data_34799 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34799 _Entry.Title ; Structure of A4M4C bound to (KR)4 Solution backbone structure refined by PCS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-03-20 _Entry.Accession_date 2023-03-20 _Entry.Last_release_date 2023-11-08 _Entry.Original_release_date 2023-11-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 . _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 S. Cucuzza S. . . . 34799 2 O. Zerbe O. . . . 34799 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Armadillo Repeat Protein Binding PROTEIN BINDING (KR)4 Peptide' . 34799 'PROTEIN BINDING' . 34799 'STRUCTURE FROM CYANA 3.98.15' . 34799 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34799 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 224 34799 '1H chemical shifts' 218 34799 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 . . 2023-12-07 . original BMRB . 34799 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8OH7 'BMRB Entry Tracking System' 34799 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34799 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38016954 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Unexpected dynamics in femtomolar complexes of binding proteins with peptides ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD 0353 _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 7823 _Citation.Page_last 7823 _Citation.Year 2023 _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 S. Cucuzza S. . . . 34799 1 2 M. Sitnik M. . . . 34799 1 3 S. Jurt S. . . . 34799 1 4 E. Michel E. . . . 34799 1 5 W. Dai W. . . . 34799 1 6 T. Muentener T. . . . 34799 1 7 P. Ernst P. . . . 34799 1 8 D. Haeussinger D. . . . 34799 1 9 A. Plueckthun A. . . . 34799 1 10 O. Zerbe O. . . . 34799 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34799 _Assembly.ID 1 _Assembly.Name 'Designed Armadillo repeat protein with four internal modules' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34799 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34799 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; PDLPKLVKLLKSSNEEILLK ALRALAEIASGGNEQIQAVI DAGALPALVQLLSSPNEQIL QEALWALSNIASGGNEQIQA VIDAGALPALVQLLSSPNEQ ILQEALWALSNIASGGNEQI QAVIDAGALPALVQLLSSPN EQILQEALWALSNIASGGNE QIQAVIDAGALPALVQLLSS PNEQILQEALWALSNIASGG NEQKQAVKEAGALEKLEQLQ SHENEKIQKEAQEALEKLQ ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 239 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25174.350 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; for structure determination, the protein was tagged via 3 different Cys mutants at positions Cys18 (M2), Cys-21 (C) and Cys-15 (N) ; _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 . PRO . 34799 1 2 . ASP . 34799 1 3 . LEU . 34799 1 4 . PRO . 34799 1 5 . LYS . 34799 1 6 . LEU . 34799 1 7 . VAL . 34799 1 8 . LYS . 34799 1 9 . LEU . 34799 1 10 . LEU . 34799 1 11 . LYS . 34799 1 12 . SER . 34799 1 13 . SER . 34799 1 14 . ASN . 34799 1 15 . GLU . 34799 1 16 . GLU . 34799 1 17 . ILE . 34799 1 18 . LEU . 34799 1 19 . LEU . 34799 1 20 . LYS . 34799 1 21 . ALA . 34799 1 22 . LEU . 34799 1 23 . ARG . 34799 1 24 . ALA . 34799 1 25 . LEU . 34799 1 26 . ALA . 34799 1 27 . GLU . 34799 1 28 . ILE . 34799 1 29 . ALA . 34799 1 30 . SER . 34799 1 31 . GLY . 34799 1 32 . GLY . 34799 1 33 . ASN . 34799 1 34 . GLU . 34799 1 35 . GLN . 34799 1 36 . ILE . 34799 1 37 . GLN . 34799 1 38 . ALA . 34799 1 39 . VAL . 34799 1 40 . ILE . 34799 1 41 . ASP . 34799 1 42 . ALA . 34799 1 43 . GLY . 34799 1 44 . ALA . 34799 1 45 . LEU . 34799 1 46 . PRO . 34799 1 47 . ALA . 34799 1 48 . LEU . 34799 1 49 . VAL . 34799 1 50 . GLN . 34799 1 51 . LEU . 34799 1 52 . LEU . 34799 1 53 . SER . 34799 1 54 . SER . 34799 1 55 . PRO . 34799 1 56 . ASN . 34799 1 57 . GLU . 34799 1 58 . GLN . 34799 1 59 . ILE . 34799 1 60 . LEU . 34799 1 61 . GLN . 34799 1 62 . GLU . 34799 1 63 . ALA . 34799 1 64 . LEU . 34799 1 65 . TRP . 34799 1 66 . ALA . 34799 1 67 . LEU . 34799 1 68 . SER . 34799 1 69 . ASN . 34799 1 70 . ILE . 34799 1 71 . ALA . 34799 1 72 . SER . 34799 1 73 . GLY . 34799 1 74 . GLY . 34799 1 75 . ASN . 34799 1 76 . GLU . 34799 1 77 . GLN . 34799 1 78 . ILE . 34799 1 79 . GLN . 34799 1 80 . ALA . 34799 1 81 . VAL . 34799 1 82 . ILE . 34799 1 83 . ASP . 34799 1 84 . ALA . 34799 1 85 . GLY . 34799 1 86 . ALA . 34799 1 87 . LEU . 34799 1 88 . PRO . 34799 1 89 . ALA . 34799 1 90 . LEU . 34799 1 91 . VAL . 34799 1 92 . GLN . 34799 1 93 . LEU . 34799 1 94 . LEU . 34799 1 95 . SER . 34799 1 96 . SER . 34799 1 97 . PRO . 34799 1 98 . ASN . 34799 1 99 . GLU . 34799 1 100 . GLN . 34799 1 101 . ILE . 34799 1 102 . LEU . 34799 1 103 . GLN . 34799 1 104 . GLU . 34799 1 105 . ALA . 34799 1 106 . LEU . 34799 1 107 . TRP . 34799 1 108 . ALA . 34799 1 109 . LEU . 34799 1 110 . SER . 34799 1 111 . ASN . 34799 1 112 . ILE . 34799 1 113 . ALA . 34799 1 114 . SER . 34799 1 115 . GLY . 34799 1 116 . GLY . 34799 1 117 . ASN . 34799 1 118 . GLU . 34799 1 119 . GLN . 34799 1 120 . ILE . 34799 1 121 . GLN . 34799 1 122 . ALA . 34799 1 123 . VAL . 34799 1 124 . ILE . 34799 1 125 . ASP . 34799 1 126 . ALA . 34799 1 127 . GLY . 34799 1 128 . ALA . 34799 1 129 . LEU . 34799 1 130 . PRO . 34799 1 131 . ALA . 34799 1 132 . LEU . 34799 1 133 . VAL . 34799 1 134 . GLN . 34799 1 135 . LEU . 34799 1 136 . LEU . 34799 1 137 . SER . 34799 1 138 . SER . 34799 1 139 . PRO . 34799 1 140 . ASN . 34799 1 141 . GLU . 34799 1 142 . GLN . 34799 1 143 . ILE . 34799 1 144 . LEU . 34799 1 145 . GLN . 34799 1 146 . GLU . 34799 1 147 . ALA . 34799 1 148 . LEU . 34799 1 149 . TRP . 34799 1 150 . ALA . 34799 1 151 . LEU . 34799 1 152 . SER . 34799 1 153 . ASN . 34799 1 154 . ILE . 34799 1 155 . ALA . 34799 1 156 . SER . 34799 1 157 . GLY . 34799 1 158 . GLY . 34799 1 159 . ASN . 34799 1 160 . GLU . 34799 1 161 . GLN . 34799 1 162 . ILE . 34799 1 163 . GLN . 34799 1 164 . ALA . 34799 1 165 . VAL . 34799 1 166 . ILE . 34799 1 167 . ASP . 34799 1 168 . ALA . 34799 1 169 . GLY . 34799 1 170 . ALA . 34799 1 171 . LEU . 34799 1 172 . PRO . 34799 1 173 . ALA . 34799 1 174 . LEU . 34799 1 175 . VAL . 34799 1 176 . GLN . 34799 1 177 . LEU . 34799 1 178 . LEU . 34799 1 179 . SER . 34799 1 180 . SER . 34799 1 181 . PRO . 34799 1 182 . ASN . 