data_51179 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51179 _Entry.Title ; Alpha X I domain NMR backbone assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-16 _Entry.Accession_date 2021-11-16 _Entry.Last_release_date 2021-11-17 _Entry.Original_release_date 2021-11-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Triple resonance data for the integrin alpha x residues 131-319. Assigned are the amide nitrogen, amide H-N, Ca, Cb, and carbonyl C'. ; _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 Omar Abousaway . B. . 0000-0003-1336-6127 51179 2 Zahra Mazhar . . . . 51179 3 Collins Aboagye . . . . 51179 4 Mehmet Sen . . . . 51179 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51179 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 514 51179 '15N chemical shifts' 167 51179 '1H chemical shifts' 167 51179 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-09-09 2021-11-16 update BMRB 'update entry citation' 51179 1 . . 2021-12-16 2021-11-16 original author 'original release' 51179 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51179 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36001965 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Heterotropic roles of divalent cations in the establishment of allostery and affinity maturation of integrin aXb2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full 'Cell reports' _Citation.Journal_volume 40 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2211-1247 _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 111254 _Citation.Page_last 111254 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pragya Manandhar . . . . 51179 1 2 Omar Abousaway . B. . . 51179 1 3 Zahra Mazhar . . . . 51179 1 4 Zeinab Moussa . . . . 51179 1 5 Collins Aboagye . . . . 51179 1 6 Daniel Lim . . . . 51179 1 7 Tannon Yu . . . . 51179 1 8 James Byrnes . . . . 51179 1 9 James Briggs . . . . 51179 1 10 Mehmet Sen . . . . 51179 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51179 _Assembly.ID 1 _Assembly.Name 'human alpha X integrin I domain bound to Mg2+' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 21367.55 _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 alpha X integrin' 1 $entity_1 . . yes native no no . . . 51179 1 2 'Mg2+ ion' 2 $entity_MG . . no native no no . . . 51179 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1n3y . . X-ray 0.209 'The same protein, isolated in the closed conformational state.' . 51179 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51179 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QDIVFLIDGSGSISSRNFAT MMNFVRAVISQFQRPSTQFS LMQFSNKFQTHFTFEEFRRS SNPLSLLASVHQLQGFTYTA TAIQNVVHRLFHASYGARRD ATKILIVITDGKKEGDSLDY KDVIPMADAAGIIRYAIGVG LAFQNRNSWKELNDIASKPS QEHIFKVEDFDALKDIQNQL KEKIFAIEG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 189 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'alpha I domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21343.25 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI 3687 . ITGAX . . . . . . . . . . . . . . 51179 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Ligand biding domain of the CD11c integrin. This integrin is capable of binding complement proteins such as iC3b.' 51179 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 131 GLN . 51179 1 2 132 ASP . 51179 1 3 133 ILE . 51179 1 4 134 VAL . 51179 1 5 135 PHE . 51179 1 6 136 LEU . 51179 1 7 137 ILE . 51179 1 8 138 ASP . 51179 1 9 139 GLY . 51179 1 10 140 SER . 51179 1 11 141 GLY . 51179 1 12 142 SER . 51179 1 13 143 ILE . 51179 1 14 144 SER . 51179 1 15 145 SER . 51179 1 16 146 ARG . 51179 1 17 147 ASN . 51179 1 18 148 PHE . 51179 1 19 149 ALA . 51179 1 20 150 THR . 51179 1 21 151 MET . 51179 1 22 152 MET . 51179 1 23 153 ASN . 51179 1 24 154 PHE . 51179 1 25 155 VAL . 51179 1 26 156 ARG . 51179 1 27 157 ALA . 51179 1 28 158 VAL . 51179 1 29 159 ILE . 51179 1 30 160 SER . 