data_25509 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25509 _Entry.Title ; 1H, 13C, 15N chemical shift assignments for APOBEC3G NTD variant, sNTD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-28 _Entry.Accession_date 2015-02-28 _Entry.Last_release_date 2015-05-05 _Entry.Original_release_date 2015-05-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _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 Takahide Kouno . . . 25509 2 Elizabeth Luengas . M. . 25509 3 Megumi Shigematu . . . 25509 4 Shivender Shandilya . M.D. . 25509 5 JingYing Zhang . . . 25509 6 Luan Chen . . . 25509 7 Mayuko Hara . . . 25509 8 Celia Schiffer . A. . 25509 9 Reuben Harris . S. . 25509 10 Hiroshi Matsuo . . . 25509 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25509 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Vif-binding domain' . 25509 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25509 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 25509 '15N chemical shifts' 147 25509 '1H chemical shifts' 289 25509 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-05-05 . original BMRB . 25509 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MZZ 'BMRB Entry Tracking System' 25509 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25509 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure of the Vif-binding domain of the antiviral enzyme APOBEC3G ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _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 Takahide Kono . . . 25509 1 2 Elizabeth Luengas . M. . 25509 1 3 Megumi Shigematu . . . 25509 1 4 Shivender Shandilya . . . 25509 1 5 JingYing Zhang . . . 25509 1 6 Luan Chen . . . 25509 1 7 Mayuko Hara . . . 25509 1 8 Celia Schiffer . A. . 25509 1 9 Reuben Harris . S. . 25509 1 10 Hiroshi Matsuo . . . 25509 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25509 _Assembly.ID 1 _Assembly.Name 'APOBEC3G NTD variant, sNTD' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity 1 $entity A . yes native no no . . . 25509 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 25509 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25509 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name sNTD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDPDTFSYNFNNRPILSRRN TVWLCYEVKTKGPSRPPLDA KIFRGQVYSEDKYHPEMRFL SLVSKWKLHRDQEYEVTWYI SWSPCTKCARDMATFLQENT HVTLTIFVARLYYAWDPDYQ EALRSLAQAGATIKIMNYDE FQHCWSKFVYSQGAPFQPWD GLDEHSQALSGRLGEILRHS ; _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers 180 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21316.219 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MZZ . "Nmr Structure Of Apobec3g Ntd Variant, Sntd" . . . . . 100.00 180 100.00 100.00 1.12e-132 . . . . 25509 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 . 25509 1 2 . ASP . 25509 1 3 . PRO . 25509 1 4 . ASP . 25509 1 5 . THR . 25509 1 6 . PHE . 25509 1 7 . SER . 25509 1 8 . TYR . 25509 1 9 . ASN . 25509 1 10 . PHE . 25509 1 11 . ASN . 25509 1 12 . ASN . 25509 1 13 . ARG . 25509 1 14 . PRO . 25509 1 15 . ILE . 25509 1 16 . LEU . 25509 1 17 . SER . 25509 1 18 . ARG . 25509 1 19 . ARG . 25509 1 20 . ASN . 25509 1 21 . THR . 25509 1 22 . VAL . 25509 1 23 . TRP . 25509 1 24 . LEU . 25509 1 25 . CYS . 25509 1 26 . TYR . 25509 1 27 . GLU . 25509 1 28 . VAL . 25509 1 29 . LYS . 25509 1 30 . THR . 25509 1 31 . LYS . 25509 1 32 . GLY . 25509 1 33 . PRO . 25509 1 34 . SER . 25509 1 35 . ARG . 25509 1 36 . PRO . 25509 1 37 . PRO . 25509 1 38 . LEU . 25509 1 39 . ASP . 25509 1 40 . ALA . 25509 1 41 . LYS . 25509 1 42 . ILE . 25509 1 43 . PHE . 25509 1 44 . ARG . 25509 1 45 . GLY . 25509 1 46 . GLN . 25509 1 47 . VAL . 25509 1 48 . TYR . 25509 1 49 . SER . 25509 1 50 . GLU . 25509 1 51 . ASP . 25509 1 52 . LYS . 25509 1 53 . TYR . 25509 1 54 . HIS . 25509 1 55 . PRO . 25509 1 56 . GLU . 25509 1 57 . MET . 25509 1 58 . ARG . 25509 1 59 . PHE . 25509 1 60 . LEU . 25509 1 61 . SER . 25509 1 62 . LEU . 25509 1 63 . VAL . 25509 1 64 . SER . 25509 1 65 . LYS . 25509 1 66 . TRP . 25509 1 67 . LYS . 25509 1 68 . LEU . 25509 1 69 . HIS . 25509 1 70 . ARG . 25509 1 71 . ASP . 25509 1 72 . GLN . 25509 1 73 . GLU . 25509 1 74 . TYR . 25509 1 75 . GLU . 25509 1 76 . VAL . 25509 1 77 . THR . 25509 1 78 . TRP . 25509 1 79 . TYR . 25509 1 80 . ILE . 25509 1 81 . SER . 25509 1 82 . TRP . 25509 1 83 . SER . 25509 1 84 . PRO . 25509 1 85 . CYS . 25509 1 86 . THR . 25509 1 87 . LYS . 25509 1 88 . CYS . 25509 1 89 . ALA . 25509 1 90 . ARG . 25509 1 91 . ASP . 25509 1 92 . MET . 25509 1 93 . ALA . 25509 1 94 . THR . 25509 1 95 . PHE . 25509 1 96 . LEU . 25509 1 97 . GLN . 25509 1 98 . GLU . 25509 1 99 . ASN . 25509 1 100 . THR . 25509 1 101 . HIS . 25509 1 102 . VAL . 25509 1 103 . THR . 25509 1 104 . LEU . 25509 1 105 . THR . 25509 1 106 . ILE . 25509 1 107 . PHE . 25509 1 108 . VAL . 25509 1 109 . ALA . 25509 1 110 . ARG . 25509 1 111 . LEU . 25509 1 112 . TYR . 25509 1 113 . TYR . 25509 1 114 . ALA . 25509 1 115 . TRP . 25509 1 116 . ASP . 25509 1 117 . PRO . 25509 1 118 . ASP . 25509 1 119 . TYR . 25509 1 120 . GLN . 25509 1 121 . GLU . 25509 1 122 . ALA . 25509 1 123 . LEU . 25509 1 124 . ARG . 25509 1 125 . SER . 25509 1 126 . LEU . 25509 1 127 . ALA . 25509 1 128 . GLN . 25509 1 129 . ALA . 25509 1 130 . GLY . 25509 1 131 . ALA . 25509 1 132 . THR . 25509 1 133 . ILE . 25509 1 134 . LYS . 25509 1 135 . ILE . 25509 1 136 . MET . 25509 1 137 . ASN . 25509 1 138 . TYR . 25509 1 139 . ASP . 25509 1 140 . GLU . 25509 1 141 . PHE . 25509 1 142 . GLN . 25509 1 143 . HIS . 25509 1 144 . CYS . 25509 1 145 . TRP . 25509 1 146 . SER . 25509 1 147 . LYS . 25509 1 148 . PHE . 25509 1 149 . VAL . 25509 1 150 . TYR . 25509 1 151 . SER . 25509 1 152 . GLN . 25509 1 153 . GLY . 25509 1 154 . ALA . 25509 1 155 . PRO . 25509 1 156 . PHE . 25509 1 157 . GLN . 25509 1 158 . PRO . 25509 1 159 . TRP . 25509 1 160 . ASP . 25509 1 161 . GLY . 25509 1 162 . LEU . 25509 1 163 . ASP . 25509 1 164 . GLU . 25509 1 165 . HIS . 25509 1 166 . SER . 25509 1 167 . GLN . 25509 1 168 . ALA . 25509 1 169 . LEU . 25509 1 170 . SER . 25509 1 171 . GLY . 25509 1 172 . ARG . 25509 1 173 . LEU . 25509 1 174 . GLY . 25509 1 175 . GLU . 25509 1 176 . ILE . 25509 1 177 . LEU . 25509 1 178 . ARG . 25509 1 179 . HIS . 25509 1 180 . SER . 25509 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 25509 1 . ASP 2 2 25509 1 . PRO 3 3 25509 1 . ASP 4 4 25509 1 . THR 5 5 25509 1 . PHE 6 6 25509 1 . SER 7 7 25509 1 . TYR 8 8 25509 1 . ASN 9 9 25509 1 . PHE 10 10 25509 1 . ASN 11 11 25509 1 . ASN 12 12 25509 1 . ARG 13 13 25509 1 . PRO 14 14 25509 1 . ILE 15 15 25509 1 . LEU 16 16 25509 1 . SER 17 17 25509 1 . ARG 18 18 25509 1 . ARG 19 19 25509 1 . ASN 20 20 25509 1 . THR 21 21 25509 1 . VAL 22 22 25509 1 . TRP 23 23 25509 1 . LEU 24 24 25509 1 . CYS 25 25 25509 1 . TYR 26 26 25509 1 . GLU 27 27 25509 1 . VAL 28 28 25509 1 . LYS 29 29 25509 1 . THR 30 30 25509 1 . LYS 31 31 25509 1 . GLY 32 32 25509 1 . PRO 33 33 25509 1 . SER 34 34 25509 1 . ARG 35 35 25509 1 . PRO 36 36 25509 1 . PRO 37 37 25509 1 . LEU 38 38 25509 1 . ASP 39 39 25509 1 . ALA 40 40 25509 1 . LYS 41 41 25509 1 . ILE 42 42 25509 1 . PHE 43 43 25509 1 . ARG 44 44 25509 1 . GLY 45 45 25509 1 . GLN 46 46 25509 1 . VAL 47 47 25509 1 . TYR 48 48 25509 1 . SER 49 49 25509 1 . GLU 50 50 25509 1 . ASP 51 51 25509 1 . LYS 52 52 25509 1 . TYR 53 53 25509 1 . HIS 54 54 25509 1 . PRO 55 55 25509 1 . GLU 56 56 25509 1 . MET 57 57 25509 1 . ARG 58 58 25509 1 . PHE 59 59 25509 1 . LEU 60 60 25509 1 . SER 61 61 25509 1 . LEU 62 62 25509 1 . VAL 63 63 25509 1 . SER 64 64 25509 1 . LYS 65 65 25509 1 . TRP 66 66 25509 1 . LYS 67 67 25509 1 . LEU 68 68 25509 1 . HIS 69 69 25509 1 . ARG 70 70 25509 1 . ASP 71 71 25509 1 . GLN 72 72 25509 1 . GLU 73 73 25509 1 . TYR 74 74 25509 1 . GLU 75 75 25509 1 . VAL 76 76 25509 1 . THR 77 77 25509 1 . TRP 78 78 25509 1 . TYR 79 79 25509 1 . ILE 80 80 25509 1 . SER 81 81 25509 1 . TRP 82 82 25509 1 . SER 83 83 25509 1 . PRO 84 84 25509 1 . CYS 85 85 25509 1 . THR 86 86 25509 1 . LYS 87 87 25509 1 . CYS 88 88 25509 1 . ALA 89 89 25509 1 . ARG 90 90 25509 1 . ASP 91 91 25509 1 . MET 92 92 25509 1 . ALA 93 93 25509 1 . THR 94 94 25509 1 . PHE 95 95 25509 1 . LEU 96 96 25509 1 . GLN 97 97 25509 1 . GLU 98 98 25509 1 . ASN 99 99 25509 1 . THR 100 100 25509 1 . HIS 101 101 25509 1 . VAL 102 102 25509 1 . THR 103 103 25509 1 . LEU 104 104 25509 1 . THR 105 105 25509 1 . ILE 106 106 25509 1 . PHE 107 107 25509 1 . VAL 108 108 25509 1 . ALA 109 109 25509 1 . ARG 110 110 25509 1 . LEU 111 111 25509 1 . TYR 112 112 25509 1 . TYR 113 113 25509 1 . ALA 114 114 25509 1 . TRP 115 115 25509 1 . ASP 116 116 25509 1 . PRO 117 117 25509 1 . ASP 118 118 25509 1 . TYR 119 119 25509 1 . GLN 120 120 25509 1 . GLU 121 121 25509 1 . ALA 122 122 25509 1 . LEU 123 123 25509 1 . ARG 124 124 25509 1 . SER 125 125 25509 1 . LEU 126 126 25509 1 . ALA 127 127 25509 1 . GLN 128 128 25509 1 . ALA 129 129 25509 1 . GLY 130 130 25509 1 . ALA 131 131 25509 1 . THR 132 132 25509 1 . ILE 133 133 25509 1 . LYS 134 134 25509 1 . ILE 135 135 25509 1 . MET 136 136 25509 1 . ASN 137 137 25509 1 . TYR 138 138 25509 1 . ASP 139 139 25509 1 . GLU 140 140 25509 1 . PHE 141 141 25509 1 . GLN 142 142 25509 1 . HIS 143 143 25509 1 . CYS 144 144 25509 1 . TRP 145 145 25509 1 . SER 146 146 25509 1 . LYS 147 147 25509 1 . PHE 148 148 25509 1 . VAL 149 149 25509 1 . TYR 150 150 25509 1 . SER 151 151 25509 1 . GLN 152 152 25509 1 . GLY 153 153 25509 1 . ALA 154 154 25509 1 . PRO 155 155 25509 1 . PHE 156 156 25509 1 . GLN 157 157 25509 1 . PRO 158 158 25509 1 . TRP 159 159 25509 1 . ASP 160 160 25509 1 . GLY 161 161 25509 1 . LEU 162 162 25509 1 . ASP 163 163 25509 1 . GLU 164 164 25509 1 . HIS 165 165 25509 1 . SER 166 166 25509 1 . GLN 167 167 25509 1 . ALA 168 168 25509 1 . LEU 169 169 25509 1 . SER 170 170 25509 1 . GLY 171 171 25509 1 . ARG 172 172 25509 1 . LEU 173 173 25509 1 . GLY 174 174 25509 1 . GLU 175 175 25509 1 . ILE 176 176 25509 1 . LEU 177 177 25509 1 . ARG 178 178 25509 1 . HIS 179 179 25509 1 . SER 180 180 25509 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25509 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 25509 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25509 2 ZN 'Three letter code' 25509 2 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 1 ZN $chem_comp_ZN 25509 2 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 25509 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 25509 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 25509 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pCold-GST . . . 25509 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 25509 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 25509 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25509 ZN [Zn++] SMILES CACTVS 3.341 25509 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25509 ZN [Zn+2] SMILES ACDLabs 10.04 25509 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25509 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25509 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 25509 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25509 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25509 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25509 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 15N; U-85% 2H]' . . 