data_50310 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50310 _Entry.Title ; Backbone 1H, and 15N chemical shift Assignments for the ligand-free GlnBP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-08 _Entry.Accession_date 2020-06-08 _Entry.Last_release_date 2020-06-08 _Entry.Original_release_date 2020-06-08 _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 _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _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 Peiwu Qin . . . 0000-0002-7829-8973 50310 2 Dongmei Yu . . . . 50310 3 Qun Chen . . . . 50310 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50310 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 151 50310 '1H chemical shifts' 151 50310 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 . . 2022-05-09 . original BMRB . 50310 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50310 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35446849 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Reversible domain closure modulates GlnBP ligand binding affinity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 17 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1932-6203 _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 e0263102 _Citation.Page_last e0263102 _Citation.Year 2022 _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 Qun Chen Q. . . . 50310 1 2 Fang Li F. . . . 50310 1 3 Xiaobing Zuo X. . . . 50310 1 4 Jin Chen J. . . . 50310 1 5 Peiwu Qin P. . . . 50310 1 6 Chuhui Wang C. . . . 50310 1 7 Jin Xu J. . . . 50310 1 8 Danyu Yang D. . . . 50310 1 9 Baogang Xing B. . . . 50310 1 10 Ying Liu Y. . . . 50310 1 11 Peng Jia P. . . . 50310 1 12 Linling Li L. . . . 50310 1 13 Chengming Yang C. . . . 50310 1 14 Dongmei Yu D. . . . 50310 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50310 _Assembly.ID 1 _Assembly.Name 'Glutamine binding protein (GlnBP)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 GlnBP 1 $entity_1 . . yes native no no . . . 50310 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50310 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKSVLKVSLAALTLAFAVSS HAADKKLVVATDTAFVPFEF KQGDKYVGFDVDLWAAIAKE LKLDYELKPMDFSGIIPALQ TKNVDLALAGITITDERKKA IDFSDGYYKSGLLVMVKANN NDVKSVKDLDGKVVAVKSGT GSVDYAKANIKTKDKRQFPN IDNAYMELGTNRADAVLHDT PNILYFIKTAGNGQFKAVGD SLEAQQYGIAFPKGSDEQRD KVNGALKTLRENGTYNEIYK KWFGTEPK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 248 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 -21 MET . 50310 1 2 -20 LYS . 50310 1 3 -19 SER . 50310 1 4 -18 VAL . 50310 1 5 -17 LEU . 50310 1 6 -16 LYS . 50310 1 7 -15 VAL . 50310 1 8 -14 SER . 50310 1 9 -13 LEU . 50310 1 10 -12 ALA . 50310 1 11 -11 ALA . 50310 1 12 -10 LEU . 50310 1 13 -9 THR . 50310 1 14 -8 LEU . 50310 1 15 -7 ALA . 50310 1 16 -6 PHE . 50310 1 17 -5 ALA . 50310 1 18 -4 VAL . 50310 1 19 -3 SER . 50310 1 20 -2 SER . 50310 1 21 -1 HIS . 50310 1 22 0 ALA . 50310 1 23 1 ALA . 50310 1 24 2 ASP . 50310 1 25 3 LYS . 50310 1 26 4 LYS . 50310 1 27 5 LEU . 50310 1 28 6 VAL . 50310 1 29 7 VAL . 50310 1 30 8 ALA . 50310 1 31 9 THR . 50310 1 32 10 ASP . 50310 1 33 11 THR . 50310 1 34 12 ALA . 50310 1 35 13 PHE . 50310 1 36 14 VAL . 50310 1 37 15 PRO . 50310 1 38 16 PHE . 50310 1 39 17 GLU . 50310 1 40 18 PHE . 50310 1 41 19 LYS . 50310 1 42 20 GLN . 50310 1 43 21 GLY . 50310 1 44 22 ASP . 50310 1 45 23 LYS . 50310 1 46 24 TYR . 50310 1 47 25 VAL . 50310 1 48 26 GLY . 50310 1 49 27 PHE . 50310 1 50 28 ASP . 50310 1 51 29 VAL . 50310 1 52 30 ASP . 50310 1 53 31 LEU . 50310 1 54 32 TRP . 50310 1 55 33 ALA . 50310 1 56 34 ALA . 50310 1 57 35 ILE . 50310 1 58 36 ALA . 50310 1 59 37 LYS . 50310 1 60 38 GLU . 50310 1 61 39 LEU . 50310 1 62 40 LYS . 50310 1 63 41 LEU . 50310 1 64 42 ASP . 50310 1 65 43 TYR . 50310 1 66 44 GLU . 50310 1 67 45 LEU . 50310 1 68 46 LYS . 50310 1 69 47 PRO . 50310 1 70 48 MET . 50310 1 71 49 ASP . 50310 1 72 50 PHE . 50310 1 73 51 SER . 50310 1 74 52 GLY . 50310 1 75 53 ILE . 50310 1 76 54 ILE . 50310 1 77 55 PRO . 50310 1 78 56 ALA . 50310 1 79 57 LEU . 50310 1 80 58 GLN . 50310 1 81 59 THR . 50310 1 82 60 LYS . 50310 1 83 61 ASN . 50310 1 84 62 VAL . 50310 1 85 63 ASP . 50310 1 86 64 LEU . 50310 1 87 65 ALA . 50310 1 88 66 LEU . 50310 1 89 67 ALA . 50310 1 90 68 GLY . 50310 1 91 69 ILE . 50310 1 92 70 THR . 50310 1 93 71 ILE . 50310 1 94 72 THR . 50310 1 95 73 ASP . 50310 1 96 74 GLU . 50310 1 97 75 ARG . 50310 1 98 76 LYS . 50310 1 99 77 LYS . 50310 1 100 78 ALA . 50310 1 101 79 ILE . 50310 1 102 80 ASP . 50310 1 103 81 PHE . 50310 1 104 82 SER . 50310 1 105 83 ASP . 50310 1 106 84 GLY . 50310 1 107 85 TYR . 