34799 1 183 . GLU . 34799 1 184 . GLN . 34799 1 185 . ILE . 34799 1 186 . LEU . 34799 1 187 . GLN . 34799 1 188 . GLU . 34799 1 189 . ALA . 34799 1 190 . LEU . 34799 1 191 . TRP . 34799 1 192 . ALA . 34799 1 193 . LEU . 34799 1 194 . SER . 34799 1 195 . ASN . 34799 1 196 . ILE . 34799 1 197 . ALA . 34799 1 198 . SER . 34799 1 199 . GLY . 34799 1 200 . GLY . 34799 1 201 . ASN . 34799 1 202 . GLU . 34799 1 203 . GLN . 34799 1 204 . LYS . 34799 1 205 . GLN . 34799 1 206 . ALA . 34799 1 207 . VAL . 34799 1 208 . LYS . 34799 1 209 . GLU . 34799 1 210 . ALA . 34799 1 211 . GLY . 34799 1 212 . ALA . 34799 1 213 . LEU . 34799 1 214 . GLU . 34799 1 215 . LYS . 34799 1 216 . LEU . 34799 1 217 . GLU . 34799 1 218 . GLN . 34799 1 219 . LEU . 34799 1 220 . GLN . 34799 1 221 . SER . 34799 1 222 . HIS . 34799 1 223 . GLU . 34799 1 224 . ASN . 34799 1 225 . GLU . 34799 1 226 . LYS . 34799 1 227 . ILE . 34799 1 228 . GLN . 34799 1 229 . LYS . 34799 1 230 . GLU . 34799 1 231 . ALA . 34799 1 232 . GLN . 34799 1 233 . GLU . 34799 1 234 . ALA . 34799 1 235 . LEU . 34799 1 236 . GLU . 34799 1 237 . LYS . 34799 1 238 . LEU . 34799 1 239 . GLN . 34799 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 . PRO 1 1 34799 1 . ASP 2 2 34799 1 . LEU 3 3 34799 1 . PRO 4 4 34799 1 . LYS 5 5 34799 1 . LEU 6 6 34799 1 . VAL 7 7 34799 1 . LYS 8 8 34799 1 . LEU 9 9 34799 1 . LEU 10 10 34799 1 . LYS 11 11 34799 1 . SER 12 12 34799 1 . SER 13 13 34799 1 . ASN 14 14 34799 1 . GLU 15 15 34799 1 . GLU 16 16 34799 1 . ILE 17 17 34799 1 . LEU 18 18 34799 1 . LEU 19 19 34799 1 . LYS 20 20 34799 1 . ALA 21 21 34799 1 . LEU 22 22 34799 1 . ARG 23 23 34799 1 . ALA 24 24 34799 1 . LEU 25 25 34799 1 . ALA 26 26 34799 1 . GLU 27 27 34799 1 . ILE 28 28 34799 1 . ALA 29 29 34799 1 . SER 30 30 34799 1 . GLY 31 31 34799 1 . GLY 32 32 34799 1 . ASN 33 33 34799 1 . GLU 34 34 34799 1 . GLN 35 35 34799 1 . ILE 36 36 34799 1 . GLN 37 37 34799 1 . ALA 38 38 34799 1 . VAL 39 39 34799 1 . ILE 40 40 34799 1 . ASP 41 41 34799 1 . ALA 42 42 34799 1 . GLY 43 43 34799 1 . ALA 44 44 34799 1 . LEU 45 45 34799 1 . PRO 46 46 34799 1 . ALA 47 47 34799 1 . LEU 48 48 34799 1 . VAL 49 49 34799 1 . GLN 50 50 34799 1 . LEU 51 51 34799 1 . LEU 52 52 34799 1 . SER 53 53 34799 1 . SER 54 54 34799 1 . PRO 55 55 34799 1 . ASN 56 56 34799 1 . GLU 57 57 34799 1 . GLN 58 58 34799 1 . ILE 59 59 34799 1 . LEU 60 60 34799 1 . GLN 61 61 34799 1 . GLU 62 62 34799 1 . ALA 63 63 34799 1 . LEU 64 64 34799 1 . TRP 65 65 34799 1 . ALA 66 66 34799 1 . LEU 67 67 34799 1 . SER 68 68 34799 1 . ASN 69 69 34799 1 . ILE 70 70 34799 1 . ALA 71 71 34799 1 . SER 72 72 34799 1 . GLY 73 73 34799 1 . GLY 74 74 34799 1 . ASN 75 75 34799 1 . GLU 76 76 34799 1 . GLN 77 77 34799 1 . ILE 78 78 34799 1 . GLN 79 79 34799 1 . ALA 80 80 34799 1 . VAL 81 81 34799 1 . ILE 82 82 34799 1 . ASP 83 83 34799 1 . ALA 84 84 34799 1 . GLY 85 85 34799 1 . ALA 86 86 34799 1 . LEU 87 87 34799 1 . PRO 88 88 34799 1 . ALA 89 89 34799 1 . LEU 90 90 34799 1 . VAL 91 91 34799 1 . GLN 92 92 34799 1 . LEU 93 93 34799 1 . LEU 94 94 34799 1 . SER 95 95 34799 1 . SER 96 96 34799 1 . PRO 97 97 34799 1 . ASN 98 98 34799 1 . GLU 99 99 34799 1 . GLN 100 100 34799 1 . ILE 101 101 34799 1 . LEU 102 102 34799 1 . GLN 103 103 34799 1 . GLU 104 104 34799 1 . ALA 105 105 34799 1 . LEU 106 106 34799 1 . TRP 107 107 34799 1 . ALA 108 108 34799 1 . LEU 109 109 34799 1 . SER 110 110 34799 1 . ASN 111 111 34799 1 . ILE 112 112 34799 1 . ALA 113 113 34799 1 . SER 114 114 34799 1 . GLY 115 115 34799 1 . GLY 116 116 34799 1 . ASN 117 117 34799 1 . GLU 118 118 34799 1 . GLN 119 119 34799 1 . ILE 120 120 34799 1 . GLN 121 121 34799 1 . ALA 122 122 34799 1 . VAL 123 123 34799 1 . ILE 124 124 34799 1 . ASP 125 125 34799 1 . ALA 126 126 34799 1 . GLY 127 127 34799 1 . ALA 128 128 34799 1 . LEU 129 129 34799 1 . PRO 130 130 34799 1 . ALA 131 131 34799 1 . LEU 132 132 34799 1 . VAL 133 133 34799 1 . GLN 134 134 34799 1 . LEU 135 135 34799 1 . LEU 136 136 34799 1 . SER 137 137 34799 1 . SER 138 138 34799 1 . PRO 139 139 34799 1 . ASN 140 140 34799 1 . GLU 141 141 34799 1 . GLN 142 142 34799 1 . ILE 143 143 34799 1 . LEU 144 144 34799 1 . GLN 145 145 34799 1 . GLU 146 146 34799 1 . ALA 147 147 34799 1 . LEU 148 148 34799 1 . TRP 149 149 34799 1 . ALA 150 150 34799 1 . LEU 151 151 34799 1 . SER 152 152 34799 1 . ASN 153 153 34799 1 . ILE 154 154 34799 1 . ALA 155 155 34799 1 . SER 156 156 34799 1 . GLY 157 157 34799 1 . GLY 158 158 34799 1 . ASN 159 159 34799 1 . GLU 160 160 34799 1 . GLN 161 161 34799 1 . ILE 162 162 34799 1 . GLN 163 163 34799 1 . ALA 164 164 34799 1 . VAL 165 165 34799 1 . ILE 166 166 34799 1 . ASP 167 167 34799 1 . ALA 168 168 34799 1 . GLY 169 169 34799 1 . ALA 170 170 34799 1 . LEU 171 171 34799 1 . PRO 172 172 34799 1 . ALA 173 173 34799 1 . LEU 174 174 34799 1 . VAL 175 175 34799 1 . GLN 176 176 34799 1 . LEU 177 177 34799 1 . LEU 178 178 34799 1 . SER 179 179 34799 1 . SER 180 180 34799 1 . PRO 181 181 34799 1 . ASN 182 182 34799 1 . GLU 183 183 34799 1 . GLN 184 184 34799 1 . ILE 185 185 34799 1 . LEU 186 186 34799 1 . GLN 187 187 34799 1 . GLU 188 188 34799 1 . ALA 189 189 34799 1 . LEU 190 190 34799 1 . TRP 191 191 34799 1 . ALA 192 192 34799 1 . LEU 193 193 34799 1 . SER 194 194 34799 1 . ASN 195 195 34799 1 . ILE 196 196 34799 1 . ALA 197 197 34799 1 . SER 198 198 34799 1 . GLY 199 199 34799 1 . GLY 200 200 34799 1 . ASN 201 201 34799 1 . GLU 202 202 34799 1 . GLN 203 203 34799 1 . LYS 204 204 34799 1 . GLN 205 205 34799 1 . ALA 206 206 34799 1 . VAL 207 207 34799 1 . LYS 208 208 34799 1 . GLU 209 209 34799 1 . ALA 210 210 34799 1 . GLY 211 211 34799 1 . ALA 212 212 34799 1 . LEU 213 213 34799 1 . GLU 214 214 34799 1 . LYS 215 215 34799 1 . LEU 216 216 34799 1 . GLU 217 217 34799 1 . GLN 218 218 34799 1 . LEU 219 219 34799 1 . GLN 220 220 34799 1 . SER 221 221 34799 1 . HIS 222 222 34799 1 . GLU 223 223 34799 1 . ASN 224 224 34799 1 . GLU 225 225 34799 1 . LYS 226 226 34799 1 . ILE 227 227 34799 1 . GLN 228 228 34799 1 . LYS 229 229 34799 1 . GLU 230 230 34799 1 . ALA 231 231 34799 1 . GLN 232 232 34799 1 . GLU 233 233 34799 1 . ALA 234 234 34799 1 . LEU 235 235 34799 1 . GLU 236 236 34799 1 . LYS 237 237 34799 1 . LEU 238 238 34799 1 . GLN 239 239 34799 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 34799 _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_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 34799 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 34799 _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_1 . 