data_19905 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19905 _Entry.Title ; Phosphorylated 4E-BP2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-04-10 _Entry.Accession_date 2014-04-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Alaji Bah . . . 19905 2 Julie Forman-Kay . . . 19905 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'TB Structural Genomics Consortium' . 19905 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19905 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 299 19905 '1H chemical shifts' 216 19905 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 . . 2015-02-27 2014-04-10 update BMRB 'update entry citation' 19905 1 . . 2014-12-09 2014-04-10 original author 'original release' 19905 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19114 4E-BP2 19905 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19905 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25533957 _Citation.Full_citation . _Citation.Title 'Folding of an intrinsically disordered protein by phosphorylation as a regulatory switch' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 519 _Citation.Journal_issue . _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 106 _Citation.Page_last 109 _Citation.Year 2015 _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 Alaji Bah . . . 19905 1 2 Robert Vernon . . . 19905 1 3 Zeba Siddiqui . . . 19905 1 4 Mickael Krzeminski . . . 19905 1 5 Ranjith Muhandiram . . . 19905 1 6 Charlie Zhao . . . 19905 1 7 Nahum Sonenberg . . . 19905 1 8 Lewis Kay . . . 19905 1 9 Julie Forman-Kay . . . 19905 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID folding 19905 1 IDPs 19905 1 NMR 19905 1 'Post translational modification' 19905 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19905 _Assembly.ID 1 _Assembly.Name 'phosphorylated 4E-BP2 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'phosphorylated 4E-BP2 monomer' 1 $Phosphorylated_4E-BP2 A . yes native no no . . . 19905 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Phosphorylated_4E-BP2 _Entity.Sf_category entity _Entity.Sf_framecode Phosphorylated_4E-BP2 _Entity.Entry_ID 19905 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Phosphorylated_4E-BP2 _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 ; MSSSAGSGHQPSQSRAIPTR TVAISDAAQLPHDYCTTPGG TLFSTTPGGTRIIYDRKFLL DRRNSPMAQTPPCHLPNIPG VTSPGTLIEDSKVEVNNLNN LNNHDRKHAVGDDAQFEMDI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 BMRB 19114 . 4E-BP2 . . . . . 100.00 128 98.33 100.00 1.49e-80 . . . . 19905 1 2 no DBJ BAG11409 . "eukaryotic translation initiation factor 4E-binding protein 2 [synthetic construct]" . . . . . 100.00 120 100.00 100.00 3.96e-82 . . . . 19905 1 3 no DBJ BAG36466 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 120 99.17 99.17 4.00e-81 . . . . 19905 1 4 no EMBL CAG47036 . "EIF4EBP2 [Homo sapiens]" . . . . . 100.00 120 99.17 99.17 1.78e-81 . . . . 19905 1 5 no GB AAA62270 . "4E-binding protein 2 [Homo sapiens]" . . . . . 100.00 120 100.00 100.00 3.96e-82 . . . . 19905 1 6 no GB AAH05057 . "Eukaryotic translation initiation factor 4E binding protein 2 [Homo sapiens]" . . . . . 100.00 120 100.00 100.00 3.96e-82 . . . . 19905 1 7 no GB AAH50633 . "Eukaryotic translation initiation factor 4E binding protein 2 [Homo sapiens]" . . . . . 100.00 120 100.00 100.00 3.96e-82 . . . . 19905 1 8 no GB AAP35981 . "eukaryotic translation initiation factor 4E binding protein 2 [Homo sapiens]" . . . . . 100.00 120 100.00 100.00 3.96e-82 . . . . 19905 1 9 no GB AAX32712 . "eukaryotic translation initiation factor 4E binding protein 2 [synthetic construct]" . . . . . 100.00 120 100.00 100.00 3.96e-82 . . . . 19905 1 10 no PRF 2021415B . "initiation factor 4E-binding protein:ISOTYPE=2" . . . . . 100.00 120 100.00 100.00 3.96e-82 . . . . 19905 1 11 no REF NP_001178078 . "eukaryotic translation initiation factor 4E-binding protein 2 [Bos taurus]" . . . . . 100.00 120 99.17 99.17 3.75e-81 . . . . 19905 1 12 no REF NP_001244839 . "eukaryotic translation initiation factor 4E-binding protein 2 [Macaca mulatta]" . . . . . 100.00 120 100.00 100.00 3.96e-82 . . . . 19905 1 13 no REF NP_004087 . "eukaryotic translation initiation factor 4E-binding protein 2 [Homo sapiens]" . . . . . 100.00 120 100.00 100.00 3.96e-82 . . . . 19905 1 14 no REF XP_002718482 . "PREDICTED: eukaryotic translation initiation factor 4E-binding protein 2 [Oryctolagus cuniculus]" . . . . . 100.00 120 99.17 99.17 3.75e-81 . . . . 19905 1 15 no REF XP_002756317 . "PREDICTED: eukaryotic translation initiation factor 4E-binding protein 2 isoform X2 [Callithrix jacchus]" . . . . . 100.00 120 98.33 99.17 1.08e-80 . . . . 19905 1 16 no SP Q13542 . "RecName: Full=Eukaryotic translation initiation factor 4E-binding protein 2; Short=4E-BP2; Short=eIF4E-binding protein 2" . . . . . 100.00 120 100.00 100.00 3.96e-82 . . . . 19905 1 17 no TPG DAA14291 . "TPA: eukaryotic translation initiation factor 4E binding protein 2-like [Bos taurus]" . . . . . 100.00 120 99.17 99.17 3.75e-81 . . . . 19905 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Regulation of eukaryotic translation initiation' 19905 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 . 19905 1 2 . SER . 19905 1 3 . SER . 19905 1 4 . SER . 19905 1 5 . ALA . 19905 1 6 . GLY . 19905 1 7 . SER . 19905 1 8 . GLY . 19905 1 9 . HIS . 19905 1 10 . GLN . 19905 1 11 . PRO . 19905 1 12 . SER . 19905 1 13 . GLN . 19905 1 14 . SER . 19905 1 15 . ARG . 19905 1 16 . ALA . 19905 1 17 . ILE . 19905 1 18 . PRO . 19905 1 19 . THR . 19905 1 20 . ARG . 19905 1 21 . THR . 19905 1 22 . VAL . 19905 1 23 . ALA . 19905 1 24 . ILE . 19905 1 25 . SER . 19905 1 26 . ASP . 19905 1 27 . ALA . 19905 1 28 . ALA . 19905 1 29 . GLN . 19905 1 30 . LEU . 19905 1 31 . PRO . 19905 1 32 . HIS . 19905 1 33 . ASP . 19905 1 34 . TYR . 19905 1 35 . CYS . 19905 1 36 . THR . 