data_51156 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51156 _Entry.Title ; Backbone NMR resonance assignments of the nucleotide binding domain of the Bacillus subtilis ABC multidrug transporter BmrA in the ADP-bound state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-26 _Entry.Accession_date 2021-10-26 _Entry.Last_release_date 2021-10-26 _Entry.Original_release_date 2021-10-26 _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 . _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 'Victor Hugo' 'Perez Carrillo' . . . . 51156 2 Dania Rose-Sperling . . . . 51156 3 'Mai Ahn' Tran . . . . 51156 4 Christoph Wiedemann . . . . 51156 5 Ute Hellmich . . . . 51156 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51156 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 711 51156 '15N chemical shifts' 244 51156 '1H chemical shifts' 244 51156 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-05-20 2021-10-26 update BMRB 'update entry citation' 51156 1 . . 2022-01-07 2021-10-26 original author 'original release' 51156 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51156 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34988902 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone NMR assignment of the nucleotide binding domain of the Bacillus subtilis ABC multidrug transporter BmrA in the post-hydrolysis state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 81 _Citation.Page_last 86 _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 'Victor Hugo' 'Perez Carrillo' . . . . 51156 1 2 Dania Rose-Sperling . . . . 51156 1 3 'Mai Ahn' Tran . . . . 51156 1 4 Christoph Wiedemann . . . . 51156 1 5 Ute Hellmich . . . . 51156 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51156 _Assembly.ID 1 _Assembly.Name 'BmrA NBD' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _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 'BmrA NBD' 1 $entity_1 . . yes native no no . . . 51156 1 2 ADP 2 $entity_ADP . . no native no no . . . 51156 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51156 _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 ; GKQIENAHLPIQLDRVSFGY KPDQLILKEVSAVIEAGKVT AIVGPSGGGKTTLFKLLERF YSPTAGTIRLGDEPVDTYSL ESWREHIGYVSQESPLMSGT IRENICYGLERDVTDAEIEK AAEMAYALNFIKELPNQFDT EVGERGIMLSGGQRQRIAIA RALLRNPSILMLDEATSSLD SQSEKSVQQALEVLMEGRTT IVIAHRLSTVVDADQLLFVE KGEITGRGTHHELMASHGLY RDFAEQQLKMNADLENKAG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 259 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . GLY . 51156 1 2 . LYS . 51156 1 3 . GLN . 51156 1 4 . ILE . 51156 1 5 . GLU . 51156 1 6 . ASN . 51156 1 7 . ALA . 51156 1 8 . HIS . 51156 1 9 . LEU . 51156 1 10 . PRO . 51156 1 11 . ILE . 51156 1 12 . GLN . 51156 1 13 . LEU . 51156 1 14 . ASP . 51156 1 15 . ARG . 51156 1 16 . VAL . 51156 1 17 . SER . 51156 1 18 . PHE . 51156 1 19 . GLY . 51156 1 20 . TYR . 51156 1 21 . LYS . 51156 1 22 . PRO . 51156 1 23 . ASP . 51156 1 24 . GLN . 51156 1 25 . LEU . 51156 1 26 . ILE . 51156 1 27 . LEU . 51156 1 28 . LYS . 51156 1 29 . GLU . 51156 1 30 . VAL . 51156 1 31 . SER . 51156 1 32 . ALA . 51156 1 33 . VAL . 51156 1 34 . ILE . 51156 1 35 . GLU . 51156 1 36 . ALA . 51156 1 37 . GLY . 51156 1 38 . LYS . 51156 1 39 . VAL . 51156 1 40 . THR . 51156 1 41 . ALA . 51156 1 42 . ILE . 51156 1 43 . VAL . 51156 1 44 . GLY . 51156 1 45 . PRO . 51156 1 46 . SER . 51156 1 47 . GLY . 51156 1 48 . GLY . 51156 1 49 . GLY . 51156 1 50 . LYS . 51156 1 51 . THR . 51156 1 52 . THR . 51156 1 53 . LEU . 51156 1 54 . PHE . 51156 1 55 . LYS . 51156 1 56 . LEU . 51156 1 57 . LEU . 51156 1 58 . GLU . 51156 1 59 . ARG . 51156 1 60 . PHE . 51156 1 61 . TYR . 51156 1 62 . SER . 51156 1 63 . PRO . 51156 1 64 . THR . 51156 1 65 . ALA . 51156 1 66 . GLY . 51156 1 67 . THR . 51156 1 68 . ILE . 51156 1 69 . ARG . 51156 1 70 . LEU . 51156 1 71 . GLY . 51156 1 72 . ASP . 51156 1 73 . GLU . 51156 1 74 . PRO . 51156 1 75 . VAL . 51156 1 76 . ASP . 51156 1 77 . THR . 51156 1 78 . TYR . 51156 1 79 . SER . 51156 1 80 . LEU . 51156 1 81 . GLU . 51156 1 82 . SER . 51156 1 83 . TRP . 51156 1 84 . ARG . 51156 1 85 . GLU . 51156 1 86 . HIS . 51156 1 87 . ILE . 51156 1 88 . GLY . 51156 1 89 . TYR . 51156 1 90 . VAL . 51156 1 91 . SER . 51156 1 92 . GLN . 51156 1 93 . GLU . 51156 1 94 . SER . 51156 1 95 . PRO . 51156 1 96 . LEU . 51156 1 97 . MET . 51156 1 98 . SER . 51156 1 99 . GLY . 51156 1 100 . THR . 51156 1 101 . ILE . 51156 1 102 . ARG . 51156 1 103 . GLU . 51156 1 104 . ASN . 51156 1 105 . ILE . 51156 1 106 . CYS . 51156 1 107 . TYR . 51156 1 108 . GLY . 51156 1 109 . LEU . 51156 1 110 . GLU . 51156 1 111 . ARG . 51156 1 112 . ASP . 51156 1 113 . VAL . 51156 1 114 . THR . 51156 1 115 . ASP . 51156 1 116 . ALA . 51156 1 117 . GLU . 51156 1 118 . ILE . 51156 1 119 . GLU . 51156 1 120 . LYS . 51156 1 121 . ALA . 51156 1 122 . ALA . 51156 1 123 . GLU . 51156 1 124 . MET . 51156 1 125 . ALA . 51156 1 126 . TYR . 51156 1 127 . ALA . 51156 1 128 . LEU . 51156 1 129 . ASN . 51156 1 130 . PHE . 51156 1 131 . ILE . 51156 1 132 . LYS . 51156 1 133 . GLU . 51156 1 134 . LEU . 51156 1 135 . PRO . 51156 1 136 . ASN . 51156 1 137 . GLN . 51156 1 138 . PHE . 51156 1 139 . ASP . 51156 1 140 . THR . 51156 1 141 . GLU . 51156 1 142 . VAL . 51156 1 143 . GLY . 51156 1 144 . GLU . 51156 1 145 . ARG . 51156 1 146 . GLY . 51156 1 147 . ILE . 51156 1 148 . MET . 51156 1 149 . LEU . 51156 1 150 . SER . 51156 1 151 . GLY . 51156 1 152 . GLY . 51156 1 153 . GLN . 51156 1 154 . ARG . 51156 1 155 . GLN . 51156 1 156 . ARG . 51156 1 157 . ILE . 51156 1 158 . ALA . 51156 1 159 . ILE . 51156 1 160 . ALA . 51156 1 161 . ARG . 51156 1 162 . ALA . 51156 1 163 . LEU . 51156 1 164 . LEU . 51156 1 165 . ARG . 51156 1 166 . ASN . 51156 1 167 . PRO . 51156 1 168 . SER . 51156 1 169 . ILE . 51156 1 170 . LEU . 51156 1 171 . MET . 51156 1 172 . LEU . 51156 1 173 . ASP . 51156 1 174 . GLU . 51156 1 175 . ALA . 51156 1 176 . THR . 51156 1 177 . SER . 51156 1 178 . SER . 51156 1 179 . LEU . 51156 1 180 . ASP . 51156 1 181 . SER . 51156 1 182 . GLN . 51156 1 183 . SER . 51156 1 184 . GLU . 51156 1 185 . LYS . 51156 1 186 . SER . 51156 1 187 . VAL . 51156 1 188 . GLN . 51156 1 189 . GLN . 51156 1 190 . ALA . 51156 1 191 . LEU . 51156 1 192 . GLU . 51156 1 193 . VAL . 51156 1 194 . LEU . 51156 1 195 . MET . 51156 1 196 . GLU . 51156 1 197 . GLY . 51156 1 198 . ARG . 51156 1 199 . THR . 51156 1 200 . THR . 51156 1 201 . ILE . 51156 1 202 . VAL . 51156 1 203 . ILE . 51156 1 204 . ALA . 51156 1 205 . HIS . 51156 1 206 . ARG . 51156 1 207 . LEU . 51156 1 208 . SER . 51156 1 209 . THR . 51156 1 210 . VAL . 51156 1 211 . VAL . 51156 1 212 . ASP . 51156 1 213 . ALA . 51156 1 214 . ASP . 51156 1 215 . GLN . 51156 1 216 . LEU . 51156 1 217 . LEU . 51156 1 218 . PHE . 51156 1 219 . VAL . 51156 1 220 . GLU . 51156 1 221 . LYS . 51156 1 222 . GLY . 51156 1 223 . GLU . 51156 1 224 . ILE . 51156 1 225 . THR . 51156 1 226 . GLY . 51156 1 227 . ARG . 51156 1 228 . GLY . 51156 1 229 . THR . 51156 1 230 . HIS . 51156 1 231 . HIS . 51156 1 232 . GLU . 51156 1 233 . LEU . 51156 1 234 . MET . 51156 1 235 . ALA . 51156 1 236 . SER . 51156 1 237 . HIS . 51156 1 238 . GLY . 51156 1 239 . LEU . 51156 1 240 . TYR . 51156 1 241 . ARG . 51156 1 242 . ASP . 51156 1 243 . PHE . 51156 1 244 . ALA . 51156 1 245 . GLU . 51156 1 246 . GLN . 51156 1 247 . GLN . 51156 1 248 . LEU . 51156 1 249 . LYS . 51156 1 250 . MET . 51156 1 251 . ASN . 51156 1 252 . ALA . 51156 1 253 . ASP . 51156 1 254 . LEU . 51156 1 255 . GLU . 51156 1 256 . ASN . 51156 1 257 . LYS . 51156 1 258 . ALA . 51156 1 259 . GLY . 51156 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 . GLY 1 1 51156 1 . LYS 2 2 51156 1 . GLN 3 3 51156 1 . ILE 4 4 51156 1 . GLU 5 5 51156 1 . ASN 6 6 51156 1 . ALA 7 7 51156 1 . HIS 8 8 51156 1 . LEU 9 9 51156 1 . PRO 10 10 51156 1 . ILE 11 11 51156 1 . GLN 12 12 51156 1 . LEU 13 13 51156 1 . ASP 14 14 51156 1 . ARG 15 15 51156 1 . VAL 16 16 51156 1 . SER 17 17 51156 1 . PHE 18 18 51156 1 . GLY 19 19 51156 1 . TYR 20 20 51156 1 . LYS 21 21 51156 1 . PRO 22 22 51156 1 . ASP 23 23 51156 1 . GLN 24 24 51156 1 . LEU 25 25 51156 1 . ILE 26 26 51156 1 . LEU 27 27 51156 1 . LYS 28 28 51156 1 . GLU 29 29 51156 1 . VAL 30 30 51156 1 . SER 31 31 51156 1 . ALA 32 32 51156 1 . VAL 33 33 51156 1 . ILE 34 34 51156 1 . GLU 35 35 51156 1 . ALA 36 36 51156 1 . GLY 37 37 51156 1 . LYS 38 38 51156 1 . VAL 39 39 51156 1 . THR 40 40 51156 1 . ALA 41 41 51156 1 . ILE 42 42 51156 1 . VAL 43 43 51156 1 . GLY 44 44 51156 1 . PRO 45 45 51156 1 . SER 46 46 51156 1 . GLY 47 47 51156 1 . GLY 48 48 51156 1 . GLY 49 49 51156 1 . LYS 50 50 51156 1 . THR 51 51 51156 1 . THR 52 52 51156 1 . LEU 53 53 51156 1 . PHE 54 54 51156 1 . LYS 55 55 51156 1 . LEU 56 56 51156 1 . LEU 57 57 51156 1 . GLU 58 58 51156 1 . ARG 59 59 51156 1 . PHE 60 60 51156 1 . TYR 61 61 51156 1 . SER 62 62 51156 1 . PRO 63 63 51156 1 . THR 64 64 51156 1 . ALA 65 65 51156 1 . GLY 66 66 51156 1 . THR 67 67 51156 1 . ILE 68 68 51156 1 . ARG 69 69 51156 1 . LEU 70 70 51156 1 . GLY 71 71 51156 1 . ASP 72 72 51156 1 . GLU 73 73 51156 1 . PRO 74 74 51156 1 . VAL 75 75 51156 1 . ASP 76 76 51156 1 . THR 77 77 51156 1 . TYR 78 78 51156 1 . SER 79 79 51156 1 . LEU 80 80 51156 1 . GLU 81 81 51156 1 . SER 82 82 51156 1 . TRP 83 83 51156 1 . ARG 84 84 51156 1 . GLU 85 85 51156 1 . HIS 86 86 51156 1 . ILE 87 87 51156 1 . GLY 88 88 51156 1 . TYR 89 89 51156 1 . VAL 90 90 51156 1 . SER 91 91 51156 1 . GLN 92 92 51156 1 . GLU 93 93 51156 1 . SER 94 94 51156 1 . PRO 95 95 51156 1 . LEU 96 96 51156 1 . MET 97 97 51156 1 . SER 98 98 51156 1 . GLY 99 99 51156 1 . THR 100 100 51156 1 . ILE 101 101 51156 1 . ARG 102 102 51156 1 . GLU 103 103 51156 1 . ASN 104 104 51156 1 . ILE 105 105 51156 1 . CYS 106 106 51156 1 . TYR 107 107 51156 1 . GLY 108 108 51156 1 . LEU 109 109 51156 1 . GLU 110 110 51156 1 . ARG 111 111 51156 1 . ASP 112 112 51156 1 . VAL 113 113 51156 1 . THR 114 114 51156 1 . ASP 115 115 51156 1 . ALA 116 116 51156 1 . GLU 117 117 51156 1 . ILE 118 118 51156 1 . GLU 119 119 51156 1 . LYS 120 120 51156 1 . ALA 121 121 51156 1 . ALA 122 122 51156 1 . GLU 123 123 51156 1 . MET 124 124 51156 1 . ALA 125 125 51156 1 . TYR 126 126 51156 1 . ALA 127 127 51156 1 . LEU 128 128 51156 1 . ASN 129 129 51156 1 . PHE 130 130 51156 1 . ILE 131 131 51156 1 . LYS 132 132 51156 1 . GLU 133 133 51156 1 . LEU 134 134 51156 1 . PRO 135 135 51156 1 . ASN 136 136 51156 1 . GLN 137 137 51156 1 . PHE 138 138 51156 1 . ASP 139 139 51156 1 . THR 140 140 51156 1 . GLU 141 141 51156 1 . VAL 142 142 51156 1 . GLY 143 143 51156 1 . GLU 144 144 51156 1 . ARG 145 145 51156 1 . GLY 146 146 51156 1 . ILE 147 147 51156 1 . MET 148 148 51156 1 . LEU 149 149 51156 1 . SER 150 150 51156 1 . GLY 151 151 51156 1 . GLY 152 152 51156 1 . GLN 153 153 51156 1 . ARG 154 154 51156 1 . GLN 155 155 51156 1 . ARG 156 156 51156 1 . ILE 157 157 51156 1 . ALA 158 158 51156 1 . ILE 159 159 51156 1 . ALA 160 160 51156 1 . ARG 161 161 51156 1 . ALA 162 162 51156 1 . LEU 163 163 51156 1 . LEU 164 164 51156 1 . ARG 165 165 51156 1 . ASN 166 166 51156 1 . PRO 167 167 51156 1 . SER 168 168 51156 1 . ILE 169 169 51156 1 . LEU 170 170 51156 1 . MET 171 171 51156 1 . LEU 172 172 51156 1 . ASP 173 173 51156 1 . GLU 174 174 51156 1 . ALA 175 175 51156 1 . THR 176 176 51156 1 . SER 177 177 51156 1 . SER 178 178 51156 1 . LEU 179 179 51156 1 . ASP 180 180 51156 1 . SER 181 181 51156 1 . GLN 182 182 51156 1 . SER 183 183 51156 1 . GLU 184 184 51156 1 . LYS 185 185 51156 1 . SER 186 186 51156 1 . VAL 187 187 51156 1 . GLN 188 188 51156 1 . GLN 189 189 51156 1 . ALA 190 190 51156 1 . LEU 191 191 51156 1 . GLU 192 192 51156 1 . VAL 193 193 51156 1 . LEU 194 194 51156 1 . MET 195 195 51156 1 . GLU 196 196 51156 1 . GLY 197 197 51156 1 . ARG 198 198 51156 1 . THR 199 199 51156 1 . THR 200 200 51156 1 . ILE 201 201 51156 1 . VAL 202 202 51156 1 . ILE 203 203 51156 1 . ALA 204 204 51156 1 . HIS 205 205 51156 1 . ARG 206 206 51156 1 . LEU 207 207 51156 1 . SER 208 208 51156 1 . THR 209 209 51156 1 . VAL 210 210 51156 1 . VAL 211 211 51156 1 . ASP 212 212 51156 1 . ALA 213 213 51156 1 . ASP 214 214 51156 1 . GLN 215 215 51156 1 . LEU 216 216 51156 1 . LEU 217 217 51156 1 . PHE 218 218 51156 1 . VAL 219 219 51156 1 . GLU 220 220 51156 1 . LYS 221 221 51156 1 . GLY 222 222 51156 1 . GLU 223 223 51156 1 . ILE 224 224 51156 1 . THR 225 225 51156 1 . GLY 226 226 51156 1 . ARG 227 227 51156 1 . GLY 228 228 51156 1 . THR 229 229 51156 1 . HIS 230 230 51156 1 . HIS 231 231 51156 1 . GLU 232 232 51156 1 . LEU 233 233 51156 1 . MET 234 234 51156 1 . ALA 235 235 51156 1 . SER 236 236 51156 1 . HIS 237 237 51156 1 . GLY 238 238 51156 1 . LEU 239 239 51156 1 . TYR 240 240 51156 1 . ARG 241 241 51156 1 . ASP 242 242 51156 1 . PHE 243 243 51156 1 . ALA 244 244 51156 1 . GLU 245 245 51156 1 . GLN 246 246 51156 1 . GLN 247 247 51156 1 . LEU 248 248 51156 1 . LYS 249 249 51156 1 . MET 250 250 51156 1 . ASN 251 251 51156 1 . ALA 252 252 51156 1 . ASP 253 253 51156 1 . LEU 254 254 51156 1 . GLU 255 255 51156 1 . ASN 256 256 51156 1 . LYS 257 257 51156 1 . ALA 258 258 51156 1 . GLY 259 259 51156 1 stop_ save_ save_entity_ADP _Entity.Sf_category entity _Entity.Sf_framecode entity_ADP _Entity.Entry_ID 51156 _Entity.ID 2 _Entity.BMRB_code ADP _Entity.Name entity_ADP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ADP _Entity.Nonpolymer_comp_label $chem_comp_ADP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 427.201 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ADENOSINE-5'-DIPHOSPHATE BMRB 51156 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ADENOSINE-5'-DIPHOSPHATE BMRB 51156 2 ADP 'Three letter code' 51156 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ADP $chem_comp_ADP 51156 2 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 51156 _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 . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . 51156 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 51156 _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 . . 'pET 11a' . . . 51156 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ADP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ADP _Chem_comp.Entry_ID 51156 _Chem_comp.ID ADP _Chem_comp.Provenance PDB _Chem_comp.Name ADENOSINE-5'-DIPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ADP _Chem_comp.PDB_code ADP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ADP _Chem_comp.Number_atoms_all 42 _Chem_comp.Number_atoms_nh 27 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID A _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H15 N5 O10 P2' _Chem_comp.Formula_weight 427.