'recombinant technology' "Escherichia coli 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 34799 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34799 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '150 uM [U-100% 15N] A4M4C, 20 mM Na2HPO4, 0.2 mM TCEP, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 A4M4C '[U-100% 15N]' . . 1 $entity_1 . . 150 . . uM 10 . . . 34799 1 2 Na2HPO4 none . . . . . . 20 . . mM 2 . . . 34799 1 3 TCEP none . . . . . . 0.2 . . mM 0.02 . . . 34799 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34799 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '150 uM [U-100% 15N] A4M4C, 20 mM Na2HPO4, 0.2 mM TCEP, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 A4M4C '[U-100% 15N]' . . 1 $entity_1 . . 150 . . uM 10 . . . 34799 2 2 Na2HPO4 none . . . . . . 20 . . mM 2 . . . 34799 2 3 TCEP none . . . . . . 0.2 . . mM 0.02 . . . 34799 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34799 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '150 uM [U-100% 15N] A4M4C, 20 mM Na2HPO4, 0.2 mM TCEP, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 A4M4C '[U-100% 15N]' . . 1 $entity_1 . . 150 . . uM 10 . . . 34799 3 2 Na2HPO4 none . . . . . . 20 . . mM 2 . . . 34799 3 3 TCEP none . . . . . . 0.2 . . mM 0.02 . . . 34799 3 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 34799 _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' 120 10 mM 34799 1 pH 7.0 0.1 pH 34799 1 pressure 1 0.1 bar 34799 1 temperature 293 0.5 K 34799 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34799 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34799 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34799 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34799 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.18.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34799 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34799 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34799 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34799 3 'Keller und Wuethrich' . . 34799 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34799 3 'peak picking' . 34799 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34799 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34799 _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 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 600 . . . 34799 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 34799 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34799 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34799 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34799 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34799 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34799 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34799 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34799 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'chemical shift list at 280 K.' 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 0.0 internal direct 1.0 . . . . . 34799 1 N 15 TMSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132900 . . . . . 34799 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34799 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.004 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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' . . . 34799 1 2 '2D 1H-15N HSQC' . . . 34799 1 3 '2D 1H-15N HSQC' . . . 34799 1 4 '3D 1H-15N NOESY' . . . 34799 1 5 '3D 1H-15N NOESY' . . . 34799 1 6 '3D 1H-15N NOESY' . . . 34799 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 PRO N N 15 132.413 0.000 . 1 . . . . A 1 PRO N . 34799 1 2 . 1 . 1 2 2 ASP N N 15 132.457 0.000 . 1 . . . . A 2 ASP N . 34799 1 3 . 1 . 1 3 3 LEU H H 1 8.623 0.000 . 1 . . . . A 3 LEU H . 34799 1 4 . 1 . 1 3 3 LEU N N 15 124.244 0.000 . 1 . . . . A 3 LEU N . 34799 1 5 . 1 . 1 4 4 PRO N N 15 132.466 0.000 . 1 . . . . A 4 PRO N . 34799 1 6 . 1 . 1 5 5 LYS H H 1 7.463 0.000 . 1 . . . . A 5 LYS H . 34799 1 7 . 1 . 1 5 5 LYS N N 15 117.481 0.000 . 1 . . . . A 5 LYS N . 34799 1 8 . 1 . 1 6 6 LEU H H 1 7.902 0.000 . 1 . . . . A 6 LEU H . 34799 1 9 . 1 . 1 6 6 LEU N N 15 119.728 0.000 . 1 . . . . A 6 LEU N . 34799 1 10 . 1 . 1 7 7 VAL H H 1 8.235 0.000 . 1 . . . . A 7 VAL H . 34799 1 11 . 1 . 1 7 7 VAL N N 15 115.560 0.000 . 1 . . . . A 7 VAL N . 34799 1 12 . 1 . 1 8 8 LYS H H 1 7.699 0.000 . 1 . . . . A 8 LYS H . 34799 1 13 . 1 . 1 8 8 LYS N N 15 120.844 0.000 . 1 . . . . A 8 LYS N . 34799 1 14 . 1 . 1 9 9 LEU H H 1 7.893 0.000 . 1 . . . . A 9 LEU H . 34799 1 15 . 1 . 1 9 9 LEU N N 15 120.429 0.000 . 1 . . . . A 9 LEU N . 34799 1 16 . 1 . 1 10 10 LEU H H 1 7.501 0.000 . 1 . . . . A 10 LEU H . 34799 1 17 . 1 . 1 10 10 LEU N N 15 116.088 0.000 . 1 . . . . A 10 LEU N . 34799 1 18 . 1 . 1 11 11 LYS H H 1 7.242 0.000 . 1 . . . . A 11 LYS H . 34799 1 19 . 1 . 1 11 11 LYS N N 15 114.937 0.000 . 1 . . . . A 11 LYS N . 34799 1 20 . 1 . 1 12 12 SER H H 1 7.583 0.000 . 1 . . . . A 12 SER H . 34799 1 21 . 1 . 1 12 12 SER N N 15 115.349 0.000 . 1 . . . . A 12 SER N . 34799 1 22 . 1 . 1 14 14 ASN N N 15 132.633 0.000 . 1 . . . . A 14 ASN N . 34799 1 23 . 1 . 1 15 15 GLU H H 1 9.136 0.000 . 1 . . . . A 15 GLU H . 34799 1 24 . 1 . 1 15 15 GLU N N 15 127.135 0.000 . 1 . . . . A 15 GLU N . 34799 1 25 . 1 . 1 16 16 GLU H H 1 8.209 0.000 . 1 . . . . A 16 GLU H . 34799 1 26 . 1 . 1 16 16 GLU N N 15 118.195 0.000 . 1 . . . . A 16 GLU N . 34799 1 27 . 1 . 1 17 17 ILE H H 1 7.311 0.000 . 1 . . . . A 17 ILE H . 34799 1 28 . 1 . 1 17 17 ILE N N 15 120.246 0.000 . 1 . . . . A 17 ILE N . 34799 1 29 . 1 . 1 18 18 LEU H H 1 8.736 0.000 . 1 . . . . A 18 LEU H . 34799 1 30 . 1 . 1 18 18 LEU N N 15 118.964 0.000 . 1 . . . . A 18 LEU N . 34799 1 31 . 1 . 1 19 19 LEU H H 1 8.205 0.000 . 1 . . . . A 19 LEU H . 34799 1 32 . 1 . 1 19 19 LEU N N 15 122.256 0.000 . 1 . . . . A 19 LEU N . 34799 1 33 . 1 . 1 20 20 LYS H H 1 7.568 0.000 . 1 . . . . A 20 LYS H . 34799 1 34 . 