 1 270 . 1 1 59 59 GLY CA C 13 44.534 0.25 . 1 . . . . 59 GLY CA . 17760 1 271 . 1 1 59 59 GLY N N 15 109.327 0.11 . 1 . . . . 59 GLY N . 17760 1 272 . 1 1 60 60 PRO C C 13 177.106 0.02 . 1 . . . . 60 PRO CO . 17760 1 273 . 1 1 60 60 PRO CA C 13 63.506 0.25 . 1 . . . . 60 PRO CA . 17760 1 274 . 1 1 60 60 PRO CB C 13 32.245 0.25 . 1 . . . . 60 PRO CB . 17760 1 275 . 1 1 61 61 ASP H H 1 8.465 0.02 . 1 . . . . 61 ASP HN . 17760 1 276 . 1 1 61 61 ASP C C 13 176.186 0.02 . 1 . . . . 61 ASP CO . 17760 1 277 . 1 1 61 61 ASP CA C 13 54.487 0.25 . 1 . . . . 61 ASP CA . 17760 1 278 . 1 1 61 61 ASP CB C 13 41.061 0.25 . 1 . . . . 61 ASP CB . 17760 1 279 . 1 1 61 61 ASP N N 15 119.962 0.11 . 1 . . . . 61 ASP N . 17760 1 280 . 1 1 62 62 GLU H H 1 8.138 0.02 . 1 . . . . 62 GLU HN . 17760 1 281 . 1 1 62 62 GLU C C 13 175.835 0.02 . 1 . . . . 62 GLU CO . 17760 1 282 . 1 1 62 62 GLU CA C 13 56.153 0.25 . 1 . . . . 62 GLU CA . 17760 1 283 . 1 1 62 62 GLU CB C 13 30.742 0.25 . 1 . . . . 62 GLU CB . 17760 1 284 . 1 1 62 62 GLU N N 15 120.923 0.11 . 1 . . . . 62 GLU N . 17760 1 285 . 1 1 63 63 ALA H H 1 8.291 0.02 . 1 . . . . 63 ALA HN . 17760 1 286 . 1 1 63 63 ALA C C 13 175.348 0.02 . 1 . . . . 63 ALA CO . 17760 1 287 . 1 1 63 63 ALA CA C 13 50.709 0.25 . 1 . . . . 63 ALA CA . 17760 1 288 . 1 1 63 63 ALA CB C 13 18.087 0.25 . 1 . . . . 63 ALA CB . 17760 1 289 . 1 1 63 63 ALA N N 15 126.666 0.11 . 1 . . . . 63 ALA N . 17760 1 290 . 1 1 64 64 PRO C C 13 176.840 0.02 . 1 . . . . 64 PRO CO . 17760 1 291 . 1 1 64 64 PRO CA C 13 62.990 0.25 . 1 . . . . 64 PRO CA . 17760 1 292 . 1 1 64 64 PRO CB C 13 32.094 0.25 . 1 . . . . 64 PRO CB . 17760 1 293 . 1 1 65 65 ARG H H 1 8.481 0.02 . 1 . . . . 65 ARG HN . 17760 1 294 . 1 1 65 65 ARG C C 13 176.321 0.02 . 1 . . . . 65 ARG CO . 17760 1 295 . 1 1 65 65 ARG CA C 13 55.848 0.25 . 1 . . . . 65 ARG CA . 17760 1 296 . 1 1 65 65 ARG CB C 13 31.046 0.25 . 1 . . . . 65 ARG CB . 17760 1 297 . 1 1 65 65 ARG N N 15 121.946 0.11 . 1 . . . . 65 ARG N . 17760 1 298 . 1 1 66 66 MET H H 1 8.510 0.02 . 1 . . . . 66 MET HN . 17760 1 299 . 1 1 66 66 MET C C 13 174.341 0.02 . 1 . . . . 66 MET CO . 17760 1 300 . 1 1 66 66 MET CA C 13 53.248 0.25 . 1 . . . . 66 MET CA . 17760 1 301 . 1 1 66 66 MET N N 15 123.408 0.11 . 1 . . . . 66 MET N . 17760 1 302 . 1 1 67 67 PRO C C 13 174.841 0.02 . 1 . . . . 67 PRO CO . 17760 1 303 . 1 1 67 67 PRO CA C 13 63.230 0.25 . 1 . . . . 67 PRO CA . 17760 1 304 . 1 1 67 67 PRO CB C 13 32.188 0.25 . 1 . . . . 67 PRO CB . 17760 1 305 . 1 1 68 68 GLU H H 1 8.545 0.02 . 1 . . . . 68 GLU HN . 17760 1 306 . 1 1 68 68 GLU C C 13 176.309 0.02 . 1 . . . . 68 GLU CO . 17760 1 307 . 1 1 68 68 GLU CA C 13 56.539 0.25 . 1 . . . . 68 GLU CA . 17760 1 308 . 1 1 68 68 GLU CB C 13 30.437 0.25 . 1 . . . . 