data_26805 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26805 _Entry.Title ; 13C,15N chemical shifts of human Aquaporin-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-22 _Entry.Accession_date 2016-05-22 _Entry.Last_release_date 2016-10-13 _Entry.Original_release_date 2016-10-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _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 Shenlin Wang . . . . 26805 2 Christopher Ing . . . . 26805 3 Sanaz Emami . . . . 26805 4 Yunjiang Jiang . . . . 26805 5 Hongjun Liang . . . . 26805 6 Regis Pomes . . . . 26805 7 Leonid Brown . S. . . 26805 8 vladimir Ladizhansky . . . . 26805 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26805 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 744 26805 '15N chemical shifts' 207 26805 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-10-13 . original BMRB . 26805 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26805 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27583975 _Citation.Full_citation . _Citation.Title ; Structure and Dynamics of Extracellular Loops in Human Aquaporin-1 from Solid-State NMR and Molecular Dynamics ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J Phys Chem B.' _Citation.Journal_name_full . _Citation.Journal_volume 120 _Citation.Journal_issue 37 _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 9887 _Citation.Page_last 9902 _Citation.Year 2016 _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 Shenlin Wang . . . . 26805 1 2 Christopher Ing . . . . 26805 1 3 Sanaz Emami . . . . 26805 1 4 Yunjiang Jiang . . . . 26805 1 5 Hongjun Liang . . . . 26805 1 6 Regis Pomes . . . . 26805 1 7 Leonid Brown . S. . . 26805 1 8 Vladimir Ladizhansky . . . . 26805 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Human Aquaporin 1' 26805 1 'chemical shifts' 26805 1 'hydrogen-deuterium exchange' 26805 1 'magic angle spinning' 26805 1 'multidimensional spectroscopy' 26805 1 'solid-state NMR' 26805 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26805 _Assembly.ID 1 _Assembly.Name 'human aquaporin 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'human aquaporin 1' 1 $human_aquaporin_1 A . yes native no no . . . 26805 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_aquaporin_1 _Entity.Sf_category entity _Entity.Sf_framecode human_aquaporin_1 _Entity.Entry_ID 26805 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name human_aquaporin_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 ; masefkkklfwravvaefla ttlfvfisigsalgfkypvg nnqtavqdnvkvslafglsi atlaqsvghisgahlnpavt lglllscqisifralmyiia qcvgaivatailsgitsslt gnslgrndladgvnsgqglg ieiigtlqlvlcvlattdrr rrdlggsaplaiglsvalgh llaidytgcginparsfgsa vithnfsnhwifwvgpfigg alavliydfilaprssdltd rvkvwtsgqveeydldaddi nsrvemkpkaleqkliseed lnsavdhhhhhh ; _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 292 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 1 MET . 26805 1 2 2 ALA . 26805 1 3 3 SER . 26805 1 4 4 GLU . 26805 1 5 5 PHE . 26805 1 6 6 LYS . 26805 1 7 7 LYS . 26805 1 8 8 LYS . 26805 1 9 9 LEU . 26805 1 10 10 PHE . 26805 1 11 11 TRP . 26805 1 12 12 ARG . 26805 1 13 13 ALA . 26805 1 14 14 VAL . 26805 1 15 15 VAL . 26805 1 16 16 ALA . 26805 1 17 17 GLU . 26805 1 18 18 PHE . 26805 1 19 19 LEU . 26805 1 20 20 ALA . 26805 1 21 21 THR . 26805 1 22 22 THR . 26805 1 23 23 LEU . 26805 1 24 24 PHE . 26805 1 25 25 VAL . 26805 1 26 26 PHE . 26805 1 27 27 ILE . 26805 1 28 28 SER . 26805 1 29 29 ILE . 26805 1 30 30 GLY . 26805 1 31 31 SER . 26805 1 32 32 ALA . 26805 1 33 33 LEU . 26805 1 34 34 GLY . 26805 1 35 35 PHE . 26805 1 36 36 LYS . 26805 1 37 37 TYR . 26805 1 38 38 PRO . 26805 1 39 39 VAL . 26805 1 40 40 GLY . 26805 1 41 41 ASN . 26805 1 42 42 ASN . 26805 1 43 43 GLN . 26805 1 44 44 THR . 26805 1 45 45 ALA . 26805 1 46 46 VAL . 26805 1 47 47 GLN . 26805 1 48 48 ASP . 26805 1 49 49 ASN . 26805 1 50 50 VAL . 26805 1 51 51 LYS . 26805 1 52 52 VAL . 26805 1 53 53 SER . 26805 1 54 54 LEU . 26805 1 55 55 ALA . 26805 1 56 56 PHE . 26805 1 57 57 GLY . 26805 1 58 58 LEU . 26805 1 59 59 SER . 26805 1 60 60 ILE . 26805 1 61 61 ALA . 26805 1 62 62 THR . 26805 1 63 63 LEU . 26805 1 64 64 ALA . 26805 1 65 65 GLN . 26805 1 66 66 SER . 26805 1 67 67 VAL . 26805 1 68 68 GLY . 26805 1 69 69 HIS . 26805 1 70 70 ILE . 26805 1 71 71 SER . 26805 1 72 72 GLY . 26805 1 73 73 ALA . 26805 1 74 74 HIS . 26805 1 75 75 LEU . 26805 1 76 76 ASN . 26805 1 77 77 PRO . 26805 1 78 78 ALA . 26805 1 79 79 VAL . 26805 1 80 80 THR . 26805 1 81 81 LEU . 26805 1 82 82 GLY . 26805 1 83 83 LEU . 26805 1 84 84 LEU . 26805 1 85 85 LEU . 26805 1 86 86 SER . 26805 1 87 87 CYS . 26805 1 88 88 GLN . 26805 1 89 89 ILE . 26805 1 90 90 SER . 26805 1 91 91 ILE . 26805 1 92 92 PHE . 26805 1 93 93 ARG . 26805 1 94 94 ALA . 26805 1 95 95 LEU . 26805 1 96 96 MET . 26805 1 97 97 TYR . 26805 1 98 98 ILE . 26805 1 99 99 ILE . 26805 1 100 100 ALA . 26805 1 101 101 GLN . 26805 1 102 102 CYS . 26805 1 103 103 VAL . 26805 1 104 104 GLY . 26805 1 105 105 ALA . 26805 1 106 106 ILE . 26805 1 107 107 VAL . 26805 1 108 108 ALA . 26805 1 109 109 THR . 26805 1 110 110 ALA . 26805 1 111 111 ILE . 26805 1 112 112 LEU . 26805 1 113 113 SER . 26805 1 114 114 GLY . 26805 1 115 115 ILE . 26805 1 116 116 THR . 26805 1 117 117 SER . 26805 1 118 118 SER . 26805 1 119 119 LEU . 26805 1 120 120 THR . 26805 1 121 121 GLY . 26805 1 122 122 ASN . 26805 1 123 123 SER . 26805 1 124 124 LEU . 26805 1 125 125 GLY . 26805 1 126 126 ARG . 26805 1 127 127 ASN . 26805 1 128 128 ASP . 26805 1 129 129 LEU . 26805 1 130 130 ALA . 26805 1 131 131 ASP . 26805 1 132 132 GLY . 26805 1 133 133 VAL . 26805 1 134 134 ASN . 26805 1 135 135 SER . 26805 1 136 136 GLY . 26805 1 137 137 GLN . 26805 1 138 138 GLY . 26805 1 139 139 LEU . 26805 1 140 140 GLY . 26805 1 141 141 ILE . 26805 1 142 142 GLU . 26805 1 143 143 ILE . 26805 1 144 144 ILE . 26805 1 145 145 GLY . 26805 1 146 146 THR . 26805 1 147 147 LEU . 26805 1 148 148 GLN . 26805 1 149 149 LEU . 26805 1 150 150 VAL . 26805 1 151 151 LEU . 26805 1 152 152 CYS . 26805 1 153 153 VAL . 26805 1 154 154 LEU . 26805 1 155 155 ALA . 26805 1 156 156 THR . 26805 1 157 157 THR . 26805 1 158 158 ASP . 26805 1 159 159 ARG . 26805 1 160 160 ARG . 26805 1 161 161 ARG . 26805 1 162 162 ARG . 26805 1 163 163 ASP . 26805 1 164 164 LEU . 26805 1 165 165 GLY . 26805 1 166 166 GLY . 26805 1 167 167 SER . 26805 1 168 168 ALA . 26805 1 169 169 PRO . 26805 1 170 170 LEU . 26805 1 171 171 ALA . 26805 1 172 172 ILE . 26805 1 173 173 GLY . 26805 1 174 174 LEU . 26805 1 175 175 SER . 26805 1 176 176 VAL . 26805 1 177 177 ALA . 26805 1 178 178 LEU . 26805 1 179 179 GLY . 26805 1 180 180 HIS . 26805 1 181 181 LEU . 26805 1 182 182 LEU . 26805 1 183 183 ALA . 26805 1 184 184 ILE . 26805 1 185 185 ASP . 26805 1 186 186 TYR . 26805 1 187 187 THR . 26805 1 188 188 GLY . 26805 1 189 189 CYS . 26805 1 190 190 GLY . 26805 1 191 191 ILE . 26805 1 192 192 ASN . 26805 1 193 193 PRO . 26805 1 194 194 ALA . 26805 1 195 195 ARG . 26805 1 196 196 SER . 26805 1 197 197 PHE . 26805 1 198 198 GLY . 26805 1 199 199 SER . 26805 1 200 200 ALA . 26805 1 201 201 VAL . 26805 1 202 202 ILE . 26805 1 203 203 THR . 26805 1 204 204 HIS . 26805 1 205 205 ASN . 26805 1 206 206 PHE . 26805 1 207 207 SER . 26805 1 208 208 ASN . 26805 1 209 209 HIS . 26805 1 210 210 TRP . 26805 1 211 211 ILE . 26805 1 212 212 PHE . 26805 1 213 213 TRP . 26805 1 214 214 VAL . 26805 1 215 215 GLY . 26805 1 216 216 PRO . 26805 1 217 217 PHE . 26805 1 218 218 ILE . 26805 1 219 219 GLY . 26805 1 220 220 GLY . 26805 1 221 221 ALA . 26805 1 222 222 LEU . 26805 1 223 223 ALA . 26805 1 224 224 VAL . 26805 1 225 225 LEU . 26805 1 226 226 ILE . 26805 1 227 227 TYR . 26805 1 228 228 ASP . 26805 1 229 229 PHE . 26805 1 230 230 ILE . 26805 1 231 231 LEU . 26805 1 232 232 ALA . 26805 1 233 233 PRO . 26805 1 234 234 ARG . 26805 1 235 235 SER . 26805 1 236 236 SER . 26805 1 237 237 ASP . 26805 1 238 238 LEU . 26805 1 239 239 THR . 26805 1 240 240 ASP . 26805 1 241 241 ARG . 26805 1 242 242 VAL . 26805 1 243 243 LYS . 26805 1 244 244 VAL . 26805 1 245 245 TRP . 26805 1 246 246 THR . 26805 1 247 247 SER . 26805 1 248 248 GLY . 26805 1 249 249 GLN . 26805 1 250 250 VAL . 26805 1 251 251 GLU . 26805 1 252 252 GLU . 26805 1 253 253 TYR . 26805 1 254 254 ASP . 26805 1 255 255 LEU . 26805 1 256 256 ASP . 26805 1 257 257 ALA . 26805 1 258 258 ASP . 26805 1 259 259 ASP . 26805 1 260 260 ILE . 26805 1 261 261 ASN . 26805 1 262 262 SER . 26805 1 263 263 ARG . 26805 1 264 264 VAL . 26805 1 265 265 GLU . 26805 1 266 266 MET . 26805 1 267 267 LYS . 26805 1 268 268 PRO . 26805 1 269 269 LYS . 26805 1 270 270 ALA . 26805 1 271 271 LEU . 26805 1 272 272 GLU . 26805 1 273 273 GLN . 26805 1 274 274 LYS . 26805 1 275 275 LEU . 26805 1 276 276 ILE . 26805 1 277 277 SER . 26805 1 278 278 GLU . 26805 1 279 279 GLU . 26805 1 280 280 ASP . 26805 1 281 281 LEU . 26805 1 282 282 ASN . 26805 1 283 283 SER . 26805 1 284 284 ALA . 26805 1 285 285 VAL . 26805 1 286 286 ASP . 26805 1 287 287 HIS . 26805 1 288 288 HIS . 26805 1 289 289 HIS . 26805 1 290 290 HIS . 26805 1 291 291 HIS . 26805 1 292 292 HIS . 26805 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26805 1 . ALA 2 2 26805 1 . SER 3 3 26805 1 . GLU 4 4 26805 1 . PHE 5 5 26805 1 . LYS 6 6 26805 1 . LYS 7 7 26805 1 . LYS 8 8 26805 1 . LEU 9 9 26805 1 . PHE 10 10 26805 1 . TRP 11 11 26805 1 . ARG 12 12 26805 1 . ALA 13 13 26805 1 . VAL 14 14 26805 1 . VAL 15 15 26805 1 . ALA 16 16 26805 1 . GLU 17 17 26805 1 . PHE 18 18 26805 1 . LEU 19 19 26805 1 . ALA 20 20 26805 1 . THR 21 21 26805 1 . THR 22 22 26805 1 . LEU 23 23 26805 1 . PHE 24 24 26805 1 . VAL 25 25 26805 1 . PHE 26 26 26805 1 . ILE 27 27 26805 1 . SER 28 28 26805 1 . ILE 29 29 26805 1 . GLY 30 30 26805 1 . SER 31 31 26805 1 . ALA 32 32 26805 1 . LEU 33 33 26805 1 . GLY 34 34 26805 1 . PHE 35 35 26805 1 . LYS 36 36 26805 1 . TYR 37 37 26805 1 . PRO 38 38 26805 1 . VAL 39 39 26805 1 . GLY 40 40 26805 1 . ASN 41 41 26805 1 . ASN 42 42 26805 1 . GLN 43 43 26805 1 . THR 44 44 26805 1 . ALA 45 45 26805 1 . VAL 46 46 26805 1 . GLN 47 47 26805 1 . ASP 48 48 26805 1 . ASN 49 49 26805 1 . VAL 50 50 26805 1 . LYS 51 51 26805 1 . VAL 52 52 26805 1 . SER 53 53 26805 1 . LEU 54 54 26805 1 . ALA 55 55 26805 1 . PHE 56 56 26805 1 . GLY 57 57 26805 1 . LEU 58 58 26805 1 . SER 59 59 26805 1 . ILE 60 60 26805 1 . ALA 61 61 26805 1 . THR 62 62 26805 1 . LEU 63 63 26805 1 . ALA 64 64 26805 1 . GLN 65 65 26805 1 . SER 66 66 26805 1 . VAL 67 67 26805 1 . GLY 68 68 26805 1 . HIS 69 69 26805 1 . ILE 70 70 26805 1 . SER 71 71 26805 1 . GLY 72 72 26805 1 . ALA 73 73 26805 1 . HIS 74 74 26805 1 . LEU 75 75 26805 1 . ASN 76 76 26805 1 . PRO 77 77 26805 1 . ALA 78 78 26805 1 . VAL 79 79 26805 1 . THR 80 80 26805 1 . LEU 81 81 26805 1 . GLY 82 82 26805 1 . LEU 83 83 26805 1 . LEU 84 84 26805 1 . LEU 85 85 26805 1 . SER 86 86 26805 1 . CYS 87 87 26805 1 . GLN 88 88 26805 1 . ILE 89 89 