data_15274 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15274 _Entry.Title ; NMR chemical shift assignments for Arf-binding domain of Hdm2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-05-31 _Entry.Accession_date 2007-05-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR chemical shift assignments for Arf-binding domain of Hdm2 (residues 210-304)' _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 Sivashankar Sivakolundu . G. . 15274 2 Richard Kriwacki . W. . 15274 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'St. Jude Childrens Research Hospital' . 15274 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15274 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 276 15274 '15N chemical shifts' 91 15274 '1H chemical shifts' 91 15274 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-11-21 2007-05-31 update BMRB 'update entry citation' 15274 1 . . 2008-10-28 2007-05-31 original author 'original release' 15274 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15274 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18809412 _Citation.Full_citation . _Citation.Title 'Intrinsically Unstructured Domains of Arf and Hdm2 Form Bimolecular Oligomeric Structures In Vitro and In Vivo' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 384 _Citation.Journal_issue 1 _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 240 _Citation.Page_last 254 _Citation.Year 2008 _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 Sivashankar Sivakolundu . G. . 15274 1 2 Amanda Nourse . . . 15274 1 3 Simon Moshiach . . . 15274 1 4 Brian Bothner . . . 15274 1 5 Chimere Ashley . . . 15274 1 6 John Satumba . . . 15274 1 7 Jill Lahti . . . 15274 1 8 Richard Kriwacki . W. . 15274 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID arf 15274 1 hdm2 15274 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15274 _Assembly.ID 1 _Assembly.Name Hdm2-ABD _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 10913 _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 Hdm2-ABD 1 $Hdm2-ABD A . yes native no no . . . 15274 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hdm2-ABD _Entity.Sf_category entity _Entity.Sf_framecode Hdm2-ABD _Entity.Entry_ID 15274 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Hdm2-ABD _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 ; GSHMSSSSESTGTPSNPDLD AGVSEHSGDWLDQDSVSDQF SVEFEVESLDSEDYSLSEEG QELSDEDDEVYQVTVYQAGE SDTDSFEEDPEISLADYWK ; _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 99 _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 2015-11-26 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 DBJ BAB11975 . "MDM2 [Canis lupus familiaris]" . . . . . 95.96 487 98.95 100.00 1.47e-53 . . . . 15274 1 2 no DBJ BAC78209 . "double minute 2 protein MDM2 [Felis catus]" . . . . . 95.96 491 98.95 100.00 1.17e-53 . . . . 15274 1 3 no DBJ BAF83030 . "unnamed protein product [Homo sapiens]" . . . . . 95.96 491 100.00 100.00 3.24e-54 . . . . 15274 1 4 no DBJ BAJ17752 . "Mdm2 p53 binding protein homolog [synthetic construct]" . . . . . 95.96 497 100.00 100.00 3.08e-54 . . . . 15274 1 5 no EMBL CAA78055 . "p53 associated [Homo sapiens]" . . . . . 95.96 491 100.00 100.00 3.24e-54 . . . . 15274 1 6 no EMBL CAH89564 . "hypothetical protein [Pongo abelii]" . . . . . 95.96 497 97.89 98.95 1.05e-52 . . . . 15274 1 7 no EMBL CAP16704 . "MDM2 protein [Homo sapiens]" . . . . . 95.96 522 100.00 100.00 1.21e-53 . . . . 15274 1 8 no EMBL CAP16705 . "MDM2 protein [Homo sapiens]" . . . . . 95.96 455 100.00 100.00 1.46e-54 . . . . 15274 1 9 no EMBL CAP16729 . "MDM2 protein [Homo sapiens]" . . . . . 91.92 305 100.00 100.00 2.63e-51 . . . . 15274 1 10 no GB AAA60568 . "p53 associated [Homo sapiens]" . . . . . 95.96 491 100.00 100.00 3.24e-54 . . . . 15274 1 11 no GB AAA75514 . "mdm2-A [Homo sapiens]" . . . . . 82.83 296 100.00 100.00 1.85e-46 . . . . 15274 1 12 no GB AAA75516 . "mdm2-C [Homo sapiens]" . . . . . 82.83 321 100.00 100.00 2.39e-46 . . . . 15274 1 13 no GB AAF28866 . "double minute 2 protein [Equus caballus]" . . . . . 95.96 491 98.95 100.00 9.76e-54 . . . . 15274 1 14 no GB AAF42995 . "MDM2-a1 [Homo sapiens]" . . . . . 54.55 265 98.15 98.15 1.22e-23 . . . . 15274 1 15 no PRF 1814460A . "p53-associated protein" . . . . . 95.96 491 100.00 100.00 3.24e-54 . . . . 15274 1 16 no REF NP_001009346 . "E3 ubiquitin-protein ligase Mdm2 [Felis catus]" . . . . . 95.96 491 98.95 100.00 1.17e-53 . . . . 15274 1 17 no REF NP_001092577 . "E3 ubiquitin-protein ligase Mdm2 [Bos taurus]" . . . . . 95.96 492 98.95 100.00 1.01e-53 . . . . 15274 1 18 no REF NP_001124685 . "E3 ubiquitin-protein ligase Mdm2 [Pongo abelii]" . . . . . 95.96 497 97.89 98.95 1.05e-52 . . . . 15274 1 19 no REF NP_001138811 . "E3 ubiquitin-protein ligase Mdm2 isoform h [Homo sapiens]" . . . . . 95.96 442 100.00 100.00 1.52e-54 . . . . 15274 1 20 no REF NP_001138812 . "E3 ubiquitin-protein ligase Mdm2 isoform i [Homo sapiens]" . . . . . 54.55 295 98.15 98.15 1.08e-23 . . . . 15274 1 21 no SP P56950 . "RecName: Full=E3 ubiquitin-protein ligase Mdm2; AltName: Full=Double minute 2 protein; Short=Cdm2; AltName: Full=p53-binding pr" . . . . . 95.96 487 98.95 100.00 1.37e-53 . . . . 15274 1 22 no SP P56951 . "RecName: Full=E3 ubiquitin-protein ligase Mdm2; AltName: Full=Double minute 2 protein; Short=Edm2; AltName: Full=p53-binding pr" . . . . . 95.96 491 98.95 100.00 9.76e-54 . . . . 15274 1 23 no SP Q00987 . "RecName: Full=E3 ubiquitin-protein ligase Mdm2; AltName: Full=Double minute 2 protein; Short=Hdm2; AltName: Full=Oncoprotein Md" . . . . . 95.96 491 100.00 100.00 3.24e-54 . . . . 