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1PHP _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ; InChI InChI 1.03 51156 ADP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 51156 ADP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 51156 ADP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 51156 ADP XTWYTFMLZFPYCI-KQYNXXCUSA-N InChIKey InChI 1.03 51156 ADP c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 51156 ADP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51156 ADP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51156 ADP "adenosine 5'-(trihydrogen diphosphate)" 'SYSTEMATIC NAME' ACDLabs 10.04 51156 ADP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PB PB PB PB . P . . N 0 . . . 1 N N . . . . 44.669 . 2.928 . 38.556 . 1.162 -0.221 -5.685 1 . 51156 ADP O1B O1B O1B O1B . O . . N 0 . . . 1 N N . . . . 46.021 . 3.508 . 38.317 . 1.725 1.133 -5.492 2 . 51156 ADP O2B O2B O2B O2B . O . . N 0 . . . 1 N N . . . . 43.709 . 3.812 . 37.905 . 2.190 -1.112 -6.546 3 . 51156 ADP O3B O3B O3B O3B . O . . N 0 . . . 1 N N . . . . 44.459 . 1.449 . 38.382 . -0.240 -0.113 -6.467 4 . 51156 ADP PA PA PA PA . P . . S 0 . . . 1 N N . . . . 43.230 . 2.955 . 41.110 . -0.105 0.025 -3.446 5 . 51156 ADP O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 41.975 . 3.497 . 40.573 . 0.476 1.376 -3.288 6 . 51156 ADP O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 42.962 . 1.501 . 41.401 . -1.487 0.129 -4.266 7 . 51156 ADP O3A O3A O3A O3A . O . . N 0 . . . 1 N N . . . . 44.522 . 3.210 . 40.212 . 0.925 -0.913 -4.250 8 . 51156 ADP O5' O5' O5' O5* . O . . N 0 . . . 1 N N . . . . 43.462 . 3.832 . 42.407 . -0.389 -0.609 -1.994 9 . 51156 ADP C5' C5' C5' C5* . C . . N 0 . . . 1 N N . . . . 43.735 . 5.246 . 42.335 . -1.307 0.264 -1.333 10 . 51156 ADP C4' C4' C4' C4* . C . . R 0 . . . 1 N N . . . . 43.095 . 5.810 . 43.626 . -1.620 -0.284 0.059 11 . 51156 ADP O4' O4' O4' O4* . O . . N 0 . . . 1 N N . . . . 43.764 . 5.261 . 44.779 . -0.417 -0.348 0.857 12 . 51156 ADP C3' C3' C3' C3* . C . . S 0 . . . 1 N N . . . . 43.337 . 7.325 . 43.617 . -2.550 0.683 0.825 13 . 51156 ADP O3' O3' O3' O3* . O . . N 0 . . . 1 N N . . . . 42.056 . 7.988 . 43.560 . -3.907 0.245 0.739 14 . 51156 ADP C2' C2' C2' C2* . C . . R 0 . . . 1 N N . . . . 43.946 . 7.593 . 45.083 . -2.047 0.611 2.286 15 . 51156 ADP O2' O2' O2' O2* . O . . N 0 . . . 1 N N . . . . 43.554 . 8.726 . 45.877 . -3.080 0.129 3.148 16 . 51156 ADP C1' C1' C1' C1* . C . . R 0 . . . 1 N N . . . . 43.613 . 6.275 . 45.813 . -0.871 -0.388 2.227 17 . 51156 ADP N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 44.375 . 5.781 . 46.991 . 0.201 0.031 3.132 18 . 51156 ADP C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 45.711 . 5.486 . 47.062 . 1.231 0.870 2.827 19 . 51156 ADP N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 46.202 . 5.379 . 48.282 . 2.000 1.027 3.865 20 . 51156 ADP C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 45.067 . 5.597 . 49.064 . 1.509 0.305 4.902 21 . 51156 ADP C6 C6 C6 C6 . C . . N 0 . . . 1 Y N . . . . 44.883 . 5.623 . 50.499 . 1.910 0.087 6.231 22 . 51156 ADP N6 N6 N6 N6 . N . . N 0 . . . 1 N N . . . . 45.912 . 5.433 . 51.325 . 3.044 0.697 6.738 23 . 51156 ADP N1 N1 N1 N1 . N . . N 0 . . . 1 Y N . . . . 43.626 . 5.852 . 50.896 . 1.171 -0.714 6.991 24 . 51156 ADP C2 C2 C2 C2 . C . . N 0 . . . 1 Y N . . . . 42.590 . 6.076 . 50.067 . 0.088 -1.300 6.516 25 . 51156 ADP N3 N3 N3 N3 . N . . N 0 . . . 1 Y N . . . . 42.675 . 6.067 . 48.735 . -0.321 -1.130 5.277 26 . 51156 ADP C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 43.951 . 5.821 . 48.304 . 0.353 -0.346 4.442 27 . 51156 ADP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 N N . . . . 42.847 . 3.442 . 38.057 . 2.304 -0.664 -7.396 28 . 51156 ADP HOB3 HOB3 HOB3 3HOB . H . . N 0 . . . 0 N N . . . . 43.597 . 1.079 . 38.534 . -0.572 -1.016 -6.571 29 . 51156 ADP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 N N . . . . 43.773 . 1.150 . 41.748 . -1.833 -0.770 -4.346 30 . 51156 ADP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 N N . . . . 44.812 . 5.500 . 42.206 . -2.227 0.330 -1.913 31 . 51156 ADP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 N N . . . . 43.385 . 5.735 . 41.396 . -0.862 1.255 -1.242 32 . 51156 ADP H4' H4' H4' H4* . H . . N 0 . . . 1 N N . . . . 42.010 . 5.556 . 43.668 . -2.078 -1.270 -0.015 33 . 51156 ADP H3' H3' H3' H3* . H . . N 0 . . . 1 N N . . . . 43.978 . 7.672 . 42.773 . -2.451 1.696 0.435 34 . 51156 ADP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 N N . . . . 42.205 . 8.926 . 43.554 . -4.439 0.884 1.233 35 . 51156 ADP H2' H2' H2' H2* . H . . N 0 . . . 1 N N . . . . 45.014 . 7.879 . 44.941 . -1.699 1.589 2.618 36 . 51156 ADP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 N N . . . . 43.913 . 8.884 . 46.742 . -3.807 0.764 3.094 37 . 51156 ADP H1' H1' H1' H1* . H . . N 0 . . . 1 N N . . . . 42.621 . 6.482 . 46.279 . -1.212 -1.391 2.485 38 . 51156 ADP H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 46.358 . 5.341 . 46.181 . 1.387 1.335 1.865 39 . 51156 ADP HN61 HN61 HN61 1HN6 . H . . N 0 . . . 0 N N . . . . 45.782 . 5.451 . 52.336 . 3.308 0.542 7.658 40 . 51156 ADP HN62 HN62 HN62 2HN6 . H . . N 0 . . . 0 N N . . . . 46.639 . 6.107 . 51.086 . 3.577 1.277 6.172 41 . 51156 ADP H2 H2 H2 H2 . H . . N 0 . . . 1 N N . . . . 41.601 . 6.281 . 50.510 . -0.482 -1.944 7.169 42 . 51156 ADP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B N N 1 . 51156 ADP 2 . SING PB O2B N N 2 . 51156 ADP 3 . SING PB O3B N N 3 . 51156 ADP 4 . SING PB O3A N N 4 . 51156 ADP 5 . SING O2B HOB2 N N 5 . 51156 ADP 6 . SING O3B HOB3 N N 6 . 51156 ADP 7 . DOUB PA O1A N N 7 . 51156 ADP 8 . SING PA O2A N N 8 . 51156 ADP 9 . SING PA O3A N N 9 . 51156 ADP 10 . SING PA O5' N N 10 . 51156 ADP 11 . SING O2A HOA2 N N 11 . 51156 ADP 12 . SING O5' C5' N N 12 . 51156 ADP 13 . SING C5' C4' N N 13 . 51156 ADP 14 . SING C5' H5'1 N N 14 . 51156 ADP 15 . SING C5' H5'2 N N 15 . 51156 ADP 16 . SING C4' O4' N N 16 . 51156 ADP 17 . SING C4' C3' N N 17 . 51156 ADP 18 . SING C4' H4' N N 18 . 51156 ADP 19 . SING O4' C1' N N 19 . 51156 ADP 20 . SING C3' O3' N N 20 . 51156 ADP 21 . SING C3' C2' N N 21 . 51156 ADP 22 . SING C3' H3' N N 22 . 51156 ADP 23 . SING O3' HO3' N N 23 . 51156 ADP 24 . SING C2' O2' N N 24 . 51156 ADP 25 . SING C2' C1' N N 25 . 51156 ADP 26 . SING C2' H2' N N 26 . 51156 ADP 27 . SING O2' HO2' N N 27 . 51156 ADP 28 . SING C1' N9 N N 28 . 51156 ADP 29 . SING C1' H1' N N 29 . 51156 ADP 30 . SING N9 C8 Y N 30 . 51156 ADP 31 . SING N9 C4 Y N 31 . 51156 ADP 32 . DOUB C8 N7 Y N 32 . 51156 ADP 33 . SING C8 H8 N N 33 . 51156 ADP 34 . SING N7 C5 Y N 34 . 51156 ADP 35 . SING C5 C6 Y N 35 . 51156 ADP 36 . DOUB C5 C4 Y N 36 . 51156 ADP 37 . SING C6 N6 N N 37 . 51156 ADP 38 . DOUB C6 N1 Y N 38 . 51156 ADP 39 . SING N6 HN61 N N 39 . 51156 ADP 40 . SING N6 HN62 N N 40 . 51156 ADP 41 . SING N1 C2 Y N 41 . 51156 ADP 42 . DOUB C2 N3 Y N 42 . 51156 ADP 43 . SING C2 H2 N N 43 . 51156 ADP 44 . SING N3 C4 Y N 44 . 51156 ADP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51156 _Sample.ID 1 _Sample.Name 'BmrA NBD' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'BmrA NBD' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 441 . . uM . . . . 51156 1 2 DSS 'natural abundance' . . . . . . 0.15 . . mM . . . . 51156 1 3 ADP 'natural abundance' . . . . . . 10 . . mM . . . . 51156 1 4 BisTris 'natural abundance' . . . . . . 50 . . mM . . . . 51156 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 51156 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 51156 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'BmrA NBD' _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' 100 . mM 51156 1 pH 7 . pH 51156 1 pressure 1 . atm 51156 1 temperature 298 . K 51156 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51156 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51156 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51156 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51156 2 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 51156 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51156 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 51156 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Bruker Avance' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 51156 _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 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51156 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51156 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51156 1 4 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51156 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51156 1 6 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51156 1 7 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51156 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 51156 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Bmra NBD ref' _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51156 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51156 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51156 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 51156 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BmrA NBD' _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 '3D HNCO' . . . 51156 1 2 '3D HNCA' . . . 51156 1 3 '3D HN(CO)CA' . . . 51156 1 4 '3D HNCACO' . . . 51156 1 5 '3D HNCACB' . . . 51156 1 6 '3D HN(CO)CACB' . . . 51156 1 7 '2D 1H-15N TROSY' . . . 51156 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 . . 51156 1 2 $software_2 . . 51156 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 3 3 GLN H H 1 8.6688 0.020 . 1 . . . . . 3 GLN H . 51156 1 2 . 1 . 1 3 3 GLN C C 13 176.225 0.3 . 1 . . . . . 3 GLN C . 51156 1 3 . 1 . 1 3 3 GLN CA C 13 54.935 0.3 . 1 . . . . . 3 GLN CA . 51156 1 4 . 1 . 1 3 3 GLN CB C 13 29.065 0.3 . 1 . . . . . 3 GLN CB . 51156 1 5 . 1 . 1 3 3 GLN N N 15 120.3769 0.3 . 1 . . . . . 3 GLN N . 51156 1 6 . 1 . 1 4 4 ILE H H 1 8.4708 0.020 . 1 . . . . . 4 ILE H . 51156 1 7 . 1 . 1 4 4 ILE C C 13 176.05 0.3 . 1 . . . . . 4 ILE C . 51156 1 8 . 1 . 1 4 4 ILE CA C 13 61.771 0.3 . 1 . . . . . 4 ILE CA . 51156 1 9 . 1 . 1 4 4 ILE CB C 13 37.288 0.3 . 1 . . . . . 4 ILE CB . 51156 1 10 . 1 . 1 4 4 ILE N N 15 123.0229 0.3 . 1 . . . . . 4 ILE N . 51156 1 11 . 1 . 1 5 5 GLU H H 1 8.6698 0.020 . 1 . . . . . 5 GLU H . 51156 1 12 . 1 . 1 5 5 GLU C C 13 175.925 0.3 . 1 . . . . . 5 GLU C . 51156 1 13 . 1 . 1 5 5 GLU CA C 13 56.724 0.3 . 1 . . . . . 5 GLU CA . 51156 1 14 . 1 . 1 5 5 GLU CB C 13 29.706 0.3 . 1 . . . . . 5 GLU CB . 51156 1 15 . 1 . 1 5 5 GLU N N 15 127.3229 0.3 . 1 . . . . . 5 GLU N . 51156 1 16 . 1 . 1 6 6 ASN H H 1 7.3228 0.020 . 1 . . . . . 6 ASN H . 51156 1 17 . 1 . 1 6 6 ASN C C 13 173.391 0.3 . 1 . . . . . 6 ASN C . 51156 1 18 . 1 . 1 6 6 ASN CA C 13 51.712 0.3 . 1 . . . . . 6 ASN CA . 51156 1 19 . 1 . 1 6 6 ASN CB C 13 37.715 0.3 . 1 . . . . . 6 ASN CB . 51156 1 20 . 1 . 1 6 6 ASN N N 15 116.0709 0.3 . 1 . . . . . 6 ASN N . 51156 1 21 . 1 . 1 7 7 ALA H H 1 8.8948 0.020 . 1 . . . . . 7 ALA H . 51156 1 22 . 1 . 1 7 7 ALA C C 13 176.553 0.3 . 1 . . . . . 7 ALA C . 51156 1 23 . 1 . 1 7 7 ALA CA C 13 50.517 0.3 . 1 . . . . . 7 ALA CA . 51156 1 24 . 1 . 1 7 7 ALA CB C 13 17.158 0.3 . 1 . . . . . 7 ALA CB . 51156 1 25 . 1 . 1 7 7 ALA N N 15 125.3719 0.3 . 1 . . . . . 7 ALA N . 51156 1 26 . 1 . 1 8 8 HIS H H 1 8.3348 0.020 . 1 . . . . . 8 HIS H . 51156 1 27 . 1 . 1 8 8 HIS C C 13 173.739 0.3 . 1 . . . . . 8 HIS C . 51156 1 28 . 1 . 1 8 8 HIS CA C 13 54.347 0.3 . 1 . . . . . 8 HIS CA . 51156 1 29 . 1 . 1 8 8 HIS CB C 13 26.867 0.3 . 1 . . . . . 8 HIS CB . 51156 1 30 . 1 . 1 8 8 HIS N N 15 123.3069 0.3 . 1 . . . . . 8 HIS N . 51156 1 31 . 1 . 1 9 9 LEU H H 1 7.1448 0.020 . 1 . . . . . 9 LEU H . 51156 1 32 . 1 . 1 9 9 LEU C C 13 172.556 0.3 . 1 . . . . . 9 LEU C . 51156 1 33 . 1 . 1 9 9 LEU CA C 13 50.911 0.3 . 1 . . . . . 9 LEU CA . 51156 1 34 . 1 . 1 9 9 LEU CB C 13 44.338 0.3 . 1 . . . . . 9 LEU CB . 51156 1 35 . 1 . 1 9 9 LEU N N 15 121.2339 0.3 . 1 . . . . . 9 LEU N . 51156 1 36 . 1 . 1 11 11 ILE H H 1 8.6868 0.020 . 1 . . . . . 11 ILE H . 51156 1 37 . 1 . 1 11 11 ILE C C 13 175.071 0.3 . 1 . . . . . 11 ILE C . 51156 1 38 . 1 . 1 11 11 ILE CA C 13 59.37 0.3 . 1 . . . . . 11 ILE CA . 51156 1 39 . 1 . 1 11 11 ILE CB C 13 39.178 0.3 . 1 . . . . . 11 ILE CB . 51156 1 40 . 1 . 1 11 11 ILE N N 15 122.1419 0.3 . 1 . . . . . 11 ILE N . 51156 1 41 . 1 . 1 12 12 GLN H H 1 9.3118 0.020 . 1 . . . . . 12 GLN H . 51156 1 42 . 1 . 1 12 12 GLN C C 13 175.074 0.3 . 1 . . . . . 12 GLN C . 51156 1 43 . 1 . 1 12 12 GLN CA C 13 53.374 0.3 . 1 . . . . . 12 GLN CA . 51156 1 44 . 1 . 1 12 12 GLN CB C 13 30.496 0.3 . 1 . . . . . 12 GLN CB . 51156 1 45 . 1 . 1 12 12 GLN N N 15 125.9479 0.3 . 1 . . . . . 12 GLN N . 51156 1 46 . 1 . 1 13 13 LEU H H 1 9.3318 0.020 . 1 . . . . . 13 LEU H . 51156 1 47 . 1 . 1 13 13 LEU C C 13 174.791 0.3 . 1 . . . . . 13 LEU C . 51156 1 48 . 1 . 1 13 13 LEU CA C 13 54.88 0.3 . 1 . . . . . 13 LEU CA . 51156 1 49 . 1 . 1 13 13 LEU CB C 13 39.85 0.3 . 1 . . . . . 13 LEU CB . 51156 1 50 . 1 . 1 13 13 LEU N N 15 125.6529 0.3 . 1 . . . . . 13 LEU N . 51156 1 51 . 1 . 1 14 14 ASP H H 1 9.0108 0.020 . 1 . . . . . 14 ASP H . 51156 1 52 . 1 . 1 14 14 ASP C C 13 173.047 0.3 . 1 . . . . . 14 ASP C . 51156 1 53 . 1 . 1 14 14 ASP CA C 13 51.829 0.3 . 1 . . . . . 14 ASP CA . 51156 1 54 . 1 . 1 14 14 ASP CB C 13 40.204 0.3 . 1 . . . . . 14 ASP CB . 51156 1 55 . 1 . 1 14 14 ASP N N 15 126.2429 0.3 . 1 . . . . . 14 ASP N . 51156 1 56 . 1 . 1 15 15 ARG H H 1 8.2448 0.020 . 1 . . . . . 15 ARG H . 51156 1 57 . 1 . 1 15 15 ARG C C 13 174.609 0.3 . 1 . . . . . 15 ARG C . 51156 1 58 . 1 . 1 15 15 ARG CA C 13 56.375 0.3 . 1 . . . . . 15 ARG CA . 51156 1 59 . 1 . 1 15 15 ARG CB C 13 27.046 0.3 . 1 . . . . . 15 ARG CB . 51156 1 60 . 1 . 1 15 15 ARG N N 15 123.3679 0.3 . 1 . . . . . 15 ARG N . 51156 1 61 . 1 . 1 16 16 VAL H H 1 8.9018 0.020 . 1 . . . . . 16 VAL H . 51156 1 62 . 1 . 1 16 16 VAL C C 13 176.159 0.3 . 1 . . . . . 16 VAL C . 51156 1 63 . 1 . 1 16 16 VAL CA C 13 63.014 0.3 . 1 . . . . . 16 VAL CA . 51156 1 64 . 1 . 1 16 16 VAL CB C 13 31.515 0.3 . 1 . . . . . 16 VAL CB . 51156 1 65 . 1 . 1 16 16 VAL N N 15 120.0379 0.3 . 1 . . . . . 16 VAL N . 51156 1 66 . 1 . 1 17 17 SER H H 1 8.5268 0.020 . 1 . . . . . 17 SER H . 51156 1 67 . 