26805 1 . SER 90 90 26805 1 . ILE 91 91 26805 1 . PHE 92 92 26805 1 . ARG 93 93 26805 1 . ALA 94 94 26805 1 . LEU 95 95 26805 1 . MET 96 96 26805 1 . TYR 97 97 26805 1 . ILE 98 98 26805 1 . ILE 99 99 26805 1 . ALA 100 100 26805 1 . GLN 101 101 26805 1 . CYS 102 102 26805 1 . VAL 103 103 26805 1 . GLY 104 104 26805 1 . ALA 105 105 26805 1 . ILE 106 106 26805 1 . VAL 107 107 26805 1 . ALA 108 108 26805 1 . THR 109 109 26805 1 . ALA 110 110 26805 1 . ILE 111 111 26805 1 . LEU 112 112 26805 1 . SER 113 113 26805 1 . GLY 114 114 26805 1 . ILE 115 115 26805 1 . THR 116 116 26805 1 . SER 117 117 26805 1 . SER 118 118 26805 1 . LEU 119 119 26805 1 . THR 120 120 26805 1 . GLY 121 121 26805 1 . ASN 122 122 26805 1 . SER 123 123 26805 1 . LEU 124 124 26805 1 . GLY 125 125 26805 1 . ARG 126 126 26805 1 . ASN 127 127 26805 1 . ASP 128 128 26805 1 . LEU 129 129 26805 1 . ALA 130 130 26805 1 . ASP 131 131 26805 1 . GLY 132 132 26805 1 . VAL 133 133 26805 1 . ASN 134 134 26805 1 . SER 135 135 26805 1 . GLY 136 136 26805 1 . GLN 137 137 26805 1 . GLY 138 138 26805 1 . LEU 139 139 26805 1 . GLY 140 140 26805 1 . ILE 141 141 26805 1 . GLU 142 142 26805 1 . ILE 143 143 26805 1 . ILE 144 144 26805 1 . GLY 145 145 26805 1 . THR 146 146 26805 1 . LEU 147 147 26805 1 . GLN 148 148 26805 1 . LEU 149 149 26805 1 . VAL 150 150 26805 1 . LEU 151 151 26805 1 . CYS 152 152 26805 1 . VAL 153 153 26805 1 . LEU 154 154 26805 1 . ALA 155 155 26805 1 . THR 156 156 26805 1 . THR 157 157 26805 1 . ASP 158 158 26805 1 . ARG 159 159 26805 1 . ARG 160 160 26805 1 . ARG 161 161 26805 1 . ARG 162 162 26805 1 . ASP 163 163 26805 1 . LEU 164 164 26805 1 . GLY 165 165 26805 1 . GLY 166 166 26805 1 . SER 167 167 26805 1 . ALA 168 168 26805 1 . PRO 169 169 26805 1 . LEU 170 170 26805 1 . ALA 171 171 26805 1 . ILE 172 172 26805 1 . GLY 173 173 26805 1 . LEU 174 174 26805 1 . SER 175 175 26805 1 . VAL 176 176 26805 1 . ALA 177 177 26805 1 . LEU 178 178 26805 1 . GLY 179 179 26805 1 . HIS 180 180 26805 1 . LEU 181 181 26805 1 . LEU 182 182 26805 1 . ALA 183 183 26805 1 . ILE 184 184 26805 1 . ASP 185 185 26805 1 . TYR 186 186 26805 1 . THR 187 187 26805 1 . GLY 188 188 26805 1 . CYS 189 189 26805 1 . GLY 190 190 26805 1 . ILE 191 191 26805 1 . ASN 192 192 26805 1 . PRO 193 193 26805 1 . ALA 194 194 26805 1 . ARG 195 195 26805 1 . SER 196 196 26805 1 . PHE 197 197 26805 1 . GLY 198 198 26805 1 . SER 199 199 26805 1 . ALA 200 200 26805 1 . VAL 201 201 26805 1 . ILE 202 202 26805 1 . THR 203 203 26805 1 . HIS 204 204 26805 1 . ASN 205 205 26805 1 . PHE 206 206 26805 1 . SER 207 207 26805 1 . ASN 208 208 26805 1 . HIS 209 209 26805 1 . TRP 210 210 26805 1 . ILE 211 211 26805 1 . PHE 212 212 26805 1 . TRP 213 213 26805 1 . VAL 214 214 26805 1 . GLY 215 215 26805 1 . PRO 216 216 26805 1 . PHE 217 217 26805 1 . ILE 218 218 26805 1 . GLY 219 219 26805 1 . GLY 220 220 26805 1 . ALA 221 221 26805 1 . LEU 222 222 26805 1 . ALA 223 223 26805 1 . VAL 224 224 26805 1 . LEU 225 225 26805 1 . ILE 226 226 26805 1 . TYR 227 227 26805 1 . ASP 228 228 26805 1 . PHE 229 229 26805 1 . ILE 230 230 26805 1 . LEU 231 231 26805 1 . ALA 232 232 26805 1 . PRO 233 233 26805 1 . ARG 234 234 26805 1 . SER 235 235 26805 1 . SER 236 236 26805 1 . ASP 237 237 26805 1 . LEU 238 238 26805 1 . THR 239 239 26805 1 . ASP 240 240 26805 1 . ARG 241 241 26805 1 . VAL 242 242 26805 1 . LYS 243 243 26805 1 . VAL 244 244 26805 1 . TRP 245 245 26805 1 . THR 246 246 26805 1 . SER 247 247 26805 1 . GLY 248 248 26805 1 . GLN 249 249 26805 1 . VAL 250 250 26805 1 . GLU 251 251 26805 1 . GLU 252 252 26805 1 . TYR 253 253 26805 1 . ASP 254 254 26805 1 . LEU 255 255 26805 1 . ASP 256 256 26805 1 . ALA 257 257 26805 1 . ASP 258 258 26805 1 . ASP 259 259 26805 1 . ILE 260 260 26805 1 . ASN 261 261 26805 1 . SER 262 262 26805 1 . ARG 263 263 26805 1 . VAL 264 264 26805 1 . GLU 265 265 26805 1 . MET 266 266 26805 1 . LYS 267 267 26805 1 . PRO 268 268 26805 1 . LYS 269 269 26805 1 . ALA 270 270 26805 1 . LEU 271 271 26805 1 . GLU 272 272 26805 1 . GLN 273 273 26805 1 . LYS 274 274 26805 1 . LEU 275 275 26805 1 . ILE 276 276 26805 1 . SER 277 277 26805 1 . GLU 278 278 26805 1 . GLU 279 279 26805 1 . ASP 280 280 26805 1 . LEU 281 281 26805 1 . ASN 282 282 26805 1 . SER 283 283 26805 1 . ALA 284 284 26805 1 . VAL 285 285 26805 1 . ASP 286 286 26805 1 . HIS 287 287 26805 1 . HIS 288 288 26805 1 . HIS 289 289 26805 1 . HIS 290 290 26805 1 . HIS 291 291 26805 1 . HIS 292 292 26805 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26805 _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 $human_aquaporin_1 . 9606 organism . 'Homo sapiens' humans . . Eukaryoata Metazoa Homo sapiens . . . . . . . . . . . . . 26805 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26805 _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 $human_aquaporin_1 . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris . . . . . . pPICZaA . . . 26805 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26805 _Sample.ID 1 _Sample.Type liposome _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human aquaporin 1' '[U-100% 13C; U-100% 15N]' . . 1 $human_aquaporin_1 . . 1:1 . . '% w/w' . . . . 26805 1 2 'Egg PC/Brain PS' 'natural abundance' . . . . . . 1:1 . . '% w/w' . . . . 26805 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26805 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26805 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 26805 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 26805 1 pH 7.0 . pH 26805 1 pressure 1 . atm 26805 1 temperature 278 . K 26805 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26805 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26805 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26805 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26805 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26805 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26805 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26805 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26805 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26805 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26805 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26805 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 800 . . . 26805 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26805 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D NCACX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26805 1 2 '3D NCOCX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26805 1 3 '3D CANCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26805 1 4 '2D NCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26805 1 5 '2D NCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26805 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26805 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 . . . . . 26805 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26805 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26805 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . 26805 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26805 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D NCACX' . . . 26805 1 2 '3D NCOCX' . . . 26805 1 3 '3D CANCO' . . . 26805 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 13 13 ALA C C 13 178.901 0.000 . . . . . . 13 a C . 26805 1 2 . 1 1 13 13 ALA CA C 13 55.416 0.000 . . . . . . 13 a CA . 26805 1 3 . 1 1 13 13 ALA CB C 13 18.255 0.000 . . . . . . 13 a CB . 26805 1 4 . 1 1 13 13 ALA N N 15 121.227 0.000 . . . . . . 13 a N . 26805 1 5 . 1 1 14 14 VAL C C 13 178.453 0.000 . . . . . . 14 v C . 26805 1 6 . 1 1 14 14 VAL CA C 13 67.240 0.000 . . . . . . 14 v CA . 26805 1 7 . 1 1 14 14 VAL CB C 13 31.964 0.000 . . . . . . 14 v CB . 26805 1 8 . 1 1 14 14 VAL CG1 C 13 23.091 0.000 . . . . . . 14 v CG1 . 26805 1 9 . 1 1 14 14 VAL CG2 C 13 22.624 0.000 . . . . . . 14 v CG2 . 26805 1 10 . 1 1 14 14 VAL N N 15 118.486 0.000 . . . . . . 14 v N . 26805 1 11 . 1 1 15 15 VAL C C 13 178.100 0.000 . . . . . . 15 v C . 26805 1 12 . 1 1 15 15 VAL CA C 13 67.388 0.000 . . . . . . 15 v CA . 26805 1 13 . 1 1 15 15 VAL CB C 13 31.207 0.000 . . . . . . 15 v CB . 26805 1 14 . 1 1 15 15 VAL CG1 C 13 24.291 0.000 . . . . . . 15 v CG1 . 26805 1 15 . 1 1 15 15 VAL CG2 C 13 22.501 0.000 . . . . . . 15 v CG2 . 26805 1 16 . 1 1 15 15 VAL N N 15 119.127 0.000 . . . . . . 15 v N . 26805 1 17 . 1 1 16 16 ALA C C 13 179.536 0.000 . . . . . . 16 a C . 26805 1 18 . 1 1 16 16 ALA CA C 13 56.417 0.000 . . . . . . 16 a CA . 26805 1 19 . 1 1 16 16 ALA CB C 13 17.929 0.000 . . . . . . 16 a CB . 26805 1 20 . 1 1 16 16 ALA N N 15 124.251 0.000 . . . . . . 16 a N . 26805 1 21 . 1 1 17 17 GLU C C 13 180.661 0.000 . . . . . . 17 e C . 26805 1 22 . 1 1 17 17 GLU CA C 13 60.062 0.000 . . . . . . 17 e CA . 26805 1 23 . 1 1 17 17 GLU CB C 13 29.738 0.000 . . . . . . 17 e CB . 26805 1 24 . 1 1 17 17 GLU CG C 13 36.011 0.000 . . . . . . 17 e CG . 26805 1 25 . 1 1 17 17 GLU CD C 13 182.601 0.000 . . . . . . 17 e CD . 26805 1 26 . 1 1 17 17 GLU N N 15 117.452 0.000 . . . . . . 17 e N . 26805 1 27 . 1 1 18 18 PHE C C 13 177.949 0.000 . . . . . . 18 f C . 26805 1 28 . 1 1 18 18 PHE CA C 13 60.507 0.000 . . . . . . 18 f CA . 26805 1 29 . 1 1 18 18 PHE CB C 13 39.068 0.000 . . . . . . 18 f CB . 26805 1 30 . 1 1 18 18 PHE N N 15 121.555 0.000 . . . . . . 18 f N . 26805 1 31 . 1 1 19 19 LEU C C 13 178.546 0.000 . . . . . . 19 l C . 26805 1 32 . 1 1 19 19 LEU CA C 13 58.062 0.000 . . . . . . 19 l CA . 26805 1 33 . 1 1 19 19 LEU CB C 13 42.813 0.000 . . . . . . 19 l CB . 26805 1 34 . 1 1 19 19 LEU CG C 13 26.793 0.000 . . . . . . 19 l CG . 26805 1 35 . 1 1 19 19 LEU CD1 C 13 26.500 0.000 . . . . . . 19 l CD1 . 26805 1 36 . 1 1 19 19 LEU N N 15 122.565 0.000 . . . . . . 19 l N . 26805 1 37 . 1 1 20 20 ALA C C 13 179.496 0.000 . . . . . . 20 a C . 26805 1 38 . 1 1 20 20 ALA CA C 13 55.062 0.000 . . . . . . 20 a CA . 26805 1 39 . 1 1 20 20 ALA CB C 13 20.076 0.000 . . . . . . 20 a CB . 26805 1 40 . 1 1 20 20 ALA N N 15 118.783 0.000 . . . . . . 20 a N . 26805 1 41 . 1 1 21 21 THR C C 13 176.305 0.000 . . . . . . 21 t C . 26805 1 42 . 1 1 21 21 THR CA C 13 69.218 0.000 . . . . . . 21 t CA . 26805 1 43 . 1 1 21 21 THR CB C 13 67.724 0.000 . . . . . . 21 t CB . 26805 1 44 . 1 1 21 21 THR CG2 C 13 21.756 0.000 . . . . . . 21 t CG2 . 26805 1 45 . 1 1 21 21 THR N N 15 116.777 0.000 . . . . . . 21 t N . 26805 1 46 . 1 1 22 22 THR C C 13 176.666 0.000 . . . . . . 22 t C . 26805 1 47 . 1 1 22 22 THR CA C 13 66.911 0.000 . . . . . . 22 t CA . 26805 1 48 . 1 1 22 22 THR CB C 13 67.625 0.000 . . . . . . 22 t CB . 26805 1 49 . 1 1 22 22 THR CG2 C 13 20.652 0.000 . . . . . . 22 t CG2 . 26805 1 50 . 1 1 22 22 THR N N 15 118.572 0.000 . . . . . . 22 t N . 26805 1 51 . 1 1 23 23 LEU C C 13 177.351 0.000 . . . . . . 23 l C . 26805 1 52 . 1 1 23 23 LEU CA C 13 58.690 0.000 . . . . . . 23 l CA . 26805 1 53 . 