1 $entity . . 0.15-0.20 . . mM . . . . 25509 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 1 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 1 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 1 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 1 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25509 1 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25509 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25509 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N; U-85% 2H]' . . 1 $entity . . 0.15-0.20 . . mM . . . . 25509 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 2 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 2 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 2 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 2 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 2 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25509 2 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25509 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25509 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N; U-60% 2H]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 3 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 3 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 3 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 3 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 3 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 3 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25509 3 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25509 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25509 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-80% 2H; 100% 15N-Arg]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 4 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 4 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 4 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 4 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 4 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 4 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25509 4 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25509 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 25509 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-80% 2H; 100% 15N-Ile]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 5 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 5 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 5 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 5 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 5 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 5 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 5 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25509 5 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25509 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 25509 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-80% 2H; 100% 15N-Leu]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 6 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 6 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 6 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 6 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 6 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 6 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 6 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25509 6 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25509 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 25509 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-80% 2H; 100% 15N-Lys]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 7 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 7 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 7 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 7 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 7 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 7 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 7 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25509 7 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25509 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 25509 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-80% 2H; 100% 15N-Phe]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 8 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 8 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 8 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 8 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 8 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 8 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 8 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25509 8 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25509 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 25509 _Sample.ID 9 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-80% 2H; 100% 15N-Tyr]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 9 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 9 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 9 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 9 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 9 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 9 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 9 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25509 9 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25509 9 stop_ save_ save_sample_10 _Sample.Sf_category sample _Sample.Sf_framecode sample_10 _Sample.Entry_ID 25509 _Sample.ID 10 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-80% 2H; 100% 1H, 100% 13C-Ala]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 10 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 10 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 10 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 10 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 10 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 10 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 10 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25509 10 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25509 10 stop_ save_ save_sample_11 _Sample.Sf_category sample _Sample.Sf_framecode sample_11 _Sample.Entry_ID 25509 _Sample.ID 11 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-80% 2H; 100% 1H, 100% 13C-Arg]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 11 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 11 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 11 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 11 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 11 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 11 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 11 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25509 11 stop_ save_ save_sample_12 _Sample.Sf_category sample _Sample.Sf_framecode sample_12 _Sample.Entry_ID 25509 _Sample.ID 12 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-80% 2H; 100% 1H, 100% 13C-Ile]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 12 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 12 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 12 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 12 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 12 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 12 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 12 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25509 12 stop_ save_ save_sample_13 _Sample.Sf_category sample _Sample.Sf_framecode sample_13 _Sample.Entry_ID 25509 _Sample.ID 13 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-80% 2H; 100% 1H, 100% 13C-Leu]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 13 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 13 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 13 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 13 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 13 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 13 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 13 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25509 13 stop_ save_ save_sample_14 _Sample.Sf_category sample _Sample.Sf_framecode sample_14 _Sample.Entry_ID 25509 _Sample.ID 14 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-80% 2H; 100% 1H, 100% 13C-Lys]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 14 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 14 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 14 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 14 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 14 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 14 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 14 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25509 14 stop_ save_ save_sample_15 _Sample.Sf_category sample _Sample.Sf_framecode sample_15 _Sample.Entry_ID 25509 _Sample.ID 15 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-80% 2H; 100% 1H, 100% 13C-Met]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 15 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 15 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 15 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 15 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 15 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 15 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 15 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25509 15 stop_ save_ save_sample_16 _Sample.Sf_category sample _Sample.Sf_framecode sample_16 _Sample.Entry_ID 25509 _Sample.ID 16 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-80% 2H; 100% 1H, 100% 13C-Phe]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 16 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 16 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 16 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 16 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 16 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 16 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 16 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25509 16 stop_ save_ save_sample_17 _Sample.Sf_category sample _Sample.Sf_framecode sample_17 _Sample.Entry_ID 25509 _Sample.ID 17 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-80% 2H; 100% 1H, 100% 13C-Thr]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 17 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 17 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 17 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 17 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 17 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 17 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 