15274 1 24 no SP Q7YRZ8 . "RecName: Full=E3 ubiquitin-protein ligase Mdm2; AltName: Full=Double minute 2 protein; AltName: Full=p53-binding protein Mdm2" . . . . . 95.96 491 98.95 100.00 1.17e-53 . . . . 15274 1 25 no TPG DAA29805 . "TPA: MDM2-like protein [Bos taurus]" . . . . . 95.96 492 98.95 100.00 1.00e-53 . . . . 15274 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transcriptional regulator and E3 ubiquitin ligase of p53' 15274 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 . GLY . 15274 1 2 . SER . 15274 1 3 . HIS . 15274 1 4 . MET . 15274 1 5 . SER . 15274 1 6 . SER . 15274 1 7 . SER . 15274 1 8 . SER . 15274 1 9 . GLU . 15274 1 10 . SER . 15274 1 11 . THR . 15274 1 12 . GLY . 15274 1 13 . THR . 15274 1 14 . PRO . 15274 1 15 . SER . 15274 1 16 . ASN . 15274 1 17 . PRO . 15274 1 18 . ASP . 15274 1 19 . LEU . 15274 1 20 . ASP . 15274 1 21 . ALA . 15274 1 22 . GLY . 15274 1 23 . VAL . 15274 1 24 . SER . 15274 1 25 . GLU . 15274 1 26 . HIS . 15274 1 27 . SER . 15274 1 28 . GLY . 15274 1 29 . ASP . 15274 1 30 . TRP . 15274 1 31 . LEU . 15274 1 32 . ASP . 15274 1 33 . GLN . 15274 1 34 . ASP . 15274 1 35 . SER . 15274 1 36 . VAL . 15274 1 37 . SER . 15274 1 38 . ASP . 15274 1 39 . GLN . 15274 1 40 . PHE . 15274 1 41 . SER . 15274 1 42 . VAL . 15274 1 43 . GLU . 15274 1 44 . PHE . 15274 1 45 . GLU . 15274 1 46 . VAL . 15274 1 47 . GLU . 15274 1 48 . SER . 15274 1 49 . LEU . 15274 1 50 . ASP . 15274 1 51 . SER . 15274 1 52 . GLU . 15274 1 53 . ASP . 15274 1 54 . TYR . 15274 1 55 . SER . 15274 1 56 . LEU . 15274 1 57 . SER . 15274 1 58 . GLU . 15274 1 59 . GLU . 15274 1 60 . GLY . 15274 1 61 . GLN . 15274 1 62 . GLU . 15274 1 63 . LEU . 15274 1 64 . SER . 15274 1 65 . ASP . 15274 1 66 . GLU . 15274 1 67 . ASP . 15274 1 68 . ASP . 15274 1 69 . GLU . 15274 1 70 . VAL . 15274 1 71 . TYR . 15274 1 72 . GLN . 15274 1 73 . VAL . 15274 1 74 . THR . 15274 1 75 . VAL . 15274 1 76 . TYR . 15274 1 77 . GLN . 15274 1 78 . ALA . 15274 1 79 . GLY . 15274 1 80 . GLU . 15274 1 81 . SER . 15274 1 82 . ASP . 15274 1 83 . THR . 15274 1 84 . ASP . 15274 1 85 . SER . 15274 1 86 . PHE . 15274 1 87 . GLU . 15274 1 88 . GLU . 15274 1 89 . ASP . 15274 1 90 . PRO . 15274 1 91 . GLU . 15274 1 92 . ILE . 15274 1 93 . SER . 15274 1 94 . LEU . 15274 1 95 . ALA . 15274 1 96 . ASP . 15274 1 97 . TYR . 15274 1 98 . TRP . 15274 1 99 . LYS . 15274 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 15274 1 . SER 2 2 15274 1 . HIS 3 3 15274 1 . MET 4 4 15274 1 . SER 5 5 15274 1 . SER 6 6 15274 1 . SER 7 7 15274 1 . SER 8 8 15274 1 . GLU 9 9 15274 1 . SER 10 10 15274 1 . THR 11 11 15274 1 . GLY 12 12 15274 1 . THR 13 13 15274 1 . PRO 14 14 15274 1 . SER 15 15 15274 1 . ASN 16 16 15274 1 . PRO 17 17 15274 1 . ASP 18 18 15274 1 . LEU 19 19 15274 1 . ASP 20 20 15274 1 . ALA 21 21 15274 1 . GLY 22 22 15274 1 . VAL 23 23 15274 1 . SER 24 24 15274 1 . GLU 25 25 15274 1 . HIS 26 26 15274 1 . SER 27 27 15274 1 . GLY 28 28 15274 1 . ASP 29 29 15274 1 . TRP 30 30 15274 1 . LEU 31 31 15274 1 . ASP 32 32 15274 1 . GLN 33 33 15274 1 . ASP 34 34 15274 1 . SER 35 35 15274 1 . VAL 36 36 15274 1 . SER 37 37 15274 1 . ASP 38 38 15274 1 . GLN 39 39 15274 1 . PHE 40 40 15274 1 . SER 41 41 15274 1 . VAL 42 42 15274 1 . GLU 43 43 15274 1 . PHE 44 44 15274 1 . GLU 45 45 15274 1 . VAL 46 46 15274 1 . GLU 47 47 15274 1 . SER 48 48 15274 1 . LEU 49 49 15274 1 . ASP 50 50 15274 1 . SER 51 51 15274 1 . GLU 52 52 15274 1 . ASP 53 53 15274 1 . TYR 54 54 15274 1 . SER 55 55 15274 1 . LEU 56 56 15274 1 . SER 57 57 15274 1 . GLU 58 58 15274 1 . GLU 59 59 15274 1 . GLY 60 60 15274 1 . GLN 61 61 15274 1 . GLU 62 62 15274 1 . LEU 63 63 15274 1 . SER 64 64 15274 1 . ASP 65 65 15274 1 . GLU 66 66 15274 1 . ASP 67 67 15274 1 . ASP 68 68 15274 1 . GLU 69 69 15274 1 . VAL 70 70 15274 1 . TYR 71 71 15274 1 . GLN 72 72 15274 1 . VAL 73 73 15274 1 . THR 74 74 15274 1 . VAL 75 75 15274 1 . TYR 76 76 15274 1 . GLN 77 77 15274 1 . ALA 78 78 15274 1 . GLY 79 79 15274 1 . GLU 80 80 15274 1 . SER 81 81 15274 1 . ASP 82 82 15274 1 . THR 83 83 15274 1 . ASP 84 84 15274 1 . SER 85 85 15274 1 . PHE 86 86 15274 1 . GLU 87 87 15274 1 . GLU 88 88 15274 1 . ASP 89 89 15274 1 . PRO 90 90 15274 1 . GLU 91 91 15274 1 . ILE 92 92 15274 1 . SER 93 93 15274 1 . LEU 94 94 15274 1 . ALA 95 95 15274 1 . ASP 96 96 15274 1 . TYR 97 97 15274 1 . TRP 98 98 15274 1 . LYS 99 99 15274 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 15274 _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 $Hdm2-ABD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'Central domain comprising residues 210 to 304 of Hdm2' . . 15274 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 15274 _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 $Hdm2-ABD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28a . . . . . . 15274 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15274 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM Hdm2-ABD in 10 mM sodium phosphate and 10 mM NaCl at pH6' _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 Hdm2-ABD '[U-98% 13C; U-98% 15N]' . . 1 $Hdm2-ABD . . 1 . . mM . . . . 