1 1 23 23 LEU CB C 13 42.254 0.000 . . . . . . 23 l CB . 26805 1 54 . 1 1 23 23 LEU CG C 13 27.327 0.000 . . . . . . 23 l CG . 26805 1 55 . 1 1 23 23 LEU CD1 C 13 25.369 0.000 . . . . . . 23 l CD1 . 26805 1 56 . 1 1 23 23 LEU CD2 C 13 23.884 0.000 . . . . . . 23 l CD2 . 26805 1 57 . 1 1 23 23 LEU N N 15 118.786 0.000 . . . . . . 23 l N . 26805 1 58 . 1 1 24 24 PHE C C 13 176.919 0.000 . . . . . . 24 f C . 26805 1 59 . 1 1 24 24 PHE CA C 13 59.869 0.000 . . . . . . 24 f CA . 26805 1 60 . 1 1 24 24 PHE CB C 13 38.564 0.000 . . . . . . 24 f CB . 26805 1 61 . 1 1 24 24 PHE CG C 13 137.887 0.000 . . . . . . 24 f CG . 26805 1 62 . 1 1 24 24 PHE N N 15 120.169 0.000 . . . . . . 24 f N . 26805 1 63 . 1 1 25 25 VAL C C 13 176.521 0.000 . . . . . . 25 v C . 26805 1 64 . 1 1 25 25 VAL CA C 13 67.684 0.000 . . . . . . 25 v CA . 26805 1 65 . 1 1 25 25 VAL CB C 13 31.040 0.000 . . . . . . 25 v CB . 26805 1 66 . 1 1 25 25 VAL CG1 C 13 24.257 0.000 . . . . . . 25 v CG1 . 26805 1 67 . 1 1 25 25 VAL CG2 C 13 23.355 0.000 . . . . . . 25 v CG2 . 26805 1 68 . 1 1 25 25 VAL N N 15 121.680 0.000 . . . . . . 25 v N . 26805 1 69 . 1 1 26 26 PHE C C 13 177.018 0.000 . . . . . . 26 f C . 26805 1 70 . 1 1 26 26 PHE CA C 13 62.209 0.000 . . . . . . 26 f CA . 26805 1 71 . 1 1 26 26 PHE CB C 13 39.976 0.000 . . . . . . 26 f CB . 26805 1 72 . 1 1 26 26 PHE CG C 13 138.726 0.000 . . . . . . 26 f CG . 26805 1 73 . 1 1 26 26 PHE CD1 C 13 132.014 0.000 . . . . . . 26 f CD1 . 26805 1 74 . 1 1 26 26 PHE N N 15 117.915 0.000 . . . . . . 26 f N . 26805 1 75 . 1 1 27 27 ILE C C 13 177.551 0.000 . . . . . . 27 i C . 26805 1 76 . 1 1 27 27 ILE CA C 13 64.540 0.000 . . . . . . 27 i CA . 26805 1 77 . 1 1 27 27 ILE CB C 13 38.749 0.000 . . . . . . 27 i CB . 26805 1 78 . 1 1 27 27 ILE CG1 C 13 30.733 0.000 . . . . . . 27 i CG1 . 26805 1 79 . 1 1 27 27 ILE CG2 C 13 18.402 0.000 . . . . . . 27 i CG2 . 26805 1 80 . 1 1 27 27 ILE CD1 C 13 14.157 0.000 . . . . . . 27 i CD1 . 26805 1 81 . 1 1 27 27 ILE N N 15 116.697 0.000 . . . . . . 27 i N . 26805 1 82 . 1 1 28 28 SER C C 13 176.151 0.000 . . . . . . 28 s C . 26805 1 83 . 1 1 28 28 SER CA C 13 63.139 0.000 . . . . . . 28 s CA . 26805 1 84 . 1 1 28 28 SER N N 15 114.409 0.000 . . . . . . 28 s N . 26805 1 85 . 1 1 29 29 ILE C C 13 178.380 0.000 . . . . . . 29 i C . 26805 1 86 . 1 1 29 29 ILE CA C 13 65.594 0.000 . . . . . . 29 i CA . 26805 1 87 . 1 1 29 29 ILE CB C 13 36.126 0.000 . . . . . . 29 i CB . 26805 1 88 . 1 1 29 29 ILE CG1 C 13 30.073 0.000 . . . . . . 29 i CG1 . 26805 1 89 . 1 1 29 29 ILE CG2 C 13 17.732 0.000 . . . . . . 29 i CG2 . 26805 1 90 . 1 1 29 29 ILE CD1 C 13 14.561 0.000 . . . . . . 29 i CD1 . 26805 1 91 . 1 1 29 29 ILE N N 15 119.777 0.000 . . . . . . 29 i N . 26805 1 92 . 1 1 30 30 GLY C C 13 177.598 0.000 . . . . . . 30 g C . 26805 1 93 . 1 1 30 30 GLY CA C 13 47.371 0.000 . . . . . . 30 g CA . 26805 1 94 . 1 1 30 30 GLY N N 15 108.642 0.000 . . . . . . 30 g N . 26805 1 95 . 1 1 31 31 SER C C 13 178.833 0.000 . . . . . . 31 s C . 26805 1 96 . 1 1 31 31 SER CA C 13 62.149 0.000 . . . . . . 31 s CA . 26805 1 97 . 1 1 31 31 SER CB C 13 64.393 0.000 . . . . . . 31 s CB . 26805 1 98 . 1 1 31 31 SER N N 15 116.161 0.000 . . . . . . 31 s N . 26805 1 99 . 1 1 32 32 ALA C C 13 179.933 0.000 . . . . . . 32 a C . 26805 1 100 . 1 1 32 32 ALA CA C 13 55.112 0.000 . . . . . . 32 a CA . 26805 1 101 . 1 1 32 32 ALA CB C 13 18.168 0.000 . . . . . . 32 a CB . 26805 1 102 . 1 1 32 32 ALA N N 15 121.882 0.000 . . . . . . 32 a N . 26805 1 103 . 1 1 33 33 LEU C C 13 178.123 0.000 . . . . . . 33 l C . 26805 1 104 . 1 1 33 33 LEU CA C 13 55.718 0.000 . . . . . . 33 l CA . 26805 1 105 . 1 1 33 33 LEU CB C 13 42.415 0.000 . . . . . . 33 l CB . 26805 1 106 . 1 1 33 33 LEU CG C 13 27.700 0.000 . . . . . . 33 l CG . 26805 1 107 . 1 1 33 33 LEU CD1 C 13 22.816 0.000 . . . . . . 33 l CD1 . 26805 1 108 . 1 1 33 33 LEU CD2 C 13 26.629 0.000 . . . . . . 33 l CD2 . 26805 1 109 . 1 1 33 33 LEU N N 15 117.041 0.000 . . . . . . 33 l N . 26805 1 110 . 1 1 34 34 GLY C C 13 175.080 0.000 . . . . . . 34 g C . 26805 1 111 . 1 1 34 34 GLY CA C 13 48.210 0.000 . . . . . . 34 g CA . 26805 1 112 . 1 1 34 34 GLY N N 15 104.873 0.000 . . . . . . 34 g N . 26805 1 113 . 1 1 35 35 PHE C C 13 175.730 0.000 . . . . . . 35 f C . 26805 1 114 . 1 1 35 35 PHE CA C 13 58.552 0.000 . . . . . . 35 f CA . 26805 1 115 . 1 1 35 35 PHE CB C 13 36.597 0.000 . . . . . . 35 f CB . 26805 1 116 . 1 1 35 35 PHE N N 15 113.986 0.000 . . . . . . 35 f N . 26805 1 117 . 1 1 36 36 LYS C C 13 174.314 0.000 . . . . . . 36 k C . 26805 1 118 . 1 1 36 36 LYS CA C 13 56.169 0.000 . . . . . . 36 k CA . 26805 1 119 . 1 1 36 36 LYS CB C 13 32.489 0.000 . . . . . . 36 k CB . 26805 1 120 . 1 1 36 36 LYS CG C 13 24.599 0.000 . . . . . . 36 k CG . 26805 1 121 . 1 1 36 36 LYS N N 15 119.686 0.000 . . . . . . 36 k N . 26805 1 122 . 1 1 37 37 TYR C C 13 174.915 0.000 . . . . . . 37 y C . 26805 1 123 . 1 1 37 37 TYR CA C 13 56.905 0.000 . . . . . . 37 y CA . 26805 1 124 . 1 1 37 37 TYR CB C 13 38.992 0.000 . . . . . . 37 y CB . 26805 1 125 . 1 1 37 37 TYR N N 15 118.499 0.000 . . . . . . 37 y N . 26805 1 126 . 1 1 38 38 PRO C C 13 177.000 0.000 . . . . . . 38 p C . 26805 1 127 . 1 1 38 38 PRO CA C 13 61.817 0.000 . . . . . . 38 p CA . 26805 1 128 . 1 1 38 38 PRO CB C 13 36.136 0.000 . . . . . . 38 p CB . 26805 1 129 . 1 1 38 38 PRO CG C 13 25.252 0.000 . . . . . . 38 p CG . 26805 1 130 . 1 1 38 38 PRO CD C 13 50.434 0.000 . . . . . . 38 p CD . 26805 1 131 . 1 1 38 38 PRO N N 15 134.514 0.000 . . . . . . 38 p N . 26805 1 132 . 1 1 39 39 VAL C C 13 177.698 0.000 . . . . . . 39 v C . 26805 1 133 . 1 1 39 39 VAL CA C 13 63.951 0.000 . . . . . . 39 v CA . 26805 1 134 . 1 1 39 39 VAL CB C 13 31.843 0.000 . . . . . . 39 v CB . 26805 1 135 . 1 1 39 39 VAL CG2 C 13 21.748 0.000 . . . . . . 39 v CG2 . 26805 1 136 . 1 1 39 39 VAL N N 15 120.836 0.000 . . . . . . 39 v N . 26805 1 137 . 1 1 44 44 THR C C 13 174.647 0.000 . . . . . . 44 t C . 26805 1 138 . 1 1 44 44 THR CA C 13 62.612 0.000 . . . . . . 44 t CA . 26805 1 139 . 1 1 44 44 THR CB C 13 70.711 0.000 . . . . . . 44 t CB . 26805 1 140 . 1 1 44 44 THR CG2 C 13 22.590 0.000 . . . . . . 44 t CG2 . 26805 1 141 . 1 1 44 44 THR N N 15 106.373 0.000 . . . . . . 44 t N . 26805 1 142 . 1 1 45 45 ALA C C 13 177.397 0.000 . . . . . . 45 a C . 26805 1 143 . 1 1 45 45 ALA CA C 13 52.555 0.000 . . . . . . 45 a CA . 26805 1 144 . 1 1 45 45 ALA CB C 13 20.490 0.000 . . . . . . 45 a CB . 26805 1 145 . 1 1 45 45 ALA N N 15 128.163 0.000 . . . . . . 45 a N . 26805 1 146 . 1 1 46 46 VAL C C 13 174.660 0.000 . . . . . . 46 v C . 26805 1 147 . 1 1 46 46 VAL CA C 13 60.326 0.000 . . . . . . 46 v CA . 26805 1 148 . 1 1 46 46 VAL CB C 13 34.900 0.000 . . . . . . 46 v CB . 26805 1 149 . 1 1 46 46 VAL CG1 C 13 21.554 0.000 . . . . . . 46 v CG1 . 26805 1 150 . 1 1 46 46 VAL CG2 C 13 19.766 0.000 . . . . . . 46 v CG2 . 26805 1 151 . 1 1 46 46 VAL N N 15 118.568 0.000 . . . . . . 46 v N . 26805 1 152 . 1 1 47 47 GLN C C 13 175.051 0.000 . . . . . . 47 q C . 26805 1 153 . 1 1 47 47 GLN CA C 13 54.964 0.000 . . . . . . 47 q CA . 26805 1 154 . 1 1 47 47 GLN CB C 13 30.330 0.000 . . . . . . 47 q CB . 26805 1 155 . 1 1 47 47 GLN CG C 13 32.237 0.000 . . . . . . 47 q CG . 26805 1 156 . 1 1 47 47 GLN CD C 13 180.123 0.000 . . . . . . 47 q CD . 26805 1 157 . 1 1 47 47 GLN N N 15 125.657 0.000 . . . . . . 47 q N . 26805 1 158 . 1 1 48 48 ASP C C 13 176.029 0.000 . . . . . . 48 d C . 26805 1 159 . 1 1 48 48 ASP CA C 13 52.013 0.000 . . . . . . 48 d CA . 26805 1 160 . 1 1 48 48 ASP CB C 13 42.846 0.000 . . . . . . 48 d CB . 26805 1 161 . 1 1 48 48 ASP CG C 13 180.628 0.000 . . . . . . 48 d CG . 26805 1 162 . 1 1 48 48 ASP N N 15 127.223 0.000 . . . . . . 48 d N . 26805 1 163 . 1 1 49 49 ASN C C 13 179.871 0.000 . . . . . . 49 n C . 26805 1 164 . 1 1 49 49 ASN CA C 13 57.223 0.000 . . . . . . 49 n CA . 26805 1 165 . 1 1 49 49 ASN CB C 13 36.706 0.000 . . . . . . 49 n CB . 26805 1 166 . 1 1 49 49 ASN CG C 13 175.006 0.000 . . . . . . 49 n CG . 26805 1 167 . 1 1 49 49 ASN N N 15 124.137 0.000 . . . . . . 49 n N . 26805 1 168 . 1 1 49 49 ASN ND2 N 15 110.110 0.000 . . . . . . 49 n ND2 . 26805 1 169 . 1 1 50 50 VAL C C 13 176.144 0.000 . . . . . . 50 v C . 26805 1 170 . 1 1 50 50 VAL CA C 13 67.636 0.000 . . . . . . 50 v CA . 26805 1 171 . 1 1 50 50 VAL CB C 13 31.027 0.000 . . . . . . 50 v CB . 26805 1 172 . 1 1 50 50 VAL CG1 C 13 23.658 0.000 . . . . . . 50 v CG1 . 26805 1 173 . 1 1 50 50 VAL CG2 C 13 21.481 0.000 . . . . . . 50 v CG2 . 26805 1 174 . 1 1 50 50 VAL N N 15 122.912 0.000 . . . . . . 50 v N . 26805 1 175 . 1 1 51 51 LYS C C 13 177.057 0.000 . . . . . . 51 k C . 26805 1 176 . 1 1 51 51 LYS CA C 13 58.932 0.000 . . . . . . 51 k CA . 26805 1 177 . 1 1 51 51 LYS CB C 13 34.411 0.000 . . . . . . 51 k CB . 26805 1 178 . 1 1 51 51 LYS CG C 13 23.232 0.000 . . . . . . 51 k CG . 26805 1 179 . 1 1 51 51 LYS CD C 13 34.411 0.000 . . . . . . 51 k CD . 26805 1 180 . 1 1 51 51 LYS CE C 13 41.338 0.000 . . . . . . 51 k CE . 26805 1 181 . 1 1 51 51 LYS N N 15 122.954 0.000 . . . . . . 51 k N . 26805 1 182 . 1 1 51 51 LYS NZ N 15 33.000 0.000 . . . . . . 51 k NZ . 26805 1 183 . 1 1 52 52 VAL C C 13 178.203 0.000 . . . . . . 52 v C . 26805 1 184 . 1 1 52 52 VAL CA C 13 67.218 0.000 . . . . . . 52 v CA . 26805 1 185 . 1 1 52 52 VAL CB C 13 32.431 0.000 . . . . . . 52 v CB . 26805 1 186 . 1 1 52 52 VAL CG1 C 13 23.620 0.000 . . . . . . 52 v CG1 . 26805 1 187 . 1 1 52 52 VAL CG2 C 13 23.281 0.000 . . . . . . 52 v CG2 . 26805 1 188 . 1 1 52 52 VAL N N 15 114.406 0.000 . . . . . . 52 v N . 26805 1 189 . 1 1 53 53 SER C C 13 176.949 0.000 . . . . . . 53 s C . 26805 1 190 . 1 1 53 53 SER CA C 13 64.001 0.000 . . . . . . 53 s CA . 26805 1 191 . 1 1 53 53 SER CB C 13 62.385 0.000 . . . . . . 53 s CB . 26805 1 192 . 1 1 53 53 SER N N 15 115.927 0.000 . . . . . . 53 s N . 26805 1 193 . 1 1 54 54 LEU C C 13 178.092 0.000 . . . . . . 54 l C . 26805 1 194 . 1 1 54 54 LEU CA C 13 57.103 0.000 . . . . . . 54 l CA . 26805 1 195 . 1 1 54 54 LEU CB C 13 41.850 0.000 . . . . . . 54 l CB . 26805 1 196 . 1 1 54 54 LEU CG C 13 26.348 0.000 . . . . . . 54 l CG . 26805 1 197 . 1 1 54 54 LEU CD1 C 13 19.821 0.000 . . . . . . 54 l CD1 . 26805 1 198 . 1 1 54 54 LEU CD2 C 13 25.405 0.000 . . . . . . 54 l CD2 . 26805 1 199 . 1 1 54 54 LEU N N 15 117.904 0.000 . . . . . . 54 l N . 26805 1 200 . 1 1 55 55 ALA C C 13 180.538 0.000 . . . . . . 55 a C . 26805 1 201 . 1 1 55 55 ALA CA C 13 55.897 0.000 . . . . . . 55 a CA . 26805 1 202 . 1 1 55 55 ALA CB C 13 17.850 0.000 . . . . . . 55 a CB . 26805 1 203 . 1 1 55 55 ALA N N 15 126.035 0.000 . . . . . . 55 a N . 26805 1 204 . 1 1 56 56 PHE C C 13 179.307 0.000 . . . . . . 56 f C . 26805 1 205 . 1 1 56 56 PHE CA C 13 61.659 0.000 . . . . . . 56 f CA . 26805 1 206 . 1 1 56 56 PHE CB C 13 39.020 0.000 . . . . . . 56 f CB . 26805 1 207 . 1 1 56 56 PHE N N 15 116.718 0.000 . . . . . . 