50310 1 108 86 TYR . 50310 1 109 87 LYS . 50310 1 110 88 SER . 50310 1 111 89 GLY . 50310 1 112 90 LEU . 50310 1 113 91 LEU . 50310 1 114 92 VAL . 50310 1 115 93 MET . 50310 1 116 94 VAL . 50310 1 117 95 LYS . 50310 1 118 96 ALA . 50310 1 119 97 ASN . 50310 1 120 98 ASN . 50310 1 121 99 ASN . 50310 1 122 100 ASP . 50310 1 123 101 VAL . 50310 1 124 102 LYS . 50310 1 125 103 SER . 50310 1 126 104 VAL . 50310 1 127 105 LYS . 50310 1 128 106 ASP . 50310 1 129 107 LEU . 50310 1 130 108 ASP . 50310 1 131 109 GLY . 50310 1 132 110 LYS . 50310 1 133 111 VAL . 50310 1 134 112 VAL . 50310 1 135 113 ALA . 50310 1 136 114 VAL . 50310 1 137 115 LYS . 50310 1 138 116 SER . 50310 1 139 117 GLY . 50310 1 140 118 THR . 50310 1 141 119 GLY . 50310 1 142 120 SER . 50310 1 143 121 VAL . 50310 1 144 122 ASP . 50310 1 145 123 TYR . 50310 1 146 124 ALA . 50310 1 147 125 LYS . 50310 1 148 126 ALA . 50310 1 149 127 ASN . 50310 1 150 128 ILE . 50310 1 151 129 LYS . 50310 1 152 130 THR . 50310 1 153 131 LYS . 50310 1 154 132 ASP . 50310 1 155 133 LYS . 50310 1 156 134 ARG . 50310 1 157 135 GLN . 50310 1 158 136 PHE . 50310 1 159 137 PRO . 50310 1 160 138 ASN . 50310 1 161 139 ILE . 50310 1 162 140 ASP . 50310 1 163 141 ASN . 50310 1 164 142 ALA . 50310 1 165 143 TYR . 50310 1 166 144 MET . 50310 1 167 145 GLU . 50310 1 168 146 LEU . 50310 1 169 147 GLY . 50310 1 170 148 THR . 50310 1 171 149 ASN . 50310 1 172 150 ARG . 50310 1 173 151 ALA . 50310 1 174 152 ASP . 50310 1 175 153 ALA . 50310 1 176 154 VAL . 50310 1 177 155 LEU . 50310 1 178 156 HIS . 50310 1 179 157 ASP . 50310 1 180 158 THR . 50310 1 181 159 PRO . 50310 1 182 160 ASN . 50310 1 183 161 ILE . 50310 1 184 162 LEU . 50310 1 185 163 TYR . 50310 1 186 164 PHE . 50310 1 187 165 ILE . 50310 1 188 166 LYS . 50310 1 189 167 THR . 50310 1 190 168 ALA . 50310 1 191 169 GLY . 50310 1 192 170 ASN . 50310 1 193 171 GLY . 50310 1 194 172 GLN . 50310 1 195 173 PHE . 50310 1 196 174 LYS . 50310 1 197 175 ALA . 50310 1 198 176 VAL . 50310 1 199 177 GLY . 50310 1 200 178 ASP . 50310 1 201 179 SER . 50310 1 202 180 LEU . 50310 1 203 181 GLU . 50310 1 204 182 ALA . 50310 1 205 183 GLN . 50310 1 206 184 GLN . 50310 1 207 185 TYR . 50310 1 208 186 GLY . 50310 1 209 187 ILE . 50310 1 210 188 ALA . 50310 1 211 189 PHE . 50310 1 212 190 PRO . 50310 1 213 191 LYS . 50310 1 214 192 GLY . 50310 1 215 193 SER . 50310 1 216 194 ASP . 50310 1 217 195 GLU . 50310 1 218 196 GLN . 50310 1 219 197 ARG . 50310 1 220 198 ASP . 50310 1 221 199 LYS . 50310 1 222 200 VAL . 50310 1 223 201 ASN . 50310 1 224 202 GLY . 50310 1 225 203 ALA . 50310 1 226 204 LEU . 50310 1 227 205 LYS . 50310 1 228 206 THR . 50310 1 229 207 LEU . 50310 1 230 208 ARG . 50310 1 231 209 GLU . 50310 1 232 210 ASN . 50310 1 233 211 GLY . 50310 1 234 212 THR . 50310 1 235 213 TYR . 50310 1 236 214 ASN . 50310 1 237 215 GLU . 50310 1 238 216 ILE . 50310 1 239 217 TYR . 50310 1 240 218 LYS . 50310 1 241 219 LYS . 50310 1 242 220 TRP . 50310 1 243 221 PHE . 50310 1 244 222 GLY . 50310 1 245 223 THR . 50310 1 246 224 GLU . 50310 1 247 225 PRO . 50310 1 248 226 LYS . 50310 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 50310 1 . LYS 2 2 50310 1 . SER 3 3 50310 1 . VAL 4 4 50310 1 . LEU 5 5 50310 1 . LYS 6 6 50310 1 . VAL 7 7 50310 1 . SER 8 8 50310 1 . LEU 9 9 50310 1 . ALA 10 10 50310 1 . ALA 11 11 50310 1 . LEU 12 12 50310 1 . THR 13 13 50310 1 . LEU 14 14 50310 1 . ALA 15 15 50310 1 . PHE 16 16 50310 1 . ALA 17 17 50310 1 . VAL 18 18 50310 1 . SER 19 19 50310 1 . SER 20 20 50310 1 . HIS 21 21 50310 1 . ALA 22 22 50310 1 . ALA 23 23 50310 1 . ASP 24 24 50310 1 . LYS 25 25 50310 1 . LYS 26 26 50310 1 . LEU 27 27 50310 1 . VAL 28 28 50310 1 . VAL 29 29 50310 1 . ALA 30 30 50310 1 . THR 31 31 50310 1 . ASP 32 32 50310 1 . THR 33 33 50310 1 . ALA 34 34 50310 1 . PHE 35 35 50310 1 . VAL 36 36 50310 1 . PRO 37 37 50310 1 . PHE 38 38 50310 1 . GLU 39 39 50310 1 . PHE 40 40 50310 1 . LYS 41 41 50310 1 . GLN 42 42 50310 1 . GLY 43 43 50310 1 . ASP 44 44 50310 1 . LYS 45 45 50310 1 . TYR 46 46 50310 1 . VAL 47 47 50310 1 . GLY 48 48 50310 1 . PHE 49 49 50310 1 . ASP 50 50 50310 1 . VAL 51 51 50310 1 . ASP 52 52 50310 1 . LEU 53 53 50310 1 . TRP 54 54 50310 1 . ALA 55 55 50310 1 . ALA 56 56 50310 1 . ILE 57 57 50310 1 . ALA 58 58 50310 1 . LYS 59 59 50310 1 . GLU 60 60 50310 1 . LEU 61 61 50310 1 . LYS 62 62 50310 1 . LEU 63 63 50310 1 . ASP 64 64 50310 1 . TYR 65 65 50310 1 . GLU 66 66 50310 1 . LEU 67 67 50310 1 . LYS 68 68 50310 1 . PRO 69 69 50310 1 . MET 70 70 50310 1 . ASP 71 71 50310 1 . PHE 72 72 50310 1 . SER 73 73 50310 1 . GLY 74 74 50310 1 . ILE 75 75 50310 1 . ILE 76 76 50310 1 . PRO 77 77 50310 1 . ALA 78 78 50310 1 . LEU 79 79 50310 1 . GLN 80 80 50310 1 . THR 81 81 50310 1 . LYS 82 82 50310 1 . ASN 83 83 50310 1 . VAL 84 84 50310 1 . ASP 85 85 50310 1 . LEU 86 86 50310 1 . ALA 87 87 50310 1 . LEU 88 88 50310 1 . ALA 89 89 50310 1 . GLY 90 90 50310 1 . ILE 91 91 50310 1 . THR 92 92 50310 1 . ILE 93 93 50310 1 . THR 94 94 50310 1 . ASP 95 95 50310 1 . GLU 96 96 50310 1 . ARG 97 97 50310 1 . LYS 98 98 50310 1 . LYS 99 99 50310 1 . ALA 100 100 50310 1 . ILE 101 101 50310 1 . ASP 102 102 50310 1 . PHE 103 103 50310 1 . SER 104 104 50310 1 . ASP 105 105 50310 1 . GLY 106 106 50310 1 . TYR 107 107 50310 1 . TYR 108 108 50310 1 . LYS 109 109 50310 1 . SER 110 110 50310 1 . GLY 111 111 50310 1 . LEU 112 112 50310 1 . LEU 113 113 50310 1 . VAL 114 114 50310 1 . MET 115 115 50310 1 . VAL 116 116 50310 1 . LYS 117 117 50310 1 . ALA 118 118 50310 1 . ASN 119 119 50310 1 . ASN 120 120 50310 1 . ASN 121 121 50310 1 . ASP 122 122 50310 1 . VAL 123 123 50310 1 . LYS 124 124 50310 1 . SER 125 125 50310 1 . VAL 126 126 50310 1 . LYS 127 127 50310 1 . ASP 128 128 50310 1 . LEU 129 129 50310 1 . ASP 130 130 50310 1 . GLY 131 131 50310 1 . LYS 132 132 50310 1 . VAL 133 133 50310 1 . VAL 134 134 50310 1 . ALA 135 135 50310 1 . VAL 136 136 50310 1 . LYS 137 137 50310 1 . SER 138 138 50310 1 . GLY 139 139 50310 1 . THR 140 140 50310 1 . GLY 141 141 50310 1 . SER 142 142 50310 1 . VAL 143 143 50310 1 . ASP 144 144 50310 1 . TYR 145 145 50310 1 . ALA 146 146 50310 1 . LYS 147 147 50310 1 . ALA 148 148 50310 1 . ASN 149 149 50310 1 . ILE 150 150 50310 1 . LYS 151 151 50310 1 . THR 152 152 50310 1 . LYS 153 153 50310 1 . ASP 154 154 50310 1 . LYS 155 155 50310 1 . ARG 156 156 50310 1 . GLN 157 157 50310 1 . PHE 158 158 50310 1 . PRO 159 159 50310 1 . ASN 160 160 50310 1 . ILE 161 161 50310 1 . ASP 162 162 50310 1 . ASN 163 163 50310 1 . ALA 164 164 50310 1 . TYR 165 165 50310 1 . MET 166 166 50310 1 . GLU 167 167 50310 1 . LEU 168 168 50310 1 . GLY 169 169 50310 1 . THR 170 170 50310 1 . ASN 171 171 50310 1 . ARG 172 172 50310 1 . ALA 173 173 50310 1 . ASP 174 174 50310 1 . ALA 175 175 50310 1 . VAL 176 176 50310 1 . LEU 177 177 50310 1 . HIS 178 178 50310 1 . ASP 179 179 50310 1 . THR 180 180 50310 1 . PRO 181 181 50310 1 . ASN 182 182 50310 1 . ILE 183 183 50310 1 . LEU 184 184 50310 1 . TYR 185 185 50310 1 . PHE 186 186 50310 1 . ILE 187 187 50310 1 . LYS 188 188 50310 1 . THR 189 189 50310 1 . ALA 190 190 50310 1 . GLY 191 191 50310 1 . ASN 192 192 50310 1 . GLY 193 193 50310 1 . GLN 194 194 50310 1 . PHE 195 195 50310 1 . LYS 196 196 50310 1 . ALA 197 197 50310 1 . VAL 198 198 50310 1 . GLY 199 199 50310 1 . ASP 200 200 50310 1 . SER 201 201 50310 1 . LEU 202 202 50310 1 . GLU 203 203 50310 1 . ALA 204 204 50310 1 . GLN 205 205 50310 1 . GLN 206 206 50310 1 . TYR 207 207 50310 1 . GLY 208 208 50310 1 . ILE 209 209 50310 1 . ALA 210 210 50310 1 . PHE 211 211 50310 1 . PRO 212 212 50310 1 . LYS 213 213 50310 1 . GLY 214 214 50310 1 . SER 215 215 50310 1 . ASP 216 216 50310 1 . GLU 217 217 50310 1 . GLN 218 218 50310 1 . ARG 219 219 50310 1 . ASP 220 220 50310 1 . LYS 221 221 50310 1 . VAL 222 222 50310 1 . ASN 223 223 50310 1 . GLY 224 224 50310 1 . ALA 225 225 50310 1 . LEU 226 226 50310 1 . LYS 227 227 50310 1 . THR 228 228 50310 1 . LEU 229 229 50310 1 . ARG 230 230 50310 1 . GLU 231 231 50310 1 . ASN 232 232 50310 1 . GLY 233 233 50310 1 . THR 234 234 50310 1 . TYR 235 235 50310 1 . ASN 236 236 50310 1 . GLU 237 237 50310 1 . ILE 238 238 50310 1 . TYR 239 239 50310 1 . LYS 240 240 50310 1 . LYS 241 241 50310 1 . TRP 242 242 50310 1 . PHE 243 243 50310 1 . GLY 244 244 50310 1 . THR 245 245 50310 1 . GLU 246 246 50310 1 . PRO 247 247 50310 1 . LYS 248 248 50310 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50310 _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 . . . . . . . . . . . . . 50310 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50310 _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' . . . Escherichia coli . . . plasmid . . pET11a . . . 50310 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50310 _Sample.ID 1 _Sample.Name sample-1 _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 'Glutamine binding protein (GlnBP)' '[U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 50310 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 50310 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.003 . M 50310 1 pH 7.5 . pH 50310 1 pressure 1 . atm 50310 1 temperature 310 . K 50310 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50310 _Software.ID 1 _Software.Type . _Software.Name MARS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50310 1 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 50310 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 800 MHZ' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '800 MHZ' save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50310 _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 . . . . . . . . . . . . . . . . . 