1 . 1 17 17 SER C C 13 173.517 0.3 . 1 . . . . . 17 SER C . 51156 1 68 . 1 . 1 17 17 SER CA C 13 55.373 0.3 . 1 . . . . . 17 SER CA . 51156 1 69 . 1 . 1 17 17 SER CB C 13 65.181 0.3 . 1 . . . . . 17 SER CB . 51156 1 70 . 1 . 1 17 17 SER N N 15 121.2269 0.3 . 1 . . . . . 17 SER N . 51156 1 71 . 1 . 1 18 18 PHE H H 1 8.8498 0.020 . 1 . . . . . 18 PHE H . 51156 1 72 . 1 . 1 18 18 PHE C C 13 173.271 0.3 . 1 . . . . . 18 PHE C . 51156 1 73 . 1 . 1 18 18 PHE CA C 13 59.035 0.3 . 1 . . . . . 18 PHE CA . 51156 1 74 . 1 . 1 18 18 PHE CB C 13 43.071 0.3 . 1 . . . . . 18 PHE CB . 51156 1 75 . 1 . 1 18 18 PHE N N 15 120.7919 0.3 . 1 . . . . . 18 PHE N . 51156 1 76 . 1 . 1 19 19 GLY H H 1 6.0848 0.020 . 1 . . . . . 19 GLY H . 51156 1 77 . 1 . 1 19 19 GLY C C 13 169.275 0.3 . 1 . . . . . 19 GLY C . 51156 1 78 . 1 . 1 19 19 GLY CA C 13 44.188 0.3 . 1 . . . . . 19 GLY CA . 51156 1 79 . 1 . 1 19 19 GLY N N 15 115.1089 0.3 . 1 . . . . . 19 GLY N . 51156 1 80 . 1 . 1 20 20 TYR H H 1 8.1198 0.020 . 1 . . . . . 20 TYR H . 51156 1 81 . 1 . 1 20 20 TYR C C 13 176.44 0.3 . 1 . . . . . 20 TYR C . 51156 1 82 . 1 . 1 20 20 TYR CA C 13 60.057 0.3 . 1 . . . . . 20 TYR CA . 51156 1 83 . 1 . 1 20 20 TYR CB C 13 37.862 0.3 . 1 . . . . . 20 TYR CB . 51156 1 84 . 1 . 1 20 20 TYR N N 15 120.0559 0.3 . 1 . . . . . 20 TYR N . 51156 1 85 . 1 . 1 21 21 LYS H H 1 7.9648 0.020 . 1 . . . . . 21 LYS H . 51156 1 86 . 1 . 1 21 21 LYS C C 13 175.345 0.3 . 1 . . . . . 21 LYS C . 51156 1 87 . 1 . 1 21 21 LYS CA C 13 52.47 0.3 . 1 . . . . . 21 LYS CA . 51156 1 88 . 1 . 1 21 21 LYS CB C 13 32.74 0.3 . 1 . . . . . 21 LYS CB . 51156 1 89 . 1 . 1 21 21 LYS N N 15 117.8559 0.3 . 1 . . . . . 21 LYS N . 51156 1 90 . 1 . 1 23 23 ASP H H 1 8.3208 0.020 . 1 . . . . . 23 ASP H . 51156 1 91 . 1 . 1 23 23 ASP C C 13 175.188 0.3 . 1 . . . . . 23 ASP C . 51156 1 92 . 1 . 1 23 23 ASP CA C 13 53.566 0.3 . 1 . . . . . 23 ASP CA . 51156 1 93 . 1 . 1 23 23 ASP CB C 13 39.318 0.3 . 1 . . . . . 23 ASP CB . 51156 1 94 . 1 . 1 23 23 ASP N N 15 113.4069 0.3 . 1 . . . . . 23 ASP N . 51156 1 95 . 1 . 1 24 24 GLN H H 1 7.3978 0.020 . 1 . . . . . 24 GLN H . 51156 1 96 . 1 . 1 24 24 GLN C C 13 174.252 0.3 . 1 . . . . . 24 GLN C . 51156 1 97 . 1 . 1 24 24 GLN CA C 13 53.773 0.3 . 1 . . . . . 24 GLN CA . 51156 1 98 . 1 . 1 24 24 GLN CB C 13 29.197 0.3 . 1 . . . . . 24 GLN CB . 51156 1 99 . 1 . 1 24 24 GLN N N 15 120.6779 0.3 . 1 . . . . . 24 GLN N . 51156 1 100 . 1 . 1 25 25 LEU H H 1 8.5328 0.020 . 1 . . . . . 25 LEU H . 51156 1 101 . 1 . 1 25 25 LEU C C 13 177.07 0.3 . 1 . . . . . 25 LEU C . 51156 1 102 . 1 . 1 25 25 LEU CA C 13 55.373 0.3 . 1 . . . . . 25 LEU CA . 51156 1 103 . 1 . 1 25 25 LEU CB C 13 41.058 0.3 . 1 . . . . . 25 LEU CB . 51156 1 104 . 1 . 1 25 25 LEU N N 15 123.8509 0.3 . 1 . . . . . 25 LEU N . 51156 1 105 . 1 . 1 26 26 ILE H H 1 8.8948 0.020 . 1 . . . . . 26 ILE H . 51156 1 106 . 1 . 1 26 26 ILE C C 13 175.346 0.3 . 1 . . . . . 26 ILE C . 51156 1 107 . 1 . 1 26 26 ILE CA C 13 59.642 0.3 . 1 . . . . . 26 ILE CA . 51156 1 108 . 1 . 1 26 26 ILE CB C 13 37.439 0.3 . 1 . . . . . 26 ILE CB . 51156 1 109 . 1 . 1 26 26 ILE N N 15 121.6189 0.3 . 1 . . . . . 26 ILE N . 51156 1 110 . 1 . 1 27 27 LEU H H 1 7.7798 0.020 . 1 . . . . . 27 LEU H . 51156 1 111 . 1 . 1 27 27 LEU C C 13 176.436 0.3 . 1 . . . . . 27 LEU C . 51156 1 112 . 1 . 1 27 27 LEU CA C 13 53.199 0.3 . 1 . . . . . 27 LEU CA . 51156 1 113 . 1 . 1 27 27 LEU CB C 13 43.517 0.3 . 1 . . . . . 27 LEU CB . 51156 1 114 . 1 . 1 27 27 LEU N N 15 116.1909 0.3 . 1 . . . . . 27 LEU N . 51156 1 115 . 1 . 1 28 28 LYS H H 1 8.9218 0.020 . 1 . . . . . 28 LYS H . 51156 1 116 . 1 . 1 28 28 LYS C C 13 172.802 0.3 . 1 . . . . . 28 LYS C . 51156 1 117 . 1 . 1 28 28 LYS CA C 13 54.581 0.3 . 1 . . . . . 28 LYS CA . 51156 1 118 . 1 . 1 28 28 LYS CB C 13 32.974 0.3 . 1 . . . . . 28 LYS CB . 51156 1 119 . 1 . 1 28 28 LYS N N 15 123.8099 0.3 . 1 . . . . . 28 LYS N . 51156 1 120 . 1 . 1 29 29 GLU H H 1 8.5248 0.020 . 1 . . . . . 29 GLU H . 51156 1 121 . 1 . 1 29 29 GLU C C 13 174.799 0.3 . 1 . . . . . 29 GLU C . 51156 1 122 . 1 . 1 29 29 GLU CA C 13 56.267 0.3 . 1 . . . . . 29 GLU CA . 51156 1 123 . 1 . 1 29 29 GLU CB C 13 27.619 0.3 . 1 . . . . . 29 GLU CB . 51156 1 124 . 1 . 1 29 29 GLU N N 15 123.6369 0.3 . 1 . . . . . 29 GLU N . 51156 1 125 . 1 . 1 30 30 VAL H H 1 9.4968 0.020 . 1 . . . . . 30 VAL H . 51156 1 126 . 1 . 1 30 30 VAL C C 13 176.331 0.3 . 1 . . . . . 30 VAL C . 51156 1 127 . 1 . 1 30 30 VAL CA C 13 62.627 0.3 . 1 . . . . . 30 VAL CA . 51156 1 128 . 1 . 1 30 30 VAL CB C 13 31.371 0.3 . 1 . . . . . 30 VAL CB . 51156 1 129 . 1 . 1 30 30 VAL N N 15 120.5189 0.3 . 1 . . . . . 30 VAL N . 51156 1 130 . 1 . 1 31 31 SER H H 1 8.5728 0.020 . 1 . . . . . 31 SER H . 51156 1 131 . 1 . 1 31 31 SER C C 13 173.242 0.3 . 1 . . . . . 31 SER C . 51156 1 132 . 1 . 1 31 31 SER CA C 13 56.143 0.3 . 1 . . . . . 31 SER CA . 51156 1 133 . 1 . 1 31 31 SER CB C 13 65.045 0.3 . 1 . . . . . 31 SER CB . 51156 1 134 . 1 . 1 31 31 SER N N 15 121.2339 0.3 . 1 . . . . . 31 SER N . 51156 1 135 . 1 . 1 32 32 ALA H H 1 8.8748 0.020 . 1 . . . . . 32 ALA H . 51156 1 136 . 1 . 1 32 32 ALA C C 13 174.854 0.3 . 1 . . . . . 32 ALA C . 51156 1 137 . 1 . 1 32 32 ALA CA C 13 51.749 0.3 . 1 . . . . . 32 ALA CA . 51156 1 138 . 1 . 1 32 32 ALA CB C 13 21.54 0.3 . 1 . . . . . 32 ALA CB . 51156 1 139 . 1 . 1 32 32 ALA N N 15 123.1409 0.3 . 1 . . . . . 32 ALA N . 51156 1 140 . 1 . 1 33 33 VAL H H 1 8.7648 0.020 . 1 . . . . . 33 VAL H . 51156 1 141 . 1 . 1 33 33 VAL C C 13 174.635 0.3 . 1 . . . . . 33 VAL C . 51156 1 142 . 1 . 1 33 33 VAL CA C 13 62.026 0.3 . 1 . . . . . 33 VAL CA . 51156 1 143 . 1 . 1 33 33 VAL CB C 13 32.859 0.3 . 1 . . . . . 33 VAL CB . 51156 1 144 . 1 . 1 33 33 VAL N N 15 120.0559 0.3 . 1 . . . . . 33 VAL N . 51156 1 145 . 1 . 1 34 34 ILE H H 1 9.4558 0.020 . 1 . . . . . 34 ILE H . 51156 1 146 . 1 . 1 34 34 ILE C C 13 174.688 0.3 . 1 . . . . . 34 ILE C . 51156 1 147 . 1 . 1 34 34 ILE CA C 13 60.063 0.3 . 1 . . . . . 34 ILE CA . 51156 1 148 . 1 . 1 34 34 ILE CB C 13 37.452 0.3 . 1 . . . . . 34 ILE CB . 51156 1 149 . 1 . 1 34 34 ILE N N 15 131.3169 0.3 . 1 . . . . . 34 ILE N . 51156 1 150 . 1 . 1 35 35 GLU H H 1 8.4858 0.020 . 1 . . . . . 35 GLU H . 51156 1 151 . 1 . 1 35 35 GLU C C 13 176.658 0.3 . 1 . . . . . 35 GLU C . 51156 1 152 . 1 . 1 35 35 GLU CA C 13 56.949 0.3 . 1 . . . . . 35 GLU CA . 51156 1 153 . 1 . 1 35 35 GLU CB C 13 29.34 0.3 . 1 . . . . . 35 GLU CB . 51156 1 154 . 1 . 1 35 35 GLU N N 15 124.9869 0.3 . 1 . . . . . 35 GLU N . 51156 1 155 . 1 . 1 36 36 ALA H H 1 8.3408 0.020 . 1 . . . . . 36 ALA H . 51156 1 156 . 1 . 1 36 36 ALA C C 13 179.557 0.3 . 1 . . . . . 36 ALA C . 51156 1 157 . 1 . 1 36 36 ALA CA C 13 51.024 0.3 . 1 . . . . . 36 ALA CA . 51156 1 158 . 1 . 1 36 36 ALA CB C 13 16.915 0.3 . 1 . . . . . 36 ALA CB . 51156 1 159 . 1 . 1 36 36 ALA N N 15 123.4709 0.3 . 1 . . . . . 36 ALA N . 51156 1 160 . 1 . 1 37 37 GLY H H 1 8.9538 0.020 . 1 . . . . . 37 GLY H . 51156 1 161 . 1 . 1 37 37 GLY C C 13 172.501 0.3 . 1 . . . . . 37 GLY C . 51156 1 162 . 1 . 1 37 37 GLY CA C 13 45.52 0.3 . 1 . . . . . 37 GLY CA . 51156 1 163 . 1 . 1 37 37 GLY N N 15 108.7239 0.3 . 1 . . . . . 37 GLY N . 51156 1 164 . 1 . 1 38 38 LYS H H 1 6.8228 0.020 . 1 . . . . . 38 LYS H . 51156 1 165 . 1 . 1 38 38 LYS C C 13 176.054 0.3 . 1 . . . . . 38 LYS C . 51156 1 166 . 1 . 1 38 38 LYS CA C 13 53.041 0.3 . 1 . . . . . 38 LYS CA . 51156 1 167 . 1 . 1 38 38 LYS CB C 13 34.819 0.3 . 1 . . . . . 38 LYS CB . 51156 1 168 . 1 . 1 38 38 LYS N N 15 117.4809 0.3 . 1 . . . . . 38 LYS N . 51156 1 169 . 1 . 1 39 39 VAL H H 1 9.9888 0.020 . 1 . . . . . 39 VAL H . 51156 1 170 . 1 . 1 39 39 VAL C C 13 176.66 0.3 . 1 . . . . . 39 VAL C . 51156 1 171 . 1 . 1 39 39 VAL CA C 13 61.61 0.3 . 1 . . . . . 39 VAL CA . 51156 1 172 . 1 . 1 39 39 VAL CB C 13 32.529 0.3 . 1 . . . . . 39 VAL CB . 51156 1 173 . 1 . 1 39 39 VAL N N 15 124.0469 0.3 . 1 . . . . . 39 VAL N . 51156 1 174 . 1 . 1 40 40 THR H H 1 9.3668 0.020 . 1 . . . . . 40 THR H . 51156 1 175 . 1 . 1 40 40 THR C C 13 172.774 0.3 . 1 . . . . . 40 THR C . 51156 1 176 . 1 . 1 40 40 THR CA C 13 61.553 0.3 . 1 . . . . . 40 THR CA . 51156 1 177 . 1 . 1 40 40 THR CB C 13 69.522 0.3 . 1 . . . . . 40 THR CB . 51156 1 178 . 1 . 1 40 40 THR N N 15 126.1779 0.3 . 1 . . . . . 40 THR N . 51156 1 179 . 1 . 1 41 41 ALA H H 1 9.4008 0.020 . 1 . . . . . 41 ALA H . 51156 1 180 . 1 . 1 41 41 ALA C C 13 174.633 0.3 . 1 . . . . . 41 ALA C . 51156 1 181 . 1 . 1 41 41 ALA CA C 13 48.484 0.3 . 1 . . . . . 41 ALA CA . 51156 1 182 . 1 . 1 41 41 ALA CB C 13 20.086 0.3 . 1 . . . . . 41 ALA CB . 51156 1 183 . 1 . 1 41 41 ALA N N 15 128.4109 0.3 . 1 . . . . . 41 ALA N . 51156 1 184 . 1 . 1 42 42 ILE H H 1 9.5658 0.020 . 1 . . . . . 42 ILE H . 51156 1 185 . 1 . 1 42 42 ILE C C 13 175.015 0.3 . 1 . . . . . 42 ILE C . 51156 1 186 . 1 . 1 42 42 ILE CA C 13 59.678 0.3 . 1 . . . . . 42 ILE CA . 51156 1 187 . 1 . 1 42 42 ILE CB C 13 37.645 0.3 . 1 . . . . . 42 ILE CB . 51156 1 188 . 1 . 1 42 42 ILE N N 15 124.0469 0.3 . 1 . . . . . 42 ILE N . 51156 1 189 . 1 . 1 43 43 VAL H H 1 8.6008 0.020 . 1 . . . . . 43 VAL H . 51156 1 190 . 1 . 1 43 43 VAL C C 13 173.482 0.3 . 1 . . . . . 43 VAL C . 51156 1 191 . 1 . 1 43 43 VAL CA C 13 57.706 0.3 . 1 . . . . . 43 VAL CA . 51156 1 192 . 1 . 1 43 43 VAL CB C 13 35.923 0.3 . 1 . . . . . 43 VAL CB . 51156 1 193 . 1 . 1 43 43 VAL N N 15 119.0969 0.3 . 1 . . . . . 43 VAL N . 51156 1 194 . 1 . 1 44 44 GLY H H 1 8.0548 0.020 . 1 . . . . . 44 GLY H . 51156 1 195 . 1 . 1 44 44 GLY C C 13 171.903 0.3 . 1 . . . . . 44 GLY C . 51156 1 196 . 1 . 1 44 44 GLY CA C 13 44.121 0.3 . 1 . . . . . 44 GLY CA . 51156 1 197 . 1 . 1 44 44 GLY N N 15 106.9259 0.3 . 1 . . . . . 44 GLY N . 51156 1 198 . 1 . 1 46 46 SER H H 1 8.9158 0.020 . 1 . . . . . 46 SER H . 51156 1 199 . 1 . 1 46 46 SER C C 13 175.625 0.3 . 1 . . . . . 46 SER C . 51156 1 200 . 1 . 1 46 46 SER CA C 13 59.373 0.3 . 1 . . . . . 46 SER CA . 51156 1 201 . 1 . 1 46 46 SER CB C 13 62.486 0.3 . 1 . . . . . 46 SER CB . 51156 1 202 . 1 . 1 46 46 SER N N 15 117.9439 0.3 . 1 . . . . . 46 SER N . 51156 1 203 . 1 . 1 47 47 GLY H H 1 11.3838 0.020 . 1 . . . . . 47 GLY H . 51156 1 204 . 1 . 1 47 47 GLY C C 13 175.234 0.3 . 1 . . . . . 47 GLY C . 51156 1 205 . 1 . 1 47 47 GLY CA C 13 44.928 0.3 . 1 . . . . . 47 GLY CA . 51156 1 206 . 1 . 1 47 47 GLY N N 15 117.7119 0.3 . 1 . . . . . 47 GLY N . 51156 1 207 . 1 . 1 48 48 GLY H H 1 8.2828 0.020 . 1 . . . . . 48 GLY H . 51156 1 208 . 1 . 1 48 48 GLY C C 13 172.431 0.3 . 1 . . . . . 48 GLY C . 51156 1 209 . 1 . 1 48 48 GLY CA C 13 46.378 0.3 . 1 . . . . . 48 GLY CA . 51156 1 210 . 1 . 1 48 48 GLY N N 15 110.2199 0.3 . 1 . . . . . 48 GLY N . 51156 1 211 . 1 . 1 49 49 GLY H H 1 8.5738 0.020 . 1 . . . . . 49 GLY H . 51156 1 212 . 1 . 1 49 49 GLY C C 13 174.199 0.3 . 1 . . . . . 49 GLY C . 51156 1 213 . 1 . 1 49 49 GLY CA C 13 44.262 0.3 . 1 . . . . . 49 GLY CA . 51156 1 214 . 1 . 1 49 49 GLY N N 15 105.2909 0.3 . 1 . . . . . 49 GLY N . 51156 1 215 . 1 . 1 50 50 LYS H H 1 9.8118 0.020 . 1 . . . . . 50 LYS H . 51156 1 216 . 1 . 1 50 50 LYS C C 13 177.973 0.3 . 1 . . . . . 50 LYS C . 51156 1 217 . 1 . 1 50 50 LYS CA C 13 60.288 0.3 . 1 . . . . . 50 LYS CA . 51156 1 218 . 1 . 1 50 50 LYS CB C 13 27.75 0.3 . 1 . . . . . 50 LYS CB . 51156 1 219 . 1 . 1 50 50 LYS N N 15 124.4249 0.3 . 1 . . . . . 50 LYS N . 51156 1 220 . 1 . 1 51 51 THR H H 1 10.2818 0.020 . 1 . . . . . 51 THR H . 51156 1 221 . 1 . 1 51 51 THR C C 13 176.657 0.3 . 1 . . . . . 51 THR C . 51156 1 222 . 1 . 1 51 51 THR CA C 13 60.92 0.3 . 1 . . . . . 51 THR CA . 51156 1 223 . 1 . 1 51 51 THR CB C 13 66.89 0.3 . 1 . . . . . 51 THR CB . 51156 1 224 . 1 . 1 51 51 THR N N 15 119.5049 0.3 . 1 . . . . . 51 THR N . 51156 1 225 . 1 . 1 52 52 THR H H 1 8.6008 0.020 . 1 . . . . . 52 THR H . 51156 1 226 . 1 . 1 52 52 THR C C 13 175.781 0.3 . 1 . . . . . 52 THR C . 51156 1 227 . 1 . 1 52 52 THR CA C 13 60.593 0.3 . 1 . . . . . 52 THR CA . 51156 1 228 . 1 . 1 52 52 THR CB C 13 64.343 0.3 . 1 . . . . . 52 THR CB . 51156 1 229 . 1 . 1 52 52 THR N N 15 119.8579 0.3 . 1 . . . . . 52 THR N . 51156 1 230 . 1 . 1 53 53 LEU H H 1 8.3078 0.020 . 1 . . . . . 53 LEU H . 51156 1 231 . 1 . 1 53 53 LEU C C 13 178.935 0.3 . 1 . . . . . 53 LEU C . 51156 1 232 . 1 . 1 53 53 LEU CA C 13 58.108 0.3 . 1 . . . . . 53 LEU CA . 51156 1 233 . 1 . 1 53 53 LEU CB C 13 39.952 0.3 . 1 . . . . . 53 LEU CB . 51156 1 234 . 1 . 1 53 53 LEU N N 15 122.3729 0.3 . 1 . . . . . 53 LEU N . 51156 1 235 . 1 . 1 54 54 PHE H H 1 8.2048 0.020 . 1 . . . . . 54 PHE H . 51156 1 236 . 1 . 1 54 54 PHE C C 13 178.244 0.3 . 1 . . . . . 54 PHE C . 51156 1 237 . 1 . 1 54 54 PHE CA C 13 60.423 0.3 . 1 . . . . . 54 PHE CA . 51156 1 238 . 1 . 1 54 54 PHE CB C 13 37.147 0.3 . 1 . . . . . 54 PHE CB . 51156 1 239 . 1 . 1 54 54 PHE N N 15 121.1449 0.3 . 1 . . . . . 54 PHE N . 51156 1 240 . 1 . 1 55 55 LYS H H 1 8.2868 0.020 . 1 . . . . . 55 LYS H . 51156 1 241 . 1 . 1 55 55 LYS C C 13 180.164 0.3 . 1 . . . . . 55 LYS C . 51156 1 242 . 1 . 1 55 55 LYS CA C 13 58.249 0.3 . 1 . . . . . 55 LYS CA . 51156 1 243 . 1 . 1 55 55 LYS CB C 13 31.779 0.3 . 1 . . . . . 55 LYS CB . 51156 1 244 . 1 . 1 55 55 LYS N N 15 117.7969 0.3 . 1 . . . . . 55 LYS N . 51156 1 245 . 1 . 1 56 56 LEU H H 1 7.9028 0.020 . 1 . . . . . 56 LEU H . 51156 1 246 . 1 . 1 56 56 LEU C C 13 181.252 0.3 . 1 . . . . . 56 LEU C . 51156 1 247 . 1 . 1 56 56 LEU CA C 13 57.163 0.3 . 1 . . . . . 56 LEU CA . 51156 1 248 . 1 . 1 56 56 LEU CB C 13 40.177 0.3 . 1 . . . . . 56 LEU CB . 51156 1 249 . 1 . 1 56 56 LEU N N 15 119.9499 0.3 . 1 . . . . . 56 LEU N . 51156 1 250 . 1 . 1 57 57 LEU H H 1 8.3758 0.020 . 1 . . . . . 57 LEU H . 51156 1 251 . 1 . 1 57 57 LEU C C 13 177.832 0.3 . 1 . . . . . 57 LEU C . 51156 1 252 . 1 . 1 57 57 LEU CA C 13 57.827 0.3 . 1 . . . . . 57 LEU CA . 51156 1 253 . 1 . 1 57 57 LEU CB C 13 40.332 0.3 . 1 . . . . . 57 LEU CB . 51156 1 254 . 1 . 1 57 57 LEU N N 15 123.1079 0.3 . 1 . . . . . 57 LEU N . 51156 1 255 . 1 . 1 58 58 GLU H H 1 8.1298 0.020 . 1 . . . . . 58 GLU H . 51156 1 256 . 1 . 1 58 58 GLU C C 13 175.508 0.3 . 1 . . . . . 58 GLU C . 51156 1 257 . 1 . 1 58 58 GLU CA C 13 57.298 0.3 . 1 . . . . . 58 GLU CA . 51156 1 258 . 1 . 1 58 58 GLU CB C 13 30.337 0.3 . 1 . . . . . 58 GLU CB . 51156 1 259 . 1 . 1 58 58 GLU N N 15 114.2049 0.3 . 1 . . . . . 58 GLU N . 51156 1 260 . 1 . 1 59 59 ARG H H 1 7.8218 0.020 . 1 . . . . . 59 ARG H . 51156 1 261 . 1 . 1 59 59 ARG C C 13 175.51 0.3 . 1 . . . . . 