17 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25509 17 stop_ save_ save_sample_18 _Sample.Sf_category sample _Sample.Sf_framecode sample_18 _Sample.Entry_ID 25509 _Sample.ID 18 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-80% 2H; 100% 1H, 100% 13C-Tyr]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 18 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 18 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 18 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 18 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 18 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 18 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 18 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25509 18 stop_ save_ save_sample_19 _Sample.Sf_category sample _Sample.Sf_framecode sample_19 _Sample.Entry_ID 25509 _Sample.ID 19 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-80% 2H; 100% 1H, 100% 13C-Val]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 19 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 19 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 19 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 19 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 19 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 19 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 19 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25509 19 stop_ save_ save_sample_20 _Sample.Sf_category sample _Sample.Sf_framecode sample_20 _Sample.Entry_ID 25509 _Sample.ID 20 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-80% 2H; 100% 1H-Phe,Tyr,Ile]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 20 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 20 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 20 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 20 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 20 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 20 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 20 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25509 20 stop_ save_ save_sample_21 _Sample.Sf_category sample _Sample.Sf_framecode sample_21 _Sample.Entry_ID 25509 _Sample.ID 21 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-80% 2H; 100% 1H-Phe,Tyr,Leu]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 21 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 21 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 21 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 21 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 21 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 21 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 21 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25509 21 stop_ save_ save_sample_22 _Sample.Sf_category sample _Sample.Sf_framecode sample_22 _Sample.Entry_ID 25509 _Sample.ID 22 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-80% 2H; 100% 1H-Phe,Tyr,Val]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 22 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 22 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 22 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 22 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 22 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 22 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 22 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25509 22 stop_ save_ save_sample_23 _Sample.Sf_category sample _Sample.Sf_framecode sample_23 _Sample.Entry_ID 25509 _Sample.ID 23 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-80% 2H; 100% 1H-Trp,Ile,Leu,Val]' . . 1 $entity . . 0.05-0.10 . . mM . . . . 25509 23 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 23 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 23 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 23 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 23 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 23 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 23 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25509 23 stop_ save_ save_sample_24 _Sample.Sf_category sample _Sample.Sf_framecode sample_24 _Sample.Entry_ID 25509 _Sample.ID 24 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity 'natural abundance' . . 1 $entity . . 0.15-0.20 . . mM . . . . 25509 24 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25509 24 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25509 24 4 'Tween 20' 'natural abundance' . . . . . . 0.005 . . % . . . . 25509 24 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 25509 24 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 25509 24 7 'Choline o-sulfate' '[U-98% 2H]' . . . . . . 0.5 . . M . . . . 25509 24 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25509 24 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 25509 _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 pH 7.3 . pH 25509 1 pressure 1 . atm 25509 1 temperature 298 . K 25509 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25509 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25509 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25509 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25509 _Software.ID 2 _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' . . 25509 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25509 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25509 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25509 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25509 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25509 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25509 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'estimation of dihedral angles' 25509 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25509 _Software.ID 5 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25509 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25509 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 25509 _Software.ID 6 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 25509 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'drawing structures' 25509 6 stop_ save_ save_MacPyMol _Software.Sf_category software _Software.Sf_framecode MacPyMol _Software.Entry_ID 25509 _Software.ID 7 _Software.Name MacPyMol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Schrodinger . . 25509 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'drawing structures' 25509 7 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 25509 _Software.ID 8 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 25509 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'evaluation of structure quality' 25509 8 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 25509 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25509 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25509 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25509 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25509 1 2 spectrometer_2 Bruker Avance . 850 . . . 25509 1 3 spectrometer_3 Bruker Avance . 900 . . . 25509 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 25509 _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 TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 2 '3D HNCA-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 3 '3D HN(CO)CA-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 4 '3D HNCO-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 5 '3D HN(CA)CO-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 6 '3D HNCACB-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 7 '3D HN(CO)CACB-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 8 '3D 15N-edited NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 9 '2D 1H-15N TROSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 10 '2D 1H-15N TROSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 11 '2D 1H-15N TROSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 12 '2D 1H-15N TROSY' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 13 '2D 1H-15N TROSY' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 14 '2D 1H-15N TROSY' no . . . . . . . . . . 9 $sample_9 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . 10 $sample_10 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 16 '2D 1H-13C HSQC' no . . . . . . . . . . 11 $sample_11 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 17 '2D 1H-13C HSQC' no . . . . . . . . . . 12 $sample_12 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 18 '2D 1H-13C HSQC' no . . . . . . . . . . 13 $sample_13 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 19 '2D 1H-13C HSQC' no . . . . . . . . . . 14 $sample_14 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 20 '2D 1H-13C HSQC' no . . . . . . . . . . 15 $sample_15 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 21 '2D 1H-13C HSQC' no . . . . . . . . . . 16 $sample_16 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 22 '2D 1H-13C HSQC' no . . . . . . . . . . 17 $sample_17 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 23 '2D 1H-13C HSQC' no . . . . . . . . . . 18 $sample_18 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 24 '2D 1H-13C HSQC' no . . . . . . . . . . 19 $sample_19 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 25 '2D 1H-1H NOESY' no . . . . . . . . . . 10 $sample_10 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 26 '2D 1H-1H NOESY' no . . . . . . . . . . 11 $sample_11 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 27 '2D 1H-1H NOESY' no . . . . . . . . . . 12 $sample_12 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 28 '2D 1H-1H NOESY' no . . . . . . . . . . 13 $sample_13 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 29 '2D 1H-1H NOESY' no . . . . . . . . . . 14 $sample_14 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 30 '2D 1H-1H NOESY' no . . . . . . . . . . 15 $sample_15 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 31 '2D 1H-1H NOESY' no . . . . . . . . . . 16 $sample_16 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 32 '2D 1H-1H NOESY' no . . . . . . . . . . 17 $sample_17 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 33 '2D 1H-1H NOESY' no . . . . . . . . . . 18 $sample_18 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 34 '2D 1H-1H NOESY' no . . . . . . . . . . 19 $sample_19 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 35 '2D 1H-1H NOESY' no . . . . . . . . . . 20 $sample_20 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 36 '2D 1H-1H NOESY' no . . . . . . . . . . 21 $sample_21 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 37 '2D 1H-1H NOESY' no . . . . . . . . . . 22 $sample_22 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 38 '2D 1H-1H NOESY' no . . . . . . . . . . 23 $sample_23 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 39 '2D 1H-1H NOESY' no . . . . . . . . . . 