19905 1 37 . THR . 19905 1 38 . PRO . 19905 1 39 . GLY . 19905 1 40 . GLY . 19905 1 41 . THR . 19905 1 42 . LEU . 19905 1 43 . PHE . 19905 1 44 . SER . 19905 1 45 . THR . 19905 1 46 . THR . 19905 1 47 . PRO . 19905 1 48 . GLY . 19905 1 49 . GLY . 19905 1 50 . THR . 19905 1 51 . ARG . 19905 1 52 . ILE . 19905 1 53 . ILE . 19905 1 54 . TYR . 19905 1 55 . ASP . 19905 1 56 . ARG . 19905 1 57 . LYS . 19905 1 58 . PHE . 19905 1 59 . LEU . 19905 1 60 . LEU . 19905 1 61 . ASP . 19905 1 62 . ARG . 19905 1 63 . ARG . 19905 1 64 . ASN . 19905 1 65 . SER . 19905 1 66 . PRO . 19905 1 67 . MET . 19905 1 68 . ALA . 19905 1 69 . GLN . 19905 1 70 . THR . 19905 1 71 . PRO . 19905 1 72 . PRO . 19905 1 73 . CYS . 19905 1 74 . HIS . 19905 1 75 . LEU . 19905 1 76 . PRO . 19905 1 77 . ASN . 19905 1 78 . ILE . 19905 1 79 . PRO . 19905 1 80 . GLY . 19905 1 81 . VAL . 19905 1 82 . THR . 19905 1 83 . SER . 19905 1 84 . PRO . 19905 1 85 . GLY . 19905 1 86 . THR . 19905 1 87 . LEU . 19905 1 88 . ILE . 19905 1 89 . GLU . 19905 1 90 . ASP . 19905 1 91 . SER . 19905 1 92 . LYS . 19905 1 93 . VAL . 19905 1 94 . GLU . 19905 1 95 . VAL . 19905 1 96 . ASN . 19905 1 97 . ASN . 19905 1 98 . LEU . 19905 1 99 . ASN . 19905 1 100 . ASN . 19905 1 101 . LEU . 19905 1 102 . ASN . 19905 1 103 . ASN . 19905 1 104 . HIS . 19905 1 105 . ASP . 19905 1 106 . ARG . 19905 1 107 . LYS . 19905 1 108 . HIS . 19905 1 109 . ALA . 19905 1 110 . VAL . 19905 1 111 . GLY . 19905 1 112 . ASP . 19905 1 113 . ASP . 19905 1 114 . ALA . 19905 1 115 . GLN . 19905 1 116 . PHE . 19905 1 117 . GLU . 19905 1 118 . MET . 19905 1 119 . ASP . 19905 1 120 . ILE . 19905 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 19905 1 . SER 2 2 19905 1 . SER 3 3 19905 1 . SER 4 4 19905 1 . ALA 5 5 19905 1 . GLY 6 6 19905 1 . SER 7 7 19905 1 . GLY 8 8 19905 1 . HIS 9 9 19905 1 . GLN 10 10 19905 1 . PRO 11 11 19905 1 . SER 12 12 19905 1 . GLN 13 13 19905 1 . SER 14 14 19905 1 . ARG 15 15 19905 1 . ALA 16 16 19905 1 . ILE 17 17 19905 1 . PRO 18 18 19905 1 . THR 19 19 19905 1 . ARG 20 20 19905 1 . THR 21 21 19905 1 . VAL 22 22 19905 1 . ALA 23 23 19905 1 . ILE 24 24 19905 1 . SER 25 25 19905 1 . ASP 26 26 19905 1 . ALA 27 27 19905 1 . ALA 28 28 19905 1 . GLN 29 29 19905 1 . LEU 30 30 19905 1 . PRO 31 31 19905 1 . HIS 32 32 19905 1 . ASP 33 33 19905 1 . TYR 34 34 19905 1 . CYS 35 35 19905 1 . THR 36 36 19905 1 . THR 37 37 19905 1 . PRO 38 38 19905 1 . GLY 39 39 19905 1 . GLY 40 40 19905 1 . THR 41 41 19905 1 . LEU 42 42 19905 1 . PHE 43 43 19905 1 . SER 44 44 19905 1 . THR 45 45 19905 1 . THR 46 46 19905 1 . PRO 47 47 19905 1 . GLY 48 48 19905 1 . GLY 49 49 19905 1 . THR 50 50 19905 1 . ARG 51 51 19905 1 . ILE 52 52 19905 1 . ILE 53 53 19905 1 . TYR 54 54 19905 1 . ASP 55 55 19905 1 . ARG 56 56 19905 1 . LYS 57 57 19905 1 . PHE 58 58 19905 1 . LEU 59 59 19905 1 . LEU 60 60 19905 1 . ASP 61 61 19905 1 . ARG 62 62 19905 1 . ARG 63 63 19905 1 . ASN 64 64 19905 1 . SER 65 65 19905 1 . PRO 66 66 19905 1 . MET 67 67 19905 1 . ALA 68 68 19905 1 . GLN 69 69 19905 1 . THR 70 70 19905 1 . PRO 71 71 19905 1 . PRO 72 72 19905 1 . CYS 73 73 19905 1 . HIS 74 74 19905 1 . LEU 75 75 19905 1 . PRO 76 76 19905 1 . ASN 77 77 19905 1 . ILE 78 78 19905 1 . PRO 79 79 19905 1 . GLY 80 80 19905 1 . VAL 81 81 19905 1 . THR 82 82 19905 1 . SER 83 83 19905 1 . PRO 84 84 19905 1 . GLY 85 85 19905 1 . THR 86 86 19905 1 . LEU 87 87 19905 1 . ILE 88 88 19905 1 . GLU 89 89 19905 1 . ASP 90 90 19905 1 . SER 91 91 19905 1 . LYS 92 92 19905 1 . VAL 93 93 19905 1 . GLU 94 94 19905 1 . VAL 95 95 19905 1 . ASN 96 96 19905 1 . ASN 97 97 19905 1 . LEU 98 98 19905 1 . ASN 99 99 19905 1 . ASN 100 100 19905 1 . LEU 101 101 19905 1 . ASN 102 102 19905 1 . ASN 103 103 19905 1 . HIS 104 104 19905 1 . ASP 105 105 19905 1 . ARG 106 106 19905 1 . LYS 107 107 19905 1 . HIS 108 108 19905 1 . ALA 109 109 19905 1 . VAL 110 110 19905 1 . GLY 111 111 19905 1 . ASP 112 112 19905 1 . ASP 113 113 19905 1 . ALA 114 114 19905 1 . GLN 115 115 19905 1 . PHE 116 116 19905 1 . GLU 117 117 19905 1 . MET 118 118 19905 1 . ASP 119 119 19905 1 . ILE 120 120 19905 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 19905 _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 $Phosphorylated_4E-BP2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19905 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 19905 _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 $Phosphorylated_4E-BP2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET SUMO' . . . . . . 19905 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19905 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Phosphorylated 4E-BP2' '[U-99% 13C; U-99% 15N]' . . 1 $Phosphorylated_4E-BP2 . . 1 . . mM . . . . 19905 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19905 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19905 1 4 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 19905 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19905 1 6 Benzamidine 'natural abundance' . . . . . . 1 . . mM . . . . 19905 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 19905 _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' 0.150 . M 19905 1 pH 6.0 . pH 19905 1 pressure 1 . atm 19905 1 temperature 293 . K 19905 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19905 _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' . . 19905 1 Goddard . . 19905 1 'Shen, Vernon, Baker and Bax' . . 19905 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19905 1 processing 19905 1 'structure solution' 19905 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 19905 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19905 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 19905 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19905 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 19905 _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 Varian INOVA . 