50310 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 50310 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '2D 1H-15N HSQC' _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 water protons . . . . ppm 0 internal direct 1 . . . . . 50310 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 internal direct 1 . . . . . 50310 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 50310 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name GlnBP_assigned_chem_shift_list _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 . _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' . . . 50310 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50310 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 24 24 ASP H H 1 8.450 . . 1 . . . . . 2 ASP HN . 50310 1 2 . 1 . 1 24 24 ASP N N 15 122.248 . . 1 . . . . . 2 ASP N . 50310 1 3 . 1 . 1 26 26 LYS H H 1 8.230 . . 1 . . . . . 4 LYS HN . 50310 1 4 . 1 . 1 26 26 LYS N N 15 124.288 . . 1 . . . . . 4 LYS N . 50310 1 5 . 1 . 1 27 27 LEU H H 1 8.259 . . 1 . . . . . 5 LEU HN . 50310 1 6 . 1 . 1 27 27 LEU N N 15 126.494 . . 1 . . . . . 5 LEU N . 50310 1 7 . 1 . 1 29 29 VAL H H 1 8.531 . . 1 . . . . . 7 VAL HN . 50310 1 8 . 1 . 1 29 29 VAL N N 15 129.525 . . 1 . . . . . 7 VAL N . 50310 1 9 . 1 . 1 30 30 ALA H H 1 8.531 . . 1 . . . . . 8 ALA HN . 50310 1 10 . 1 . 1 30 30 ALA N N 15 128.857 . . 1 . . . . . 8 ALA N . 50310 1 11 . 1 . 1 32 32 ASP H H 1 7.035 . . 1 . . . . . 10 ASP HN . 50310 1 12 . 1 . 1 32 32 ASP N N 15 121.627 . . 1 . . . . . 10 ASP N . 50310 1 13 . 1 . 1 33 33 THR H H 1 8.162 . . 1 . . . . . 11 THR HN . 50310 1 14 . 1 . 1 33 33 THR N N 15 113.790 . . 1 . . . . . 11 THR N . 50310 1 15 . 1 . 1 34 34 ALA H H 1 8.981 . . 1 . . . . . 12 ALA HN . 50310 1 16 . 1 . 1 34 34 ALA N N 15 124.581 . . 1 . . . . . 12 ALA N . 50310 1 17 . 1 . 1 38 38 PHE H H 1 8.302 . . 1 . . . . . 16 PHE HN . 50310 1 18 . 1 . 1 38 38 PHE N N 15 126.043 . . 1 . . . . . 16 PHE N . 50310 1 19 . 1 . 1 39 39 GLU H H 1 8.140 . . 1 . . . . . 17 GLU HN . 50310 1 20 . 1 . 1 39 39 GLU N N 15 110.650 . . 1 . . . . . 17 GLU N . 50310 1 21 . 1 . 1 40 40 PHE H H 1 9.047 . . 1 . . . . . 18 PHE HN . 50310 1 22 . 1 . 1 40 40 PHE N N 15 118.133 . . 1 . . . . . 18 PHE N . 50310 1 23 . 1 . 1 41 41 LYS H H 1 8.621 . . 1 . . . . . 19 LYS HN . 50310 1 24 . 1 . 1 41 41 LYS N N 15 121.075 . . 1 . . . . . 19 LYS N . 50310 1 25 . 1 . 1 42 42 GLN H H 1 8.620 . . 1 . . . . . 20 GLN HN . 50310 1 26 . 1 . 1 42 42 GLN N N 15 127.792 . . 1 . . . . . 20 GLN N . 50310 1 27 . 1 . 1 46 46 TYR H H 1 8.387 . . 1 . . . . . 24 TYR HN . 50310 1 28 . 1 . 1 46 46 TYR N N 15 120.841 . . 1 . . . . . 24 TYR N . 50310 1 29 . 1 . 1 47 47 VAL H H 1 8.799 . . 1 . . . . . 25 VAL HN . 50310 1 30 . 1 . 1 47 47 VAL N N 15 116.507 . . 1 . . . . . 25 VAL N . 50310 1 31 . 1 . 1 48 48 GLY H H 1 7.163 . . 1 . . . . . 26 GLY HN . 50310 1 32 . 1 . 1 48 48 GLY N N 15 103.817 . . 1 . . . . . 26 GLY N . 50310 1 33 . 1 . 1 49 49 PHE H H 1 7.363 . . 1 . . . . . 27 PHE HN . 50310 1 34 . 1 . 1 49 49 PHE N N 15 118.705 . . 1 . . . . . 27 PHE N . 50310 1 35 . 1 . 1 50 50 ASP H H 1 9.097 . . 1 . . . . . 28 ASP HN . 50310 1 36 . 1 . 1 50 50 ASP N N 15 118.148 . . 1 . . . . . 28 ASP N . 50310 1 37 . 1 . 1 51 51 VAL H H 1 6.193 . . 1 . . . . . 29 VAL HN . 50310 1 38 . 1 . 1 51 51 VAL N N 15 117.517 . . 1 . . . . . 29 VAL N . 50310 1 39 . 1 . 1 52 52 ASP H H 1 8.502 . . 1 . . . . . 30 ASP HN . 50310 1 40 . 1 . 1 52 52 ASP N N 15 119.914 . . 1 . . . . . 30 ASP N . 50310 1 41 . 1 . 1 53 53 LEU H H 1 8.614 . . 1 . . . . . 31 LEU HN . 50310 1 42 . 1 . 1 53 53 LEU N N 15 123.055 . . 1 . . . . . 31 LEU N . 50310 1 43 . 1 . 1 54 54 TRP H H 1 8.586 . . 1 . . . . . 32 TRP HN . 50310 1 44 . 1 . 1 54 54 TRP N N 15 117.238 . . 1 . . . . . 32 TRP N . 50310 1 45 . 1 . 1 55 55 ALA H H 1 8.045 . . 1 . . . . . 33 ALA HN . 50310 1 46 . 1 . 1 55 55 ALA N N 15 118.631 . . 1 . . . . . 33 ALA N . 50310 1 47 . 1 . 1 56 56 ALA H H 1 7.569 . . 1 . . . . . 34 ALA HN . 50310 1 48 . 1 . 1 56 56 ALA N N 15 119.879 . . 1 . . . . . 34 ALA N . 50310 1 49 . 1 . 1 61 61 LEU H H 1 7.793 . . 1 . . . . . 39 LEU HN . 50310 1 50 . 1 . 1 61 61 LEU N N 15 114.739 . . 