24 $sample_24 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 1 40 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25509 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 25509 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 25509 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 25509 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 25509 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 25509 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 TROSY' . . . 25509 1 2 '3D HNCA-TROSY' . . . 25509 1 3 '3D HN(CO)CA-TROSY' . . . 25509 1 4 '3D HNCO-TROSY' . . . 25509 1 5 '3D HN(CA)CO-TROSY' . . . 25509 1 6 '3D HNCACB-TROSY' . . . 25509 1 7 '3D HN(CO)CACB-TROSY' . . . 25509 1 8 '3D 15N-edited NOESY' . . . 25509 1 9 '2D 1H-15N TROSY' . . . 25509 1 10 '2D 1H-15N TROSY' . . . 25509 1 11 '2D 1H-15N TROSY' . . . 25509 1 12 '2D 1H-15N TROSY' . . . 25509 1 13 '2D 1H-15N TROSY' . . . 25509 1 14 '2D 1H-15N TROSY' . . . 25509 1 15 '2D 1H-13C HSQC' . . . 25509 1 16 '2D 1H-13C HSQC' . . . 25509 1 17 '2D 1H-13C HSQC' . . . 25509 1 18 '2D 1H-13C HSQC' . . . 25509 1 19 '2D 1H-13C HSQC' . . . 25509 1 20 '2D 1H-13C HSQC' . . . 25509 1 21 '2D 1H-13C HSQC' . . . 25509 1 22 '2D 1H-13C HSQC' . . . 25509 1 23 '2D 1H-13C HSQC' . . . 25509 1 24 '2D 1H-13C HSQC' . . . 25509 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 4.275 0.01 . 1 . . . A 1 MET HA . 25509 1 2 . 1 1 1 1 MET H H 1 8.534 0.01 . 1 . . . A 1 MET H1 . 25509 1 3 . 1 1 1 1 MET C C 13 174.618 0.97 . 1 . . . A 1 MET C . 25509 1 4 . 1 1 1 1 MET CA C 13 55.681 0.97 . 1 . . . A 1 MET CA . 25509 1 5 . 1 1 1 1 MET N N 15 121.285 0.56 . 1 . . . A 1 MET N . 25509 1 6 . 1 1 2 2 ASP H H 1 8.114 0.01 . 1 . . . A 2 ASP H . 25509 1 7 . 1 1 2 2 ASP C C 13 174.657 0.97 . 1 . . . A 2 ASP C . 25509 1 8 . 1 1 2 2 ASP CA C 13 52.100 0.97 . 1 . . . A 2 ASP CA . 25509 1 9 . 1 1 2 2 ASP N N 15 123.241 0.56 . 1 . . . A 2 ASP N . 25509 1 10 . 1 1 3 3 PRO C C 13 178.464 0.97 . 1 . . . A 3 PRO C . 25509 1 11 . 1 1 3 3 PRO CA C 13 66.499 0.97 . 1 . . . A 3 PRO CA . 25509 1 12 . 1 1 4 4 ASP H H 1 8.509 0.01 . 1 . . . A 4 ASP H . 25509 1 13 . 1 1 4 4 ASP HA H 1 4.448 0.01 . 1 . . . A 4 ASP HA . 25509 1 14 . 1 1 4 4 ASP C C 13 178.808 0.97 . 1 . . . A 4 ASP C . 25509 1 15 . 1 1 4 4 ASP CA C 13 57.247 0.97 . 1 . . . A 4 ASP CA . 25509 1 16 . 1 1 4 4 ASP N N 15 118.258 0.56 . 1 . . . A 4 ASP N . 25509 1 17 . 1 1 5 5 THR H H 1 8.150 0.01 . 1 . . . A 5 THR H . 25509 1 18 . 1 1 5 5 THR HA H 1 3.859 0.01 . 1 . . . A 5 THR HA . 25509 1 19 . 1 1 5 5 THR C C 13 177.699 0.97 . 1 . . . A 5 THR C . 25509 1 20 . 1 1 5 5 THR CA C 13 66.182 0.97 . 1 . . . A 5 THR CA . 25509 1 21 . 1 1 5 5 THR N N 15 119.780 0.56 . 1 . . . A 5 THR N . 25509 1 22 . 1 1 6 6 PHE H H 1 8.297 0.01 . 1 . . . A 6 PHE H . 25509 1 23 . 1 1 6 6 PHE HA H 1 4.204 0.01 . 1 . . . A 6 PHE HA . 25509 1 24 . 1 1 6 6 PHE C C 13 176.665 0.97 . 1 . . . A 6 PHE C . 25509 1 25 . 1 1 6 6 PHE CA C 13 61.800 0.97 . 1 . . . A 6 PHE CA . 25509 1 26 . 1 1 6 6 PHE N N 15 124.329 0.56 . 1 . . . A 6 PHE N . 25509 1 27 . 1 1 7 7 SER H H 1 8.752 0.01 . 1 . . . A 7 SER H . 25509 1 28 . 1 1 7 7 SER C C 13 176.138 0.97 . 1 . . . A 7 SER C . 25509 1 29 . 1 1 7 7 SER CA C 13 61.480 0.97 . 1 . . . A 7 SER CA . 25509 1 30 . 1 1 7 7 SER N N 15 116.185 0.56 . 1 . . . A 7 SER N . 25509 1 31 . 1 1 8 8 TYR H H 1 7.967 0.01 . 1 . . . A 8 TYR H . 25509 1 32 . 1 1 8 8 TYR HA H 1 4.047 0.01 . 1 . . . A 8 TYR HA . 25509 1 33 . 1 1 8 8 TYR C C 13 177.077 0.97 . 1 . . . A 8 TYR C . 25509 1 34 . 1 1 8 8 TYR CA C 13 60.282 0.97 . 1 . . . A 8 TYR CA . 25509 1 35 . 1 1 8 8 TYR N N 15 118.689 0.56 . 1 . . . A 8 TYR N . 25509 1 36 . 1 1 9 9 ASN H H 1 7.577 0.01 . 1 . . . A 9 ASN H . 25509 1 37 . 1 1 9 9 ASN HA H 1 4.230 0.01 . 1 . . . A 9 ASN HA . 25509 1 38 . 1 1 9 9 ASN C C 13 175.101 0.97 . 1 . . . A 9 ASN C . 25509 1 39 . 1 1 9 9 ASN CA C 13 56.087 0.97 . 1 . . . A 9 ASN CA . 25509 1 40 . 1 1 9 9 ASN N N 15 113.034 0.56 . 1 . . . A 9 ASN N . 25509 1 41 . 1 1 10 10 PHE H H 1 8.655 0.01 . 1 . . . A 10 PHE H . 25509 1 42 . 1 1 10 10 PHE HA H 1 3.876 0.01 . 1 . . . A 10 PHE HA . 25509 1 43 . 1 1 10 10 PHE C C 13 171.880 0.97 . 1 . . . A 10 PHE C . 25509 1 44 . 1 1 10 10 PHE CA C 13 58.762 0.97 . 1 . . . A 10 PHE CA . 25509 1 45 . 1 1 10 10 PHE N N 15 117.719 0.56 . 1 . . . A 10 PHE N . 25509 1 46 . 1 1 11 11 ASN H H 1 6.097 0.01 . 1 . . . A 11 ASN H . 25509 1 47 . 1 1 11 11 ASN C C 13 174.730 0.97 . 1 . . . A 11 ASN C . 25509 1 48 . 1 1 11 11 ASN CA C 13 53.439 0.97 . 1 . . . A 11 ASN CA . 25509 1 49 . 1 1 11 11 ASN N N 15 114.885 0.56 . 1 . . . A 11 ASN N . 25509 1 50 . 1 1 12 12 ASN H H 1 6.688 0.01 . 1 . . . A 12 ASN H . 25509 1 51 . 1 1 12 12 ASN HA H 1 4.365 0.01 . 1 . . . A 12 ASN HA . 25509 1 52 . 1 1 12 12 ASN C C 13 174.578 0.97 . 1 . . . A 12 ASN C . 25509 1 53 . 1 1 12 12 ASN CA C 13 51.417 0.97 . 1 . . . A 12 ASN CA . 25509 1 54 . 1 1 12 12 ASN N N 15 121.039 0.56 . 1 . . . A 12 ASN N . 25509 1 55 . 1 1 13 13 ARG H H 1 7.589 0.01 . 1 . . . A 13 ARG H . 25509 1 56 . 1 1 13 13 ARG HA H 1 3.588 0.01 . 1 . . . A 13 ARG HA . 25509 1 57 . 1 1 13 13 ARG C C 13 175.049 0.97 . 1 . . . A 13 ARG C . 25509 1 58 . 1 1 13 13 ARG CA C 13 54.330 0.97 . 1 . . . A 13 ARG CA . 25509 1 59 . 1 1 13 13 ARG N N 15 119.646 0.56 . 1 . . . A 13 ARG N . 25509 1 60 . 1 1 14 14 PRO C C 13 176.477 0.97 . 1 . . . A 14 PRO C . 25509 1 61 . 1 1 14 14 PRO CA C 13 63.180 0.97 . 1 . . . A 14 PRO CA . 25509 1 62 . 1 1 15 15 ILE H H 1 7.827 0.01 . 1 . . . A 15 ILE H . 25509 1 63 . 1 1 15 15 ILE HA H 1 4.283 0.01 . 1 . . . A 15 ILE HA . 25509 1 64 . 1 1 15 15 ILE C C 13 175.956 0.97 . 1 . . . A 15 ILE C . 25509 1 65 . 1 1 15 15 ILE CA C 13 60.026 0.97 . 1 . . . A 15 ILE CA . 25509 1 66 . 1 1 15 15 ILE N N 15 120.304 0.56 . 1 . . . A 15 ILE N . 25509 1 67 . 1 1 16 16 LEU H H 1 8.283 0.01 . 1 . . . A 16 LEU H . 25509 1 68 . 1 1 16 16 LEU HA H 1 4.301 0.01 . 1 . . . A 16 LEU HA . 25509 1 69 . 1 1 16 16 LEU C C 13 177.213 0.97 . 1 . . . A 16 LEU C . 25509 1 70 . 1 1 16 16 LEU CA C 13 55.089 0.97 . 1 . . . A 16 LEU CA . 25509 1 71 . 1 1 16 16 LEU N N 15 124.585 0.56 . 1 . . . A 16 LEU N . 25509 1 72 . 1 1 17 17 SER H H 1 7.782 0.01 . 1 . . . A 17 SER H . 25509 1 73 . 1 1 17 17 SER C C 13 173.733 0.97 . 1 . . . A 17 SER C . 25509 1 74 . 1 1 17 17 SER CA C 13 57.371 0.97 . 1 . . . A 17 SER CA . 25509 1 75 . 1 1 17 17 SER N N 15 115.176 0.56 . 1 . . . A 17 SER N . 25509 1 76 . 1 1 18 18 ARG H H 1 8.318 0.01 . 1 . . . A 18 ARG H . 25509 1 77 . 1 1 18 18 ARG HA H 1 4.204 0.01 . 1 . . . A 18 ARG HA . 25509 1 78 . 1 1 18 18 ARG C C 13 176.524 0.97 . 1 . . . A 18 ARG C . 25509 1 79 . 1 1 18 18 ARG CA C 13 55.944 0.97 . 1 . . . A 18 ARG CA . 25509 1 80 . 1 1 18 18 ARG N N 15 122.072 0.56 . 1 . . . A 18 ARG N . 25509 1 81 . 1 1 21 21 THR HA H 1 4.574 0.01 . 1 . . . A 21 THR HA . 25509 1 82 . 1 1 22 22 VAL HA H 1 4.030 0.01 . 1 . . . A 22 VAL HA . 25509 1 83 . 1 1 22 22 VAL CA C 13 61.772 0.97 . 1 . . . A 22 VAL CA . 25509 1 84 . 1 1 24 24 LEU HA H 1 5.079 0.01 . 1 . . . A 24 LEU HA . 25509 1 85 . 1 1 24 24 LEU C C 13 174.326 0.97 . 1 . . . A 24 LEU C . 25509 1 86 . 1 1 24 24 LEU CA C 13 54.203 0.97 . 1 . . . A 24 LEU CA . 25509 1 87 . 1 1 25 25 CYS H H 1 9.325 0.01 . 1 . . . A 25 CYS H . 25509 1 88 . 1 1 25 25 CYS HA H 1 4.699 0.01 . 1 . . . A 25 CYS HA . 25509 1 89 . 1 1 25 25 CYS C C 13 173.285 0.97 . 1 . . . A 25 CYS C . 25509 1 90 . 1 1 25 25 CYS CA C 13 57.086 0.97 . 1 . . . A 25 CYS CA . 25509 1 91 . 1 1 25 25 CYS N N 15 126.908 0.56 . 1 . . . A 25 CYS N . 25509 1 92 . 1 1 26 26 TYR H H 1 9.039 0.01 . 1 . . . A 26 TYR H . 25509 1 93 . 1 1 26 26 TYR HA H 1 6.300 0.01 . 1 . . . A 26 TYR HA . 25509 1 94 . 1 1 26 26 TYR C C 13 173.449 0.97 . 1 . . . A 26 TYR C . 25509 1 95 . 1 1 26 26 TYR CA C 13 54.582 0.97 . 1 . . . A 26 TYR CA . 25509 1 96 . 1 1 26 26 TYR N N 15 120.745 0.56 . 1 . . . A 26 TYR N . 25509 1 97 . 1 1 27 27 GLU H H 1 9.358 0.01 . 1 . . . A 27 GLU H . 25509 1 98 . 1 1 27 27 GLU C C 13 175.348 0.97 . 1 . . . A 27 GLU C . 25509 1 99 . 1 1 27 27 GLU CA C 13 54.548 0.97 . 1 . . . A 27 GLU CA . 25509 1 100 . 1 1 27 27 GLU N N 15 118.222 0.56 . 1 . . . A 27 GLU N . 25509 1 101 . 1 1 28 28 VAL H H 1 9.479 0.01 . 1 . . . A 28 VAL H . 25509 1 102 . 1 1 28 28 VAL HA H 1 4.914 0.01 . 1 . . . A 28 VAL HA . 25509 1 103 . 1 1 28 28 VAL C C 13 174.085 0.97 . 1 . . . A 28 VAL C . 25509 1 104 . 1 1 28 28 VAL CA C 13 61.231 0.97 . 1 . . . A 28 VAL CA . 25509 1 105 . 1 1 28 28 VAL N N 15 124.182 0.56 . 1 . . . A 28 VAL N . 25509 1 106 . 1 1 29 29 LYS H H 1 9.151 0.01 . 1 . . . A 29 LYS H . 25509 1 107 . 1 1 29 29 LYS HA H 1 5.391 0.01 . 1 . . . A 29 LYS HA . 25509 1 108 . 1 1 29 29 LYS C C 13 175.631 0.97 . 1 . . . A 29 LYS C . 25509 1 109 . 1 1 29 29 LYS CA C 13 54.136 0.97 . 1 . . . A 29 LYS CA . 25509 1 110 . 1 1 29 29 LYS N N 15 127.566 0.56 . 1 . . . A 29 LYS N . 25509 1 111 . 1 1 30 30 THR H H 1 8.615 0.01 . 1 . . . A 30 THR H . 25509 1 112 . 1 1 30 30 THR HA H 1 4.617 0.01 . 1 . . . A 30 THR HA . 25509 1 113 . 1 1 30 30 THR C C 13 173.948 0.97 . 1 . . . A 30 THR C . 25509 1 114 . 1 1 30 30 THR CA C 13 61.228 0.97 . 1 . . . A 30 THR CA . 25509 1 115 . 1 1 30 30 THR N N 15 118.721 0.56 . 1 . . . A 30 THR N . 25509 1 116 . 1 1 31 31 LYS H H 1 8.400 0.01 . 1 . . . A 31 LYS H . 25509 1 117 . 1 1 31 31 LYS HA H 1 3.868 0.01 . 1 . . . A 31 LYS HA . 25509 1 118 . 1 1 31 31 LYS C C 13 176.799 0.97 . 1 . . . A 31 LYS C . 25509 1 119 . 1 1 31 31 LYS CA C 13 56.250 0.97 . 1 . . . A 31 LYS CA . 25509 1 120 . 1 1 31 31 LYS N N 15 125.634 0.56 . 1 . . . A 31 LYS N . 25509 1 121 . 1 1 32 32 GLY H H 1 8.170 0.01 . 1 . . . A 32 GLY H . 25509 1 122 . 1 1 32 32 GLY C C 13 171.007 0.97 . 1 . . . A 32 GLY C . 25509 1 123 . 1 1 32 32 GLY CA C 13 44.006 0.97 . 1 . . . A 32 GLY CA . 25509 1 124 . 1 1 32 32 GLY N N 15 111.069 0.56 . 1 . . . A 32 GLY N . 25509 1 125 . 1 1 33 33 PRO C C 13 176.964 0.97 . 1 . . . A 33 PRO C . 25509 1 126 . 1 1 33 33 PRO CA C 13 62.675 0.97 . 1 . . . A 33 PRO CA . 25509 1 127 . 1 1 34 34 SER H H 1 8.383 0.01 . 1 . . . A 34 SER H . 25509 1 128 . 1 1 34 34 SER HA H 1 4.372 0.01 . 1 . . . A 34 SER HA . 25509 1 129 . 1 1 34 34 SER C C 13 173.728 0.97 . 1 . . . A 34 SER C . 25509 1 130 . 1 1 34 34 SER CA C 13 57.933 0.97 . 1 . . . A 34 SER CA . 25509 1 131 . 1 1 34 34 SER N N 15 117.301 0.56 . 1 . . . A 34 SER N . 25509 1 132 . 1 1 35 35 ARG H H 1 8.153 0.01 . 1 . . . A 35 ARG H . 25509 1 133 . 1 1 35 35 ARG HA H 1 4.572 0.01 . 1 . . . A 35 ARG HA . 25509 1 134 . 1 1 35 35 ARG C C 13 173.256 0.97 . 1 . . . A 35 ARG C . 25509 1 135 . 1 1 35 35 ARG CA C 13 53.217 0.97 . 1 . . . A 35 ARG CA . 25509 1 136 . 1 1 35 35 ARG N N 15 123.829 0.56 . 1 . . . A 35 ARG N . 25509 1 137 . 1 1 37 37 PRO C C 13 176.060 0.97 . 1 . . . A 37 PRO C . 25509 1 138 . 1 1 37 37 PRO CA C 13 63.234 0.97 . 1 . . . A 37 PRO CA . 25509 1 139 . 1 1 38 38 LEU H H 1 8.347 0.01 . 1 . . . A 38 LEU H . 25509 1 140 . 1 1 38 38 LEU HA H 1 4.139 0.01 . 1 . . . A 38 LEU HA . 25509 1 141 . 1 1 38 38 LEU C C 13 176.490 0.97 . 1 . . . A 38 LEU C . 25509 1 142 . 1 1 38 38 LEU CA C 13 55.202 0.97 . 1 . . . A 38 LEU CA . 25509 1 143 . 1 1 38 38 LEU N N 15 126.508 0.56 . 1 . . . A 38 LEU N . 