500 . . . 19905 1 2 spectrometer_2 Varian INOVA . 600 . . . 19905 1 3 spectrometer_3 Varian INOVA . 800 . . . 19905 1 4 spectrometer_4 Varian INOVA . 500 . . . 19905 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 19905 _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 . . . . . . . . . . . . . . . . . . . . . 19905 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19905 1 3 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19905 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19905 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19905 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19905 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 19905 _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 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 19905 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 19905 _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 $DSS _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' . . . 19905 1 2 '3D HNCO' . . . 19905 1 3 '3D H(CCO)NH' . . . 19905 1 5 '3D CBCA(CO)NH' . . . 19905 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 19905 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 HA H 1 4.563 . . . . . . . 1 M HA . 19905 1 2 . 1 1 1 1 MET C C 13 176.219 . . . . . . . 1 M CO . 19905 1 3 . 1 1 2 2 SER H H 1 8.654 . . . . . . . 2 S HN . 19905 1 4 . 1 1 2 2 SER C C 13 174.852 . . . . . . . 2 S CO . 19905 1 5 . 1 1 2 2 SER CB C 13 63.752 . . . . . . . 2 S CB . 19905 1 6 . 1 1 3 3 SER H H 1 8.591 . . . . . . . 3 S HN . 19905 1 7 . 1 1 3 3 SER HA H 1 4.51 . . . . . . . 3 S HA . 19905 1 8 . 1 1 3 3 SER C C 13 174.77 . . . . . . . 3 S CO . 19905 1 9 . 1 1 3 3 SER CA C 13 58.474 . . . . . . . 3 S CA . 19905 1 10 . 1 1 3 3 SER CB C 13 63.82 . . . . . . . 3 S CB . 19905 1 11 . 1 1 4 4 SER H H 1 8.547 . . . . . . . 4 S HN . 19905 1 12 . 1 1 4 4 SER HA H 1 4.456 . . . . . . . 4 S HA . 19905 1 13 . 1 1 4 4 SER C C 13 174.489 . . . . . . . 4 S CO . 19905 1 14 . 1 1 4 4 SER CA C 13 58.38 . . . . . . . 4 S CA . 19905 1 15 . 1 1 4 4 SER CB C 13 63.62 . . . . . . . 4 S CB . 19905 1 16 . 1 1 5 5 ALA H H 1 8.466 . . . . . . . 5 A HN . 19905 1 17 . 1 1 5 5 ALA HA H 1 4.333 . . . . . . . 5 A HA . 19905 1 18 . 1 1 5 5 ALA C C 13 178.301 . . . . . . . 5 A CO . 19905 1 19 . 1 1 5 5 ALA CA C 13 52.93 . . . . . . . 5 A CA . 19905 1 20 . 1 1 5 5 ALA CB C 13 19.21 . . . . . . . 5 A CB . 19905 1 21 . 1 1 6 6 GLY H H 1 8.508 . . . . . . . 6 G HN . 19905 1 22 . 1 1 6 6 GLY HA2 H 1 3.993 . . . . . . . 6 G HA# . 19905 1 23 . 1 1 6 6 GLY HA3 H 1 3.993 . . . . . . . 6 G HA# . 19905 1 24 . 1 1 6 6 GLY C C 13 174.424 . . . . . . . 6 G CO . 19905 1 25 . 1 1 6 6 GLY CA C 13 45.345 . . . . . . . 6 G CA . 19905 1 26 . 1 1 7 7 SER H H 1 8.411 . . . . . . . 7 S HN . 19905 1 27 . 1 1 7 7 SER HA H 1 4.443 . . . . . . . 7 S HA . 19905 1 28 . 1 1 7 7 SER C C 13 175.181 . . . . . . . 7 S CO . 19905 1 29 . 1 1 7 7 SER CA C 13 58.548 . . . . . . . 7 S CA . 19905 1 30 . 1 1 7 7 SER CB C 13 63.866 . . . . . . . 7 S CB . 19905 1 31 . 1 1 8 8 GLY H H 1 8.642 . . . . . . . 8 G HN . 19905 1 32 . 1 1 8 8 GLY HA2 H 1 3.932 . . . . . . . 8 G HA# . 19905 1 33 . 1 1 8 8 GLY HA3 H 1 3.932 . . . . . . . 8 G HA# . 19905 1 34 . 1 1 8 8 GLY CA C 13 45.315 . . . . . . . 8 G CA . 19905 1 35 . 1 1 9 9 HIS H H 1 8.453 . . . . . . . 9 H HN . 19905 1 36 . 1 1 9 9 HIS HA H 1 4.684 . . . . . . . 9 H HA . 19905 1 37 . 1 1 9 9 HIS C C 13 174.485 . . . . . . . 9 H CO . 19905 1 38 . 1 1 9 9 HIS CA C 13 55.307 . . . . . . . 9 H CA . 19905 1 39 . 1 1 9 9 HIS CB C 13 29.609 . . . . . . . 9 H CB . 19905 1 40 . 1 1 10 10 GLN H H 1 8.643 . . . . . . . 10 Q HN . 19905 1 41 . 1 1 10 10 GLN CA C 13 53.729 . . . . . . . 10 Q CA . 19905 1 42 . 1 1 10 10 GLN CB C 13 28.898 . . . . . . . 10 Q CB . 19905 1 43 . 1 1 11 11 PRO HA H 1 4.448 . . . . . . . 11 P HA . 19905 1 44 . 1 1 11 11 PRO C C 13 177.012 . . . . . . . 11 P CO . 19905 1 45 . 1 1 12 12 SER H H 1 8.65 . . . . . . . 12 S HN . 19905 1 46 . 1 1 12 12 SER HA H 1 4.385 . . . . . . . 12 S HA . 19905 1 47 . 1 1 12 12 SER C C 13 174.807 . . . . . . . 12 S CO . 19905 1 48 . 1 1 12 12 SER CA C 13 58.56 . . . . . . . 12 S CA . 19905 1 49 . 1 1 12 12 SER CB C 13 63.77 . . . . . . . 12 S CB . 19905 1 50 . 1 1 13 13 GLN H H 1 8.576 . . . . . . . 13 Q HN . 19905 1 51 . 1 1 13 13 GLN HA H 1 4.383 . . . . . . . 13 Q HA . 19905 1 52 . 1 1 13 13 GLN C C 13 176.007 . . . . . . . 13 Q CO . 19905 1 53 . 1 1 13 13 GLN CA C 13 55.93 . . . . . . . 13 Q CA . 19905 1 54 . 1 1 13 13 GLN CB C 13 29.53 . . . . . . . 13 Q CB . 19905 1 55 . 1 1 14 14 SER H H 1 8.496 . . . . . . . 14 S HN . 19905 1 56 . 1 1 14 14 SER HA H 1 4.39 . . . . . . . 14 S HA . 19905 1 57 . 1 1 14 14 SER C C 13 174.679 . . . . . . . 14 S CO . 19905 1 58 . 1 1 14 14 SER CA C 13 58.43 . . . . . . . 14 S CA . 19905 1 59 . 1 1 14 14 SER CB C 13 63.69 . . . . . . . 14 S CB . 19905 1 60 . 1 1 15 15 ARG H H 1 8.478 . . . . . . . 15 R HN . 19905 1 61 . 1 1 15 15 ARG CA C 13 55.855 . . . . . . . 15 R CA . 19905 1 62 . 1 1 15 15 ARG CB C 13 30.944 . . . . . . . 15 R CB . 19905 1 63 . 1 1 16 16 ALA H H 1 8.466 . . . . . . . 16 A HN . 19905 1 64 . 1 1 16 16 ALA HA H 1 4.599 . . . . . . . 16 A HA . 19905 1 65 . 1 1 16 16 ALA CA C 13 52.151 . . . . . . . 16 A CA . 19905 1 66 . 1 1 16 16 ALA CB C 13 19.318 . . . . . . . 16 A CB . 19905 1 67 . 1 1 17 17 ILE H H 1 8.554 . . . . . . . 17 I HN . 19905 1 68 . 1 1 17 17 ILE CA C 13 59.373 . . . . . . . 17 I CA . 19905 1 69 . 1 1 17 17 ILE CB C 13 39.752 . . . . . . . 17 I CB . 19905 1 70 . 1 1 18 18 PRO HA H 1 4.469 . . . . . . . 18 P HA . 19905 1 71 . 1 1 18 18 PRO C C 13 176.056 . . . . . . . 18 P CO . 19905 1 72 . 1 1 19 19 THR H H 1 8.294 . . . . . . . 19 T HN . 19905 1 73 . 1 1 19 19 THR HA H 1 5.346 . . . . . . . 19 T HA . 19905 1 74 . 1 1 19 19 THR C C 13 174.103 . . . . . . . 