56 f N . 26805 1 208 . 1 1 57 57 GLY C C 13 176.098 0.000 . . . . . . 57 g C . 26805 1 209 . 1 1 57 57 GLY CA C 13 48.795 0.000 . . . . . . 57 g CA . 26805 1 210 . 1 1 57 57 GLY N N 15 103.667 0.000 . . . . . . 57 g N . 26805 1 211 . 1 1 58 58 LEU C C 13 181.627 0.000 . . . . . . 58 l C . 26805 1 212 . 1 1 58 58 LEU CA C 13 57.105 0.000 . . . . . . 58 l CA . 26805 1 213 . 1 1 58 58 LEU CB C 13 40.233 0.000 . . . . . . 58 l CB . 26805 1 214 . 1 1 58 58 LEU CG C 13 27.700 0.000 . . . . . . 58 l CG . 26805 1 215 . 1 1 58 58 LEU CD1 C 13 24.466 0.000 . . . . . . 58 l CD1 . 26805 1 216 . 1 1 58 58 LEU CD2 C 13 21.838 0.000 . . . . . . 58 l CD2 . 26805 1 217 . 1 1 58 58 LEU N N 15 118.618 0.000 . . . . . . 58 l N . 26805 1 218 . 1 1 59 59 SER C C 13 176.105 0.000 . . . . . . 59 s C . 26805 1 219 . 1 1 59 59 SER CA C 13 64.013 0.000 . . . . . . 59 s CA . 26805 1 220 . 1 1 59 59 SER N N 15 123.068 0.000 . . . . . . 59 s N . 26805 1 221 . 1 1 60 60 ILE C C 13 177.842 0.000 . . . . . . 60 i C . 26805 1 222 . 1 1 60 60 ILE CA C 13 61.931 0.000 . . . . . . 60 i CA . 26805 1 223 . 1 1 60 60 ILE CB C 13 34.573 0.000 . . . . . . 60 i CB . 26805 1 224 . 1 1 60 60 ILE CG1 C 13 26.892 0.000 . . . . . . 60 i CG1 . 26805 1 225 . 1 1 60 60 ILE CG2 C 13 16.553 0.000 . . . . . . 60 i CG2 . 26805 1 226 . 1 1 60 60 ILE CD1 C 13 7.836 0.000 . . . . . . 60 i CD1 . 26805 1 227 . 1 1 60 60 ILE N N 15 123.292 0.000 . . . . . . 60 i N . 26805 1 228 . 1 1 61 61 ALA C C 13 181.250 0.000 . . . . . . 61 a C . 26805 1 229 . 1 1 61 61 ALA CA C 13 55.161 0.000 . . . . . . 61 a CA . 26805 1 230 . 1 1 61 61 ALA CB C 13 18.724 0.000 . . . . . . 61 a CB . 26805 1 231 . 1 1 61 61 ALA N N 15 120.519 0.000 . . . . . . 61 a N . 26805 1 232 . 1 1 62 62 THR C C 13 177.593 0.000 . . . . . . 62 t C . 26805 1 233 . 1 1 62 62 THR CA C 13 66.919 0.000 . . . . . . 62 t CA . 26805 1 234 . 1 1 62 62 THR CB C 13 69.745 0.000 . . . . . . 62 t CB . 26805 1 235 . 1 1 62 62 THR CG2 C 13 20.019 0.000 . . . . . . 62 t CG2 . 26805 1 236 . 1 1 62 62 THR N N 15 116.448 0.000 . . . . . . 62 t N . 26805 1 237 . 1 1 63 63 LEU C C 13 179.399 0.000 . . . . . . 63 l C . 26805 1 238 . 1 1 63 63 LEU CA C 13 57.254 0.000 . . . . . . 63 l CA . 26805 1 239 . 1 1 63 63 LEU CB C 13 40.566 0.000 . . . . . . 63 l CB . 26805 1 240 . 1 1 63 63 LEU CG C 13 28.167 0.000 . . . . . . 63 l CG . 26805 1 241 . 1 1 63 63 LEU CD1 C 13 22.366 0.000 . . . . . . 63 l CD1 . 26805 1 242 . 1 1 63 63 LEU CD2 C 13 25.360 0.000 . . . . . . 63 l CD2 . 26805 1 243 . 1 1 63 63 LEU N N 15 126.057 0.000 . . . . . . 63 l N . 26805 1 244 . 1 1 64 64 ALA C C 13 181.770 0.000 . . . . . . 64 a C . 26805 1 245 . 1 1 64 64 ALA CA C 13 55.279 0.000 . . . . . . 64 a CA . 26805 1 246 . 1 1 64 64 ALA CB C 13 16.785 0.000 . . . . . . 64 a CB . 26805 1 247 . 1 1 64 64 ALA N N 15 123.644 0.000 . . . . . . 64 a N . 26805 1 248 . 1 1 65 65 GLN C C 13 176.801 0.000 . . . . . . 65 q C . 26805 1 249 . 1 1 65 65 GLN CA C 13 59.451 0.000 . . . . . . 65 q CA . 26805 1 250 . 1 1 65 65 GLN CB C 13 26.692 0.000 . . . . . . 65 q CB . 26805 1 251 . 1 1 65 65 GLN CG C 13 30.660 0.000 . . . . . . 65 q CG . 26805 1 252 . 1 1 65 65 GLN CD C 13 179.190 0.000 . . . . . . 65 q CD . 26805 1 253 . 1 1 65 65 GLN N N 15 121.277 0.000 . . . . . . 65 q N . 26805 1 254 . 1 1 66 66 SER C C 13 173.727 0.000 . . . . . . 66 s C . 26805 1 255 . 1 1 66 66 SER CA C 13 61.991 0.000 . . . . . . 66 s CA . 26805 1 256 . 1 1 66 66 SER CB C 13 63.678 0.000 . . . . . . 66 s CB . 26805 1 257 . 1 1 66 66 SER N N 15 111.804 0.000 . . . . . . 66 s N . 26805 1 258 . 1 1 67 67 VAL C C 13 179.290 0.000 . . . . . . 67 v C . 26805 1 259 . 1 1 67 67 VAL CA C 13 59.621 0.000 . . . . . . 67 v CA . 26805 1 260 . 1 1 67 67 VAL CB C 13 33.546 0.000 . . . . . . 67 v CB . 26805 1 261 . 1 1 67 67 VAL CG1 C 13 17.575 0.000 . . . . . . 67 v CG1 . 26805 1 262 . 1 1 67 67 VAL CG2 C 13 20.152 0.000 . . . . . . 67 v CG2 . 26805 1 263 . 1 1 67 67 VAL N N 15 103.543 0.000 . . . . . . 67 v N . 26805 1 264 . 1 1 68 68 GLY C C 13 175.439 0.000 . . . . . . 68 g C . 26805 1 265 . 1 1 68 68 GLY CA C 13 48.984 0.000 . . . . . . 68 g CA . 26805 1 266 . 1 1 68 68 GLY N N 15 113.781 0.000 . . . . . . 68 g N . 26805 1 267 . 1 1 69 69 HIS C C 13 175.491 0.000 . . . . . . 69 h C . 26805 1 268 . 1 1 69 69 HIS CA C 13 57.900 0.000 . . . . . . 69 h CA . 26805 1 269 . 1 1 69 69 HIS CB C 13 28.693 0.000 . . . . . . 69 h CB . 26805 1 270 . 1 1 69 69 HIS CG C 13 131.818 0.000 . . . . . . 69 h CG . 26805 1 271 . 1 1 69 69 HIS CE1 C 13 138.711 0.000 . . . . . . 69 h CE1 . 26805 1 272 . 1 1 69 69 HIS N N 15 120.866 0.000 . . . . . . 69 h N . 26805 1 273 . 1 1 70 70 ILE C C 13 176.984 0.000 . . . . . . 70 i C . 26805 1 274 . 1 1 70 70 ILE CA C 13 61.556 0.000 . . . . . . 70 i CA . 26805 1 275 . 1 1 70 70 ILE CB C 13 37.932 0.000 . . . . . . 70 i CB . 26805 1 276 . 1 1 70 70 ILE CG1 C 13 26.628 0.000 . . . . . . 70 i CG1 . 26805 1 277 . 1 1 70 70 ILE CG2 C 13 17.967 0.000 . . . . . . 70 i CG2 . 26805 1 278 . 1 1 70 70 ILE N N 15 122.291 0.000 . . . . . . 70 i N . 26805 1 279 . 1 1 71 71 SER C C 13 176.511 0.000 . . . . . . 71 s C . 26805 1 280 . 1 1 71 71 SER CA C 13 57.977 0.000 . . . . . . 71 s CA . 26805 1 281 . 1 1 71 71 SER CB C 13 68.878 0.000 . . . . . . 71 s CB . 26805 1 282 . 1 1 71 71 SER N N 15 108.863 0.000 . . . . . . 71 s N . 26805 1 283 . 1 1 72 72 GLY C C 13 173.468 0.000 . . . . . . 72 g C . 26805 1 284 . 1 1 72 72 GLY CA C 13 45.458 0.000 . . . . . . 72 g CA . 26805 1 285 . 1 1 72 72 GLY N N 15 113.095 0.000 . . . . . . 72 g N . 26805 1 286 . 1 1 73 73 ALA C C 13 174.544 0.000 . . . . . . 73 a C . 26805 1 287 . 1 1 73 73 ALA CA C 13 51.474 0.000 . . . . . . 73 a CA . 26805 1 288 . 1 1 73 73 ALA CB C 13 18.273 0.000 . . . . . . 73 a CB . 26805 1 289 . 1 1 73 73 ALA N N 15 123.668 0.000 . . . . . . 73 a N . 26805 1 290 . 1 1 74 74 HIS C C 13 176.218 0.000 . . . . . . 74 h C . 26805 1 291 . 1 1 74 74 HIS CA C 13 58.618 0.000 . . . . . . 74 h CA . 26805 1 292 . 1 1 74 74 HIS CB C 13 31.578 0.000 . . . . . . 74 h CB . 26805 1 293 . 1 1 74 74 HIS CG C 13 135.444 0.000 . . . . . . 74 h CG . 26805 1 294 . 1 1 74 74 HIS CD2 C 13 114.674 0.000 . . . . . . 74 h CD2 . 26805 1 295 . 1 1 74 74 HIS CE1 C 13 139.641 0.000 . . . . . . 74 h CE1 . 26805 1 296 . 1 1 74 74 HIS N N 15 125.350 0.000 . . . . . . 74 h N . 26805 1 297 . 1 1 74 74 HIS ND1 N 15 166.156 0.000 . . . . . . 74 h ND1 . 26805 1 298 . 1 1 74 74 HIS NE2 N 15 161.098 0.000 . . . . . . 74 h NE2 . 26805 1 299 . 1 1 75 75 LEU C C 13 176.301 0.000 . . . . . . 75 l C . 26805 1 300 . 1 1 75 75 LEU CA C 13 55.994 0.000 . . . . . . 75 l CA . 26805 1 301 . 1 1 75 75 LEU CB C 13 37.948 0.000 . . . . . . 75 l CB . 26805 1 302 . 1 1 75 75 LEU CG C 13 28.027 0.000 . . . . . . 75 l CG . 26805 1 303 . 1 1 75 75 LEU CD1 C 13 25.366 0.000 . . . . . . 75 l CD1 . 26805 1 304 . 1 1 75 75 LEU N N 15 115.534 0.000 . . . . . . 75 l N . 26805 1 305 . 1 1 76 76 ASN C C 13 175.285 0.000 . . . . . . 76 n C . 26805 1 306 . 1 1 76 76 ASN CA C 13 51.746 0.000 . . . . . . 76 n CA . 26805 1 307 . 1 1 76 76 ASN CB C 13 40.671 0.000 . . . . . . 76 n CB . 26805 1 308 . 1 1 76 76 ASN CG C 13 177.956 0.000 . . . . . . 76 n CG . 26805 1 309 . 1 1 76 76 ASN N N 15 106.714 0.000 . . . . . . 76 n N . 26805 1 310 . 1 1 76 76 ASN ND2 N 15 115.740 0.000 . . . . . . 76 n ND2 . 26805 1 311 . 1 1 77 77 PRO C C 13 177.821 0.000 . . . . . . 77 p C . 26805 1 312 . 1 1 77 77 PRO CA C 13 65.149 0.000 . . . . . . 77 p CA . 26805 1 313 . 1 1 77 77 PRO CB C 13 33.980 0.000 . . . . . . 77 p CB . 26805 1 314 . 1 1 77 77 PRO CG C 13 26.924 0.000 . . . . . . 77 p CG . 26805 1 315 . 1 1 77 77 PRO CD C 13 52.895 0.000 . . . . . . 77 p CD . 26805 1 316 . 1 1 77 77 PRO N N 15 136.673 0.000 . . . . . . 77 p N . 26805 1 317 . 1 1 78 78 ALA C C 13 179.646 0.000 . . . . . . 78 a C . 26805 1 318 . 1 1 78 78 ALA CA C 13 54.946 0.000 . . . . . . 78 a CA . 26805 1 319 . 1 1 78 78 ALA CB C 13 18.879 0.000 . . . . . . 78 a CB . 26805 1 320 . 1 1 78 78 ALA N N 15 116.098 0.000 . . . . . . 78 a N . 26805 1 321 . 1 1 79 79 VAL C C 13 177.313 0.000 . . . . . . 79 v C . 26805 1 322 . 1 1 79 79 VAL CA C 13 66.726 0.000 . . . . . . 79 v CA . 26805 1 323 . 1 1 79 79 VAL CB C 13 32.552 0.000 . . . . . . 79 v CB . 26805 1 324 . 1 1 79 79 VAL CG1 C 13 22.673 0.000 . . . . . . 79 v CG1 . 26805 1 325 . 1 1 79 79 VAL CG2 C 13 21.355 0.000 . . . . . . 79 v CG2 . 26805 1 326 . 1 1 79 79 VAL N N 15 118.829 0.000 . . . . . . 79 v N . 26805 1 327 . 1 1 80 80 THR C C 13 176.372 0.000 . . . . . . 80 t C . 26805 1 328 . 1 1 80 80 THR CA C 13 67.735 0.000 . . . . . . 80 t CA . 26805 1 329 . 1 1 80 80 THR CB C 13 69.166 0.000 . . . . . . 80 t CB . 26805 1 330 . 1 1 80 80 THR CG2 C 13 25.282 0.000 . . . . . . 80 t CG2 . 26805 1 331 . 1 1 80 80 THR N N 15 117.744 0.000 . . . . . . 80 t N . 26805 1 332 . 1 1 81 81 LEU C C 13 178.499 0.000 . . . . . . 81 l C . 26805 1 333 . 1 1 81 81 LEU CA C 13 58.258 0.000 . . . . . . 81 l CA . 26805 1 334 . 1 1 81 81 LEU CB C 13 41.412 0.000 . . . . . . 81 l CB . 26805 1 335 . 1 1 81 81 LEU CG C 13 26.690 0.000 . . . . . . 81 l CG . 26805 1 336 . 1 1 81 81 LEU CD1 C 13 23.218 0.000 . . . . . . 81 l CD1 . 26805 1 337 . 1 1 81 81 LEU N N 15 119.528 0.000 . . . . . . 81 l N . 26805 1 338 . 1 1 82 82 GLY C C 13 179.175 0.000 . . . . . . 82 g C . 26805 1 339 . 1 1 82 82 GLY CA C 13 47.723 0.000 . . . . . . 82 g CA . 26805 1 340 . 1 1 82 82 GLY N N 15 108.603 0.000 . . . . . . 82 g N . 26805 1 341 . 1 1 93 93 ARG C C 13 177.269 0.000 . . . . . . 93 r C . 26805 1 342 . 1 1 93 93 ARG CA C 13 60.678 0.000 . . . . . . 93 r CA . 26805 1 343 . 1 1 93 93 ARG CB C 13 30.039 0.000 . . . . . . 93 r CB . 26805 1 344 . 1 1 93 93 ARG CG C 13 29.091 0.000 . . . . . . 93 r CG . 26805 1 345 . 1 1 93 93 ARG CD C 13 42.352 0.000 . . . . . . 93 r CD . 26805 1 346 . 1 1 93 93 ARG N N 15 118.143 0.000 . . . . . . 93 r N . 26805 1 347 . 1 1 94 94 ALA C C 13 179.024 0.000 . . . . . . 94 a C . 26805 1 348 . 1 1 94 94 ALA CA C 13 54.884 0.000 . . . . . . 94 a CA . 26805 1 349 . 1 1 94 94 ALA CB C 13 19.681 0.000 . . . . . . 94 a CB . 26805 1 350 . 1 1 94 94 ALA N N 15 118.545 0.000 . . . . . . 94 a N . 26805 1 351 . 1 1 95 95 LEU C C 13 178.305 0.000 . . . . . . 95 l C . 26805 1 352 . 1 1 95 95 LEU CA C 13 58.447 0.000 . . . . . . 95 l CA . 26805 1 353 . 1 1 95 95 LEU CB C 13 42.410 0.000 . . . . . . 95 l CB . 26805 1 354 . 1 1 95 95 LEU CG C 13 26.746 0.000 . . . . . . 95 l CG . 26805 1 355 . 1 1 95 95 LEU N N 15 116.081 0.000 . . . . . . 95 l N . 26805 1 356 . 1 1 96 96 MET C C 13 179.417 0.000 . . . . . . 96 m C . 26805 1 357 . 1 1 96 96 MET CA C 13 56.393 0.000 . . . . . . 96 m CA . 26805 1 358 . 1 1 96 96 MET CB C 13 32.079 0.000 . . . . . . 96 m CB . 26805 1 359 . 1 1 96 96 MET CG C 13 31.188 0.000 . . . . . . 96 m CG . 26805 1 360 . 1 1 96 96 MET N N 15 114.300 0.000 . . . . . . 96 m N . 26805 1 361 . 