25509 1 144 . 1 1 39 39 ASP H H 1 8.299 0.01 . 1 . . . A 39 ASP H . 25509 1 145 . 1 1 39 39 ASP HA H 1 4.371 0.01 . 1 . . . A 39 ASP HA . 25509 1 146 . 1 1 39 39 ASP C C 13 175.525 0.97 . 1 . . . A 39 ASP C . 25509 1 147 . 1 1 39 39 ASP CA C 13 53.948 0.97 . 1 . . . A 39 ASP CA . 25509 1 148 . 1 1 39 39 ASP N N 15 120.060 0.56 . 1 . . . A 39 ASP N . 25509 1 149 . 1 1 40 40 ALA H H 1 7.972 0.01 . 1 . . . A 40 ALA H . 25509 1 150 . 1 1 40 40 ALA HA H 1 4.366 0.01 . 1 . . . A 40 ALA HA . 25509 1 151 . 1 1 40 40 ALA C C 13 177.243 0.97 . 1 . . . A 40 ALA C . 25509 1 152 . 1 1 40 40 ALA CA C 13 51.583 0.97 . 1 . . . A 40 ALA CA . 25509 1 153 . 1 1 40 40 ALA N N 15 123.020 0.56 . 1 . . . A 40 ALA N . 25509 1 154 . 1 1 41 41 LYS H H 1 8.286 0.01 . 1 . . . A 41 LYS H . 25509 1 155 . 1 1 41 41 LYS HA H 1 4.350 0.01 . 1 . . . A 41 LYS HA . 25509 1 156 . 1 1 41 41 LYS C C 13 175.874 0.97 . 1 . . . A 41 LYS C . 25509 1 157 . 1 1 41 41 LYS CA C 13 56.520 0.97 . 1 . . . A 41 LYS CA . 25509 1 158 . 1 1 41 41 LYS N N 15 120.582 0.56 . 1 . . . A 41 LYS N . 25509 1 159 . 1 1 42 42 ILE H H 1 7.830 0.01 . 1 . . . A 42 ILE H . 25509 1 160 . 1 1 42 42 ILE HA H 1 4.878 0.01 . 1 . . . A 42 ILE HA . 25509 1 161 . 1 1 42 42 ILE C C 13 174.828 0.97 . 1 . . . A 42 ILE C . 25509 1 162 . 1 1 42 42 ILE CA C 13 59.878 0.97 . 1 . . . A 42 ILE CA . 25509 1 163 . 1 1 42 42 ILE N N 15 119.815 0.56 . 1 . . . A 42 ILE N . 25509 1 164 . 1 1 43 43 PHE H H 1 8.780 0.01 . 1 . . . A 43 PHE H . 25509 1 165 . 1 1 43 43 PHE HA H 1 4.885 0.01 . 1 . . . A 43 PHE HA . 25509 1 166 . 1 1 43 43 PHE C C 13 173.801 0.97 . 1 . . . A 43 PHE C . 25509 1 167 . 1 1 43 43 PHE CA C 13 56.273 0.97 . 1 . . . A 43 PHE CA . 25509 1 168 . 1 1 43 43 PHE N N 15 126.131 0.56 . 1 . . . A 43 PHE N . 25509 1 169 . 1 1 44 44 ARG H H 1 8.368 0.01 . 1 . . . A 44 ARG H . 25509 1 170 . 1 1 44 44 ARG HA H 1 5.506 0.01 . 1 . . . A 44 ARG HA . 25509 1 171 . 1 1 44 44 ARG C C 13 175.196 0.97 . 1 . . . A 44 ARG C . 25509 1 172 . 1 1 44 44 ARG CA C 13 54.267 0.97 . 1 . . . A 44 ARG CA . 25509 1 173 . 1 1 44 44 ARG N N 15 122.879 0.56 . 1 . . . A 44 ARG N . 25509 1 174 . 1 1 45 45 GLY H H 1 7.714 0.01 . 1 . . . A 45 GLY H . 25509 1 175 . 1 1 45 45 GLY C C 13 169.838 0.97 . 1 . . . A 45 GLY C . 25509 1 176 . 1 1 45 45 GLY CA C 13 44.841 0.97 . 1 . . . A 45 GLY CA . 25509 1 177 . 1 1 45 45 GLY N N 15 108.917 0.56 . 1 . . . A 45 GLY N . 25509 1 178 . 1 1 46 46 GLN H H 1 8.411 0.01 . 1 . . . A 46 GLN H . 25509 1 179 . 1 1 46 46 GLN HA H 1 5.607 0.01 . 1 . . . A 46 GLN HA . 25509 1 180 . 1 1 46 46 GLN C C 13 174.884 0.97 . 1 . . . A 46 GLN C . 25509 1 181 . 1 1 46 46 GLN CA C 13 53.906 0.97 . 1 . . . A 46 GLN CA . 25509 1 182 . 1 1 46 46 GLN N N 15 113.774 0.56 . 1 . . . A 46 GLN N . 25509 1 183 . 1 1 47 47 VAL H H 1 9.499 0.01 . 1 . . . A 47 VAL H . 25509 1 184 . 1 1 47 47 VAL HA H 1 4.375 0.01 . 1 . . . A 47 VAL HA . 25509 1 185 . 1 1 47 47 VAL C C 13 172.005 0.97 . 1 . . . A 47 VAL C . 25509 1 186 . 1 1 47 47 VAL CA C 13 59.977 0.97 . 1 . . . A 47 VAL CA . 25509 1 187 . 1 1 47 47 VAL N N 15 120.282 0.56 . 1 . . . A 47 VAL N . 25509 1 188 . 1 1 49 49 SER C C 13 173.486 0.97 . 1 . . . A 49 SER C . 25509 1 189 . 1 1 49 49 SER CA C 13 57.077 0.97 . 1 . . . A 49 SER CA . 25509 1 190 . 1 1 50 50 GLU H H 1 8.748 0.01 . 1 . . . A 50 GLU H . 25509 1 191 . 1 1 50 50 GLU C C 13 175.276 0.97 . 1 . . . A 50 GLU C . 25509 1 192 . 1 1 50 50 GLU CA C 13 54.505 0.97 . 1 . . . A 50 GLU CA . 25509 1 193 . 1 1 50 50 GLU N N 15 123.998 0.56 . 1 . . . A 50 GLU N . 25509 1 194 . 1 1 51 51 ASP H H 1 8.479 0.01 . 1 . . . A 51 ASP H . 25509 1 195 . 1 1 51 51 ASP C C 13 176.320 0.97 . 1 . . . A 51 ASP C . 25509 1 196 . 1 1 51 51 ASP CA C 13 52.910 0.97 . 1 . . . A 51 ASP CA . 25509 1 197 . 1 1 51 51 ASP N N 15 123.737 0.56 . 1 . . . A 51 ASP N . 25509 1 198 . 1 1 52 52 LYS H H 1 7.677 0.01 . 1 . . . A 52 LYS H . 25509 1 199 . 1 1 52 52 LYS HA H 1 4.132 0.01 . 1 . . . A 52 LYS HA . 25509 1 200 . 1 1 52 52 LYS C C 13 175.538 0.97 . 1 . . . A 52 LYS C . 25509 1 201 . 1 1 52 52 LYS CA C 13 57.089 0.97 . 1 . . . A 52 LYS CA . 25509 1 202 . 1 1 52 52 LYS N N 15 114.578 0.56 . 1 . . . A 52 LYS N . 25509 1 203 . 1 1 53 53 TYR H H 1 8.490 0.01 . 1 . . . A 53 TYR H . 25509 1 204 . 1 1 53 53 TYR HA H 1 4.770 0.01 . 1 . . . A 53 TYR HA . 25509 1 205 . 1 1 53 53 TYR C C 13 175.498 0.97 . 1 . . . A 53 TYR C . 25509 1 206 . 1 1 53 53 TYR CA C 13 53.507 0.97 . 1 . . . A 53 TYR CA . 25509 1 207 . 1 1 53 53 TYR N N 15 124.836 0.56 . 1 . . . A 53 TYR N . 25509 1 208 . 1 1 54 54 HIS H H 1 8.622 0.01 . 1 . . . A 54 HIS H . 25509 1 209 . 1 1 54 54 HIS HA H 1 4.756 0.01 . 1 . . . A 54 HIS HA . 25509 1 210 . 1 1 54 54 HIS C C 13 174.123 0.97 . 1 . . . A 54 HIS C . 25509 1 211 . 1 1 54 54 HIS CA C 13 53.734 0.97 . 1 . . . A 54 HIS CA . 25509 1 212 . 1 1 54 54 HIS N N 15 128.974 0.56 . 1 . . . A 54 HIS N . 25509 1 213 . 1 1 56 56 GLU C C 13 178.356 0.97 . 1 . . . A 56 GLU C . 25509 1 214 . 1 1 56 56 GLU CA C 13 60.597 0.97 . 1 . . . A 56 GLU CA . 25509 1 215 . 1 1 57 57 MET H H 1 6.807 0.01 . 1 . . . A 57 MET H . 25509 1 216 . 1 1 57 57 MET HA H 1 4.433 0.01 . 1 . . . A 57 MET HA . 25509 1 217 . 1 1 57 57 MET C C 13 180.454 0.97 . 1 . . . A 57 MET C . 25509 1 218 . 1 1 57 57 MET CA C 13 55.453 0.97 . 1 . . . A 57 MET CA . 25509 1 219 . 1 1 57 57 MET N N 15 113.971 0.56 . 1 . . . A 57 MET N . 25509 1 220 . 1 1 58 58 ARG H H 1 7.658 0.01 . 1 . . . A 58 ARG H . 25509 1 221 . 1 1 58 58 ARG HA H 1 3.764 0.01 . 1 . . . A 58 ARG HA . 25509 1 222 . 1 1 58 58 ARG C C 13 179.588 0.97 . 1 . . . A 58 ARG C . 25509 1 223 . 1 1 58 58 ARG CA C 13 58.505 0.97 . 1 . . . A 58 ARG CA . 25509 1 224 . 1 1 58 58 ARG N N 15 123.367 0.56 . 1 . . . A 58 ARG N . 25509 1 225 . 1 1 59 59 PHE H H 1 8.925 0.01 . 1 . . . A 59 PHE H . 25509 1 226 . 1 1 59 59 PHE HA H 1 3.558 0.01 . 1 . . . A 59 PHE HA . 25509 1 227 . 1 1 59 59 PHE C C 13 175.915 0.97 . 1 . . . A 59 PHE C . 25509 1 228 . 1 1 59 59 PHE CA C 13 61.355 0.97 . 1 . . . A 59 PHE CA . 25509 1 229 . 1 1 59 59 PHE N N 15 121.256 0.56 . 1 . . . A 59 PHE N . 25509 1 230 . 1 1 60 60 LEU H H 1 7.587 0.01 . 1 . . . A 60 LEU H . 25509 1 231 . 1 1 60 60 LEU HA H 1 3.472 0.01 . 1 . . . A 60 LEU HA . 25509 1 232 . 1 1 60 60 LEU C C 13 179.572 0.97 . 1 . . . A 60 LEU C . 25509 1 233 . 1 1 60 60 LEU CA C 13 57.365 0.97 . 1 . . . A 60 LEU CA . 25509 1 234 . 1 1 60 60 LEU N N 15 118.280 0.56 . 1 . . . A 60 LEU N . 25509 1 235 . 1 1 61 61 SER H H 1 7.479 0.01 . 1 . . . A 61 SER H . 25509 1 236 . 1 1 61 61 SER HA H 1 4.053 0.01 . 1 . . . A 61 SER HA . 25509 1 237 . 1 1 61 61 SER C C 13 176.822 0.97 . 1 . . . A 61 SER C . 25509 1 238 . 1 1 61 61 SER CA C 13 60.923 0.97 . 1 . . . A 61 SER CA . 25509 1 239 . 1 1 61 61 SER N N 15 115.099 0.56 . 1 . . . A 61 SER N . 25509 1 240 . 1 1 62 62 LEU H H 1 7.302 0.01 . 1 . . . A 62 LEU H . 25509 1 241 . 1 1 62 62 LEU HA H 1 3.394 0.01 . 1 . . . A 62 LEU HA . 25509 1 242 . 1 1 62 62 LEU C C 13 177.319 0.97 . 1 . . . A 62 LEU C . 25509 1 243 . 1 1 62 62 LEU CA C 13 56.877 0.97 . 1 . . . A 62 LEU CA . 25509 1 244 . 1 1 62 62 LEU N N 15 123.881 0.56 . 1 . . . A 62 LEU N . 25509 1 245 . 1 1 63 63 VAL H H 1 7.039 0.01 . 1 . . . A 63 VAL H . 25509 1 246 . 1 1 63 63 VAL HA H 1 2.679 0.01 . 1 . . . A 63 VAL HA . 25509 1 247 . 1 1 63 63 VAL C C 13 178.913 0.97 . 1 . . . A 63 VAL C . 25509 1 248 . 1 1 63 63 VAL CA C 13 64.567 0.97 . 1 . . . A 63 VAL CA . 25509 1 249 . 1 1 63 63 VAL N N 15 115.745 0.56 . 1 . . . A 63 VAL N . 25509 1 250 . 1 1 64 64 SER H H 1 7.205 0.01 . 1 . . . A 64 SER H . 25509 1 251 . 1 1 64 64 SER C C 13 176.376 0.97 . 1 . . . A 64 SER C . 25509 1 252 . 1 1 64 64 SER CA C 13 60.925 0.97 . 1 . . . A 64 SER CA . 25509 1 253 . 1 1 64 64 SER N N 15 114.324 0.56 . 1 . . . A 64 SER N . 25509 1 254 . 1 1 65 65 LYS H H 1 7.294 0.01 . 1 . . . A 65 LYS H . 25509 1 255 . 1 1 65 65 LYS HA H 1 4.075 0.01 . 1 . . . A 65 LYS HA . 25509 1 256 . 1 1 65 65 LYS C C 13 178.346 0.97 . 1 . . . A 65 LYS C . 25509 1 257 . 1 1 65 65 LYS CA C 13 57.294 0.97 . 1 . . . A 65 LYS CA . 25509 1 258 . 1 1 65 65 LYS N N 15 121.823 0.56 . 1 . . . A 65 LYS N . 25509 1 259 . 1 1 66 66 TRP H H 1 7.834 0.01 . 1 . . . A 66 TRP H . 25509 1 260 . 1 1 66 66 TRP HA H 1 4.474 0.01 . 1 . . . A 66 TRP HA . 25509 1 261 . 1 1 66 66 TRP CA C 13 56.009 0.97 . 1 . . . A 66 TRP CA . 25509 1 262 . 1 1 66 66 TRP N N 15 120.291 0.56 . 1 . . . A 66 TRP N . 25509 1 263 . 1 1 69 69 HIS C C 13 176.475 0.97 . 1 . . . A 69 HIS C . 25509 1 264 . 1 1 69 69 HIS CA C 13 56.029 0.97 . 1 . . . A 69 HIS CA . 25509 1 265 . 1 1 70 70 ARG H H 1 8.527 0.01 . 1 . . . A 70 ARG H . 25509 1 266 . 1 1 70 70 ARG HA H 1 3.497 0.01 . 1 . . . A 70 ARG HA . 25509 1 267 . 1 1 70 70 ARG C C 13 175.806 0.97 . 1 . . . A 70 ARG C . 25509 1 268 . 1 1 70 70 ARG CA C 13 57.342 0.97 . 1 . . . A 70 ARG CA . 25509 1 269 . 1 1 70 70 ARG N N 15 121.733 0.56 . 1 . . . A 70 ARG N . 25509 1 270 . 1 1 71 71 ASP H H 1 8.599 0.01 . 1 . . . A 71 ASP H . 25509 1 271 . 1 1 71 71 ASP C C 13 175.213 0.97 . 1 . . . A 71 ASP C . 25509 1 272 . 1 1 71 71 ASP CA C 13 53.027 0.97 . 1 . . . A 71 ASP CA . 25509 1 273 . 1 1 71 71 ASP N N 15 116.800 0.56 . 1 . . . A 71 ASP N . 25509 1 274 . 1 1 72 72 GLN H H 1 7.629 0.01 . 1 . . . A 72 GLN H . 25509 1 275 . 1 1 72 72 GLN HA H 1 4.522 0.01 . 1 . . . A 72 GLN HA . 25509 1 276 . 1 1 72 72 GLN C C 13 172.972 0.97 . 1 . . . A 72 GLN C . 25509 1 277 . 1 1 72 72 GLN CA C 13 53.807 0.97 . 1 . . . A 72 GLN CA . 25509 1 278 . 1 1 72 72 GLN N N 15 119.761 0.56 . 1 . . . A 72 GLN N . 25509 1 279 . 1 1 73 73 GLU H H 1 7.984 0.01 . 1 . . . A 73 GLU H . 25509 1 280 . 1 1 73 73 GLU C C 13 176.011 0.97 . 1 . . . A 73 GLU C . 25509 1 281 . 1 1 73 73 GLU CA C 13 54.896 0.97 . 1 . . . A 73 GLU CA . 25509 1 282 . 1 1 73 73 GLU N N 15 117.994 0.56 . 1 . . . A 73 GLU N . 25509 1 283 . 1 1 74 74 TYR H H 1 8.860 0.01 . 1 . . . A 74 TYR H . 25509 1 284 . 1 1 74 74 TYR HA H 1 5.123 0.01 . 1 . . . A 74 TYR HA . 25509 1 285 . 1 1 74 74 TYR C C 13 174.675 0.97 . 1 . . . A 74 TYR C . 25509 1 286 . 1 1 74 74 TYR CA C 13 56.742 0.97 . 1 . . . A 74 TYR CA . 25509 1 287 . 1 1 74 74 TYR N N 15 120.098 0.56 . 1 . . . A 74 TYR N . 25509 1 288 . 1 1 75 75 GLU H H 1 9.321 0.01 . 1 . . . A 75 GLU H . 25509 1 289 . 1 1 75 75 GLU HA H 1 4.893 0.01 . 1 . . . A 75 GLU HA . 25509 1 290 . 1 1 75 75 GLU C C 13 175.614 0.97 . 1 . . . A 75 GLU C . 25509 1 291 . 1 1 75 75 GLU CA C 13 54.571 0.97 . 1 . . . A 75 GLU CA . 25509 1 292 . 1 1 75 75 GLU N N 15 123.539 0.56 . 1 . . . A 75 GLU N . 25509 1 293 . 1 1 76 76 VAL H H 1 9.399 0.01 . 1 . . . A 76 VAL H . 25509 1 294 . 1 1 76 76 VAL HA H 1 5.186 0.01 . 1 . . . A 76 VAL HA . 25509 1 295 . 1 1 76 76 VAL C C 13 175.004 0.97 . 1 . . . A 76 VAL C . 25509 1 296 . 1 1 76 76 VAL CA C 13 60.376 0.97 . 1 . . . A 76 VAL CA . 25509 1 297 . 1 1 76 76 VAL N N 15 128.647 0.56 . 1 . . . A 76 VAL N . 25509 1 298 . 1 1 77 77 THR H H 1 9.597 0.01 . 1 . . . A 77 THR H . 25509 1 299 . 1 1 77 77 THR HA H 1 5.223 0.01 . 1 . . . A 77 THR HA . 25509 1 300 . 1 1 77 77 THR C C 13 173.353 0.97 . 