59 ARG C . 51156 1 262 . 1 . 1 59 59 ARG CA C 13 57.47 0.3 . 1 . . . . . 59 ARG CA . 51156 1 263 . 1 . 1 59 59 ARG CB C 13 25.874 0.3 . 1 . . . . . 59 ARG CB . 51156 1 264 . 1 . 1 59 59 ARG N N 15 111.1389 0.3 . 1 . . . . . 59 ARG N . 51156 1 265 . 1 . 1 60 60 PHE H H 1 8.2558 0.020 . 1 . . . . . 60 PHE H . 51156 1 266 . 1 . 1 60 60 PHE C C 13 175.891 0.3 . 1 . . . . . 60 PHE C . 51156 1 267 . 1 . 1 60 60 PHE CA C 13 60.42 0.3 . 1 . . . . . 60 PHE CA . 51156 1 268 . 1 . 1 60 60 PHE CB C 13 39.031 0.3 . 1 . . . . . 60 PHE CB . 51156 1 269 . 1 . 1 60 60 PHE N N 15 118.6609 0.3 . 1 . . . . . 60 PHE N . 51156 1 270 . 1 . 1 61 61 TYR H H 1 6.7768 0.020 . 1 . . . . . 61 TYR H . 51156 1 271 . 1 . 1 61 61 TYR C C 13 174.91 0.3 . 1 . . . . . 61 TYR C . 51156 1 272 . 1 . 1 61 61 TYR CA C 13 53.339 0.3 . 1 . . . . . 61 TYR CA . 51156 1 273 . 1 . 1 61 61 TYR CB C 13 41.765 0.3 . 1 . . . . . 61 TYR CB . 51156 1 274 . 1 . 1 61 61 TYR N N 15 111.3819 0.3 . 1 . . . . . 61 TYR N . 51156 1 275 . 1 . 1 62 62 SER H H 1 8.7328 0.020 . 1 . . . . . 62 SER H . 51156 1 276 . 1 . 1 62 62 SER C C 13 171.516 0.3 . 1 . . . . . 62 SER C . 51156 1 277 . 1 . 1 62 62 SER CA C 13 55.832 0.3 . 1 . . . . . 62 SER CA . 51156 1 278 . 1 . 1 62 62 SER CB C 13 62.876 0.3 . 1 . . . . . 62 SER CB . 51156 1 279 . 1 . 1 62 62 SER N N 15 116.5359 0.3 . 1 . . . . . 62 SER N . 51156 1 280 . 1 . 1 64 64 THR H H 1 8.8818 0.020 . 1 . . . . . 64 THR H . 51156 1 281 . 1 . 1 64 64 THR C C 13 174.847 0.3 . 1 . . . . . 64 THR C . 51156 1 282 . 1 . 1 64 64 THR CA C 13 63.962 0.3 . 1 . . . . . 64 THR CA . 51156 1 283 . 1 . 1 64 64 THR CB C 13 67.939 0.3 . 1 . . . . . 64 THR CB . 51156 1 284 . 1 . 1 64 64 THR N N 15 118.4199 0.3 . 1 . . . . . 64 THR N . 51156 1 285 . 1 . 1 65 65 ALA H H 1 7.8358 0.020 . 1 . . . . . 65 ALA H . 51156 1 286 . 1 . 1 65 65 ALA C C 13 175.866 0.3 . 1 . . . . . 65 ALA C . 51156 1 287 . 1 . 1 65 65 ALA CA C 13 51.376 0.3 . 1 . . . . . 65 ALA CA . 51156 1 288 . 1 . 1 65 65 ALA CB C 13 21.397 0.3 . 1 . . . . . 65 ALA CB . 51156 1 289 . 1 . 1 65 65 ALA N N 15 121.4389 0.3 . 1 . . . . . 65 ALA N . 51156 1 290 . 1 . 1 66 66 GLY H H 1 8.2808 0.020 . 1 . . . . . 66 GLY H . 51156 1 291 . 1 . 1 66 66 GLY C C 13 174.088 0.3 . 1 . . . . . 66 GLY C . 51156 1 292 . 1 . 1 66 66 GLY CA C 13 44.361 0.3 . 1 . . . . . 66 GLY CA . 51156 1 293 . 1 . 1 66 66 GLY N N 15 106.2289 0.3 . 1 . . . . . 66 GLY N . 51156 1 294 . 1 . 1 67 67 THR H H 1 7.7268 0.020 . 1 . . . . . 67 THR H . 51156 1 295 . 1 . 1 67 67 THR C C 13 171.516 0.3 . 1 . . . . . 67 THR C . 51156 1 296 . 1 . 1 67 67 THR CA C 13 61.79 0.3 . 1 . . . . . 67 THR CA . 51156 1 297 . 1 . 1 67 67 THR CB C 13 72.274 0.3 . 1 . . . . . 67 THR CB . 51156 1 298 . 1 . 1 67 67 THR N N 15 110.4429 0.3 . 1 . . . . . 67 THR N . 51156 1 299 . 1 . 1 68 68 ILE H H 1 8.8268 0.020 . 1 . . . . . 68 ILE H . 51156 1 300 . 1 . 1 68 68 ILE C C 13 174.965 0.3 . 1 . . . . . 68 ILE C . 51156 1 301 . 1 . 1 68 68 ILE CA C 13 59.971 0.3 . 1 . . . . . 68 ILE CA . 51156 1 302 . 1 . 1 68 68 ILE CB C 13 37.171 0.3 . 1 . . . . . 68 ILE CB . 51156 1 303 . 1 . 1 68 68 ILE N N 15 126.1589 0.3 . 1 . . . . . 68 ILE N . 51156 1 304 . 1 . 1 69 69 ARG H H 1 9.3938 0.020 . 1 . . . . . 69 ARG H . 51156 1 305 . 1 . 1 69 69 ARG C C 13 174.582 0.3 . 1 . . . . . 69 ARG C . 51156 1 306 . 1 . 1 69 69 ARG CA C 13 54.391 0.3 . 1 . . . . . 69 ARG CA . 51156 1 307 . 1 . 1 69 69 ARG CB C 13 33.445 0.3 . 1 . . . . . 69 ARG CB . 51156 1 308 . 1 . 1 69 69 ARG N N 15 125.6479 0.3 . 1 . . . . . 69 ARG N . 51156 1 309 . 1 . 1 70 70 LEU H H 1 8.7578 0.020 . 1 . . . . . 70 LEU H . 51156 1 310 . 1 . 1 70 70 LEU C C 13 177.344 0.3 . 1 . . . . . 70 LEU C . 51156 1 311 . 1 . 1 70 70 LEU CA C 13 53.195 0.3 . 1 . . . . . 70 LEU CA . 51156 1 312 . 1 . 1 70 70 LEU CB C 13 42.645 0.3 . 1 . . . . . 70 LEU CB . 51156 1 313 . 1 . 1 70 70 LEU N N 15 122.4909 0.3 . 1 . . . . . 70 LEU N . 51156 1 314 . 1 . 1 71 71 GLY H H 1 9.5578 0.020 . 1 . . . . . 71 GLY H . 51156 1 315 . 1 . 1 71 71 GLY C C 13 173.881 0.3 . 1 . . . . . 71 GLY C . 51156 1 316 . 1 . 1 71 71 GLY CA C 13 47.024 0.3 . 1 . . . . . 71 GLY CA . 51156 1 317 . 1 . 1 71 71 GLY N N 15 118.8859 0.3 . 1 . . . . . 71 GLY N . 51156 1 318 . 1 . 1 72 72 ASP H H 1 8.9568 0.020 . 1 . . . . . 72 ASP H . 51156 1 319 . 1 . 1 72 72 ASP C C 13 176.266 0.3 . 1 . . . . . 72 ASP C . 51156 1 320 . 1 . 1 72 72 ASP CA C 13 54.241 0.3 . 1 . . . . . 72 ASP CA . 51156 1 321 . 1 . 1 72 72 ASP CB C 13 41.044 0.3 . 1 . . . . . 72 ASP CB . 51156 1 322 . 1 . 1 72 72 ASP N N 15 124.6569 0.3 . 1 . . . . . 72 ASP N . 51156 1 323 . 1 . 1 73 73 GLU H H 1 7.7198 0.020 . 1 . . . . . 73 GLU H . 51156 1 324 . 1 . 1 73 73 GLU C C 13 173.544 0.3 . 1 . . . . . 73 GLU C . 51156 1 325 . 1 . 1 73 73 GLU CA C 13 52.84 0.3 . 1 . . . . . 73 GLU CA . 51156 1 326 . 1 . 1 73 73 GLU CB C 13 31.357 0.3 . 1 . . . . . 73 GLU CB . 51156 1 327 . 1 . 1 73 73 GLU N N 15 121.0299 0.3 . 1 . . . . . 73 GLU N . 51156 1 328 . 1 . 1 75 75 VAL H H 1 8.9698 0.020 . 1 . . . . . 75 VAL H . 51156 1 329 . 1 . 1 75 75 VAL C C 13 176.717 0.3 . 1 . . . . . 75 VAL C . 51156 1 330 . 1 . 1 75 75 VAL CA C 13 64.851 0.3 . 1 . . . . . 75 VAL CA . 51156 1 331 . 1 . 1 75 75 VAL CB C 13 30.065 0.3 . 1 . . . . . 75 VAL CB . 51156 1 332 . 1 . 1 75 75 VAL N N 15 120.0889 0.3 . 1 . . . . . 75 VAL N . 51156 1 333 . 1 . 1 76 76 ASP H H 1 8.4888 0.020 . 1 . . . . . 76 ASP H . 51156 1 334 . 1 . 1 76 76 ASP C C 13 177.095 0.3 . 1 . . . . . 76 ASP C . 51156 1 335 . 1 . 1 76 76 ASP CA C 13 54.838 0.3 . 1 . . . . . 76 ASP CA . 51156 1 336 . 1 . 1 76 76 ASP CB C 13 39.17 0.3 . 1 . . . . . 76 ASP CB . 51156 1 337 . 1 . 1 76 76 ASP N N 15 116.7759 0.3 . 1 . . . . . 76 ASP N . 51156 1 338 . 1 . 1 77 77 THR H H 1 7.8428 0.020 . 1 . . . . . 77 THR H . 51156 1 339 . 1 . 1 77 77 THR C C 13 174.414 0.3 . 1 . . . . . 77 THR C . 51156 1 340 . 1 . 1 77 77 THR CA C 13 64.194 0.3 . 1 . . . . . 77 THR CA . 51156 1 341 . 1 . 1 77 77 THR CB C 13 68.948 0.3 . 1 . . . . . 77 THR CB . 51156 1 342 . 1 . 1 77 77 THR N N 15 114.6569 0.3 . 1 . . . . . 77 THR N . 51156 1 343 . 1 . 1 78 78 TYR H H 1 7.8008 0.020 . 1 . . . . . 78 TYR H . 51156 1 344 . 1 . 1 78 78 TYR C C 13 176.719 0.3 . 1 . . . . . 78 TYR C . 51156 1 345 . 1 . 1 78 78 TYR CA C 13 56.69 0.3 . 1 . . . . . 78 TYR CA . 51156 1 346 . 1 . 1 78 78 TYR CB C 13 38.594 0.3 . 1 . . . . . 78 TYR CB . 51156 1 347 . 1 . 1 78 78 TYR N N 15 120.3209 0.3 . 1 . . . . . 78 TYR N . 51156 1 348 . 1 . 1 79 79 SER H H 1 9.3448 0.020 . 1 . . . . . 79 SER H . 51156 1 349 . 1 . 1 79 79 SER C C 13 175.237 0.3 . 1 . . . . . 79 SER C . 51156 1 350 . 1 . 1 79 79 SER CA C 13 57.29 0.3 . 1 . . . . . 79 SER CA . 51156 1 351 . 1 . 1 79 79 SER CB C 13 63.13 0.3 . 1 . . . . . 79 SER CB . 51156 1 352 . 1 . 1 79 79 SER N N 15 120.2899 0.3 . 1 . . . . . 79 SER N . 51156 1 353 . 1 . 1 80 80 LEU H H 1 9.1198 0.020 . 1 . . . . . 80 LEU H . 51156 1 354 . 1 . 1 80 80 LEU C C 13 179.059 0.3 . 1 . . . . . 80 LEU C . 51156 1 355 . 1 . 1 80 80 LEU CA C 13 57.312 0.3 . 1 . . . . . 80 LEU CA . 51156 1 356 . 1 . 1 80 80 LEU CB C 13 40.461 0.3 . 1 . . . . . 80 LEU CB . 51156 1 357 . 1 . 1 80 80 LEU N N 15 126.3839 0.3 . 1 . . . . . 80 LEU N . 51156 1 358 . 1 . 1 81 81 GLU H H 1 9.0458 0.020 . 1 . . . . . 81 GLU H . 51156 1 359 . 1 . 1 81 81 GLU C C 13 179.058 0.3 . 1 . . . . . 81 GLU C . 51156 1 360 . 1 . 1 81 81 GLU CA C 13 60.071 0.3 . 1 . . . . . 81 GLU CA . 51156 1 361 . 1 . 1 81 81 GLU CB C 13 27.752 0.3 . 1 . . . . . 81 GLU CB . 51156 1 362 . 1 . 1 81 81 GLU N N 15 116.7609 0.3 . 1 . . . . . 81 GLU N . 51156 1 363 . 1 . 1 82 82 SER H H 1 7.8978 0.020 . 1 . . . . . 82 SER H . 51156 1 364 . 1 . 1 82 82 SER C C 13 177.387 0.3 . 1 . . . . . 82 SER C . 51156 1 365 . 1 . 1 82 82 SER CA C 13 60.358 0.3 . 1 . . . . . 82 SER CA . 51156 1 366 . 1 . 1 82 82 SER CB C 13 63.597 0.3 . 1 . . . . . 82 SER CB . 51156 1 367 . 1 . 1 82 82 SER N N 15 114.6689 0.3 . 1 . . . . . 82 SER N . 51156 1 368 . 1 . 1 83 83 TRP H H 1 8.4508 0.020 . 1 . . . . . 83 TRP H . 51156 1 369 . 1 . 1 83 83 TRP C C 13 177.249 0.3 . 1 . . . . . 83 TRP C . 51156 1 370 . 1 . 1 83 83 TRP CA C 13 60.127 0.3 . 1 . . . . . 83 TRP CA . 51156 1 371 . 1 . 1 83 83 TRP CB C 13 29.776 0.3 . 1 . . . . . 83 TRP CB . 51156 1 372 . 1 . 1 83 83 TRP N N 15 121.3949 0.3 . 1 . . . . . 83 TRP N . 51156 1 373 . 1 . 1 84 84 ARG H H 1 8.5238 0.020 . 1 . . . . . 84 ARG H . 51156 1 374 . 1 . 1 84 84 ARG C C 13 178.9 0.3 . 1 . . . . . 84 ARG C . 51156 1 375 . 1 . 1 84 84 ARG CA C 13 58.68 0.3 . 1 . . . . . 84 ARG CA . 51156 1 376 . 1 . 1 84 84 ARG CB C 13 28.938 0.3 . 1 . . . . . 84 ARG CB . 51156 1 377 . 1 . 1 84 84 ARG N N 15 113.7349 0.3 . 1 . . . . . 84 ARG N . 51156 1 378 . 1 . 1 85 85 GLU H H 1 7.6368 0.020 . 1 . . . . . 85 GLU H . 51156 1 379 . 1 . 1 85 85 GLU C C 13 177.531 0.3 . 1 . . . . . 85 GLU C . 51156 1 380 . 1 . 1 85 85 GLU CA C 13 58.018 0.3 . 1 . . . . . 85 GLU CA . 51156 1 381 . 1 . 1 85 85 GLU CB C 13 28.858 0.3 . 1 . . . . . 85 GLU CB . 51156 1 382 . 1 . 1 85 85 GLU N N 15 117.4469 0.3 . 1 . . . . . 85 GLU N . 51156 1 383 . 1 . 1 86 86 HIS H H 1 7.4258 0.020 . 1 . . . . . 86 HIS H . 51156 1 384 . 1 . 1 86 86 HIS C C 13 173.384 0.3 . 1 . . . . . 86 HIS C . 51156 1 385 . 1 . 1 86 86 HIS CA C 13 57.447 0.3 . 1 . . . . . 86 HIS CA . 51156 1 386 . 1 . 1 86 86 HIS CB C 13 30.309 0.3 . 1 . . . . . 86 HIS CB . 51156 1 387 . 1 . 1 86 86 HIS N N 15 114.2089 0.3 . 1 . . . . . 86 HIS N . 51156 1 388 . 1 . 1 87 87 ILE H H 1 7.3908 0.020 . 1 . . . . . 87 ILE H . 51156 1 389 . 1 . 1 87 87 ILE C C 13 175.998 0.3 . 1 . . . . . 87 ILE C . 51156 1 390 . 1 . 1 87 87 ILE CA C 13 59.187 0.3 . 1 . . . . . 87 ILE CA . 51156 1 391 . 1 . 1 87 87 ILE CB C 13 39.318 0.3 . 1 . . . . . 87 ILE CB . 51156 1 392 . 1 . 1 87 87 ILE N N 15 119.2689 0.3 . 1 . . . . . 87 ILE N . 51156 1 393 . 1 . 1 88 88 GLY H H 1 8.6008 0.020 . 1 . . . . . 88 GLY H . 51156 1 394 . 1 . 1 88 88 GLY C C 13 170.225 0.3 . 1 . . . . . 88 GLY C . 51156 1 395 . 1 . 1 88 88 GLY CA C 13 43.714 0.3 . 1 . . . . . 88 GLY CA . 51156 1 396 . 1 . 1 88 88 GLY N N 15 111.2459 0.3 . 1 . . . . . 88 GLY N . 51156 1 397 . 1 . 1 89 89 TYR H H 1 8.5728 0.020 . 1 . . . . . 89 TYR H . 51156 1 398 . 1 . 1 89 89 TYR C C 13 175.689 0.3 . 1 . . . . . 89 TYR C . 51156 1 399 . 1 . 1 89 89 TYR CA C 13 55.651 0.3 . 1 . . . . . 89 TYR CA . 51156 1 400 . 1 . 1 89 89 TYR CB C 13 40.452 0.3 . 1 . . . . . 89 TYR CB . 51156 1 401 . 1 . 1 89 89 TYR N N 15 123.4269 0.3 . 1 . . . . . 89 TYR N . 51156 1 402 . 1 . 1 90 90 VAL H H 1 8.3638 0.020 . 1 . . . . . 90 VAL H . 51156 1 403 . 1 . 1 90 90 VAL C C 13 173.378 0.3 . 1 . . . . . 90 VAL C . 51156 1 404 . 1 . 1 90 90 VAL CA C 13 61 0.3 . 1 . . . . . 90 VAL CA . 51156 1 405 . 1 . 1 90 90 VAL CB C 13 33.648 0.3 . 1 . . . . . 90 VAL CB . 51156 1 406 . 1 . 1 90 90 VAL N N 15 127.3229 0.3 . 1 . . . . . 90 VAL N . 51156 1 407 . 1 . 1 91 91 SER H H 1 8.4418 0.020 . 1 . . . . . 91 SER H . 51156 1 408 . 1 . 1 91 91 SER C C 13 174.798 0.3 . 1 . . . . . 91 SER C . 51156 1 409 . 1 . 1 91 91 SER CA C 13 55.364 0.3 . 1 . . . . . 91 SER CA . 51156 1 410 . 1 . 1 91 91 SER CB C 13 64.613 0.3 . 1 . . . . . 91 SER CB . 51156 1 411 . 1 . 1 91 91 SER N N 15 120.5229 0.3 . 1 . . . . . 91 SER N . 51156 1 412 . 1 . 1 92 92 GLN H H 1 8.6758 0.020 . 1 . . . . . 92 GLN H . 51156 1 413 . 1 . 1 92 92 GLN C C 13 176.554 0.3 . 1 . . . . . 92 GLN C . 51156 1 414 . 1 . 1 92 92 GLN CA C 13 57.391 0.3 . 1 . . . . . 92 GLN CA . 51156 1 415 . 1 . 1 92 92 GLN CB C 13 27.745 0.3 . 1 . . . . . 92 GLN CB . 51156 1 416 . 1 . 1 92 92 GLN N N 15 122.3819 0.3 . 1 . . . . . 92 GLN N . 51156 1 417 . 1 . 1 93 93 GLU H H 1 8.2938 0.020 . 1 . . . . . 93 GLU H . 51156 1 418 . 1 . 1 93 93 GLU C C 13 176.438 0.3 . 1 . . . . . 93 GLU C . 51156 1 419 . 1 . 1 93 93 GLU CA C 13 56.294 0.3 . 1 . . . . . 93 GLU CA . 51156 1 420 . 1 . 1 93 93 GLU CB C 13 29.121 0.3 . 1 . . . . . 93 GLU CB . 51156 1 421 . 1 . 1 93 93 GLU N N 15 117.9269 0.3 . 1 . . . . . 93 GLU N . 51156 1 422 . 1 . 1 94 94 SER H H 1 8.0328 0.020 . 1 . . . . . 94 SER H . 51156 1 423 . 1 . 1 94 94 SER C C 13 172.441 0.3 . 1 . . . . . 94 SER C . 51156 1 424 . 1 . 1 94 94 SER CA C 13 57.082 0.3 . 1 . . . . . 94 SER CA . 51156 1 425 . 1 . 1 94 94 SER CB C 13 63.025 0.3 . 1 . . . . . 94 SER CB . 51156 1 426 . 1 . 1 94 94 SER N N 15 115.6059 0.3 . 1 . . . . . 94 SER N . 51156 1 427 . 1 . 1 97 97 MET H H 1 8.7658 0.020 . 1 . . . . . 97 MET H . 51156 1 428 . 1 . 1 97 97 MET C C 13 176.281 0.3 . 1 . . . . . 97 MET C . 51156 1 429 . 1 . 1 97 97 MET CA C 13 53.775 0.3 . 1 . . . . . 97 MET CA . 51156 1 430 . 1 . 1 97 97 MET CB C 13 31.919 0.3 . 1 . . . . . 97 MET CB . 51156 1 431 . 1 . 1 97 97 MET N N 15 121.8489 0.3 . 1 . . . . . 97 MET N . 51156 1 432 . 1 . 1 98 98 SER H H 1 8.4088 0.020 . 1 . . . . . 98 SER H . 51156 1 433 . 1 . 1 98 98 SER C C 13 173.765 0.3 . 1 . . . . . 98 SER C . 51156 1 434 . 1 . 1 98 98 SER CA C 13 58.336 0.3 . 1 . . . . . 98 SER CA . 51156 1 435 . 1 . 1 98 98 SER CB C 13 62.523 0.3 . 1 . . . . . 98 SER CB . 51156 1 436 . 1 . 1 98 98 SER N N 15 116.5369 0.3 . 1 . . . . . 98 SER N . 51156 1 437 . 1 . 1 99 99 GLY H H 1 8.1368 0.020 . 1 . . . . . 99 GLY H . 51156 1 438 . 1 . 1 99 99 GLY C C 13 172.787 0.3 . 1 . . . . . 99 GLY C . 51156 1 439 . 1 . 1 99 99 GLY CA C 13 44.04 0.3 . 1 . . . . . 99 GLY CA . 51156 1 440 . 1 . 1 99 99 GLY N N 15 114.3479 0.3 . 1 . . . . . 99 GLY N . 51156 1 441 . 1 . 1 100 100 THR H H 1 9.0868 0.020 . 1 . . . . . 100 THR H . 51156 1 442 . 1 . 1 100 100 THR C C 13 178.661 0.3 . 1 . . . . . 100 THR C . 51156 1 443 . 1 . 1 100 100 THR CA C 13 60.598 0.3 . 1 . . . . . 100 THR CA . 51156 1 444 . 1 . 1 100 100 THR CB C 13 71.544 0.3 . 1 . . . . . 100 THR CB . 51156 1 445 . 1 . 1 100 100 THR N N 15 109.9759 0.3 . 1 . . . . . 100 THR N . 51156 1 446 . 1 . 1 101 101 ILE H H 1 8.0948 0.020 . 1 . . . . . 101 ILE H . 51156 1 447 . 1 . 1 101 101 ILE C C 13 177.873 0.3 . 1 . . . . . 101 ILE C . 51156 1 448 . 1 . 1 101 101 ILE CA C 13 65.045 0.3 . 1 . . . . . 101 ILE CA . 51156 1 449 . 1 . 1 101 101 ILE CB C 13 35.151 0.3 . 1 . . . . . 101 ILE CB . 51156 1 450 . 1 . 1 101 101 ILE N N 15 122.5289 0.3 . 1 . . . . . 101 ILE N . 51156 1 451 . 1 . 1 102 102 ARG H H 1 8.8748 0.020 . 1 . . . . . 102 ARG H . 51156 1 452 . 1 . 1 102 102 ARG C C 13 177.831 0.3 . 1 . . . . . 102 ARG C . 51156 1 453 . 1 . 1 102 102 ARG CA C 13 60.596 0.3 . 1 . . . . . 102 ARG CA . 51156 1 454 . 1 . 1 102 102 ARG CB C 13 29.937 0.3 . 1 . . . . . 102 ARG CB . 51156 1 455 . 1 . 1 102 102 ARG N N 15 120.0329 0.3 . 