1 . . . . . 39 LEU N . 50310 1 51 . 1 . 1 62 62 LYS H H 1 7.732 . . 1 . . . . . 40 LYS HN . 50310 1 52 . 1 . 1 62 62 LYS N N 15 117.961 . . 1 . . . . . 40 LYS N . 50310 1 53 . 1 . 1 63 63 LEU H H 1 8.094 . . 1 . . . . . 41 LEU HN . 50310 1 54 . 1 . 1 63 63 LEU N N 15 117.865 . . 1 . . . . . 41 LEU N . 50310 1 55 . 1 . 1 64 64 ASP H H 1 8.669 . . 1 . . . . . 42 ASP HN . 50310 1 56 . 1 . 1 64 64 ASP N N 15 122.644 . . 1 . . . . . 42 ASP N . 50310 1 57 . 1 . 1 65 65 TYR H H 1 8.161 . . 1 . . . . . 43 TYR HN . 50310 1 58 . 1 . 1 65 65 TYR N N 15 117.009 . . 1 . . . . . 43 TYR N . 50310 1 59 . 1 . 1 66 66 GLU H H 1 9.031 . . 1 . . . . . 44 GLU HN . 50310 1 60 . 1 . 1 66 66 GLU N N 15 119.157 . . 1 . . . . . 44 GLU N . 50310 1 61 . 1 . 1 67 67 LEU H H 1 8.708 . . 1 . . . . . 45 LEU HN . 50310 1 62 . 1 . 1 67 67 LEU N N 15 124.481 . . 1 . . . . . 45 LEU N . 50310 1 63 . 1 . 1 68 68 LYS H H 1 9.150 . . 1 . . . . . 46 LYS HN . 50310 1 64 . 1 . 1 68 68 LYS N N 15 126.920 . . 1 . . . . . 46 LYS N . 50310 1 65 . 1 . 1 70 70 MET H H 1 9.388 . . 1 . . . . . 48 MET HN . 50310 1 66 . 1 . 1 70 70 MET N N 15 123.690 . . 1 . . . . . 48 MET N . 50310 1 67 . 1 . 1 71 71 ASP H H 1 7.998 . . 1 . . . . . 49 ASP HN . 50310 1 68 . 1 . 1 71 71 ASP N N 15 118.267 . . 1 . . . . . 49 ASP N . 50310 1 69 . 1 . 1 72 72 PHE H H 1 9.538 . . 1 . . . . . 50 PHE HN . 50310 1 70 . 1 . 1 72 72 PHE N N 15 125.002 . . 1 . . . . . 50 PHE N . 50310 1 71 . 1 . 1 73 73 SER H H 1 8.579 . . 1 . . . . . 51 SER HN . 50310 1 72 . 1 . 1 73 73 SER N N 15 112.453 . . 1 . . . . . 51 SER N . 50310 1 73 . 1 . 1 74 74 GLY H H 1 7.957 . . 1 . . . . . 52 GLY HN . 50310 1 74 . 1 . 1 74 74 GLY N N 15 107.591 . . 1 . . . . . 52 GLY N . 50310 1 75 . 1 . 1 75 75 ILE H H 1 7.627 . . 1 . . . . . 53 ILE HN . 50310 1 76 . 1 . 1 75 75 ILE N N 15 123.367 . . 1 . . . . . 53 ILE N . 50310 1 77 . 1 . 1 78 78 ALA H H 1 7.389 . . 1 . . . . . 56 ALA HN . 50310 1 78 . 1 . 1 78 78 ALA N N 15 119.241 . . 1 . . . . . 56 ALA N . 50310 1 79 . 1 . 1 79 79 LEU H H 1 7.988 . . 1 . . . . . 57 LEU HN . 50310 1 80 . 1 . 1 79 79 LEU N N 15 119.811 . . 1 . . . . . 57 LEU N . 50310 1 81 . 1 . 1 80 80 GLN H H 1 8.409 . . 1 . . . . . 58 GLN HN . 50310 1 82 . 1 . 1 80 80 GLN N N 15 116.888 . . 1 . . . . . 58 GLN N . 50310 1 83 . 1 . 1 81 81 THR H H 1 7.685 . . 1 . . . . . 59 THR HN . 50310 1 84 . 1 . 1 81 81 THR N N 15 106.438 . . 1 . . . . . 59 THR N . 50310 1 85 . 1 . 1 82 82 LYS H H 1 7.899 . . 1 . . . . . 60 LYS HN . 50310 1 86 . 1 . 1 82 82 LYS N N 15 117.714 . . 1 . . . . . 60 LYS N . 50310 1 87 . 1 . 1 83 83 ASN H H 1 8.688 . . 1 . . . . . 61 ASN HN . 50310 1 88 . 1 . 1 83 83 ASN N N 15 117.054 . . 1 . . . . . 61 ASN N . 50310 1 89 . 1 . 1 84 84 VAL H H 1 7.211 . . 1 . . . . . 62 VAL HN . 50310 1 90 . 1 . 1 84 84 VAL N N 15 109.483 . . 1 . . . . . 62 VAL N . 50310 1 91 . 1 . 1 85 85 ASP H H 1 8.765 . . 1 . . . . . 63 ASP HN . 50310 1 92 . 1 . 1 85 85 ASP N N 15 118.099 . . 1 . . . . . 63 ASP N . 50310 1 93 . 1 . 1 86 86 LEU H H 1 7.702 . . 1 . . . . . 64 LEU HN . 50310 1 94 . 1 . 1 86 86 LEU N N 15 109.693 . . 1 . . . . . 64 LEU N . 50310 1 95 . 1 . 1 87 87 ALA H H 1 8.471 . . 1 . . . . . 65 ALA HN . 50310 1 96 . 1 . 1 87 87 ALA N N 15 119.031 . . 1 . . . . . 65 ALA N . 50310 1 97 . 1 . 1 88 88 LEU H H 1 7.857 . . 1 . . . . . 66 LEU HN . 50310 1 98 . 1 . 1 88 88 LEU N N 15 120.156 . . 1 . . . . . 66 LEU N . 50310 1 99 . 1 . 1 89 89 ALA H H 1 8.198 . . 1 . . . . . 67 ALA HN . 50310 1 100 . 1 . 1 89 89 ALA N N 15 124.768 . . 1 . . . . . 67 ALA N . 50310 1 101 . 1 . 1 90 90 GLY H H 1 8.343 . . 1 . . . . . 68 GLY HN . 50310 1 102 . 1 . 1 90 90 GLY N N 15 109.442 . . 1 . . . . . 68 GLY N . 50310 1 103 . 1 . 1 91 91 ILE H H 1 8.552 . . 1 . . . . . 69 ILE HN . 50310 1 104 . 1 . 1 91 91 ILE N N 15 116.539 . . 1 . . . . . 69 ILE N . 50310 1 105 . 1 . 1 92 92 THR H H 1 7.659 . . 1 . . . . . 70 THR HN . 50310 1 106 . 1 . 1 92 92 THR N N 15 121.915 . . 1 . . . . . 70 THR N . 50310 1 107 . 1 . 1 93 93 ILE H H 1 8.513 . . 1 . . . . . 71 ILE HN . 50310 1 108 . 1 . 1 93 93 ILE N N 15 126.112 . . 1 . . . . . 71 ILE N . 50310 1 109 . 1 . 1 94 94 THR H H 1 6.519 . . 1 . . . . . 72 THR HN . 50310 1 110 . 1 . 1 94 94 THR N N 15 116.345 . . 1 . . . . . 72 THR N . 50310 1 111 . 1 . 1 99 99 LYS H H 1 7.174 . . 1 . . . . . 77 LYS HN . 50310 1 112 . 1 . 1 99 99 LYS N N 15 115.953 . . 1 . . . . . 77 LYS N . 50310 1 113 . 1 . 1 100 100 ALA H H 1 7.646 . . 1 . . . . . 78 ALA HN . 50310 1 114 . 1 . 1 100 100 ALA N N 15 119.872 . . 1 . . . . . 78 ALA N . 50310 1 115 . 1 . 1 101 101 ILE H H 1 8.101 . . 1 . . . . . 79 ILE HN . 