1 . . . A 77 THR C . 25509 1 301 . 1 1 77 77 THR CA C 13 61.442 0.97 . 1 . . . A 77 THR CA . 25509 1 302 . 1 1 77 77 THR N N 15 126.297 0.56 . 1 . . . A 77 THR N . 25509 1 303 . 1 1 78 78 TRP H H 1 9.173 0.01 . 1 . . . A 78 TRP H . 25509 1 304 . 1 1 78 78 TRP HA H 1 5.670 0.01 . 1 . . . A 78 TRP HA . 25509 1 305 . 1 1 78 78 TRP C C 13 174.723 0.97 . 1 . . . A 78 TRP C . 25509 1 306 . 1 1 78 78 TRP CA C 13 48.205 0.97 . 1 . . . A 78 TRP CA . 25509 1 307 . 1 1 78 78 TRP N N 15 125.914 0.56 . 1 . . . A 78 TRP N . 25509 1 308 . 1 1 79 79 TYR H H 1 9.322 0.01 . 1 . . . A 79 TYR H . 25509 1 309 . 1 1 79 79 TYR HA H 1 5.317 0.01 . 1 . . . A 79 TYR HA . 25509 1 310 . 1 1 79 79 TYR CA C 13 56.699 0.97 . 1 . . . A 79 TYR CA . 25509 1 311 . 1 1 79 79 TYR N N 15 120.962 0.56 . 1 . . . A 79 TYR N . 25509 1 312 . 1 1 80 80 ILE H H 1 9.634 0.01 . 1 . . . A 80 ILE H . 25509 1 313 . 1 1 80 80 ILE HA H 1 5.929 0.01 . 1 . . . A 80 ILE HA . 25509 1 314 . 1 1 80 80 ILE CA C 13 43.836 0.97 . 1 . . . A 80 ILE CA . 25509 1 315 . 1 1 80 80 ILE N N 15 125.201 0.56 . 1 . . . A 80 ILE N . 25509 1 316 . 1 1 86 86 THR HA H 1 3.629 0.01 . 1 . . . A 86 THR HA . 25509 1 317 . 1 1 86 86 THR C C 13 175.273 0.97 . 1 . . . A 86 THR C . 25509 1 318 . 1 1 86 86 THR CA C 13 60.845 0.97 . 1 . . . A 86 THR CA . 25509 1 319 . 1 1 87 87 LYS H H 1 7.728 0.01 . 1 . . . A 87 LYS H . 25509 1 320 . 1 1 87 87 LYS HA H 1 3.943 0.01 . 1 . . . A 87 LYS HA . 25509 1 321 . 1 1 87 87 LYS C C 13 178.969 0.97 . 1 . . . A 87 LYS C . 25509 1 322 . 1 1 87 87 LYS CA C 13 59.326 0.97 . 1 . . . A 87 LYS CA . 25509 1 323 . 1 1 87 87 LYS N N 15 121.904 0.56 . 1 . . . A 87 LYS N . 25509 1 324 . 1 1 88 88 CYS H H 1 8.717 0.01 . 1 . . . A 88 CYS H . 25509 1 325 . 1 1 88 88 CYS HA H 1 3.934 0.01 . 1 . . . A 88 CYS HA . 25509 1 326 . 1 1 88 88 CYS C C 13 178.168 0.97 . 1 . . . A 88 CYS C . 25509 1 327 . 1 1 88 88 CYS CA C 13 65.201 0.97 . 1 . . . A 88 CYS CA . 25509 1 328 . 1 1 88 88 CYS N N 15 121.877 0.56 . 1 . . . A 88 CYS N . 25509 1 329 . 1 1 89 89 ALA H H 1 9.009 0.01 . 1 . . . A 89 ALA H . 25509 1 330 . 1 1 89 89 ALA HA H 1 3.889 0.01 . 1 . . . A 89 ALA HA . 25509 1 331 . 1 1 89 89 ALA C C 13 179.782 0.97 . 1 . . . A 89 ALA C . 25509 1 332 . 1 1 89 89 ALA CA C 13 55.300 0.97 . 1 . . . A 89 ALA CA . 25509 1 333 . 1 1 89 89 ALA N N 15 120.872 0.56 . 1 . . . A 89 ALA N . 25509 1 334 . 1 1 90 90 ARG H H 1 7.912 0.01 . 1 . . . A 90 ARG H . 25509 1 335 . 1 1 90 90 ARG HA H 1 3.985 0.01 . 1 . . . A 90 ARG HA . 25509 1 336 . 1 1 90 90 ARG C C 13 179.333 0.97 . 1 . . . A 90 ARG C . 25509 1 337 . 1 1 90 90 ARG CA C 13 59.353 0.97 . 1 . . . A 90 ARG CA . 25509 1 338 . 1 1 90 90 ARG N N 15 117.797 0.56 . 1 . . . A 90 ARG N . 25509 1 339 . 1 1 91 91 ASP H H 1 8.413 0.01 . 1 . . . A 91 ASP H . 25509 1 340 . 1 1 91 91 ASP HA H 1 4.475 0.01 . 1 . . . A 91 ASP HA . 25509 1 341 . 1 1 91 91 ASP C C 13 180.593 0.97 . 1 . . . A 91 ASP C . 25509 1 342 . 1 1 91 91 ASP CA C 13 57.329 0.97 . 1 . . . A 91 ASP CA . 25509 1 343 . 1 1 91 91 ASP N N 15 121.892 0.56 . 1 . . . A 91 ASP N . 25509 1 344 . 1 1 92 92 MET H H 1 8.986 0.01 . 1 . . . A 92 MET H . 25509 1 345 . 1 1 92 92 MET HA H 1 4.453 0.01 . 1 . . . A 92 MET HA . 25509 1 346 . 1 1 92 92 MET C C 13 177.594 0.97 . 1 . . . A 92 MET C . 25509 1 347 . 1 1 92 92 MET CA C 13 56.255 0.97 . 1 . . . A 92 MET CA . 25509 1 348 . 1 1 92 92 MET N N 15 121.165 0.56 . 1 . . . A 92 MET N . 25509 1 349 . 1 1 93 93 ALA H H 1 8.090 0.01 . 1 . . . A 93 ALA H . 25509 1 350 . 1 1 93 93 ALA HA H 1 3.818 0.01 . 1 . . . A 93 ALA HA . 25509 1 351 . 1 1 93 93 ALA C C 13 179.351 0.97 . 1 . . . A 93 ALA C . 25509 1 352 . 1 1 93 93 ALA CA C 13 55.459 0.97 . 1 . . . A 93 ALA CA . 25509 1 353 . 1 1 93 93 ALA N N 15 124.315 0.56 . 1 . . . A 93 ALA N . 25509 1 354 . 1 1 94 94 THR H H 1 7.908 0.01 . 1 . . . A 94 THR H . 25509 1 355 . 1 1 94 94 THR HA H 1 3.854 0.01 . 1 . . . A 94 THR HA . 25509 1 356 . 1 1 94 94 THR C C 13 175.971 0.97 . 1 . . . A 94 THR C . 25509 1 357 . 1 1 94 94 THR CA C 13 66.140 0.97 . 1 . . . A 94 THR CA . 25509 1 358 . 1 1 94 94 THR N N 15 115.375 0.56 . 1 . . . A 94 THR N . 25509 1 359 . 1 1 95 95 PHE H H 1 7.845 0.01 . 1 . . . A 95 PHE H . 25509 1 360 . 1 1 95 95 PHE HA H 1 4.189 0.01 . 1 . . . A 95 PHE HA . 25509 1 361 . 1 1 95 95 PHE C C 13 178.456 0.97 . 1 . . . A 95 PHE C . 25509 1 362 . 1 1 95 95 PHE CA C 13 61.307 0.97 . 1 . . . A 95 PHE CA . 25509 1 363 . 1 1 95 95 PHE N N 15 121.559 0.56 . 1 . . . A 95 PHE N . 25509 1 364 . 1 1 96 96 LEU H H 1 8.493 0.01 . 1 . . . A 96 LEU H . 25509 1 365 . 1 1 96 96 LEU HA H 1 3.751 0.01 . 1 . . . A 96 LEU HA . 25509 1 366 . 1 1 96 96 LEU C C 13 179.846 0.97 . 1 . . . A 96 LEU C . 25509 1 367 . 1 1 96 96 LEU CA C 13 57.121 0.97 . 1 . . . A 96 LEU CA . 25509 1 368 . 1 1 96 96 LEU N N 15 120.614 0.56 . 1 . . . A 96 LEU N . 25509 1 369 . 1 1 97 97 GLN H H 1 7.971 0.01 . 1 . . . A 97 GLN H . 25509 1 370 . 1 1 97 97 GLN HA H 1 4.072 0.01 . 1 . . . A 97 GLN HA . 25509 1 371 . 1 1 97 97 GLN C C 13 177.940 0.97 . 1 . . . A 97 GLN C . 25509 1 372 . 1 1 97 97 GLN CA C 13 57.989 0.97 . 1 . . . A 97 GLN CA . 25509 1 373 . 1 1 97 97 GLN N N 15 118.135 0.56 . 1 . . . A 97 GLN N . 25509 1 374 . 1 1 98 98 GLU H H 1 7.473 0.01 . 1 . . . A 98 GLU H . 25509 1 375 . 1 1 98 98 GLU HA H 1 4.222 0.01 . 1 . . . A 98 GLU HA . 25509 1 376 . 1 1 98 98 GLU C C 13 176.364 0.97 . 1 . . . A 98 GLU C . 25509 1 377 . 1 1 98 98 GLU CA C 13 56.465 0.97 . 1 . . . A 98 GLU CA . 25509 1 378 . 1 1 98 98 GLU N N 15 115.676 0.56 . 1 . . . A 98 GLU N . 25509 1 379 . 1 1 99 99 ASN H H 1 7.520 0.01 . 1 . . . A 99 ASN H . 25509 1 380 . 1 1 99 99 ASN HA H 1 4.986 0.01 . 1 . . . A 99 ASN HA . 25509 1 381 . 1 1 99 99 ASN C C 13 174.155 0.97 . 1 . . . A 99 ASN C . 25509 1 382 . 1 1 99 99 ASN CA C 13 51.958 0.97 . 1 . . . A 99 ASN CA . 25509 1 383 . 1 1 99 99 ASN N N 15 121.312 0.56 . 1 . . . A 99 ASN N . 25509 1 384 . 1 1 100 100 THR H H 1 7.985 0.01 . 1 . . . A 100 THR H . 25509 1 385 . 1 1 100 100 THR HA H 1 4.438 0.01 . 1 . . . A 100 THR HA . 25509 1 386 . 1 1 100 100 THR C C 13 174.600 0.97 . 1 . . . A 100 THR C . 25509 1 387 . 1 1 100 100 THR CA C 13 63.613 0.97 . 1 . . . A 100 THR CA . 25509 1 388 . 1 1 100 100 THR N N 15 111.032 0.56 . 1 . . . A 100 THR N . 25509 1 389 . 1 1 101 101 HIS C C 13 173.419 0.97 . 1 . . . A 101 HIS C . 25509 1 390 . 1 1 101 101 HIS CA C 13 56.546 0.97 . 1 . . . A 101 HIS CA . 25509 1 391 . 1 1 102 102 VAL H H 1 7.561 0.01 . 1 . . . A 102 VAL H . 25509 1 392 . 1 1 102 102 VAL HA H 1 4.643 0.01 . 1 . . . A 102 VAL HA . 25509 1 393 . 1 1 102 102 VAL C C 13 174.248 0.97 . 1 . . . A 102 VAL C . 25509 1 394 . 1 1 102 102 VAL CA C 13 61.015 0.97 . 1 . . . A 102 VAL CA . 25509 1 395 . 1 1 102 102 VAL N N 15 123.373 0.56 . 1 . . . A 102 VAL N . 25509 1 396 . 1 1 103 103 THR H H 1 8.370 0.01 . 1 . . . A 103 THR H . 25509 1 397 . 1 1 103 103 THR HA H 1 4.702 0.01 . 1 . . . A 103 THR HA . 25509 1 398 . 1 1 103 103 THR C C 13 173.198 0.97 . 1 . . . A 103 THR C . 25509 1 399 . 1 1 103 103 THR CA C 13 59.956 0.97 . 1 . . . A 103 THR CA . 25509 1 400 . 1 1 103 103 THR N N 15 119.261 0.56 . 1 . . . A 103 THR N . 25509 1 401 . 1 1 104 104 LEU H H 1 9.373 0.01 . 1 . . . A 104 LEU H . 25509 1 402 . 1 1 104 104 LEU HA H 1 5.123 0.01 . 1 . . . A 104 LEU HA . 25509 1 403 . 1 1 104 104 LEU C C 13 175.009 0.97 . 1 . . . A 104 LEU C . 25509 1 404 . 1 1 104 104 LEU CA C 13 53.231 0.97 . 1 . . . A 104 LEU CA . 25509 1 405 . 1 1 104 104 LEU N N 15 128.085 0.56 . 1 . . . A 104 LEU N . 25509 1 406 . 1 1 105 105 THR H H 1 8.561 0.01 . 1 . . . A 105 THR H . 25509 1 407 . 1 1 105 105 THR HA H 1 4.560 0.01 . 1 . . . A 105 THR HA . 25509 1 408 . 1 1 105 105 THR C C 13 171.873 0.97 . 1 . . . A 105 THR C . 25509 1 409 . 1 1 105 105 THR CA C 13 61.546 0.97 . 1 . . . A 105 THR CA . 25509 1 410 . 1 1 105 105 THR N N 15 126.064 0.56 . 1 . . . A 105 THR N . 25509 1 411 . 1 1 106 106 ILE H H 1 9.190 0.01 . 1 . . . A 106 ILE H . 25509 1 412 . 1 1 106 106 ILE HA H 1 4.207 0.01 . 1 . . . A 106 ILE HA . 25509 1 413 . 1 1 106 106 ILE C C 13 172.536 0.97 . 1 . . . A 106 ILE C . 25509 1 414 . 1 1 106 106 ILE CA C 13 59.887 0.97 . 1 . . . A 106 ILE CA . 25509 1 415 . 1 1 106 106 ILE N N 15 125.679 0.56 . 1 . . . A 106 ILE N . 25509 1 416 . 1 1 107 107 PHE H H 1 9.135 0.01 . 1 . . . A 107 PHE H . 25509 1 417 . 1 1 107 107 PHE HA H 1 5.256 0.01 . 1 . . . A 107 PHE HA . 25509 1 418 . 1 1 107 107 PHE C C 13 175.694 0.97 . 1 . . . A 107 PHE C . 25509 1 419 . 1 1 107 107 PHE CA C 13 56.342 0.97 . 1 . . . A 107 PHE CA . 25509 1 420 . 1 1 107 107 PHE N N 15 126.337 0.56 . 1 . . . A 107 PHE N . 25509 1 421 . 1 1 108 108 VAL H H 1 8.936 0.01 . 1 . . . A 108 VAL H . 25509 1 422 . 1 1 108 108 VAL HA H 1 5.020 0.01 . 1 . . . A 108 VAL HA . 25509 1 423 . 1 1 108 108 VAL C C 13 176.539 0.97 . 1 . . . A 108 VAL C . 25509 1 424 . 1 1 108 108 VAL CA C 13 58.498 0.97 . 1 . . . A 108 VAL CA . 25509 1 425 . 1 1 108 108 VAL N N 15 118.789 0.56 . 1 . . . A 108 VAL N . 25509 1 426 . 1 1 109 109 ALA H H 1 8.509 0.01 . 1 . . . A 109 ALA H . 25509 1 427 . 1 1 109 109 ALA HA H 1 4.524 0.01 . 1 . . . A 109 ALA HA . 25509 1 428 . 1 1 109 109 ALA C C 13 175.933 0.97 . 1 . . . A 109 ALA C . 25509 1 429 . 1 1 109 109 ALA CA C 13 55.038 0.97 . 1 . . . A 109 ALA CA . 25509 1 430 . 1 1 109 109 ALA N N 15 129.108 0.56 . 1 . . . A 109 ALA N . 25509 1 431 . 1 1 110 110 ARG H H 1 6.677 0.01 . 1 . . . A 110 ARG H . 25509 1 432 . 1 1 110 110 ARG HA H 1 4.505 0.01 . 1 . . . A 110 ARG HA . 25509 1 433 . 1 1 110 110 ARG C C 13 175.120 0.97 . 1 . . . A 110 ARG C . 25509 1 434 . 1 1 110 110 ARG CA C 13 54.555 0.97 . 1 . . . A 110 ARG CA . 25509 1 435 . 1 1 110 110 ARG N N 15 110.165 0.56 . 1 . . . A 110 ARG N . 25509 1 436 . 1 1 111 111 LEU H H 1 7.031 0.01 . 1 . . . A 111 LEU H . 25509 1 437 . 1 1 111 111 LEU HA H 1 4.515 0.01 . 1 . . . A 111 LEU HA . 25509 1 438 . 1 1 111 111 LEU CA C 13 53.198 0.97 . 1 . . . A 111 LEU CA . 25509 1 439 . 1 1 111 111 LEU N N 15 119.767 0.56 . 1 . . . A 111 LEU N . 25509 1 440 . 1 1 117 117 PRO C C 13 178.666 0.97 . 1 . . . A 117 PRO C . 25509 1 441 . 1 1 117 117 PRO CA C 13 64.996 0.97 . 1 . . . A 117 PRO CA . 25509 1 442 . 1 1 118 118 ASP H H 1 8.215 0.01 . 1 . . . A 118 ASP H . 25509 1 443 . 1 1 118 118 ASP HA H 1 4.434 0.01 . 1 . . . A 118 ASP HA . 25509 1 444 . 1 1 118 118 ASP C C 13 178.263 0.97 . 1 . . . A 118 ASP C . 25509 1 445 . 1 1 118 118 ASP CA C 13 56.740 0.97 . 1 . . . A 118 ASP CA . 25509 1 446 . 1 1 118 118 ASP N N 15 118.659 0.56 . 1 . . . A 118 ASP N . 25509 1 447 . 1 1 119 119 TYR H H 1 7.994 0.01 . 1 . . . A 119 TYR H . 25509 1 448 . 1 1 119 119 TYR HA H 1 4.204 0.01 . 1 . . . A 119 TYR HA . 25509 1 449 . 1 1 119 119 TYR C C 13 177.538 0.97 . 1 . . . A 119 TYR C . 25509 1 450 . 1 1 119 119 TYR CA C 13 60.942 0.97 . 1 . . . A 119 TYR CA . 25509 1 451 . 1 1 119 119 TYR N N 15 122.818 0.56 . 1 . . . A 119 TYR N . 25509 1 452 . 1 1 120 120 GLN H H 1 7.898 0.01 . 1 . . . A 120 GLN H . 25509 1 453 . 1 1 120 120 GLN HA H 1 3.508 0.01 . 1 . . . A 120 GLN HA . 25509 1 454 . 