1 . . . . . 102 ARG N . 51156 1 456 . 1 . 1 103 103 GLU H H 1 8.0948 0.020 . 1 . . . . . 103 GLU H . 51156 1 457 . 1 . 1 103 103 GLU C C 13 179.501 0.3 . 1 . . . . . 103 GLU C . 51156 1 458 . 1 . 1 103 103 GLU CA C 13 58.644 0.3 . 1 . . . . . 103 GLU CA . 51156 1 459 . 1 . 1 103 103 GLU CB C 13 28.689 0.3 . 1 . . . . . 103 GLU CB . 51156 1 460 . 1 . 1 103 103 GLU N N 15 117.5119 0.3 . 1 . . . . . 103 GLU N . 51156 1 461 . 1 . 1 104 104 ASN H H 1 8.1018 0.020 . 1 . . . . . 104 ASN H . 51156 1 462 . 1 . 1 104 104 ASN C C 13 177.426 0.3 . 1 . . . . . 104 ASN C . 51156 1 463 . 1 . 1 104 104 ASN CA C 13 57.082 0.3 . 1 . . . . . 104 ASN CA . 51156 1 464 . 1 . 1 104 104 ASN CB C 13 40.164 0.3 . 1 . . . . . 104 ASN CB . 51156 1 465 . 1 . 1 104 104 ASN N N 15 116.1649 0.3 . 1 . . . . . 104 ASN N . 51156 1 466 . 1 . 1 105 105 ILE H H 1 8.3408 0.020 . 1 . . . . . 105 ILE H . 51156 1 467 . 1 . 1 105 105 ILE C C 13 174.582 0.3 . 1 . . . . . 105 ILE C . 51156 1 468 . 1 . 1 105 105 ILE CA C 13 65.19 0.3 . 1 . . . . . 105 ILE CA . 51156 1 469 . 1 . 1 105 105 ILE CB C 13 37.439 0.3 . 1 . . . . . 105 ILE CB . 51156 1 470 . 1 . 1 105 105 ILE N N 15 120.2029 0.3 . 1 . . . . . 105 ILE N . 51156 1 471 . 1 . 1 106 106 CYS H H 1 7.6158 0.020 . 1 . . . . . 106 CYS H . 51156 1 472 . 1 . 1 106 106 CYS C C 13 174.419 0.3 . 1 . . . . . 106 CYS C . 51156 1 473 . 1 . 1 106 106 CYS CA C 13 58.803 0.3 . 1 . . . . . 106 CYS CA . 51156 1 474 . 1 . 1 106 106 CYS CB C 13 27.319 0.3 . 1 . . . . . 106 CYS CB . 51156 1 475 . 1 . 1 106 106 CYS N N 15 110.9429 0.3 . 1 . . . . . 106 CYS N . 51156 1 476 . 1 . 1 107 107 TYR H H 1 7.2268 0.020 . 1 . . . . . 107 TYR H . 51156 1 477 . 1 . 1 107 107 TYR C C 13 176.877 0.3 . 1 . . . . . 107 TYR C . 51156 1 478 . 1 . 1 107 107 TYR CA C 13 59.989 0.3 . 1 . . . . . 107 TYR CA . 51156 1 479 . 1 . 1 107 107 TYR CB C 13 37.431 0.3 . 1 . . . . . 107 TYR CB . 51156 1 480 . 1 . 1 107 107 TYR N N 15 122.8679 0.3 . 1 . . . . . 107 TYR N . 51156 1 481 . 1 . 1 108 108 GLY H H 1 8.6688 0.020 . 1 . . . . . 108 GLY H . 51156 1 482 . 1 . 1 108 108 GLY C C 13 174.322 0.3 . 1 . . . . . 108 GLY C . 51156 1 483 . 1 . 1 108 108 GLY CA C 13 44.658 0.3 . 1 . . . . . 108 GLY CA . 51156 1 484 . 1 . 1 108 108 GLY N N 15 116.3099 0.3 . 1 . . . . . 108 GLY N . 51156 1 485 . 1 . 1 109 109 LEU H H 1 7.7738 0.020 . 1 . . . . . 109 LEU H . 51156 1 486 . 1 . 1 109 109 LEU C C 13 177.697 0.3 . 1 . . . . . 109 LEU C . 51156 1 487 . 1 . 1 109 109 LEU CA C 13 54.933 0.3 . 1 . . . . . 109 LEU CA . 51156 1 488 . 1 . 1 109 109 LEU CB C 13 41.191 0.3 . 1 . . . . . 109 LEU CB . 51156 1 489 . 1 . 1 109 109 LEU N N 15 122.0229 0.3 . 1 . . . . . 109 LEU N . 51156 1 490 . 1 . 1 111 111 ARG H H 1 7.1998 0.020 . 1 . . . . . 111 ARG H . 51156 1 491 . 1 . 1 111 111 ARG C C 13 174.192 0.3 . 1 . . . . . 111 ARG C . 51156 1 492 . 1 . 1 111 111 ARG CA C 13 53.845 0.3 . 1 . . . . . 111 ARG CA . 51156 1 493 . 1 . 1 111 111 ARG CB C 13 30.594 0.3 . 1 . . . . . 111 ARG CB . 51156 1 494 . 1 . 1 111 111 ARG N N 15 115.3539 0.3 . 1 . . . . . 111 ARG N . 51156 1 495 . 1 . 1 112 112 ASP H H 1 8.3888 0.020 . 1 . . . . . 112 ASP H . 51156 1 496 . 1 . 1 112 112 ASP C C 13 175.892 0.3 . 1 . . . . . 112 ASP C . 51156 1 497 . 1 . 1 112 112 ASP CA C 13 54.119 0.3 . 1 . . . . . 112 ASP CA . 51156 1 498 . 1 . 1 112 112 ASP CB C 13 40.329 0.3 . 1 . . . . . 112 ASP CB . 51156 1 499 . 1 . 1 112 112 ASP N N 15 120.4299 0.3 . 1 . . . . . 112 ASP N . 51156 1 500 . 1 . 1 113 113 VAL H H 1 8.2728 0.020 . 1 . . . . . 113 VAL H . 51156 1 501 . 1 . 1 113 113 VAL C C 13 175.89 0.3 . 1 . . . . . 113 VAL C . 51156 1 502 . 1 . 1 113 113 VAL CA C 13 59.552 0.3 . 1 . . . . . 113 VAL CA . 51156 1 503 . 1 . 1 113 113 VAL CB C 13 33.96 0.3 . 1 . . . . . 113 VAL CB . 51156 1 504 . 1 . 1 113 113 VAL N N 15 119.9179 0.3 . 1 . . . . . 113 VAL N . 51156 1 505 . 1 . 1 114 114 THR H H 1 8.6278 0.020 . 1 . . . . . 114 THR H . 51156 1 506 . 1 . 1 114 114 THR C C 13 175.565 0.3 . 1 . . . . . 114 THR C . 51156 1 507 . 1 . 1 114 114 THR CA C 13 59.973 0.3 . 1 . . . . . 114 THR CA . 51156 1 508 . 1 . 1 114 114 THR CB C 13 71.057 0.3 . 1 . . . . . 114 THR CB . 51156 1 509 . 1 . 1 114 114 THR N N 15 115.5989 0.3 . 1 . . . . . 114 THR N . 51156 1 510 . 1 . 1 115 115 ASP H H 1 8.7658 0.020 . 1 . . . . . 115 ASP H . 51156 1 511 . 1 . 1 115 115 ASP C C 13 178.353 0.3 . 1 . . . . . 115 ASP C . 51156 1 512 . 1 . 1 115 115 ASP CA C 13 57.078 0.3 . 1 . . . . . 115 ASP CA . 51156 1 513 . 1 . 1 115 115 ASP CB C 13 38.882 0.3 . 1 . . . . . 115 ASP CB . 51156 1 514 . 1 . 1 115 115 ASP N N 15 120.8499 0.3 . 1 . . . . . 115 ASP N . 51156 1 515 . 1 . 1 116 116 ALA H H 1 8.1978 0.020 . 1 . . . . . 116 ALA H . 51156 1 516 . 1 . 1 116 116 ALA C C 13 180.923 0.3 . 1 . . . . . 116 ALA C . 51156 1 517 . 1 . 1 116 116 ALA CA C 13 54.504 0.3 . 1 . . . . . 116 ALA CA . 51156 1 518 . 1 . 1 116 116 ALA CB C 13 17.195 0.3 . 1 . . . . . 116 ALA CB . 51156 1 519 . 1 . 1 116 116 ALA N N 15 120.6189 0.3 . 1 . . . . . 116 ALA N . 51156 1 520 . 1 . 1 117 117 GLU H H 1 7.6428 0.020 . 1 . . . . . 117 GLU H . 51156 1 521 . 1 . 1 117 117 GLU C C 13 179.555 0.3 . 1 . . . . . 117 GLU C . 51156 1 522 . 1 . 1 117 117 GLU CA C 13 58.829 0.3 . 1 . . . . . 117 GLU CA . 51156 1 523 . 1 . 1 117 117 GLU CB C 13 29.475 0.3 . 1 . . . . . 117 GLU CB . 51156 1 524 . 1 . 1 117 117 GLU N N 15 118.8029 0.3 . 1 . . . . . 117 GLU N . 51156 1 525 . 1 . 1 118 118 ILE H H 1 7.7328 0.020 . 1 . . . . . 118 ILE H . 51156 1 526 . 1 . 1 118 118 ILE C C 13 177.102 0.3 . 1 . . . . . 118 ILE C . 51156 1 527 . 1 . 1 118 118 ILE CA C 13 64.98 0.3 . 1 . . . . . 118 ILE CA . 51156 1 528 . 1 . 1 118 118 ILE CB C 13 36.698 0.3 . 1 . . . . . 118 ILE CB . 51156 1 529 . 1 . 1 118 118 ILE N N 15 121.5509 0.3 . 1 . . . . . 118 ILE N . 51156 1 530 . 1 . 1 119 119 GLU H H 1 8.2178 0.020 . 1 . . . . . 119 GLU H . 51156 1 531 . 1 . 1 119 119 GLU C C 13 178.355 0.3 . 1 . . . . . 119 GLU C . 51156 1 532 . 1 . 1 119 119 GLU CA C 13 60.045 0.3 . 1 . . . . . 119 GLU CA . 51156 1 533 . 1 . 1 119 119 GLU CB C 13 28.193 0.3 . 1 . . . . . 119 GLU CB . 51156 1 534 . 1 . 1 119 119 GLU N N 15 119.2689 0.3 . 1 . . . . . 119 GLU N . 51156 1 535 . 1 . 1 120 120 LYS H H 1 7.7808 0.020 . 1 . . . . . 120 LYS H . 51156 1 536 . 1 . 1 120 120 LYS C C 13 178.356 0.3 . 1 . . . . . 120 LYS C . 51156 1 537 . 1 . 1 120 120 LYS CA C 13 57.829 0.3 . 1 . . . . . 120 LYS CA . 51156 1 538 . 1 . 1 120 120 LYS CB C 13 30.497 0.3 . 1 . . . . . 120 LYS CB . 51156 1 539 . 1 . 1 120 120 LYS N N 15 118.7379 0.3 . 1 . . . . . 120 LYS N . 51156 1 540 . 1 . 1 121 121 ALA H H 1 7.7878 0.020 . 1 . . . . . 121 ALA H . 51156 1 541 . 1 . 1 121 121 ALA C C 13 179.237 0.3 . 1 . . . . . 121 ALA C . 51156 1 542 . 1 . 1 121 121 ALA CA C 13 54.753 0.3 . 1 . . . . . 121 ALA CA . 51156 1 543 . 1 . 1 121 121 ALA CB C 13 16.87 0.3 . 1 . . . . . 121 ALA CB . 51156 1 544 . 1 . 1 121 121 ALA N N 15 121.6949 0.3 . 1 . . . . . 121 ALA N . 51156 1 545 . 1 . 1 122 122 ALA H H 1 8.3478 0.020 . 1 . . . . . 122 ALA H . 51156 1 546 . 1 . 1 122 122 ALA C C 13 179.261 0.3 . 1 . . . . . 122 ALA C . 51156 1 547 . 1 . 1 122 122 ALA CA C 13 54.591 0.3 . 1 . . . . . 122 ALA CA . 51156 1 548 . 1 . 1 122 122 ALA CB C 13 16.507 0.3 . 1 . . . . . 122 ALA CB . 51156 1 549 . 1 . 1 122 122 ALA N N 15 116.1089 0.3 . 1 . . . . . 122 ALA N . 51156 1 550 . 1 . 1 123 123 GLU H H 1 8.9358 0.020 . 1 . . . . . 123 GLU H . 51156 1 551 . 1 . 1 123 123 GLU C C 13 180.488 0.3 . 1 . . . . . 123 GLU C . 51156 1 552 . 1 . 1 123 123 GLU CA C 13 58.987 0.3 . 1 . . . . . 123 GLU CA . 51156 1 553 . 1 . 1 123 123 GLU CB C 13 28.913 0.3 . 1 . . . . . 123 GLU CB . 51156 1 554 . 1 . 1 123 123 GLU N N 15 122.0349 0.3 . 1 . . . . . 123 GLU N . 51156 1 555 . 1 . 1 124 124 MET H H 1 8.5358 0.020 . 1 . . . . . 124 MET H . 51156 1 556 . 1 . 1 124 124 MET C C 13 175.291 0.3 . 1 . . . . . 124 MET C . 51156 1 557 . 1 . 1 124 124 MET CA C 13 58.1 0.3 . 1 . . . . . 124 MET CA . 51156 1 558 . 1 . 1 124 124 MET CB C 13 32.953 0.3 . 1 . . . . . 124 MET CB . 51156 1 559 . 1 . 1 124 124 MET N N 15 121.0899 0.3 . 1 . . . . . 124 MET N . 51156 1 560 . 1 . 1 125 125 ALA H H 1 7.2878 0.020 . 1 . . . . . 125 ALA H . 51156 1 561 . 1 . 1 125 125 ALA C C 13 174.663 0.3 . 1 . . . . . 125 ALA C . 51156 1 562 . 1 . 1 125 125 ALA CA C 13 50.566 0.3 . 1 . . . . . 125 ALA CA . 51156 1 563 . 1 . 1 125 125 ALA CB C 13 18.65 0.3 . 1 . . . . . 125 ALA CB . 51156 1 564 . 1 . 1 125 125 ALA N N 15 115.6129 0.3 . 1 . . . . . 125 ALA N . 51156 1 565 . 1 . 1 126 126 TYR H H 1 7.6298 0.020 . 1 . . . . . 126 TYR H . 51156 1 566 . 1 . 1 126 126 TYR C C 13 176.606 0.3 . 1 . . . . . 126 TYR C . 51156 1 567 . 1 . 1 126 126 TYR CA C 13 59.411 0.3 . 1 . . . . . 126 TYR CA . 51156 1 568 . 1 . 1 126 126 TYR CB C 13 33.099 0.3 . 1 . . . . . 126 TYR CB . 51156 1 569 . 1 . 1 126 126 TYR N N 15 109.4999 0.3 . 1 . . . . . 126 TYR N . 51156 1 570 . 1 . 1 127 127 ALA H H 1 8.8138 0.020 . 1 . . . . . 127 ALA H . 51156 1 571 . 1 . 1 127 127 ALA C C 13 175.729 0.3 . 1 . . . . . 127 ALA C . 51156 1 572 . 1 . 1 127 127 ALA CA C 13 50.055 0.3 . 1 . . . . . 127 ALA CA . 51156 1 573 . 1 . 1 127 127 ALA CB C 13 19.885 0.3 . 1 . . . . . 127 ALA CB . 51156 1 574 . 1 . 1 127 127 ALA N N 15 117.7089 0.3 . 1 . . . . . 127 ALA N . 51156 1 575 . 1 . 1 128 128 LEU H H 1 6.8508 0.020 . 1 . . . . . 128 LEU H . 51156 1 576 . 1 . 1 128 128 LEU C C 13 176.853 0.3 . 1 . . . . . 128 LEU C . 51156 1 577 . 1 . 1 128 128 LEU CA C 13 57.139 0.3 . 1 . . . . . 128 LEU CA . 51156 1 578 . 1 . 1 128 128 LEU CB C 13 40.585 0.3 . 1 . . . . . 128 LEU CB . 51156 1 579 . 1 . 1 128 128 LEU N N 15 118.8889 0.3 . 1 . . . . . 128 LEU N . 51156 1 580 . 1 . 1 129 129 ASN H H 1 8.3888 0.020 . 1 . . . . . 129 ASN H . 51156 1 581 . 1 . 1 129 129 ASN C C 13 177.919 0.3 . 1 . . . . . 129 ASN C . 51156 1 582 . 1 . 1 129 129 ASN CA C 13 56.387 0.3 . 1 . . . . . 129 ASN CA . 51156 1 583 . 1 . 1 129 129 ASN CB C 13 36.303 0.3 . 1 . . . . . 129 ASN CB . 51156 1 584 . 1 . 1 129 129 ASN N N 15 114.4029 0.3 . 1 . . . . . 129 ASN N . 51156 1 585 . 1 . 1 130 130 PHE H H 1 8.0538 0.020 . 1 . . . . . 130 PHE H . 51156 1 586 . 1 . 1 130 130 PHE C C 13 178.356 0.3 . 1 . . . . . 130 PHE C . 51156 1 587 . 1 . 1 130 130 PHE CA C 13 58.688 0.3 . 1 . . . . . 130 PHE CA . 51156 1 588 . 1 . 1 130 130 PHE CB C 13 35.897 0.3 . 1 . . . . . 130 PHE CB . 51156 1 589 . 1 . 1 130 130 PHE N N 15 116.6819 0.3 . 1 . . . . . 130 PHE N . 51156 1 590 . 1 . 1 131 131 ILE H H 1 7.0728 0.020 . 1 . . . . . 131 ILE H . 51156 1 591 . 1 . 1 131 131 ILE C C 13 178.153 0.3 . 1 . . . . . 131 ILE C . 51156 1 592 . 1 . 1 131 131 ILE CA C 13 64.815 0.3 . 1 . . . . . 131 ILE CA . 51156 1 593 . 1 . 1 131 131 ILE CB C 13 36.553 0.3 . 1 . . . . . 131 ILE CB . 51156 1 594 . 1 . 1 131 131 ILE N N 15 125.3669 0.3 . 1 . . . . . 131 ILE N . 51156 1 595 . 1 . 1 132 132 LYS H H 1 8.1218 0.020 . 1 . . . . . 132 LYS H . 51156 1 596 . 1 . 1 132 132 LYS C C 13 177.368 0.3 . 1 . . . . . 132 LYS C . 51156 1 597 . 1 . 1 132 132 LYS CA C 13 58.396 0.3 . 1 . . . . . 132 LYS CA . 51156 1 598 . 1 . 1 132 132 LYS CB C 13 30.789 0.3 . 1 . . . . . 132 LYS CB . 51156 1 599 . 1 . 1 132 132 LYS N N 15 116.6879 0.3 . 1 . . . . . 132 LYS N . 51156 1 600 . 1 . 1 133 133 GLU H H 1 6.9458 0.020 . 1 . . . . . 133 GLU H . 51156 1 601 . 1 . 1 133 133 GLU C C 13 177.425 0.3 . 1 . . . . . 133 GLU C . 51156 1 602 . 1 . 1 133 133 GLU CA C 13 55.801 0.3 . 1 . . . . . 133 GLU CA . 51156 1 603 . 1 . 1 133 133 GLU CB C 13 29.657 0.3 . 1 . . . . . 133 GLU CB . 51156 1 604 . 1 . 1 133 133 GLU N N 15 114.6739 0.3 . 1 . . . . . 133 GLU N . 51156 1 605 . 1 . 1 134 134 LEU H H 1 7.5068 0.020 . 1 . . . . . 134 LEU H . 51156 1 606 . 1 . 1 134 134 LEU C C 13 177.866 0.3 . 1 . . . . . 134 LEU C . 51156 1 607 . 1 . 1 134 134 LEU CA C 13 53.056 0.3 . 1 . . . . . 134 LEU CA . 51156 1 608 . 1 . 1 134 134 LEU CB C 13 39.89 0.3 . 1 . . . . . 134 LEU CB . 51156 1 609 . 1 . 1 134 134 LEU N N 15 122.3159 0.3 . 1 . . . . . 134 LEU N . 51156 1 610 . 1 . 1 136 136 ASN H H 1 7.7068 0.020 . 1 . . . . . 136 ASN H . 51156 1 611 . 1 . 1 136 136 ASN C C 13 174.855 0.3 . 1 . . . . . 136 ASN C . 51156 1 612 . 1 . 1 136 136 ASN CA C 13 51.225 0.3 . 1 . . . . . 136 ASN CA . 51156 1 613 . 1 . 1 136 136 ASN CB C 13 39.023 0.3 . 1 . . . . . 136 ASN CB . 51156 1 614 . 1 . 1 136 136 ASN N N 15 110.6579 0.3 . 1 . . . . . 136 ASN N . 51156 1 615 . 1 . 1 137 137 GLN H H 1 7.7028 0.020 . 1 . . . . . 137 GLN H . 51156 1 616 . 1 . 1 137 137 GLN C C 13 178.791 0.3 . 1 . . . . . 137 GLN C . 51156 1 617 . 1 . 1 137 137 GLN CA C 13 57.167 0.3 . 1 . . . . . 137 GLN CA . 51156 1 618 . 1 . 1 137 137 GLN CB C 13 25.3 0.3 . 1 . . . . . 137 GLN CB . 51156 1 619 . 1 . 1 137 137 GLN N N 15 114.4259 0.3 . 1 . . . . . 137 GLN N . 51156 1 620 . 1 . 1 138 138 PHE H H 1 8.5468 0.020 . 1 . . . . . 138 PHE H . 51156 1 621 . 1 . 1 138 138 PHE C C 13 174.896 0.3 . 1 . . . . . 138 PHE C . 51156 1 622 . 1 . 1 138 138 PHE CA C 13 62.145 0.3 . 1 . . . . . 138 PHE CA . 51156 1 623 . 1 . 1 138 138 PHE CB C 13 37.946 0.3 . 1 . . . . . 138 PHE CB . 51156 1 624 . 1 . 1 138 138 PHE N N 15 121.2159 0.3 . 1 . . . . . 138 PHE N . 51156 1 625 . 1 . 1 139 139 ASP H H 1 8.2898 0.020 . 1 . . . . . 139 ASP H . 51156 1 626 . 1 . 1 139 139 ASP C C 13 174.376 0.3 . 1 . . . . . 139 ASP C . 51156 1 627 . 1 . 1 139 139 ASP CA C 13 54.288 0.3 . 1 . . . . . 139 ASP CA . 51156 1 628 . 1 . 1 139 139 ASP CB C 13 40.457 0.3 . 1 . . . . . 139 ASP CB . 51156 1 629 . 1 . 1 139 139 ASP N N 15 117.2079 0.3 . 1 . . . . . 139 ASP N . 51156 1 630 . 1 . 1 140 140 THR H H 1 7.1858 0.020 . 1 . . . . . 140 THR H . 51156 1 631 . 1 . 1 140 140 THR C C 13 173.649 0.3 . 1 . . . . . 140 THR C . 51156 1 632 . 1 . 1 140 140 THR CA C 13 64.076 0.3 . 1 . . . . . 140 THR CA . 51156 1 633 . 1 . 1 140 140 THR CB C 13 69.121 0.3 . 1 . . . . . 140 THR CB . 51156 1 634 . 1 . 1 140 140 THR N N 15 117.2429 0.3 . 1 . . . . . 140 THR N . 51156 1 635 . 1 . 1 141 141 GLU H H 1 8.7788 0.020 . 1 . . . . . 141 GLU H . 51156 1 636 . 1 . 1 141 141 GLU C C 13 175.894 0.3 . 1 . . . . . 141 GLU C . 51156 1 637 . 1 . 1 141 141 GLU CA C 13 56.221 0.3 . 1 . . . . . 141 GLU CA . 51156 1 638 . 1 . 1 141 141 GLU CB C 13 28.768 0.3 . 1 . . . . . 141 GLU CB . 51156 1 639 . 1 . 1 141 141 GLU N N 15 128.2109 0.3 . 1 . . . . . 141 GLU N . 51156 1 640 . 1 . 1 142 142 VAL H H 1 8.9028 0.020 . 1 . . . . . 142 VAL H . 51156 1 641 . 1 . 1 142 142 VAL C C 13 176.057 0.3 . 1 . . . . . 142 VAL C . 51156 1 642 . 1 . 1 142 142 VAL CA C 13 59.51 0.3 . 