data_27000 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27000 _Entry.Title ; Adenylate kinase R119A mutant Apo form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-19 _Entry.Accession_date 2017-01-19 _Entry.Last_release_date 2017-01-19 _Entry.Original_release_date 2017-01-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Adenylate kinase variant R119A in Apo form plus bound to Ap5A, ATP, and AMP' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Per Rogne . . . . 27000 2 Magnus Wolf-Watz . . . . 27000 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27000 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 162 27000 '1H chemical shifts' 162 27000 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-11-22 2017-01-19 update BMRB 'update entry citation' 27000 1 . . 2019-07-30 2017-01-19 original author 'original release' 27000 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26999 'Adenylate kinase wild type Apo form' 27000 BMRB 27001 'Adenylate kinase R119K mutant Apo form' 27000 BMRB 27004 'Adenylate kinase wild type bound to Ap5A' 27000 BMRB 27005 'Adenylate kinase wild type bound to ATP' 27000 BMRB 27006 'Adenylate kinase wild type bound to AMP' 27000 BMRB 27007 'Adenylate kinase R119A mutant bound to Ap5A' 27000 BMRB 27008 'Adenylate kinase R119A mutant bound to ATP' 27000 BMRB 27009 'Adenylate kinase R119A mutant bound to AMP' 27000 BMRB 27010 'Adenylate kinase R119K mutant bound to Ap5A' 27000 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27000 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31339702 _Citation.Full_citation . _Citation.Title ; Nucleation of an Activating Conformational Change by a Cation-pi Interaction ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 58 _Citation.Journal_issue 32 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 3408 _Citation.Page_last 3412 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Per Rogne P. . . . 27000 1 2 David Andersson D. . . . 27000 1 3 Christin Grundstrom C. . . . 27000 1 4 Elisabeth Sauer-Eriksson E. . . . 27000 1 5 Anna Linusson A. . . . 27000 1 6 Magnus Wolf-Watz M. . . . 27000 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 27000 _Assembly.ID 1 _Assembly.Name R119A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 R119A 1 $R119A A . yes native no no . . . 27000 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_R119A _Entity.Sf_category entity _Entity.Sf_framecode R119A _Entity.Entry_ID 27000 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name R119A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRIILLGAPGAGKGTQAQFI MEKYGIPQISTGDMLRAAVK SGSELGKQAKDIMDAGKLVT DELVIALVKERIAQEDCRNG FLLDGFPRTIPQADAMKEAG INVDYVLEFDVPDELIVDAI VGRRVHAPSGRVYHVKFNPP KVEGKDDVTGEELTTRKDDQ EETVRKRLVEYHQMTAPLIG YYSKEAEAGNTKYAKVDGTK PVAEVRADLEKILG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation R119A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27000 1 2 . ARG . 27000 1 3 . ILE . 27000 1 4 . ILE . 27000 1 5 . LEU . 27000 1 6 . LEU . 27000 1 7 . GLY . 27000 1 8 . ALA . 27000 1 9 . PRO . 27000 1 10 . GLY . 27000 1 11 . ALA . 27000 1 12 . GLY . 27000 1 13 . LYS . 27000 1 14 . GLY . 27000 1 15 . THR . 27000 1 16 . GLN . 27000 1 17 . ALA . 27000 1 18 . GLN . 27000 1 19 . PHE . 27000 1 20 . ILE . 27000 1 21 . MET . 27000 1 22 . GLU . 27000 1 23 . LYS . 27000 1 24 . TYR . 27000 1 25 . GLY . 27000 1 26 . ILE . 27000 1 27 . PRO . 27000 1 28 . GLN . 27000 1 29 . ILE . 27000 1 30 . SER . 27000 1 31 . THR . 27000 1 32 . GLY . 27000 1 33 . ASP . 27000 1 34 . MET . 27000 1 35 . LEU . 27000 1 36 . ARG . 27000 1 37 . ALA . 27000 1 38 . ALA . 27000 1 39 . VAL . 27000 1 40 . LYS . 27000 1 41 . SER . 27000 1 42 . GLY . 27000 1 43 . SER . 27000 1 44 . GLU . 27000 1 45 . LEU . 27000 1 46 . GLY . 27000 1 47 . LYS . 27000 1 48 . GLN . 27000 1 49 . ALA . 27000 1 50 . LYS . 27000 1 51 . ASP . 27000 1 52 . ILE . 27000 1 53 . MET . 27000 1 54 . ASP . 27000 1 55 . ALA . 27000 1 56 . GLY . 27000 1 57 . LYS . 27000 1 58 . LEU . 27000 1 59 . VAL . 27000 1 60 . THR . 27000 1 61 . ASP . 27000 1 62 . GLU . 27000 1 63 . LEU . 27000 1 64 . VAL . 27000 1 65 . ILE . 27000 1 66 . ALA . 27000 1 67 . LEU . 27000 1 68 . VAL . 27000 1 69 . LYS . 27000 1 70 . GLU . 27000 1 71 . ARG . 27000 1 72 . ILE . 27000 1 73 . ALA . 27000 1 74 . GLN . 27000 1 75 . GLU . 27000 1 76 . ASP . 27000 1 77 . CYS . 27000 1 78 . ARG . 27000 1 79 . ASN . 27000 1 80 . GLY . 27000 1 81 . PHE . 27000 1 82 . LEU . 27000 1 83 . LEU . 27000 1 84 . ASP . 27000 1 85 . GLY . 27000 1 86 . PHE . 27000 1 87 . PRO . 27000 1 88 . ARG . 27000 1 89 . THR . 27000 1 90 . ILE . 27000 1 91 . PRO . 27000 1 92 . GLN . 27000 1 93 . ALA . 27000 1 94 . ASP . 27000 1 95 . ALA . 27000 1 96 . MET . 27000 1 97 . LYS . 