50310 1 116 . 1 . 1 101 101 ILE N N 15 112.825 . . 1 . . . . . 79 ILE N . 50310 1 117 . 1 . 1 102 102 ASP H H 1 8.348 . . 1 . . . . . 80 ASP HN . 50310 1 118 . 1 . 1 102 102 ASP N N 15 116.889 . . 1 . . . . . 80 ASP N . 50310 1 119 . 1 . 1 103 103 PHE H H 1 8.776 . . 1 . . . . . 81 PHE HN . 50310 1 120 . 1 . 1 103 103 PHE N N 15 115.394 . . 1 . . . . . 81 PHE N . 50310 1 121 . 1 . 1 104 104 SER H H 1 9.491 . . 1 . . . . . 82 SER HN . 50310 1 122 . 1 . 1 104 104 SER N N 15 114.660 . . 1 . . . . . 82 SER N . 50310 1 123 . 1 . 1 105 105 ASP H H 1 9.303 . . 1 . . . . . 83 ASP HN . 50310 1 124 . 1 . 1 105 105 ASP N N 15 119.217 . . 1 . . . . . 83 ASP N . 50310 1 125 . 1 . 1 106 106 GLY H H 1 8.453 . . 1 . . . . . 84 GLY HN . 50310 1 126 . 1 . 1 106 106 GLY N N 15 107.793 . . 1 . . . . . 84 GLY N . 50310 1 127 . 1 . 1 107 107 TYR H H 1 7.396 . . 1 . . . . . 85 TYR HN . 50310 1 128 . 1 . 1 107 107 TYR N N 15 112.061 . . 1 . . . . . 85 TYR N . 50310 1 129 . 1 . 1 108 108 TYR H H 1 7.282 . . 1 . . . . . 86 TYR HN . 50310 1 130 . 1 . 1 108 108 TYR N N 15 124.411 . . 1 . . . . . 86 TYR N . 50310 1 131 . 1 . 1 109 109 LYS H H 1 6.916 . . 1 . . . . . 87 LYS HN . 50310 1 132 . 1 . 1 109 109 LYS N N 15 128.846 . . 1 . . . . . 87 LYS N . 50310 1 133 . 1 . 1 110 110 SER H H 1 8.416 . . 1 . . . . . 88 SER HN . 50310 1 134 . 1 . 1 110 110 SER N N 15 121.398 . . 1 . . . . . 88 SER N . 50310 1 135 . 1 . 1 111 111 GLY H H 1 8.088 . . 1 . . . . . 89 GLY HN . 50310 1 136 . 1 . 1 111 111 GLY N N 15 109.049 . . 1 . . . . . 89 GLY N . 50310 1 137 . 1 . 1 112 112 LEU H H 1 8.969 . . 1 . . . . . 90 LEU HN . 50310 1 138 . 1 . 1 112 112 LEU N N 15 124.997 . . 1 . . . . . 90 LEU N . 50310 1 139 . 1 . 1 113 113 LEU H H 1 8.902 . . 1 . . . . . 91 LEU HN . 50310 1 140 . 1 . 1 113 113 LEU N N 15 121.185 . . 1 . . . . . 91 LEU N . 50310 1 141 . 1 . 1 114 114 VAL H H 1 6.917 . . 1 . . . . . 92 VAL HN . 50310 1 142 . 1 . 1 114 114 VAL N N 15 121.071 . . 1 . . . . . 92 VAL N . 50310 1 143 . 1 . 1 115 115 MET H H 1 9.242 . . 1 . . . . . 93 MET HN . 50310 1 144 . 1 . 1 115 115 MET N N 15 127.473 . . 1 . . . . . 93 MET N . 50310 1 145 . 1 . 1 116 116 VAL H H 1 8.825 . . 1 . . . . . 94 VAL HN . 50310 1 146 . 1 . 1 116 116 VAL N N 15 115.754 . . 1 . . . . . 94 VAL N . 50310 1 147 . 1 . 1 117 117 LYS H H 1 8.972 . . 1 . . . . . 95 LYS HN . 50310 1 148 . 1 . 1 117 117 LYS N N 15 119.984 . . 1 . . . . . 95 LYS N . 50310 1 149 . 1 . 1 118 118 ALA H H 1 8.231 . . 1 . . . . . 96 ALA HN . 50310 1 150 . 1 . 1 118 118 ALA N N 15 122.698 . . 1 . . . . . 96 ALA N . 50310 1 151 . 1 . 1 119 119 ASN H H 1 7.642 . . 1 . . . . . 97 ASN HN . 50310 1 152 . 1 . 1 119 119 ASN N N 15 117.382 . . 1 . . . . . 97 ASN N . 50310 1 153 . 1 . 1 120 120 ASN H H 1 7.553 . . 1 . . . . . 98 ASN HN . 50310 1 154 . 1 . 1 120 120 ASN N N 15 118.975 . . 1 . . . . . 98 ASN N . 50310 1 155 . 1 . 1 122 122 ASP H H 1 8.364 . . 1 . . . . . 100 ASP HN . 50310 1 156 . 1 . 1 122 122 ASP N N 15 118.926 . . 1 . . . . . 100 ASP N . 50310 1 157 . 1 . 1 123 123 VAL H H 1 7.625 . . 1 . . . . . 101 VAL HN . 50310 1 158 . 1 . 1 123 123 VAL N N 15 120.304 . . 1 . . . . . 101 VAL N . 50310 1 159 . 1 . 1 124 124 LYS H H 1 9.722 . . 1 . . . . . 102 LYS HN . 50310 1 160 . 1 . 1 124 124 LYS N N 15 127.009 . . 1 . . . . . 102 LYS N . 50310 1 161 . 1 . 1 125 125 SER H H 1 8.044 . . 1 . . . . . 103 SER HN . 50310 1 162 . 1 . 1 125 125 SER N N 15 111.480 . . 1 . . . . . 103 SER N . 50310 1 163 . 1 . 1 126 126 VAL H H 1 9.654 . . 1 . . . . . 104 VAL HN . 50310 1 164 . 1 . 1 126 126 VAL N N 15 120.411 . . 1 . . . . . 104 VAL N . 50310 1 165 . 1 . 1 127 127 LYS H H 1 7.763 . . 1 . . . . . 105 LYS HN . 50310 1 166 . 1 . 1 127 127 LYS N N 15 121.765 . . 1 . . . . . 105 LYS N . 50310 1 167 . 1 . 1 128 128 ASP H H 1 7.564 . . 1 . . . . . 106 ASP HN . 50310 1 168 . 1 . 1 128 128 ASP N N 15 115.041 . . 1 . . . . . 106 ASP N . 50310 1 169 . 1 . 1 129 129 LEU H H 1 7.512 . . 1 . . . . . 107 LEU HN . 50310 1 170 . 1 . 1 129 129 LEU N N 15 115.755 . . 1 . . . . . 107 LEU N . 50310 1 171 . 1 . 1 130 130 ASP H H 1 6.957 . . 1 . . . . . 108 ASP HN . 50310 1 172 . 1 . 1 130 130 ASP N N 15 120.232 . . 1 . . . . . 108 ASP N . 50310 1 173 . 1 . 1 131 131 GLY H H 1 9.066 . . 1 . . . . . 109 GLY HN . 50310 1 174 . 1 . 1 131 131 GLY N N 15 110.342 . . 1 . . . . . 109 GLY N . 50310 1 175 . 1 . 1 132 132 LYS H H 1 7.783 . . 1 . . . . . 110 LYS HN . 50310 1 176 . 1 . 1 132 132 LYS N N 15 117.329 . . 1 . . . . . 110 LYS N . 50310 1 177 . 1 . 1 133 133 VAL H H 1 9.925 . . 1 . . . . . 111 VAL HN . 50310 1 178 . 1 . 1 133 133 VAL N N 15 124.068 . . 1 . . . . . 