1 . . . . . 142 VAL CA . 51156 1 643 . 1 . 1 142 142 VAL CB C 13 33.535 0.3 . 1 . . . . . 142 VAL CB . 51156 1 644 . 1 . 1 142 142 VAL N N 15 120.4989 0.3 . 1 . . . . . 142 VAL N . 51156 1 645 . 1 . 1 143 143 GLY H H 1 8.2578 0.020 . 1 . . . . . 143 GLY H . 51156 1 646 . 1 . 1 143 143 GLY C C 13 175.305 0.3 . 1 . . . . . 143 GLY C . 51156 1 647 . 1 . 1 143 143 GLY CA C 13 43.816 0.3 . 1 . . . . . 143 GLY CA . 51156 1 648 . 1 . 1 143 143 GLY N N 15 108.1169 0.3 . 1 . . . . . 143 GLY N . 51156 1 649 . 1 . 1 144 144 GLU H H 1 8.5318 0.020 . 1 . . . . . 144 GLU H . 51156 1 650 . 1 . 1 144 144 GLU C C 13 177.806 0.3 . 1 . . . . . 144 GLU C . 51156 1 651 . 1 . 1 144 144 GLU CA C 13 58.459 0.3 . 1 . . . . . 144 GLU CA . 51156 1 652 . 1 . 1 144 144 GLU CB C 13 28.755 0.3 . 1 . . . . . 144 GLU CB . 51156 1 653 . 1 . 1 144 144 GLU N N 15 121.0349 0.3 . 1 . . . . . 144 GLU N . 51156 1 654 . 1 . 1 145 145 ARG H H 1 8.5328 0.020 . 1 . . . . . 145 ARG H . 51156 1 655 . 1 . 1 145 145 ARG C C 13 175.966 0.3 . 1 . . . . . 145 ARG C . 51156 1 656 . 1 . 1 145 145 ARG CA C 13 55.357 0.3 . 1 . . . . . 145 ARG CA . 51156 1 657 . 1 . 1 145 145 ARG CB C 13 28.704 0.3 . 1 . . . . . 145 ARG CB . 51156 1 658 . 1 . 1 145 145 ARG N N 15 116.7779 0.3 . 1 . . . . . 145 ARG N . 51156 1 659 . 1 . 1 146 146 GLY H H 1 7.6848 0.020 . 1 . . . . . 146 GLY H . 51156 1 660 . 1 . 1 146 146 GLY C C 13 173.32 0.3 . 1 . . . . . 146 GLY C . 51156 1 661 . 1 . 1 146 146 GLY CA C 13 44.223 0.3 . 1 . . . . . 146 GLY CA . 51156 1 662 . 1 . 1 146 146 GLY N N 15 108.7209 0.3 . 1 . . . . . 146 GLY N . 51156 1 663 . 1 . 1 147 147 ILE H H 1 8.0878 0.020 . 1 . . . . . 147 ILE H . 51156 1 664 . 1 . 1 147 147 ILE C C 13 175.457 0.3 . 1 . . . . . 147 ILE C . 51156 1 665 . 1 . 1 147 147 ILE CA C 13 59.977 0.3 . 1 . . . . . 147 ILE CA . 51156 1 666 . 1 . 1 147 147 ILE CB C 13 38.456 0.3 . 1 . . . . . 147 ILE CB . 51156 1 667 . 1 . 1 147 147 ILE N N 15 121.9199 0.3 . 1 . . . . . 147 ILE N . 51156 1 668 . 1 . 1 148 148 MET H H 1 8.4498 0.020 . 1 . . . . . 148 MET H . 51156 1 669 . 1 . 1 148 148 MET C C 13 175.781 0.3 . 1 . . . . . 148 MET C . 51156 1 670 . 1 . 1 148 148 MET CA C 13 53.628 0.3 . 1 . . . . . 148 MET CA . 51156 1 671 . 1 . 1 148 148 MET CB C 13 31.09 0.3 . 1 . . . . . 148 MET CB . 51156 1 672 . 1 . 1 148 148 MET N N 15 123.3719 0.3 . 1 . . . . . 148 MET N . 51156 1 673 . 1 . 1 149 149 LEU H H 1 7.8498 0.020 . 1 . . . . . 149 LEU H . 51156 1 674 . 1 . 1 149 149 LEU C C 13 176.935 0.3 . 1 . . . . . 149 LEU C . 51156 1 675 . 1 . 1 149 149 LEU CA C 13 52.958 0.3 . 1 . . . . . 149 LEU CA . 51156 1 676 . 1 . 1 149 149 LEU CB C 13 42.204 0.3 . 1 . . . . . 149 LEU CB . 51156 1 677 . 1 . 1 149 149 LEU N N 15 122.8139 0.3 . 1 . . . . . 149 LEU N . 51156 1 678 . 1 . 1 150 150 SER H H 1 8.5648 0.020 . 1 . . . . . 150 SER H . 51156 1 679 . 1 . 1 150 150 SER C C 13 175.763 0.3 . 1 . . . . . 150 SER C . 51156 1 680 . 1 . 1 150 150 SER CA C 13 57.183 0.3 . 1 . . . . . 150 SER CA . 51156 1 681 . 1 . 1 150 150 SER CB C 13 63.998 0.3 . 1 . . . . . 150 SER CB . 51156 1 682 . 1 . 1 150 150 SER N N 15 117.5169 0.3 . 1 . . . . . 150 SER N . 51156 1 683 . 1 . 1 151 151 GLY H H 1 7.6138 0.020 . 1 . . . . . 151 GLY H . 51156 1 684 . 1 . 1 151 151 GLY C C 13 178.205 0.3 . 1 . . . . . 151 GLY C . 51156 1 685 . 1 . 1 151 151 GLY CA C 13 47.07 0.3 . 1 . . . . . 151 GLY CA . 51156 1 686 . 1 . 1 151 151 GLY N N 15 110.7339 0.3 . 1 . . . . . 151 GLY N . 51156 1 687 . 1 . 1 152 152 GLY H H 1 9.2228 0.020 . 1 . . . . . 152 GLY H . 51156 1 688 . 1 . 1 152 152 GLY C C 13 178.579 0.3 . 1 . . . . . 152 GLY C . 51156 1 689 . 1 . 1 152 152 GLY CA C 13 46.797 0.3 . 1 . . . . . 152 GLY CA . 51156 1 690 . 1 . 1 152 152 GLY N N 15 109.7679 0.3 . 1 . . . . . 152 GLY N . 51156 1 691 . 1 . 1 153 153 GLN H H 1 7.5208 0.020 . 1 . . . . . 153 GLN H . 51156 1 692 . 1 . 1 153 153 GLN C C 13 178.24 0.3 . 1 . . . . . 153 GLN C . 51156 1 693 . 1 . 1 153 153 GLN CA C 13 58.539 0.3 . 1 . . . . . 153 GLN CA . 51156 1 694 . 1 . 1 153 153 GLN CB C 13 28.048 0.3 . 1 . . . . . 153 GLN CB . 51156 1 695 . 1 . 1 153 153 GLN N N 15 123.4979 0.3 . 1 . . . . . 153 GLN N . 51156 1 696 . 1 . 1 154 154 ARG H H 1 8.6958 0.020 . 1 . . . . . 154 ARG H . 51156 1 697 . 1 . 1 154 154 ARG C C 13 179.777 0.3 . 1 . . . . . 154 ARG C . 51156 1 698 . 1 . 1 154 154 ARG CA C 13 60.52 0.3 . 1 . . . . . 154 ARG CA . 51156 1 699 . 1 . 1 154 154 ARG CB C 13 29.051 0.3 . 1 . . . . . 154 ARG CB . 51156 1 700 . 1 . 1 154 154 ARG N N 15 118.4159 0.3 . 1 . . . . . 154 ARG N . 51156 1 701 . 1 . 1 155 155 GLN H H 1 8.6008 0.020 . 1 . . . . . 155 GLN H . 51156 1 702 . 1 . 1 155 155 GLN C C 13 178.673 0.3 . 1 . . . . . 155 GLN C . 51156 1 703 . 1 . 1 155 155 GLN CA C 13 58.55 0.3 . 1 . . . . . 155 GLN CA . 51156 1 704 . 1 . 1 155 155 GLN CB C 13 28.251 0.3 . 1 . . . . . 155 GLN CB . 51156 1 705 . 1 . 1 155 155 GLN N N 15 117.6929 0.3 . 1 . . . . . 155 GLN N . 51156 1 706 . 1 . 1 156 156 ARG H H 1 7.4258 0.020 . 1 . . . . . 156 ARG H . 51156 1 707 . 1 . 1 156 156 ARG C C 13 178.245 0.3 . 1 . . . . . 156 ARG C . 51156 1 708 . 1 . 1 156 156 ARG CA C 13 60.415 0.3 . 1 . . . . . 156 ARG CA . 51156 1 709 . 1 . 1 156 156 ARG CB C 13 29.642 0.3 . 1 . . . . . 156 ARG CB . 51156 1 710 . 1 . 1 156 156 ARG N N 15 116.3079 0.3 . 1 . . . . . 156 ARG N . 51156 1 711 . 1 . 1 157 157 ILE H H 1 7.9588 0.020 . 1 . . . . . 157 ILE H . 51156 1 712 . 1 . 1 157 157 ILE C C 13 176.77 0.3 . 1 . . . . . 157 ILE C . 51156 1 713 . 1 . 1 157 157 ILE CA C 13 63.886 0.3 . 1 . . . . . 157 ILE CA . 51156 1 714 . 1 . 1 157 157 ILE CB C 13 34.977 0.3 . 1 . . . . . 157 ILE CB . 51156 1 715 . 1 . 1 157 157 ILE N N 15 120.0909 0.3 . 1 . . . . . 157 ILE N . 51156 1 716 . 1 . 1 158 158 ALA H H 1 7.9028 0.020 . 1 . . . . . 158 ALA H . 51156 1 717 . 1 . 1 158 158 ALA C C 13 181.253 0.3 . 1 . . . . . 158 ALA C . 51156 1 718 . 1 . 1 158 158 ALA CA C 13 54.658 0.3 . 1 . . . . . 158 ALA CA . 51156 1 719 . 1 . 1 158 158 ALA CB C 13 17.579 0.3 . 1 . . . . . 158 ALA CB . 51156 1 720 . 1 . 1 158 158 ALA N N 15 121.7869 0.3 . 1 . . . . . 158 ALA N . 51156 1 721 . 1 . 1 159 159 ILE H H 1 8.4568 0.020 . 1 . . . . . 159 ILE H . 51156 1 722 . 1 . 1 159 159 ILE C C 13 176.549 0.3 . 1 . . . . . 159 ILE C . 51156 1 723 . 1 . 1 159 159 ILE CA C 13 65.671 0.3 . 1 . . . . . 159 ILE CA . 51156 1 724 . 1 . 1 159 159 ILE CB C 13 37.144 0.3 . 1 . . . . . 159 ILE CB . 51156 1 725 . 1 . 1 159 159 ILE N N 15 121.5159 0.3 . 1 . . . . . 159 ILE N . 51156 1 726 . 1 . 1 160 160 ALA H H 1 8.3208 0.020 . 1 . . . . . 160 ALA H . 51156 1 727 . 1 . 1 160 160 ALA C C 13 178.288 0.3 . 1 . . . . . 160 ALA C . 51156 1 728 . 1 . 1 160 160 ALA CA C 13 55.057 0.3 . 1 . . . . . 160 ALA CA . 51156 1 729 . 1 . 1 160 160 ALA CB C 13 15.65 0.3 . 1 . . . . . 160 ALA CB . 51156 1 730 . 1 . 1 160 160 ALA N N 15 123.8329 0.3 . 1 . . . . . 160 ALA N . 51156 1 731 . 1 . 1 161 161 ARG H H 1 8.1358 0.020 . 1 . . . . . 161 ARG H . 51156 1 732 . 1 . 1 161 161 ARG C C 13 178.678 0.3 . 1 . . . . . 161 ARG C . 51156 1 733 . 1 . 1 161 161 ARG CA C 13 58.483 0.3 . 1 . . . . . 161 ARG CA . 51156 1 734 . 1 . 1 161 161 ARG CB C 13 29.706 0.3 . 1 . . . . . 161 ARG CB . 51156 1 735 . 1 . 1 161 161 ARG N N 15 116.5839 0.3 . 1 . . . . . 161 ARG N . 51156 1 736 . 1 . 1 162 162 ALA H H 1 7.8628 0.020 . 1 . . . . . 162 ALA H . 51156 1 737 . 1 . 1 162 162 ALA C C 13 179.448 0.3 . 1 . . . . . 162 ALA C . 51156 1 738 . 1 . 1 162 162 ALA CA C 13 54.785 0.3 . 1 . . . . . 162 ALA CA . 51156 1 739 . 1 . 1 162 162 ALA CB C 13 17.493 0.3 . 1 . . . . . 162 ALA CB . 51156 1 740 . 1 . 1 162 162 ALA N N 15 121.3809 0.3 . 1 . . . . . 162 ALA N . 51156 1 741 . 1 . 1 163 163 LEU H H 1 8.7438 0.020 . 1 . . . . . 163 LEU H . 51156 1 742 . 1 . 1 163 163 LEU C C 13 180.763 0.3 . 1 . . . . . 163 LEU C . 51156 1 743 . 1 . 1 163 163 LEU CA C 13 57.628 0.3 . 1 . . . . . 163 LEU CA . 51156 1 744 . 1 . 1 163 163 LEU CB C 13 40.771 0.3 . 1 . . . . . 163 LEU CB . 51156 1 745 . 1 . 1 163 163 LEU N N 15 118.4159 0.3 . 1 . . . . . 163 LEU N . 51156 1 746 . 1 . 1 164 164 LEU H H 1 7.8618 0.020 . 1 . . . . . 164 LEU H . 51156 1 747 . 1 . 1 164 164 LEU C C 13 178.654 0.3 . 1 . . . . . 164 LEU C . 51156 1 748 . 1 . 1 164 164 LEU CA C 13 56.715 0.3 . 1 . . . . . 164 LEU CA . 51156 1 749 . 1 . 1 164 164 LEU CB C 13 41.053 0.3 . 1 . . . . . 164 LEU CB . 51156 1 750 . 1 . 1 164 164 LEU N N 15 119.2619 0.3 . 1 . . . . . 164 LEU N . 51156 1 751 . 1 . 1 165 165 ARG H H 1 7.8688 0.020 . 1 . . . . . 165 ARG H . 51156 1 752 . 1 . 1 165 165 ARG C C 13 176.602 0.3 . 1 . . . . . 165 ARG C . 51156 1 753 . 1 . 1 165 165 ARG CA C 13 58.035 0.3 . 1 . . . . . 165 ARG CA . 51156 1 754 . 1 . 1 165 165 ARG CB C 13 29.773 0.3 . 1 . . . . . 165 ARG CB . 51156 1 755 . 1 . 1 165 165 ARG N N 15 117.6909 0.3 . 1 . . . . . 165 ARG N . 51156 1 756 . 1 . 1 166 166 ASN H H 1 8.2108 0.020 . 1 . . . . . 166 ASN H . 51156 1 757 . 1 . 1 166 166 ASN C C 13 171.85 0.3 . 1 . . . . . 166 ASN C . 51156 1 758 . 1 . 1 166 166 ASN CA C 13 53.017 0.3 . 1 . . . . . 166 ASN CA . 51156 1 759 . 1 . 1 166 166 ASN CB C 13 36.577 0.3 . 1 . . . . . 166 ASN CB . 51156 1 760 . 1 . 1 166 166 ASN N N 15 113.6479 0.3 . 1 . . . . . 166 ASN N . 51156 1 761 . 1 . 1 168 168 SER H H 1 8.1298 0.020 . 1 . . . . . 168 SER H . 51156 1 762 . 1 . 1 168 168 SER C C 13 179.565 0.3 . 1 . . . . . 168 SER C . 51156 1 763 . 1 . 1 168 168 SER CA C 13 60.281 0.3 . 1 . . . . . 168 SER CA . 51156 1 764 . 1 . 1 168 168 SER CB C 13 63.405 0.3 . 1 . . . . . 168 SER CB . 51156 1 765 . 1 . 1 168 168 SER N N 15 117.6289 0.3 . 1 . . . . . 168 SER N . 51156 1 766 . 1 . 1 169 169 ILE H H 1 7.9928 0.020 . 1 . . . . . 169 ILE H . 51156 1 767 . 1 . 1 169 169 ILE C C 13 173.193 0.3 . 1 . . . . . 169 ILE C . 51156 1 768 . 1 . 1 169 169 ILE CA C 13 59.898 0.3 . 1 . . . . . 169 ILE CA . 51156 1 769 . 1 . 1 169 169 ILE CB C 13 39.324 0.3 . 1 . . . . . 169 ILE CB . 51156 1 770 . 1 . 1 169 169 ILE N N 15 121.1449 0.3 . 1 . . . . . 169 ILE N . 51156 1 771 . 1 . 1 170 170 LEU H H 1 9.4208 0.020 . 1 . . . . . 170 LEU H . 51156 1 772 . 1 . 1 170 170 LEU C C 13 173.924 0.3 . 1 . . . . . 170 LEU C . 51156 1 773 . 1 . 1 170 170 LEU CA C 13 51.671 0.3 . 1 . . . . . 170 LEU CA . 51156 1 774 . 1 . 1 170 170 LEU CB C 13 43.683 0.3 . 1 . . . . . 170 LEU CB . 51156 1 775 . 1 . 1 170 170 LEU N N 15 128.5869 0.3 . 1 . . . . . 170 LEU N . 51156 1 776 . 1 . 1 171 171 MET H H 1 8.7918 0.020 . 1 . . . . . 171 MET H . 51156 1 777 . 1 . 1 171 171 MET C C 13 173.928 0.3 . 1 . . . . . 171 MET C . 51156 1 778 . 1 . 1 171 171 MET CA C 13 53.788 0.3 . 1 . . . . . 171 MET CA . 51156 1 779 . 1 . 1 171 171 MET CB C 13 33.959 0.3 . 1 . . . . . 171 MET CB . 51156 1 780 . 1 . 1 171 171 MET N N 15 124.6639 0.3 . 1 . . . . . 171 MET N . 51156 1 781 . 1 . 1 172 172 LEU H H 1 9.1828 0.020 . 1 . . . . . 172 LEU H . 51156 1 782 . 1 . 1 172 172 LEU C C 13 174.637 0.3 . 1 . . . . . 172 LEU C . 51156 1 783 . 1 . 1 172 172 LEU CA C 13 52.558 0.3 . 1 . . . . . 172 LEU CA . 51156 1 784 . 1 . 1 172 172 LEU CB C 13 44.374 0.3 . 1 . . . . . 172 LEU CB . 51156 1 785 . 1 . 1 172 172 LEU N N 15 122.5489 0.3 . 1 . . . . . 172 LEU N . 51156 1 786 . 1 . 1 173 173 ASP H H 1 8.3138 0.020 . 1 . . . . . 173 ASP H . 51156 1 787 . 1 . 1 173 173 ASP C C 13 176.656 0.3 . 1 . . . . . 173 ASP C . 51156 1 788 . 1 . 1 173 173 ASP CA C 13 52.443 0.3 . 1 . . . . . 173 ASP CA . 51156 1 789 . 1 . 1 173 173 ASP CB C 13 42.437 0.3 . 1 . . . . . 173 ASP CB . 51156 1 790 . 1 . 1 173 173 ASP N N 15 122.4209 0.3 . 1 . . . . . 173 ASP N . 51156 1 791 . 1 . 1 175 175 ALA H H 1 8.4158 0.020 . 1 . . . . . 175 ALA H . 51156 1 792 . 1 . 1 175 175 ALA C C 13 177.863 0.3 . 1 . . . . . 175 ALA C . 51156 1 793 . 1 . 1 175 175 ALA CA C 13 52.563 0.3 . 1 . . . . . 175 ALA CA . 51156 1 794 . 1 . 1 175 175 ALA CB C 13 18.396 0.3 . 1 . . . . . 175 ALA CB . 51156 1 795 . 1 . 1 175 175 ALA N N 15 123.5029 0.3 . 1 . . . . . 175 ALA N . 51156 1 796 . 1 . 1 176 176 THR H H 1 8.1078 0.020 . 1 . . . . . 176 THR H . 51156 1 797 . 1 . 1 176 176 THR C C 13 174.582 0.3 . 1 . . . . . 176 THR C . 51156 1 798 . 1 . 1 176 176 THR CA C 13 60.997 0.3 . 1 . . . . . 176 THR CA . 51156 1 799 . 1 . 1 176 176 THR CB C 13 69.238 0.3 . 1 . . . . . 176 THR CB . 51156 1 800 . 1 . 1 176 176 THR N N 15 111.1589 0.3 . 1 . . . . . 176 THR N . 51156 1 801 . 1 . 1 177 177 SER H H 1 8.1148 0.020 . 1 . . . . . 177 SER H . 51156 1 802 . 1 . 1 177 177 SER C C 13 174.443 0.3 . 1 . . . . . 177 SER C . 51156 1 803 . 1 . 1 177 177 SER CA C 13 58.038 0.3 . 1 . . . . . 177 SER CA . 51156 1 804 . 1 . 1 177 177 SER CB C 13 63.308 0.3 . 1 . . . . . 177 SER CB . 51156 1 805 . 1 . 1 177 177 SER N N 15 117.2769 0.3 . 1 . . . . . 177 SER N . 51156 1 806 . 1 . 1 178 178 SER H H 1 8.3958 0.020 . 1 . . . . . 178 SER H . 51156 1 807 . 1 . 1 178 178 SER C C 13 173.597 0.3 . 1 . . . . . 178 SER C . 51156 1 808 . 1 . 1 178 178 SER CA C 13 58.037 0.3 . 1 . . . . . 178 SER CA . 51156 1 809 . 1 . 1 178 178 SER CB C 13 63.309 0.3 . 1 . . . . . 178 SER CB . 51156 1 810 . 1 . 1 178 178 SER N N 15 117.2419 0.3 . 1 . . . . . 178 SER N . 51156 1 811 . 1 . 1 179 179 LEU H H 1 8.4038 0.020 . 1 . . . . . 179 LEU H . 51156 1 812 . 1 . 1 179 179 LEU C C 13 177.227 0.3 . 1 . . . . . 179 LEU C . 51156 1 813 . 1 . 1 179 179 LEU CA C 13 54.96 0.3 . 1 . . . . . 179 LEU CA . 51156 1 814 . 1 . 1 179 179 LEU CB C 13 41.389 0.3 . 1 . . . . . 179 LEU CB . 51156 1 815 . 1 . 1 179 179 LEU N N 15 123.5359 0.3 . 1 . . . . . 179 LEU N . 51156 1 816 . 1 . 1 180 180 ASP H H 1 8.2178 0.020 . 1 . . . . . 180 ASP H . 51156 1 817 . 1 . 1 180 180 ASP C C 13 176.55 0.3 . 1 . . . . . 180 ASP C . 51156 1 818 . 1 . 1 180 180 ASP CA C 13 53.701 0.3 . 1 . . . . . 180 ASP CA . 51156 1 819 . 1 . 1 180 180 ASP CB C 13 40.536 0.3 . 1 . . . . . 180 ASP CB . 51156 1 820 . 1 . 1 180 180 ASP N N 15 119.3869 0.3 . 1 . . . . . 180 ASP N . 51156 1 821 . 1 . 1 181 181 SER H H 1 8.3068 0.020 . 1 . . . . . 181 SER H . 51156 1 822 . 1 . 1 181 181 SER C C 13 172.654 0.3 . 1 . . . . . 181 SER C . 51156 1 823 . 1 . 1 181 181 SER CA C 13 59.908 0.3 . 1 . . . . . 181 SER CA . 51156 1 824 . 1 . 1 181 181 SER CB C 13 62.746 0.3 . 1 . . . . . 181 SER CB . 51156 1 825 . 1 . 1 181 181 SER N N 15 116.1499 0.3 . 1 . . . . . 181 SER N . 51156 1 826 . 1 . 1 183 183 SER H H 1 8.1968 0.020 . 1 . . . . . 183 SER H . 51156 1 827 . 1 . 1 183 183 SER C C 13 174.755 0.3 . 1 . . . . . 183 SER C . 51156 1 828 . 1 . 1 183 183 SER CA C 13 58.763 0.3 . 1 . . . . . 183 SER CA . 51156 1 829 . 1 . 