15274 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15274 1 3 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 15274 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15274 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15274 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 15274 _Sample_condition_list.ID 1 _Sample_condition_list.Details '10 mM sodium phosphate' 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' 0.02 . M 15274 1 pH 6 . pH 15274 1 pressure 1 . atm 15274 1 temperature 298 . K 15274 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15274 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15274 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15274 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15274 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15274 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15274 2 'data analysis' 15274 2 'peak picking' 15274 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 15274 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equiped with a TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15274 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equiped with a TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15274 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15274 _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 . 800 'Equiped with a TCI cryoprobe' . . 15274 1 2 spectrometer_2 Bruker Avance . 600 'Equiped with a TCI cryoprobe' . . 15274 1 3 spectrometer_3 Varian INOVA . 600 . . . 15274 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 15274 _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 . . . . . . . . . . . . . . . . 15274 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15274 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15274 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15274 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15274 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15274 1 7 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15274 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 15274 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'referenced using tsp' 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 TSP 'methyl protons' . . . . ppm 0 external indirect . . . . . . . . . . 15274 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 15274 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect . . . . . . . . . . 15274 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 15274 _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' . . . 15274 1 2 '3D CBCA(CO)NH' . . . 15274 1 3 '3D HNCACB' . . . 15274 1 4 '3D HNCA' . . . 15274 1 5 '3D HN(CO)CA' . . . 15274 1 6 '3D HNCO' . . . 15274 1 7 '3D HCACO' . . . 15274 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $Felix . . 15274 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 5 5 SER H H 1 8.45 . . . . . . . 210 SER HN . 15274 1 2 . 1 1 5 5 SER CA C 13 58.17 . . . . . . . 210 SER CA . 15274 1 3 . 1 1 5 5 SER CB C 13 63.95 . . . . . . . 210 SER CB . 15274 1 4 . 1 1 5 5 SER N N 15 117.58 . . . . . . . 210 SER N . 15274 1 5 . 1 1 6 6 SER CA C 13 58.35 . . . . . . . 211 SER CA . 15274 1 6 . 1 1 6 6 SER CB C 13 63.95 . . . . . . . 211 SER CB . 15274 1 7 . 1 1 7 7 SER H H 1 8.47 . . . . . . . 212 SER HN . 15274 1 8 . 1 1 7 7 SER C C 13 176.72 . . . . . . . 212 SER CO . 15274 1 9 . 1 1 7 7 SER CA C 13 58.46 . . . . . . . 212 SER CA . 15274 1 10 . 1 1 7 7 SER CB C 13 63.95 . . . . . . . 212 SER CB . 15274 1 11 . 1 1 7 7 SER N N 15 119.08 . . . . . . . 212 SER N . 15274 1 12 . 1 1 8 8 SER H H 1 8.41 . . . . . . . 213 SER HN . 15274 1 13 . 1 1 8 8 SER C C 13 176.89 . . . . . . . 213 SER CO . 15274 1 14 . 1 1 8 8 SER CA C 13 58.69 . . . . . . . 213 SER CA . 15274 1 15 . 1 1 8 8 SER CB C 13 63.95 . . . . . . . 213 SER CB . 15274 1 16 . 1 1 8 8 SER N N 15 118.98 . . . . . . . 213 SER N . 15274 1 17 . 1 1 9 9 GLU H H 1 8.40 . . . . . . . 214 GLU HN . 15274 1 18 . 1 1 9 9 GLU C C 13 174.85 . . . . . . . 214 GLU CO . 15274 1 19 . 1 1 9 9 GLU CA C 13 56.75 . . . . . . . 214 GLU CA . 15274 1 20 . 1 1 9 9 GLU CB C 13 30.06 . . . . . . . 214 GLU CB . 15274 1 21 . 1 1 9 9 GLU N N 15 123.60 . . . . . . . 214 GLU N . 15274 1 22 . 1 1 10 10 SER H H 1 8.39 . . . . . . . 215 SER HN . 15274 1 23 . 1 1 10 10 SER C C 13 176.55 . . . . . . . 215 SER CO . 15274 1 24 . 1 1 10 10 SER CA C 13 58.35 . . . . . . . 215 SER CA . 15274 1 25 . 1 1 10 10 SER CB C 13 63.95 . . . . . . . 215 SER CB . 15274 1 26 . 1 1 10 10 SER N N 15 117.76 . . . . . . . 215 SER N . 15274 1 27 . 1 1 11 11 THR H H 1 8.23 . . . . . . . 216 THR HN . 15274 1 28 . 1 1 11 11 THR C C 13 176.36 . . . . . . . 216 THR CO . 15274 1 29 . 1 1 11 11 THR CA C 13 62.00 . . . . . . . 216 THR CA . 15274 1 30 . 1 1 11 11 THR CB C 13 69.74 . . . . . . . 216 THR CB . 15274 1 31 . 1 1 11 11 THR N N 15 116.60 . . . . . . . 216 THR N . 15274 1 32 . 1 1 12 12 GLY H H 1 8.41 . . . . . . . 217 GLY HN . 15274 1 33 . 1 1 12 12 GLY C C 13 177.63 . . . . . . . 217 GLY CO . 15274 1 34 . 1 1 12 12 GLY CA C 13 45.17 . . . . . . . 217 GLY CA . 15274 1 35 . 1 1 12 12 GLY N N 15 112.20 . . . . . . . 217 GLY N . 15274 1 36 . 1 1 13 13 THR H H 1 8.15 . . . . . . . 218 THR HN . 15274 1 37 . 1 1 13 13 THR C C 13 178.59 . . . . . . . 218 THR CO . 15274 1 38 . 1 1 13 13 THR CA C 13 59.77 . . . . . . . 218 THR CA . 15274 1 39 . 1 1 13 13 THR CB C 13 69.74 . . . . . . . 218 THR CB . 15274 1 40 . 1 1 13 13 THR N N 15 117.76 . . . . . . . 218 THR N . 15274 1 41 . 1 1 14 14 PRO C C 13 175.25 . . . . . . . 219 PRO CO . 15274 1 42 . 1 1 14 14 PRO CA C 13 62.96 . . . . . . . 219 PRO CA . 15274 1 43 . 1 1 14 14 PRO CB C 13 34.52 . . . . . . . 219 PRO CB . 15274 1 44 . 1 1 15 15 SER H H 1 8.64 . . . . . . . 220 SER HN . 15274 1 45 . 1 1 15 15 SER C C 13 177.55 . . . . . . . 220 SER CO . 15274 1 46 . 1 1 15 15 SER CA C 13 58.58 . . . . . . . 220 SER CA . 15274 1 47 . 1 1 15 15 SER CB C 13 63.95 . . . . . . . 220 SER CB . 15274 1 48 . 1 1 15 15 SER N N 15 117.89 . . . . . . . 220 SER N . 