27000 1 98 . GLU . 27000 1 99 . ALA . 27000 1 100 . GLY . 27000 1 101 . ILE . 27000 1 102 . ASN . 27000 1 103 . VAL . 27000 1 104 . ASP . 27000 1 105 . TYR . 27000 1 106 . VAL . 27000 1 107 . LEU . 27000 1 108 . GLU . 27000 1 109 . PHE . 27000 1 110 . ASP . 27000 1 111 . VAL . 27000 1 112 . PRO . 27000 1 113 . ASP . 27000 1 114 . GLU . 27000 1 115 . LEU . 27000 1 116 . ILE . 27000 1 117 . VAL . 27000 1 118 . ASP . 27000 1 119 . ALA . 27000 1 120 . ILE . 27000 1 121 . VAL . 27000 1 122 . GLY . 27000 1 123 . ARG . 27000 1 124 . ARG . 27000 1 125 . VAL . 27000 1 126 . HIS . 27000 1 127 . ALA . 27000 1 128 . PRO . 27000 1 129 . SER . 27000 1 130 . GLY . 27000 1 131 . ARG . 27000 1 132 . VAL . 27000 1 133 . TYR . 27000 1 134 . HIS . 27000 1 135 . VAL . 27000 1 136 . LYS . 27000 1 137 . PHE . 27000 1 138 . ASN . 27000 1 139 . PRO . 27000 1 140 . PRO . 27000 1 141 . LYS . 27000 1 142 . VAL . 27000 1 143 . GLU . 27000 1 144 . GLY . 27000 1 145 . LYS . 27000 1 146 . ASP . 27000 1 147 . ASP . 27000 1 148 . VAL . 27000 1 149 . THR . 27000 1 150 . GLY . 27000 1 151 . GLU . 27000 1 152 . GLU . 27000 1 153 . LEU . 27000 1 154 . THR . 27000 1 155 . THR . 27000 1 156 . ARG . 27000 1 157 . LYS . 27000 1 158 . ASP . 27000 1 159 . ASP . 27000 1 160 . GLN . 27000 1 161 . GLU . 27000 1 162 . GLU . 27000 1 163 . THR . 27000 1 164 . VAL . 27000 1 165 . ARG . 27000 1 166 . LYS . 27000 1 167 . ARG . 27000 1 168 . LEU . 27000 1 169 . VAL . 27000 1 170 . GLU . 27000 1 171 . TYR . 27000 1 172 . HIS . 27000 1 173 . GLN . 27000 1 174 . MET . 27000 1 175 . THR . 27000 1 176 . ALA . 27000 1 177 . PRO . 27000 1 178 . LEU . 27000 1 179 . ILE . 27000 1 180 . GLY . 27000 1 181 . TYR . 27000 1 182 . TYR . 27000 1 183 . SER . 27000 1 184 . LYS . 27000 1 185 . GLU . 27000 1 186 . ALA . 27000 1 187 . GLU . 27000 1 188 . ALA . 27000 1 189 . GLY . 27000 1 190 . ASN . 27000 1 191 . THR . 27000 1 192 . LYS . 27000 1 193 . TYR . 27000 1 194 . ALA . 27000 1 195 . LYS . 27000 1 196 . VAL . 27000 1 197 . ASP . 27000 1 198 . GLY . 27000 1 199 . THR . 27000 1 200 . LYS . 27000 1 201 . PRO . 27000 1 202 . VAL . 27000 1 203 . ALA . 27000 1 204 . GLU . 27000 1 205 . VAL . 27000 1 206 . ARG . 27000 1 207 . ALA . 27000 1 208 . ASP . 27000 1 209 . LEU . 27000 1 210 . GLU . 27000 1 211 . LYS . 27000 1 212 . ILE . 27000 1 213 . LEU . 27000 1 214 . GLY . 27000 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 27000 1 . ARG 2 2 27000 1 . ILE 3 3 27000 1 . ILE 4 4 27000 1 . LEU 5 5 27000 1 . LEU 6 6 27000 1 . GLY 7 7 27000 1 . ALA 8 8 27000 1 . PRO 9 9 27000 1 . GLY 10 10 27000 1 . ALA 11 11 27000 1 . GLY 12 12 27000 1 . LYS 13 13 27000 1 . GLY 14 14 27000 1 . THR 15 15 27000 1 . GLN 16 16 27000 1 . ALA 17 17 27000 1 . GLN 18 18 27000 1 . PHE 19 19 27000 1 . ILE 20 20 27000 1 . MET 21 21 27000 1 . GLU 22 22 27000 1 . LYS 23 23 27000 1 . TYR 24 24 27000 1 . GLY 25 25 27000 1 . ILE 26 26 27000 1 . PRO 27 27 27000 1 . GLN 28 28 27000 1 . ILE 29 29 27000 1 . SER 30 30 27000 1 . THR 31 31 27000 1 . GLY 32 32 27000 1 . ASP 33 33 27000 1 . MET 34 34 27000 1 . LEU 35 35 27000 1 . ARG 36 36 27000 1 . ALA 37 37 27000 1 . ALA 38 38 27000 1 . VAL 39 39 27000 1 . LYS 40 40 27000 1 . SER 41 41 27000 1 . GLY 42 42 27000 1 . SER 43 43 27000 1 . GLU 44 44 27000 1 . LEU 45 45 27000 1 . GLY 46 46 27000 1 . LYS 47 47 27000 1 . GLN 48 48 27000 1 . ALA 49 49 27000 1 . LYS 50 50 27000 1 . ASP 51 51 27000 1 . ILE 52 52 27000 1 . MET 53 53 27000 1 . ASP 54 54 27000 1 . ALA 55 55 27000 1 . GLY 56 56 27000 1 . LYS 57 57 27000 1 . LEU 58 58 27000 1 . VAL 59 59 27000 1 . THR 60 60 27000 1 . ASP 61 61 27000 1 . GLU 62 62 27000 1 . LEU 63 63 27000 1 . VAL 64 64 27000 1 . ILE 65 65 27000 1 . ALA 66 66 27000 1 . LEU 67 67 27000 1 . VAL 68 68 27000 1 . LYS 69 69 27000 1 . GLU 70 70 27000 1 . ARG 71 71 27000 1 . ILE 72 72 27000 1 . ALA 73 73 27000 1 . GLN 74 74 27000 1 . GLU 75 75 27000 1 . ASP 76 76 27000 1 . CYS 77 77 27000 1 . ARG 78 78 27000 1 . ASN 79 79 27000 1 . GLY 80 80 27000 1 . PHE 81 81 27000 1 . LEU 82 82 27000 1 . LEU 83 83 27000 1 . ASP 84 84 27000 1 . GLY 85 85 27000 1 . PHE 86 86 27000 1 . PRO 87 87 27000 1 . ARG 88 88 27000 1 . THR 89 89 27000 1 . ILE 90 90 27000 1 . PRO 91 91 27000 1 . GLN 92 92 27000 1 . ALA 93 93 27000 1 . ASP 94 94 27000 1 . ALA 95 95 27000 1 . MET 96 96 27000 1 . LYS 97 97 27000 1 . GLU 98 98 27000 1 . ALA 99 99 27000 1 . GLY 100 100 27000 1 . ILE 101 101 27000 1 . ASN 102 102 27000 1 . VAL 103 103 27000 1 . ASP 104 104 27000 1 . TYR 105 105 27000 1 . VAL 106 106 27000 1 . LEU 107 107 27000 1 . GLU 108 108 27000 1 . PHE 109 109 27000 1 . ASP 110 110 27000 1 . VAL 111 111 27000 1 . PRO 112 112 27000 1 . ASP 113 113 27000 1 . GLU 114 114 27000 1 . LEU 115 115 27000 1 . ILE 116 116 27000 1 . VAL 