19 T CO . 19905 1 75 . 1 1 19 19 THR CA C 13 60.712 . . . . . . . 19 T CA . 19905 1 76 . 1 1 19 19 THR CB C 13 72.58 . . . . . . . 19 T CB . 19905 1 77 . 1 1 20 20 ARG H H 1 8.929 . . . . . . . 20 R HN . 19905 1 78 . 1 1 20 20 ARG HA H 1 4.586 . . . . . . . 20 R HA . 19905 1 79 . 1 1 20 20 ARG C C 13 174.31 . . . . . . . 20 R CO . 19905 1 80 . 1 1 20 20 ARG CA C 13 55.35 . . . . . . . 20 R CA . 19905 1 81 . 1 1 20 20 ARG CB C 13 33.31 . . . . . . . 20 R CB . 19905 1 82 . 1 1 21 21 THR H H 1 8.663 . . . . . . . 21 T HN . 19905 1 83 . 1 1 21 21 THR HA H 1 5.062 . . . . . . . 21 T HA . 19905 1 84 . 1 1 21 21 THR C C 13 174.475 . . . . . . . 21 T CO . 19905 1 85 . 1 1 21 21 THR CA C 13 61.75 . . . . . . . 21 T CA . 19905 1 86 . 1 1 21 21 THR CB C 13 70.064 . . . . . . . 21 T CB . 19905 1 87 . 1 1 22 22 VAL H H 1 9.046 . . . . . . . 22 V HN . 19905 1 88 . 1 1 22 22 VAL HA H 1 4.254 . . . . . . . 22 V HA . 19905 1 89 . 1 1 22 22 VAL C C 13 174.249 . . . . . . . 22 V CO . 19905 1 90 . 1 1 22 22 VAL CA C 13 61.127 . . . . . . . 22 V CA . 19905 1 91 . 1 1 22 22 VAL CB C 13 34.689 . . . . . . . 22 V CB . 19905 1 92 . 1 1 23 23 ALA H H 1 8.81 . . . . . . . 23 A HN . 19905 1 93 . 1 1 23 23 ALA HA H 1 4.252 . . . . . . . 23 A HA . 19905 1 94 . 1 1 23 23 ALA C C 13 177.316 . . . . . . . 23 A CO . 19905 1 95 . 1 1 23 23 ALA CA C 13 51.567 . . . . . . . 23 A CA . 19905 1 96 . 1 1 23 23 ALA CB C 13 19.323 . . . . . . . 23 A CB . 19905 1 97 . 1 1 24 24 ILE H H 1 8.554 . . . . . . . 24 I HN . 19905 1 98 . 1 1 24 24 ILE HA H 1 4.604 . . . . . . . 24 I HA . 19905 1 99 . 1 1 24 24 ILE C C 13 175.362 . . . . . . . 24 I CO . 19905 1 100 . 1 1 24 24 ILE CA C 13 59.373 . . . . . . . 24 I CA . 19905 1 101 . 1 1 24 24 ILE CB C 13 39.752 . . . . . . . 24 I CB . 19905 1 102 . 1 1 25 25 SER H H 1 9.06 . . . . . . . 25 S HN . 19905 1 103 . 1 1 25 25 SER HA H 1 4.576 . . . . . . . 25 S HA . 19905 1 104 . 1 1 25 25 SER C C 13 173.636 . . . . . . . 25 S CO . 19905 1 105 . 1 1 25 25 SER CA C 13 58.47 . . . . . . . 25 S CA . 19905 1 106 . 1 1 25 25 SER CB C 13 64.42 . . . . . . . 25 S CB . 19905 1 107 . 1 1 26 26 ASP H H 1 7.8 . . . . . . . 26 D HN . 19905 1 108 . 1 1 26 26 ASP HA H 1 4.439 . . . . . . . 26 D HA . 19905 1 109 . 1 1 26 26 ASP C C 13 175.424 . . . . . . . 26 D CO . 19905 1 110 . 1 1 26 26 ASP CA C 13 53.63 . . . . . . . 26 D CA . 19905 1 111 . 1 1 26 26 ASP CB C 13 44.237 . . . . . . . 26 D CB . 19905 1 112 . 1 1 27 27 ALA H H 1 8.733 . . . . . . . 27 A HN . 19905 1 113 . 1 1 27 27 ALA HA H 1 3.685 . . . . . . . 27 A HA . 19905 1 114 . 1 1 27 27 ALA C C 13 178.614 . . . . . . . 27 A CO . 19905 1 115 . 1 1 27 27 ALA CA C 13 54.44 . . . . . . . 27 A CA . 19905 1 116 . 1 1 27 27 ALA CB C 13 18.286 . . . . . . . 27 A CB . 19905 1 117 . 1 1 28 28 ALA H H 1 8.857 . . . . . . . 28 A HN . 19905 1 118 . 1 1 28 28 ALA HA H 1 4.175 . . . . . . . 28 A HA . 19905 1 119 . 1 1 28 28 ALA C C 13 178.315 . . . . . . . 28 A CO . 19905 1 120 . 1 1 28 28 ALA CA C 13 53.61 . . . . . . . 28 A CA . 19905 1 121 . 1 1 28 28 ALA CB C 13 18.48 . . . . . . . 28 A CB . 19905 1 122 . 1 1 29 29 GLN H H 1 7.945 . . . . . . . 29 Q HN . 19905 1 123 . 1 1 29 29 GLN HA H 1 4.187 . . . . . . . 29 Q HA . 19905 1 124 . 1 1 29 29 GLN CA C 13 55.656 . . . . . . . 29 Q CA . 19905 1 125 . 1 1 29 29 GLN CB C 13 29.56 . . . . . . . 29 Q CB . 19905 1 126 . 1 1 30 30 LEU H H 1 7.538 . . . . . . . 30 L HN . 19905 1 127 . 1 1 30 30 LEU CA C 13 53.03 . . . . . . . 30 L CA . 19905 1 128 . 1 1 30 30 LEU CB C 13 41.366 . . . . . . . 30 L CB . 19905 1 129 . 1 1 31 31 PRO HA H 1 4.494 . . . . . . . 31 P HA . 19905 1 130 . 1 1 31 31 PRO C C 13 176.371 . . . . . . . 31 P CO . 19905 1 131 . 1 1 32 32 HIS H H 1 8.812 . . . . . . . 32 H HN . 19905 1 132 . 1 1 32 32 HIS HA H 1 4.393 . . . . . . . 32 H HA . 19905 1 133 . 1 1 32 32 HIS C C 13 174.87 . . . . . . . 32 H CO . 19905 1 134 . 1 1 32 32 HIS CA C 13 57.61 . . . . . . . 32 H CA . 19905 1 135 . 1 1 32 32 HIS CB C 13 28.83 . . . . . . . 32 H CB . 19905 1 136 . 1 1 33 33 ASP H H 1 8.31 . . . . . . . 33 D HN . 19905 1 137 . 1 1 33 33 ASP HA H 1 4.596 . . . . . . . 33 D HA . 19905 1 138 . 1 1 33 33 ASP C C 13 174.794 . . . . . . . 33 D CO . 19905 1 139 . 1 1 33 33 ASP CA C 13 53 . . . . . . . 33 D CA . 19905 1 140 . 1 1 33 33 ASP CB C 13 40.57 . . . . . . . 33 D CB . 19905 1 141 . 1 1 34 34 TYR H H 1 7.434 . . . . . . . 34 Y HN . 19905 1 142 . 1 1 34 34 TYR HA H 1 4.64 . . . . . . . 34 Y HA . 19905 1 143 . 1 1 34 34 TYR C C 13 173.857 . . . . . . . 34 Y CO . 19905 1 144 . 1 1 34 34 TYR CA C 13 57.23 . . . . . . . 34 Y CA . 19905 1 145 . 1 1 34 34 TYR CB C 13 38.21 . . . . . . . 34 Y CB . 19905 1 146 . 1 1 35 35 CYS H H 1 9.246 . . . . . . . 35 C HN . 19905 1 147 . 1 1 35 35 CYS HA H 1 4.534 . . . . . . . 35 C HA . 19905 1 148 . 1 1 35 35 CYS C C 13 172.585 . . . . . . . 35 C CO . 19905 1 149 . 1 1 35 35 CYS CA C 13 57.21 . . . . . . . 35 C CA . 19905 1 150 . 1 1 35 35 CYS CB C 13 30.93 . . . . . . . 35 C CB . 19905 1 151 . 1 1 36 36 THR H H 1 8.306 . . . . . . . 36 T HN . 19905 1 152 . 1 1 36 36 THR HA H 1 4.02 . . . . . . . 36 T HA . 19905 1 153 . 1 1 36 36 THR C C 13 176.021 . . . . . . . 36 T CO . 19905 1 154 . 1 1 36 36 THR CA C 13 60.03 . . . . . . . 36 T CA . 19905 1 155 . 1 1 36 36 THR CB C 13 71.57 . . . . . . . 36 T CB . 19905 1 156 . 1 1 37 37 THR H H 1 9.378 . . . . . . . 37 T HN . 19905 1 157 . 1 1 37 37 THR CA C 13 60.73 . . . . . . . 37 T CA . 19905 1 158 . 1 1 37 37 THR CB C 13 69.62 . . . . . . . 37 T CB . 19905 1 159 . 1 1 38 38 PRO HA H 1 4.255 . . . . . . . 38 P HA . 19905 1 160 . 1 1 38 38 PRO C C 13 178.436 . . . . . . . 38 P CO . 19905 1 161 . 1 1 39 39 GLY H H 1 10.998 . . . . . . . 39 G HN . 19905 1 162 . 1 1 39 39 GLY HA2 H 1 4.071 . . . . . . . 39 G HA# . 19905 1 163 . 1 1 39 39 GLY HA3 H 1 4.071 . . . . . . . 39 G HA# . 19905 1 164 . 