15274 1 49 . 1 1 16 16 ASN H H 1 8.35 . . . . . . . 221 ASN HN . 15274 1 50 . 1 1 16 16 ASN C C 13 178.02 . . . . . . . 221 ASN CO . 15274 1 51 . 1 1 16 16 ASN N N 15 126.41 . . . . . . . 221 ASN N . 15274 1 52 . 1 1 17 17 PRO C C 13 174.77 . . . . . . . 222 PRO CO . 15274 1 53 . 1 1 17 17 PRO CA C 13 63.71 . . . . . . . 222 PRO CA . 15274 1 54 . 1 1 17 17 PRO CB C 13 32.29 . . . . . . . 222 PRO CB . 15274 1 55 . 1 1 18 18 ASP H H 1 8.29 . . . . . . . 223 ASP HN . 15274 1 56 . 1 1 18 18 ASP C C 13 175.01 . . . . . . . 223 ASP CO . 15274 1 57 . 1 1 18 18 ASP CA C 13 54.64 . . . . . . . 223 ASP CA . 15274 1 58 . 1 1 18 18 ASP CB C 13 40.76 . . . . . . . 223 ASP CB . 15274 1 59 . 1 1 18 18 ASP N N 15 120.52 . . . . . . . 223 ASP N . 15274 1 60 . 1 1 19 19 LEU H H 1 7.98 . . . . . . . 224 LEU HN . 15274 1 61 . 1 1 19 19 LEU C C 13 174.17 . . . . . . . 224 LEU CO . 15274 1 62 . 1 1 19 19 LEU CA C 13 55.44 . . . . . . . 224 LEU CA . 15274 1 63 . 1 1 19 19 LEU CB C 13 42.55 . . . . . . . 224 LEU CB . 15274 1 64 . 1 1 19 19 LEU N N 15 123.19 . . . . . . . 224 LEU N . 15274 1 65 . 1 1 20 20 ASP H H 1 8.26 . . . . . . . 225 ASP HN . 15274 1 66 . 1 1 20 20 ASP C C 13 175.35 . . . . . . . 225 ASP CO . 15274 1 67 . 1 1 20 20 ASP CA C 13 54.46 . . . . . . . 225 ASP CA . 15274 1 68 . 1 1 20 20 ASP CB C 13 41.21 . . . . . . . 225 ASP CB . 15274 1 69 . 1 1 20 20 ASP N N 15 122.03 . . . . . . . 225 ASP N . 15274 1 70 . 1 1 21 21 ALA H H 1 8.18 . . . . . . . 226 ALA HN . 15274 1 71 . 1 1 21 21 ALA C C 13 173.08 . . . . . . . 226 ALA CO . 15274 1 72 . 1 1 21 21 ALA CA C 13 52.93 . . . . . . . 226 ALA CA . 15274 1 73 . 1 1 21 21 ALA CB C 13 18.92 . . . . . . . 226 ALA CB . 15274 1 74 . 1 1 21 21 ALA N N 15 125.78 . . . . . . . 226 ALA N . 15274 1 75 . 1 1 22 22 GLY H H 1 8.42 . . . . . . . 227 GLY HN . 15274 1 76 . 1 1 22 22 GLY C C 13 177.13 . . . . . . . 227 GLY CO . 15274 1 77 . 1 1 22 22 GLY CA C 13 45.46 . . . . . . . 227 GLY CA . 15274 1 78 . 1 1 22 22 GLY N N 15 108.92 . . . . . . . 227 GLY N . 15274 1 79 . 1 1 23 23 VAL H H 1 7.93 . . . . . . . 228 VAL HN . 15274 1 80 . 1 1 23 23 VAL C C 13 175.10 . . . . . . . 228 VAL CO . 15274 1 81 . 1 1 23 23 VAL CA C 13 62.34 . . . . . . . 228 VAL CA . 15274 1 82 . 1 1 23 23 VAL CB C 13 32.74 . . . . . . . 228 VAL CB . 15274 1 83 . 1 1 23 23 VAL N N 15 120.28 . . . . . . . 228 VAL N . 15274 1 84 . 1 1 24 24 SER H H 1 8.40 . . . . . . . 229 SER HN . 15274 1 85 . 1 1 24 24 SER C C 13 176.98 . . . . . . . 229 SER CO . 15274 1 86 . 1 1 24 24 SER CA C 13 58.29 . . . . . . . 229 SER CA . 15274 1 87 . 1 1 24 24 SER CB C 13 63.95 . . . . . . . 229 SER CB . 15274 1 88 . 1 1 24 24 SER N N 15 120.32 . . . . . . . 229 SER N . 15274 1 89 . 1 1 25 25 GLU H H 1 8.43 . . . . . . . 230 GLU HN . 15274 1 90 . 1 1 25 25 GLU C C 13 175.35 . . . . . . . 230 GLU CO . 15274 1 91 . 1 1 25 25 GLU CA C 13 56.75 . . . . . . . 230 GLU CA . 15274 1 92 . 1 1 25 25 GLU CB C 13 30.06 . . . . . . . 230 GLU CB . 15274 1 93 . 1 1 25 25 GLU N N 15 123.69 . . . . . . . 230 GLU N . 15274 1 94 . 1 1 26 26 HIS H H 1 8.45 . . . . . . . 231 HIS HN . 15274 1 95 . 1 1 26 26 HIS C C 13 177.11 . . . . . . . 231 HIS CO . 15274 1 96 . 1 1 26 26 HIS CA C 13 55.04 . . . . . . . 231 HIS CA . 15274 1 97 . 1 1 26 26 HIS CB C 13 29.17 . . . . . . . 231 HIS CB . 15274 1 98 . 1 1 26 26 HIS N N 15 120.17 . . . . . . . 231 HIS N . 15274 1 99 . 1 1 27 27 SER H H 1 8.38 . . . . . . . 232 SER HN . 15274 1 100 . 1 1 27 27 SER C C 13 176.51 . . . . . . . 232 SER CO . 15274 1 101 . 1 1 27 27 SER CA C 13 58.56 . . . . . . . 232 SER CA . 15274 1 102 . 1 1 27 27 SER CB C 13 63.95 . . . . . . . 232 SER CB . 15274 1 103 . 1 1 27 27 SER N N 15 118.72 . . . . . . . 232 SER N . 15274 1 104 . 1 1 28 28 GLY H H 1 8.51 . . . . . . . 233 GLY HN . 15274 1 105 . 1 1 28 28 GLY C C 13 177.55 . . . . . . . 233 GLY CO . 15274 1 106 . 1 1 28 28 GLY CA C 13 45.46 . . . . . . . 233 GLY CA . 15274 1 107 . 1 1 28 28 GLY N N 15 111.93 . . . . . . . 233 GLY N . 15274 1 108 . 1 1 29 29 ASP H H 1 8.21 . . . . . . . 234 ASP HN . 15274 1 109 . 1 1 29 29 ASP C C 13 175.42 . . . . . . . 234 ASP CO . 15274 1 110 . 1 1 29 29 ASP CA C 13 54.41 . . . . . . . 234 ASP CA . 15274 1 111 . 1 1 29 29 ASP CB C 13 40.96 . . . . . . . 234 ASP CB . 15274 1 112 . 1 1 29 29 ASP N N 15 121.60 . . . . . . . 234 ASP N . 15274 1 113 . 1 1 30 30 TRP H H 1 8.04 . . . . . . . 235 TRP HN . 15274 1 114 . 1 1 30 30 TRP C C 13 175.60 . . . . . . . 235 TRP CO . 15274 1 115 . 1 1 30 30 TRP CA C 13 57.49 . . . . . . . 235 TRP CA . 15274 1 116 . 1 1 30 30 TRP CB C 13 29.17 . . . . . . . 235 TRP CB . 15274 1 117 . 1 1 30 30 TRP N N 15 122.42 . . . . . . . 235 TRP N . 15274 1 118 . 1 1 31 31 LEU H H 1 8.14 . . . . . . . 236 LEU HN . 15274 1 119 . 1 1 31 31 LEU C C 13 174.94 . . . . . . . 236 LEU CO . 15274 1 120 . 1 1 31 31 LEU CA C 13 54.92 . . . . . . . 236 LEU CA . 15274 1 121 . 1 1 31 31 LEU CB C 13 42.61 . . . . . . . 236 LEU CB . 15274 1 122 . 1 1 31 31 LEU N N 15 122.37 . . . . . . . 236 LEU N . 15274 1 123 . 1 1 32 32 ASP H H 1 7.89 . . . . . . . 237 ASP HN . 15274 1 124 . 1 1 32 32 ASP C C 13 175.19 . . . . . . . 237 ASP CO . 15274 1 125 . 1 1 32 32 ASP CA C 13 54.24 . . . . . . . 237 ASP CA . 15274 1 126 . 1 1 32 32 ASP CB C 13 40.76 . . . . . . . 237 ASP CB . 15274 1 127 . 1 1 32 32 ASP N N 15 125.26 . . . . . . . 237 ASP N . 15274 1 128 . 1 1 33 33 GLN H H 1 8.29 . . . . . . . 238 GLN HN . 15274 1 129 . 1 1 33 33 GLN C C 13 175.57 . . . . . . . 238 GLN CO . 15274 1 130 . 1 1 33 33 GLN CA C 13 56.12 . . . . . . . 238 GLN CA . 15274 1 131 . 1 1 33 33 GLN CB C 13 29.62 . . . . . . . 