117 117 27000 1 . ASP 118 118 27000 1 . ALA 119 119 27000 1 . ILE 120 120 27000 1 . VAL 121 121 27000 1 . GLY 122 122 27000 1 . ARG 123 123 27000 1 . ARG 124 124 27000 1 . VAL 125 125 27000 1 . HIS 126 126 27000 1 . ALA 127 127 27000 1 . PRO 128 128 27000 1 . SER 129 129 27000 1 . GLY 130 130 27000 1 . ARG 131 131 27000 1 . VAL 132 132 27000 1 . TYR 133 133 27000 1 . HIS 134 134 27000 1 . VAL 135 135 27000 1 . LYS 136 136 27000 1 . PHE 137 137 27000 1 . ASN 138 138 27000 1 . PRO 139 139 27000 1 . PRO 140 140 27000 1 . LYS 141 141 27000 1 . VAL 142 142 27000 1 . GLU 143 143 27000 1 . GLY 144 144 27000 1 . LYS 145 145 27000 1 . ASP 146 146 27000 1 . ASP 147 147 27000 1 . VAL 148 148 27000 1 . THR 149 149 27000 1 . GLY 150 150 27000 1 . GLU 151 151 27000 1 . GLU 152 152 27000 1 . LEU 153 153 27000 1 . THR 154 154 27000 1 . THR 155 155 27000 1 . ARG 156 156 27000 1 . LYS 157 157 27000 1 . ASP 158 158 27000 1 . ASP 159 159 27000 1 . GLN 160 160 27000 1 . GLU 161 161 27000 1 . GLU 162 162 27000 1 . THR 163 163 27000 1 . VAL 164 164 27000 1 . ARG 165 165 27000 1 . LYS 166 166 27000 1 . ARG 167 167 27000 1 . LEU 168 168 27000 1 . VAL 169 169 27000 1 . GLU 170 170 27000 1 . TYR 171 171 27000 1 . HIS 172 172 27000 1 . GLN 173 173 27000 1 . MET 174 174 27000 1 . THR 175 175 27000 1 . ALA 176 176 27000 1 . PRO 177 177 27000 1 . LEU 178 178 27000 1 . ILE 179 179 27000 1 . GLY 180 180 27000 1 . TYR 181 181 27000 1 . TYR 182 182 27000 1 . SER 183 183 27000 1 . LYS 184 184 27000 1 . GLU 185 185 27000 1 . ALA 186 186 27000 1 . GLU 187 187 27000 1 . ALA 188 188 27000 1 . GLY 189 189 27000 1 . ASN 190 190 27000 1 . THR 191 191 27000 1 . LYS 192 192 27000 1 . TYR 193 193 27000 1 . ALA 194 194 27000 1 . LYS 195 195 27000 1 . VAL 196 196 27000 1 . ASP 197 197 27000 1 . GLY 198 198 27000 1 . THR 199 199 27000 1 . LYS 200 200 27000 1 . PRO 201 201 27000 1 . VAL 202 202 27000 1 . ALA 203 203 27000 1 . GLU 204 204 27000 1 . VAL 205 205 27000 1 . ARG 206 206 27000 1 . ALA 207 207 27000 1 . ASP 208 208 27000 1 . LEU 209 209 27000 1 . GLU 210 210 27000 1 . LYS 211 211 27000 1 . ILE 212 212 27000 1 . LEU 213 213 27000 1 . GLY 214 214 27000 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27000 _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 $R119A . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27000 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 27000 _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 $R119A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pEAK91 . . . 27000 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_R119A_Apo _Sample.Sf_category sample _Sample.Sf_framecode R119A_Apo _Sample.Entry_ID 27000 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 R119A [U-15N] . . 1 $R119A . . 200 . . uM . . . . 27000 1 2 MOPS 'natural abundance' . . . . . . 30 . . mM . . . . 27000 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27000 1 4 TMSP 'natural abundance' . . . . . . 100 . . uM . . . . 27000 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27000 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 80 . mM 27000 1 pH 7 . pH 27000 1 pressure 1 . atm 27000 1 temperature 298 . K 27000 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27000 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27000 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27000 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27000 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27000 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27000 2 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 27000 _Software.ID 3 _Software.Type . _Software.Name ANSIG _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 27000 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 27000 3 . 'peak picking' 27000 3 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 27000 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIIIHD _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27000 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 AvanceIIIHD . 850 . . . 27000 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 27000 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $R119A_Apo isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27000 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 27000 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TMSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27000 1 N 15 TMSP 'methyl protons' . . . . ppm 118 internal indirect 0.101329118 . . . . . 27000 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_chemical_shifts_R119A_Apo _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_R119A_Apo _Assigned_chem_shift_list.Entry_ID 27000 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27000 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRPipe . . 27000 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG H H 1 9.605 0.01 . 1 . . . . . 2 ARG H . 27000 1 2 . 1 1 2 2 ARG N N 15 127.756 0.02 . 1 . . . . . 2 ARG N . 27000 1 3 . 1 1 4 4 ILE H H 1 8.56 0.01 . 1 . . . . . 4 ILE H . 27000 1 4 . 1 1 4 4 ILE N N 15 126.096 0.02 . 1 . . . . . 4 ILE N . 27000 1 5 . 1 1 5 5 LEU H H 1 8.159 0.01 . 1 . . . . . 5 LEU H . 27000 1 6 . 1 1 5 5 LEU N N 15 128.854 0.02 . 1 . . . . . 5 LEU N . 27000 1 7 . 1 1 6 6 LEU H H 1 9.396 0.01 . 1 . . . . . 6 LEU H . 27000 1 8 . 1 1 6 6 LEU N N 15 128.846 0.02 . 1 . . . . . 6 LEU N . 27000 1 9 . 1 1 7 7 GLY H H 1 8.036 0.01 . 1 . . . . . 7 GLY H . 27000 1 10 . 1 1 7 7 GLY N N 15 108.417 0.02 . 1 . . . . . 7 GLY N . 27000 1 11 . 1 1 10 10 GLY H H 1 8.204 0.01 . 1 . . . . . 10 GLY H . 27000 1 12 . 1 1 10 10 GLY N N 15 111.147 0.02 . 1 . . . . . 10 GLY N . 27000 1 13 . 1 1 18 18 GLN H H 1 7.621 0.01 . 1 . . . . . 18 GLN H . 27000 1 14 . 1 1 18 18 GLN N N 15 115.062 0.02 . 1 . . . . . 18 GLN N . 27000 1 15 . 1 1 20 20 ILE H H 1 7.89 0.01 . 1 . . . . . 20 ILE H . 27000 1 16 . 1 1 20 20 ILE N N 15 120.111 0.02 . 1 . . . . . 20 ILE N . 27000 1 17 . 1 1 21 21 MET H H 1 8.325 0.01 . 1 . . . . . 21 MET H . 27000 1 18 . 1 1 21 21 MET N N 15 118.265 0.02 . 1 . . . . . 21 MET N . 27000 1 19 . 1 1 22 22 GLU H H 1 7.795 0.01 . 1 . . . . . 22 GLU H . 27000 1 20 . 1 1 22 22 GLU N N 15 117.43 0.02 . 1 . . . . . 22 GLU N . 27000 1 21 . 1 1 23 23 LYS H H 1 8.199 0.01 . 1 . . . . . 23 LYS H . 27000 1 22 . 1 1 23 23 LYS N N 15 120.468 0.02 . 1 . . . . . 23 LYS N . 27000 1 23 . 1 1 24 24 TYR H H 1 7.62 0.01 . 1 . . . . . 24 TYR H . 27000 1 24 . 1 1 24 24 TYR N N 15 112.403 0.02 . 1 . . . . . 24 TYR N . 27000 1 25 . 1 1 25 25 GLY H H 1 7.639 0.01 . 1 . . . . . 25 GLY H . 27000 1 26 . 1 1 25 25 GLY N N 15 111.591 0.02 . 1 . . . . . 25 GLY N . 27000 1 27 . 1 1 28 28 GLN H H 1 8.202 0.01 . 1 . . . . . 28 GLN H . 27000 1 28 . 1 1 28 28 GLN N N 15 119.031 0.02 . 1 . . . . . 28 GLN N . 27000 1 29 . 1 1 29 29 ILE H H 1 9.291 0.01 . 1 . . . . . 29 ILE H . 27000 1 30 . 1 1 29 29 ILE N N 15 127.078 0.02 . 1 . . . . . 29 ILE N . 27000 1 31 . 1 1 31 31 THR H H 1 9.257 0.01 . 1 . . . . . 31 THR H . 27000 1 32 . 1 1 31 31 THR N N 15 118.307 0.02 . 1 . . . . . 31 THR N . 27000 1 33 . 1 1 32 32 GLY H H 1 8.631 0.01 . 1 . . . . . 32 GLY H . 27000 1 34 . 1 1 32 32 GLY N N 15 110.012 0.02 . 1 . . . . . 32 GLY N . 27000 1 35 . 1 1 33 33 ASP H H 1 7.392 0.01 . 1 . . . . . 33 ASP H . 27000 1 36 . 1 1 33 33 ASP N N 15 121.522 0.02 . 1 . . . . . 33 ASP N . 27000 1 37 . 1 1 34 34 MET H H 1 8.106 0.01 . 1 . . . . . 34 MET H . 27000 1 38 . 1 1 34 34 MET N N 15 120.489 0.02 . 1 . . . . . 34 MET N . 27000 1 39 . 1 1 35 35 LEU H H 1 8.344 0.01 . 1 . . . . . 35 LEU H . 27000 1 40 . 1 1 35 35 LEU N N 15 121.42 0.02 . 1 . . . . . 35 LEU N . 27000 1 41 . 1 1 36 36 ARG H H 1 7.615 0.01 . 1 . . . . . 36 ARG H . 27000 1 42 . 1 1 36 36 ARG N N 15 117.774 0.02 . 1 . . . . . 36 ARG N . 27000 1 43 . 1 1 37 37 ALA H H 1 7.957 0.01 . 1 . . . . . 37 ALA H . 27000 1 44 . 1 1 37 37 ALA N N 15 120.205 0.02 . 1 . . . . . 37 ALA N . 27000 1 45 . 1 1 39 39 VAL H H 1 7.993 0.01 . 1 . . . . . 39 VAL H . 27000 1 46 . 1 1 39 39 VAL N N 15 116.837 0.02 . 1 . . . . . 39 VAL N . 27000 1 47 . 1 1 40 40 LYS H H 1 7.596 0.01 . 1 . . . . . 40 LYS H . 27000 1 48 . 1 1 40 40 LYS N N 15 119.226 0.02 . 1 . . . . . 40 LYS N . 27000 1 49 . 1 1 41 41 SER H H 1 7.845 0.01 . 1 . . . . . 41 SER H . 27000 1 50 . 1 1 41 41 SER N N 15 113.652 0.02 . 1 . . . . . 41 SER N . 27000 1 51 . 1 1 42 42 GLY H H 1 7.829 0.01 . 1 . . . . . 42 GLY H . 27000 1 52 . 1 1 42 42 GLY N N 15 109.827 0.02 . 1 . . . . . 42 GLY N . 27000 1 53 . 1 1 43 43 SER H H 1 7.789 0.01 . 1 . . . . . 43 SER H . 27000 1 54 . 1 1 43 43 SER N N 15 115.479 0.02 . 1 . . . . . 43 SER N . 27000 1 55 . 1 1 44 44 GLU H H 1 8.89 0.01 . 1 . . . . . 44 GLU H . 27000 1 56 . 1 1 44 44 GLU N N 15 122.755 0.02 . 1 . . . . . 44 GLU N . 27000 1 57 . 1 1 45 45 LEU H H 1 8.415 0.01 . 1 . . . . . 45 LEU H . 27000 1 58 . 1 1 45 45 LEU N N 15 119.32 0.02 . 1 . . . . . 45 LEU N . 27000 1 59 . 1 1 46 46 GLY H H 1 8.048 0.01 . 1 . . . . . 46 GLY H . 27000 1 60 . 1 1 46 46 GLY N N 15 108.044 0.02 . 1 . . . . . 46 GLY N . 27000 1 61 . 1 1 47 47 LYS H H 1 8.307 0.01 . 1 . . . . . 47 LYS H . 27000 1 62 . 1 1 47 47 LYS N N 15 122.32 0.02 . 1 . . . . . 47 LYS N . 27000 1 63 . 1 1 48 48 GLN H H 1 7.526 0.01 . 1 . . . . . 48 GLN H . 27000 1 64 . 1 1 48 48 GLN N N 15 118.769 0.02 . 1 . . . . . 48 GLN N . 27000 1 65 . 1 1 49 49 ALA H H 1 8.264 0.01 . 1 . . . . . 49 ALA H . 27000 1 66 . 1 1 49 49 ALA N N 15 120.733 0.02 . 1 . . . . . 49 ALA N . 27000 1 67 . 