1 183 183 SER CB C 13 63.034 0.3 . 1 . . . . . 183 SER CB . 51156 1 830 . 1 . 1 183 183 SER N N 15 116.0419 0.3 . 1 . . . . . 183 SER N . 51156 1 831 . 1 . 1 184 184 GLU H H 1 8.2398 0.020 . 1 . . . . . 184 GLU H . 51156 1 832 . 1 . 1 184 184 GLU C C 13 177.521 0.3 . 1 . . . . . 184 GLU C . 51156 1 833 . 1 . 1 184 184 GLU CA C 13 56.69 0.3 . 1 . . . . . 184 GLU CA . 51156 1 834 . 1 . 1 184 184 GLU CB C 13 29.408 0.3 . 1 . . . . . 184 GLU CB . 51156 1 835 . 1 . 1 184 184 GLU N N 15 122.1919 0.3 . 1 . . . . . 184 GLU N . 51156 1 836 . 1 . 1 186 186 SER H H 1 8.2598 0.020 . 1 . . . . . 186 SER H . 51156 1 837 . 1 . 1 186 186 SER C C 13 178.139 0.3 . 1 . . . . . 186 SER C . 51156 1 838 . 1 . 1 186 186 SER CA C 13 61.165 0.3 . 1 . . . . . 186 SER CA . 51156 1 839 . 1 . 1 186 186 SER CB C 13 61.507 0.3 . 1 . . . . . 186 SER CB . 51156 1 840 . 1 . 1 186 186 SER N N 15 113.5809 0.3 . 1 . . . . . 186 SER N . 51156 1 841 . 1 . 1 187 187 VAL H H 1 7.4458 0.020 . 1 . . . . . 187 VAL H . 51156 1 842 . 1 . 1 187 187 VAL C C 13 176.986 0.3 . 1 . . . . . 187 VAL C . 51156 1 843 . 1 . 1 187 187 VAL CA C 13 66.143 0.3 . 1 . . . . . 187 VAL CA . 51156 1 844 . 1 . 1 187 187 VAL CB C 13 30.356 0.3 . 1 . . . . . 187 VAL CB . 51156 1 845 . 1 . 1 187 187 VAL N N 15 121.2639 0.3 . 1 . . . . . 187 VAL N . 51156 1 846 . 1 . 1 188 188 GLN H H 1 7.7328 0.020 . 1 . . . . . 188 GLN H . 51156 1 847 . 1 . 1 188 188 GLN C C 13 178.903 0.3 . 1 . . . . . 188 GLN C . 51156 1 848 . 1 . 1 188 188 GLN CA C 13 58.398 0.3 . 1 . . . . . 188 GLN CA . 51156 1 849 . 1 . 1 188 188 GLN CB C 13 26.893 0.3 . 1 . . . . . 188 GLN CB . 51156 1 850 . 1 . 1 188 188 GLN N N 15 118.5639 0.3 . 1 . . . . . 188 GLN N . 51156 1 851 . 1 . 1 189 189 GLN H H 1 8.0828 0.020 . 1 . . . . . 189 GLN H . 51156 1 852 . 1 . 1 189 189 GLN C C 13 178.736 0.3 . 1 . . . . . 189 GLN C . 51156 1 853 . 1 . 1 189 189 GLN CA C 13 58.563 0.3 . 1 . . . . . 189 GLN CA . 51156 1 854 . 1 . 1 189 189 GLN CB C 13 27.754 0.3 . 1 . . . . . 189 GLN CB . 51156 1 855 . 1 . 1 189 189 GLN N N 15 117.2769 0.3 . 1 . . . . . 189 GLN N . 51156 1 856 . 1 . 1 190 190 ALA H H 1 7.8828 0.020 . 1 . . . . . 190 ALA H . 51156 1 857 . 1 . 1 190 190 ALA C C 13 179.34 0.3 . 1 . . . . . 190 ALA C . 51156 1 858 . 1 . 1 190 190 ALA CA C 13 54.587 0.3 . 1 . . . . . 190 ALA CA . 51156 1 859 . 1 . 1 190 190 ALA CB C 13 18.357 0.3 . 1 . . . . . 190 ALA CB . 51156 1 860 . 1 . 1 190 190 ALA N N 15 122.6089 0.3 . 1 . . . . . 190 ALA N . 51156 1 861 . 1 . 1 191 191 LEU H H 1 8.5938 0.020 . 1 . . . . . 191 LEU H . 51156 1 862 . 1 . 1 191 191 LEU C C 13 178.736 0.3 . 1 . . . . . 191 LEU C . 51156 1 863 . 1 . 1 191 191 LEU CA C 13 57.471 0.3 . 1 . . . . . 191 LEU CA . 51156 1 864 . 1 . 1 191 191 LEU CB C 13 40.772 0.3 . 1 . . . . . 191 LEU CB . 51156 1 865 . 1 . 1 191 191 LEU N N 15 118.9759 0.3 . 1 . . . . . 191 LEU N . 51156 1 866 . 1 . 1 192 192 GLU H H 1 7.9958 0.020 . 1 . . . . . 192 GLU H . 51156 1 867 . 1 . 1 192 192 GLU C C 13 179.86 0.3 . 1 . . . . . 192 GLU C . 51156 1 868 . 1 . 1 192 192 GLU CA C 13 59.272 0.3 . 1 . . . . . 192 GLU CA . 51156 1 869 . 1 . 1 192 192 GLU CB C 13 28.157 0.3 . 1 . . . . . 192 GLU CB . 51156 1 870 . 1 . 1 192 192 GLU N N 15 118.4179 0.3 . 1 . . . . . 192 GLU N . 51156 1 871 . 1 . 1 193 193 VAL H H 1 7.5208 0.020 . 1 . . . . . 193 VAL H . 51156 1 872 . 1 . 1 193 193 VAL C C 13 178.896 0.3 . 1 . . . . . 193 VAL C . 51156 1 873 . 1 . 1 193 193 VAL CA C 13 65.258 0.3 . 1 . . . . . 193 VAL CA . 51156 1 874 . 1 . 1 193 193 VAL CB C 13 30.731 0.3 . 1 . . . . . 193 VAL CB . 51156 1 875 . 1 . 1 193 193 VAL N N 15 119.2419 0.3 . 1 . . . . . 193 VAL N . 51156 1 876 . 1 . 1 194 194 LEU H H 1 7.9668 0.020 . 1 . . . . . 194 LEU H . 51156 1 877 . 1 . 1 194 194 LEU C C 13 176.439 0.3 . 1 . . . . . 194 LEU C . 51156 1 878 . 1 . 1 194 194 LEU CA C 13 57.082 0.3 . 1 . . . . . 194 LEU CA . 51156 1 879 . 1 . 1 194 194 LEU CB C 13 40.326 0.3 . 1 . . . . . 194 LEU CB . 51156 1 880 . 1 . 1 194 194 LEU N N 15 121.0279 0.3 . 1 . . . . . 194 LEU N . 51156 1 881 . 1 . 1 195 195 MET H H 1 8.3408 0.020 . 1 . . . . . 195 MET H . 51156 1 882 . 1 . 1 195 195 MET C C 13 177.095 0.3 . 1 . . . . . 195 MET C . 51156 1 883 . 1 . 1 195 195 MET CA C 13 57.969 0.3 . 1 . . . . . 195 MET CA . 51156 1 884 . 1 . 1 195 195 MET CB C 13 33.68 0.3 . 1 . . . . . 195 MET CB . 51156 1 885 . 1 . 1 195 195 MET N N 15 113.8209 0.3 . 1 . . . . . 195 MET N . 51156 1 886 . 1 . 1 196 196 GLU H H 1 7.0018 0.020 . 1 . . . . . 196 GLU H . 51156 1 887 . 1 . 1 196 196 GLU C C 13 177.807 0.3 . 1 . . . . . 196 GLU C . 51156 1 888 . 1 . 1 196 196 GLU CA C 13 57.959 0.3 . 1 . . . . . 196 GLU CA . 51156 1 889 . 1 . 1 196 196 GLU CB C 13 28.476 0.3 . 1 . . . . . 196 GLU CB . 51156 1 890 . 1 . 1 196 196 GLU N N 15 118.8839 0.3 . 1 . . . . . 196 GLU N . 51156 1 891 . 1 . 1 197 197 GLY H H 1 8.9758 0.020 . 1 . . . . . 197 GLY H . 51156 1 892 . 1 . 1 197 197 GLY C C 13 173.868 0.3 . 1 . . . . . 197 GLY C . 51156 1 893 . 1 . 1 197 197 GLY CA C 13 45.446 0.3 . 1 . . . . . 197 GLY CA . 51156 1 894 . 1 . 1 197 197 GLY N N 15 114.1869 0.3 . 1 . . . . . 197 GLY N . 51156 1 895 . 1 . 1 198 198 ARG H H 1 7.5208 0.020 . 1 . . . . . 198 ARG H . 51156 1 896 . 1 . 1 198 198 ARG C C 13 176.153 0.3 . 1 . . . . . 198 ARG C . 51156 1 897 . 1 . 1 198 198 ARG CA C 13 54.052 0.3 . 1 . . . . . 198 ARG CA . 51156 1 898 . 1 . 1 198 198 ARG CB C 13 30.936 0.3 . 1 . . . . . 198 ARG CB . 51156 1 899 . 1 . 1 198 198 ARG N N 15 117.8619 0.3 . 1 . . . . . 198 ARG N . 51156 1 900 . 1 . 1 199 199 THR H H 1 8.1318 0.020 . 1 . . . . . 199 THR H . 51156 1 901 . 1 . 1 199 199 THR C C 13 172.883 0.3 . 1 . . . . . 199 THR C . 51156 1 902 . 1 . 1 199 199 THR CA C 13 62.589 0.3 . 1 . . . . . 199 THR CA . 51156 1 903 . 1 . 1 199 199 THR CB C 13 68.808 0.3 . 1 . . . . . 199 THR CB . 51156 1 904 . 1 . 1 199 199 THR N N 15 120.6689 0.3 . 1 . . . . . 199 THR N . 51156 1 905 . 1 . 1 200 200 THR H H 1 8.6418 0.020 . 1 . . . . . 200 THR H . 51156 1 906 . 1 . 1 200 200 THR C C 13 172.438 0.3 . 1 . . . . . 200 THR C . 51156 1 907 . 1 . 1 200 200 THR CA C 13 62.297 0.3 . 1 . . . . . 200 THR CA . 51156 1 908 . 1 . 1 200 200 THR CB C 13 69.168 0.3 . 1 . . . . . 200 THR CB . 51156 1 909 . 1 . 1 200 200 THR N N 15 125.9509 0.3 . 1 . . . . . 200 THR N . 51156 1 910 . 1 . 1 201 201 ILE H H 1 9.2568 0.020 . 1 . . . . . 201 ILE H . 51156 1 911 . 1 . 1 201 201 ILE C C 13 174.307 0.3 . 1 . . . . . 201 ILE C . 51156 1 912 . 1 . 1 201 201 ILE CA C 13 59.501 0.3 . 1 . . . . . 201 ILE CA . 51156 1 913 . 1 . 1 201 201 ILE CB C 13 38.879 0.3 . 1 . . . . . 201 ILE CB . 51156 1 914 . 1 . 1 201 201 ILE N N 15 127.7069 0.3 . 1 . . . . . 201 ILE N . 51156 1 915 . 1 . 1 202 202 VAL H H 1 9.2228 0.020 . 1 . . . . . 202 VAL H . 51156 1 916 . 1 . 1 202 202 VAL C C 13 175.637 0.3 . 1 . . . . . 202 VAL C . 51156 1 917 . 1 . 1 202 202 VAL CA C 13 56.824 0.3 . 1 . . . . . 202 VAL CA . 51156 1 918 . 1 . 1 202 202 VAL CB C 13 35.303 0.3 . 1 . . . . . 202 VAL CB . 51156 1 919 . 1 . 1 202 202 VAL N N 15 124.7379 0.3 . 1 . . . . . 202 VAL N . 51156 1 920 . 1 . 1 203 203 ILE H H 1 8.6628 0.020 . 1 . . . . . 203 ILE H . 51156 1 921 . 1 . 1 203 203 ILE C C 13 174.638 0.3 . 1 . . . . . 203 ILE C . 51156 1 922 . 1 . 1 203 203 ILE CA C 13 61.629 0.3 . 1 . . . . . 203 ILE CA . 51156 1 923 . 1 . 1 203 203 ILE CB C 13 35.79 0.3 . 1 . . . . . 203 ILE CB . 51156 1 924 . 1 . 1 203 203 ILE N N 15 128.2329 0.3 . 1 . . . . . 203 ILE N . 51156 1 925 . 1 . 1 204 204 ALA H H 1 7.6358 0.020 . 1 . . . . . 204 ALA H . 51156 1 926 . 1 . 1 204 204 ALA C C 13 175.493 0.3 . 1 . . . . . 204 ALA C . 51156 1 927 . 1 . 1 204 204 ALA CA C 13 50.26 0.3 . 1 . . . . . 204 ALA CA . 51156 1 928 . 1 . 1 204 204 ALA CB C 13 21.649 0.3 . 1 . . . . . 204 ALA CB . 51156 1 929 . 1 . 1 204 204 ALA N N 15 129.1109 0.3 . 1 . . . . . 204 ALA N . 51156 1 930 . 1 . 1 205 205 HIS H H 1 10.2868 0.020 . 1 . . . . . 205 HIS H . 51156 1 931 . 1 . 1 205 205 HIS C C 13 174.469 0.3 . 1 . . . . . 205 HIS C . 51156 1 932 . 1 . 1 205 205 HIS CA C 13 54.945 0.3 . 1 . . . . . 205 HIS CA . 51156 1 933 . 1 . 1 205 205 HIS CB C 13 33.255 0.3 . 1 . . . . . 205 HIS CB . 51156 1 934 . 1 . 1 205 205 HIS N N 15 116.0709 0.3 . 1 . . . . . 205 HIS N . 51156 1 935 . 1 . 1 206 206 ARG H H 1 8.1088 0.020 . 1 . . . . . 206 ARG H . 51156 1 936 . 1 . 1 206 206 ARG C C 13 176.395 0.3 . 1 . . . . . 206 ARG C . 51156 1 937 . 1 . 1 206 206 ARG CA C 13 54.788 0.3 . 1 . . . . . 206 ARG CA . 51156 1 938 . 1 . 1 206 206 ARG CB C 13 30.931 0.3 . 1 . . . . . 206 ARG CB . 51156 1 939 . 1 . 1 206 206 ARG N N 15 119.8229 0.3 . 1 . . . . . 206 ARG N . 51156 1 940 . 1 . 1 207 207 LEU H H 1 8.6328 0.020 . 1 . . . . . 207 LEU H . 51156 1 941 . 1 . 1 207 207 LEU C C 13 177.742 0.3 . 1 . . . . . 207 LEU C . 51156 1 942 . 1 . 1 207 207 LEU CA C 13 57.09 0.3 . 1 . . . . . 207 LEU CA . 51156 1 943 . 1 . 1 207 207 LEU CB C 13 40.548 0.3 . 1 . . . . . 207 LEU CB . 51156 1 944 . 1 . 1 207 207 LEU N N 15 125.1779 0.3 . 1 . . . . . 207 LEU N . 51156 1 945 . 1 . 1 208 208 SER H H 1 8.6558 0.020 . 1 . . . . . 208 SER H . 51156 1 946 . 1 . 1 208 208 SER C C 13 179.522 0.3 . 1 . . . . . 208 SER C . 51156 1 947 . 1 . 1 208 208 SER CA C 13 60.504 0.3 . 1 . . . . . 208 SER CA . 51156 1 948 . 1 . 1 208 208 SER CB C 13 67.331 0.3 . 1 . . . . . 208 SER CB . 51156 1 949 . 1 . 1 208 208 SER N N 15 111.0669 0.3 . 1 . . . . . 208 SER N . 51156 1 950 . 1 . 1 209 209 THR H H 1 6.8778 0.020 . 1 . . . . . 209 THR H . 51156 1 951 . 1 . 1 209 209 THR C C 13 176.053 0.3 . 1 . . . . . 209 THR C . 51156 1 952 . 1 . 1 209 209 THR CA C 13 64.551 0.3 . 1 . . . . . 209 THR CA . 51156 1 953 . 1 . 1 209 209 THR CB C 13 66.926 0.3 . 1 . . . . . 209 THR CB . 51156 1 954 . 1 . 1 209 209 THR N N 15 117.0939 0.3 . 1 . . . . . 209 THR N . 51156 1 955 . 1 . 1 210 210 VAL H H 1 7.1928 0.020 . 1 . . . . . 210 VAL H . 51156 1 956 . 1 . 1 210 210 VAL C C 13 177.834 0.3 . 1 . . . . . 210 VAL C . 51156 1 957 . 1 . 1 210 210 VAL CA C 13 64.619 0.3 . 1 . . . . . 210 VAL CA . 51156 1 958 . 1 . 1 210 210 VAL CB C 13 30.594 0.3 . 1 . . . . . 210 VAL CB . 51156 1 959 . 1 . 1 210 210 VAL N N 15 115.1309 0.3 . 1 . . . . . 210 VAL N . 51156 1 960 . 1 . 1 211 211 VAL H H 1 7.9238 0.020 . 1 . . . . . 211 VAL H . 51156 1 961 . 1 . 1 211 211 VAL C C 13 176.656 0.3 . 1 . . . . . 211 VAL C . 51156 1 962 . 1 . 1 211 211 VAL CA C 13 65.356 0.3 . 1 . . . . . 211 VAL CA . 51156 1 963 . 1 . 1 211 211 VAL CB C 13 30.571 0.3 . 1 . . . . . 211 VAL CB . 51156 1 964 . 1 . 1 211 211 VAL N N 15 118.7889 0.3 . 1 . . . . . 211 VAL N . 51156 1 965 . 1 . 1 212 212 ASP H H 1 7.0628 0.020 . 1 . . . . . 212 ASP H . 51156 1 966 . 1 . 1 212 212 ASP C C 13 176.445 0.3 . 1 . . . . . 212 ASP C . 51156 1 967 . 1 . 1 212 212 ASP CA C 13 53.88 0.3 . 1 . . . . . 212 ASP CA . 51156 1 968 . 1 . 1 212 212 ASP CB C 13 41.05 0.3 . 1 . . . . . 212 ASP CB . 51156 1 969 . 1 . 1 212 212 ASP N N 15 115.3629 0.3 . 1 . . . . . 212 ASP N . 51156 1 970 . 1 . 1 213 213 ALA H H 1 7.1378 0.020 . 1 . . . . . 213 ALA H . 51156 1 971 . 1 . 1 213 213 ALA C C 13 177.094 0.3 . 1 . . . . . 213 ALA C . 51156 1 972 . 1 . 1 213 213 ALA CA C 13 52.619 0.3 . 1 . . . . . 213 ALA CA . 51156 1 973 . 1 . 1 213 213 ALA CB C 13 17.499 0.3 . 1 . . . . . 213 ALA CB . 51156 1 974 . 1 . 1 213 213 ALA N N 15 122.4079 0.3 . 1 . . . . . 213 ALA N . 51156 1 975 . 1 . 1 214 214 ASP H H 1 8.4678 0.020 . 1 . . . . . 214 ASP H . 51156 1 976 . 1 . 1 214 214 ASP C C 13 176.078 0.3 . 1 . . . . . 214 ASP C . 51156 1 977 . 1 . 1 214 214 ASP CA C 13 57.096 0.3 . 1 . . . . . 214 ASP CA . 51156 1 978 . 1 . 1 214 214 ASP CB C 13 42.209 0.3 . 1 . . . . . 214 ASP CB . 51156 1 979 . 1 . 1 214 214 ASP N N 15 120.5629 0.3 . 1 . . . . . 214 ASP N . 51156 1 980 . 1 . 1 215 215 GLN H H 1 7.9658 0.020 . 1 . . . . . 215 GLN H . 51156 1 981 . 1 . 1 215 215 GLN C C 13 171.628 0.3 . 1 . . . . . 215 GLN C . 51156 1 982 . 1 . 1 215 215 GLN CA C 13 54.932 0.3 . 1 . . . . . 215 GLN CA . 51156 1 983 . 1 . 1 215 215 GLN CB C 13 31.913 0.3 . 1 . . . . . 215 GLN CB . 51156 1 984 . 1 . 1 215 215 GLN N N 15 115.3749 0.3 . 1 . . . . . 215 GLN N . 51156 1 985 . 1 . 1 216 216 LEU H H 1 9.1138 0.020 . 1 . . . . . 216 LEU H . 51156 1 986 . 1 . 1 216 216 LEU C C 13 176.074 0.3 . 1 . . . . . 216 LEU C . 51156 1 987 . 1 . 1 216 216 LEU CA C 13 52.764 0.3 . 1 . . . . . 216 LEU CA . 51156 1 988 . 1 . 1 216 216 LEU CB C 13 43.003 0.3 . 1 . . . . . 216 LEU CB . 51156 1 989 . 1 . 1 216 216 LEU N N 15 126.9499 0.3 . 1 . . . . . 216 LEU N . 51156 1 990 . 1 . 1 217 217 LEU H H 1 8.7468 0.020 . 1 . . . . . 217 LEU H . 51156 1 991 . 1 . 1 217 217 LEU C C 13 173.723 0.3 . 1 . . . . . 217 LEU C . 51156 1 992 . 1 . 1 217 217 LEU CA C 13 52.76 0.3 . 1 . . . . . 217 LEU CA . 51156 1 993 . 1 . 1 217 217 LEU CB C 13 41.487 0.3 . 1 . . . . . 217 LEU CB . 51156 1 994 . 1 . 1 217 217 LEU N N 15 119.5879 0.3 . 1 . . . . . 217 LEU N . 51156 1 995 . 1 . 1 218 218 PHE H H 1 8.7578 0.020 . 1 . . . . . 218 PHE H . 51156 1 996 . 1 . 1 218 218 PHE C C 13 173.735 0.3 . 1 . . . . . 218 PHE C . 51156 1 997 . 1 . 1 218 218 PHE CA C 13 55.659 0.3 . 1 . . . . . 218 PHE CA . 51156 1 998 . 1 . 1 218 218 PHE CB C 13 39.008 0.3 . 1 . . . . . 218 PHE CB . 51156 1 999 . 1 . 1 218 218 PHE N N 15 124.9029 0.3 . 1 . . . . . 218 PHE N . 51156 1 1000 . 1 . 1 219 219 VAL H H 1 8.5238 0.020 . 1 . . . . . 219 VAL H . 51156 1 1001 . 1 . 1 219 219 VAL C C 13 175.003 0.3 . 1 . . . . . 219 VAL C . 51156 1 1002 . 1 . 1 219 219 VAL CA C 13 60.028 0.3 . 1 . . . . . 219 VAL CA . 51156 1 1003 . 1 . 1 219 219 VAL CB C 13 31.716 0.3 . 1 . . . . . 219 VAL CB . 51156 1 1004 . 1 . 1 219 219 VAL N N 15 128.9589 0.3 . 1 . . . . . 219 VAL N . 51156 1 1005 . 1 . 1 220 220 GLU H H 1 8.8198 0.020 . 1 . . . . . 220 GLU H . 51156 1 1006 . 1 . 1 220 220 GLU C C 13 176.221 0.3 . 1 . . . . . 220 GLU C . 51156 1 1007 . 1 . 1 220 220 GLU CA C 13 54.491 0.3 . 1 . . . . . 220 GLU CA . 51156 1 1008 . 1 . 1 220 220 GLU CB C 13 32.105 0.3 . 1 . . . . . 220 GLU CB . 51156 1 1009 . 1 . 1 220 220 GLU N N 15 124.6509 0.3 . 1 . . . . . 220 GLU N . 51156 1 1010 . 1 . 1 221 221 LYS H H 1 9.7018 0.020 . 1 . . . . . 221 LYS H . 51156 1 1011 . 1 . 1 221 221 LYS C C 13 176.221 0.3 . 1 . . . . . 221 LYS C . 51156 1 1012 . 1 . 1 221 221 LYS CA C 13 56.526 0.3 . 1 . . . . . 221 LYS CA . 51156 1 1013 . 1 . 1 221 221 LYS CB C 13 29.581 0.3 . 1 . . . . . 221 LYS CB . 51156 1 1014 . 1 . 1 221 221 LYS N N 15 124.0469 0.3 . 1 . . . . . 221 LYS N . 51156 1 1015 . 1 . 1 222 222 GLY H H 1 8.1668 0.020 . 1 . . . . . 