1 1 97 97 TYR C C 13 177.792 0.000 . . . . . . 97 y C . 26805 1 362 . 1 1 97 97 TYR CA C 13 60.752 0.000 . . . . . . 97 y CA . 26805 1 363 . 1 1 97 97 TYR N N 15 121.049 0.000 . . . . . . 97 y N . 26805 1 364 . 1 1 98 98 ILE C C 13 179.843 0.000 . . . . . . 98 i C . 26805 1 365 . 1 1 98 98 ILE CA C 13 65.993 0.000 . . . . . . 98 i CA . 26805 1 366 . 1 1 98 98 ILE CB C 13 38.212 0.000 . . . . . . 98 i CB . 26805 1 367 . 1 1 98 98 ILE CG1 C 13 30.230 0.000 . . . . . . 98 i CG1 . 26805 1 368 . 1 1 98 98 ILE CG2 C 13 16.996 0.000 . . . . . . 98 i CG2 . 26805 1 369 . 1 1 98 98 ILE CD1 C 13 13.053 0.000 . . . . . . 98 i CD1 . 26805 1 370 . 1 1 98 98 ILE N N 15 118.889 0.000 . . . . . . 98 i N . 26805 1 371 . 1 1 99 99 ILE C C 13 177.433 0.000 . . . . . . 99 i C . 26805 1 372 . 1 1 99 99 ILE CA C 13 67.087 0.000 . . . . . . 99 i CA . 26805 1 373 . 1 1 99 99 ILE CB C 13 38.425 0.000 . . . . . . 99 i CB . 26805 1 374 . 1 1 99 99 ILE CG1 C 13 29.916 0.000 . . . . . . 99 i CG1 . 26805 1 375 . 1 1 99 99 ILE CG2 C 13 17.689 0.000 . . . . . . 99 i CG2 . 26805 1 376 . 1 1 99 99 ILE CD1 C 13 14.055 0.000 . . . . . . 99 i CD1 . 26805 1 377 . 1 1 99 99 ILE N N 15 120.861 0.000 . . . . . . 99 i N . 26805 1 378 . 1 1 100 100 ALA C C 13 180.768 0.000 . . . . . . 100 a C . 26805 1 379 . 1 1 100 100 ALA CA C 13 56.518 0.000 . . . . . . 100 a CA . 26805 1 380 . 1 1 100 100 ALA CB C 13 19.817 0.000 . . . . . . 100 a CB . 26805 1 381 . 1 1 100 100 ALA N N 15 122.259 0.000 . . . . . . 100 a N . 26805 1 382 . 1 1 101 101 GLN C C 13 179.678 0.000 . . . . . . 101 q C . 26805 1 383 . 1 1 101 101 GLN CA C 13 58.508 0.000 . . . . . . 101 q CA . 26805 1 384 . 1 1 101 101 GLN CB C 13 27.601 0.000 . . . . . . 101 q CB . 26805 1 385 . 1 1 101 101 GLN CG C 13 32.208 0.000 . . . . . . 101 q CG . 26805 1 386 . 1 1 101 101 GLN CD C 13 177.297 0.000 . . . . . . 101 q CD . 26805 1 387 . 1 1 101 101 GLN N N 15 117.326 0.000 . . . . . . 101 q N . 26805 1 388 . 1 1 102 102 CYS C C 13 177.611 0.000 . . . . . . 102 c C . 26805 1 389 . 1 1 102 102 CYS CA C 13 66.111 0.000 . . . . . . 102 c CA . 26805 1 390 . 1 1 102 102 CYS CB C 13 28.175 0.000 . . . . . . 102 c CB . 26805 1 391 . 1 1 102 102 CYS N N 15 116.986 0.000 . . . . . . 102 c N . 26805 1 392 . 1 1 103 103 VAL C C 13 178.435 0.000 . . . . . . 103 v C . 26805 1 393 . 1 1 103 103 VAL CA C 13 67.639 0.000 . . . . . . 103 v CA . 26805 1 394 . 1 1 103 103 VAL CB C 13 31.543 0.000 . . . . . . 103 v CB . 26805 1 395 . 1 1 103 103 VAL CG1 C 13 24.242 0.000 . . . . . . 103 v CG1 . 26805 1 396 . 1 1 103 103 VAL CG2 C 13 22.639 0.000 . . . . . . 103 v CG2 . 26805 1 397 . 1 1 103 103 VAL N N 15 118.830 0.000 . . . . . . 103 v N . 26805 1 398 . 1 1 104 104 GLY C C 13 175.250 0.000 . . . . . . 104 g C . 26805 1 399 . 1 1 104 104 GLY CA C 13 48.315 0.000 . . . . . . 104 g CA . 26805 1 400 . 1 1 104 104 GLY N N 15 110.585 0.000 . . . . . . 104 g N . 26805 1 401 . 1 1 105 105 ALA C C 13 181.409 0.000 . . . . . . 105 a C . 26805 1 402 . 1 1 105 105 ALA CA C 13 55.978 0.000 . . . . . . 105 a CA . 26805 1 403 . 1 1 105 105 ALA CB C 13 19.772 0.000 . . . . . . 105 a CB . 26805 1 404 . 1 1 105 105 ALA N N 15 123.590 0.000 . . . . . . 105 a N . 26805 1 405 . 1 1 106 106 ILE C C 13 177.258 0.000 . . . . . . 106 i C . 26805 1 406 . 1 1 106 106 ILE CA C 13 66.756 0.000 . . . . . . 106 i CA . 26805 1 407 . 1 1 106 106 ILE CB C 13 38.778 0.000 . . . . . . 106 i CB . 26805 1 408 . 1 1 106 106 ILE CG1 C 13 29.803 0.000 . . . . . . 106 i CG1 . 26805 1 409 . 1 1 106 106 ILE CG2 C 13 17.814 0.000 . . . . . . 106 i CG2 . 26805 1 410 . 1 1 106 106 ILE CD1 C 13 15.268 0.000 . . . . . . 106 i CD1 . 26805 1 411 . 1 1 106 106 ILE N N 15 120.759 0.000 . . . . . . 106 i N . 26805 1 412 . 1 1 107 107 VAL C C 13 178.021 0.000 . . . . . . 107 v C . 26805 1 413 . 1 1 107 107 VAL CA C 13 67.770 0.000 . . . . . . 107 v CA . 26805 1 414 . 1 1 107 107 VAL CB C 13 31.380 0.000 . . . . . . 107 v CB . 26805 1 415 . 1 1 107 107 VAL CG1 C 13 24.455 0.000 . . . . . . 107 v CG1 . 26805 1 416 . 1 1 107 107 VAL CG2 C 13 22.007 0.000 . . . . . . 107 v CG2 . 26805 1 417 . 1 1 107 107 VAL N N 15 120.121 0.000 . . . . . . 107 v N . 26805 1 418 . 1 1 108 108 ALA C C 13 180.032 0.000 . . . . . . 108 a C . 26805 1 419 . 1 1 108 108 ALA CA C 13 55.720 0.000 . . . . . . 108 a CA . 26805 1 420 . 1 1 108 108 ALA CB C 13 21.974 0.000 . . . . . . 108 a CB . 26805 1 421 . 1 1 108 108 ALA N N 15 119.725 0.000 . . . . . . 108 a N . 26805 1 422 . 1 1 109 109 THR C C 13 176.702 0.000 . . . . . . 109 t C . 26805 1 423 . 1 1 109 109 THR CA C 13 67.482 0.000 . . . . . . 109 t CA . 26805 1 424 . 1 1 109 109 THR CG2 C 13 23.271 0.000 . . . . . . 109 t CG2 . 26805 1 425 . 1 1 109 109 THR N N 15 113.736 0.000 . . . . . . 109 t N . 26805 1 426 . 1 1 110 110 ALA CA C 13 55.675 0.000 . . . . . . 110 a CA . 26805 1 427 . 1 1 110 110 ALA CB C 13 18.481 0.000 . . . . . . 110 a CB . 26805 1 428 . 1 1 110 110 ALA N N 15 126.217 0.000 . . . . . . 110 a N . 26805 1 429 . 1 1 112 112 LEU C C 13 180.311 0.000 . . . . . . 112 l C . 26805 1 430 . 1 1 112 112 LEU CA C 13 58.052 0.000 . . . . . . 112 l CA . 26805 1 431 . 1 1 112 112 LEU CB C 13 41.064 0.000 . . . . . . 112 l CB . 26805 1 432 . 1 1 112 112 LEU N N 15 120.814 0.000 . . . . . . 112 l N . 26805 1 433 . 1 1 113 113 SER C C 13 176.247 0.000 . . . . . . 113 s C . 26805 1 434 . 1 1 113 113 SER CA C 13 61.578 0.000 . . . . . . 113 s CA . 26805 1 435 . 1 1 113 113 SER CB C 13 62.646 0.000 . . . . . . 113 s CB . 26805 1 436 . 1 1 113 113 SER N N 15 118.669 0.000 . . . . . . 113 s N . 26805 1 437 . 1 1 114 114 GLY C C 13 176.609 0.000 . . . . . . 114 g C . 26805 1 438 . 1 1 114 114 GLY CA C 13 47.031 0.000 . . . . . . 114 g CA . 26805 1 439 . 1 1 114 114 GLY N N 15 107.184 0.000 . . . . . . 114 g N . 26805 1 440 . 1 1 115 115 ILE C C 13 176.600 0.000 . . . . . . 115 i C . 26805 1 441 . 1 1 115 115 ILE CA C 13 62.584 0.000 . . . . . . 115 i CA . 26805 1 442 . 1 1 115 115 ILE CB C 13 36.254 0.000 . . . . . . 115 i CB . 26805 1 443 . 1 1 115 115 ILE N N 15 122.610 0.000 . . . . . . 115 i N . 26805 1 444 . 1 1 116 116 THR C C 13 176.389 0.000 . . . . . . 116 t C . 26805 1 445 . 1 1 116 116 THR CA C 13 60.715 0.000 . . . . . . 116 t CA . 26805 1 446 . 1 1 116 116 THR CB C 13 68.278 0.000 . . . . . . 116 t CB . 26805 1 447 . 1 1 116 116 THR CG2 C 13 22.327 0.000 . . . . . . 116 t CG2 . 26805 1 448 . 1 1 116 116 THR N N 15 105.802 0.000 . . . . . . 116 t N . 26805 1 449 . 1 1 117 117 SER C C 13 176.232 0.000 . . . . . . 117 s C . 26805 1 450 . 1 1 117 117 SER CA C 13 61.343 0.000 . . . . . . 117 s CA . 26805 1 451 . 1 1 117 117 SER CB C 13 63.494 0.000 . . . . . . 117 s CB . 26805 1 452 . 1 1 117 117 SER N N 15 115.563 0.000 . . . . . . 117 s N . 26805 1 453 . 1 1 118 118 SER C C 13 174.503 0.000 . . . . . . 118 s C . 26805 1 454 . 1 1 118 118 SER CA C 13 60.331 0.000 . . . . . . 118 s CA . 26805 1 455 . 1 1 118 118 SER CB C 13 63.581 0.000 . . . . . . 118 s CB . 26805 1 456 . 1 1 118 118 SER N N 15 116.135 0.000 . . . . . . 118 s N . 26805 1 457 . 1 1 119 119 LEU C C 13 177.128 0.000 . . . . . . 119 l C . 26805 1 458 . 1 1 119 119 LEU CA C 13 54.745 0.000 . . . . . . 119 l CA . 26805 1 459 . 1 1 119 119 LEU CB C 13 41.149 0.000 . . . . . . 119 l CB . 26805 1 460 . 1 1 119 119 LEU CG C 13 25.846 0.000 . . . . . . 119 l CG . 26805 1 461 . 1 1 119 119 LEU CD1 C 13 22.614 0.000 . . . . . . 119 l CD1 . 26805 1 462 . 1 1 119 119 LEU N N 15 120.078 0.000 . . . . . . 119 l N . 26805 1 463 . 1 1 120 120 THR C C 13 175.881 0.000 . . . . . . 120 t C . 26805 1 464 . 1 1 120 120 THR CA C 13 61.818 0.000 . . . . . . 120 t CA . 26805 1 465 . 1 1 120 120 THR CB C 13 69.906 0.000 . . . . . . 120 t CB . 26805 1 466 . 1 1 120 120 THR CG2 C 13 21.793 0.000 . . . . . . 120 t CG2 . 26805 1 467 . 1 1 120 120 THR N N 15 118.019 0.000 . . . . . . 120 t N . 26805 1 468 . 1 1 121 121 GLY C C 13 175.582 0.000 . . . . . . 121 g C . 26805 1 469 . 1 1 121 121 GLY CA C 13 47.400 0.000 . . . . . . 121 g CA . 26805 1 470 . 1 1 121 121 GLY N N 15 115.537 0.000 . . . . . . 121 g N . 26805 1 471 . 1 1 122 122 ASN C C 13 176.483 0.000 . . . . . . 122 n C . 26805 1 472 . 1 1 122 122 ASN CA C 13 52.858 0.000 . . . . . . 122 n CA . 26805 1 473 . 1 1 122 122 ASN CB C 13 39.024 0.000 . . . . . . 122 n CB . 26805 1 474 . 1 1 122 122 ASN CG C 13 175.603 0.000 . . . . . . 122 n CG . 26805 1 475 . 1 1 122 122 ASN N N 15 118.150 0.000 . . . . . . 122 n N . 26805 1 476 . 1 1 122 122 ASN ND2 N 15 111.450 0.000 . . . . . . 122 n ND2 . 26805 1 477 . 1 1 123 123 SER C C 13 175.066 0.000 . . . . . . 123 s C . 26805 1 478 . 1 1 123 123 SER CA C 13 58.571 0.000 . . . . . . 123 s CA . 26805 1 479 . 1 1 123 123 SER CB C 13 63.918 0.000 . . . . . . 123 s CB . 26805 1 480 . 1 1 123 123 SER N N 15 121.922 0.000 . . . . . . 123 s N . 26805 1 481 . 1 1 124 124 LEU C C 13 175.554 0.000 . . . . . . 124 l C . 26805 1 482 . 1 1 124 124 LEU CA C 13 55.874 0.000 . . . . . . 124 l CA . 26805 1 483 . 1 1 124 124 LEU CB C 13 39.746 0.000 . . . . . . 124 l CB . 26805 1 484 . 1 1 124 124 LEU CG C 13 26.850 0.000 . . . . . . 124 l CG . 26805 1 485 . 1 1 124 124 LEU CD1 C 13 26.185 0.000 . . . . . . 124 l CD1 . 26805 1 486 . 1 1 124 124 LEU CD2 C 13 22.765 0.000 . . . . . . 124 l CD2 . 26805 1 487 . 1 1 124 124 LEU N N 15 117.662 0.000 . . . . . . 124 l N . 26805 1 488 . 1 1 125 125 GLY C C 13 175.574 0.000 . . . . . . 125 g C . 26805 1 489 . 1 1 125 125 GLY CA C 13 45.754 0.000 . . . . . . 125 g CA . 26805 1 490 . 1 1 125 125 GLY N N 15 102.223 0.000 . . . . . . 125 g N . 26805 1 491 . 1 1 126 126 ARG C C 13 176.860 0.000 . . . . . . 126 r C . 26805 1 492 . 1 1 126 126 ARG CA C 13 57.646 0.000 . . . . . . 126 r CA . 26805 1 493 . 1 1 126 126 ARG CB C 13 31.388 0.000 . . . . . . 126 r CB . 26805 1 494 . 1 1 126 126 ARG CG C 13 27.316 0.000 . . . . . . 126 r CG . 26805 1 495 . 1 1 126 126 ARG CD C 13 43.492 0.000 . . . . . . 126 r CD . 26805 1 496 . 1 1 126 126 ARG CZ C 13 159.675 0.000 . . . . . . 126 r CZ . 26805 1 497 . 1 1 126 126 ARG N N 15 121.806 0.000 . . . . . . 126 r N . 26805 1 498 . 1 1 126 126 ARG NE N 15 84.333 0.000 . . . . . . 126 r NE . 26805 1 499 . 1 1 126 126 ARG NH1 N 15 72.854 0.000 . . . . . . 126 r NH1 . 26805 1 500 . 1 1 126 126 ARG NH2 N 15 71.552 0.000 . . . . . . 126 r NH2 . 26805 1 501 . 1 1 127 127 ASN C C 13 172.475 0.000 . . . . . . 127 n C . 26805 1 502 . 1 1 127 127 ASN CA C 13 56.232 0.000 . . . . . . 127 n CA . 26805 1 503 . 1 1 127 127 ASN CB C 13 38.699 0.000 . . . . . . 127 n CB . 26805 1 504 . 1 1 127 127 ASN CG C 13 176.466 0.000 . . . . . . 127 n CG . 26805 1 505 . 1 1 127 127 ASN N N 15 128.002 0.000 . . . . . . 127 n N . 26805 1 506 . 1 1 127 127 ASN ND2 N 15 101.722 0.000 . . . . . . 127 n ND2 . 26805 1 507 . 1 1 128 128 ASP C C 13 174.770 0.000 . . . . . . 128 d C . 26805 1 508 . 1 1 128 128 ASP CA C 13 52.306 0.000 . . . . . . 128 d CA . 26805 1 509 . 1 1 128 128 ASP CB C 13 41.674 0.000 . . . . . . 