1 1 50 50 LYS H H 1 8.375 0.01 . 1 . . . . . 50 LYS H . 27000 1 68 . 1 1 50 50 LYS N N 15 119.672 0.02 . 1 . . . . . 50 LYS N . 27000 1 69 . 1 1 51 51 ASP H H 1 7.914 0.01 . 1 . . . . . 51 ASP H . 27000 1 70 . 1 1 51 51 ASP N N 15 118.423 0.02 . 1 . . . . . 51 ASP N . 27000 1 71 . 1 1 52 52 ILE H H 1 7.488 0.01 . 1 . . . . . 52 ILE H . 27000 1 72 . 1 1 52 52 ILE N N 15 120.984 0.02 . 1 . . . . . 52 ILE N . 27000 1 73 . 1 1 53 53 MET H H 1 8.309 0.01 . 1 . . . . . 53 MET H . 27000 1 74 . 1 1 53 53 MET N N 15 119.403 0.02 . 1 . . . . . 53 MET N . 27000 1 75 . 1 1 54 54 ASP H H 1 9.201 0.01 . 1 . . . . . 54 ASP H . 27000 1 76 . 1 1 54 54 ASP N N 15 122.189 0.02 . 1 . . . . . 54 ASP N . 27000 1 77 . 1 1 55 55 ALA H H 1 7.232 0.01 . 1 . . . . . 55 ALA H . 27000 1 78 . 1 1 55 55 ALA N N 15 119.841 0.02 . 1 . . . . . 55 ALA N . 27000 1 79 . 1 1 56 56 GLY H H 1 7.964 0.01 . 1 . . . . . 56 GLY H . 27000 1 80 . 1 1 56 56 GLY N N 15 107.757 0.02 . 1 . . . . . 56 GLY N . 27000 1 81 . 1 1 57 57 LYS H H 1 7.463 0.01 . 1 . . . . . 57 LYS H . 27000 1 82 . 1 1 57 57 LYS N N 15 119.399 0.02 . 1 . . . . . 57 LYS N . 27000 1 83 . 1 1 58 58 LEU H H 1 7.832 0.01 . 1 . . . . . 58 LEU H . 27000 1 84 . 1 1 58 58 LEU N N 15 119.387 0.02 . 1 . . . . . 58 LEU N . 27000 1 85 . 1 1 59 59 VAL H H 1 8.241 0.01 . 1 . . . . . 59 VAL H . 27000 1 86 . 1 1 59 59 VAL N N 15 121.602 0.02 . 1 . . . . . 59 VAL N . 27000 1 87 . 1 1 60 60 THR H H 1 6.992 0.01 . 1 . . . . . 60 THR H . 27000 1 88 . 1 1 60 60 THR N N 15 116.644 0.02 . 1 . . . . . 60 THR N . 27000 1 89 . 1 1 61 61 ASP H H 1 8.864 0.01 . 1 . . . . . 61 ASP H . 27000 1 90 . 1 1 61 61 ASP N N 15 121.923 0.02 . 1 . . . . . 61 ASP N . 27000 1 91 . 1 1 62 62 GLU H H 1 8.684 0.01 . 1 . . . . . 62 GLU H . 27000 1 92 . 1 1 62 62 GLU N N 15 117.227 0.02 . 1 . . . . . 62 GLU N . 27000 1 93 . 1 1 63 63 LEU H H 1 7.395 0.01 . 1 . . . . . 63 LEU H . 27000 1 94 . 1 1 63 63 LEU N N 15 122.487 0.02 . 1 . . . . . 63 LEU N . 27000 1 95 . 1 1 65 65 ILE H H 1 8.306 0.01 . 1 . . . . . 65 ILE H . 27000 1 96 . 1 1 65 65 ILE N N 15 118.967 0.02 . 1 . . . . . 65 ILE N . 27000 1 97 . 1 1 66 66 ALA H H 1 7.511 0.01 . 1 . . . . . 66 ALA H . 27000 1 98 . 1 1 66 66 ALA N N 15 122.581 0.02 . 1 . . . . . 66 ALA N . 27000 1 99 . 1 1 67 67 LEU H H 1 8.205 0.01 . 1 . . . . . 67 LEU H . 27000 1 100 . 1 1 67 67 LEU N N 15 119.964 0.02 . 1 . . . . . 67 LEU N . 27000 1 101 . 1 1 68 68 VAL H H 1 8.46 0.01 . 1 . . . . . 68 VAL H . 27000 1 102 . 1 1 68 68 VAL N N 15 123.178 0.02 . 1 . . . . . 68 VAL N . 27000 1 103 . 1 1 69 69 LYS H H 1 8.291 0.01 . 1 . . . . . 69 LYS H . 27000 1 104 . 1 1 69 69 LYS N N 15 118.676 0.02 . 1 . . . . . 69 LYS N . 27000 1 105 . 1 1 70 70 GLU H H 1 7.418 0.01 . 1 . . . . . 70 GLU H . 27000 1 106 . 1 1 70 70 GLU N N 15 117.255 0.02 . 1 . . . . . 70 GLU N . 27000 1 107 . 1 1 72 72 ILE H H 1 8.154 0.01 . 1 . . . . . 72 ILE H . 27000 1 108 . 1 1 72 72 ILE N N 15 110.688 0.02 . 1 . . . . . 72 ILE N . 27000 1 109 . 1 1 73 73 ALA H H 1 6.996 0.01 . 1 . . . . . 73 ALA H . 27000 1 110 . 1 1 73 73 ALA N N 15 122.421 0.02 . 1 . . . . . 73 ALA N . 27000 1 111 . 1 1 74 74 GLN H H 1 7.2 0.01 . 1 . . . . . 74 GLN H . 27000 1 112 . 1 1 74 74 GLN N N 15 116.821 0.02 . 1 . . . . . 74 GLN N . 27000 1 113 . 1 1 75 75 GLU H H 1 8.93 0.01 . 1 . . . . . 75 GLU H . 27000 1 114 . 1 1 75 75 GLU N N 15 122.27 0.02 . 1 . . . . . 75 GLU N . 27000 1 115 . 1 1 76 76 ASP H H 1 8.425 0.01 . 1 . . . . . 76 ASP H . 27000 1 116 . 1 1 76 76 ASP N N 15 117.131 0.02 . 1 . . . . . 76 ASP N . 27000 1 117 . 1 1 77 77 CYS H H 1 7.672 0.01 . 1 . . . . . 77 CYS H . 27000 1 118 . 1 1 77 77 CYS N N 15 118.142 0.02 . 1 . . . . . 77 CYS N . 27000 1 119 . 1 1 78 78 ARG H H 1 7.628 0.01 . 1 . . . . . 78 ARG H . 27000 1 120 . 1 1 78 78 ARG N N 15 122.65 0.02 . 1 . . . . . 78 ARG N . 27000 1 121 . 1 1 80 80 GLY H H 1 7.648 0.01 . 1 . . . . . 80 GLY H . 27000 1 122 . 1 1 80 80 GLY N N 15 108.975 0.02 . 1 . . . . . 80 GLY N . 27000 1 123 . 1 1 81 81 PHE H H 1 7.341 0.01 . 1 . . . . . 81 PHE H . 27000 1 124 . 1 1 81 81 PHE N N 15 108.467 0.02 . 1 . . . . . 81 PHE N . 27000 1 125 . 1 1 82 82 LEU H H 1 8.789 0.01 . 1 . . . . . 82 LEU H . 27000 1 126 . 1 1 82 82 LEU N N 15 122.475 0.02 . 1 . . . . . 82 LEU N . 27000 1 127 . 1 1 83 83 LEU H H 1 9.458 0.01 . 1 . . . . . 83 LEU H . 27000 1 128 . 1 1 83 83 LEU N N 15 128.119 0.02 . 1 . . . . . 83 LEU N . 27000 1 129 . 1 1 85 85 GLY H H 1 8.866 0.01 . 1 . . . . . 85 GLY H . 27000 1 130 . 1 1 85 85 GLY N N 15 113.146 0.02 . 1 . . . . . 85 GLY N . 27000 1 131 . 1 1 86 86 PHE H H 1 7.317 0.01 . 1 . . . . . 86 PHE H . 27000 1 132 . 1 1 86 86 PHE N N 15 120.198 0.02 . 1 . . . . . 86 PHE N . 27000 1 133 . 1 1 88 88 ARG H H 1 8.554 0.01 . 1 . . . . . 