238 GLN CB . 15274 1 132 . 1 1 33 33 GLN N N 15 121.90 . . . . . . . 238 GLN N . 15274 1 133 . 1 1 34 34 ASP H H 1 8.43 . . . . . . . 239 ASP HN . 15274 1 134 . 1 1 34 34 ASP C C 13 175.14 . . . . . . . 239 ASP CO . 15274 1 135 . 1 1 34 34 ASP CA C 13 54.76 . . . . . . . 239 ASP CA . 15274 1 136 . 1 1 34 34 ASP CB C 13 41.20 . . . . . . . 239 ASP CB . 15274 1 137 . 1 1 34 34 ASP N N 15 122.18 . . . . . . . 239 ASP N . 15274 1 138 . 1 1 35 35 SER H H 1 8.16 . . . . . . . 240 SER HN . 15274 1 139 . 1 1 35 35 SER C C 13 176.92 . . . . . . . 240 SER CO . 15274 1 140 . 1 1 35 35 SER CA C 13 58.46 . . . . . . . 240 SER CA . 15274 1 141 . 1 1 35 35 SER CB C 13 63.95 . . . . . . . 240 SER CB . 15274 1 142 . 1 1 35 35 SER N N 15 117.11 . . . . . . . 240 SER N . 15274 1 143 . 1 1 36 36 VAL H H 1 8.13 . . . . . . . 241 VAL HN . 15274 1 144 . 1 1 36 36 VAL C C 13 175.18 . . . . . . . 241 VAL CO . 15274 1 145 . 1 1 36 36 VAL CA C 13 62.34 . . . . . . . 241 VAL CA . 15274 1 146 . 1 1 36 36 VAL CB C 13 32.73 . . . . . . . 241 VAL CB . 15274 1 147 . 1 1 36 36 VAL N N 15 122.59 . . . . . . . 241 VAL N . 15274 1 148 . 1 1 37 37 SER H H 1 8.37 . . . . . . . 242 SER HN . 15274 1 149 . 1 1 37 37 SER C C 13 177.09 . . . . . . . 242 SER CO . 15274 1 150 . 1 1 37 37 SER CA C 13 58.41 . . . . . . . 242 SER CA . 15274 1 151 . 1 1 37 37 SER CB C 13 63.95 . . . . . . . 242 SER CB . 15274 1 152 . 1 1 37 37 SER N N 15 120.32 . . . . . . . 242 SER N . 15274 1 153 . 1 1 38 38 ASP H H 1 8.37 . . . . . . . 243 ASP HN . 15274 1 154 . 1 1 38 38 ASP C C 13 175.25 . . . . . . . 243 ASP CO . 15274 1 155 . 1 1 38 38 ASP CA C 13 54.41 . . . . . . . 243 ASP CA . 15274 1 156 . 1 1 38 38 ASP CB C 13 41.21 . . . . . . . 243 ASP CB . 15274 1 157 . 1 1 38 38 ASP N N 15 123.83 . . . . . . . 243 ASP N . 15274 1 158 . 1 1 39 39 GLN H H 1 8.24 . . . . . . . 244 GLN HN . 15274 1 159 . 1 1 39 39 GLN C C 13 175.83 . . . . . . . 244 GLN CO . 15274 1 160 . 1 1 39 39 GLN CA C 13 56.01 . . . . . . . 244 GLN CA . 15274 1 161 . 1 1 39 39 GLN CB C 13 29.17 . . . . . . . 244 GLN CB . 15274 1 162 . 1 1 39 39 GLN N N 15 121.22 . . . . . . . 244 GLN N . 15274 1 163 . 1 1 40 40 PHE H H 1 8.20 . . . . . . . 245 PHE HN . 15274 1 164 . 1 1 40 40 PHE C C 13 175.86 . . . . . . . 245 PHE CO . 15274 1 165 . 1 1 40 40 PHE CA C 13 57.61 . . . . . . . 245 PHE CA . 15274 1 166 . 1 1 40 40 PHE CB C 13 39.42 . . . . . . . 245 PHE CB . 15274 1 167 . 1 1 40 40 PHE N N 15 121.83 . . . . . . . 245 PHE N . 15274 1 168 . 1 1 41 41 SER H H 1 8.15 . . . . . . . 246 SER HN . 15274 1 169 . 1 1 41 41 SER C C 13 177.28 . . . . . . . 246 SER CO . 15274 1 170 . 1 1 41 41 SER CA C 13 58.12 . . . . . . . 246 SER CA . 15274 1 171 . 1 1 41 41 SER CB C 13 63.95 . . . . . . . 246 SER CB . 15274 1 172 . 1 1 41 41 SER N N 15 118.69 . . . . . . . 246 SER N . 15274 1 173 . 1 1 42 42 VAL H H 1 8.14 . . . . . . . 247 VAL HN . 15274 1 174 . 1 1 42 42 VAL C C 13 175.57 . . . . . . . 247 VAL CO . 15274 1 175 . 1 1 42 42 VAL CA C 13 62.17 . . . . . . . 247 VAL CA . 15274 1 176 . 1 1 42 42 VAL CB C 13 32.73 . . . . . . . 247 VAL CB . 15274 1 177 . 1 1 42 42 VAL N N 15 122.76 . . . . . . . 247 VAL N . 15274 1 178 . 1 1 43 43 GLU H H 1 8.37 . . . . . . . 248 GLU HN . 15274 1 179 . 1 1 43 43 GLU C C 13 175.61 . . . . . . . 248 GLU CO . 15274 1 180 . 1 1 43 43 GLU CA C 13 56.47 . . . . . . . 248 GLU CA . 15274 1 181 . 1 1 43 43 GLU CB C 13 30.50 . . . . . . . 248 GLU CB . 15274 1 182 . 1 1 43 43 GLU N N 15 125.21 . . . . . . . 248 GLU N . 15274 1 183 . 1 1 44 44 PHE H H 1 8.14 . . . . . . . 249 PHE HN . 15274 1 184 . 1 1 44 44 PHE C C 13 176.20 . . . . . . . 249 PHE CO . 15274 1 185 . 1 1 44 44 PHE CA C 13 57.44 . . . . . . . 249 PHE CA . 15274 1 186 . 1 1 44 44 PHE CB C 13 39.87 . . . . . . . 249 PHE CB . 15274 1 187 . 1 1 44 44 PHE N N 15 122.14 . . . . . . . 249 PHE N . 15274 1 188 . 1 1 45 45 GLU H H 1 8.32 . . . . . . . 250 GLU HN . 15274 1 189 . 1 1 45 45 GLU C C 13 175.57 . . . . . . . 250 GLU CO . 15274 1 190 . 1 1 45 45 GLU CA C 13 56.18 . . . . . . . 250 GLU CA . 15274 1 191 . 1 1 45 45 GLU CB C 13 30.50 . . . . . . . 250 GLU CB . 15274 1 192 . 1 1 45 45 GLU N N 15 124.21 . . . . . . . 250 GLU N . 15274 1 193 . 1 1 46 46 VAL H H 1 8.24 . . . . . . . 251 VAL HN . 15274 1 194 . 1 1 46 46 VAL C C 13 175.37 . . . . . . . 251 VAL CO . 15274 1 195 . 1 1 46 46 VAL CA C 13 62.28 . . . . . . . 251 VAL CA . 15274 1 196 . 1 1 46 46 VAL CB C 13 33.18 . . . . . . . 251 VAL CB . 15274 1 197 . 1 1 46 46 VAL N N 15 123.06 . . . . . . . 251 VAL N . 15274 1 198 . 1 1 47 47 GLU H H 1 8.56 . . . . . . . 252 GLU HN . 15274 1 199 . 1 1 47 47 GLU C C 13 175.22 . . . . . . . 252 GLU CO . 15274 1 200 . 1 1 47 47 GLU CA C 13 56.52 . . . . . . . 252 GLU CA . 15274 1 201 . 1 1 47 47 GLU CB C 13 30.51 . . . . . . . 252 GLU CB . 15274 1 202 . 1 1 47 47 GLU N N 15 126.26 . . . . . . . 252 GLU N . 15274 1 203 . 1 1 48 48 SER H H 1 8.43 . . . . . . . 253 SER HN . 15274 1 204 . 1 1 48 48 SER C C 13 177.08 . . . . . . . 253 SER CO . 15274 1 205 . 1 1 48 48 SER CA C 13 58.01 . . . . . . . 253 SER CA . 15274 1 206 . 1 1 48 48 SER CB C 13 63.95 . . . . . . . 253 SER CB . 15274 1 207 . 1 1 48 48 SER N N 15 118.83 . . . . . . . 253 SER N . 15274 1 208 . 1 1 49 49 LEU H H 1 8.40 . . . . . . . 254 LEU HN . 15274 1 209 . 1 1 49 49 LEU C C 13 174.34 . . . . . . . 254 LEU CO . 15274 1 210 . 1 1 49 49 LEU CA C 13 55.10 . . . . . . . 254 LEU CA . 15274 1 211 . 1 1 49 49 LEU CB C 13 42.55 . . . . . . . 254 LEU CB . 15274 1 212 . 1 1 49 49 LEU N N 15 126.15 . . . . . . . 254 LEU N . 15274 1 213 . 1 1 50 50 ASP H H 1 8.40 . . . . . . . 