128 d CB . 26805 1 510 . 1 1 128 128 ASP CG C 13 178.511 0.000 . . . . . . 128 d CG . 26805 1 511 . 1 1 128 128 ASP N N 15 119.109 0.000 . . . . . . 128 d N . 26805 1 512 . 1 1 129 129 LEU C C 13 177.929 0.000 . . . . . . 129 l C . 26805 1 513 . 1 1 129 129 LEU CA C 13 54.750 0.000 . . . . . . 129 l CA . 26805 1 514 . 1 1 129 129 LEU CB C 13 41.264 0.000 . . . . . . 129 l CB . 26805 1 515 . 1 1 129 129 LEU CG C 13 27.096 0.000 . . . . . . 129 l CG . 26805 1 516 . 1 1 129 129 LEU CD1 C 13 22.698 0.000 . . . . . . 129 l CD1 . 26805 1 517 . 1 1 129 129 LEU CD2 C 13 24.721 0.000 . . . . . . 129 l CD2 . 26805 1 518 . 1 1 129 129 LEU N N 15 121.287 0.000 . . . . . . 129 l N . 26805 1 519 . 1 1 130 130 ALA C C 13 177.196 0.000 . . . . . . 130 a C . 26805 1 520 . 1 1 130 130 ALA CA C 13 51.595 0.000 . . . . . . 130 a CA . 26805 1 521 . 1 1 130 130 ALA CB C 13 20.470 0.000 . . . . . . 130 a CB . 26805 1 522 . 1 1 130 130 ALA N N 15 128.637 0.000 . . . . . . 130 a N . 26805 1 523 . 1 1 131 131 ASP C C 13 177.348 0.000 . . . . . . 131 d C . 26805 1 524 . 1 1 131 131 ASP CA C 13 56.899 0.000 . . . . . . 131 d CA . 26805 1 525 . 1 1 131 131 ASP N N 15 120.467 0.000 . . . . . . 131 d N . 26805 1 526 . 1 1 132 132 GLY C C 13 173.748 0.000 . . . . . . 132 g C . 26805 1 527 . 1 1 132 132 GLY CA C 13 44.841 0.000 . . . . . . 132 g CA . 26805 1 528 . 1 1 132 132 GLY N N 15 113.126 0.000 . . . . . . 132 g N . 26805 1 529 . 1 1 133 133 VAL C C 13 175.226 0.000 . . . . . . 133 v C . 26805 1 530 . 1 1 133 133 VAL CA C 13 61.656 0.000 . . . . . . 133 v CA . 26805 1 531 . 1 1 133 133 VAL CB C 13 32.350 0.000 . . . . . . 133 v CB . 26805 1 532 . 1 1 133 133 VAL CG1 C 13 24.120 0.000 . . . . . . 133 v CG1 . 26805 1 533 . 1 1 133 133 VAL CG2 C 13 21.797 0.000 . . . . . . 133 v CG2 . 26805 1 534 . 1 1 133 133 VAL N N 15 126.254 0.000 . . . . . . 133 v N . 26805 1 535 . 1 1 134 134 ASN C C 13 176.908 0.000 . . . . . . 134 n C . 26805 1 536 . 1 1 134 134 ASN CA C 13 51.277 0.000 . . . . . . 134 n CA . 26805 1 537 . 1 1 134 134 ASN CB C 13 39.020 0.000 . . . . . . 134 n CB . 26805 1 538 . 1 1 134 134 ASN CG C 13 176.019 0.000 . . . . . . 134 n CG . 26805 1 539 . 1 1 134 134 ASN N N 15 124.900 0.000 . . . . . . 134 n N . 26805 1 540 . 1 1 135 135 SER C C 13 176.191 0.000 . . . . . . 135 s C . 26805 1 541 . 1 1 135 135 SER CA C 13 62.957 0.000 . . . . . . 135 s CA . 26805 1 542 . 1 1 135 135 SER N N 15 113.448 0.000 . . . . . . 135 s N . 26805 1 543 . 1 1 136 136 GLY C C 13 175.509 0.000 . . . . . . 136 g C . 26805 1 544 . 1 1 136 136 GLY CA C 13 47.614 0.000 . . . . . . 136 g CA . 26805 1 545 . 1 1 136 136 GLY N N 15 109.643 0.000 . . . . . . 136 g N . 26805 1 546 . 1 1 137 137 GLN C C 13 178.472 0.000 . . . . . . 137 q C . 26805 1 547 . 1 1 137 137 GLN CA C 13 58.657 0.000 . . . . . . 137 q CA . 26805 1 548 . 1 1 137 137 GLN CB C 13 27.812 0.000 . . . . . . 137 q CB . 26805 1 549 . 1 1 137 137 GLN CG C 13 35.009 0.000 . . . . . . 137 q CG . 26805 1 550 . 1 1 137 137 GLN CD C 13 179.903 0.000 . . . . . . 137 q CD . 26805 1 551 . 1 1 137 137 GLN N N 15 121.629 0.000 . . . . . . 137 q N . 26805 1 552 . 1 1 137 137 GLN NE2 N 15 111.277 0.000 . . . . . . 137 q NE2 . 26805 1 553 . 1 1 138 138 GLY C C 13 174.911 0.000 . . . . . . 138 g C . 26805 1 554 . 1 1 138 138 GLY CA C 13 46.792 0.000 . . . . . . 138 g CA . 26805 1 555 . 1 1 138 138 GLY N N 15 106.350 0.000 . . . . . . 138 g N . 26805 1 556 . 1 1 139 139 LEU C C 13 178.856 0.000 . . . . . . 139 l C . 26805 1 557 . 1 1 139 139 LEU CA C 13 58.285 0.000 . . . . . . 139 l CA . 26805 1 558 . 1 1 139 139 LEU CB C 13 41.960 0.000 . . . . . . 139 l CB . 26805 1 559 . 1 1 139 139 LEU CG C 13 26.735 0.000 . . . . . . 139 l CG . 26805 1 560 . 1 1 139 139 LEU N N 15 121.228 0.000 . . . . . . 139 l N . 26805 1 561 . 1 1 140 140 GLY C C 13 174.408 0.000 . . . . . . 140 g C . 26805 1 562 . 1 1 140 140 GLY CA C 13 48.259 0.000 . . . . . . 140 g CA . 26805 1 563 . 1 1 140 140 GLY N N 15 105.008 0.000 . . . . . . 140 g N . 26805 1 564 . 1 1 141 141 ILE C C 13 177.819 0.000 . . . . . . 141 i C . 26805 1 565 . 1 1 141 141 ILE CA C 13 62.720 0.000 . . . . . . 141 i CA . 26805 1 566 . 1 1 141 141 ILE CB C 13 35.561 0.000 . . . . . . 141 i CB . 26805 1 567 . 1 1 141 141 ILE CG1 C 13 26.488 0.000 . . . . . . 141 i CG1 . 26805 1 568 . 1 1 141 141 ILE CG2 C 13 17.528 0.000 . . . . . . 141 i CG2 . 26805 1 569 . 1 1 141 141 ILE CD1 C 13 7.891 0.000 . . . . . . 141 i CD1 . 26805 1 570 . 1 1 141 141 ILE N N 15 120.391 0.000 . . . . . . 141 i N . 26805 1 571 . 1 1 142 142 GLU C C 13 180.680 0.000 . . . . . . 142 e C . 26805 1 572 . 1 1 142 142 GLU CA C 13 59.710 0.000 . . . . . . 142 e CA . 26805 1 573 . 1 1 142 142 GLU CB C 13 30.581 0.000 . . . . . . 142 e CB . 26805 1 574 . 1 1 142 142 GLU CG C 13 38.393 0.000 . . . . . . 142 e CG . 26805 1 575 . 1 1 142 142 GLU CD C 13 179.467 0.000 . . . . . . 142 e CD . 26805 1 576 . 1 1 142 142 GLU N N 15 119.263 0.000 . . . . . . 142 e N . 26805 1 577 . 1 1 143 143 ILE C C 13 178.301 0.000 . . . . . . 143 i C . 26805 1 578 . 1 1 143 143 ILE CA C 13 65.601 0.000 . . . . . . 143 i CA . 26805 1 579 . 1 1 143 143 ILE CB C 13 38.103 0.000 . . . . . . 143 i CB . 26805 1 580 . 1 1 143 143 ILE CG1 C 13 30.112 0.000 . . . . . . 143 i CG1 . 26805 1 581 . 1 1 143 143 ILE CG2 C 13 17.202 0.000 . . . . . . 143 i CG2 . 26805 1 582 . 1 1 143 143 ILE CD1 C 13 14.713 0.000 . . . . . . 143 i CD1 . 26805 1 583 . 1 1 143 143 ILE N N 15 120.865 0.000 . . . . . . 143 i N . 26805 1 584 . 1 1 144 144 ILE C C 13 178.055 0.000 . . . . . . 144 i C . 26805 1 585 . 1 1 144 144 ILE CA C 13 64.712 0.000 . . . . . . 144 i CA . 26805 1 586 . 1 1 144 144 ILE CB C 13 36.160 0.000 . . . . . . 144 i CB . 26805 1 587 . 1 1 144 144 ILE CG2 C 13 17.628 0.000 . . . . . . 144 i CG2 . 26805 1 588 . 1 1 144 144 ILE N N 15 119.520 0.000 . . . . . . 144 i N . 26805 1 589 . 1 1 145 145 GLY C C 13 174.644 0.000 . . . . . . 145 g C . 26805 1 590 . 1 1 145 145 GLY CA C 13 47.390 0.000 . . . . . . 145 g CA . 26805 1 591 . 1 1 145 145 GLY N N 15 106.033 0.000 . . . . . . 145 g N . 26805 1 592 . 1 1 146 146 THR C C 13 175.996 0.000 . . . . . . 146 t C . 26805 1 593 . 1 1 146 146 THR CA C 13 66.501 0.000 . . . . . . 146 t CA . 26805 1 594 . 1 1 146 146 THR CB C 13 68.452 0.000 . . . . . . 146 t CB . 26805 1 595 . 1 1 146 146 THR CG2 C 13 21.766 0.000 . . . . . . 146 t CG2 . 26805 1 596 . 1 1 146 146 THR N N 15 115.098 0.000 . . . . . . 146 t N . 26805 1 597 . 1 1 147 147 LEU C C 13 179.501 0.000 . . . . . . 147 l C . 26805 1 598 . 1 1 147 147 LEU CA C 13 59.599 0.000 . . . . . . 147 l CA . 26805 1 599 . 1 1 147 147 LEU CB C 13 43.872 0.000 . . . . . . 147 l CB . 26805 1 600 . 1 1 147 147 LEU CG C 13 27.903 0.000 . . . . . . 147 l CG . 26805 1 601 . 1 1 147 147 LEU CD1 C 13 24.222 0.000 . . . . . . 147 l CD1 . 26805 1 602 . 1 1 147 147 LEU N N 15 126.349 0.000 . . . . . . 147 l N . 26805 1 603 . 1 1 148 148 GLN C C 13 175.361 0.000 . . . . . . 148 q C . 26805 1 604 . 1 1 148 148 GLN CA C 13 58.792 0.000 . . . . . . 148 q CA . 26805 1 605 . 1 1 148 148 GLN CB C 13 24.698 0.000 . . . . . . 148 q CB . 26805 1 606 . 1 1 148 148 GLN CG C 13 30.331 0.000 . . . . . . 148 q CG . 26805 1 607 . 1 1 148 148 GLN CD C 13 177.885 0.000 . . . . . . 148 q CD . 26805 1 608 . 1 1 148 148 GLN N N 15 113.062 0.000 . . . . . . 148 q N . 26805 1 609 . 1 1 148 148 GLN NE2 N 15 103.498 0.000 . . . . . . 148 q NE2 . 26805 1 610 . 1 1 149 149 LEU C C 13 178.259 0.000 . . . . . . 149 l C . 26805 1 611 . 1 1 149 149 LEU CA C 13 56.691 0.000 . . . . . . 149 l CA . 26805 1 612 . 1 1 149 149 LEU CB C 13 42.254 0.000 . . . . . . 149 l CB . 26805 1 613 . 1 1 149 149 LEU CG C 13 28.307 0.000 . . . . . . 149 l CG . 26805 1 614 . 1 1 149 149 LEU CD1 C 13 26.911 0.000 . . . . . . 149 l CD1 . 26805 1 615 . 1 1 149 149 LEU CD2 C 13 24.399 0.000 . . . . . . 149 l CD2 . 26805 1 616 . 1 1 149 149 LEU N N 15 121.935 0.000 . . . . . . 149 l N . 26805 1 617 . 1 1 150 150 VAL C C 13 177.678 0.000 . . . . . . 150 v C . 26805 1 618 . 1 1 150 150 VAL CA C 13 67.458 0.000 . . . . . . 150 v CA . 26805 1 619 . 1 1 150 150 VAL CB C 13 30.974 0.000 . . . . . . 150 v CB . 26805 1 620 . 1 1 150 150 VAL CG1 C 13 21.729 0.000 . . . . . . 150 v CG1 . 26805 1 621 . 1 1 150 150 VAL CG2 C 13 23.606 0.000 . . . . . . 150 v CG2 . 26805 1 622 . 1 1 150 150 VAL N N 15 118.809 0.000 . . . . . . 150 v N . 26805 1 623 . 1 1 151 151 LEU C C 13 176.278 0.000 . . . . . . 151 l C . 26805 1 624 . 1 1 151 151 LEU CA C 13 58.604 0.000 . . . . . . 151 l CA . 26805 1 625 . 1 1 151 151 LEU CB C 13 42.052 0.000 . . . . . . 151 l CB . 26805 1 626 . 1 1 151 151 LEU CG C 13 26.840 0.000 . . . . . . 151 l CG . 26805 1 627 . 1 1 151 151 LEU CD1 C 13 24.672 0.000 . . . . . . 151 l CD1 . 26805 1 628 . 1 1 151 151 LEU N N 15 120.643 0.000 . . . . . . 151 l N . 26805 1 629 . 1 1 152 152 CYS C C 13 179.307 0.000 . . . . . . 152 c C . 26805 1 630 . 1 1 152 152 CYS CA C 13 62.580 0.000 . . . . . . 152 c CA . 26805 1 631 . 1 1 152 152 CYS CB C 13 26.285 0.000 . . . . . . 152 c CB . 26805 1 632 . 1 1 152 152 CYS N N 15 118.451 0.000 . . . . . . 152 c N . 26805 1 633 . 1 1 153 153 VAL C C 13 179.611 0.000 . . . . . . 153 v C . 26805 1 634 . 1 1 153 153 VAL CA C 13 68.253 0.000 . . . . . . 153 v CA . 26805 1 635 . 1 1 153 153 VAL CB C 13 31.809 0.000 . . . . . . 153 v CB . 26805 1 636 . 1 1 153 153 VAL CG1 C 13 20.832 0.000 . . . . . . 153 v CG1 . 26805 1 637 . 1 1 153 153 VAL CG2 C 13 22.765 0.000 . . . . . . 153 v CG2 . 26805 1 638 . 1 1 153 153 VAL N N 15 122.953 0.000 . . . . . . 153 v N . 26805 1 639 . 1 1 154 154 LEU C C 13 178.825 0.000 . . . . . . 154 l C . 26805 1 640 . 1 1 154 154 LEU CA C 13 57.998 0.000 . . . . . . 154 l CA . 26805 1 641 . 1 1 154 154 LEU CB C 13 41.080 0.000 . . . . . . 154 l CB . 26805 1 642 . 1 1 154 154 LEU CG C 13 26.963 0.000 . . . . . . 154 l CG . 26805 1 643 . 1 1 154 154 LEU CD1 C 13 22.983 0.000 . . . . . . 154 l CD1 . 26805 1 644 . 1 1 154 154 LEU N N 15 122.702 0.000 . . . . . . 154 l N . 26805 1 645 . 1 1 155 155 ALA C C 13 180.764 0.000 . . . . . . 155 a C . 26805 1 646 . 1 1 155 155 ALA CA C 13 54.317 0.000 . . . . . . 155 a CA . 26805 1 647 . 1 1 155 155 ALA CB C 13 21.050 0.000 . . . . . . 155 a CB . 26805 1 648 . 1 1 155 155 ALA N N 15 119.228 0.000 . . . . . . 155 a N . 26805 1 649 . 1 1 156 156 THR C C 13 175.084 0.000 . . . . . . 156 t C . 26805 1 650 . 1 1 156 156 THR CA C 13 66.580 0.000 . . . . . . 156 t CA . 26805 1 651 . 1 1 156 156 THR CB C 13 69.233 0.000 . . . . . . 156 t CB . 26805 1 652 . 1 1 156 156 THR CG2 C 13 22.275 0.000 . . . . . . 156 t CG2 . 26805 1 653 . 1 1 156 156 THR N N 15 114.433 0.000 . . . . . . 156 t N . 26805 1 654 . 1 1 157 157 THR C C 13 174.050 0.000 . . . . . . 157 t C . 26805 1 655 . 1 1 157 157 THR CA C 13 61.699 0.000 . . . . . . 157 t CA . 26805 1 656 . 1 1 157 157 THR CB C 13 69.675 0.000 . . . . . . 157 t CB . 