1 1 39 39 GLY C C 13 175.831 . . . . . . . 39 G CO . 19905 1 165 . 1 1 39 39 GLY CA C 13 45.609 . . . . . . . 39 G CA . 19905 1 166 . 1 1 40 40 GLY H H 1 8.459 . . . . . . . 40 G HN . 19905 1 167 . 1 1 40 40 GLY HA2 H 1 4.391 . . . . . . . 40 G HA# . 19905 1 168 . 1 1 40 40 GLY HA3 H 1 4.391 . . . . . . . 40 G HA# . 19905 1 169 . 1 1 40 40 GLY C C 13 174.33 . . . . . . . 40 G CO . 19905 1 170 . 1 1 40 40 GLY CA C 13 44.717 . . . . . . . 40 G CA . 19905 1 171 . 1 1 41 41 THR H H 1 8.458 . . . . . . . 41 T HN . 19905 1 172 . 1 1 41 41 THR HA H 1 4.402 . . . . . . . 41 T HA . 19905 1 173 . 1 1 41 41 THR C C 13 173.239 . . . . . . . 41 T CO . 19905 1 174 . 1 1 41 41 THR CA C 13 65.84 . . . . . . . 41 T CA . 19905 1 175 . 1 1 41 41 THR CB C 13 67.355 . . . . . . . 41 T CB . 19905 1 176 . 1 1 42 42 LEU H H 1 9.012 . . . . . . . 42 L HN . 19905 1 177 . 1 1 42 42 LEU HA H 1 5.49 . . . . . . . 42 L HA . 19905 1 178 . 1 1 42 42 LEU C C 13 176.49 . . . . . . . 42 L CO . 19905 1 179 . 1 1 42 42 LEU CA C 13 54.195 . . . . . . . 42 L CA . 19905 1 180 . 1 1 42 42 LEU CB C 13 44.48 . . . . . . . 42 L CB . 19905 1 181 . 1 1 43 43 PHE H H 1 9.415 . . . . . . . 43 F HN . 19905 1 182 . 1 1 43 43 PHE HA H 1 6.233 . . . . . . . 43 F HA . 19905 1 183 . 1 1 43 43 PHE C C 13 173.34 . . . . . . . 43 F CO . 19905 1 184 . 1 1 43 43 PHE CA C 13 56.269 . . . . . . . 43 F CA . 19905 1 185 . 1 1 43 43 PHE CB C 13 43.4 . . . . . . . 43 F CB . 19905 1 186 . 1 1 44 44 SER H H 1 9.616 . . . . . . . 44 S HN . 19905 1 187 . 1 1 44 44 SER HA H 1 4.833 . . . . . . . 44 S HA . 19905 1 188 . 1 1 44 44 SER C C 13 172.769 . . . . . . . 44 S CO . 19905 1 189 . 1 1 44 44 SER CA C 13 57.454 . . . . . . . 44 S CA . 19905 1 190 . 1 1 44 44 SER CB C 13 65.664 . . . . . . . 44 S CB . 19905 1 191 . 1 1 45 45 THR H H 1 8.512 . . . . . . . 45 T HN . 19905 1 192 . 1 1 45 45 THR HA H 1 5.701 . . . . . . . 45 T HA . 19905 1 193 . 1 1 45 45 THR C C 13 175.586 . . . . . . . 45 T CO . 19905 1 194 . 1 1 45 45 THR CA C 13 60.74 . . . . . . . 45 T CA . 19905 1 195 . 1 1 45 45 THR CB C 13 71.15 . . . . . . . 45 T CB . 19905 1 196 . 1 1 46 46 THR H H 1 9.371 . . . . . . . 46 T HN . 19905 1 197 . 1 1 46 46 THR CA C 13 60.83 . . . . . . . 46 T CA . 19905 1 198 . 1 1 46 46 THR CB C 13 69.46 . . . . . . . 46 T CB . 19905 1 199 . 1 1 47 47 PRO HA H 1 4.275 . . . . . . . 47 P HA . 19905 1 200 . 1 1 47 47 PRO C C 13 178.395 . . . . . . . 47 P CO . 19905 1 201 . 1 1 48 48 GLY H H 1 11.085 . . . . . . . 48 G HN . 19905 1 202 . 1 1 48 48 GLY HA2 H 1 4.071 . . . . . . . 48 G HA# . 19905 1 203 . 1 1 48 48 GLY HA3 H 1 4.071 . . . . . . . 48 G HA# . 19905 1 204 . 1 1 48 48 GLY C C 13 175.828 . . . . . . . 48 G CO . 19905 1 205 . 1 1 48 48 GLY CA C 13 45.599 . . . . . . . 48 G CA . 19905 1 206 . 1 1 49 49 GLY H H 1 8.459 . . . . . . . 49 G HN . 19905 1 207 . 1 1 49 49 GLY HA2 H 1 4.391 . . . . . . . 49 G HA# . 19905 1 208 . 1 1 49 49 GLY HA3 H 1 4.391 . . . . . . . 49 G HA# . 19905 1 209 . 1 1 49 49 GLY C C 13 174.472 . . . . . . . 49 G CO . 19905 1 210 . 1 1 49 49 GLY CA C 13 44.713 . . . . . . . 49 G CA . 19905 1 211 . 1 1 50 50 THR H H 1 8.458 . . . . . . . 50 T HN . 19905 1 212 . 1 1 50 50 THR HA H 1 4.204 . . . . . . . 50 T HA . 19905 1 213 . 1 1 50 50 THR C C 13 173.166 . . . . . . . 50 T CO . 19905 1 214 . 1 1 50 50 THR CA C 13 65.84 . . . . . . . 50 T CA . 19905 1 215 . 1 1 50 50 THR CB C 13 67.355 . . . . . . . 50 T CB . 19905 1 216 . 1 1 51 51 ARG H H 1 8.695 . . . . . . . 51 R HN . 19905 1 217 . 1 1 51 51 ARG HA H 1 4.975 . . . . . . . 51 R HA . 19905 1 218 . 1 1 51 51 ARG C C 13 174.291 . . . . . . . 51 R CO . 19905 1 219 . 1 1 51 51 ARG CA C 13 55.74 . . . . . . . 51 R CA . 19905 1 220 . 1 1 51 51 ARG CB C 13 31.622 . . . . . . . 51 R CB . 19905 1 221 . 1 1 52 52 ILE H H 1 9.307 . . . . . . . 52 I HN . 19905 1 222 . 1 1 52 52 ILE HA H 1 4.544 . . . . . . . 52 I HA . 19905 1 223 . 1 1 52 52 ILE C C 13 175.057 . . . . . . . 52 I CO . 19905 1 224 . 1 1 52 52 ILE CA C 13 59.02 . . . . . . . 52 I CA . 19905 1 225 . 1 1 52 52 ILE CB C 13 38.32 . . . . . . . 52 I CB . 19905 1 226 . 1 1 53 53 ILE H H 1 8.752 . . . . . . . 53 I HN . 19905 1 227 . 1 1 53 53 ILE HA H 1 4.534 . . . . . . . 53 I HA . 19905 1 228 . 1 1 53 53 ILE C C 13 175.515 . . . . . . . 53 I CO . 19905 1 229 . 1 1 53 53 ILE CA C 13 59.23 . . . . . . . 53 I CA . 19905 1 230 . 1 1 53 53 ILE CB C 13 38.71 . . . . . . . 53 I CB . 19905 1 231 . 1 1 54 54 TYR H H 1 8.298 . . . . . . . 54 Y HN . 19905 1 232 . 1 1 54 54 TYR HA H 1 4.97 . . . . . . . 54 Y HA . 19905 1 233 . 1 1 54 54 TYR C C 13 175.012 . . . . . . . 54 Y CO . 19905 1 234 . 1 1 54 54 TYR CA C 13 57.242 . . . . . . . 54 Y CA . 19905 1 235 . 1 1 54 54 TYR CB C 13 38.756 . . . . . . . 54 Y CB . 19905 1 236 . 1 1 55 55 ASP H H 1 8.923 . . . . . . . 55 D HN . 19905 1 237 . 1 1 55 55 ASP HA H 1 4.704 . . . . . . . 55 D HA . 19905 1 238 . 1 1 55 55 ASP C C 13 176.334 . . . . . . . 55 D CO . 19905 1 239 . 1 1 55 55 ASP CA C 13 53.33 . . . . . . . 55 D CA . 19905 1 240 . 1 1 55 55 ASP CB C 13 41.94 . . . . . . . 55 D CB . 19905 1 241 . 1 1 56 56 ARG H H 1 8.594 . . . . . . . 56 R HN . 19905 1 242 . 1 1 56 56 ARG HA H 1 4.293 . . . . . . . 56 R HA . 19905 1 243 . 1 1 56 56 ARG C C 13 176.268 . . . . . . . 56 R CO . 19905 1 244 . 1 1 56 56 ARG CA C 13 56.32 . . . . . . . 56 R CA . 19905 1 245 . 1 1 56 56 ARG CB C 13 30.15 . . . . . . . 56 R CB . 19905 1 246 . 1 1 57 57 LYS H H 1 8.699 . . . . . . . 57 K HN . 19905 1 247 . 1 1 57 57 LYS HA H 1 4.163 . . . . . . . 57 K HA . 19905 1 248 . 1 1 57 57 LYS C C 13 176.719 . . . . . . . 57 K CO . 19905 1 249 . 1 1 57 57 LYS CA C 13 57.18 . . . . . . . 57 K CA . 19905 1 250 . 1 1 57 57 LYS CB C 13 32.03 . . . . . . . 57 K CB . 19905 1 251 . 1 1 58 58 PHE H H 1 7.836 . . . . . . . 58 F HN . 19905 1 252 . 1 1 58 58 PHE HA H 1 4.623 . . . . . . . 58 F HA . 19905 1 253 . 