255 ASP HN . 15274 1 214 . 1 1 50 50 ASP C C 13 175.29 . . . . . . . 255 ASP CO . 15274 1 215 . 1 1 50 50 ASP CA C 13 54.36 . . . . . . . 255 ASP CA . 15274 1 216 . 1 1 50 50 ASP CB C 13 41.21 . . . . . . . 255 ASP CB . 15274 1 217 . 1 1 50 50 ASP N N 15 122.62 . . . . . . . 255 ASP N . 15274 1 218 . 1 1 51 51 SER H H 1 8.25 . . . . . . . 256 SER HN . 15274 1 219 . 1 1 51 51 SER C C 13 176.87 . . . . . . . 256 SER CO . 15274 1 220 . 1 1 51 51 SER CA C 13 58.40 . . . . . . . 256 SER CA . 15274 1 221 . 1 1 51 51 SER CB C 13 63.95 . . . . . . . 256 SER CB . 15274 1 222 . 1 1 51 51 SER N N 15 117.43 . . . . . . . 256 SER N . 15274 1 223 . 1 1 52 52 GLU H H 1 8.43 . . . . . . . 257 GLU HN . 15274 1 224 . 1 1 52 52 GLU C C 13 175.72 . . . . . . . 257 GLU CO . 15274 1 225 . 1 1 52 52 GLU CA C 13 56.47 . . . . . . . 257 GLU CA . 15274 1 226 . 1 1 52 52 GLU CB C 13 30.06 . . . . . . . 257 GLU CB . 15274 1 227 . 1 1 52 52 GLU N N 15 123.96 . . . . . . . 257 GLU N . 15274 1 228 . 1 1 53 53 ASP H H 1 8.27 . . . . . . . 258 ASP HN . 15274 1 229 . 1 1 53 53 ASP C C 13 175.45 . . . . . . . 258 ASP CO . 15274 1 230 . 1 1 53 53 ASP CA C 13 54.07 . . . . . . . 258 ASP CA . 15274 1 231 . 1 1 53 53 ASP CB C 13 41.21 . . . . . . . 258 ASP CB . 15274 1 232 . 1 1 53 53 ASP N N 15 122.30 . . . . . . . 258 ASP N . 15274 1 233 . 1 1 54 54 TYR H H 1 8.19 . . . . . . . 259 TYR HN . 15274 1 234 . 1 1 54 54 TYR C C 13 175.45 . . . . . . . 259 TYR CO . 15274 1 235 . 1 1 54 54 TYR CA C 13 58.00 . . . . . . . 259 TYR CA . 15274 1 236 . 1 1 54 54 TYR CB C 13 38.53 . . . . . . . 259 TYR CB . 15274 1 237 . 1 1 54 54 TYR N N 15 123.28 . . . . . . . 259 TYR N . 15274 1 238 . 1 1 55 55 SER H H 1 8.30 . . . . . . . 260 SER HN . 15274 1 239 . 1 1 55 55 SER C C 13 177.09 . . . . . . . 260 SER CO . 15274 1 240 . 1 1 55 55 SER CA C 13 58.75 . . . . . . . 260 SER CA . 15274 1 241 . 1 1 55 55 SER CB C 13 63.95 . . . . . . . 260 SER CB . 15274 1 242 . 1 1 55 55 SER N N 15 118.85 . . . . . . . 260 SER N . 15274 1 243 . 1 1 56 56 LEU H H 1 8.14 . . . . . . . 261 LEU HN . 15274 1 244 . 1 1 56 56 LEU C C 13 174.03 . . . . . . . 261 LEU CO . 15274 1 245 . 1 1 56 56 LEU CA C 13 55.21 . . . . . . . 261 LEU CA . 15274 1 246 . 1 1 56 56 LEU CB C 13 42.55 . . . . . . . 261 LEU CB . 15274 1 247 . 1 1 56 56 LEU N N 15 125.11 . . . . . . . 261 LEU N . 15274 1 248 . 1 1 57 57 SER H H 1 8.26 . . . . . . . 262 SER HN . 15274 1 249 . 1 1 57 57 SER C C 13 176.89 . . . . . . . 262 SER CO . 15274 1 250 . 1 1 57 57 SER CA C 13 58.34 . . . . . . . 262 SER CA . 15274 1 251 . 1 1 57 57 SER CB C 13 63.95 . . . . . . . 262 SER CB . 15274 1 252 . 1 1 57 57 SER N N 15 117.84 . . . . . . . 262 SER N . 15274 1 253 . 1 1 58 58 GLU H H 1 8.49 . . . . . . . 263 GLU HN . 15274 1 254 . 1 1 58 58 GLU C C 13 174.93 . . . . . . . 263 GLU CO . 15274 1 255 . 1 1 58 58 GLU CA C 13 56.58 . . . . . . . 263 GLU CA . 15274 1 256 . 1 1 58 58 GLU CB C 13 30.06 . . . . . . . 263 GLU CB . 15274 1 257 . 1 1 58 58 GLU N N 15 124.15 . . . . . . . 263 GLU N . 15274 1 258 . 1 1 59 59 GLU H H 1 8.45 . . . . . . . 264 GLU HN . 15274 1 259 . 1 1 59 59 GLU C C 13 174.40 . . . . . . . 264 GLU CO . 15274 1 260 . 1 1 59 59 GLU CA C 13 56.86 . . . . . . . 264 GLU CA . 15274 1 261 . 1 1 59 59 GLU CB C 13 30.06 . . . . . . . 264 GLU CB . 15274 1 262 . 1 1 59 59 GLU N N 15 123.07 . . . . . . . 264 GLU N . 15274 1 263 . 1 1 60 60 GLY H H 1 8.52 . . . . . . . 265 GLY HN . 15274 1 264 . 1 1 60 60 GLY C C 13 177.35 . . . . . . . 265 GLY CO . 15274 1 265 . 1 1 60 60 GLY CA C 13 45.40 . . . . . . . 265 GLY CA . 15274 1 266 . 1 1 60 60 GLY N N 15 111.42 . . . . . . . 265 GLY N . 15274 1 267 . 1 1 61 61 GLN H H 1 8.21 . . . . . . . 266 GLN HN . 15274 1 268 . 1 1 61 61 GLN C C 13 175.65 . . . . . . . 266 GLN CO . 15274 1 269 . 1 1 61 61 GLN CA C 13 55.66 . . . . . . . 266 GLN CA . 15274 1 270 . 1 1 61 61 GLN CB C 13 30.06 . . . . . . . 266 GLN CB . 15274 1 271 . 1 1 61 61 GLN N N 15 120.92 . . . . . . . 266 GLN N . 15274 1 272 . 1 1 62 62 GLU H H 1 8.60 . . . . . . . 267 GLU HN . 15274 1 273 . 1 1 62 62 GLU C C 13 175.25 . . . . . . . 267 GLU CO . 15274 1 274 . 1 1 62 62 GLU CA C 13 56.46 . . . . . . . 267 GLU CA . 15274 1 275 . 1 1 62 62 GLU CB C 13 30.06 . . . . . . . 267 GLU CB . 15274 1 276 . 1 1 62 62 GLU N N 15 123.81 . . . . . . . 267 GLU N . 15274 1 277 . 1 1 63 63 LEU H H 1 8.40 . . . . . . . 268 LEU HN . 15274 1 278 . 1 1 63 63 LEU C C 13 174.22 . . . . . . . 268 LEU CO . 15274 1 279 . 1 1 63 63 LEU CA C 13 54.93 . . . . . . . 268 LEU CA . 15274 1 280 . 1 1 63 63 LEU CB C 13 42.55 . . . . . . . 268 LEU CB . 15274 1 281 . 1 1 63 63 LEU N N 15 125.33 . . . . . . . 268 LEU N . 15274 1 282 . 1 1 64 64 SER H H 1 8.44 . . . . . . . 269 SER HN . 15274 1 283 . 1 1 64 64 SER C C 13 177.22 . . . . . . . 269 SER CO . 15274 1 284 . 1 1 64 64 SER CA C 13 57.95 . . . . . . . 269 SER CA . 15274 1 285 . 1 1 64 64 SER CB C 13 64.39 . . . . . . . 269 SER CB . 15274 1 286 . 1 1 64 64 SER N N 15 118.38 . . . . . . . 269 SER N . 15274 1 287 . 1 1 65 65 ASP H H 1 8.49 . . . . . . . 270 ASP HN . 15274 1 288 . 1 1 65 65 ASP C C 13 175.23 . . . . . . . 270 ASP CO . 15274 1 289 . 1 1 65 65 ASP CA C 13 54.30 . . . . . . . 270 ASP CA . 15274 1 290 . 1 1 65 65 ASP CB C 13 41.21 . . . . . . . 270 ASP CB . 15274 1 291 . 1 1 65 65 ASP N N 15 124.30 . . . . . . . 270 ASP N . 15274 1 292 . 1 1 66 66 GLU H H 1 8.38 . . . . . . . 271 GLU HN . 15274 1 293 . 1 1 66 66 GLU C C 13 175.28 . . . . . . . 271 GLU CO . 15274 1 294 . 1 1 66 66 GLU CA C 13 56.64 . . . . . . . 271 GLU CA . 15274 1 295 . 1 1 66 66 GLU CB C 13 30.50 . . . . . . . 