1 1 120 120 GLN C C 13 177.702 0.97 . 1 . . . A 120 GLN C . 25509 1 455 . 1 1 120 120 GLN CA C 13 58.986 0.97 . 1 . . . A 120 GLN CA . 25509 1 456 . 1 1 120 120 GLN N N 15 117.143 0.56 . 1 . . . A 120 GLN N . 25509 1 457 . 1 1 121 121 GLU H H 1 7.829 0.01 . 1 . . . A 121 GLU H . 25509 1 458 . 1 1 121 121 GLU HA H 1 3.891 0.01 . 1 . . . A 121 GLU HA . 25509 1 459 . 1 1 121 121 GLU C C 13 178.815 0.97 . 1 . . . A 121 GLU C . 25509 1 460 . 1 1 121 121 GLU CA C 13 58.603 0.97 . 1 . . . A 121 GLU CA . 25509 1 461 . 1 1 121 121 GLU N N 15 117.707 0.56 . 1 . . . A 121 GLU N . 25509 1 462 . 1 1 122 122 ALA H H 1 7.881 0.01 . 1 . . . A 122 ALA H . 25509 1 463 . 1 1 122 122 ALA HA H 1 3.900 0.01 . 1 . . . A 122 ALA HA . 25509 1 464 . 1 1 122 122 ALA C C 13 180.296 0.97 . 1 . . . A 122 ALA C . 25509 1 465 . 1 1 122 122 ALA CA C 13 54.949 0.97 . 1 . . . A 122 ALA CA . 25509 1 466 . 1 1 122 122 ALA N N 15 123.710 0.56 . 1 . . . A 122 ALA N . 25509 1 467 . 1 1 123 123 LEU H H 1 8.073 0.01 . 1 . . . A 123 LEU H . 25509 1 468 . 1 1 123 123 LEU HA H 1 3.791 0.01 . 1 . . . A 123 LEU HA . 25509 1 469 . 1 1 123 123 LEU C C 13 179.075 0.97 . 1 . . . A 123 LEU C . 25509 1 470 . 1 1 123 123 LEU CA C 13 57.537 0.97 . 1 . . . A 123 LEU CA . 25509 1 471 . 1 1 123 123 LEU N N 15 119.307 0.56 . 1 . . . A 123 LEU N . 25509 1 472 . 1 1 124 124 ARG H H 1 8.074 0.01 . 1 . . . A 124 ARG H . 25509 1 473 . 1 1 124 124 ARG HA H 1 3.832 0.01 . 1 . . . A 124 ARG HA . 25509 1 474 . 1 1 124 124 ARG C C 13 179.745 0.97 . 1 . . . A 124 ARG C . 25509 1 475 . 1 1 124 124 ARG CA C 13 60.155 0.97 . 1 . . . A 124 ARG CA . 25509 1 476 . 1 1 124 124 ARG N N 15 118.146 0.56 . 1 . . . A 124 ARG N . 25509 1 477 . 1 1 125 125 SER H H 1 8.471 0.01 . 1 . . . A 125 SER H . 25509 1 478 . 1 1 125 125 SER HA H 1 4.151 0.01 . 1 . . . A 125 SER HA . 25509 1 479 . 1 1 125 125 SER C C 13 176.389 0.97 . 1 . . . A 125 SER C . 25509 1 480 . 1 1 125 125 SER CA C 13 54.752 0.97 . 1 . . . A 125 SER CA . 25509 1 481 . 1 1 125 125 SER N N 15 117.399 0.56 . 1 . . . A 125 SER N . 25509 1 482 . 1 1 126 126 LEU H H 1 7.621 0.01 . 1 . . . A 126 LEU H . 25509 1 483 . 1 1 126 126 LEU HA H 1 3.970 0.01 . 1 . . . A 126 LEU HA . 25509 1 484 . 1 1 126 126 LEU C C 13 177.721 0.97 . 1 . . . A 126 LEU C . 25509 1 485 . 1 1 126 126 LEU CA C 13 57.423 0.97 . 1 . . . A 126 LEU CA . 25509 1 486 . 1 1 126 126 LEU N N 15 125.924 0.56 . 1 . . . A 126 LEU N . 25509 1 487 . 1 1 127 127 ALA H H 1 7.973 0.01 . 1 . . . A 127 ALA H . 25509 1 488 . 1 1 127 127 ALA HA H 1 4.676 0.01 . 1 . . . A 127 ALA HA . 25509 1 489 . 1 1 127 127 ALA C C 13 182.614 0.97 . 1 . . . A 127 ALA C . 25509 1 490 . 1 1 127 127 ALA CA C 13 53.974 0.97 . 1 . . . A 127 ALA CA . 25509 1 491 . 1 1 127 127 ALA N N 15 122.932 0.56 . 1 . . . A 127 ALA N . 25509 1 492 . 1 1 128 128 GLN H H 1 8.690 0.01 . 1 . . . A 128 GLN H . 25509 1 493 . 1 1 128 128 GLN HA H 1 4.029 0.01 . 1 . . . A 128 GLN HA . 25509 1 494 . 1 1 128 128 GLN C C 13 177.613 0.97 . 1 . . . A 128 GLN C . 25509 1 495 . 1 1 128 128 GLN CA C 13 58.051 0.97 . 1 . . . A 128 GLN CA . 25509 1 496 . 1 1 128 128 GLN N N 15 120.408 0.56 . 1 . . . A 128 GLN N . 25509 1 497 . 1 1 129 129 ALA H H 1 7.542 0.01 . 1 . . . A 129 ALA H . 25509 1 498 . 1 1 129 129 ALA HA H 1 4.283 0.01 . 1 . . . A 129 ALA HA . 25509 1 499 . 1 1 129 129 ALA C C 13 177.019 0.97 . 1 . . . A 129 ALA C . 25509 1 500 . 1 1 129 129 ALA CA C 13 52.171 0.97 . 1 . . . A 129 ALA CA . 25509 1 501 . 1 1 129 129 ALA N N 15 120.391 0.56 . 1 . . . A 129 ALA N . 25509 1 502 . 1 1 130 130 GLY H H 1 7.760 0.01 . 1 . . . A 130 GLY H . 25509 1 503 . 1 1 130 130 GLY HA2 H 1 3.607 0.01 . 1 . . . A 130 GLY HA2 . 25509 1 504 . 1 1 130 130 GLY HA3 H 1 4.383 0.01 . 1 . . . A 130 GLY HA3 . 25509 1 505 . 1 1 130 130 GLY C C 13 175.291 0.97 . 1 . . . A 130 GLY C . 25509 1 506 . 1 1 130 130 GLY CA C 13 44.275 0.97 . 1 . . . A 130 GLY CA . 25509 1 507 . 1 1 130 130 GLY N N 15 104.533 0.56 . 1 . . . A 130 GLY N . 25509 1 508 . 1 1 131 131 ALA H H 1 7.543 0.01 . 1 . . . A 131 ALA H . 25509 1 509 . 1 1 131 131 ALA HA H 1 4.587 0.01 . 1 . . . A 131 ALA HA . 25509 1 510 . 1 1 131 131 ALA C C 13 177.045 0.97 . 1 . . . A 131 ALA C . 25509 1 511 . 1 1 131 131 ALA CA C 13 51.614 0.97 . 1 . . . A 131 ALA CA . 25509 1 512 . 1 1 131 131 ALA N N 15 124.759 0.56 . 1 . . . A 131 ALA N . 25509 1 513 . 1 1 132 132 THR H H 1 7.983 0.01 . 1 . . . A 132 THR H . 25509 1 514 . 1 1 132 132 THR HA H 1 4.293 0.01 . 1 . . . A 132 THR HA . 25509 1 515 . 1 1 132 132 THR C C 13 172.940 0.97 . 1 . . . A 132 THR C . 25509 1 516 . 1 1 132 132 THR CA C 13 62.285 0.97 . 1 . . . A 132 THR CA . 25509 1 517 . 1 1 132 132 THR N N 15 120.565 0.56 . 1 . . . A 132 THR N . 25509 1 518 . 1 1 133 133 ILE H H 1 8.641 0.01 . 1 . . . A 133 ILE H . 25509 1 519 . 1 1 133 133 ILE HA H 1 4.705 0.01 . 1 . . . A 133 ILE HA . 25509 1 520 . 1 1 133 133 ILE C C 13 173.707 0.97 . 1 . . . A 133 ILE C . 25509 1 521 . 1 1 133 133 ILE CA C 13 59.898 0.97 . 1 . . . A 133 ILE CA . 25509 1 522 . 1 1 133 133 ILE N N 15 128.874 0.56 . 1 . . . A 133 ILE N . 25509 1 523 . 1 1 134 134 LYS H H 1 8.878 0.01 . 1 . . . A 134 LYS H . 25509 1 524 . 1 1 134 134 LYS HA H 1 4.490 0.01 . 1 . . . A 134 LYS HA . 25509 1 525 . 1 1 134 134 LYS C C 13 174.736 0.97 . 1 . . . A 134 LYS C . 25509 1 526 . 1 1 134 134 LYS CA C 13 53.906 0.97 . 1 . . . A 134 LYS CA . 25509 1 527 . 1 1 134 134 LYS N N 15 125.904 0.56 . 1 . . . A 134 LYS N . 25509 1 528 . 1 1 135 135 ILE H H 1 8.601 0.01 . 1 . . . A 135 ILE H . 25509 1 529 . 1 1 135 135 ILE HA H 1 4.644 0.01 . 1 . . . A 135 ILE HA . 25509 1 530 . 1 1 135 135 ILE C C 13 177.563 0.97 . 1 . . . A 135 ILE C . 25509 1 531 . 1 1 135 135 ILE CA C 13 56.834 0.97 . 1 . . . A 135 ILE CA . 25509 1 532 . 1 1 135 135 ILE N N 15 121.444 0.56 . 1 . . . A 135 ILE N . 25509 1 533 . 1 1 136 136 MET H H 1 8.550 0.01 . 1 . . . A 136 MET H . 25509 1 534 . 1 1 136 136 MET HA H 1 3.741 0.01 . 1 . . . A 136 MET HA . 25509 1 535 . 1 1 136 136 MET C C 13 174.070 0.97 . 1 . . . A 136 MET C . 25509 1 536 . 1 1 136 136 MET CA C 13 58.298 0.97 . 1 . . . A 136 MET CA . 25509 1 537 . 1 1 136 136 MET N N 15 124.557 0.56 . 1 . . . A 136 MET N . 25509 1 538 . 1 1 137 137 ASN H H 1 9.480 0.01 . 1 . . . A 137 ASN H . 25509 1 539 . 1 1 137 137 ASN HA H 1 5.008 0.01 . 1 . . . A 137 ASN HA . 25509 1 540 . 1 1 137 137 ASN C C 13 174.733 0.97 . 1 . . . A 137 ASN C . 25509 1 541 . 1 1 137 137 ASN CA C 13 50.894 0.97 . 1 . . . A 137 ASN CA . 25509 1 542 . 1 1 137 137 ASN N N 15 126.678 0.56 . 1 . . . A 137 ASN N . 25509 1 543 . 1 1 138 138 TYR H H 1 9.914 0.01 . 1 . . . A 138 TYR H . 25509 1 544 . 1 1 138 138 TYR HA H 1 3.841 0.01 . 1 . . . A 138 TYR HA . 25509 1 545 . 1 1 138 138 TYR C C 13 176.154 0.97 . 1 . . . A 138 TYR C . 25509 1 546 . 1 1 138 138 TYR CA C 13 63.811 0.97 . 1 . . . A 138 TYR CA . 25509 1 547 . 1 1 138 138 TYR N N 15 123.587 0.56 . 1 . . . A 138 TYR N . 25509 1 548 . 1 1 139 139 ASP H H 1 8.976 0.01 . 1 . . . A 139 ASP H . 25509 1 549 . 1 1 139 139 ASP HA H 1 4.116 0.01 . 1 . . . A 139 ASP HA . 25509 1 550 . 1 1 139 139 ASP C C 13 179.067 0.97 . 1 . . . A 139 ASP C . 25509 1 551 . 1 1 139 139 ASP CA C 13 57.491 0.97 . 1 . . . A 139 ASP CA . 25509 1 552 . 1 1 139 139 ASP N N 15 116.024 0.56 . 1 . . . A 139 ASP N . 25509 1 553 . 1 1 140 140 GLU H H 1 7.540 0.01 . 1 . . . A 140 GLU H . 25509 1 554 . 1 1 140 140 GLU HA H 1 3.826 0.01 . 1 . . . A 140 GLU HA . 25509 1 555 . 1 1 140 140 GLU C C 13 178.692 0.97 . 1 . . . A 140 GLU C . 25509 1 556 . 1 1 140 140 GLU CA C 13 60.600 0.97 . 1 . . . A 140 GLU CA . 25509 1 557 . 1 1 140 140 GLU N N 15 118.087 0.56 . 1 . . . A 140 GLU N . 25509 1 558 . 1 1 141 141 PHE H H 1 8.032 0.01 . 1 . . . A 141 PHE H . 25509 1 559 . 1 1 141 141 PHE HA H 1 3.788 0.01 . 1 . . . A 141 PHE HA . 25509 1 560 . 1 1 141 141 PHE C C 13 176.881 0.97 . 1 . . . A 141 PHE C . 25509 1 561 . 1 1 141 141 PHE CA C 13 62.703 0.97 . 1 . . . A 141 PHE CA . 25509 1 562 . 1 1 141 141 PHE N N 15 119.608 0.56 . 1 . . . A 141 PHE N . 25509 1 563 . 1 1 142 142 GLN H H 1 8.223 0.01 . 1 . . . A 142 GLN H . 25509 1 564 . 1 1 142 142 GLN HA H 1 4.021 0.01 . 1 . . . A 142 GLN HA . 25509 1 565 . 1 1 142 142 GLN C C 13 177.945 0.97 . 1 . . . A 142 GLN C . 25509 1 566 . 1 1 142 142 GLN CA C 13 58.779 0.97 . 1 . . . A 142 GLN CA . 25509 1 567 . 1 1 142 142 GLN N N 15 118.759 0.56 . 1 . . . A 142 GLN N . 25509 1 568 . 1 1 143 143 HIS H H 1 7.924 0.01 . 1 . . . A 143 HIS H . 25509 1 569 . 1 1 143 143 HIS HA H 1 3.978 0.01 . 1 . . . A 143 HIS HA . 25509 1 570 . 1 1 143 143 HIS C C 13 177.147 0.97 . 1 . . . A 143 HIS C . 25509 1 571 . 1 1 143 143 HIS CA C 13 59.367 0.97 . 1 . . . A 143 HIS CA . 25509 1 572 . 1 1 143 143 HIS N N 15 120.774 0.56 . 1 . . . A 143 HIS N . 25509 1 573 . 1 1 144 144 CYS H H 1 7.892 0.01 . 1 . . . A 144 CYS H . 25509 1 574 . 1 1 144 144 CYS HA H 1 3.838 0.01 . 1 . . . A 144 CYS HA . 25509 1 575 . 1 1 144 144 CYS C C 13 176.233 0.97 . 1 . . . A 144 CYS C . 25509 1 576 . 1 1 144 144 CYS CA C 13 62.852 0.97 . 1 . . . A 144 CYS CA . 25509 1 577 . 1 1 144 144 CYS N N 15 117.600 0.56 . 1 . . . A 144 CYS N . 25509 1 578 . 1 1 145 145 TRP H H 1 8.201 0.01 . 1 . . . A 145 TRP H . 25509 1 579 . 1 1 145 145 TRP HA H 1 3.269 0.01 . 1 . . . A 145 TRP HA . 25509 1 580 . 1 1 145 145 TRP C C 13 177.085 0.97 . 1 . . . A 145 TRP C . 25509 1 581 . 1 1 145 145 TRP CA C 13 59.453 0.97 . 1 . . . A 145 TRP CA . 25509 1 582 . 1 1 145 145 TRP N N 15 120.806 0.56 . 1 . . . A 145 TRP N . 25509 1 583 . 1 1 146 146 SER H H 1 8.032 0.01 . 1 . . . A 146 SER H . 25509 1 584 . 1 1 146 146 SER C C 13 176.199 0.97 . 1 . . . A 146 SER C . 25509 1 585 . 1 1 146 146 SER CA C 13 60.827 0.97 . 1 . . . A 146 SER CA . 25509 1 586 . 1 1 146 146 SER N N 15 111.555 0.56 . 1 . . . A 146 SER N . 25509 1 587 . 1 1 147 147 LYS H H 1 7.684 0.01 . 1 . . . A 147 LYS H . 25509 1 588 . 1 1 147 147 LYS HA H 1 3.974 0.01 . 1 . . . A 147 LYS HA . 25509 1 589 . 1 1 147 147 LYS C C 13 177.448 0.97 . 1 . . . A 147 LYS C . 25509 1 590 . 1 1 147 147 LYS CA C 13 55.464 0.97 . 1 . . . A 147 LYS CA . 25509 1 591 . 1 1 147 147 LYS N N 15 115.563 0.56 . 1 . . . A 147 LYS N . 25509 1 592 . 1 1 148 148 PHE H H 1 8.134 0.01 . 1 . . . A 148 PHE H . 25509 1 593 . 1 1 148 148 PHE HA H 1 4.477 0.01 . 1 . . . A 148 PHE HA . 25509 1 594 . 1 1 148 148 PHE C C 13 174.293 0.97 . 1 . . . A 148 PHE C . 25509 1 595 . 1 1 148 148 PHE CA C 13 58.180 0.97 . 1 . . . A 148 PHE CA . 25509 1 596 . 1 1 148 148 PHE N N 15 113.648 0.56 . 1 . . . A 148 PHE N . 25509 1 597 . 1 1 149 149 VAL H H 1 6.787 0.01 . 1 . . . A 149 VAL H . 25509 1 598 . 1 1 149 149 VAL HA H 1 4.109 0.01 . 1 . . . A 149 VAL HA . 25509 1 599 . 1 1 149 149 VAL C C 13 175.690 0.97 . 1 . . . A 149 VAL C . 25509 1 600 . 1 1 149 149 VAL CA C 13 60.309 0.97 . 1 . . . A 149 VAL CA . 25509 1 601 . 1 1 149 149 VAL N N 15 119.139 0.56 . 1 . . . A 149 VAL N . 25509 1 602 . 1 1 150 150 TYR H H 1 8.552 0.01 . 1 . . . A 150 TYR H . 25509 1 603 . 1 1 150 150 TYR HA H 1 4.564 0.01 . 1 . . . A 150 TYR HA . 25509 1 604 . 