1 1 58 58 PHE C C 13 175.55 . . . . . . . 58 F CO . 19905 1 254 . 1 1 58 58 PHE CA C 13 57.11 . . . . . . . 58 F CA . 19905 1 255 . 1 1 58 58 PHE CB C 13 38.85 . . . . . . . 58 F CB . 19905 1 256 . 1 1 59 59 LEU H H 1 7.862 . . . . . . . 59 L HN . 19905 1 257 . 1 1 59 59 LEU HA H 1 4.255 . . . . . . . 59 L HA . 19905 1 258 . 1 1 59 59 LEU C C 13 177.273 . . . . . . . 59 L CO . 19905 1 259 . 1 1 59 59 LEU CA C 13 55.36 . . . . . . . 59 L CA . 19905 1 260 . 1 1 59 59 LEU CB C 13 42.25 . . . . . . . 59 L CB . 19905 1 261 . 1 1 60 60 LEU H H 1 8.154 . . . . . . . 60 L HN . 19905 1 262 . 1 1 60 60 LEU HA H 1 4.309 . . . . . . . 60 L HA . 19905 1 263 . 1 1 60 60 LEU C C 13 177.082 . . . . . . . 60 L CO . 19905 1 264 . 1 1 60 60 LEU CA C 13 55.33 . . . . . . . 60 L CA . 19905 1 265 . 1 1 60 60 LEU CB C 13 42.34 . . . . . . . 60 L CB . 19905 1 266 . 1 1 61 61 ASP H H 1 8.374 . . . . . . . 61 D HN . 19905 1 267 . 1 1 61 61 ASP HA H 1 4.681 . . . . . . . 61 D HA . 19905 1 268 . 1 1 61 61 ASP C C 13 176.093 . . . . . . . 61 D CO . 19905 1 269 . 1 1 61 61 ASP CA C 13 54.33 . . . . . . . 61 D CA . 19905 1 270 . 1 1 61 61 ASP CB C 13 41.14 . . . . . . . 61 D CB . 19905 1 271 . 1 1 62 62 ARG H H 1 8.301 . . . . . . . 62 R HN . 19905 1 272 . 1 1 62 62 ARG HA H 1 4.338 . . . . . . . 62 R HA . 19905 1 273 . 1 1 62 62 ARG C C 13 175.655 . . . . . . . 62 R CO . 19905 1 274 . 1 1 62 62 ARG CA C 13 55.818 . . . . . . . 62 R CA . 19905 1 275 . 1 1 62 62 ARG CB C 13 30.61 . . . . . . . 62 R CB . 19905 1 276 . 1 1 63 63 ARG H H 1 8.433 . . . . . . . 63 R HN . 19905 1 277 . 1 1 63 63 ARG HA H 1 4.291 . . . . . . . 63 R HA . 19905 1 278 . 1 1 63 63 ARG C C 13 176.179 . . . . . . . 63 R CO . 19905 1 279 . 1 1 63 63 ARG CA C 13 55.953 . . . . . . . 63 R CA . 19905 1 280 . 1 1 63 63 ARG CB C 13 30.971 . . . . . . . 63 R CB . 19905 1 281 . 1 1 64 64 ASN H H 1 8.699 . . . . . . . 64 N HN . 19905 1 282 . 1 1 64 64 ASN HA H 1 4.743 . . . . . . . 64 N HA . 19905 1 283 . 1 1 64 64 ASN C C 13 174.772 . . . . . . . 64 N CO . 19905 1 284 . 1 1 64 64 ASN CA C 13 53.18 . . . . . . . 64 N CA . 19905 1 285 . 1 1 64 64 ASN CB C 13 39.208 . . . . . . . 64 N CB . 19905 1 286 . 1 1 65 65 SER H H 1 8.167 . . . . . . . 65 S HN . 19905 1 287 . 1 1 65 65 SER CA C 13 54.491 . . . . . . . 65 S CA . 19905 1 288 . 1 1 65 65 SER CB C 13 66.221 . . . . . . . 65 S CB . 19905 1 289 . 1 1 66 66 PRO HA H 1 4.398 . . . . . . . 66 P HA . 19905 1 290 . 1 1 66 66 PRO C C 13 176.938 . . . . . . . 66 P CO . 19905 1 291 . 1 1 67 67 MET H H 1 8.618 . . . . . . . 67 M HN . 19905 1 292 . 1 1 67 67 MET HA H 1 4.456 . . . . . . . 67 M HA . 19905 1 293 . 1 1 67 67 MET C C 13 175.925 . . . . . . . 67 M CO . 19905 1 294 . 1 1 67 67 MET CA C 13 55.372 . . . . . . . 67 M CA . 19905 1 295 . 1 1 67 67 MET CB C 13 33.146 . . . . . . . 67 M CB . 19905 1 296 . 1 1 68 68 ALA H H 1 8.466 . . . . . . . 68 A HN . 19905 1 297 . 1 1 68 68 ALA C C 13 177.382 . . . . . . . 68 A CO . 19905 1 298 . 1 1 68 68 ALA CA C 13 52.738 . . . . . . . 68 A CA . 19905 1 299 . 1 1 68 68 ALA CB C 13 19.318 . . . . . . . 68 A CB . 19905 1 300 . 1 1 69 69 GLN H H 1 8.495 . . . . . . . 69 Q HN . 19905 1 301 . 1 1 69 69 GLN HA H 1 4.363 . . . . . . . 69 Q HA . 19905 1 302 . 1 1 69 69 GLN C C 13 175.697 . . . . . . . 69 Q CO . 19905 1 303 . 1 1 69 69 GLN CA C 13 55.52 . . . . . . . 69 Q CA . 19905 1 304 . 1 1 69 69 GLN CB C 13 30.08 . . . . . . . 69 Q CB . 19905 1 305 . 1 1 70 70 THR H H 1 8.948 . . . . . . . 70 T HN . 19905 1 306 . 1 1 70 70 THR CA C 13 60.1 . . . . . . . 70 T CA . 19905 1 307 . 1 1 70 70 THR CB C 13 73.2 . . . . . . . 70 T CB . 19905 1 308 . 1 1 72 72 PRO HA H 1 4.437 . . . . . . . 72 P HA . 19905 1 309 . 1 1 72 72 PRO C C 13 176.717 . . . . . . . 72 P CO . 19905 1 310 . 1 1 73 73 CYS H H 1 8.546 . . . . . . . 73 C HN . 19905 1 311 . 1 1 73 73 CYS HA H 1 4.433 . . . . . . . 73 C HA . 19905 1 312 . 1 1 73 73 CYS C C 13 174.252 . . . . . . . 73 C CO . 19905 1 313 . 1 1 73 73 CYS CA C 13 58.28 . . . . . . . 73 C CA . 19905 1 314 . 1 1 73 73 CYS CB C 13 28.06 . . . . . . . 73 C CB . 19905 1 315 . 1 1 74 74 HIS H H 1 8.707 . . . . . . . 74 H HN . 19905 1 316 . 1 1 74 74 HIS HA H 1 4.732 . . . . . . . 74 H HA . 19905 1 317 . 1 1 74 74 HIS C C 13 174.115 . . . . . . . 74 H CO . 19905 1 318 . 1 1 74 74 HIS CA C 13 55.08 . . . . . . . 74 H CA . 19905 1 319 . 1 1 74 74 HIS CB C 13 29.6 . . . . . . . 74 H CB . 19905 1 320 . 1 1 75 75 LEU H H 1 8.517 . . . . . . . 75 L HN . 19905 1 321 . 1 1 75 75 LEU CA C 13 53.1 . . . . . . . 75 L CA . 19905 1 322 . 1 1 75 75 LEU CB C 13 41.65 . . . . . . . 75 L CB . 19905 1 323 . 1 1 76 76 PRO HA H 1 4.411 . . . . . . . 76 P HA . 19905 1 324 . 1 1 76 76 PRO C C 13 176.34 . . . . . . . 76 P CO . 19905 1 325 . 1 1 77 77 ASN H H 1 8.635 . . . . . . . 77 N HN . 19905 1 326 . 1 1 77 77 ASN HA H 1 4.636 . . . . . . . 77 N HA . 19905 1 327 . 1 1 77 77 ASN CA C 13 53.233 . . . . . . . 77 N CA . 19905 1 328 . 1 1 77 77 ASN CB C 13 38.935 . . . . . . . 77 N CB . 19905 1 329 . 1 1 78 78 ILE H H 1 8.31 . . . . . . . 78 I HN . 19905 1 330 . 1 1 78 78 ILE CA C 13 58.575 . . . . . . . 78 I CA . 19905 1 331 . 1 1 78 78 ILE CB C 13 39.129 . . . . . . . 78 I CB . 19905 1 332 . 1 1 79 79 PRO HA H 1 4.381 . . . . . . . 79 P HA . 19905 1 333 . 1 1 79 79 PRO C C 13 177.447 . . . . . . . 79 P CO . 19905 1 334 . 1 1 80 80 GLY H H 1 8.678 . . . . . . . 80 G HN . 19905 1 335 . 1 1 80 80 GLY HA2 H 1 3.956 . . . . . . . 80 G HA# . 19905 1 336 . 1 1 80 80 GLY HA3 H 1 3.956 . . . . . . . 80 G HA# . 19905 1 337 . 1 1 80 80 GLY C C 13 174.04 . . . . . . . 80 G CO . 19905 1 338 . 1 1 80 80 GLY CA C 13 45.261 . . . . . . . 80 G CA . 19905 1 339 . 1 1 81 81 VAL H H 1 8.16 . . . . . . . 81 V HN . 19905 1 340 . 1 1 81 81 VAL HA H 1 4.221 . . . . . . . 81 V HA . 19905 1 341 . 1 1 81 81 VAL CA C 13 62.384 . . . . . . . 81 V CA . 19905 1 342 . 