271 GLU CB . 15274 1 296 . 1 1 66 66 GLU N N 15 122.09 . . . . . . . 271 GLU N . 15274 1 297 . 1 1 67 67 ASP H H 1 8.40 . . . . . . . 272 ASP HN . 15274 1 298 . 1 1 67 67 ASP C C 13 175.51 . . . . . . . 272 ASP CO . 15274 1 299 . 1 1 67 67 ASP CA C 13 54.36 . . . . . . . 272 ASP CA . 15274 1 300 . 1 1 67 67 ASP CB C 13 41.21 . . . . . . . 272 ASP CB . 15274 1 301 . 1 1 67 67 ASP N N 15 122.70 . . . . . . . 272 ASP N . 15274 1 302 . 1 1 68 68 ASP H H 1 8.31 . . . . . . . 273 ASP HN . 15274 1 303 . 1 1 68 68 ASP C C 13 175.09 . . . . . . . 273 ASP CO . 15274 1 304 . 1 1 68 68 ASP CA C 13 54.47 . . . . . . . 273 ASP CA . 15274 1 305 . 1 1 68 68 ASP CB C 13 41.21 . . . . . . . 273 ASP CB . 15274 1 306 . 1 1 68 68 ASP N N 15 122.43 . . . . . . . 273 ASP N . 15274 1 307 . 1 1 69 69 GLU H H 1 8.35 . . . . . . . 274 GLU HN . 15274 1 308 . 1 1 69 69 GLU C C 13 175.01 . . . . . . . 274 GLU CO . 15274 1 309 . 1 1 69 69 GLU CA C 13 56.87 . . . . . . . 274 GLU CA . 15274 1 310 . 1 1 69 69 GLU CB C 13 30.06 . . . . . . . 274 GLU CB . 15274 1 311 . 1 1 69 69 GLU N N 15 122.51 . . . . . . . 274 GLU N . 15274 1 312 . 1 1 70 70 VAL H H 1 8.08 . . . . . . . 275 VAL HN . 15274 1 313 . 1 1 70 70 VAL C C 13 175.47 . . . . . . . 275 VAL CO . 15274 1 314 . 1 1 70 70 VAL CA C 13 62.68 . . . . . . . 275 VAL CA . 15274 1 315 . 1 1 70 70 VAL CB C 13 32.74 . . . . . . . 275 VAL CB . 15274 1 316 . 1 1 70 70 VAL N N 15 122.12 . . . . . . . 275 VAL N . 15274 1 317 . 1 1 71 71 TYR H H 1 8.21 . . . . . . . 276 TYR HN . 15274 1 318 . 1 1 71 71 TYR C C 13 175.93 . . . . . . . 276 TYR CO . 15274 1 319 . 1 1 71 71 TYR CA C 13 57.95 . . . . . . . 276 TYR CA . 15274 1 320 . 1 1 71 71 TYR CB C 13 38.98 . . . . . . . 276 TYR CB . 15274 1 321 . 1 1 71 71 TYR N N 15 125.21 . . . . . . . 276 TYR N . 15274 1 322 . 1 1 72 72 GLN H H 1 8.19 . . . . . . . 277 GLN HN . 15274 1 323 . 1 1 72 72 GLN C C 13 176.11 . . . . . . . 277 GLN CO . 15274 1 324 . 1 1 72 72 GLN CA C 13 55.44 . . . . . . . 277 GLN CA . 15274 1 325 . 1 1 72 72 GLN CB C 13 29.61 . . . . . . . 277 GLN CB . 15274 1 326 . 1 1 72 72 GLN N N 15 123.85 . . . . . . . 277 GLN N . 15274 1 327 . 1 1 73 73 VAL H H 1 8.17 . . . . . . . 278 VAL HN . 15274 1 328 . 1 1 73 73 VAL C C 13 175.25 . . . . . . . 278 VAL CO . 15274 1 329 . 1 1 73 73 VAL CA C 13 62.39 . . . . . . . 278 VAL CA . 15274 1 330 . 1 1 73 73 VAL CB C 13 32.74 . . . . . . . 278 VAL CB . 15274 1 331 . 1 1 73 73 VAL N N 15 123.16 . . . . . . . 278 VAL N . 15274 1 332 . 1 1 74 74 THR H H 1 8.30 . . . . . . . 279 THR HN . 15274 1 333 . 1 1 74 74 THR C C 13 177.44 . . . . . . . 279 THR CO . 15274 1 334 . 1 1 74 74 THR CA C 13 62.11 . . . . . . . 279 THR CA . 15274 1 335 . 1 1 74 74 THR CB C 13 69.74 . . . . . . . 279 THR CB . 15274 1 336 . 1 1 74 74 THR N N 15 120.85 . . . . . . . 279 THR N . 15274 1 337 . 1 1 75 75 VAL H H 1 8.19 . . . . . . . 280 VAL HN . 15274 1 338 . 1 1 75 75 VAL C C 13 176.00 . . . . . . . 280 VAL CO . 15274 1 339 . 1 1 75 75 VAL CA C 13 62.11 . . . . . . . 280 VAL CA . 15274 1 340 . 1 1 75 75 VAL CB C 13 32.74 . . . . . . . 280 VAL CB . 15274 1 341 . 1 1 75 75 VAL N N 15 124.83 . . . . . . . 280 VAL N . 15274 1 342 . 1 1 76 76 TYR H H 1 8.35 . . . . . . . 281 TYR HN . 15274 1 343 . 1 1 76 76 TYR C C 13 176.08 . . . . . . . 281 TYR CO . 15274 1 344 . 1 1 76 76 TYR CA C 13 58.01 . . . . . . . 281 TYR CA . 15274 1 345 . 1 1 76 76 TYR CB C 13 38.98 . . . . . . . 281 TYR CB . 15274 1 346 . 1 1 76 76 TYR N N 15 126.22 . . . . . . . 281 TYR N . 15274 1 347 . 1 1 77 77 GLN H H 1 8.28 . . . . . . . 282 GLN HN . 15274 1 348 . 1 1 77 77 GLN C C 13 176.57 . . . . . . . 282 GLN CO . 15274 1 349 . 1 1 77 77 GLN CA C 13 55.15 . . . . . . . 282 GLN CA . 15274 1 350 . 1 1 77 77 GLN CB C 13 30.06 . . . . . . . 282 GLN CB . 15274 1 351 . 1 1 77 77 GLN N N 15 125.04 . . . . . . . 282 GLN N . 15274 1 352 . 1 1 78 78 ALA H H 1 8.35 . . . . . . . 283 ALA HN . 15274 1 353 . 1 1 78 78 ALA C C 13 173.34 . . . . . . . 283 ALA CO . 15274 1 354 . 1 1 78 78 ALA CA C 13 52.70 . . . . . . . 283 ALA CA . 15274 1 355 . 1 1 78 78 ALA CB C 13 18.92 . . . . . . . 283 ALA CB . 15274 1 356 . 1 1 78 78 ALA N N 15 127.46 . . . . . . . 283 ALA N . 15274 1 357 . 1 1 79 79 GLY H H 1 8.43 . . . . . . . 284 GLY HN . 15274 1 358 . 1 1 79 79 GLY C C 13 177.30 . . . . . . . 284 GLY CO . 15274 1 359 . 1 1 79 79 GLY CA C 13 45.17 . . . . . . . 284 GLY CA . 15274 1 360 . 1 1 79 79 GLY N N 15 109.80 . . . . . . . 284 GLY N . 15274 1 361 . 1 1 80 80 GLU H H 1 8.33 . . . . . . . 285 GLU HN . 15274 1 362 . 1 1 80 80 GLU C C 13 174.89 . . . . . . . 285 GLU CO . 15274 1 363 . 1 1 80 80 GLU CA C 13 56.58 . . . . . . . 285 GLU CA . 15274 1 364 . 1 1 80 80 GLU CB C 13 30.51 . . . . . . . 285 GLU CB . 15274 1 365 . 1 1 80 80 GLU N N 15 121.78 . . . . . . . 285 GLU N . 15274 1 366 . 1 1 81 81 SER H H 1 8.44 . . . . . . . 286 SER HN . 15274 1 367 . 1 1 81 81 SER C C 13 177.27 . . . . . . . 286 SER CO . 15274 1 368 . 1 1 81 81 SER CA C 13 58.17 . . . . . . . 286 SER CA . 15274 1 369 . 1 1 81 81 SER CB C 13 64.31 . . . . . . . 286 SER CB . 15274 1 370 . 1 1 81 81 SER N N 15 117.29 . . . . . . . 286 SER N . 15274 1 371 . 1 1 82 82 ASP H H 1 8.47 . . . . . . . 287 ASP HN . 15274 1 372 . 1 1 82 82 ASP C C 13 175.02 . . . . . . . 287 ASP CO . 15274 1 373 . 1 1 82 82 ASP CA C 13 54.41 . . . . . . . 287 ASP CA . 15274 1 374 . 1 1 82 82 ASP CB C 13 41.21 . . . . . . . 287 ASP CB . 15274 1 375 . 1 1 82 82 ASP N N 15 123.87 . . . . . . . 287 ASP N . 15274 1 376 . 1 1 83 83 THR H H 1 8.14 . . . . . . . 288 THR HN . 15274 1 377 . 