222 GLY H . 51156 1 1016 . 1 . 1 222 222 GLY C C 13 172.445 0.3 . 1 . . . . . 222 GLY C . 51156 1 1017 . 1 . 1 222 222 GLY CA C 13 46.75 0.3 . 1 . . . . . 222 GLY CA . 51156 1 1018 . 1 . 1 222 222 GLY N N 15 104.5789 0.3 . 1 . . . . . 222 GLY N . 51156 1 1019 . 1 . 1 223 223 GLU H H 1 7.6988 0.020 . 1 . . . . . 223 GLU H . 51156 1 1020 . 1 . 1 223 223 GLU C C 13 175.596 0.3 . 1 . . . . . 223 GLU C . 51156 1 1021 . 1 . 1 223 223 GLU CA C 13 53.479 0.3 . 1 . . . . . 223 GLU CA . 51156 1 1022 . 1 . 1 223 223 GLU CB C 13 33.11 0.3 . 1 . . . . . 223 GLU CB . 51156 1 1023 . 1 . 1 223 223 GLU N N 15 114.8959 0.3 . 1 . . . . . 223 GLU N . 51156 1 1024 . 1 . 1 224 224 ILE H H 1 8.3348 0.020 . 1 . . . . . 224 ILE H . 51156 1 1025 . 1 . 1 224 224 ILE C C 13 177.477 0.3 . 1 . . . . . 224 ILE C . 51156 1 1026 . 1 . 1 224 224 ILE CA C 13 60.44 0.3 . 1 . . . . . 224 ILE CA . 51156 1 1027 . 1 . 1 224 224 ILE CB C 13 36.234 0.3 . 1 . . . . . 224 ILE CB . 51156 1 1028 . 1 . 1 224 224 ILE N N 15 120.1369 0.3 . 1 . . . . . 224 ILE N . 51156 1 1029 . 1 . 1 225 225 THR H H 1 8.9628 0.020 . 1 . . . . . 225 THR H . 51156 1 1030 . 1 . 1 225 225 THR C C 13 175.838 0.3 . 1 . . . . . 225 THR C . 51156 1 1031 . 1 . 1 225 225 THR CA C 13 61.141 0.3 . 1 . . . . . 225 THR CA . 51156 1 1032 . 1 . 1 225 225 THR CB C 13 68.522 0.3 . 1 . . . . . 225 THR CB . 51156 1 1033 . 1 . 1 225 225 THR N N 15 119.8569 0.3 . 1 . . . . . 225 THR N . 51156 1 1034 . 1 . 1 226 226 GLY H H 1 7.8288 0.020 . 1 . . . . . 226 GLY H . 51156 1 1035 . 1 . 1 226 226 GLY C C 13 169.711 0.3 . 1 . . . . . 226 GLY C . 51156 1 1036 . 1 . 1 226 226 GLY CA C 13 45.269 0.3 . 1 . . . . . 226 GLY CA . 51156 1 1037 . 1 . 1 226 226 GLY N N 15 109.1979 0.3 . 1 . . . . . 226 GLY N . 51156 1 1038 . 1 . 1 227 227 ARG H H 1 8.5208 0.020 . 1 . . . . . 227 ARG H . 51156 1 1039 . 1 . 1 227 227 ARG C C 13 174.198 0.3 . 1 . . . . . 227 ARG C . 51156 1 1040 . 1 . 1 227 227 ARG CA C 13 54.115 0.3 . 1 . . . . . 227 ARG CA . 51156 1 1041 . 1 . 1 227 227 ARG CB C 13 32.382 0.3 . 1 . . . . . 227 ARG CB . 51156 1 1042 . 1 . 1 227 227 ARG N N 15 121.0219 0.3 . 1 . . . . . 227 ARG N . 51156 1 1043 . 1 . 1 228 228 GLY H H 1 8.1958 0.020 . 1 . . . . . 228 GLY H . 51156 1 1044 . 1 . 1 228 228 GLY C C 13 172.556 0.3 . 1 . . . . . 228 GLY C . 51156 1 1045 . 1 . 1 228 228 GLY CA C 13 44.223 0.3 . 1 . . . . . 228 GLY CA . 51156 1 1046 . 1 . 1 228 228 GLY N N 15 109.5009 0.3 . 1 . . . . . 228 GLY N . 51156 1 1047 . 1 . 1 229 229 THR H H 1 8.5058 0.020 . 1 . . . . . 229 THR H . 51156 1 1048 . 1 . 1 229 229 THR C C 13 174.801 0.3 . 1 . . . . . 229 THR C . 51156 1 1049 . 1 . 1 229 229 THR CA C 13 60.675 0.3 . 1 . . . . . 229 THR CA . 51156 1 1050 . 1 . 1 229 229 THR CB C 13 70.816 0.3 . 1 . . . . . 229 THR CB . 51156 1 1051 . 1 . 1 229 229 THR N N 15 111.3869 0.3 . 1 . . . . . 229 THR N . 51156 1 1052 . 1 . 1 230 230 HIS H H 1 9.2238 0.020 . 1 . . . . . 230 HIS H . 51156 1 1053 . 1 . 1 230 230 HIS C C 13 176.554 0.3 . 1 . . . . . 230 HIS C . 51156 1 1054 . 1 . 1 230 230 HIS CA C 13 60.422 0.3 . 1 . . . . . 230 HIS CA . 51156 1 1055 . 1 . 1 230 230 HIS CB C 13 30.934 0.3 . 1 . . . . . 230 HIS CB . 51156 1 1056 . 1 . 1 230 230 HIS N N 15 120.5249 0.3 . 1 . . . . . 230 HIS N . 51156 1 1057 . 1 . 1 231 231 HIS H H 1 8.0878 0.020 . 1 . . . . . 231 HIS H . 51156 1 1058 . 1 . 1 231 231 HIS C C 13 178.961 0.3 . 1 . . . . . 231 HIS C . 51156 1 1059 . 1 . 1 231 231 HIS CA C 13 59.502 0.3 . 1 . . . . . 231 HIS CA . 51156 1 1060 . 1 . 1 231 231 HIS CB C 13 29.77 0.3 . 1 . . . . . 231 HIS CB . 51156 1 1061 . 1 . 1 231 231 HIS N N 15 114.1089 0.3 . 1 . . . . . 231 HIS N . 51156 1 1062 . 1 . 1 232 232 GLU H H 1 7.5548 0.020 . 1 . . . . . 232 GLU H . 51156 1 1063 . 1 . 1 232 232 GLU C C 13 180.105 0.3 . 1 . . . . . 232 GLU C . 51156 1 1064 . 1 . 1 232 232 GLU CA C 13 58.39 0.3 . 1 . . . . . 232 GLU CA . 51156 1 1065 . 1 . 1 232 232 GLU CB C 13 29.055 0.3 . 1 . . . . . 232 GLU CB . 51156 1 1066 . 1 . 1 232 232 GLU N N 15 119.2659 0.3 . 1 . . . . . 232 GLU N . 51156 1 1067 . 1 . 1 233 233 LEU H H 1 8.4158 0.020 . 1 . . . . . 233 LEU H . 51156 1 1068 . 1 . 1 233 233 LEU C C 13 179.503 0.3 . 1 . . . . . 233 LEU C . 51156 1 1069 . 1 . 1 233 233 LEU CA C 13 57.096 0.3 . 1 . . . . . 233 LEU CA . 51156 1 1070 . 1 . 1 233 233 LEU CB C 13 40.331 0.3 . 1 . . . . . 233 LEU CB . 51156 1 1071 . 1 . 1 233 233 LEU N N 15 121.6099 0.3 . 1 . . . . . 233 LEU N . 51156 1 1072 . 1 . 1 234 234 MET H H 1 8.5388 0.020 . 1 . . . . . 234 MET H . 51156 1 1073 . 1 . 1 234 234 MET C C 13 178.626 0.3 . 1 . . . . . 234 MET C . 51156 1 1074 . 1 . 1 234 234 MET CA C 13 56.532 0.3 . 1 . . . . . 234 MET CA . 51156 1 1075 . 1 . 1 234 234 MET CB C 13 29.98 0.3 . 1 . . . . . 234 MET CB . 51156 1 1076 . 1 . 1 234 234 MET N N 15 117.0169 0.3 . 1 . . . . . 234 MET N . 51156 1 1077 . 1 . 1 235 235 ALA H H 1 7.0558 0.020 . 1 . . . . . 235 ALA H . 51156 1 1078 . 1 . 1 235 235 ALA C C 13 179.175 0.3 . 1 . . . . . 235 ALA C . 51156 1 1079 . 1 . 1 235 235 ALA CA C 13 53.021 0.3 . 1 . . . . . 235 ALA CA . 51156 1 1080 . 1 . 1 235 235 ALA CB C 13 18.36 0.3 . 1 . . . . . 235 ALA CB . 51156 1 1081 . 1 . 1 235 235 ALA N N 15 117.2479 0.3 . 1 . . . . . 235 ALA N . 51156 1 1082 . 1 . 1 236 236 SER H H 1 7.7468 0.020 . 1 . . . . . 236 SER H . 51156 1 1083 . 1 . 1 236 236 SER C C 13 173.928 0.3 . 1 . . . . . 236 SER C . 51156 1 1084 . 1 . 1 236 236 SER CA C 13 58.458 0.3 . 1 . . . . . 236 SER CA . 51156 1 1085 . 1 . 1 236 236 SER CB C 13 65.561 0.3 . 1 . . . . . 236 SER CB . 51156 1 1086 . 1 . 1 236 236 SER N N 15 109.6609 0.3 . 1 . . . . . 236 SER N . 51156 1 1087 . 1 . 1 237 237 HIS H H 1 8.9638 0.020 . 1 . . . . . 237 HIS H . 51156 1 1088 . 1 . 1 237 237 HIS C C 13 175.166 0.3 . 1 . . . . . 237 HIS C . 51156 1 1089 . 1 . 1 237 237 HIS CA C 13 55.986 0.3 . 1 . . . . . 237 HIS CA . 51156 1 1090 . 1 . 1 237 237 HIS CB C 13 32.469 0.3 . 1 . . . . . 237 HIS CB . 51156 1 1091 . 1 . 1 237 237 HIS N N 15 128.7319 0.3 . 1 . . . . . 237 HIS N . 51156 1 1092 . 1 . 1 238 238 GLY H H 1 8.6148 0.020 . 1 . . . . . 238 GLY H . 51156 1 1093 . 1 . 1 238 238 GLY C C 13 175.625 0.3 . 1 . . . . . 238 GLY C . 51156 1 1094 . 1 . 1 238 238 GLY CA C 13 47.189 0.3 . 1 . . . . . 238 GLY CA . 51156 1 1095 . 1 . 1 238 238 GLY N N 15 113.7349 0.3 . 1 . . . . . 238 GLY N . 51156 1 1096 . 1 . 1 239 239 LEU H H 1 8.1428 0.020 . 1 . . . . . 239 LEU H . 51156 1 1097 . 1 . 1 239 239 LEU C C 13 179.994 0.3 . 1 . . . . . 239 LEU C . 51156 1 1098 . 1 . 1 239 239 LEU CA C 13 56.809 0.3 . 1 . . . . . 239 LEU CA . 51156 1 1099 . 1 . 1 239 239 LEU CB C 13 40.664 0.3 . 1 . . . . . 239 LEU CB . 51156 1 1100 . 1 . 1 239 239 LEU N N 15 121.9699 0.3 . 1 . . . . . 239 LEU N . 51156 1 1101 . 1 . 1 240 240 TYR H H 1 9.6468 0.020 . 1 . . . . . 240 TYR H . 51156 1 1102 . 1 . 1 240 240 TYR C C 13 176.222 0.3 . 1 . . . . . 240 TYR C . 51156 1 1103 . 1 . 1 240 240 TYR CA C 13 62.225 0.3 . 1 . . . . . 240 TYR CA . 51156 1 1104 . 1 . 1 240 240 TYR CB C 13 35.987 0.3 . 1 . . . . . 240 TYR CB . 51156 1 1105 . 1 . 1 240 240 TYR N N 15 125.3099 0.3 . 1 . . . . . 240 TYR N . 51156 1 1106 . 1 . 1 241 241 ARG H H 1 8.3008 0.020 . 1 . . . . . 241 ARG H . 51156 1 1107 . 1 . 1 241 241 ARG C C 13 178.408 0.3 . 1 . . . . . 241 ARG C . 51156 1 1108 . 1 . 1 241 241 ARG CA C 13 59.503 0.3 . 1 . . . . . 241 ARG CA . 51156 1 1109 . 1 . 1 241 241 ARG CB C 13 28.909 0.3 . 1 . . . . . 241 ARG CB . 51156 1 1110 . 1 . 1 241 241 ARG N N 15 118.6479 0.3 . 1 . . . . . 241 ARG N . 51156 1 1111 . 1 . 1 242 242 ASP H H 1 7.6238 0.020 . 1 . . . . . 242 ASP H . 51156 1 1112 . 1 . 1 242 242 ASP C C 13 177.964 0.3 . 1 . . . . . 242 ASP C . 51156 1 1113 . 1 . 1 242 242 ASP CA C 13 56.961 0.3 . 1 . . . . . 242 ASP CA . 51156 1 1114 . 1 . 1 242 242 ASP CB C 13 40.328 0.3 . 1 . . . . . 242 ASP CB . 51156 1 1115 . 1 . 1 242 242 ASP N N 15 117.0439 0.3 . 1 . . . . . 242 ASP N . 51156 1 1116 . 1 . 1 243 243 PHE H H 1 8.0598 0.020 . 1 . . . . . 243 PHE H . 51156 1 1117 . 1 . 1 243 243 PHE C C 13 177.375 0.3 . 1 . . . . . 243 PHE C . 51156 1 1118 . 1 . 1 243 243 PHE CA C 13 60.984 0.3 . 1 . . . . . 243 PHE CA . 51156 1 1119 . 1 . 1 243 243 PHE CB C 13 38.079 0.3 . 1 . . . . . 243 PHE CB . 51156 1 1120 . 1 . 1 243 243 PHE N N 15 121.6949 0.3 . 1 . . . . . 243 PHE N . 51156 1 1121 . 1 . 1 244 244 ALA H H 1 9.2648 0.020 . 1 . . . . . 244 ALA H . 51156 1 1122 . 1 . 1 244 244 ALA C C 13 179.718 0.3 . 1 . . . . . 244 ALA C . 51156 1 1123 . 1 . 1 244 244 ALA CA C 13 54.353 0.3 . 1 . . . . . 244 ALA CA . 51156 1 1124 . 1 . 1 244 244 ALA CB C 13 17.054 0.3 . 1 . . . . . 244 ALA CB . 51156 1 1125 . 1 . 1 244 244 ALA N N 15 123.0779 0.3 . 1 . . . . . 244 ALA N . 51156 1 1126 . 1 . 1 245 245 GLU H H 1 7.9778 0.020 . 1 . . . . . 245 GLU H . 51156 1 1127 . 1 . 1 245 245 GLU C C 13 178.353 0.3 . 1 . . . . . 245 GLU C . 51156 1 1128 . 1 . 1 245 245 GLU CA C 13 58.257 0.3 . 1 . . . . . 245 GLU CA . 51156 1 1129 . 1 . 1 245 245 GLU CB C 13 29.332 0.3 . 1 . . . . . 245 GLU CB . 51156 1 1130 . 1 . 1 245 245 GLU N N 15 114.6659 0.3 . 1 . . . . . 245 GLU N . 51156 1 1131 . 1 . 1 246 246 GLN H H 1 7.8828 0.020 . 1 . . . . . 246 GLN H . 51156 1 1132 . 1 . 1 246 246 GLN C C 13 177.695 0.3 . 1 . . . . . 246 GLN C . 51156 1 1133 . 1 . 1 246 246 GLN CA C 13 56.922 0.3 . 1 . . . . . 246 GLN CA . 51156 1 1134 . 1 . 1 246 246 GLN CB C 13 29.205 0.3 . 1 . . . . . 246 GLN CB . 51156 1 1135 . 1 . 1 246 246 GLN N N 15 114.1929 0.3 . 1 . . . . . 246 GLN N . 51156 1 1136 . 1 . 1 247 247 GLN H H 1 8.3198 0.020 . 1 . . . . . 247 GLN H . 51156 1 1137 . 1 . 1 247 247 GLN C C 13 177.04 0.3 . 1 . . . . . 247 GLN C . 51156 1 1138 . 1 . 1 247 247 GLN CA C 13 56.366 0.3 . 1 . . . . . 247 GLN CA . 51156 1 1139 . 1 . 1 247 247 GLN CB C 13 28.37 0.3 . 1 . . . . . 247 GLN CB . 51156 1 1140 . 1 . 1 247 247 GLN N N 15 115.0399 0.3 . 1 . . . . . 247 GLN N . 51156 1 1141 . 1 . 1 248 248 LEU H H 1 7.1748 0.020 . 1 . . . . . 248 LEU H . 51156 1 1142 . 1 . 1 248 248 LEU C C 13 176.975 0.3 . 1 . . . . . 248 LEU C . 51156 1 1143 . 1 . 1 248 248 LEU CA C 13 54.369 0.3 . 1 . . . . . 248 LEU CA . 51156 1 1144 . 1 . 1 248 248 LEU CB C 13 40.479 0.3 . 1 . . . . . 248 LEU CB . 51156 1 1145 . 1 . 1 248 248 LEU N N 15 117.2429 0.3 . 1 . . . . . 248 LEU N . 51156 1 1146 . 1 . 1 249 249 LYS H H 1 7.8968 0.020 . 1 . . . . . 249 LYS H . 51156 1 1147 . 1 . 1 249 249 LYS C C 13 176.993 0.3 . 1 . . . . . 249 LYS C . 51156 1 1148 . 1 . 1 249 249 LYS CA C 13 56.221 0.3 . 1 . . . . . 249 LYS CA . 51156 1 1149 . 1 . 1 249 249 LYS CB C 13 31.309 0.3 . 1 . . . . . 249 LYS CB . 51156 1 1150 . 1 . 1 249 249 LYS N N 15 118.4949 0.3 . 1 . . . . . 249 LYS N . 51156 1 1151 . 1 . 1 250 250 MET H H 1 8.3548 0.020 . 1 . . . . . 250 MET H . 51156 1 1152 . 1 . 1 250 250 MET C C 13 175.874 0.3 . 1 . . . . . 250 MET C . 51156 1 1153 . 1 . 1 250 250 MET CA C 13 55.512 0.3 . 1 . . . . . 250 MET CA . 51156 1 1154 . 1 . 1 250 250 MET CB C 13 32.383 0.3 . 1 . . . . . 250 MET CB . 51156 1 1155 . 1 . 1 250 250 MET N N 15 121.3329 0.3 . 1 . . . . . 250 MET N . 51156 1 1156 . 1 . 1 251 251 ASN H H 1 8.4438 0.020 . 1 . . . . . 251 ASN H . 51156 1 1157 . 1 . 1 251 251 ASN C C 13 175.109 0.3 . 1 . . . . . 251 ASN C . 51156 1 1158 . 1 . 1 251 251 ASN CA C 13 52.764 0.3 . 1 . . . . . 251 ASN CA . 51156 1 1159 . 1 . 1 251 251 ASN CB C 13 37.817 0.3 . 1 . . . . . 251 ASN CB . 51156 1 1160 . 1 . 1 251 251 ASN N N 15 119.7379 0.3 . 1 . . . . . 251 ASN N . 51156 1 1161 . 1 . 1 252 252 ALA H H 1 8.2868 0.020 . 1 . . . . . 252 ALA H . 51156 1 1162 . 1 . 1 252 252 ALA C C 13 177.529 0.3 . 1 . . . . . 252 ALA C . 51156 1 1163 . 1 . 1 252 252 ALA CA C 13 52.662 0.3 . 1 . . . . . 252 ALA CA . 51156 1 1164 . 1 . 1 252 252 ALA CB C 13 18.396 0.3 . 1 . . . . . 252 ALA CB . 51156 1 1165 . 1 . 1 252 252 ALA N N 15 124.3089 0.3 . 1 . . . . . 252 ALA N . 51156 1 1166 . 1 . 1 253 253 ASP H H 1 8.3068 0.020 . 1 . . . . . 253 ASP H . 51156 1 1167 . 1 . 1 253 253 ASP C C 13 176.495 0.3 . 1 . . . . . 253 ASP C . 51156 1 1168 . 1 . 1 253 253 ASP CA C 13 54.188 0.3 . 1 . . . . . 253 ASP CA . 51156 1 1169 . 1 . 1 253 253 ASP CB C 13 40.327 0.3 . 1 . . . . . 253 ASP CB . 51156 1 1170 . 1 . 1 253 253 ASP N N 15 118.8889 0.3 . 1 . . . . . 253 ASP N . 51156 1 1171 . 1 . 1 254 254 LEU H H 1 8.0538 0.020 . 1 . . . . . 254 LEU H . 51156 1 1172 . 1 . 1 254 254 LEU C C 13 177.801 0.3 . 1 . . . . . 254 LEU C . 51156 1 1173 . 1 . 1 254 254 LEU CA C 13 55.057 0.3 . 1 . . . . . 254 LEU CA . 51156 1 1174 . 1 . 1 254 254 LEU CB C 13 40.867 0.3 . 1 . . . . . 254 LEU CB . 51156 1 1175 . 1 . 1 254 254 LEU N N 15 121.4969 0.3 . 1 . . . . . 254 LEU N . 51156 1 1176 . 1 . 1 255 255 GLU H H 1 8.2318 0.020 . 1 . . . . . 255 GLU H . 51156 1 1177 . 1 . 1 255 255 GLU C C 13 176.33 0.3 . 1 . . . . . 255 GLU C . 51156 1 1178 . 1 . 1 255 255 GLU CA C 13 56.378 0.3 . 1 . . . . . 255 GLU CA . 51156 1 1179 . 1 . 1 255 255 GLU CB C 13 29.346 0.3 . 1 . . . . . 255 GLU CB . 51156 1 1180 . 1 . 1 255 255 GLU N N 15 120.1499 0.3 . 1 . . . . . 255 GLU N . 51156 1 1181 . 1 . 1 256 256 ASN H H 1 8.3278 0.020 . 1 . . . . . 256 ASN H . 51156 1 1182 . 1 . 1 256 256 ASN C C 13 175.111 0.3 . 1 . . . . . 256 ASN C . 51156 1 1183 . 1 . 1 256 256 ASN CA C 13 52.827 0.3 . 1 . . . . . 256 ASN CA . 51156 1 1184 . 1 . 1 256 256 ASN CB C 13 38.02 0.3 . 1 . . . . . 256 ASN CB . 51156 1 1185 . 1 . 1 256 256 ASN N N 15 119.2489 0.3 . 1 . . . . . 256 ASN N . 51156 1 1186 . 1 . 1 257 257 LYS H H 1 8.2588 0.020 . 1 . . . . . 257 LYS H . 51156 1 1187 . 1 . 1 257 257 LYS C C 13 176.212 0.3 . 1 . . . . . 257 LYS C . 51156 1 1188 . 1 . 1 257 257 LYS CA C 13 55.795 0.3 . 1 . . . . . 257 LYS CA . 51156 1 1189 . 1 . 1 257 257 LYS CB C 13 31.716 0.3 . 1 . . . . . 257 LYS CB . 51156 1 1190 . 1 . 1 257 257 LYS N N 15 122.1479 0.3 . 1 . . . . . 257 LYS N . 51156 1 1191 . 1 . 1 258 258 ALA H H 1 8.3138 0.020 . 1 . . . . . 258 ALA H . 51156 1 1192 . 1 . 1 258 258 ALA C C 13 177.138 0.3 . 1 . . . . . 258 ALA C . 51156 1 1193 . 1 . 1 258 258 ALA CA C 13 51.646 0.3 . 1 . . . . . 258 ALA CA . 51156 1 1194 . 1 . 1 258 258 ALA CB C 13 18.497 0.3 . 1 . . . . . 258 ALA CB . 51156 1 1195 . 1 . 1 258 258 ALA N N 15 125.4329 0.3 . 1 . . . . . 258 ALA N . 51156 1 1196 . 1 . 1 259 259 GLY H H 1 7.8898 0.020 . 1 . . . . . 259 GLY H . 51156 1 1197 . 1 . 1 259 259 GLY C C 13 179.012 0.3 . 1 . . . . . 259 GLY C . 51156 1 1198 . 1 . 1 259 259 GLY CA C 13 45.59 0.3 . 1 . . . . . 259 GLY CA . 51156 1 1199 . 1 . 1 259 259 GLY N N 15 114.4319 0.3 . 1 . . . . . 259 GLY N . 51156 1 stop_ save_