88 ARG H . 27000 1 134 . 1 1 88 88 ARG N N 15 114.517 0.02 . 1 . . . . . 88 ARG N . 27000 1 135 . 1 1 89 89 THR H H 1 7.059 0.01 . 1 . . . . . 89 THR H . 27000 1 136 . 1 1 89 89 THR N N 15 107.075 0.02 . 1 . . . . . 89 THR N . 27000 1 137 . 1 1 90 90 ILE H H 1 8.968 0.01 . 1 . . . . . 90 ILE H . 27000 1 138 . 1 1 90 90 ILE N N 15 121.533 0.02 . 1 . . . . . 90 ILE N . 27000 1 139 . 1 1 92 92 GLN H H 1 7.213 0.01 . 1 . . . . . 92 GLN H . 27000 1 140 . 1 1 92 92 GLN N N 15 116.539 0.02 . 1 . . . . . 92 GLN N . 27000 1 141 . 1 1 93 93 ALA H H 1 7.683 0.01 . 1 . . . . . 93 ALA H . 27000 1 142 . 1 1 93 93 ALA N N 15 124.927 0.02 . 1 . . . . . 93 ALA N . 27000 1 143 . 1 1 95 95 ALA H H 1 8.032 0.01 . 1 . . . . . 95 ALA H . 27000 1 144 . 1 1 95 95 ALA N N 15 123.06 0.02 . 1 . . . . . 95 ALA N . 27000 1 145 . 1 1 97 97 LYS H H 1 7.52 0.01 . 1 . . . . . 97 LYS H . 27000 1 146 . 1 1 97 97 LYS N N 15 120.794 0.02 . 1 . . . . . 97 LYS N . 27000 1 147 . 1 1 98 98 GLU H H 1 8.413 0.01 . 1 . . . . . 98 GLU H . 27000 1 148 . 1 1 98 98 GLU N N 15 121.432 0.02 . 1 . . . . . 98 GLU N . 27000 1 149 . 1 1 99 99 ALA H H 1 7.466 0.01 . 1 . . . . . 99 ALA H . 27000 1 150 . 1 1 99 99 ALA N N 15 113.186 0.02 . 1 . . . . . 99 ALA N . 27000 1 151 . 1 1 100 100 GLY H H 1 7.806 0.01 . 1 . . . . . 100 GLY H . 27000 1 152 . 1 1 100 100 GLY N N 15 106.645 0.02 . 1 . . . . . 100 GLY N . 27000 1 153 . 1 1 101 101 ILE H H 1 8.025 0.01 . 1 . . . . . 101 ILE H . 27000 1 154 . 1 1 101 101 ILE N N 15 122.001 0.02 . 1 . . . . . 101 ILE N . 27000 1 155 . 1 1 102 102 ASN H H 1 7.846 0.01 . 1 . . . . . 102 ASN H . 27000 1 156 . 1 1 102 102 ASN N N 15 123.598 0.02 . 1 . . . . . 102 ASN N . 27000 1 157 . 1 1 103 103 VAL H H 1 8.348 0.01 . 1 . . . . . 103 VAL H . 27000 1 158 . 1 1 103 103 VAL N N 15 113.074 0.02 . 1 . . . . . 103 VAL N . 27000 1 159 . 1 1 105 105 TYR H H 1 7.563 0.01 . 1 . . . . . 105 TYR H . 27000 1 160 . 1 1 105 105 TYR N N 15 114.373 0.02 . 1 . . . . . 105 TYR N . 27000 1 161 . 1 1 106 106 VAL H H 1 8.911 0.01 . 1 . . . . . 106 VAL H . 27000 1 162 . 1 1 106 106 VAL N N 15 123.428 0.02 . 1 . . . . . 106 VAL N . 27000 1 163 . 1 1 107 107 LEU H H 1 8.84 0.01 . 1 . . . . . 107 LEU H . 27000 1 164 . 1 1 107 107 LEU N N 15 124.539 0.02 . 1 . . . . . 107 LEU N . 27000 1 165 . 1 1 108 108 GLU H H 1 8.743 0.01 . 1 . . . . . 108 GLU H . 27000 1 166 . 1 1 108 108 GLU N N 15 124.686 0.02 . 1 . . . . . 108 GLU N . 27000 1 167 . 1 1 109 109 PHE H H 1 9.18 0.01 . 1 . . . . . 109 PHE H . 27000 1 168 . 1 1 109 109 PHE N N 15 130.69 0.02 . 1 . . . . . 109 PHE N . 27000 1 169 . 1 1 110 110 ASP H H 1 8.682 0.01 . 1 . . . . . 110 ASP H . 27000 1 170 . 1 1 110 110 ASP N N 15 128.959 0.02 . 1 . . . . . 110 ASP N . 27000 1 171 . 1 1 111 111 VAL H H 1 7.351 0.01 . 1 . . . . . 111 VAL H . 27000 1 172 . 1 1 111 111 VAL N N 15 125.694 0.02 . 1 . . . . . 111 VAL N . 27000 1 173 . 1 1 113 113 ASP H H 1 8.789 0.01 . 1 . . . . . 113 ASP H . 27000 1 174 . 1 1 113 113 ASP N N 15 123.861 0.02 . 1 . . . . . 113 ASP N . 27000 1 175 . 1 1 114 114 GLU H H 1 8.971 0.01 . 1 . . . . . 114 GLU H . 27000 1 176 . 1 1 114 114 GLU N N 15 114.761 0.02 . 1 . . . . . 114 GLU N . 27000 1 177 . 1 1 121 121 VAL H H 1 8.877 0.01 . 1 . . . . . 121 VAL H . 27000 1 178 . 1 1 121 121 VAL N N 15 114.97 0.02 . 1 . . . . . 121 VAL N . 27000 1 179 . 1 1 122 122 GLY H H 1 7.212 0.01 . 1 . . . . . 122 GLY H . 27000 1 180 . 1 1 122 122 GLY N N 15 105.267 0.02 . 1 . . . . . 122 GLY N . 27000 1 181 . 1 1 123 123 ARG H H 1 7.585 0.01 . 1 . . . . . 123 ARG H . 27000 1 182 . 1 1 123 123 ARG N N 15 120.455 0.02 . 1 . . . . . 123 ARG N . 27000 1 183 . 1 1 124 124 ARG H H 1 8.785 0.01 . 1 . . . . . 124 ARG H . 27000 1 184 . 1 1 124 124 ARG N N 15 125.307 0.02 . 1 . . . . . 124 ARG N . 27000 1 185 . 1 1 127 127 ALA H H 1 9 0.01 . 1 . . . . . 127 ALA H . 27000 1 186 . 1 1 127 127 ALA N N 15 129.633 0.02 . 1 . . . . . 127 ALA N . 27000 1 187 . 1 1 129 129 SER H H 1 6.716 0.01 . 1 . . . . . 129 SER H . 27000 1 188 . 1 1 129 129 SER N N 15 107.49 0.02 . 1 . . . . . 129 SER N . 27000 1 189 . 1 1 130 130 GLY H H 1 8.535 0.01 . 1 . . . . . 130 GLY H . 27000 1 190 . 1 1 130 130 GLY N N 15 113.121 0.02 . 1 . . . . . 130 GLY N . 27000 1 191 . 1 1 131 131 ARG H H 1 8.391 0.01 . 1 . . . . . 131 ARG H . 27000 1 192 . 1 1 131 131 ARG N N 15 122.198 0.02 . 1 . . . . . 131 ARG N . 27000 1 193 . 1 1 132 132 VAL H H 1 7.852 0.01 . 1 . . . . . 132 VAL H . 27000 1 194 . 1 1 132 132 VAL N N 15 119.99 0.02 . 1 . . . . . 132 VAL N . 27000 1 195 . 1 1 133 133 TYR H H 1 9.152 0.01 . 1 . . . . . 133 TYR H . 27000 1 196 . 1 1 133 133 TYR N N 15 124.373 0.02 . 1 . . . . . 133 TYR N . 27000 1 197 . 1 1 134 134 HIS H H 1 8.322 0.01 . 1 . . . . . 134 HIS H . 27000 1 198 . 