111 VAL N . 50310 1 179 . 1 . 1 134 134 VAL H H 1 8.311 . . 1 . . . . . 112 VAL HN . 50310 1 180 . 1 . 1 134 134 VAL N N 15 129.204 . . 1 . . . . . 112 VAL N . 50310 1 181 . 1 . 1 135 135 ALA H H 1 8.988 . . 1 . . . . . 113 ALA HN . 50310 1 182 . 1 . 1 135 135 ALA N N 15 130.183 . . 1 . . . . . 113 ALA N . 50310 1 183 . 1 . 1 136 136 VAL H H 1 8.693 . . 1 . . . . . 114 VAL HN . 50310 1 184 . 1 . 1 136 136 VAL N N 15 111.508 . . 1 . . . . . 114 VAL N . 50310 1 185 . 1 . 1 137 137 LYS H H 1 9.564 . . 1 . . . . . 115 LYS HN . 50310 1 186 . 1 . 1 137 137 LYS N N 15 122.919 . . 1 . . . . . 115 LYS N . 50310 1 187 . 1 . 1 138 138 SER H H 1 8.577 . . 1 . . . . . 116 SER HN . 50310 1 188 . 1 . 1 138 138 SER N N 15 122.587 . . 1 . . . . . 116 SER N . 50310 1 189 . 1 . 1 140 140 THR H H 1 7.176 . . 1 . . . . . 118 THR HN . 50310 1 190 . 1 . 1 140 140 THR N N 15 106.448 . . 1 . . . . . 118 THR N . 50310 1 191 . 1 . 1 144 144 ASP H H 1 6.917 . . 1 . . . . . 122 ASP HN . 50310 1 192 . 1 . 1 144 144 ASP N N 15 117.138 . . 1 . . . . . 122 ASP N . 50310 1 193 . 1 . 1 145 145 TYR H H 1 8.113 . . 1 . . . . . 123 TYR HN . 50310 1 194 . 1 . 1 145 145 TYR N N 15 119.534 . . 1 . . . . . 123 TYR N . 50310 1 195 . 1 . 1 146 146 ALA H H 1 8.551 . . 1 . . . . . 124 ALA HN . 50310 1 196 . 1 . 1 146 146 ALA N N 15 122.261 . . 1 . . . . . 124 ALA N . 50310 1 197 . 1 . 1 151 151 LYS H H 1 8.996 . . 1 . . . . . 129 LYS HN . 50310 1 198 . 1 . 1 151 151 LYS N N 15 132.652 . . 1 . . . . . 129 LYS N . 50310 1 199 . 1 . 1 152 152 THR H H 1 7.673 . . 1 . . . . . 130 THR HN . 50310 1 200 . 1 . 1 152 152 THR N N 15 113.999 . . 1 . . . . . 130 THR N . 50310 1 201 . 1 . 1 153 153 LYS H H 1 8.856 . . 1 . . . . . 131 LYS HN . 50310 1 202 . 1 . 1 153 153 LYS N N 15 122.710 . . 1 . . . . . 131 LYS N . 50310 1 203 . 1 . 1 154 154 ASP H H 1 7.152 . . 1 . . . . . 132 ASP HN . 50310 1 204 . 1 . 1 154 154 ASP N N 15 114.217 . . 1 . . . . . 132 ASP N . 50310 1 205 . 1 . 1 155 155 LYS H H 1 8.041 . . 1 . . . . . 133 LYS HN . 50310 1 206 . 1 . 1 155 155 LYS N N 15 128.335 . . 1 . . . . . 133 LYS N . 50310 1 207 . 1 . 1 156 156 ARG H H 1 9.152 . . 1 . . . . . 134 ARG HN . 50310 1 208 . 1 . 1 156 156 ARG N N 15 129.042 . . 1 . . . . . 134 ARG N . 50310 1 209 . 1 . 1 157 157 GLN H H 1 8.126 . . 1 . . . . . 135 GLN HN . 50310 1 210 . 1 . 1 157 157 GLN N N 15 122.592 . . 1 . . . . . 135 GLN N . 50310 1 211 . 1 . 1 158 158 PHE H H 1 8.744 . . 1 . . . . . 136 PHE HN . 50310 1 212 . 1 . 1 158 158 PHE N N 15 120.424 . . 1 . . . . . 136 PHE N . 50310 1 213 . 1 . 1 163 163 ASN H H 1 6.975 . . 1 . . . . . 141 ASN HN . 50310 1 214 . 1 . 1 163 163 ASN N N 15 114.228 . . 1 . . . . . 141 ASN N . 50310 1 215 . 1 . 1 166 166 MET H H 1 7.567 . . 1 . . . . . 144 MET HN . 50310 1 216 . 1 . 1 166 166 MET N N 15 116.396 . . 1 . . . . . 144 MET N . 50310 1 217 . 1 . 1 167 167 GLU H H 1 7.524 . . 1 . . . . . 145 GLU HN . 50310 1 218 . 1 . 1 167 167 GLU N N 15 122.970 . . 1 . . . . . 145 GLU N . 50310 1 219 . 1 . 1 169 169 GLY H H 1 8.911 . . 1 . . . . . 147 GLY HN . 50310 1 220 . 1 . 1 169 169 GLY N N 15 106.481 . . 1 . . . . . 147 GLY N . 50310 1 221 . 1 . 1 170 170 THR H H 1 7.775 . . 1 . . . . . 148 THR HN . 50310 1 222 . 1 . 1 170 170 THR N N 15 108.786 . . 1 . . . . . 148 THR N . 50310 1 223 . 1 . 1 171 171 ASN H H 1 8.098 . . 1 . . . . . 149 ASN HN . 50310 1 224 . 1 . 1 171 171 ASN N N 15 114.652 . . 1 . . . . . 149 ASN N . 50310 1 225 . 1 . 1 174 174 ASP H H 1 8.930 . . 1 . . . . . 152 ASP HN . 50310 1 226 . 1 . 1 174 174 ASP N N 15 117.645 . . 1 . . . . . 152 ASP N . 50310 1 227 . 1 . 1 175 175 ALA H H 1 7.748 . . 1 . . . . . 153 ALA HN . 50310 1 228 . 1 . 1 175 175 ALA N N 15 115.871 . . 1 . . . . . 153 ALA N . 50310 1 229 . 1 . 1 176 176 VAL H H 1 9.144 . . 1 . . . . . 154 VAL HN . 50310 1 230 . 1 . 1 176 176 VAL N N 15 120.758 . . 1 . . . . . 154 VAL N . 50310 1 231 . 1 . 1 177 177 LEU H H 1 7.352 . . 1 . . . . . 155 LEU HN . 50310 1 232 . 1 . 1 177 177 LEU N N 15 127.270 . . 1 . . . . . 155 LEU N . 50310 1 233 . 1 . 1 178 178 HIS H H 1 8.411 . . 1 . . . . . 156 HIS HN . 50310 1 234 . 1 . 1 178 178 HIS N N 15 122.527 . . 1 . . . . . 156 HIS N . 50310 1 235 . 1 . 1 179 179 ASP H H 1 6.754 . . 1 . . . . . 157 ASP HN . 50310 1 236 . 1 . 1 179 179 ASP N N 15 120.103 . . 1 . . . . . 157 ASP N . 50310 1 237 . 1 . 1 184 184 LEU H H 1 8.365 . . 1 . . . . . 162 LEU HN . 50310 1 238 . 1 . 1 184 184 LEU N N 15 115.732 . . 1 . . . . . 162 LEU N . 50310 1 239 . 1 . 1 189 189 THR H H 1 7.562 . . 1 . . . . . 167 THR HN . 50310 1 240 . 1 . 1 189 189 THR N N 15 108.131 . . 1 . . . . . 167 THR N . 