51179 1 31 161 GLN . 51179 1 32 162 PHE . 51179 1 33 163 GLN . 51179 1 34 164 ARG . 51179 1 35 165 PRO . 51179 1 36 166 SER . 51179 1 37 167 THR . 51179 1 38 168 GLN . 51179 1 39 169 PHE . 51179 1 40 170 SER . 51179 1 41 171 LEU . 51179 1 42 172 MET . 51179 1 43 173 GLN . 51179 1 44 174 PHE . 51179 1 45 175 SER . 51179 1 46 176 ASN . 51179 1 47 177 LYS . 51179 1 48 178 PHE . 51179 1 49 179 GLN . 51179 1 50 180 THR . 51179 1 51 181 HIS . 51179 1 52 182 PHE . 51179 1 53 183 THR . 51179 1 54 184 PHE . 51179 1 55 185 GLU . 51179 1 56 186 GLU . 51179 1 57 187 PHE . 51179 1 58 188 ARG . 51179 1 59 189 ARG . 51179 1 60 190 SER . 51179 1 61 191 SER . 51179 1 62 192 ASN . 51179 1 63 193 PRO . 51179 1 64 194 LEU . 51179 1 65 195 SER . 51179 1 66 196 LEU . 51179 1 67 197 LEU . 51179 1 68 198 ALA . 51179 1 69 199 SER . 51179 1 70 200 VAL . 51179 1 71 201 HIS . 51179 1 72 202 GLN . 51179 1 73 203 LEU . 51179 1 74 204 GLN . 51179 1 75 205 GLY . 51179 1 76 206 PHE . 51179 1 77 207 THR . 51179 1 78 208 TYR . 51179 1 79 209 THR . 51179 1 80 210 ALA . 51179 1 81 211 THR . 51179 1 82 212 ALA . 51179 1 83 213 ILE . 51179 1 84 214 GLN . 51179 1 85 215 ASN . 51179 1 86 216 VAL . 51179 1 87 217 VAL . 51179 1 88 218 HIS . 51179 1 89 219 ARG . 51179 1 90 220 LEU . 51179 1 91 221 PHE . 51179 1 92 222 HIS . 51179 1 93 223 ALA . 51179 1 94 224 SER . 51179 1 95 225 TYR . 51179 1 96 226 GLY . 51179 1 97 227 ALA . 51179 1 98 228 ARG . 51179 1 99 229 ARG . 51179 1 100 230 ASP . 51179 1 101 231 ALA . 51179 1 102 232 THR . 51179 1 103 233 LYS . 51179 1 104 234 ILE . 51179 1 105 235 LEU . 51179 1 106 236 ILE . 51179 1 107 237 VAL . 51179 1 108 238 ILE . 51179 1 109 239 THR . 51179 1 110 240 ASP . 51179 1 111 241 GLY . 51179 1 112 242 LYS . 51179 1 113 243 LYS . 51179 1 114 244 GLU . 51179 1 115 245 GLY . 51179 1 116 246 ASP . 51179 1 117 247 SER . 51179 1 118 248 LEU . 51179 1 119 249 ASP . 51179 1 120 250 TYR . 51179 1 121 251 LYS . 51179 1 122 252 ASP . 51179 1 123 253 VAL . 51179 1 124 254 ILE . 51179 1 125 255 PRO . 51179 1 126 256 MET . 51179 1 127 257 ALA . 51179 1 128 258 ASP . 51179 1 129 259 ALA . 51179 1 130 260 ALA . 51179 1 131 261 GLY . 51179 1 132 262 ILE . 51179 1 133 263 ILE . 51179 1 134 264 ARG . 51179 1 135 265 TYR . 51179 1 136 266 ALA . 51179 1 137 267 ILE . 51179 1 138 268 GLY . 51179 1 139 269 VAL . 51179 1 140 270 GLY . 51179 1 141 271 LEU . 51179 1 142 272 ALA . 51179 1 143 273 PHE . 51179 1 144 274 GLN . 51179 1 145 275 ASN . 51179 1 146 276 ARG . 51179 1 147 277 ASN . 51179 1 148 278 SER . 51179 1 149 279 TRP . 51179 1 150 280 LYS . 51179 1 151 281 GLU . 51179 1 152 282 LEU . 51179 1 153 283 ASN . 51179 1 154 284 ASP . 51179 1 155 285 ILE . 51179 1 156 286 ALA . 51179 1 157 287 SER . 51179 1 158 288 LYS . 51179 1 159 289 PRO . 51179 1 160 290 SER . 51179 1 161 291 GLN . 51179 1 162 292 GLU . 51179 1 163 293 HIS . 51179 1 164 294 ILE . 51179 1 165 295 PHE . 51179 1 166 296 LYS . 51179 1 167 297 VAL . 51179 1 168 298 GLU . 51179 1 169 299 ASP . 51179 1 170 300 PHE . 51179 1 171 301 ASP . 51179 1 172 302 ALA . 51179 1 173 303 LEU . 51179 1 174 304 LYS . 51179 1 175 305 ASP . 51179 1 176 306 ILE . 51179 1 177 307 GLN . 51179 1 178 308 ASN . 51179 1 179 309 GLN . 51179 1 180 310 LEU . 51179 1 181 311 LYS . 51179 1 182 312 GLU . 51179 1 183 313 LYS . 51179 1 184 314 ILE . 51179 1 185 315 PHE . 51179 1 186 316 ALA . 51179 1 187 317 ILE . 51179 1 188 318 GLU . 51179 1 189 319 GLY . 