1 1 83 83 THR C C 13 177.06 . . . . . . . 288 THR CO . 15274 1 378 . 1 1 83 83 THR CA C 13 61.88 . . . . . . . 288 THR CA . 15274 1 379 . 1 1 83 83 THR CB C 13 69.74 . . . . . . . 288 THR CB . 15274 1 380 . 1 1 83 83 THR N N 15 114.90 . . . . . . . 288 THR N . 15274 1 381 . 1 1 84 84 ASP H H 1 8.36 . . . . . . . 289 ASP HN . 15274 1 382 . 1 1 84 84 ASP C C 13 175.43 . . . . . . . 289 ASP CO . 15274 1 383 . 1 1 84 84 ASP CA C 13 54.53 . . . . . . . 289 ASP CA . 15274 1 384 . 1 1 84 84 ASP CB C 13 41.21 . . . . . . . 289 ASP CB . 15274 1 385 . 1 1 84 84 ASP N N 15 124.09 . . . . . . . 289 ASP N . 15274 1 386 . 1 1 85 85 SER H H 1 8.17 . . . . . . . 290 SER HN . 15274 1 387 . 1 1 85 85 SER C C 13 177.47 . . . . . . . 290 SER CO . 15274 1 388 . 1 1 85 85 SER CA C 13 58.17 . . . . . . . 290 SER CA . 15274 1 389 . 1 1 85 85 SER CB C 13 63.95 . . . . . . . 290 SER CB . 15274 1 390 . 1 1 85 85 SER N N 15 116.97 . . . . . . . 290 SER N . 15274 1 391 . 1 1 86 86 PHE H H 1 8.26 . . . . . . . 291 PHE HN . 15274 1 392 . 1 1 86 86 PHE C C 13 176.11 . . . . . . . 291 PHE CO . 15274 1 393 . 1 1 86 86 PHE CA C 13 57.61 . . . . . . . 291 PHE CA . 15274 1 394 . 1 1 86 86 PHE CB C 13 39.87 . . . . . . . 291 PHE CB . 15274 1 395 . 1 1 86 86 PHE N N 15 123.55 . . . . . . . 291 PHE N . 15274 1 396 . 1 1 87 87 GLU H H 1 8.25 . . . . . . . 292 GLU HN . 15274 1 397 . 1 1 87 87 GLU C C 13 175.80 . . . . . . . 292 GLU CO . 15274 1 398 . 1 1 87 87 GLU CA C 13 56.07 . . . . . . . 292 GLU CA . 15274 1 399 . 1 1 87 87 GLU CB C 13 30.50 . . . . . . . 292 GLU CB . 15274 1 400 . 1 1 87 87 GLU N N 15 124.09 . . . . . . . 292 GLU N . 15274 1 401 . 1 1 88 88 GLU H H 1 8.35 . . . . . . . 293 GLU HN . 15274 1 402 . 1 1 88 88 GLU C C 13 175.75 . . . . . . . 293 GLU CO . 15274 1 403 . 1 1 88 88 GLU CA C 13 56.12 . . . . . . . 293 GLU CA . 15274 1 404 . 1 1 88 88 GLU CB C 13 30.50 . . . . . . . 293 GLU CB . 15274 1 405 . 1 1 88 88 GLU N N 15 123.54 . . . . . . . 293 GLU N . 15274 1 406 . 1 1 89 89 ASP H H 1 8.54 . . . . . . . 294 ASP HN . 15274 1 407 . 1 1 89 89 ASP C C 13 176.77 . . . . . . . 294 ASP CO . 15274 1 408 . 1 1 89 89 ASP CA C 13 52.25 . . . . . . . 294 ASP CA . 15274 1 409 . 1 1 89 89 ASP CB C 13 41.21 . . . . . . . 294 ASP CB . 15274 1 410 . 1 1 89 89 ASP N N 15 124.70 . . . . . . . 294 ASP N . 15274 1 411 . 1 1 90 90 PRO C C 13 174.21 . . . . . . . 295 PRO CO . 15274 1 412 . 1 1 90 90 PRO CA C 13 63.48 . . . . . . . 295 PRO CA . 15274 1 413 . 1 1 90 90 PRO CB C 13 32.29 . . . . . . . 295 PRO CB . 15274 1 414 . 1 1 91 91 GLU H H 1 8.51 . . . . . . . 296 GLU HN . 15274 1 415 . 1 1 91 91 GLU C C 13 174.59 . . . . . . . 296 GLU CO . 15274 1 416 . 1 1 91 91 GLU CA C 13 56.92 . . . . . . . 296 GLU CA . 15274 1 417 . 1 1 91 91 GLU CB C 13 30.06 . . . . . . . 296 GLU CB . 15274 1 418 . 1 1 91 91 GLU N N 15 121.07 . . . . . . . 296 GLU N . 15274 1 419 . 1 1 92 92 ILE H H 1 7.94 . . . . . . . 297 ILE HN . 15274 1 420 . 1 1 92 92 ILE C C 13 175.19 . . . . . . . 297 ILE CO . 15274 1 421 . 1 1 92 92 ILE CA C 13 61.37 . . . . . . . 297 ILE CA . 15274 1 422 . 1 1 92 92 ILE CB C 13 38.97 . . . . . . . 297 ILE CB . 15274 1 423 . 1 1 92 92 ILE N N 15 122.21 . . . . . . . 297 ILE N . 15274 1 424 . 1 1 93 93 SER H H 1 8.33 . . . . . . . 298 SER HN . 15274 1 425 . 1 1 93 93 SER C C 13 176.71 . . . . . . . 298 SER CO . 15274 1 426 . 1 1 93 93 SER CA C 13 58.23 . . . . . . . 298 SER CA . 15274 1 427 . 1 1 93 93 SER CB C 13 63.50 . . . . . . . 298 SER CB . 15274 1 428 . 1 1 93 93 SER N N 15 120.35 . . . . . . . 298 SER N . 15274 1 429 . 1 1 94 94 LEU H H 1 8.25 . . . . . . . 299 LEU HN . 15274 1 430 . 1 1 94 94 LEU C C 13 174.16 . . . . . . . 299 LEU CO . 15274 1 431 . 1 1 94 94 LEU CA C 13 55.44 . . . . . . . 299 LEU CA . 15274 1 432 . 1 1 94 94 LEU CB C 13 42.10 . . . . . . . 299 LEU CB . 15274 1 433 . 1 1 94 94 LEU N N 15 125.88 . . . . . . . 299 LEU N . 15274 1 434 . 1 1 95 95 ALA H H 1 8.10 . . . . . . . 300 ALA HN . 15274 1 435 . 1 1 95 95 ALA C C 13 173.77 . . . . . . . 300 ALA CO . 15274 1 436 . 1 1 95 95 ALA CA C 13 52.98 . . . . . . . 300 ALA CA . 15274 1 437 . 1 1 95 95 ALA CB C 13 18.92 . . . . . . . 300 ALA CB . 15274 1 438 . 1 1 95 95 ALA N N 15 124.69 . . . . . . . 300 ALA N . 15274 1 439 . 1 1 96 96 ASP H H 1 8.11 . . . . . . . 301 ASP HN . 15274 1 440 . 1 1 96 96 ASP C C 13 175.42 . . . . . . . 301 ASP CO . 15274 1 441 . 1 1 96 96 ASP CA C 13 54.47 . . . . . . . 301 ASP CA . 15274 1 442 . 1 1 96 96 ASP CB C 13 40.76 . . . . . . . 301 ASP CB . 15274 1 443 . 1 1 96 96 ASP N N 15 119.45 . . . . . . . 301 ASP N . 15274 1 444 . 1 1 97 97 TYR H H 1 7.72 . . . . . . . 302 TYR HN . 15274 1 445 . 1 1 97 97 TYR C C 13 176.07 . . . . . . . 302 TYR CO . 15274 1 446 . 1 1 97 97 TYR CA C 13 58.41 . . . . . . . 302 TYR CA . 15274 1 447 . 1 1 97 97 TYR CB C 13 38.53 . . . . . . . 302 TYR CB . 15274 1 448 . 1 1 97 97 TYR N N 15 120.70 . . . . . . . 302 TYR N . 15274 1 449 . 1 1 98 98 TRP H H 1 7.76 . . . . . . . 303 TRP HN . 15274 1 450 . 1 1 98 98 TRP C C 13 176.57 . . . . . . . 303 TRP CO . 15274 1 451 . 1 1 98 98 TRP CA C 13 56.81 . . . . . . . 303 TRP CA . 15274 1 452 . 1 1 98 98 TRP CB C 13 29.62 . . . . . . . 303 TRP CB . 15274 1 453 . 1 1 98 98 TRP N N 15 122.56 . . . . . . . 303 TRP N . 15274 1 454 . 1 1 99 99 LYS H H 1 7.45 . . . . . . . 304 LYS HN . 15274 1 455 . 1 1 99 99 LYS C C 13 170.55 . . . . . . . 304 LYS CO . 15274 1 456 . 1 1 99 99 LYS CA C 13 57.83 . . . . . . . 304 LYS CA . 15274 1 457 . 1 1 99 99 LYS CB C 13 33.63 . . . . . . . 304 LYS CB . 15274 1 458 . 1 1 99 99 LYS N N 15 128.55 . . . . . . . 304 LYS N . 15274 1 stop_ save_