68 GLU CB . 17760 1 309 . 1 1 68 68 GLU N N 15 121.294 0.11 . 1 . . . . 68 GLU N . 17760 1 310 . 1 1 69 69 ALA H H 1 8.329 0.02 . 1 . . . . 69 ALA HN . 17760 1 311 . 1 1 69 69 ALA C C 13 176.971 0.02 . 1 . . . . 69 ALA CO . 17760 1 312 . 1 1 69 69 ALA CA C 13 52.192 0.25 . 1 . . . . 69 ALA CA . 17760 1 313 . 1 1 69 69 ALA CB C 13 19.509 0.25 . 1 . . . . 69 ALA CB . 17760 1 314 . 1 1 69 69 ALA N N 15 125.714 0.11 . 1 . . . . 69 ALA N . 17760 1 315 . 1 1 70 70 ALA H H 1 8.283 0.02 . 1 . . . . 70 ALA HN . 17760 1 316 . 1 1 70 70 ALA C C 13 175.020 0.02 . 1 . . . . 70 ALA CO . 17760 1 317 . 1 1 70 70 ALA CA C 13 50.384 0.25 . 1 . . . . 70 ALA CA . 17760 1 318 . 1 1 70 70 ALA CB C 13 18.209 0.25 . 1 . . . . 70 ALA CB . 17760 1 319 . 1 1 70 70 ALA N N 15 125.138 0.11 . 1 . . . . 70 ALA N . 17760 1 320 . 1 1 72 72 PRO C C 13 176.872 0.02 . 1 . . . . 72 PRO CO . 17760 1 321 . 1 1 72 72 PRO CA C 13 62.856 0.25 . 1 . . . . 72 PRO CA . 17760 1 322 . 1 1 72 72 PRO CB C 13 32.062 0.25 . 1 . . . . 72 PRO CB . 17760 1 323 . 1 1 73 73 VAL H H 1 8.180 0.02 . 1 . . . . 73 VAL HN . 17760 1 324 . 1 1 73 73 VAL C C 13 175.659 0.02 . 1 . . . . 73 VAL CO . 17760 1 325 . 1 1 73 73 VAL CA C 13 62.023 0.25 . 1 . . . . 73 VAL CA . 17760 1 326 . 1 1 73 73 VAL CB C 13 33.017 0.25 . 1 . . . . 73 VAL CB . 17760 1 327 . 1 1 73 73 VAL N N 15 120.485 0.11 . 1 . . . . 73 VAL N . 17760 1 328 . 1 1 74 74 ALA H H 1 8.409 0.02 . 1 . . . . 74 ALA HN . 17760 1 329 . 1 1 74 74 ALA C C 13 175.290 0.02 . 1 . . . . 74 ALA CO . 17760 1 330 . 1 1 74 74 ALA CA C 13 50.384 0.25 . 1 . . . . 74 ALA CA . 17760 1 331 . 1 1 74 74 ALA CB C 13 18.331 0.25 . 1 . . . . 74 ALA CB . 17760 1 332 . 1 1 74 74 ALA N N 15 129.660 0.11 . 1 . . . . 74 ALA N . 17760 1 333 . 1 1 78 78 ALA C C 13 177.165 0.02 . 1 . . . . 78 ALA CO . 17760 1 334 . 1 1 79 79 ALA H H 1 8.300 0.02 . 1 . . . . 79 ALA HN . 17760 1 335 . 1 1 79 79 ALA C C 13 175.548 0.02 . 1 . . . . 79 ALA CO . 17760 1 336 . 1 1 79 79 ALA N N 15 124.942 0.11 . 1 . . . . 79 ALA N . 17760 1 337 . 1 1 80 80 PRO C C 13 176.872 0.02 . 1 . . . . 80 PRO CO . 17760 1 338 . 1 1 80 80 PRO CA C 13 62.917 0.25 . 1 . . . . 80 PRO CA . 17760 1 339 . 1 1 80 80 PRO CB C 13 32.082 0.25 . 1 . . . . 80 PRO CB . 17760 1 340 . 1 1 81 81 THR H H 1 8.331 0.02 . 1 . . . . 81 THR HN . 17760 1 341 . 1 1 81 81 THR C C 13 172.975 0.02 . 1 . . . . 81 THR CO . 17760 1 342 . 1 1 81 81 THR CA C 13 59.890 0.25 . 1 . . . . 81 THR CA . 17760 1 343 . 1 1 81 81 THR CB C 13 69.945 0.25 . 1 . . . . 81 THR CB . 17760 1 344 . 1 1 81 81 THR N N 15 117.451 0.11 . 1 . . . . 81 THR N . 17760 1 345 . 1 1 82 82 PRO C C 13 176.544 0.02 . 1 . . . . 82 PRO CO . 17760 1 346 . 1 1 82 82 PRO CA C 13 63.039 0.25 . 1 . . . . 82 PRO CA . 17760 1 347 . 1 1 82 82 PRO CB C 13 32.164 0.25 . 