50310 1 241 . 1 . 1 191 191 GLY H H 1 7.519 . . 1 . . . . . 169 GLY HN . 50310 1 242 . 1 . 1 191 191 GLY N N 15 106.587 . . 1 . . . . . 169 GLY N . 50310 1 243 . 1 . 1 192 192 ASN H H 1 8.429 . . 1 . . . . . 170 ASN HN . 50310 1 244 . 1 . 1 192 192 ASN N N 15 118.212 . . 1 . . . . . 170 ASN N . 50310 1 245 . 1 . 1 193 193 GLY H H 1 8.505 . . 1 . . . . . 171 GLY HN . 50310 1 246 . 1 . 1 193 193 GLY N N 15 108.361 . . 1 . . . . . 171 GLY N . 50310 1 247 . 1 . 1 194 194 GLN H H 1 8.362 . . 1 . . . . . 172 GLN HN . 50310 1 248 . 1 . 1 194 194 GLN N N 15 117.276 . . 1 . . . . . 172 GLN N . 50310 1 249 . 1 . 1 195 195 PHE H H 1 7.856 . . 1 . . . . . 173 PHE HN . 50310 1 250 . 1 . 1 195 195 PHE N N 15 117.440 . . 1 . . . . . 173 PHE N . 50310 1 251 . 1 . 1 196 196 LYS H H 1 9.329 . . 1 . . . . . 174 LYS HN . 50310 1 252 . 1 . 1 196 196 LYS N N 15 117.824 . . 1 . . . . . 174 LYS N . 50310 1 253 . 1 . 1 197 197 ALA H H 1 8.601 . . 1 . . . . . 175 ALA HN . 50310 1 254 . 1 . 1 197 197 ALA N N 15 125.056 . . 1 . . . . . 175 ALA N . 50310 1 255 . 1 . 1 198 198 VAL H H 1 8.489 . . 1 . . . . . 176 VAL HN . 50310 1 256 . 1 . 1 198 198 VAL N N 15 116.664 . . 1 . . . . . 176 VAL N . 50310 1 257 . 1 . 1 199 199 GLY H H 1 8.155 . . 1 . . . . . 177 GLY HN . 50310 1 258 . 1 . 1 199 199 GLY N N 15 108.745 . . 1 . . . . . 177 GLY N . 50310 1 259 . 1 . 1 200 200 ASP H H 1 7.710 . . 1 . . . . . 178 ASP HN . 50310 1 260 . 1 . 1 200 200 ASP N N 15 117.797 . . 1 . . . . . 178 ASP N . 50310 1 261 . 1 . 1 201 201 SER H H 1 8.299 . . 1 . . . . . 179 SER HN . 50310 1 262 . 1 . 1 201 201 SER N N 15 114.517 . . 1 . . . . . 179 SER N . 50310 1 263 . 1 . 1 202 202 LEU H H 1 9.805 . . 1 . . . . . 180 LEU HN . 50310 1 264 . 1 . 1 202 202 LEU N N 15 129.305 . . 1 . . . . . 180 LEU N . 50310 1 265 . 1 . 1 203 203 GLU H H 1 8.679 . . 1 . . . . . 181 GLU HN . 50310 1 266 . 1 . 1 203 203 GLU N N 15 118.233 . . 1 . . . . . 181 GLU N . 50310 1 267 . 1 . 1 204 204 ALA H H 1 7.701 . . 1 . . . . . 182 ALA HN . 50310 1 268 . 1 . 1 204 204 ALA N N 15 118.684 . . 1 . . . . . 182 ALA N . 50310 1 269 . 1 . 1 205 205 GLN H H 1 7.654 . . 1 . . . . . 183 GLN HN . 50310 1 270 . 1 . 1 205 205 GLN N N 15 119.009 . . 1 . . . . . 183 GLN N . 50310 1 271 . 1 . 1 206 206 GLN H H 1 8.602 . . 1 . . . . . 184 GLN HN . 50310 1 272 . 1 . 1 206 206 GLN N N 15 118.558 . . 1 . . . . . 184 GLN N . 50310 1 273 . 1 . 1 208 208 GLY H H 1 8.608 . . 1 . . . . . 186 GLY HN . 50310 1 274 . 1 . 1 208 208 GLY N N 15 105.619 . . 1 . . . . . 186 GLY N . 50310 1 275 . 1 . 1 209 209 ILE H H 1 8.115 . . 1 . . . . . 187 ILE HN . 50310 1 276 . 1 . 1 209 209 ILE N N 15 126.809 . . 1 . . . . . 187 ILE N . 50310 1 277 . 1 . 1 210 210 ALA H H 1 8.473 . . 1 . . . . . 188 ALA HN . 50310 1 278 . 1 . 1 210 210 ALA N N 15 130.992 . . 1 . . . . . 188 ALA N . 50310 1 279 . 1 . 1 213 213 LYS H H 1 9.129 . . 1 . . . . . 191 LYS HN . 50310 1 280 . 1 . 1 213 213 LYS N N 15 123.050 . . 1 . . . . . 191 LYS N . 50310 1 281 . 1 . 1 214 214 GLY H H 1 8.963 . . 1 . . . . . 192 GLY HN . 50310 1 282 . 1 . 1 214 214 GLY N N 15 110.443 . . 1 . . . . . 192 GLY N . 50310 1 283 . 1 . 1 215 215 SER H H 1 8.049 . . 1 . . . . . 193 SER HN . 50310 1 284 . 1 . 1 215 215 SER N N 15 120.250 . . 1 . . . . . 193 SER N . 50310 1 285 . 1 . 1 216 216 ASP H H 1 7.852 . . 1 . . . . . 194 ASP HN . 50310 1 286 . 1 . 1 216 216 ASP N N 15 118.399 . . 1 . . . . . 194 ASP N . 50310 1 287 . 1 . 1 217 217 GLU H H 1 8.556 . . 1 . . . . . 195 GLU HN . 50310 1 288 . 1 . 1 217 217 GLU N N 15 118.991 . . 1 . . . . . 195 GLU N . 50310 1 289 . 1 . 1 222 222 VAL H H 1 8.763 . . 1 . . . . . 200 VAL HN . 50310 1 290 . 1 . 1 222 222 VAL N N 15 122.813 . . 1 . . . . . 200 VAL N . 50310 1 291 . 1 . 1 224 224 GLY H H 1 8.177 . . 1 . . . . . 202 GLY HN . 50310 1 292 . 1 . 1 224 224 GLY N N 15 108.757 . . 1 . . . . . 202 GLY N . 50310 1 293 . 1 . 1 233 233 GLY H H 1 7.297 . . 1 . . . . . 211 GLY HN . 50310 1 294 . 1 . 1 233 233 GLY N N 15 106.665 . . 1 . . . . . 211 GLY N . 50310 1 295 . 1 . 1 238 238 ILE H H 1 8.211 . . 1 . . . . . 216 ILE HN . 50310 1 296 . 1 . 1 238 238 ILE N N 15 122.180 . . 1 . . . . . 216 ILE N . 50310 1 297 . 1 . 1 239 239 TYR H H 1 9.040 . . 1 . . . . . 217 TYR HN . 50310 1 298 . 1 . 1 239 239 TYR N N 15 121.255 . . 1 . . . . . 217 TYR N . 50310 1 299 . 1 . 1 240 240 LYS H H 1 8.894 . . 1 . . . . . 218 LYS HN . 50310 1 300 . 1 . 1 240 240 LYS N N 15 119.216 . . 1 . . . . . 218 LYS N . 50310 1 301 . 1 . 1 242 242 TRP H H 1 6.960 . . 1 . . . . . 220 TRP HN . 50310 1 302 . 1 . 1 242 242 TRP N N 15 115.307 . . 1 . . . . . 220 TRP N . 50310 1 stop_ save_