1 . 1 20 20 LYS N N 15 118.207 0.000 . 1 . . . . A 20 LYS N . 34799 1 35 . 1 . 1 21 21 ALA H H 1 8.186 0.000 . 1 . . . . A 21 ALA H . 34799 1 36 . 1 . 1 21 21 ALA N N 15 124.207 0.000 . 1 . . . . A 21 ALA N . 34799 1 37 . 1 . 1 22 22 LEU H H 1 8.849 0.000 . 1 . . . . A 22 LEU H . 34799 1 38 . 1 . 1 22 22 LEU N N 15 118.217 0.000 . 1 . . . . A 22 LEU N . 34799 1 39 . 1 . 1 23 23 ARG H H 1 8.105 0.000 . 1 . . . . A 23 ARG H . 34799 1 40 . 1 . 1 23 23 ARG N N 15 118.344 0.000 . 1 . . . . A 23 ARG N . 34799 1 41 . 1 . 1 24 24 ALA H H 1 7.704 0.000 . 1 . . . . A 24 ALA H . 34799 1 42 . 1 . 1 24 24 ALA N N 15 121.276 0.000 . 1 . . . . A 24 ALA N . 34799 1 43 . 1 . 1 25 25 LEU H H 1 8.161 0.000 . 1 . . . . A 25 LEU H . 34799 1 44 . 1 . 1 25 25 LEU N N 15 119.240 0.000 . 1 . . . . A 25 LEU N . 34799 1 45 . 1 . 1 26 26 ALA H H 1 8.619 0.000 . 1 . . . . A 26 ALA H . 34799 1 46 . 1 . 1 26 26 ALA N N 15 121.670 0.000 . 1 . . . . A 26 ALA N . 34799 1 47 . 1 . 1 27 27 GLU H H 1 7.874 0.000 . 1 . . . . A 27 GLU H . 34799 1 48 . 1 . 1 27 27 GLU N N 15 116.835 0.000 . 1 . . . . A 27 GLU N . 34799 1 49 . 1 . 1 28 28 ILE N N 15 132.616 0.000 . 1 . . . . A 28 ILE N . 34799 1 50 . 1 . 1 29 29 ALA H H 1 8.193 0.000 . 1 . . . . A 29 ALA H . 34799 1 51 . 1 . 1 29 29 ALA N N 15 118.913 0.000 . 1 . . . . A 29 ALA N . 34799 1 52 . 1 . 1 30 30 SER H H 1 7.488 0.000 . 1 . . . . A 30 SER H . 34799 1 53 . 1 . 1 30 30 SER N N 15 111.231 0.000 . 1 . . . . A 30 SER N . 34799 1 54 . 1 . 1 31 31 GLY H H 1 7.832 0.000 . 1 . . . . A 31 GLY H . 34799 1 55 . 1 . 1 31 31 GLY N N 15 109.029 0.000 . 1 . . . . A 31 GLY N . 34799 1 56 . 1 . 1 32 32 GLY H H 1 8.072 0.000 . 1 . . . . A 32 GLY H . 34799 1 57 . 1 . 1 32 32 GLY N N 15 107.665 0.000 . 1 . . . . A 32 GLY N . 34799 1 58 . 1 . 1 35 35 GLN H H 1 7.910 0.000 . 1 . . . . A 35 GLN H . 34799 1 59 . 1 . 1 35 35 GLN N N 15 120.614 0.000 . 1 . . . . A 35 GLN N . 34799 1 60 . 1 . 1 36 36 ILE H H 1 8.241 0.000 . 1 . . . . A 36 ILE H . 34799 1 61 . 1 . 1 36 36 ILE N N 15 119.402 0.000 . 1 . . . . A 36 ILE N . 34799 1 62 . 1 . 1 37 37 GLN H H 1 8.246 0.000 . 1 . . . . A 37 GLN H . 34799 1 63 . 1 . 1 37 37 GLN N N 15 118.105 0.000 . 1 . . . . A 37 GLN N . 34799 1 64 . 1 . 1 38 38 ALA H H 1 7.585 0.000 . 1 . . . . A 38 ALA H . 34799 1 65 . 1 . 1 38 38 ALA N N 15 120.745 0.000 . 1 . . . . A 38 ALA N . 34799 1 66 . 1 . 1 39 39 VAL H H 1 7.724 0.000 . 1 . . . . A 39 VAL H . 34799 1 67 . 1 . 1 39 39 VAL N N 15 119.238 0.000 . 1 . . . . A 39 VAL N . 34799 1 68 . 1 . 1 40 40 ILE H H 1 8.115 0.000 . 1 . . . . A 40 ILE H . 34799 1 69 . 1 . 1 40 40 ILE N N 15 120.478 0.000 . 1 . . . . A 40 ILE N . 34799 1 70 . 1 . 1 41 41 ASP H H 1 9.572 0.000 . 1 . . . . A 41 ASP H . 34799 1 71 . 1 . 1 41 41 ASP N N 15 123.728 0.000 . 1 . . . . A 41 ASP N . 34799 1 72 . 1 . 1 42 42 ALA H H 1 7.543 0.000 . 1 . . . . A 42 ALA H . 34799 1 73 . 1 . 1 42 42 ALA N N 15 119.711 0.000 . 1 . . . . A 42 ALA N . 34799 1 74 . 1 . 1 43 43 GLY H H 1 8.131 0.000 . 1 . . . . A 43 GLY H . 34799 1 75 . 1 . 1 43 43 GLY N N 15 104.355 0.000 . 1 . . . . A 43 GLY N . 34799 1 76 . 1 . 1 44 44 ALA H H 1 7.211 0.000 . 1 . . . . A 44 ALA H . 34799 1 77 . 1 . 1 44 44 ALA N N 15 117.409 0.000 . 1 . . . . A 44 ALA N . 34799 1 78 . 1 . 1 45 45 LEU H H 1 9.301 0.000 . 1 . . . . A 45 LEU H . 34799 1 79 . 1 . 1 45 45 LEU N N 15 113.609 0.000 . 1 . . . . A 45 LEU N . 34799 1 80 . 1 . 1 47 47 ALA H H 1 6.840 0.000 . 1 . . . . A 47 ALA H . 34799 1 81 . 1 . 1 47 47 ALA N N 15 118.338 0.000 . 1 . . . . A 47 ALA N . 34799 1 82 . 1 . 1 48 48 LEU H H 1 8.079 0.000 . 1 . . . . A 48 LEU H . 34799 1 83 . 1 . 1 48 48 LEU N N 15 117.679 0.000 . 1 . . . . A 48 LEU N . 34799 1 84 . 1 . 1 49 49 VAL H H 1 8.400 0.000 . 1 . . . . A 49 VAL H . 34799 1 85 . 1 . 1 49 49 VAL N N 15 115.811 0.000 . 1 . . . . A 49 VAL N . 34799 1 86 . 1 . 1 50 50 GLN H H 1 7.799 0.000 . 1 . . . . A 50 GLN H . 34799 1 87 . 1 . 1 50 50 GLN N N 15 120.631 0.000 . 1 . . . . A 50 GLN N . 34799 1 88 . 1 . 1 51 51 LEU H H 1 7.773 0.000 . 1 . . . . A 51 LEU H . 34799 1 89 . 1 . 1 51 51 LEU N N 15 119.940 0.000 . 1 . . . . A 51 LEU N . 34799 1 90 . 1 . 1 52 52 LEU H H 1 7.486 0.000 . 1 . . . . A 52 LEU H . 34799 1 91 . 1 . 1 52 52 LEU N N 15 116.471 0.000 . 1 . . . . A 52 LEU N . 34799 1 92 . 1 . 1 53 53 SER H H 1 7.499 0.000 . 1 . . . . A 53 SER H . 34799 1 93 . 1 . 1 53 53 SER N N 15 111.292 0.000 . 1 . . . . A 53 SER N . 34799 1 94 . 1 . 1 54 54 SER H H 1 7.611 0.000 . 1 . . . . A 54 SER H . 34799 1 95 . 1 . 1 54 54 SER N N 15 118.700 0.000 . 1 . . . . A 54 SER N . 34799 1 96 . 1 . 1 56 56 ASN H H 1 8.317 0.000 . 1 . . . . A 56 ASN H . 34799 1 97 . 1 . 1 56 56 ASN N N 15 120.569 0.000 . 1 . . . . A 56 ASN N . 34799 1 98 . 1 . 1 57 57 GLU H H 1 9.070 0.000 . 1 . . . . A 57 GLU H . 34799 1 99 . 1 . 1 57 57 GLU N N 15 126.188 0.000 . 1 . . . . A 57 GLU N . 34799 1 100 . 1 . 1 58 58 GLN H H 1 8.263 0.000 . 1 . . . . A 58 GLN H . 34799 1 101 . 1 . 1 58 58 GLN N N 15 119.303 0.000 . 1 . . . . A 58 GLN N . 34799 1 102 . 1 . 1 59 59 ILE H H 1 7.453 0.000 . 1 . . . . A 59 ILE H . 34799 1 103 . 1 . 1 59 59 ILE N N 15 120.888 0.000 . 1 . . . . A 59 ILE N . 34799 1 104 . 1 . 1 60 60 LEU H H 1 8.237 0.000 . 1 . . . . A 60 LEU H . 34799 1 105 . 1 . 1 60 60 LEU N N 15 120.025 0.000 . 1 . . . . A 60 LEU N . 34799 1 106 . 1 . 1 61 61 GLN H H 1 8.030 0.000 . 1 . . . . A 61 GLN H . 34799 1 107 . 1 . 1 61 61 GLN N N 15 114.839 0.000 . 1 . . . . A 61 GLN N . 34799 1 108 . 1 . 1 62 62 GLU H H 1 7.891 0.000 . 1 . . . . A 62 GLU H . 34799 1 109 . 1 . 1 62 62 GLU N N 15 119.069 0.000 . 1 . . . . A 62 GLU N . 34799 1 110 . 1 . 1 63 63 ALA H H 1 8.876 0.000 . 1 . . . . A 63 ALA H . 34799 1 111 . 1 . 1 63 63 ALA N N 15 122.659 0.000 . 1 . . . . A 63 ALA N . 34799 1 112 . 1 . 1 64 64 LEU H H 1 8.450 0.000 . 1 . . . . A 64 LEU H . 34799 1 113 . 1 . 1 64 64 LEU N N 15 117.695 0.000 . 1 . . . . A 64 LEU N . 34799 1 114 . 1 . 1 65 65 TRP H H 1 8.209 0.000 . 1 . . . . A 65 TRP H . 34799 1 115 . 1 . 1 65 65 TRP N N 15 122.267 0.000 . 1 . . . . A 65 TRP N . 34799 1 116 . 1 . 1 66 66 ALA H H 1 8.083 0.000 . 1 . . . . A 66 ALA H . 34799 1 117 . 1 . 1 66 66 ALA N N 15 119.926 0.000 . 1 . . . . A 66 ALA N . 34799 1 118 . 1 . 1 67 67 LEU H H 1 8.491 0.000 . 