1 1 134 134 HIS N N 15 120.844 0.02 . 1 . . . . . 134 HIS N . 27000 1 199 . 1 1 136 136 LYS H H 1 9.396 0.01 . 1 . . . . . 136 LYS H . 27000 1 200 . 1 1 136 136 LYS N N 15 119.972 0.02 . 1 . . . . . 136 LYS N . 27000 1 201 . 1 1 138 138 ASN H H 1 8.553 0.01 . 1 . . . . . 138 ASN H . 27000 1 202 . 1 1 138 138 ASN N N 15 114.182 0.02 . 1 . . . . . 138 ASN N . 27000 1 203 . 1 1 141 141 LYS H H 1 10.031 0.01 . 1 . . . . . 141 LYS H . 27000 1 204 . 1 1 141 141 LYS N N 15 124.196 0.02 . 1 . . . . . 141 LYS N . 27000 1 205 . 1 1 143 143 GLU H H 1 8.071 0.01 . 1 . . . . . 143 GLU H . 27000 1 206 . 1 1 143 143 GLU N N 15 125.587 0.02 . 1 . . . . . 143 GLU N . 27000 1 207 . 1 1 144 144 GLY H H 1 8.835 0.01 . 1 . . . . . 144 GLY H . 27000 1 208 . 1 1 144 144 GLY N N 15 111.79 0.02 . 1 . . . . . 144 GLY N . 27000 1 209 . 1 1 145 145 LYS H H 1 7.914 0.01 . 1 . . . . . 145 LYS H . 27000 1 210 . 1 1 145 145 LYS N N 15 119.315 0.02 . 1 . . . . . 145 LYS N . 27000 1 211 . 1 1 146 146 ASP H H 1 8.974 0.01 . 1 . . . . . 146 ASP H . 27000 1 212 . 1 1 146 146 ASP N N 15 119.941 0.02 . 1 . . . . . 146 ASP N . 27000 1 213 . 1 1 147 147 ASP H H 1 7.815 0.01 . 1 . . . . . 147 ASP H . 27000 1 214 . 1 1 147 147 ASP N N 15 127.151 0.02 . 1 . . . . . 147 ASP N . 27000 1 215 . 1 1 148 148 VAL H H 1 6.271 0.01 . 1 . . . . . 148 VAL H . 27000 1 216 . 1 1 148 148 VAL N N 15 114.969 0.02 . 1 . . . . . 148 VAL N . 27000 1 217 . 1 1 149 149 THR H H 1 7.402 0.01 . 1 . . . . . 149 THR H . 27000 1 218 . 1 1 149 149 THR N N 15 105.479 0.02 . 1 . . . . . 149 THR N . 27000 1 219 . 1 1 150 150 GLY H H 1 7.789 0.01 . 1 . . . . . 150 GLY H . 27000 1 220 . 1 1 150 150 GLY N N 15 111.135 0.02 . 1 . . . . . 150 GLY N . 27000 1 221 . 1 1 151 151 GLU H H 1 7.505 0.01 . 1 . . . . . 151 GLU H . 27000 1 222 . 1 1 151 151 GLU N N 15 118.756 0.02 . 1 . . . . . 151 GLU N . 27000 1 223 . 1 1 152 152 GLU H H 1 8.619 0.01 . 1 . . . . . 152 GLU H . 27000 1 224 . 1 1 152 152 GLU N N 15 119.596 0.02 . 1 . . . . . 152 GLU N . 27000 1 225 . 1 1 153 153 LEU H H 1 7.841 0.01 . 1 . . . . . 153 LEU H . 27000 1 226 . 1 1 153 153 LEU N N 15 120.949 0.02 . 1 . . . . . 153 LEU N . 27000 1 227 . 1 1 154 154 THR H H 1 9.239 0.01 . 1 . . . . . 154 THR H . 27000 1 228 . 1 1 154 154 THR N N 15 114.277 0.02 . 1 . . . . . 154 THR N . 27000 1 229 . 1 1 155 155 THR H H 1 8.303 0.01 . 1 . . . . . 155 THR H . 27000 1 230 . 1 1 155 155 THR N N 15 115.623 0.02 . 1 . . . . . 155 THR N . 27000 1 231 . 1 1 156 156 ARG H H 1 9.719 0.01 . 1 . . . . . 156 ARG H . 27000 1 232 . 1 1 156 156 ARG N N 15 127.203 0.02 . 1 . . . . . 156 ARG N . 27000 1 233 . 1 1 158 158 ASP H H 1 8.302 0.01 . 1 . . . . . 158 ASP H . 27000 1 234 . 1 1 158 158 ASP N N 15 114.61 0.02 . 1 . . . . . 158 ASP N . 27000 1 235 . 1 1 161 161 GLU H H 1 9.123 0.01 . 1 . . . . . 161 GLU H . 27000 1 236 . 1 1 161 161 GLU N N 15 124.455 0.02 . 1 . . . . . 161 GLU N . 27000 1 237 . 1 1 162 162 GLU H H 1 9.172 0.01 . 1 . . . . . 162 GLU H . 27000 1 238 . 1 1 162 162 GLU N N 15 116.499 0.02 . 1 . . . . . 162 GLU N . 27000 1 239 . 1 1 163 163 THR H H 1 7.115 0.01 . 1 . . . . . 163 THR H . 27000 1 240 . 1 1 163 163 THR N N 15 116.298 0.02 . 1 . . . . . 163 THR N . 27000 1 241 . 1 1 164 164 VAL H H 1 8.179 0.01 . 1 . . . . . 164 VAL H . 27000 1 242 . 1 1 164 164 VAL N N 15 123.134 0.02 . 1 . . . . . 164 VAL N . 27000 1 243 . 1 1 165 165 ARG H H 1 8.712 0.01 . 1 . . . . . 165 ARG H . 27000 1 244 . 1 1 165 165 ARG N N 15 116.912 0.02 . 1 . . . . . 165 ARG N . 27000 1 245 . 1 1 166 166 LYS H H 1 7.658 0.01 . 1 . . . . . 166 LYS H . 27000 1 246 . 1 1 166 166 LYS N N 15 120.071 0.02 . 1 . . . . . 166 LYS N . 27000 1 247 . 1 1 168 168 LEU H H 1 8.058 0.01 . 1 . . . . . 168 LEU H . 27000 1 248 . 1 1 168 168 LEU N N 15 121.533 0.02 . 1 . . . . . 168 LEU N . 27000 1 249 . 1 1 171 171 TYR H H 1 8.118 0.01 . 1 . . . . . 171 TYR H . 27000 1 250 . 1 1 171 171 TYR N N 15 120.219 0.02 . 1 . . . . . 171 TYR N . 27000 1 251 . 1 1 173 173 GLN H H 1 8.463 0.01 . 1 . . . . . 173 GLN H . 27000 1 252 . 1 1 173 173 GLN N N 15 118.888 0.02 . 1 . . . . . 173 GLN N . 27000 1 253 . 1 1 174 174 MET H H 1 7.724 0.01 . 1 . . . . . 174 MET H . 27000 1 254 . 1 1 174 174 MET N N 15 115.617 0.02 . 1 . . . . . 174 MET N . 27000 1 255 . 1 1 175 175 THR H H 1 8.128 0.01 . 1 . . . . . 175 THR H . 27000 1 256 . 1 1 175 175 THR N N 15 113.484 0.02 . 1 . . . . . 175 THR N . 27000 1 257 . 1 1 176 176 ALA H H 1 8.35 0.01 . 1 . . . . . 176 ALA H . 27000 1 258 . 1 1 176 176 ALA N N 15 125.997 0.02 . 1 . . . . . 176 ALA N . 27000 1 259 . 1 1 178 178 LEU H H 1 6.861 0.01 . 1 . . . . . 178 LEU H . 27000 1 260 . 1 1 178 178 LEU N N 15 119.157 0.02 . 1 . . . . . 178 LEU N . 27000 1 261 . 1 1 179 179 ILE H H 1 8.371 0.01 . 