1 1 150 150 TYR C C 13 173.826 0.97 . 1 . . . A 150 TYR C . 25509 1 605 . 1 1 150 150 TYR CA C 13 55.580 0.97 . 1 . . . A 150 TYR CA . 25509 1 606 . 1 1 150 150 TYR N N 15 129.042 0.56 . 1 . . . A 150 TYR N . 25509 1 607 . 1 1 151 151 SER H H 1 7.787 0.01 . 1 . . . A 151 SER H . 25509 1 608 . 1 1 151 151 SER HA H 1 4.585 0.01 . 1 . . . A 151 SER HA . 25509 1 609 . 1 1 151 151 SER C C 13 176.209 0.97 . 1 . . . A 151 SER C . 25509 1 610 . 1 1 151 151 SER CA C 13 57.497 0.97 . 1 . . . A 151 SER CA . 25509 1 611 . 1 1 151 151 SER N N 15 119.931 0.56 . 1 . . . A 151 SER N . 25509 1 612 . 1 1 152 152 GLN H H 1 8.386 0.01 . 1 . . . A 152 GLN H . 25509 1 613 . 1 1 152 152 GLN HA H 1 3.715 0.01 . 1 . . . A 152 GLN HA . 25509 1 614 . 1 1 152 152 GLN C C 13 175.787 0.97 . 1 . . . A 152 GLN C . 25509 1 615 . 1 1 152 152 GLN CA C 13 56.476 0.97 . 1 . . . A 152 GLN CA . 25509 1 616 . 1 1 152 152 GLN N N 15 120.381 0.56 . 1 . . . A 152 GLN N . 25509 1 617 . 1 1 153 153 GLY H H 1 8.047 0.01 . 1 . . . A 153 GLY H . 25509 1 618 . 1 1 153 153 GLY HA2 H 1 3.531 0.01 . 1 . . . A 153 GLY HA2 . 25509 1 619 . 1 1 153 153 GLY HA3 H 1 4.043 0.01 . 1 . . . A 153 GLY HA3 . 25509 1 620 . 1 1 153 153 GLY C C 13 174.309 0.97 . 1 . . . A 153 GLY C . 25509 1 621 . 1 1 153 153 GLY CA C 13 44.902 0.97 . 1 . . . A 153 GLY CA . 25509 1 622 . 1 1 153 153 GLY N N 15 106.086 0.56 . 1 . . . A 153 GLY N . 25509 1 623 . 1 1 154 154 ALA H H 1 7.562 0.01 . 1 . . . A 154 ALA H . 25509 1 624 . 1 1 154 154 ALA HA H 1 4.582 0.01 . 1 . . . A 154 ALA HA . 25509 1 625 . 1 1 154 154 ALA C C 13 176.022 0.97 . 1 . . . A 154 ALA C . 25509 1 626 . 1 1 154 154 ALA CA C 13 49.894 0.97 . 1 . . . A 154 ALA CA . 25509 1 627 . 1 1 154 154 ALA N N 15 125.790 0.56 . 1 . . . A 154 ALA N . 25509 1 628 . 1 1 155 155 PRO C C 13 175.578 0.97 . 1 . . . A 155 PRO C . 25509 1 629 . 1 1 155 155 PRO CA C 13 61.661 0.97 . 1 . . . A 155 PRO CA . 25509 1 630 . 1 1 156 156 PHE H H 1 8.288 0.01 . 1 . . . A 156 PHE H . 25509 1 631 . 1 1 156 156 PHE HA H 1 2.346 0.01 . 1 . . . A 156 PHE HA . 25509 1 632 . 1 1 156 156 PHE C C 13 174.254 0.97 . 1 . . . A 156 PHE C . 25509 1 633 . 1 1 156 156 PHE CA C 13 56.414 0.97 . 1 . . . A 156 PHE CA . 25509 1 634 . 1 1 156 156 PHE N N 15 121.116 0.56 . 1 . . . A 156 PHE N . 25509 1 635 . 1 1 157 157 GLN H H 1 7.205 0.01 . 1 . . . A 157 GLN H . 25509 1 636 . 1 1 157 157 GLN HA H 1 4.306 0.01 . 1 . . . A 157 GLN HA . 25509 1 637 . 1 1 157 157 GLN C C 13 171.628 0.97 . 1 . . . A 157 GLN C . 25509 1 638 . 1 1 157 157 GLN CA C 13 50.515 0.97 . 1 . . . A 157 GLN CA . 25509 1 639 . 1 1 157 157 GLN N N 15 129.600 0.56 . 1 . . . A 157 GLN N . 25509 1 640 . 1 1 158 158 PRO C C 13 175.224 0.97 . 1 . . . A 158 PRO C . 25509 1 641 . 1 1 158 158 PRO CA C 13 61.723 0.97 . 1 . . . A 158 PRO CA . 25509 1 642 . 1 1 159 159 TRP H H 1 5.628 0.01 . 1 . . . A 159 TRP H . 25509 1 643 . 1 1 159 159 TRP HA H 1 4.698 0.01 . 1 . . . A 159 TRP HA . 25509 1 644 . 1 1 159 159 TRP C C 13 175.906 0.97 . 1 . . . A 159 TRP C . 25509 1 645 . 1 1 159 159 TRP CA C 13 54.528 0.97 . 1 . . . A 159 TRP CA . 25509 1 646 . 1 1 159 159 TRP N N 15 117.795 0.56 . 1 . . . A 159 TRP N . 25509 1 647 . 1 1 160 160 ASP H H 1 8.766 0.01 . 1 . . . A 160 ASP H . 25509 1 648 . 1 1 160 160 ASP HA H 1 4.323 0.01 . 1 . . . A 160 ASP HA . 25509 1 649 . 1 1 160 160 ASP C C 13 177.598 0.97 . 1 . . . A 160 ASP C . 25509 1 650 . 1 1 160 160 ASP CA C 13 55.395 0.97 . 1 . . . A 160 ASP CA . 25509 1 651 . 1 1 160 160 ASP N N 15 122.363 0.56 . 1 . . . A 160 ASP N . 25509 1 652 . 1 1 161 161 GLY H H 1 8.887 0.01 . 1 . . . A 161 GLY H . 25509 1 653 . 1 1 161 161 GLY HA2 H 1 3.902 0.01 . 1 . . . A 161 GLY HA2 . 25509 1 654 . 1 1 161 161 GLY HA3 H 1 4.072 0.01 . 1 . . . A 161 GLY HA3 . 25509 1 655 . 1 1 161 161 GLY C C 13 173.833 0.97 . 1 . . . A 161 GLY C . 25509 1 656 . 1 1 161 161 GLY CA C 13 45.382 0.97 . 1 . . . A 161 GLY CA . 25509 1 657 . 1 1 161 161 GLY N N 15 111.982 0.56 . 1 . . . A 161 GLY N . 25509 1 658 . 1 1 162 162 LEU H H 1 7.078 0.01 . 1 . . . A 162 LEU H . 25509 1 659 . 1 1 162 162 LEU HA H 1 4.272 0.01 . 1 . . . A 162 LEU HA . 25509 1 660 . 1 1 162 162 LEU C C 13 179.345 0.97 . 1 . . . A 162 LEU C . 25509 1 661 . 1 1 162 162 LEU CA C 13 60.554 0.97 . 1 . . . A 162 LEU CA . 25509 1 662 . 1 1 162 162 LEU N N 15 121.971 0.56 . 1 . . . A 162 LEU N . 25509 1 663 . 1 1 163 163 ASP H H 1 8.679 0.01 . 1 . . . A 163 ASP H . 25509 1 664 . 1 1 163 163 ASP HA H 1 4.459 0.01 . 1 . . . A 163 ASP HA . 25509 1 665 . 1 1 163 163 ASP C C 13 178.182 0.97 . 1 . . . A 163 ASP C . 25509 1 666 . 1 1 163 163 ASP CA C 13 57.108 0.97 . 1 . . . A 163 ASP CA . 25509 1 667 . 1 1 163 163 ASP N N 15 118.366 0.56 . 1 . . . A 163 ASP N . 25509 1 668 . 1 1 164 164 GLU H H 1 8.374 0.01 . 1 . . . A 164 GLU H . 25509 1 669 . 1 1 164 164 GLU HA H 1 3.935 0.01 . 1 . . . A 164 GLU HA . 25509 1 670 . 1 1 164 164 GLU C C 13 180.355 0.97 . 1 . . . A 164 GLU C . 25509 1 671 . 1 1 164 164 GLU CA C 13 59.614 0.97 . 1 . . . A 164 GLU CA . 25509 1 672 . 1 1 164 164 GLU N N 15 121.998 0.56 . 1 . . . A 164 GLU N . 25509 1 673 . 1 1 165 165 HIS H H 1 8.707 0.01 . 1 . . . A 165 HIS H . 25509 1 674 . 1 1 165 165 HIS HA H 1 4.602 0.01 . 1 . . . A 165 HIS HA . 25509 1 675 . 1 1 165 165 HIS C C 13 178.924 0.97 . 1 . . . A 165 HIS C . 25509 1 676 . 1 1 165 165 HIS CA C 13 59.393 0.97 . 1 . . . A 165 HIS CA . 25509 1 677 . 1 1 165 165 HIS N N 15 120.268 0.56 . 1 . . . A 165 HIS N . 25509 1 678 . 1 1 166 166 SER H H 1 8.649 0.01 . 1 . . . A 166 SER H . 25509 1 679 . 1 1 166 166 SER HA H 1 4.400 0.01 . 1 . . . A 166 SER HA . 25509 1 680 . 1 1 166 166 SER C C 13 177.421 0.97 . 1 . . . A 166 SER C . 25509 1 681 . 1 1 166 166 SER CA C 13 63.202 0.97 . 1 . . . A 166 SER CA . 25509 1 682 . 1 1 166 166 SER N N 15 118.252 0.56 . 1 . . . A 166 SER N . 25509 1 683 . 1 1 167 167 GLN H H 1 8.645 0.01 . 1 . . . A 167 GLN H . 25509 1 684 . 1 1 167 167 GLN HA H 1 4.176 0.01 . 1 . . . A 167 GLN HA . 25509 1 685 . 1 1 167 167 GLN C C 13 179.643 0.97 . 1 . . . A 167 GLN C . 25509 1 686 . 1 1 167 167 GLN CA C 13 58.782 0.97 . 1 . . . A 167 GLN CA . 25509 1 687 . 1 1 167 167 GLN N N 15 121.647 0.56 . 1 . . . A 167 GLN N . 25509 1 688 . 1 1 168 168 ALA H H 1 8.092 0.01 . 1 . . . A 168 ALA H . 25509 1 689 . 1 1 168 168 ALA HA H 1 4.249 0.01 . 1 . . . A 168 ALA HA . 25509 1 690 . 1 1 168 168 ALA C C 13 181.949 0.97 . 1 . . . A 168 ALA C . 25509 1 691 . 1 1 168 168 ALA CA C 13 54.880 0.97 . 1 . . . A 168 ALA CA . 25509 1 692 . 1 1 168 168 ALA N N 15 124.242 0.56 . 1 . . . A 168 ALA N . 25509 1 693 . 1 1 169 169 LEU H H 1 8.526 0.01 . 1 . . . A 169 LEU H . 25509 1 694 . 1 1 169 169 LEU HA H 1 4.087 0.01 . 1 . . . A 169 LEU HA . 25509 1 695 . 1 1 169 169 LEU C C 13 179.159 0.97 . 1 . . . A 169 LEU C . 25509 1 696 . 1 1 169 169 LEU CA C 13 57.603 0.97 . 1 . . . A 169 LEU CA . 25509 1 697 . 1 1 169 169 LEU N N 15 120.509 0.56 . 1 . . . A 169 LEU N . 25509 1 698 . 1 1 170 170 SER H H 1 8.853 0.01 . 1 . . . A 170 SER H . 25509 1 699 . 1 1 170 170 SER HA H 1 4.128 0.01 . 1 . . . A 170 SER HA . 25509 1 700 . 1 1 170 170 SER C C 13 178.370 0.97 . 1 . . . A 170 SER C . 25509 1 701 . 1 1 170 170 SER CA C 13 62.240 0.97 . 1 . . . A 170 SER CA . 25509 1 702 . 1 1 170 170 SER N N 15 117.410 0.56 . 1 . . . A 170 SER N . 25509 1 703 . 1 1 171 171 GLY H H 1 8.175 0.01 . 1 . . . A 171 GLY H . 25509 1 704 . 1 1 171 171 GLY HA2 H 1 4.150 0.01 . 1 . . . A 171 GLY HA2 . 25509 1 705 . 1 1 171 171 GLY HA3 H 1 3.965 0.01 . 1 . . . A 171 GLY HA3 . 25509 1 706 . 1 1 171 171 GLY C C 13 176.376 0.97 . 1 . . . A 171 GLY C . 25509 1 707 . 1 1 171 171 GLY CA C 13 46.673 0.97 . 1 . . . A 171 GLY CA . 25509 1 708 . 1 1 171 171 GLY N N 15 111.058 0.56 . 1 . . . A 171 GLY N . 25509 1 709 . 1 1 172 172 ARG H H 1 7.578 0.01 . 1 . . . A 172 ARG H . 25509 1 710 . 1 1 172 172 ARG HA H 1 4.191 0.01 . 1 . . . A 172 ARG HA . 25509 1 711 . 1 1 172 172 ARG C C 13 178.807 0.97 . 1 . . . A 172 ARG C . 25509 1 712 . 1 1 172 172 ARG CA C 13 58.189 0.97 . 1 . . . A 172 ARG CA . 25509 1 713 . 1 1 172 172 ARG N N 15 123.131 0.56 . 1 . . . A 172 ARG N . 25509 1 714 . 1 1 173 173 LEU H H 1 8.813 0.01 . 1 . . . A 173 LEU H . 25509 1 715 . 1 1 173 173 LEU HA H 1 3.992 0.01 . 1 . . . A 173 LEU HA . 25509 1 716 . 1 1 173 173 LEU C C 13 178.396 0.97 . 1 . . . A 173 LEU C . 25509 1 717 . 1 1 173 173 LEU CA C 13 57.461 0.97 . 1 . . . A 173 LEU CA . 25509 1 718 . 1 1 173 173 LEU N N 15 120.594 0.56 . 1 . . . A 173 LEU N . 25509 1 719 . 1 1 174 174 GLY H H 1 8.221 0.01 . 1 . . . A 174 GLY H . 25509 1 720 . 1 1 174 174 GLY HA2 H 1 3.755 0.01 . 1 . . . A 174 GLY HA2 . 25509 1 721 . 1 1 174 174 GLY HA3 H 1 3.929 0.01 . 1 . . . A 174 GLY HA3 . 25509 1 722 . 1 1 174 174 GLY C C 13 176.170 0.97 . 1 . . . A 174 GLY C . 25509 1 723 . 1 1 174 174 GLY CA C 13 46.641 0.97 . 1 . . . A 174 GLY CA . 25509 1 724 . 1 1 174 174 GLY N N 15 105.456 0.56 . 1 . . . A 174 GLY N . 25509 1 725 . 1 1 175 175 GLU H H 1 7.478 0.01 . 1 . . . A 175 GLU H . 25509 1 726 . 1 1 175 175 GLU HA H 1 4.080 0.01 . 1 . . . A 175 GLU HA . 25509 1 727 . 1 1 175 175 GLU C C 13 179.100 0.97 . 1 . . . A 175 GLU C . 25509 1 728 . 1 1 175 175 GLU CA C 13 58.450 0.97 . 1 . . . A 175 GLU CA . 25509 1 729 . 1 1 175 175 GLU N N 15 120.171 0.56 . 1 . . . A 175 GLU N . 25509 1 730 . 1 1 176 176 ILE H H 1 7.755 0.01 . 1 . . . A 176 ILE H . 25509 1 731 . 1 1 176 176 ILE HA H 1 3.680 0.01 . 1 . . . A 176 ILE HA . 25509 1 732 . 1 1 176 176 ILE C C 13 177.560 0.97 . 1 . . . A 176 ILE C . 25509 1 733 . 1 1 176 176 ILE CA C 13 64.476 0.97 . 1 . . . A 176 ILE CA . 25509 1 734 . 1 1 176 176 ILE N N 15 119.642 0.56 . 1 . . . A 176 ILE N . 25509 1 735 . 1 1 177 177 LEU H H 1 8.067 0.01 . 1 . . . A 177 LEU H . 25509 1 736 . 1 1 177 177 LEU HA H 1 4.091 0.01 . 1 . . . A 177 LEU HA . 25509 1 737 . 1 1 177 177 LEU C C 13 177.520 0.97 . 1 . . . A 177 LEU C . 25509 1 738 . 1 1 177 177 LEU CA C 13 55.252 0.97 . 1 . . . A 177 LEU CA . 25509 1 739 . 1 1 177 177 LEU N N 15 116.019 0.56 . 1 . . . A 177 LEU N . 25509 1 740 . 1 1 178 178 ARG H H 1 7.566 0.01 . 1 . . . A 178 ARG H . 25509 1 741 . 1 1 178 178 ARG HA H 1 4.139 0.01 . 1 . . . A 178 ARG HA . 25509 1 742 . 1 1 178 178 ARG C C 13 175.953 0.97 . 1 . . . A 178 ARG C . 25509 1 743 . 1 1 178 178 ARG CA C 13 56.683 0.97 . 1 . . . A 178 ARG CA . 25509 1 744 . 1 1 178 178 ARG N N 15 118.755 0.56 . 1 . . . A 178 ARG N . 25509 1 745 . 1 1 179 179 HIS H H 1 8.140 0.01 . 1 . . . A 179 HIS H . 25509 1 746 . 1 1 179 179 HIS HA H 1 4.612 0.01 . 1 . . . A 179 HIS HA . 25509 1 747 . 1 1 179 179 HIS C C 13 174.365 0.97 . 1 . . . A 179 HIS C . 25509 1 748 . 1 1 179 179 HIS CA C 13 55.781 0.97 . 1 . . . A 179 HIS CA . 25509 1 749 . 1 1 179 179 HIS N N 15 120.648 0.56 . 1 . . . A 179 HIS N . 25509 1 750 . 1 1 180 180 SER H H 1 8.010 0.01 . 1 . . . A 180 SER H . 25509 1 751 . 1 1 180 180 SER C C 13 178.724 0.97 . 1 . . . A 180 SER C . 25509 1 752 . 1 1 180 180 SER CA C 13 59.847 0.97 . 1 . . . A 180 SER CA . 25509 1 753 . 1 1 180 180 SER N N 15 123.174 0.56 . 1 . . . A 180 SER N . 25509 1 stop_ save_