1 . . . . 82 PRO CB . 17760 1 348 . 1 1 83 83 ALA H H 1 8.373 0.02 . 1 . . . . 83 ALA HN . 17760 1 349 . 1 1 83 83 ALA C C 13 177.141 0.02 . 1 . . . . 83 ALA CO . 17760 1 350 . 1 1 83 83 ALA CA C 13 52.212 0.25 . 1 . . . . 83 ALA CA . 17760 1 351 . 1 1 83 83 ALA CB C 13 19.387 0.25 . 1 . . . . 83 ALA CB . 17760 1 352 . 1 1 83 83 ALA N N 15 124.659 0.11 . 1 . . . . 83 ALA N . 17760 1 353 . 1 1 84 84 ALA H H 1 8.272 0.02 . 1 . . . . 84 ALA HN . 17760 1 354 . 1 1 84 84 ALA C C 13 175.378 0.02 . 1 . . . . 84 ALA CO . 17760 1 355 . 1 1 84 84 ALA CA C 13 50.384 0.25 . 1 . . . . 84 ALA CA . 17760 1 356 . 1 1 84 84 ALA CB C 13 18.209 0.25 . 1 . . . . 84 ALA CB . 17760 1 357 . 1 1 84 84 ALA N N 15 124.915 0.11 . 1 . . . . 84 ALA N . 17760 1 358 . 1 1 85 85 PRO C C 13 176.321 0.02 . 1 . . . . 85 PRO CO . 17760 1 359 . 1 1 85 85 PRO CA C 13 62.734 0.25 . 1 . . . . 85 PRO CA . 17760 1 360 . 1 1 85 85 PRO CB C 13 32.123 0.25 . 1 . . . . 85 PRO CB . 17760 1 361 . 1 1 86 86 ALA H H 1 8.384 0.02 . 1 . . . . 86 ALA HN . 17760 1 362 . 1 1 86 86 ALA C C 13 175.565 0.02 . 1 . . . . 86 ALA CO . 17760 1 363 . 1 1 86 86 ALA CA C 13 50.425 0.25 . 1 . . . . 86 ALA CA . 17760 1 364 . 1 1 86 86 ALA CB C 13 18.128 0.25 . 1 . . . . 86 ALA CB . 17760 1 365 . 1 1 86 86 ALA N N 15 125.823 0.11 . 1 . . . . 86 ALA N . 17760 1 366 . 1 1 89 89 PRO C C 13 176.632 0.02 . 1 . . . . 89 PRO CO . 17760 1 367 . 1 1 89 89 PRO CA C 13 63.039 0.25 . 1 . . . . 89 PRO CA . 17760 1 368 . 1 1 89 89 PRO CB C 13 31.981 0.25 . 1 . . . . 89 PRO CB . 17760 1 369 . 1 1 90 90 SER H H 1 8.143 0.02 . 1 . . . . 90 SER HN . 17760 1 370 . 1 1 90 90 SER C C 13 173.614 0.02 . 1 . . . . 90 SER CO . 17760 1 371 . 1 1 90 90 SER CA C 13 58.001 0.25 . 1 . . . . 90 SER CA . 17760 1 372 . 1 1 90 90 SER CB C 13 63.851 0.25 . 1 . . . . 90 SER CB . 17760 1 373 . 1 1 90 90 SER N N 15 115.753 0.11 . 1 . . . . 90 SER N . 17760 1 374 . 1 1 91 91 TRP H H 1 8.042 0.02 . 1 . . . . 91 TRP HN . 17760 1 375 . 1 1 91 91 TRP C C 13 174.218 0.02 . 1 . . . . 91 TRP CO . 17760 1 376 . 1 1 91 91 TRP CA C 13 54.853 0.25 . 1 . . . . 91 TRP CA . 17760 1 377 . 1 1 91 91 TRP CB C 13 29.300 0.25 . 1 . . . . 91 TRP CB . 17760 1 378 . 1 1 91 91 TRP N N 15 123.906 0.11 . 1 . . . . 91 TRP N . 17760 1 379 . 1 1 92 92 PRO C C 13 175.946 0.02 . 1 . . . . 92 PRO CO . 17760 1 380 . 1 1 92 92 PRO CA C 13 63.404 0.25 . 1 . . . . 92 PRO CA . 17760 1 381 . 1 1 92 92 PRO CB C 13 31.879 0.25 . 1 . . . . 92 PRO CB . 17760 1 382 . 1 1 93 93 LEU H H 1 7.841 0.02 . 1 . . . . 93 LEU HN . 17760 1 383 . 1 1 93 93 LEU CA C 13 56.843 0.25 . 1 . . . . 93 LEU CA . 17760 1 384 . 1 1 93 93 LEU CB C 13 43.539 0.25 . 1 . . . . 93 LEU CB . 17760 1 385 . 1 1 93 93 LEU N N 15 128.380 0.11 . 1 . . . . 93 LEU N . 17760 1 stop_ save_