1 . . . . A 67 LEU H . 34799 1 119 . 1 . 1 67 67 LEU N N 15 117.136 0.000 . 1 . . . . A 67 LEU N . 34799 1 120 . 1 . 1 68 68 SER H H 1 8.985 0.000 . 1 . . . . A 68 SER H . 34799 1 121 . 1 . 1 68 68 SER N N 15 114.511 0.000 . 1 . . . . A 68 SER N . 34799 1 122 . 1 . 1 69 69 ASN H H 1 7.724 0.000 . 1 . . . . A 69 ASN H . 34799 1 123 . 1 . 1 69 69 ASN N N 15 118.197 0.000 . 1 . . . . A 69 ASN N . 34799 1 124 . 1 . 1 70 70 ILE H H 1 8.437 0.000 . 1 . . . . A 70 ILE H . 34799 1 125 . 1 . 1 70 70 ILE N N 15 125.440 0.000 . 1 . . . . A 70 ILE N . 34799 1 126 . 1 . 1 71 71 ALA H H 1 8.151 0.000 . 1 . . . . A 71 ALA H . 34799 1 127 . 1 . 1 71 71 ALA N N 15 116.641 0.000 . 1 . . . . A 71 ALA N . 34799 1 128 . 1 . 1 72 72 SER H H 1 7.476 0.000 . 1 . . . . A 72 SER H . 34799 1 129 . 1 . 1 72 72 SER N N 15 112.085 0.000 . 1 . . . . A 72 SER N . 34799 1 130 . 1 . 1 73 73 GLY H H 1 7.684 0.000 . 1 . . . . A 73 GLY H . 34799 1 131 . 1 . 1 73 73 GLY N N 15 109.990 0.000 . 1 . . . . A 73 GLY N . 34799 1 132 . 1 . 1 74 74 GLY H H 1 8.320 0.000 . 1 . . . . A 74 GLY H . 34799 1 133 . 1 . 1 74 74 GLY N N 15 104.818 0.000 . 1 . . . . A 74 GLY N . 34799 1 134 . 1 . 1 75 75 ASN H H 1 9.138 0.000 . 1 . . . . A 75 ASN H . 34799 1 135 . 1 . 1 75 75 ASN N N 15 120.120 0.000 . 1 . . . . A 75 ASN N . 34799 1 136 . 1 . 1 76 76 GLU H H 1 9.519 0.000 . 1 . . . . A 76 GLU H . 34799 1 137 . 1 . 1 76 76 GLU N N 15 118.466 0.000 . 1 . . . . A 76 GLU N . 34799 1 138 . 1 . 1 77 77 GLN H H 1 7.150 0.000 . 1 . . . . A 77 GLN H . 34799 1 139 . 1 . 1 77 77 GLN N N 15 121.144 0.000 . 1 . . . . A 77 GLN N . 34799 1 140 . 1 . 1 78 78 ILE H H 1 8.241 0.000 . 1 . . . . A 78 ILE H . 34799 1 141 . 1 . 1 78 78 ILE N N 15 119.408 0.000 . 1 . . . . A 78 ILE N . 34799 1 142 . 1 . 1 79 79 GLN H H 1 8.676 0.000 . 1 . . . . A 79 GLN H . 34799 1 143 . 1 . 1 79 79 GLN N N 15 118.422 0.000 . 1 . . . . A 79 GLN N . 34799 1 144 . 1 . 1 80 80 ALA H H 1 7.386 0.000 . 1 . . . . A 80 ALA H . 34799 1 145 . 1 . 1 80 80 ALA N N 15 120.710 0.000 . 1 . . . . A 80 ALA N . 34799 1 146 . 1 . 1 81 81 VAL H H 1 7.725 0.000 . 1 . . . . A 81 VAL H . 34799 1 147 . 1 . 1 81 81 VAL N N 15 119.236 0.000 . 1 . . . . A 81 VAL N . 34799 1 148 . 1 . 1 82 82 ILE H H 1 8.114 0.000 . 1 . . . . A 82 ILE H . 34799 1 149 . 1 . 1 82 82 ILE N N 15 120.462 0.000 . 1 . . . . A 82 ILE N . 34799 1 150 . 1 . 1 83 83 ASP H H 1 9.580 0.000 . 1 . . . . A 83 ASP H . 34799 1 151 . 1 . 1 83 83 ASP N N 15 123.636 0.000 . 1 . . . . A 83 ASP N . 34799 1 152 . 1 . 1 84 84 ALA H H 1 7.542 0.000 . 1 . . . . A 84 ALA H . 34799 1 153 . 1 . 1 84 84 ALA N N 15 119.761 0.000 . 1 . . . . A 84 ALA N . 34799 1 154 . 1 . 1 85 85 GLY H H 1 8.130 0.000 . 1 . . . . A 85 GLY H . 34799 1 155 . 1 . 1 85 85 GLY N N 15 104.342 0.000 . 1 . . . . A 85 GLY N . 34799 1 156 . 1 . 1 86 86 ALA H H 1 7.056 0.000 . 1 . . . . A 86 ALA H . 34799 1 157 . 1 . 1 86 86 ALA N N 15 117.209 0.000 . 1 . . . . A 86 ALA N . 34799 1 158 . 1 . 1 87 87 LEU H H 1 9.365 0.000 . 1 . . . . A 87 LEU H . 34799 1 159 . 1 . 1 87 87 LEU N N 15 113.385 0.000 . 1 . . . . A 87 LEU N . 34799 1 160 . 1 . 1 89 89 ALA H H 1 6.843 0.000 . 1 . . . . A 89 ALA H . 34799 1 161 . 1 . 1 89 89 ALA N N 15 118.337 0.000 . 1 . . . . A 89 ALA N . 34799 1 162 . 1 . 1 90 90 LEU H H 1 8.187 0.000 . 1 . . . . A 90 LEU H . 34799 1 163 . 1 . 1 90 90 LEU N N 15 118.192 0.000 . 1 . . . . A 90 LEU N . 34799 1 164 . 1 . 1 91 91 VAL H H 1 8.384 0.000 . 1 . . . . A 91 VAL H . 34799 1 165 . 1 . 1 91 91 VAL N N 15 115.789 0.000 . 1 . . . . A 91 VAL N . 34799 1 166 . 1 . 1 92 92 GLN H H 1 7.973 0.000 . 1 . . . . A 92 GLN H . 34799 1 167 . 1 . 1 92 92 GLN N N 15 130.992 0.000 . 1 . . . . A 92 GLN N . 34799 1 168 . 1 . 1 93 93 LEU H H 1 7.829 0.000 . 1 . . . . A 93 LEU H . 34799 1 169 . 1 . 1 93 93 LEU N N 15 130.596 0.000 . 1 . . . . A 93 LEU N . 34799 1 170 . 1 . 1 94 94 LEU H H 1 7.485 0.000 . 1 . . . . A 94 LEU H . 34799 1 171 . 1 . 1 94 94 LEU N N 15 132.530 0.000 . 1 . . . . A 94 LEU N . 34799 1 172 . 1 . 1 95 95 SER H H 1 6.893 0.000 . 1 . . . . A 95 SER H . 34799 1 173 . 1 . 1 95 95 SER N N 15 111.734 0.000 . 1 . . . . A 95 SER N . 34799 1 174 . 1 . 1 98 98 ASN H H 1 8.314 0.000 . 1 . . . . A 98 ASN H . 34799 1 175 . 1 . 1 98 98 ASN N N 15 120.591 0.000 . 1 . . . . A 98 ASN N . 34799 1 176 . 1 . 1 99 99 GLU H H 1 9.046 0.000 . 1 . . . . A 99 GLU H . 34799 1 177 . 1 . 1 99 99 GLU N N 15 126.160 0.000 . 1 . . . . A 99 GLU N . 34799 1 178 . 1 . 1 100 100 GLN H H 1 8.249 0.000 . 1 . . . . A 100 GLN H . 34799 1 179 . 1 . 1 100 100 GLN N N 15 119.354 0.000 . 1 . . . . A 100 GLN N . 34799 1 180 . 1 . 1 101 101 ILE H H 1 7.453 0.000 . 1 . . . . A 101 ILE H . 34799 1 181 . 1 . 1 101 101 ILE N N 15 120.869 0.000 . 1 . . . . A 101 ILE N . 34799 1 182 . 1 . 1 102 102 LEU H H 1 8.233 0.000 . 1 . . . . A 102 LEU H . 34799 1 183 . 1 . 1 102 102 LEU N N 15 120.039 0.000 . 1 . . . . A 102 LEU N . 34799 1 184 . 1 . 1 103 103 GLN H H 1 8.021 0.000 . 1 . . . . A 103 GLN H . 34799 1 185 . 1 . 1 103 103 GLN N N 15 114.804 0.000 . 1 . . . . A 103 GLN N . 34799 1 186 . 1 . 1 104 104 GLU H H 1 7.894 0.000 . 1 . . . . A 104 GLU H . 34799 1 187 . 1 . 1 104 104 GLU N N 15 119.205 0.000 . 1 . . . . A 104 GLU N . 34799 1 188 . 1 . 1 105 105 ALA H H 1 8.890 0.000 . 1 . . . . A 105 ALA H . 34799 1 189 . 1 . 1 105 105 ALA N N 15 123.003 0.000 . 1 . . . . A 105 ALA N . 34799 1 190 . 1 . 1 106 106 LEU H H 1 8.449 0.000 . 1 . . . . A 106 LEU H . 34799 1 191 . 1 . 1 106 106 LEU N N 15 117.795 0.000 . 1 . . . . A 106 LEU N . 34799 1 192 . 1 . 1 107 107 TRP H H 1 8.207 0.000 . 1 . . . . A 107 TRP H . 34799 1 193 . 1 . 1 107 107 TRP N N 15 122.290 0.000 . 1 . . . . A 107 TRP N . 34799 1 194 . 1 . 1 108 108 ALA H H 1 8.085 0.000 . 1 . . . . A 108 ALA H . 34799 1 195 . 1 . 1 108 108 ALA N N 15 119.968 0.000 . 1 . . . . A 108 ALA N . 34799 1 196 . 1 . 1 109 109 LEU H H 1 8.450 0.000 . 1 . . . . A 109 LEU H . 34799 1 197 . 1 . 1 109 109 LEU N N 15 117.073 0.000 . 1 . . . . A 109 LEU N . 34799 1 198 . 1 . 1 110 110 SER H H 1 8.982 0.000 . 1 . . . . A 110 SER H . 34799 1 199 . 1 . 1 110 110 SER N N 15 114.504 0.000 . 1 . . . . A 110 SER N . 34799 1 200 . 1 . 1 111 111 ASN H H 1 7.902 0.000 . 1 . . . . A 111 ASN H . 34799 1 201 . 1 . 1 111 111 ASN N N 15 119.553 0.000 . 