1 1 81 81 VAL CB C 13 33.077 . . . . . . . 81 V CB . 19905 1 343 . 1 1 82 82 THR H H 1 8.485 . . . . . . . 82 T HN . 19905 1 344 . 1 1 82 82 THR HA H 1 4.383 . . . . . . . 82 T HA . 19905 1 345 . 1 1 82 82 THR C C 13 174.193 . . . . . . . 82 T CO . 19905 1 346 . 1 1 82 82 THR CA C 13 61.79 . . . . . . . 82 T CA . 19905 1 347 . 1 1 82 82 THR CB C 13 69.88 . . . . . . . 82 T CB . 19905 1 348 . 1 1 83 83 SER H H 1 8.76 . . . . . . . 83 S HN . 19905 1 349 . 1 1 83 83 SER CA C 13 55.43 . . . . . . . 83 S CA . 19905 1 350 . 1 1 83 83 SER CB C 13 65.53 . . . . . . . 83 S CB . 19905 1 351 . 1 1 84 84 PRO HA H 1 4.396 . . . . . . . 84 P HA . 19905 1 352 . 1 1 84 84 PRO C C 13 177.679 . . . . . . . 84 P CO . 19905 1 353 . 1 1 85 85 GLY H H 1 8.634 . . . . . . . 85 G HN . 19905 1 354 . 1 1 85 85 GLY HA2 H 1 3.974 . . . . . . . 85 G HA# . 19905 1 355 . 1 1 85 85 GLY HA3 H 1 3.974 . . . . . . . 85 G HA# . 19905 1 356 . 1 1 85 85 GLY C C 13 174.498 . . . . . . . 85 G CO . 19905 1 357 . 1 1 85 85 GLY CA C 13 45.543 . . . . . . . 85 G CA . 19905 1 358 . 1 1 86 86 THR H H 1 8.118 . . . . . . . 86 T HN . 19905 1 359 . 1 1 86 86 THR HA H 1 4.259 . . . . . . . 86 T HA . 19905 1 360 . 1 1 86 86 THR C C 13 174.347 . . . . . . . 86 T CO . 19905 1 361 . 1 1 86 86 THR CA C 13 69.734 . . . . . . . 86 T CA . 19905 1 362 . 1 1 87 87 LEU H H 1 8.433 . . . . . . . 87 L HN . 19905 1 363 . 1 1 87 87 LEU HA H 1 4.636 . . . . . . . 87 L HA . 19905 1 364 . 1 1 87 87 LEU C C 13 177.093 . . . . . . . 87 L CO . 19905 1 365 . 1 1 87 87 LEU CA C 13 55.33 . . . . . . . 87 L CA . 19905 1 366 . 1 1 87 87 LEU CB C 13 42.28 . . . . . . . 87 L CB . 19905 1 367 . 1 1 88 88 ILE H H 1 8.342 . . . . . . . 88 I HN . 19905 1 368 . 1 1 88 88 ILE HA H 1 4.128 . . . . . . . 88 I HA . 19905 1 369 . 1 1 88 88 ILE C C 13 176.292 . . . . . . . 88 I CO . 19905 1 370 . 1 1 88 88 ILE CA C 13 61.05 . . . . . . . 88 I CA . 19905 1 371 . 1 1 88 88 ILE CB C 13 38.76 . . . . . . . 88 I CB . 19905 1 372 . 1 1 89 89 GLU H H 1 8.658 . . . . . . . 89 E HN . 19905 1 373 . 1 1 89 89 GLU HA H 1 4.277 . . . . . . . 89 E HA . 19905 1 374 . 1 1 89 89 GLU C C 13 175.674 . . . . . . . 89 E CO . 19905 1 375 . 1 1 89 89 GLU CA C 13 56.53 . . . . . . . 89 E CA . 19905 1 376 . 1 1 89 89 GLU CB C 13 30.398 . . . . . . . 89 E CB . 19905 1 377 . 1 1 90 90 ASP H H 1 8.576 . . . . . . . 90 D HN . 19905 1 378 . 1 1 90 90 ASP HA H 1 4.592 . . . . . . . 90 D HA . 19905 1 379 . 1 1 90 90 ASP C C 13 176.429 . . . . . . . 90 D CO . 19905 1 380 . 1 1 90 90 ASP CA C 13 54.44 . . . . . . . 90 D CA . 19905 1 381 . 1 1 90 90 ASP CB C 13 41.008 . . . . . . . 90 D CB . 19905 1 382 . 1 1 91 91 SER H H 1 8.434 . . . . . . . 91 S HN . 19905 1 383 . 1 1 91 91 SER HA H 1 4.397 . . . . . . . 91 S HA . 19905 1 384 . 1 1 91 91 SER C C 13 174.679 . . . . . . . 91 S CO . 19905 1 385 . 1 1 91 91 SER CA C 13 63.609 . . . . . . . 91 S CA . 19905 1 386 . 1 1 91 91 SER CB C 13 58.66 . . . . . . . 91 S CB . 19905 1 387 . 1 1 92 92 LYS H H 1 8.478 . . . . . . . 92 K HN . 19905 1 388 . 1 1 92 92 LYS HA H 1 4.34 . . . . . . . 92 K HA . 19905 1 389 . 1 1 92 92 LYS C C 13 176.522 . . . . . . . 92 K CO . 19905 1 390 . 1 1 92 92 LYS CA C 13 56.28 . . . . . . . 92 K CA . 19905 1 391 . 1 1 92 92 LYS CB C 13 32.8 . . . . . . . 92 K CB . 19905 1 392 . 1 1 93 93 VAL H H 1 8.164 . . . . . . . 93 V HN . 19905 1 393 . 1 1 93 93 VAL HA H 1 4.062 . . . . . . . 93 V HA . 19905 1 394 . 1 1 93 93 VAL C C 13 176.107 . . . . . . . 93 V CO . 19905 1 395 . 1 1 93 93 VAL CA C 13 62.45 . . . . . . . 93 V CA . 19905 1 396 . 1 1 93 93 VAL CB C 13 32.82 . . . . . . . 93 V CB . 19905 1 397 . 1 1 94 94 GLU H H 1 8.632 . . . . . . . 94 E HN . 19905 1 398 . 1 1 94 94 GLU HA H 1 4.333 . . . . . . . 94 E HA . 19905 1 399 . 1 1 94 94 GLU C C 13 176.519 . . . . . . . 94 E CO . 19905 1 400 . 1 1 94 94 GLU CA C 13 56.426 . . . . . . . 94 E CA . 19905 1 401 . 1 1 94 94 GLU CB C 13 30.55 . . . . . . . 94 E CB . 19905 1 402 . 1 1 95 95 VAL H H 1 8.388 . . . . . . . 95 V HN . 19905 1 403 . 1 1 95 95 VAL HA H 1 4.067 . . . . . . . 95 V HA . 19905 1 404 . 1 1 95 95 VAL C C 13 175.95 . . . . . . . 95 V CO . 19905 1 405 . 1 1 95 95 VAL CA C 13 62.58 . . . . . . . 95 V CA . 19905 1 406 . 1 1 95 95 VAL CB C 13 32.74 . . . . . . . 95 V CB . 19905 1 407 . 1 1 96 96 ASN H H 1 8.668 . . . . . . . 96 N HN . 19905 1 408 . 1 1 96 96 ASN HA H 1 4.711 . . . . . . . 96 N HA . 19905 1 409 . 1 1 96 96 ASN C C 13 174.985 . . . . . . . 96 N CO . 19905 1 410 . 1 1 96 96 ASN CA C 13 53.293 . . . . . . . 96 N CA . 19905 1 411 . 1 1 96 96 ASN CB C 13 38.961 . . . . . . . 96 N CB . 19905 1 412 . 1 1 97 97 ASN H H 1 8.564 . . . . . . . 97 N HN . 19905 1 413 . 1 1 97 97 ASN HA H 1 4.681 . . . . . . . 97 N HA . 19905 1 414 . 1 1 97 97 ASN C C 13 175.466 . . . . . . . 97 N CO . 19905 1 415 . 1 1 97 97 ASN CA C 13 53.46 . . . . . . . 97 N CA . 19905 1 416 . 1 1 97 97 ASN CB C 13 38.824 . . . . . . . 97 N CB . 19905 1 417 . 1 1 98 98 LEU H H 1 8.279 . . . . . . . 98 L HN . 19905 1 418 . 1 1 98 98 LEU HA H 1 4.261 . . . . . . . 98 L HA . 19905 1 419 . 1 1 98 98 LEU C C 13 177.495 . . . . . . . 98 L CO . 19905 1 420 . 1 1 98 98 LEU CA C 13 55.73 . . . . . . . 98 L CA . 19905 1 421 . 1 1 98 98 LEU CB C 13 42.14 . . . . . . . 98 L CB . 19905 1 422 . 1 1 99 99 ASN H H 1 8.485 . . . . . . . 99 N HN . 19905 1 423 . 1 1 99 99 ASN HA H 1 4.648 . . . . . . . 99 N HA . 19905 1 424 . 1 1 99 99 ASN C C 13 175.137 . . . . . . . 99 N CO . 19905 1 425 . 1 1 99 99 ASN CA C 13 53.25 . . . . . . . 99 N CA . 19905 1 426 . 1 1 99 99 ASN CB C 13 38.849 . . . . . . . 99 N CB . 19905 1 427 . 1 1 100 100 ASN H H 1 8.342 . . . . . . . 100 N HN . 19905 1 428 . 1 1 100 100 ASN HA H 1 4.699 . . . . . . . 100 N HA . 19905 1 429 . 1 1 100 100 ASN C C 13 175.526 . . . . . . . 100 N CO . 19905 1 430 . 1 1 100 100 ASN CA C 13 53.413 . . . . . . . 100 N CA . 19905 1 431 . 