26805 1 657 . 1 1 157 157 THR CG2 C 13 21.232 0.000 . . . . . . 157 t CG2 . 26805 1 658 . 1 1 157 157 THR N N 15 109.835 0.000 . . . . . . 157 t N . 26805 1 659 . 1 1 158 158 ASP C C 13 178.479 0.000 . . . . . . 158 d C . 26805 1 660 . 1 1 158 158 ASP CA C 13 54.276 0.000 . . . . . . 158 d CA . 26805 1 661 . 1 1 158 158 ASP CB C 13 41.415 0.000 . . . . . . 158 d CB . 26805 1 662 . 1 1 158 158 ASP CG C 13 181.693 0.000 . . . . . . 158 d CG . 26805 1 663 . 1 1 158 158 ASP N N 15 120.903 0.000 . . . . . . 158 d N . 26805 1 664 . 1 1 159 159 ARG C C 13 177.151 0.000 . . . . . . 159 r C . 26805 1 665 . 1 1 159 159 ARG CA C 13 57.608 0.000 . . . . . . 159 r CA . 26805 1 666 . 1 1 159 159 ARG CB C 13 29.682 0.000 . . . . . . 159 r CB . 26805 1 667 . 1 1 159 159 ARG CG C 13 27.470 0.000 . . . . . . 159 r CG . 26805 1 668 . 1 1 159 159 ARG CD C 13 42.354 0.000 . . . . . . 159 r CD . 26805 1 669 . 1 1 159 159 ARG N N 15 130.076 0.000 . . . . . . 159 r N . 26805 1 670 . 1 1 166 166 GLY C C 13 172.931 0.000 . . . . . . 166 g C . 26805 1 671 . 1 1 166 166 GLY CA C 13 44.365 0.000 . . . . . . 166 g CA . 26805 1 672 . 1 1 166 166 GLY N N 15 104.823 0.000 . . . . . . 166 g N . 26805 1 673 . 1 1 167 167 SER C C 13 176.677 0.000 . . . . . . 167 s C . 26805 1 674 . 1 1 167 167 SER CA C 13 55.854 0.000 . . . . . . 167 s CA . 26805 1 675 . 1 1 167 167 SER CB C 13 63.061 0.000 . . . . . . 167 s CB . 26805 1 676 . 1 1 167 167 SER N N 15 111.198 0.000 . . . . . . 167 s N . 26805 1 677 . 1 1 168 168 ALA C C 13 176.041 0.000 . . . . . . 168 a C . 26805 1 678 . 1 1 168 168 ALA CA C 13 56.254 0.000 . . . . . . 168 a CA . 26805 1 679 . 1 1 168 168 ALA CB C 13 15.864 0.000 . . . . . . 168 a CB . 26805 1 680 . 1 1 168 168 ALA N N 15 137.333 0.000 . . . . . . 168 a N . 26805 1 681 . 1 1 169 169 PRO C C 13 178.906 0.000 . . . . . . 169 p C . 26805 1 682 . 1 1 169 169 PRO CA C 13 66.794 0.000 . . . . . . 169 p CA . 26805 1 683 . 1 1 169 169 PRO CB C 13 32.754 0.000 . . . . . . 169 p CB . 26805 1 684 . 1 1 169 169 PRO CG C 13 28.236 0.000 . . . . . . 169 p CG . 26805 1 685 . 1 1 169 169 PRO CD C 13 50.177 0.000 . . . . . . 169 p CD . 26805 1 686 . 1 1 169 169 PRO N N 15 133.857 0.000 . . . . . . 169 p N . 26805 1 687 . 1 1 170 170 LEU C C 13 177.813 0.000 . . . . . . 170 l C . 26805 1 688 . 1 1 170 170 LEU CA C 13 57.375 0.000 . . . . . . 170 l CA . 26805 1 689 . 1 1 170 170 LEU CB C 13 41.446 0.000 . . . . . . 170 l CB . 26805 1 690 . 1 1 170 170 LEU CG C 13 26.628 0.000 . . . . . . 170 l CG . 26805 1 691 . 1 1 170 170 LEU CD1 C 13 25.439 0.000 . . . . . . 170 l CD1 . 26805 1 692 . 1 1 170 170 LEU CD2 C 13 22.565 0.000 . . . . . . 170 l CD2 . 26805 1 693 . 1 1 170 170 LEU N N 15 116.339 0.000 . . . . . . 170 l N . 26805 1 694 . 1 1 171 171 ALA C C 13 181.055 0.000 . . . . . . 171 a C . 26805 1 695 . 1 1 171 171 ALA CA C 13 55.544 0.000 . . . . . . 171 a CA . 26805 1 696 . 1 1 171 171 ALA CB C 13 18.235 0.000 . . . . . . 171 a CB . 26805 1 697 . 1 1 171 171 ALA N N 15 121.374 0.000 . . . . . . 171 a N . 26805 1 698 . 1 1 172 172 ILE C C 13 178.930 0.000 . . . . . . 172 i C . 26805 1 699 . 1 1 172 172 ILE CA C 13 64.669 0.000 . . . . . . 172 i CA . 26805 1 700 . 1 1 172 172 ILE CB C 13 37.536 0.000 . . . . . . 172 i CB . 26805 1 701 . 1 1 172 172 ILE CG1 C 13 28.879 0.000 . . . . . . 172 i CG1 . 26805 1 702 . 1 1 172 172 ILE CG2 C 13 17.087 0.000 . . . . . . 172 i CG2 . 26805 1 703 . 1 1 172 172 ILE CD1 C 13 12.260 0.000 . . . . . . 172 i CD1 . 26805 1 704 . 1 1 172 172 ILE N N 15 117.691 0.000 . . . . . . 172 i N . 26805 1 705 . 1 1 173 173 GLY C C 13 176.758 0.000 . . . . . . 173 g C . 26805 1 706 . 1 1 173 173 GLY CA C 13 48.496 0.000 . . . . . . 173 g CA . 26805 1 707 . 1 1 173 173 GLY N N 15 108.484 0.000 . . . . . . 173 g N . 26805 1 708 . 1 1 174 174 LEU C C 13 179.101 0.000 . . . . . . 174 l C . 26805 1 709 . 1 1 174 174 LEU CA C 13 57.694 0.000 . . . . . . 174 l CA . 26805 1 710 . 1 1 174 174 LEU CB C 13 39.829 0.000 . . . . . . 174 l CB . 26805 1 711 . 1 1 174 174 LEU CG C 13 26.285 0.000 . . . . . . 174 l CG . 26805 1 712 . 1 1 174 174 LEU CD1 C 13 19.430 0.000 . . . . . . 174 l CD1 . 26805 1 713 . 1 1 174 174 LEU CD2 C 13 17.786 0.000 . . . . . . 174 l CD2 . 26805 1 714 . 1 1 174 174 LEU N N 15 120.656 0.000 . . . . . . 174 l N . 26805 1 715 . 1 1 175 175 SER C C 13 179.978 0.000 . . . . . . 175 s C . 26805 1 716 . 1 1 175 175 SER CA C 13 61.178 0.000 . . . . . . 175 s CA . 26805 1 717 . 1 1 175 175 SER CB C 13 63.277 0.000 . . . . . . 175 s CB . 26805 1 718 . 1 1 175 175 SER N N 15 115.913 0.000 . . . . . . 175 s N . 26805 1 719 . 1 1 176 176 VAL C C 13 180.959 0.000 . . . . . . 176 v C . 26805 1 720 . 1 1 176 176 VAL CA C 13 68.085 0.000 . . . . . . 176 v CA . 26805 1 721 . 1 1 176 176 VAL CB C 13 31.702 0.000 . . . . . . 176 v CB . 26805 1 722 . 1 1 176 176 VAL CG1 C 13 25.187 0.000 . . . . . . 176 v CG1 . 26805 1 723 . 1 1 176 176 VAL CG2 C 13 21.392 0.000 . . . . . . 176 v CG2 . 26805 1 724 . 1 1 176 176 VAL N N 15 123.700 0.000 . . . . . . 176 v N . 26805 1 725 . 1 1 177 177 ALA C C 13 179.565 0.000 . . . . . . 177 a C . 26805 1 726 . 1 1 177 177 ALA CA C 13 55.496 0.000 . . . . . . 177 a CA . 26805 1 727 . 1 1 177 177 ALA CB C 13 17.311 0.000 . . . . . . 177 a CB . 26805 1 728 . 1 1 177 177 ALA N N 15 125.861 0.000 . . . . . . 177 a N . 26805 1 729 . 1 1 178 178 LEU C C 13 178.092 0.000 . . . . . . 178 l C . 26805 1 730 . 1 1 178 178 LEU CA C 13 58.007 0.000 . . . . . . 178 l CA . 26805 1 731 . 1 1 178 178 LEU CB C 13 41.998 0.000 . . . . . . 178 l CB . 26805 1 732 . 1 1 178 178 LEU CG C 13 27.094 0.000 . . . . . . 178 l CG . 26805 1 733 . 1 1 178 178 LEU CD1 C 13 24.526 0.000 . . . . . . 178 l CD1 . 26805 1 734 . 1 1 178 178 LEU CD2 C 13 25.612 0.000 . . . . . . 178 l CD2 . 26805 1 735 . 1 1 178 178 LEU N N 15 120.419 0.000 . . . . . . 178 l N . 26805 1 736 . 1 1 179 179 GLY C C 13 174.108 0.000 . . . . . . 179 g C . 26805 1 737 . 1 1 179 179 GLY CA C 13 47.385 0.000 . . . . . . 179 g CA . 26805 1 738 . 1 1 179 179 GLY N N 15 103.726 0.000 . . . . . . 179 g N . 26805 1 739 . 1 1 180 180 HIS C C 13 177.593 0.000 . . . . . . 180 h C . 26805 1 740 . 1 1 180 180 HIS CA C 13 61.579 0.000 . . . . . . 180 h CA . 26805 1 741 . 1 1 180 180 HIS CB C 13 28.913 0.000 . . . . . . 180 h CB . 26805 1 742 . 1 1 180 180 HIS CG C 13 130.363 0.000 . . . . . . 180 h CG . 26805 1 743 . 1 1 180 180 HIS CD2 C 13 126.713 0.000 . . . . . . 180 h CD2 . 26805 1 744 . 1 1 180 180 HIS CE1 C 13 137.951 0.000 . . . . . . 180 h CE1 . 26805 1 745 . 1 1 180 180 HIS N N 15 119.831 0.000 . . . . . . 180 h N . 26805 1 746 . 1 1 180 180 HIS NE2 N 15 167.141 0.000 . . . . . . 180 h NE2 . 26805 1 747 . 1 1 181 181 LEU C C 13 179.498 0.000 . . . . . . 181 l C . 26805 1 748 . 1 1 181 181 LEU CA C 13 57.709 0.000 . . . . . . 181 l CA . 26805 1 749 . 1 1 181 181 LEU CB C 13 40.439 0.000 . . . . . . 181 l CB . 26805 1 750 . 1 1 181 181 LEU CG C 13 26.633 0.000 . . . . . . 181 l CG . 26805 1 751 . 1 1 181 181 LEU CD1 C 13 23.106 0.000 . . . . . . 181 l CD1 . 26805 1 752 . 1 1 181 181 LEU N N 15 125.623 0.000 . . . . . . 181 l N . 26805 1 753 . 1 1 182 182 LEU C C 13 178.739 0.000 . . . . . . 182 l C . 26805 1 754 . 1 1 182 182 LEU CA C 13 57.932 0.000 . . . . . . 182 l CA . 26805 1 755 . 1 1 182 182 LEU CB C 13 41.648 0.000 . . . . . . 182 l CB . 26805 1 756 . 1 1 182 182 LEU CG C 13 28.390 0.000 . . . . . . 182 l CG . 26805 1 757 . 1 1 182 182 LEU CD1 C 13 25.881 0.000 . . . . . . 182 l CD1 . 26805 1 758 . 1 1 182 182 LEU CD2 C 13 21.636 0.000 . . . . . . 182 l CD2 . 26805 1 759 . 1 1 182 182 LEU N N 15 115.855 0.000 . . . . . . 182 l N . 26805 1 760 . 1 1 183 183 ALA C C 13 180.067 0.000 . . . . . . 183 a C . 26805 1 761 . 1 1 183 183 ALA CA C 13 55.883 0.000 . . . . . . 183 a CA . 26805 1 762 . 1 1 183 183 ALA CB C 13 20.915 0.000 . . . . . . 183 a CB . 26805 1 763 . 1 1 183 183 ALA N N 15 114.033 0.000 . . . . . . 183 a N . 26805 1 764 . 1 1 184 184 ILE C C 13 178.427 0.000 . . . . . . 184 i C . 26805 1 765 . 1 1 184 184 ILE CA C 13 67.625 0.000 . . . . . . 184 i CA . 26805 1 766 . 1 1 184 184 ILE CB C 13 37.271 0.000 . . . . . . 184 i CB . 26805 1 767 . 1 1 184 184 ILE CG1 C 13 23.373 0.000 . . . . . . 184 i CG1 . 26805 1 768 . 1 1 184 184 ILE CG2 C 13 17.459 0.000 . . . . . . 184 i CG2 . 26805 1 769 . 1 1 184 184 ILE CD1 C 13 15.688 0.000 . . . . . . 184 i CD1 . 26805 1 770 . 1 1 184 184 ILE N N 15 121.770 0.000 . . . . . . 184 i N . 26805 1 771 . 1 1 185 185 ASP C C 13 174.194 0.000 . . . . . . 185 d C . 26805 1 772 . 1 1 185 185 ASP CA C 13 57.234 0.000 . . . . . . 185 d CA . 26805 1 773 . 1 1 185 185 ASP CB C 13 43.063 0.000 . . . . . . 185 d CB . 26805 1 774 . 1 1 185 185 ASP CG C 13 181.326 0.000 . . . . . . 185 d CG . 26805 1 775 . 1 1 185 185 ASP N N 15 115.108 0.000 . . . . . . 185 d N . 26805 1 776 . 1 1 186 186 TYR C C 13 177.206 0.000 . . . . . . 186 y C . 26805 1 777 . 1 1 186 186 TYR CA C 13 59.914 0.000 . . . . . . 186 y CA . 26805 1 778 . 1 1 186 186 TYR CB C 13 41.816 0.000 . . . . . . 186 y CB . 26805 1 779 . 1 1 186 186 TYR N N 15 113.226 0.000 . . . . . . 186 y N . 26805 1 780 . 1 1 187 187 THR C C 13 175.733 0.000 . . . . . . 187 t C . 26805 1 781 . 1 1 187 187 THR CA C 13 60.988 0.000 . . . . . . 187 t CA . 26805 1 782 . 1 1 187 187 THR CB C 13 70.800 0.000 . . . . . . 187 t CB . 26805 1 783 . 1 1 187 187 THR CG2 C 13 22.588 0.000 . . . . . . 187 t CG2 . 26805 1 784 . 1 1 187 187 THR N N 15 104.036 0.000 . . . . . . 187 t N . 26805 1 785 . 1 1 188 188 GLY C C 13 172.326 0.000 . . . . . . 188 g C . 26805 1 786 . 1 1 188 188 GLY CA C 13 46.840 0.000 . . . . . . 188 g CA . 26805 1 787 . 1 1 188 188 GLY N N 15 112.497 0.000 . . . . . . 188 g N . 26805 1 788 . 1 1 189 189 CYS C C 13 171.485 0.000 . . . . . . 189 c C . 26805 1 789 . 1 1 189 189 CYS CA C 13 61.358 0.000 . . . . . . 189 c CA . 26805 1 790 . 1 1 189 189 CYS CB C 13 28.307 0.000 . . . . . . 189 c CB . 26805 1 791 . 1 1 189 189 CYS N N 15 116.571 0.000 . . . . . . 189 c N . 26805 1 792 . 1 1 190 190 GLY C C 13 172.545 0.000 . . . . . . 190 g C . 26805 1 793 . 1 1 190 190 GLY CA C 13 47.178 0.000 . . . . . . 190 g CA . 26805 1 794 . 1 1 190 190 GLY N N 15 130.132 0.000 . . . . . . 190 g N . 26805 1 795 . 1 1 191 191 ILE C C 13 174.596 0.000 . . . . . . 191 i C . 26805 1 796 . 1 1 191 191 ILE CA C 13 61.359 0.000 . . . . . . 191 i CA . 26805 1 797 . 1 1 191 191 ILE CB C 13 40.809 0.000 . . . . . . 191 i CB . 26805 1 798 . 1 1 191 191 ILE CG1 C 13 26.726 0.000 . . . . . . 191 i CG1 . 26805 1 799 . 1 1 191 191 ILE CG2 C 13 16.453 0.000 . . . . . . 191 i CG2 . 26805 1 800 . 1 1 191 191 ILE CD1 C 13 15.141 0.000 . . . . . . 191 i CD1 . 26805 1 801 . 1 1 191 191 ILE N N 15 119.085 0.000 . . . . . . 191 i N . 26805 1 802 . 1 1 192 192 ASN C C 13 173.907 0.000 . . . . . . 192 n C . 26805 1 803 . 1 1 192 192 ASN CA C 13 52.595 0.000 . . . . . . 192 n CA . 26805 1 804 . 