1 . . . . A 111 ASN N . 34799 1 202 . 1 . 1 112 112 ILE H H 1 8.436 0.000 . 1 . . . . A 112 ILE H . 34799 1 203 . 1 . 1 112 112 ILE N N 15 125.412 0.000 . 1 . . . . A 112 ILE N . 34799 1 204 . 1 . 1 113 113 ALA H H 1 8.054 0.000 . 1 . . . . A 113 ALA H . 34799 1 205 . 1 . 1 113 113 ALA N N 15 116.230 0.000 . 1 . . . . A 113 ALA N . 34799 1 206 . 1 . 1 114 114 SER H H 1 7.478 0.000 . 1 . . . . A 114 SER H . 34799 1 207 . 1 . 1 114 114 SER N N 15 112.095 0.000 . 1 . . . . A 114 SER N . 34799 1 208 . 1 . 1 115 115 GLY H H 1 7.534 0.000 . 1 . . . . A 115 GLY H . 34799 1 209 . 1 . 1 115 115 GLY N N 15 108.515 0.000 . 1 . . . . A 115 GLY N . 34799 1 210 . 1 . 1 116 116 GLY H H 1 8.285 0.000 . 1 . . . . A 116 GLY H . 34799 1 211 . 1 . 1 116 116 GLY N N 15 105.353 0.000 . 1 . . . . A 116 GLY N . 34799 1 212 . 1 . 1 118 118 GLU H H 1 9.522 0.000 . 1 . . . . A 118 GLU H . 34799 1 213 . 1 . 1 118 118 GLU N N 15 118.584 0.000 . 1 . . . . A 118 GLU N . 34799 1 214 . 1 . 1 119 119 GLN H H 1 7.271 0.000 . 1 . . . . A 119 GLN H . 34799 1 215 . 1 . 1 119 119 GLN N N 15 121.824 0.000 . 1 . . . . A 119 GLN N . 34799 1 216 . 1 . 1 120 120 ILE H H 1 8.237 0.000 . 1 . . . . A 120 ILE H . 34799 1 217 . 1 . 1 120 120 ILE N N 15 119.393 0.000 . 1 . . . . A 120 ILE N . 34799 1 218 . 1 . 1 121 121 GLN H H 1 8.678 0.000 . 1 . . . . A 121 GLN H . 34799 1 219 . 1 . 1 121 121 GLN N N 15 118.438 0.000 . 1 . . . . A 121 GLN N . 34799 1 220 . 1 . 1 122 122 ALA H H 1 7.382 0.000 . 1 . . . . A 122 ALA H . 34799 1 221 . 1 . 1 122 122 ALA N N 15 120.724 0.000 . 1 . . . . A 122 ALA N . 34799 1 222 . 1 . 1 123 123 VAL H H 1 7.726 0.000 . 1 . . . . A 123 VAL H . 34799 1 223 . 1 . 1 123 123 VAL N N 15 119.247 0.000 . 1 . . . . A 123 VAL N . 34799 1 224 . 1 . 1 124 124 ILE H H 1 7.829 0.000 . 1 . . . . A 124 ILE H . 34799 1 225 . 1 . 1 124 124 ILE N N 15 119.851 0.000 . 1 . . . . A 124 ILE N . 34799 1 226 . 1 . 1 125 125 ASP H H 1 9.567 0.000 . 1 . . . . A 125 ASP H . 34799 1 227 . 1 . 1 125 125 ASP N N 15 123.604 0.000 . 1 . . . . A 125 ASP N . 34799 1 228 . 1 . 1 126 126 ALA H H 1 7.553 0.000 . 1 . . . . A 126 ALA H . 34799 1 229 . 1 . 1 126 126 ALA N N 15 119.809 0.000 . 1 . . . . A 126 ALA N . 34799 1 230 . 1 . 1 127 127 GLY H H 1 8.129 0.000 . 1 . . . . A 127 GLY H . 34799 1 231 . 1 . 1 127 127 GLY N N 15 104.326 0.000 . 1 . . . . A 127 GLY N . 34799 1 232 . 1 . 1 128 128 ALA H H 1 6.999 0.000 . 1 . . . . A 128 ALA H . 34799 1 233 . 1 . 1 128 128 ALA N N 15 117.019 0.000 . 1 . . . . A 128 ALA N . 34799 1 234 . 1 . 1 129 129 LEU H H 1 9.322 0.000 . 1 . . . . A 129 LEU H . 34799 1 235 . 1 . 1 129 129 LEU N N 15 113.529 0.000 . 1 . . . . A 129 LEU N . 34799 1 236 . 1 . 1 131 131 ALA H H 1 6.923 0.000 . 1 . . . . A 131 ALA H . 34799 1 237 . 1 . 1 131 131 ALA N N 15 118.490 0.000 . 1 . . . . A 131 ALA N . 34799 1 238 . 1 . 1 132 132 LEU H H 1 8.082 0.000 . 1 . . . . A 132 LEU H . 34799 1 239 . 1 . 1 132 132 LEU N N 15 117.575 0.000 . 1 . . . . A 132 LEU N . 34799 1 240 . 1 . 1 133 133 VAL H H 1 8.408 0.000 . 1 . . . . A 133 VAL H . 34799 1 241 . 1 . 1 133 133 VAL N N 15 115.733 0.000 . 1 . . . . A 133 VAL N . 34799 1 242 . 1 . 1 134 134 GLN H H 1 7.756 0.000 . 1 . . . . A 134 GLN H . 34799 1 243 . 1 . 1 134 134 GLN N N 15 119.315 0.000 . 1 . . . . A 134 GLN N . 34799 1 244 . 1 . 1 136 136 LEU H H 1 7.452 0.000 . 1 . . . . A 136 LEU H . 34799 1 245 . 1 . 1 136 136 LEU N N 15 132.624 0.000 . 1 . . . . A 136 LEU N . 34799 1 246 . 1 . 1 137 137 SER H H 1 6.921 0.000 . 1 . . . . A 137 SER H . 34799 1 247 . 1 . 1 137 137 SER N N 15 111.453 0.000 . 1 . . . . A 137 SER N . 34799 1 248 . 1 . 1 138 138 SER H H 1 7.574 0.000 . 1 . . . . A 138 SER H . 34799 1 249 . 1 . 1 138 138 SER N N 15 118.315 0.000 . 1 . . . . A 138 SER N . 34799 1 250 . 1 . 1 139 139 PRO N N 15 119.568 0.000 . 1 . . . . A 139 PRO N . 34799 1 251 . 1 . 1 140 140 ASN H H 1 8.316 0.000 . 1 . . . . A 140 ASN H . 34799 1 252 . 1 . 1 140 140 ASN N N 15 120.579 0.000 . 1 . . . . A 140 ASN N . 34799 1 253 . 1 . 1 141 141 GLU H H 1 9.046 0.000 . 1 . . . . A 141 GLU H . 34799 1 254 . 1 . 1 141 141 GLU N N 15 126.043 0.000 . 1 . . . . A 141 GLU N . 34799 1 255 . 1 . 1 142 142 GLN H H 1 8.271 0.000 . 1 . . . . A 142 GLN H . 34799 1 256 . 1 . 1 142 142 GLN N N 15 119.409 0.000 . 1 . . . . A 142 GLN N . 34799 1 257 . 1 . 1 143 143 ILE H H 1 7.455 0.000 . 1 . . . . A 143 ILE H . 34799 1 258 . 1 . 1 143 143 ILE N N 15 120.893 0.000 . 1 . . . . A 143 ILE N . 34799 1 259 . 1 . 1 144 144 LEU H H 1 8.239 0.000 . 1 . . . . A 144 LEU H . 34799 1 260 . 1 . 1 144 144 LEU N N 15 120.004 0.000 . 1 . . . . A 144 LEU N . 34799 1 261 . 1 . 1 145 145 GLN H H 1 7.978 0.000 . 1 . . . . A 145 GLN H . 34799 1 262 . 1 . 1 145 145 GLN N N 15 115.298 0.000 . 1 . . . . A 145 GLN N . 34799 1 263 . 1 . 1 146 146 GLU H H 1 7.898 0.000 . 1 . . . . A 146 GLU H . 34799 1 264 . 1 . 1 146 146 GLU N N 15 119.203 0.000 . 1 . . . . A 146 GLU N . 34799 1 265 . 1 . 1 147 147 ALA H H 1 8.843 0.000 . 1 . . . . A 147 ALA H . 34799 1 266 . 1 . 1 147 147 ALA N N 15 122.970 0.000 . 1 . . . . A 147 ALA N . 34799 1 267 . 1 . 1 148 148 LEU H H 1 8.398 0.000 . 1 . . . . A 148 LEU H . 34799 1 268 . 1 . 1 148 148 LEU N N 15 119.285 0.000 . 1 . . . . A 148 LEU N . 34799 1 269 . 1 . 1 149 149 TRP H H 1 8.202 0.000 . 1 . . . . A 149 TRP H . 34799 1 270 . 1 . 1 149 149 TRP N N 15 122.258 0.000 . 1 . . . . A 149 TRP N . 34799 1 271 . 1 . 1 150 150 ALA H H 1 8.083 0.000 . 1 . . . . A 150 ALA H . 34799 1 272 . 1 . 1 150 150 ALA N N 15 119.956 0.000 . 1 . . . . A 150 ALA N . 34799 1 273 . 1 . 1 151 151 LEU H H 1 8.465 0.000 . 1 . . . . A 151 LEU H . 34799 1 274 . 1 . 1 151 151 LEU N N 15 117.098 0.000 . 1 . . . . A 151 LEU N . 34799 1 275 . 1 . 1 152 152 SER H H 1 8.985 0.000 . 1 . . . . A 152 SER H . 34799 1 276 . 1 . 1 152 152 SER N N 15 114.523 0.000 . 1 . . . . A 152 SER N . 34799 1 277 . 1 . 1 153 153 ASN H H 1 7.816 0.000 . 1 . . . . A 153 ASN H . 34799 1 278 . 1 . 1 153 153 ASN N N 15 119.054 0.000 . 1 . . . . A 153 ASN N . 34799 1 279 . 1 . 1 154 154 ILE H H 1 8.435 0.000 . 1 . . . . A 154 ILE H . 34799 1 280 . 1 . 1 154 154 ILE N N 15 125.425 0.000 . 1 . . . . A 154 ILE N . 34799 1 281 . 1 . 1 155 155 ALA H H 1 8.508 0.000 . 1 . . . . A 155 ALA H . 34799 1 282 . 