1 . . . . . 179 ILE H . 27000 1 262 . 1 1 179 179 ILE N N 15 121.081 0.02 . 1 . . . . . 179 ILE N . 27000 1 263 . 1 1 180 180 GLY H H 1 7.803 0.01 . 1 . . . . . 180 GLY H . 27000 1 264 . 1 1 180 180 GLY N N 15 107.613 0.02 . 1 . . . . . 180 GLY N . 27000 1 265 . 1 1 181 181 TYR H H 1 7.875 0.01 . 1 . . . . . 181 TYR H . 27000 1 266 . 1 1 181 181 TYR N N 15 123.709 0.02 . 1 . . . . . 181 TYR N . 27000 1 267 . 1 1 182 182 TYR H H 1 8.848 0.01 . 1 . . . . . 182 TYR H . 27000 1 268 . 1 1 182 182 TYR N N 15 118.745 0.02 . 1 . . . . . 182 TYR N . 27000 1 269 . 1 1 184 184 LYS H H 1 7.364 0.01 . 1 . . . . . 184 LYS H . 27000 1 270 . 1 1 184 184 LYS N N 15 123.517 0.02 . 1 . . . . . 184 LYS N . 27000 1 271 . 1 1 185 185 GLU H H 1 7.927 0.01 . 1 . . . . . 185 GLU H . 27000 1 272 . 1 1 185 185 GLU N N 15 120.868 0.02 . 1 . . . . . 185 GLU N . 27000 1 273 . 1 1 186 186 ALA H H 1 8.285 0.01 . 1 . . . . . 186 ALA H . 27000 1 274 . 1 1 186 186 ALA N N 15 122.805 0.02 . 1 . . . . . 186 ALA N . 27000 1 275 . 1 1 187 187 GLU H H 1 7.898 0.01 . 1 . . . . . 187 GLU H . 27000 1 276 . 1 1 187 187 GLU N N 15 122.059 0.02 . 1 . . . . . 187 GLU N . 27000 1 277 . 1 1 188 188 ALA H H 1 7.417 0.01 . 1 . . . . . 188 ALA H . 27000 1 278 . 1 1 188 188 ALA N N 15 118.725 0.02 . 1 . . . . . 188 ALA N . 27000 1 279 . 1 1 189 189 GLY H H 1 7.744 0.01 . 1 . . . . . 189 GLY H . 27000 1 280 . 1 1 189 189 GLY N N 15 105.252 0.02 . 1 . . . . . 189 GLY N . 27000 1 281 . 1 1 190 190 ASN H H 1 8.09 0.01 . 1 . . . . . 190 ASN H . 27000 1 282 . 1 1 190 190 ASN N N 15 117.214 0.02 . 1 . . . . . 190 ASN N . 27000 1 283 . 1 1 191 191 THR H H 1 7.448 0.01 . 1 . . . . . 191 THR H . 27000 1 284 . 1 1 191 191 THR N N 15 113.716 0.02 . 1 . . . . . 191 THR N . 27000 1 285 . 1 1 192 192 LYS H H 1 7.769 0.01 . 1 . . . . . 192 LYS H . 27000 1 286 . 1 1 192 192 LYS N N 15 122.559 0.02 . 1 . . . . . 192 LYS N . 27000 1 287 . 1 1 193 193 TYR H H 1 8.237 0.01 . 1 . . . . . 193 TYR H . 27000 1 288 . 1 1 193 193 TYR N N 15 123.782 0.02 . 1 . . . . . 193 TYR N . 27000 1 289 . 1 1 194 194 ALA H H 1 8.195 0.01 . 1 . . . . . 194 ALA H . 27000 1 290 . 1 1 194 194 ALA N N 15 130.136 0.02 . 1 . . . . . 194 ALA N . 27000 1 291 . 1 1 195 195 LYS H H 1 8.256 0.01 . 1 . . . . . 195 LYS H . 27000 1 292 . 1 1 195 195 LYS N N 15 122.626 0.02 . 1 . . . . . 195 LYS N . 27000 1 293 . 1 1 196 196 VAL H H 1 9.022 0.01 . 1 . . . . . 196 VAL H . 27000 1 294 . 1 1 196 196 VAL N N 15 125.537 0.02 . 1 . . . . . 196 VAL N . 27000 1 295 . 1 1 197 197 ASP H H 1 8.645 0.01 . 1 . . . . . 197 ASP H . 27000 1 296 . 1 1 197 197 ASP N N 15 124.755 0.02 . 1 . . . . . 197 ASP N . 27000 1 297 . 1 1 198 198 GLY H H 1 8.325 0.01 . 1 . . . . . 198 GLY H . 27000 1 298 . 1 1 198 198 GLY N N 15 112.077 0.02 . 1 . . . . . 198 GLY N . 27000 1 299 . 1 1 199 199 THR H H 1 8.545 0.01 . 1 . . . . . 199 THR H . 27000 1 300 . 1 1 199 199 THR N N 15 111.35 0.02 . 1 . . . . . 199 THR N . 27000 1 301 . 1 1 200 200 LYS H H 1 6.518 0.01 . 1 . . . . . 200 LYS H . 27000 1 302 . 1 1 200 200 LYS N N 15 121.628 0.02 . 1 . . . . . 200 LYS N . 27000 1 303 . 1 1 202 202 VAL H H 1 8.395 0.01 . 1 . . . . . 202 VAL H . 27000 1 304 . 1 1 202 202 VAL N N 15 123.499 0.02 . 1 . . . . . 202 VAL N . 27000 1 305 . 1 1 204 204 GLU H H 1 7.351 0.01 . 1 . . . . . 204 GLU H . 27000 1 306 . 1 1 204 204 GLU N N 15 117.804 0.02 . 1 . . . . . 204 GLU N . 27000 1 307 . 1 1 205 205 VAL H H 1 7.801 0.01 . 1 . . . . . 205 VAL H . 27000 1 308 . 1 1 205 205 VAL N N 15 121.191 0.02 . 1 . . . . . 205 VAL N . 27000 1 309 . 1 1 206 206 ARG H H 1 7.875 0.01 . 1 . . . . . 206 ARG H . 27000 1 310 . 1 1 206 206 ARG N N 15 118.572 0.02 . 1 . . . . . 206 ARG N . 27000 1 311 . 1 1 207 207 ALA H H 1 7.181 0.01 . 1 . . . . . 207 ALA H . 27000 1 312 . 1 1 207 207 ALA N N 15 120.45 0.02 . 1 . . . . . 207 ALA N . 27000 1 313 . 1 1 208 208 ASP H H 1 8.21 0.01 . 1 . . . . . 208 ASP H . 27000 1 314 . 1 1 208 208 ASP N N 15 121.333 0.02 . 1 . . . . . 208 ASP N . 27000 1 315 . 1 1 209 209 LEU H H 1 8.451 0.01 . 1 . . . . . 209 LEU H . 27000 1 316 . 1 1 209 209 LEU N N 15 120.518 0.02 . 1 . . . . . 209 LEU N . 27000 1 317 . 1 1 210 210 GLU H H 1 8.381 0.01 . 1 . . . . . 210 GLU H . 27000 1 318 . 1 1 210 210 GLU N N 15 118.895 0.02 . 1 . . . . . 210 GLU N . 27000 1 319 . 1 1 212 212 ILE H H 1 7.546 0.01 . 1 . . . . . 212 ILE H . 27000 1 320 . 1 1 212 212 ILE N N 15 119.257 0.02 . 1 . . . . . 212 ILE N . 27000 1 321 . 1 1 213 213 LEU H H 1 8.049 0.01 . 1 . . . . . 213 LEU H . 27000 1 322 . 1 1 213 213 LEU N N 15 117.1 0.02 . 1 . . . . . 213 LEU N . 27000 1 323 . 1 1 214 214 GLY H H 1 7.556 0.01 . 1 . . . . . 214 GLY H . 27000 1 324 . 1 1 214 214 GLY N N 15 112.535 0.02 . 1 . . . . . 214 GLY N . 27000 1 stop_ save_