1 1 192 192 ASN CB C 13 37.863 0.000 . . . . . . 192 n CB . 26805 1 805 . 1 1 192 192 ASN CG C 13 178.673 0.000 . . . . . . 192 n CG . 26805 1 806 . 1 1 192 192 ASN N N 15 107.448 0.000 . . . . . . 192 n N . 26805 1 807 . 1 1 192 192 ASN ND2 N 15 117.042 0.000 . . . . . . 192 n ND2 . 26805 1 808 . 1 1 193 193 PRO C C 13 178.167 0.000 . . . . . . 193 p C . 26805 1 809 . 1 1 193 193 PRO CA C 13 64.941 0.000 . . . . . . 193 p CA . 26805 1 810 . 1 1 193 193 PRO CB C 13 30.396 0.000 . . . . . . 193 p CB . 26805 1 811 . 1 1 193 193 PRO CG C 13 26.201 0.000 . . . . . . 193 p CG . 26805 1 812 . 1 1 193 193 PRO CD C 13 49.941 0.000 . . . . . . 193 p CD . 26805 1 813 . 1 1 193 193 PRO N N 15 133.598 0.000 . . . . . . 193 p N . 26805 1 814 . 1 1 194 194 ALA C C 13 177.834 0.000 . . . . . . 194 a C . 26805 1 815 . 1 1 194 194 ALA CA C 13 55.219 0.000 . . . . . . 194 a CA . 26805 1 816 . 1 1 194 194 ALA CB C 13 18.371 0.000 . . . . . . 194 a CB . 26805 1 817 . 1 1 194 194 ALA N N 15 113.021 0.000 . . . . . . 194 a N . 26805 1 818 . 1 1 195 195 ARG C C 13 181.734 0.000 . . . . . . 195 r C . 26805 1 819 . 1 1 195 195 ARG CA C 13 57.805 0.000 . . . . . . 195 r CA . 26805 1 820 . 1 1 195 195 ARG CB C 13 28.579 0.000 . . . . . . 195 r CB . 26805 1 821 . 1 1 195 195 ARG CG C 13 26.643 0.000 . . . . . . 195 r CG . 26805 1 822 . 1 1 195 195 ARG CD C 13 43.258 0.000 . . . . . . 195 r CD . 26805 1 823 . 1 1 195 195 ARG CZ C 13 160.491 0.000 . . . . . . 195 r CZ . 26805 1 824 . 1 1 195 195 ARG N N 15 117.580 0.000 . . . . . . 195 r N . 26805 1 825 . 1 1 195 195 ARG NE N 15 85.588 0.000 . . . . . . 195 r NE . 26805 1 826 . 1 1 195 195 ARG NH1 N 15 70.414 0.000 . . . . . . 195 r NH1 . 26805 1 827 . 1 1 195 195 ARG NH2 N 15 69.258 0.000 . . . . . . 195 r NH2 . 26805 1 828 . 1 1 196 196 SER C C 13 176.341 0.000 . . . . . . 196 s C . 26805 1 829 . 1 1 196 196 SER CA C 13 62.113 0.000 . . . . . . 196 s CA . 26805 1 830 . 1 1 196 196 SER CB C 13 62.757 0.000 . . . . . . 196 s CB . 26805 1 831 . 1 1 196 196 SER N N 15 117.638 0.000 . . . . . . 196 s N . 26805 1 832 . 1 1 197 197 PHE C C 13 177.217 0.000 . . . . . . 197 f C . 26805 1 833 . 1 1 197 197 PHE CA C 13 61.341 0.000 . . . . . . 197 f CA . 26805 1 834 . 1 1 197 197 PHE CB C 13 41.141 0.000 . . . . . . 197 f CB . 26805 1 835 . 1 1 197 197 PHE N N 15 128.292 0.000 . . . . . . 197 f N . 26805 1 836 . 1 1 198 198 GLY C C 13 176.072 0.000 . . . . . . 198 g C . 26805 1 837 . 1 1 198 198 GLY CA C 13 48.828 0.000 . . . . . . 198 g CA . 26805 1 838 . 1 1 198 198 GLY N N 15 104.666 0.000 . . . . . . 198 g N . 26805 1 839 . 1 1 199 199 SER C C 13 176.502 0.000 . . . . . . 199 s C . 26805 1 840 . 1 1 199 199 SER CA C 13 63.489 0.000 . . . . . . 199 s CA . 26805 1 841 . 1 1 199 199 SER N N 15 114.040 0.000 . . . . . . 199 s N . 26805 1 842 . 1 1 200 200 ALA C C 13 176.887 0.000 . . . . . . 200 a C . 26805 1 843 . 1 1 200 200 ALA CA C 13 55.349 0.000 . . . . . . 200 a CA . 26805 1 844 . 1 1 200 200 ALA CB C 13 17.899 0.000 . . . . . . 200 a CB . 26805 1 845 . 1 1 200 200 ALA N N 15 125.607 0.000 . . . . . . 200 a N . 26805 1 846 . 1 1 201 201 VAL C C 13 178.933 0.000 . . . . . . 201 v C . 26805 1 847 . 1 1 201 201 VAL CA C 13 66.326 0.000 . . . . . . 201 v CA . 26805 1 848 . 1 1 201 201 VAL CB C 13 31.948 0.000 . . . . . . 201 v CB . 26805 1 849 . 1 1 201 201 VAL CG1 C 13 22.367 0.000 . . . . . . 201 v CG1 . 26805 1 850 . 1 1 201 201 VAL N N 15 114.452 0.000 . . . . . . 201 v N . 26805 1 851 . 1 1 204 204 HIS C C 13 173.538 0.000 . . . . . . 204 h C . 26805 1 852 . 1 1 204 204 HIS CA C 13 56.391 0.000 . . . . . . 204 h CA . 26805 1 853 . 1 1 205 205 ASN C C 13 175.211 0.000 . . . . . . 205 n C . 26805 1 854 . 1 1 205 205 ASN CA C 13 52.450 0.000 . . . . . . 205 n CA . 26805 1 855 . 1 1 205 205 ASN CB C 13 38.535 0.000 . . . . . . 205 n CB . 26805 1 856 . 1 1 205 205 ASN CG C 13 177.506 0.000 . . . . . . 205 n CG . 26805 1 857 . 1 1 205 205 ASN N N 15 116.610 0.000 . . . . . . 205 n N . 26805 1 858 . 1 1 205 205 ASN ND2 N 15 110.379 0.000 . . . . . . 205 n ND2 . 26805 1 859 . 1 1 206 206 PHE C C 13 176.315 0.000 . . . . . . 206 f C . 26805 1 860 . 1 1 206 206 PHE CA C 13 58.494 0.000 . . . . . . 206 f CA . 26805 1 861 . 1 1 206 206 PHE CB C 13 38.818 0.000 . . . . . . 206 f CB . 26805 1 862 . 1 1 206 206 PHE N N 15 124.349 0.000 . . . . . . 206 f N . 26805 1 863 . 1 1 207 207 SER C C 13 177.207 0.000 . . . . . . 207 s C . 26805 1 864 . 1 1 207 207 SER CA C 13 61.052 0.000 . . . . . . 207 s CA . 26805 1 865 . 1 1 207 207 SER CB C 13 63.067 0.000 . . . . . . 207 s CB . 26805 1 866 . 1 1 207 207 SER N N 15 119.413 0.000 . . . . . . 207 s N . 26805 1 867 . 1 1 208 208 ASN C C 13 175.685 0.000 . . . . . . 208 n C . 26805 1 868 . 1 1 208 208 ASN CA C 13 55.914 0.000 . . . . . . 208 n CA . 26805 1 869 . 1 1 208 208 ASN CB C 13 37.605 0.000 . . . . . . 208 n CB . 26805 1 870 . 1 1 208 208 ASN CG C 13 177.903 0.000 . . . . . . 208 n CG . 26805 1 871 . 1 1 208 208 ASN N N 15 120.703 0.000 . . . . . . 208 n N . 26805 1 872 . 1 1 210 210 TRP C C 13 177.692 0.000 . . . . . . 210 w C . 26805 1 873 . 1 1 210 210 TRP CA C 13 59.529 0.000 . . . . . . 210 w CA . 26805 1 874 . 1 1 210 210 TRP CB C 13 28.031 0.000 . . . . . . 210 w CB . 26805 1 875 . 1 1 210 210 TRP N N 15 115.181 0.000 . . . . . . 210 w N . 26805 1 876 . 1 1 211 211 ILE C C 13 176.361 0.000 . . . . . . 211 i C . 26805 1 877 . 1 1 211 211 ILE CA C 13 65.596 0.000 . . . . . . 211 i CA . 26805 1 878 . 1 1 211 211 ILE CB C 13 37.855 0.000 . . . . . . 211 i CB . 26805 1 879 . 1 1 211 211 ILE CG1 C 13 26.754 0.000 . . . . . . 211 i CG1 . 26805 1 880 . 1 1 211 211 ILE CG2 C 13 22.534 0.000 . . . . . . 211 i CG2 . 26805 1 881 . 1 1 211 211 ILE CD1 C 13 14.619 0.000 . . . . . . 211 i CD1 . 26805 1 882 . 1 1 211 211 ILE N N 15 124.129 0.000 . . . . . . 211 i N . 26805 1 883 . 1 1 212 212 PHE C C 13 174.248 0.000 . . . . . . 212 f C . 26805 1 884 . 1 1 212 212 PHE CA C 13 60.007 0.000 . . . . . . 212 f CA . 26805 1 885 . 1 1 212 212 PHE CB C 13 36.994 0.000 . . . . . . 212 f CB . 26805 1 886 . 1 1 212 212 PHE N N 15 116.354 0.000 . . . . . . 212 f N . 26805 1 887 . 1 1 213 213 TRP C C 13 175.664 0.000 . . . . . . 213 w C . 26805 1 888 . 1 1 213 213 TRP CA C 13 59.908 0.000 . . . . . . 213 w CA . 26805 1 889 . 1 1 213 213 TRP CB C 13 31.328 0.000 . . . . . . 213 w CB . 26805 1 890 . 1 1 213 213 TRP N N 15 117.002 0.000 . . . . . . 213 w N . 26805 1 891 . 1 1 214 214 VAL C C 13 177.179 0.000 . . . . . . 214 v C . 26805 1 892 . 1 1 214 214 VAL CA C 13 67.416 0.000 . . . . . . 214 v CA . 26805 1 893 . 1 1 214 214 VAL CB C 13 32.552 0.000 . . . . . . 214 v CB . 26805 1 894 . 1 1 214 214 VAL CG1 C 13 24.613 0.000 . . . . . . 214 v CG1 . 26805 1 895 . 1 1 214 214 VAL CG2 C 13 22.525 0.000 . . . . . . 214 v CG2 . 26805 1 896 . 1 1 214 214 VAL N N 15 117.102 0.000 . . . . . . 214 v N . 26805 1 897 . 1 1 215 215 GLY C C 13 173.636 0.000 . . . . . . 215 g C . 26805 1 898 . 1 1 215 215 GLY CA C 13 48.531 0.000 . . . . . . 215 g CA . 26805 1 899 . 1 1 215 215 GLY N N 15 104.726 0.000 . . . . . . 215 g N . 26805 1 900 . 1 1 216 216 PRO C C 13 178.824 0.000 . . . . . . 216 p C . 26805 1 901 . 1 1 216 216 PRO CA C 13 64.638 0.000 . . . . . . 216 p CA . 26805 1 902 . 1 1 216 216 PRO CB C 13 32.552 0.000 . . . . . . 216 p CB . 26805 1 903 . 1 1 216 216 PRO CG C 13 27.906 0.000 . . . . . . 216 p CG . 26805 1 904 . 1 1 216 216 PRO CD C 13 51.857 0.000 . . . . . . 216 p CD . 26805 1 905 . 1 1 216 216 PRO N N 15 134.320 0.000 . . . . . . 216 p N . 26805 1 906 . 1 1 217 217 PHE C C 13 178.005 0.000 . . . . . . 217 f C . 26805 1 907 . 1 1 217 217 PHE CA C 13 58.571 0.000 . . . . . . 217 f CA . 26805 1 908 . 1 1 217 217 PHE CB C 13 36.710 0.000 . . . . . . 217 f CB . 26805 1 909 . 1 1 217 217 PHE N N 15 115.397 0.000 . . . . . . 217 f N . 26805 1 910 . 1 1 218 218 ILE C C 13 178.489 0.000 . . . . . . 218 i C . 26805 1 911 . 1 1 218 218 ILE CA C 13 66.548 0.000 . . . . . . 218 i CA . 26805 1 912 . 1 1 218 218 ILE CB C 13 37.541 0.000 . . . . . . 218 i CB . 26805 1 913 . 1 1 218 218 ILE CG1 C 13 29.903 0.000 . . . . . . 218 i CG1 . 26805 1 914 . 1 1 218 218 ILE CG2 C 13 17.556 0.000 . . . . . . 218 i CG2 . 26805 1 915 . 1 1 218 218 ILE CD1 C 13 14.723 0.000 . . . . . . 218 i CD1 . 26805 1 916 . 1 1 218 218 ILE N N 15 119.475 0.000 . . . . . . 218 i N . 26805 1 917 . 1 1 219 219 GLY C C 13 175.748 0.000 . . . . . . 219 g C . 26805 1 918 . 1 1 219 219 GLY CA C 13 49.054 0.000 . . . . . . 219 g CA . 26805 1 919 . 1 1 219 219 GLY N N 15 105.972 0.000 . . . . . . 219 g N . 26805 1 920 . 1 1 220 220 GLY C C 13 174.292 0.000 . . . . . . 220 g C . 26805 1 921 . 1 1 220 220 GLY CA C 13 47.251 0.000 . . . . . . 220 g CA . 26805 1 922 . 1 1 220 220 GLY N N 15 108.018 0.000 . . . . . . 220 g N . 26805 1 923 . 1 1 221 221 ALA C C 13 179.946 0.000 . . . . . . 221 a C . 26805 1 924 . 1 1 221 221 ALA CA C 13 55.455 0.000 . . . . . . 221 a CA . 26805 1 925 . 1 1 221 221 ALA CB C 13 18.362 0.000 . . . . . . 221 a CB . 26805 1 926 . 1 1 221 221 ALA N N 15 122.452 0.000 . . . . . . 221 a N . 26805 1 927 . 1 1 222 222 LEU C C 13 178.980 0.000 . . . . . . 222 l C . 26805 1 928 . 1 1 222 222 LEU CA C 13 57.502 0.000 . . . . . . 222 l CA . 26805 1 929 . 1 1 222 222 LEU CB C 13 42.484 0.000 . . . . . . 222 l CB . 26805 1 930 . 1 1 222 222 LEU CG C 13 26.519 0.000 . . . . . . 222 l CG . 26805 1 931 . 1 1 222 222 LEU CD1 C 13 22.912 0.000 . . . . . . 222 l CD1 . 26805 1 932 . 1 1 222 222 LEU N N 15 116.164 0.000 . . . . . . 222 l N . 26805 1 933 . 1 1 223 223 ALA C C 13 178.703 0.000 . . . . . . 223 a C . 26805 1 934 . 1 1 223 223 ALA CA C 13 56.185 0.000 . . . . . . 223 a CA . 26805 1 935 . 1 1 223 223 ALA CB C 13 18.977 0.000 . . . . . . 223 a CB . 26805 1 936 . 1 1 223 223 ALA N N 15 121.574 0.000 . . . . . . 223 a N . 26805 1 937 . 1 1 224 224 VAL C C 13 178.367 0.000 . . . . . . 224 v C . 26805 1 938 . 1 1 224 224 VAL CA C 13 66.770 0.000 . . . . . . 224 v CA . 26805 1 939 . 1 1 224 224 VAL CB C 13 31.665 0.000 . . . . . . 224 v CB . 26805 1 940 . 1 1 224 224 VAL CG1 C 13 21.486 0.000 . . . . . . 224 v CG1 . 26805 1 941 . 1 1 224 224 VAL CG2 C 13 24.731 0.000 . . . . . . 224 v CG2 . 26805 1 942 . 1 1 224 224 VAL N N 15 117.815 0.000 . . . . . . 224 v N . 26805 1 943 . 1 1 225 225 LEU C C 13 179.369 0.000 . . . . . . 225 l C . 26805 1 944 . 1 1 225 225 LEU CA C 13 58.501 0.000 . . . . . . 225 l CA . 26805 1 945 . 1 1 225 225 LEU CB C 13 42.303 0.000 . . . . . . 225 l CB . 26805 1 946 . 1 1 225 225 LEU CG C 13 27.306 0.000 . . . . . . 225 l CG . 26805 1 947 . 1 1 225 225 LEU N N 15 119.287 0.000 . . . . . . 225 l N . 26805 1 948 . 1 1 226 226 ILE C C 13 176.961 0.000 . . . . . . 226 i C . 26805 1 949 . 1 1 226 226 ILE CA C 13 65.642 0.000 . . . . . . 226 i CA . 26805 1 950 . 1 1 226 226 ILE CB C 13 38.670 0.000 . . . . . . 226 i CB . 26805 1 951 . 1 1 226 226 ILE N N 15 115.551 0.000 . . . . . . 226 i N . 26805 1 stop_ save_