1 . 1 155 155 ALA N N 15 117.821 0.000 . 1 . . . . A 155 ALA N . 34799 1 283 . 1 . 1 156 156 SER H H 1 7.474 0.000 . 1 . . . . A 156 SER H . 34799 1 284 . 1 . 1 156 156 SER N N 15 112.892 0.000 . 1 . . . . A 156 SER N . 34799 1 285 . 1 . 1 157 157 GLY H H 1 7.600 0.000 . 1 . . . . A 157 GLY H . 34799 1 286 . 1 . 1 157 157 GLY N N 15 109.312 0.000 . 1 . . . . A 157 GLY N . 34799 1 287 . 1 . 1 158 158 GLY H H 1 8.323 0.000 . 1 . . . . A 158 GLY H . 34799 1 288 . 1 . 1 158 158 GLY N N 15 104.748 0.000 . 1 . . . . A 158 GLY N . 34799 1 289 . 1 . 1 160 160 GLU H H 1 9.519 0.000 . 1 . . . . A 160 GLU H . 34799 1 290 . 1 . 1 160 160 GLU N N 15 118.502 0.000 . 1 . . . . A 160 GLU N . 34799 1 291 . 1 . 1 161 161 GLN H H 1 7.123 0.000 . 1 . . . . A 161 GLN H . 34799 1 292 . 1 . 1 161 161 GLN N N 15 120.408 0.000 . 1 . . . . A 161 GLN N . 34799 1 293 . 1 . 1 162 162 ILE H H 1 8.233 0.000 . 1 . . . . A 162 ILE H . 34799 1 294 . 1 . 1 162 162 ILE N N 15 119.384 0.000 . 1 . . . . A 162 ILE N . 34799 1 295 . 1 . 1 163 163 GLN H H 1 8.602 0.000 . 1 . . . . A 163 GLN H . 34799 1 296 . 1 . 1 163 163 GLN N N 15 118.499 0.000 . 1 . . . . A 163 GLN N . 34799 1 297 . 1 . 1 164 164 ALA H H 1 7.390 0.000 . 1 . . . . A 164 ALA H . 34799 1 298 . 1 . 1 164 164 ALA N N 15 120.710 0.000 . 1 . . . . A 164 ALA N . 34799 1 299 . 1 . 1 165 165 VAL H H 1 7.447 0.000 . 1 . . . . A 165 VAL H . 34799 1 300 . 1 . 1 165 165 VAL N N 15 119.715 0.000 . 1 . . . . A 165 VAL N . 34799 1 301 . 1 . 1 166 166 ILE H H 1 8.122 0.000 . 1 . . . . A 166 ILE H . 34799 1 302 . 1 . 1 166 166 ILE N N 15 120.575 0.000 . 1 . . . . A 166 ILE N . 34799 1 303 . 1 . 1 167 167 ASP H H 1 9.613 0.000 . 1 . . . . A 167 ASP H . 34799 1 304 . 1 . 1 167 167 ASP N N 15 123.889 0.000 . 1 . . . . A 167 ASP N . 34799 1 305 . 1 . 1 168 168 ALA H H 1 7.547 0.000 . 1 . . . . A 168 ALA H . 34799 1 306 . 1 . 1 168 168 ALA N N 15 119.747 0.000 . 1 . . . . A 168 ALA N . 34799 1 307 . 1 . 1 169 169 GLY H H 1 8.132 0.000 . 1 . . . . A 169 GLY H . 34799 1 308 . 1 . 1 169 169 GLY N N 15 104.368 0.000 . 1 . . . . A 169 GLY N . 34799 1 309 . 1 . 1 170 170 ALA H H 1 7.066 0.000 . 1 . . . . A 170 ALA H . 34799 1 310 . 1 . 1 170 170 ALA N N 15 116.958 0.000 . 1 . . . . A 170 ALA N . 34799 1 311 . 1 . 1 171 171 LEU H H 1 9.395 0.000 . 1 . . . . A 171 LEU H . 34799 1 312 . 1 . 1 171 171 LEU N N 15 113.238 0.000 . 1 . . . . A 171 LEU N . 34799 1 313 . 1 . 1 173 173 ALA H H 1 7.004 0.000 . 1 . . . . A 173 ALA H . 34799 1 314 . 1 . 1 173 173 ALA N N 15 118.645 0.000 . 1 . . . . A 173 ALA N . 34799 1 315 . 1 . 1 174 174 LEU H H 1 8.121 0.000 . 1 . . . . A 174 LEU H . 34799 1 316 . 1 . 1 174 174 LEU N N 15 117.651 0.000 . 1 . . . . A 174 LEU N . 34799 1 317 . 1 . 1 175 175 VAL H H 1 8.467 0.000 . 1 . . . . A 175 VAL H . 34799 1 318 . 1 . 1 175 175 VAL N N 15 115.644 0.000 . 1 . . . . A 175 VAL N . 34799 1 319 . 1 . 1 176 176 GLN H H 1 7.783 0.000 . 1 . . . . A 176 GLN H . 34799 1 320 . 1 . 1 176 176 GLN N N 15 120.548 0.000 . 1 . . . . A 176 GLN N . 34799 1 321 . 1 . 1 177 177 LEU H H 1 7.770 0.000 . 1 . . . . A 177 LEU H . 34799 1 322 . 1 . 1 177 177 LEU N N 15 119.779 0.000 . 1 . . . . A 177 LEU N . 34799 1 323 . 1 . 1 178 178 LEU H H 1 7.416 0.000 . 1 . . . . A 178 LEU H . 34799 1 324 . 1 . 1 178 178 LEU N N 15 116.502 0.000 . 1 . . . . A 178 LEU N . 34799 1 325 . 1 . 1 179 179 SER H H 1 7.490 0.000 . 1 . . . . A 179 SER H . 34799 1 326 . 1 . 1 179 179 SER N N 15 111.237 0.000 . 1 . . . . A 179 SER N . 34799 1 327 . 1 . 1 180 180 SER H H 1 7.686 0.000 . 1 . . . . A 180 SER H . 34799 1 328 . 1 . 1 180 180 SER N N 15 118.006 0.000 . 1 . . . . A 180 SER N . 34799 1 329 . 1 . 1 182 182 ASN H H 1 8.296 0.000 . 1 . . . . A 182 ASN H . 34799 1 330 . 1 . 1 182 182 ASN N N 15 120.589 0.000 . 1 . . . . A 182 ASN N . 34799 1 331 . 1 . 1 183 183 GLU H H 1 9.093 0.000 . 1 . . . . A 183 GLU H . 34799 1 332 . 1 . 1 183 183 GLU N N 15 126.723 0.000 . 1 . . . . A 183 GLU N . 34799 1 333 . 1 . 1 184 184 GLN H H 1 8.264 0.000 . 1 . . . . A 184 GLN H . 34799 1 334 . 1 . 1 184 184 GLN N N 15 119.381 0.000 . 1 . . . . A 184 GLN N . 34799 1 335 . 1 . 1 185 185 ILE H H 1 7.543 0.000 . 1 . . . . A 185 ILE H . 34799 1 336 . 1 . 1 185 185 ILE N N 15 121.142 0.000 . 1 . . . . A 185 ILE N . 34799 1 337 . 1 . 1 186 186 LEU H H 1 8.224 0.000 . 1 . . . . A 186 LEU H . 34799 1 338 . 1 . 1 186 186 LEU N N 15 120.217 0.000 . 1 . . . . A 186 LEU N . 34799 1 339 . 1 . 1 187 187 GLN H H 1 7.864 0.000 . 1 . . . . A 187 GLN H . 34799 1 340 . 1 . 1 187 187 GLN N N 15 115.300 0.000 . 1 . . . . A 187 GLN N . 34799 1 341 . 1 . 1 188 188 GLU H H 1 7.904 0.000 . 1 . . . . A 188 GLU H . 34799 1 342 . 1 . 1 188 188 GLU N N 15 119.249 0.000 . 1 . . . . A 188 GLU N . 34799 1 343 . 1 . 1 189 189 ALA H H 1 8.821 0.000 . 1 . . . . A 189 ALA H . 34799 1 344 . 1 . 1 189 189 ALA N N 15 123.395 0.000 . 1 . . . . A 189 ALA N . 34799 1 345 . 1 . 1 190 190 LEU H H 1 8.332 0.000 . 1 . . . . A 190 LEU H . 34799 1 346 . 1 . 1 190 190 LEU N N 15 118.811 0.000 . 1 . . . . A 190 LEU N . 34799 1 347 . 1 . 1 191 191 TRP H H 1 8.249 0.000 . 1 . . . . A 191 TRP H . 34799 1 348 . 1 . 1 191 191 TRP N N 15 121.644 0.000 . 1 . . . . A 191 TRP N . 34799 1 349 . 1 . 1 192 192 ALA H H 1 8.016 0.000 . 1 . . . . A 192 ALA H . 34799 1 350 . 1 . 1 192 192 ALA N N 15 120.050 0.000 . 1 . . . . A 192 ALA N . 34799 1 351 . 1 . 1 193 193 LEU H H 1 8.501 0.000 . 1 . . . . A 193 LEU H . 34799 1 352 . 1 . 1 193 193 LEU N N 15 117.126 0.000 . 1 . . . . A 193 LEU N . 34799 1 353 . 1 . 1 194 194 SER H H 1 8.998 0.000 . 1 . . . . A 194 SER H . 34799 1 354 . 1 . 1 194 194 SER N N 15 114.472 0.000 . 1 . . . . A 194 SER N . 34799 1 355 . 1 . 1 195 195 ASN H H 1 7.899 0.000 . 1 . . . . A 195 ASN H . 34799 1 356 . 1 . 1 195 195 ASN N N 15 119.456 0.000 . 1 . . . . A 195 ASN N . 34799 1 357 . 1 . 1 196 196 ILE H H 1 8.472 0.000 . 1 . . . . A 196 ILE H . 34799 1 358 . 1 . 1 196 196 ILE N N 15 125.069 0.000 . 1 . . . . A 196 ILE N . 34799 1 359 . 1 . 1 197 197 ALA H H 1 8.048 0.000 . 1 . . . . A 197 ALA H . 34799 1 360 . 1 . 1 197 197 ALA N N 15 116.188 0.000 . 1 . . . . A 197 ALA N . 34799 1 361 . 1 . 1 198 198 SER H H 1 7.482 0.000 . 1 . . . . A 198 SER H . 34799 1 362 . 1 . 1 198 198 SER N N 15 112.085 0.000 . 