1 1 100 100 ASN CB C 13 38.827 . . . . . . . 100 N CB . 19905 1 432 . 1 1 101 101 LEU H H 1 8.412 . . . . . . . 101 L HN . 19905 1 433 . 1 1 101 101 LEU HA H 1 4.372 . . . . . . . 101 L HA . 19905 1 434 . 1 1 101 101 LEU CA C 13 53.432 . . . . . . . 101 L CA . 19905 1 435 . 1 1 101 101 LEU CB C 13 41.97 . . . . . . . 101 L CB . 19905 1 436 . 1 1 102 102 ASN H H 1 8.342 . . . . . . . 102 N HN . 19905 1 437 . 1 1 102 102 ASN CA C 13 58.322 . . . . . . . 102 N CA . 19905 1 438 . 1 1 102 102 ASN CB C 13 38.765 . . . . . . . 102 N CB . 19905 1 439 . 1 1 105 105 ASP HA H 1 4.699 . . . . . . . 105 D HA . 19905 1 440 . 1 1 105 105 ASP C C 13 175.563 . . . . . . . 105 D CO . 19905 1 441 . 1 1 105 105 ASP CA C 13 54.516 . . . . . . . 105 D CA . 19905 1 442 . 1 1 105 105 ASP CB C 13 41.084 . . . . . . . 105 D CB . 19905 1 443 . 1 1 106 106 ARG H H 1 8.412 . . . . . . . 106 R HN . 19905 1 444 . 1 1 106 106 ARG HA H 1 4.279 . . . . . . . 106 R HA . 19905 1 445 . 1 1 106 106 ARG C C 13 176.338 . . . . . . . 106 R CO . 19905 1 446 . 1 1 106 106 ARG CA C 13 56.35 . . . . . . . 106 R CA . 19905 1 447 . 1 1 106 106 ARG CB C 13 30.32 . . . . . . . 106 R CB . 19905 1 448 . 1 1 107 107 LYS H H 1 8.496 . . . . . . . 107 K HN . 19905 1 449 . 1 1 107 107 LYS HA H 1 4.222 . . . . . . . 107 K HA . 19905 1 450 . 1 1 107 107 LYS C C 13 176.454 . . . . . . . 107 K CO . 19905 1 451 . 1 1 107 107 LYS CA C 13 56.39 . . . . . . . 107 K CA . 19905 1 452 . 1 1 107 107 LYS CB C 13 32.89 . . . . . . . 107 K CB . 19905 1 453 . 1 1 108 108 HIS H H 1 8.564 . . . . . . . 108 H HN . 19905 1 454 . 1 1 108 108 HIS HA H 1 4.66 . . . . . . . 108 H HA . 19905 1 455 . 1 1 108 108 HIS C C 13 174.026 . . . . . . . 108 H CO . 19905 1 456 . 1 1 108 108 HIS CA C 13 55.293 . . . . . . . 108 H CA . 19905 1 457 . 1 1 108 108 HIS CB C 13 29.55 . . . . . . . 108 H CB . 19905 1 458 . 1 1 109 109 ALA H H 1 8.578 . . . . . . . 109 A HN . 19905 1 459 . 1 1 109 109 ALA HA H 1 4.363 . . . . . . . 109 A HA . 19905 1 460 . 1 1 109 109 ALA C C 13 177.529 . . . . . . . 109 A CO . 19905 1 461 . 1 1 109 109 ALA CA C 13 52.26 . . . . . . . 109 A CA . 19905 1 462 . 1 1 109 109 ALA CB C 13 19.63 . . . . . . . 109 A CB . 19905 1 463 . 1 1 110 110 VAL H H 1 8.404 . . . . . . . 110 V HN . 19905 1 464 . 1 1 110 110 VAL HA H 1 4.09 . . . . . . . 110 V HA . 19905 1 465 . 1 1 110 110 VAL C C 13 176.791 . . . . . . . 110 V CO . 19905 1 466 . 1 1 110 110 VAL CA C 13 62.64 . . . . . . . 110 V CA . 19905 1 467 . 1 1 110 110 VAL CB C 13 32.79 . . . . . . . 110 V CB . 19905 1 468 . 1 1 111 111 GLY H H 1 8.668 . . . . . . . 111 G HN . 19905 1 469 . 1 1 111 111 GLY HA2 H 1 4.02 . . . . . . . 111 G HA# . 19905 1 470 . 1 1 111 111 GLY HA3 H 1 4.02 . . . . . . . 111 G HA# . 19905 1 471 . 1 1 111 111 GLY C C 13 174.16 . . . . . . . 111 G CO . 19905 1 472 . 1 1 111 111 GLY CA C 13 45.23 . . . . . . . 111 G CA . 19905 1 473 . 1 1 112 112 ASP H H 1 8.374 . . . . . . . 112 D HN . 19905 1 474 . 1 1 112 112 ASP HA H 1 4.599 . . . . . . . 112 D HA . 19905 1 475 . 1 1 112 112 ASP C C 13 176.222 . . . . . . . 112 D CO . 19905 1 476 . 1 1 112 112 ASP CA C 13 54.553 . . . . . . . 112 D CA . 19905 1 477 . 1 1 112 112 ASP CB C 13 41.153 . . . . . . . 112 D CB . 19905 1 478 . 1 1 113 113 ASP H H 1 8.495 . . . . . . . 113 D HN . 19905 1 479 . 1 1 113 113 ASP HA H 1 4.544 . . . . . . . 113 D HA . 19905 1 480 . 1 1 113 113 ASP C C 13 176.23 . . . . . . . 113 D CO . 19905 1 481 . 1 1 113 113 ASP CA C 13 54.561 . . . . . . . 113 D CA . 19905 1 482 . 1 1 113 113 ASP CB C 13 41.03 . . . . . . . 113 D CB . 19905 1 483 . 1 1 114 114 ALA H H 1 8.276 . . . . . . . 114 A HN . 19905 1 484 . 1 1 114 114 ALA HA H 1 4.217 . . . . . . . 114 A HA . 19905 1 485 . 1 1 114 114 ALA C C 13 177.732 . . . . . . . 114 A CO . 19905 1 486 . 1 1 114 114 ALA CA C 13 52.87 . . . . . . . 114 A CA . 19905 1 487 . 1 1 114 114 ALA CB C 13 19.15 . . . . . . . 114 A CB . 19905 1 488 . 1 1 115 115 GLN H H 1 8.342 . . . . . . . 115 Q HN . 19905 1 489 . 1 1 115 115 GLN HA H 1 4.217 . . . . . . . 115 Q HA . 19905 1 490 . 1 1 115 115 GLN C C 13 175.698 . . . . . . . 115 Q CO . 19905 1 491 . 1 1 115 115 GLN CA C 13 55.94 . . . . . . . 115 Q CA . 19905 1 492 . 1 1 115 115 GLN CB C 13 29.377 . . . . . . . 115 Q CB . 19905 1 493 . 1 1 116 116 PHE H H 1 8.243 . . . . . . . 116 F HN . 19905 1 494 . 1 1 116 116 PHE HA H 1 4.634 . . . . . . . 116 F HA . 19905 1 495 . 1 1 116 116 PHE C C 13 175.562 . . . . . . . 116 F CO . 19905 1 496 . 1 1 116 116 PHE CA C 13 57.61 . . . . . . . 116 F CA . 19905 1 497 . 1 1 116 116 PHE CB C 13 39.695 . . . . . . . 116 F CB . 19905 1 498 . 1 1 117 117 GLU H H 1 8.412 . . . . . . . 117 E HN . 19905 1 499 . 1 1 117 117 GLU HA H 1 4.255 . . . . . . . 117 E HA . 19905 1 500 . 1 1 117 117 GLU C C 13 175.906 . . . . . . . 117 E CO . 19905 1 501 . 1 1 117 117 GLU CA C 13 56.354 . . . . . . . 117 E CA . 19905 1 502 . 1 1 117 117 GLU CB C 13 30.315 . . . . . . . 117 E CB . 19905 1 503 . 1 1 118 118 MET H H 1 8.423 . . . . . . . 118 M HN . 19905 1 504 . 1 1 118 118 MET HA H 1 4.464 . . . . . . . 118 M HA . 19905 1 505 . 1 1 118 118 MET C C 13 175.678 . . . . . . . 118 M CO . 19905 1 506 . 1 1 118 118 MET CA C 13 55.35 . . . . . . . 118 M CA . 19905 1 507 . 1 1 118 118 MET CB C 13 33.43 . . . . . . . 118 M CB . 19905 1 508 . 1 1 119 119 ASP H H 1 8.576 . . . . . . . 119 D HN . 19905 1 509 . 1 1 119 119 ASP HA H 1 4.655 . . . . . . . 119 D HA . 19905 1 510 . 1 1 119 119 ASP C C 13 174.961 . . . . . . . 119 D CO . 19905 1 511 . 1 1 119 119 ASP CA C 13 54.44 . . . . . . . 119 D CA . 19905 1 512 . 1 1 119 119 ASP CB C 13 41.01 . . . . . . . 119 D CB . 19905 1 513 . 1 1 120 120 ILE H H 1 7.758 . . . . . . . 120 I HN . 19905 1 514 . 1 1 120 120 ILE CA C 13 62.75 . . . . . . . 120 I CA . 19905 1 515 . 1 1 120 120 ILE CB C 13 39.837 . . . . . . . 120 I CB . 19905 1 stop_ save_