51179 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 . GLN 1 1 51179 1 . ASP 2 2 51179 1 . ILE 3 3 51179 1 . VAL 4 4 51179 1 . PHE 5 5 51179 1 . LEU 6 6 51179 1 . ILE 7 7 51179 1 . ASP 8 8 51179 1 . GLY 9 9 51179 1 . SER 10 10 51179 1 . GLY 11 11 51179 1 . SER 12 12 51179 1 . ILE 13 13 51179 1 . SER 14 14 51179 1 . SER 15 15 51179 1 . ARG 16 16 51179 1 . ASN 17 17 51179 1 . PHE 18 18 51179 1 . ALA 19 19 51179 1 . THR 20 20 51179 1 . MET 21 21 51179 1 . MET 22 22 51179 1 . ASN 23 23 51179 1 . PHE 24 24 51179 1 . VAL 25 25 51179 1 . ARG 26 26 51179 1 . ALA 27 27 51179 1 . VAL 28 28 51179 1 . ILE 29 29 51179 1 . SER 30 30 51179 1 . GLN 31 31 51179 1 . PHE 32 32 51179 1 . GLN 33 33 51179 1 . ARG 34 34 51179 1 . PRO 35 35 51179 1 . SER 36 36 51179 1 . THR 37 37 51179 1 . GLN 38 38 51179 1 . PHE 39 39 51179 1 . SER 40 40 51179 1 . LEU 41 41 51179 1 . MET 42 42 51179 1 . GLN 43 43 51179 1 . PHE 44 44 51179 1 . SER 45 45 51179 1 . ASN 46 46 51179 1 . LYS 47 47 51179 1 . PHE 48 48 51179 1 . GLN 49 49 51179 1 . THR 50 50 51179 1 . HIS 51 51 51179 1 . PHE 52 52 51179 1 . THR 53 53 51179 1 . PHE 54 54 51179 1 . GLU 55 55 51179 1 . GLU 56 56 51179 1 . PHE 57 57 51179 1 . ARG 58 58 51179 1 . ARG 59 59 51179 1 . SER 60 60 51179 1 . SER 61 61 51179 1 . ASN 62 62 51179 1 . PRO 63 63 51179 1 . LEU 64 64 51179 1 . SER 65 65 51179 1 . LEU 66 66 51179 1 . LEU 67 67 51179 1 . ALA 68 68 51179 1 . SER 69 69 51179 1 . VAL 70 70 51179 1 . HIS 71 71 51179 1 . GLN 72 72 51179 1 . LEU 73 73 51179 1 . GLN 74 74 51179 1 . GLY 75 75 51179 1 . PHE 76 76 51179 1 . THR 77 77 51179 1 . TYR 78 78 51179 1 . THR 79 79 51179 1 . ALA 80 80 51179 1 . THR 81 81 51179 1 . ALA 82 82 51179 1 . ILE 83 83 51179 1 . GLN 84 84 51179 1 . ASN 85 85 51179 1 . VAL 86 86 51179 1 . VAL 87 87 51179 1 . HIS 88 88 51179 1 . ARG 89 89 51179 1 . LEU 90 90 51179 1 . PHE 91 91 51179 1 . HIS 92 92 51179 1 . ALA 93 93 51179 1 . SER 94 94 51179 1 . TYR 95 95 51179 1 . GLY 96 96 51179 1 . ALA 97 97 51179 1 . ARG 98 98 51179 1 . ARG 99 99 51179 1 . ASP 100 100 51179 1 . ALA 101 101 51179 1 . THR 102 102 51179 1 . LYS 103 103 51179 1 . ILE 104 104 51179 1 . LEU 105 105 51179 1 . ILE 106 106 51179 1 . VAL 107 107 51179 1 . ILE 108 108 51179 1 . THR 109 109 51179 1 . ASP 110 110 51179 1 . GLY 111 111 51179 1 . LYS 112 112 51179 1 . LYS 113 113 51179 1 . GLU 114 114 51179 1 . GLY 115 115 51179 1 . ASP 116 116 51179 1 . SER 117 117 51179 1 . LEU 118 118 51179 1 . ASP 119 119 51179 1 . TYR 120 120 51179 1 . LYS 121 121 51179 1 . ASP 122 122 51179 1 . VAL 123 123 51179 1 . ILE 124 124 51179 1 . PRO 125 125 51179 1 . MET 126 126 51179 1 . ALA 127 127 51179 1 . ASP 128 128 51179 1 . ALA 129 129 51179 1 . ALA 130 130 51179 1 . GLY 131 131 51179 1 . ILE 132 132 51179 1 . ILE 133 133 51179 1 . ARG 134 134 51179 1 . TYR 135 135 51179 1 . ALA 136 136 51179 1 . ILE 137 137 51179 1 . GLY 138 138 51179 1 . VAL 139 139 51179 1 . GLY 140 140 51179 1 . LEU 141 141 51179 1 . ALA 142 142 51179 1 . PHE 143 143 51179 1 . GLN 144 144 51179 1 . ASN 145 145 51179 1 . ARG 146 146 51179 1 . ASN 147 147 51179 1 . SER 148 148 51179 1 . TRP 149 149 51179 1 . LYS 150 150 51179 1 . GLU 151 151 51179 1 . LEU 152 152 51179 1 . ASN 153 153 51179 1 . ASP 154 154 51179 1 . ILE 155 155 51179 1 . ALA 156 156 51179 1 . SER 157 157 51179 1 . LYS 158 158 51179 1 . PRO 159 159 51179 1 . SER 160 160 51179 1 . GLN 161 161 51179 1 . GLU 162 162 51179 1 . HIS 163 163 51179 1 . ILE 164 164 51179 1 . PHE 165 165 51179 1 . LYS 166 166 51179 1 . VAL 167 167 51179 1 . GLU 168 168 51179 1 . ASP 169 169 51179 1 . PHE 170 170 51179 1 . ASP 171 171 51179 1 . ALA 172 172 51179 1 . LEU 173 173 51179 1 . LYS 174 174 51179 1 . ASP 175 175 51179 1 . ILE 176 176 51179 1 . GLN 177 177 51179 1 . ASN 178 178 51179 1 . GLN 179 179 51179 1 . LEU 180 180 51179 1 . LYS 181 181 51179 1 . GLU 182 182 51179 1 . LYS 183 183 51179 1 . ILE 184 184 51179 1 . PHE 185 185 51179 1 . ALA 186 186 51179 1 . ILE 187 187 51179 1 . GLU 188 188 51179 1 . GLY 189 189 51179 1 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 51179 _Entity.ID 2 _Entity.BMRB_code MG _Entity.Name entity_MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 51179 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 51179 2 MG 'Three letter code' 51179 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MG $chem_comp_MG 51179 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51179 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . ITGAX . 