1 . . . . A 198 SER N . 34799 1 363 . 1 . 1 199 199 GLY H H 1 8.031 0.000 . 1 . . . . A 199 GLY H . 34799 1 364 . 1 . 1 199 199 GLY N N 15 108.832 0.000 . 1 . . . . A 199 GLY N . 34799 1 365 . 1 . 1 200 200 GLY H H 1 8.100 0.000 . 1 . . . . A 200 GLY H . 34799 1 366 . 1 . 1 200 200 GLY N N 15 104.775 0.000 . 1 . . . . A 200 GLY N . 34799 1 367 . 1 . 1 201 201 ASN H H 1 8.695 0.000 . 1 . . . . A 201 ASN H . 34799 1 368 . 1 . 1 201 201 ASN N N 15 118.573 0.000 . 1 . . . . A 201 ASN N . 34799 1 369 . 1 . 1 202 202 GLU H H 1 9.524 0.000 . 1 . . . . A 202 GLU H . 34799 1 370 . 1 . 1 202 202 GLU N N 15 118.540 0.000 . 1 . . . . A 202 GLU N . 34799 1 371 . 1 . 1 203 203 GLN H H 1 7.265 0.000 . 1 . . . . A 203 GLN H . 34799 1 372 . 1 . 1 203 203 GLN N N 15 121.887 0.000 . 1 . . . . A 203 GLN N . 34799 1 373 . 1 . 1 204 204 LYS H H 1 8.245 0.000 . 1 . . . . A 204 LYS H . 34799 1 374 . 1 . 1 204 204 LYS N N 15 118.209 0.000 . 1 . . . . A 204 LYS N . 34799 1 375 . 1 . 1 205 205 GLN H H 1 8.338 0.000 . 1 . . . . A 205 GLN H . 34799 1 376 . 1 . 1 205 205 GLN N N 15 117.764 0.000 . 1 . . . . A 205 GLN N . 34799 1 377 . 1 . 1 206 206 ALA H H 1 7.377 0.000 . 1 . . . . A 206 ALA H . 34799 1 378 . 1 . 1 206 206 ALA N N 15 121.231 0.000 . 1 . . . . A 206 ALA N . 34799 1 379 . 1 . 1 207 207 VAL H H 1 7.603 0.000 . 1 . . . . A 207 VAL H . 34799 1 380 . 1 . 1 207 207 VAL N N 15 118.464 0.000 . 1 . . . . A 207 VAL N . 34799 1 381 . 1 . 1 208 208 LYS H H 1 7.907 0.000 . 1 . . . . A 208 LYS H . 34799 1 382 . 1 . 1 208 208 LYS N N 15 119.236 0.000 . 1 . . . . A 208 LYS N . 34799 1 383 . 1 . 1 209 209 GLU H H 1 8.830 0.000 . 1 . . . . A 209 GLU H . 34799 1 384 . 1 . 1 209 209 GLU N N 15 121.339 0.000 . 1 . . . . A 209 GLU N . 34799 1 385 . 1 . 1 210 210 ALA H H 1 7.425 0.000 . 1 . . . . A 210 ALA H . 34799 1 386 . 1 . 1 210 210 ALA N N 15 118.509 0.000 . 1 . . . . A 210 ALA N . 34799 1 387 . 1 . 1 211 211 GLY H H 1 7.809 0.000 . 1 . . . . A 211 GLY H . 34799 1 388 . 1 . 1 211 211 GLY N N 15 104.069 0.000 . 1 . . . . A 211 GLY N . 34799 1 389 . 1 . 1 212 212 ALA H H 1 7.081 0.000 . 1 . . . . A 212 ALA H . 34799 1 390 . 1 . 1 212 212 ALA N N 15 116.963 0.000 . 1 . . . . A 212 ALA N . 34799 1 391 . 1 . 1 213 213 LEU H H 1 9.037 0.000 . 1 . . . . A 213 LEU H . 34799 1 392 . 1 . 1 213 213 LEU N N 15 116.496 0.000 . 1 . . . . A 213 LEU N . 34799 1 393 . 1 . 1 214 214 GLU H H 1 8.405 0.000 . 1 . . . . A 214 GLU H . 34799 1 394 . 1 . 1 214 214 GLU N N 15 116.905 0.000 . 1 . . . . A 214 GLU N . 34799 1 395 . 1 . 1 215 215 LYS H H 1 6.806 0.000 . 1 . . . . A 215 LYS H . 34799 1 396 . 1 . 1 215 215 LYS N N 15 115.825 0.000 . 1 . . . . A 215 LYS N . 34799 1 397 . 1 . 1 216 216 LEU H H 1 8.434 0.000 . 1 . . . . A 216 LEU H . 34799 1 398 . 1 . 1 216 216 LEU N N 15 119.727 0.000 . 1 . . . . A 216 LEU N . 34799 1 399 . 1 . 1 217 217 GLU H H 1 8.389 0.000 . 1 . . . . A 217 GLU H . 34799 1 400 . 1 . 1 217 217 GLU N N 15 117.492 0.000 . 1 . . . . A 217 GLU N . 34799 1 401 . 1 . 1 218 218 GLN H H 1 7.444 0.000 . 1 . . . . A 218 GLN H . 34799 1 402 . 1 . 1 218 218 GLN N N 15 118.826 0.000 . 1 . . . . A 218 GLN N . 34799 1 403 . 1 . 1 219 219 LEU H H 1 7.939 0.000 . 1 . . . . A 219 LEU H . 34799 1 404 . 1 . 1 219 219 LEU N N 15 119.767 0.000 . 1 . . . . A 219 LEU N . 34799 1 405 . 1 . 1 220 220 GLN H H 1 7.550 0.000 . 1 . . . . A 220 GLN H . 34799 1 406 . 1 . 1 220 220 GLN N N 15 116.248 0.000 . 1 . . . . A 220 GLN N . 34799 1 407 . 1 . 1 222 222 HIS H H 1 7.617 0.000 . 1 . . . . A 222 HIS H . 34799 1 408 . 1 . 1 222 222 HIS N N 15 125.334 0.000 . 1 . . . . A 222 HIS N . 34799 1 409 . 1 . 1 223 223 GLU H H 1 8.064 0.000 . 1 . . . . A 223 GLU H . 34799 1 410 . 1 . 1 223 223 GLU N N 15 124.318 0.000 . 1 . . . . A 223 GLU N . 34799 1 411 . 1 . 1 224 224 ASN H H 1 11.666 0.000 . 1 . . . . A 224 ASN H . 34799 1 412 . 1 . 1 224 224 ASN N N 15 124.707 0.000 . 1 . . . . A 224 ASN N . 34799 1 413 . 1 . 1 225 225 GLU H H 1 9.134 0.000 . 1 . . . . A 225 GLU H . 34799 1 414 . 1 . 1 225 225 GLU N N 15 128.050 0.000 . 1 . . . . A 225 GLU N . 34799 1 415 . 1 . 1 226 226 LYS H H 1 8.265 0.000 . 1 . . . . A 226 LYS H . 34799 1 416 . 1 . 1 226 226 LYS N N 15 119.271 0.000 . 1 . . . . A 226 LYS N . 34799 1 417 . 1 . 1 227 227 ILE H H 1 7.212 0.000 . 1 . . . . A 227 ILE H . 34799 1 418 . 1 . 1 227 227 ILE N N 15 120.483 0.000 . 1 . . . . A 227 ILE N . 34799 1 419 . 1 . 1 228 228 GLN H H 1 8.119 0.000 . 1 . . . . A 228 GLN H . 34799 1 420 . 1 . 1 228 228 GLN N N 15 118.252 0.000 . 1 . . . . A 228 GLN N . 34799 1 421 . 1 . 1 229 229 LYS H H 1 7.805 0.000 . 1 . . . . A 229 LYS H . 34799 1 422 . 1 . 1 229 229 LYS N N 15 117.237 0.000 . 1 . . . . A 229 LYS N . 34799 1 423 . 1 . 1 230 230 GLU H H 1 7.901 0.000 . 1 . . . . A 230 GLU H . 34799 1 424 . 1 . 1 230 230 GLU N N 15 118.963 0.000 . 1 . . . . A 230 GLU N . 34799 1 425 . 1 . 1 231 231 ALA H H 1 8.863 0.000 . 1 . . . . A 231 ALA H . 34799 1 426 . 1 . 1 231 231 ALA N N 15 122.572 0.000 . 1 . . . . A 231 ALA N . 34799 1 427 . 1 . 1 232 232 GLN H H 1 8.254 0.000 . 1 . . . . A 232 GLN H . 34799 1 428 . 1 . 1 232 232 GLN N N 15 118.201 0.000 . 1 . . . . A 232 GLN N . 34799 1 429 . 1 . 1 233 233 GLU H H 1 8.270 0.000 . 1 . . . . A 233 GLU H . 34799 1 430 . 1 . 1 233 233 GLU N N 15 119.281 0.000 . 1 . . . . A 233 GLU N . 34799 1 431 . 1 . 1 234 234 ALA H H 1 8.095 0.000 . 1 . . . . A 234 ALA H . 34799 1 432 . 1 . 1 234 234 ALA N N 15 121.834 0.000 . 1 . . . . A 234 ALA N . 34799 1 433 . 1 . 1 235 235 LEU H H 1 8.341 0.000 . 1 . . . . A 235 LEU H . 34799 1 434 . 1 . 1 235 235 LEU N N 15 117.784 0.000 . 1 . . . . A 235 LEU N . 34799 1 435 . 1 . 1 236 236 GLU H H 1 8.132 0.000 . 1 . . . . A 236 GLU H . 34799 1 436 . 1 . 1 236 236 GLU N N 15 118.808 0.000 . 1 . . . . A 236 GLU N . 34799 1 437 . 1 . 1 237 237 LYS H H 1 7.770 0.000 . 1 . . . . A 237 LYS H . 34799 1 438 . 1 . 1 237 237 LYS N N 15 118.732 0.000 . 1 . . . . A 237 LYS N . 34799 1 439 . 1 . 1 238 238 LEU H H 1 7.834 0.000 . 1 . . . . A 238 LEU H . 34799 1 440 . 1 . 1 238 238 LEU N N 15 117.373 0.000 . 1 . . . . A 238 LEU N . 34799 1 441 . 1 . 1 239 239 GLN H H 1 7.690 0.000 . 1 . . . . A 239 GLN H . 34799 1 442 . 1 . 1 239 239 GLN N N 15 116.279 0.000 . 1 . . . . A 239 GLN N . 34799 1 stop_ save_