51179 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51179 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' Rosetta . plasmid . . pet28a . . . 51179 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 51179 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 51179 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 51179 MG [Mg++] SMILES CACTVS 3.341 51179 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 51179 MG [Mg+2] SMILES ACDLabs 10.04 51179 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 51179 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51179 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 51179 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51179 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG MG MG MG . MG . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 51179 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51179 _Sample.ID 1 _Sample.Name 'human alpha X integrin bound to Mg2+' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O 5%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 alpha x integrin ligand binding domain' '[U-100% 15N]' . . 1 $entity_1 . . 10 . . mg/mL . . . . 51179 1 2 magnesium 'natural abundance' . . 2 $entity_MG . . 1 . . mM . . . . 51179 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 51179 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR sample conditions' _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' 2 . mM 51179 1 pH 6.0 . pH 51179 1 pressure 1 . atm 51179 1 temperature 293 . K 51179 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51179 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51179 1 'peak picking' . 51179 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51179 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51179 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51179 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 800MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51179 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51179 1 2 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51179 1 3 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51179 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51179 1 5 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51179 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 51179 _Computing_platform.ID 1 _Computing_platform.Name 'Open Science Grid' _Computing_platform.Reference_ID . _Computing_platform.Site 'Topspin 2.0 in the University of Houston biomolecular NMR facility' _Computing_platform.Site_reference_ID . _Computing_platform.Details 'NMRpipe and Sparky were used to process and analyze the data, respectively' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51179 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Shift reference set' _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 water 'methyl carbons' . . . . ppm 0 internal direct 1 . . . . . 51179 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51179 1 N 15 water nitrogen . . . . ppm 0 internal direct 1 . . . . . 51179 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51179 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Alpha X I domain in complex with magnesium chemical shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HN(CA)CO' . . . 51179 1 3 '3D HNCO' . . . 51179 1 4 '3D HNCA' . . . 51179 1 5 '3D HN(CO)CA' . . . 51179 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51179 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLN H H 1 7.82861001748277 . . . . . . . . 131 Q HN . 51179 1 2 . 1 . 1 1 1 GLN C C 13 169.594070034066 . . . . . . . . 131 Q C . 51179 1 3 . 1 . 1 1 1 GLN CA C 13 56.8862899112663 . . . . . . . . 131 Q CA . 51179 1 4 . 1 . 1 1 1 GLN CB C 13 33.1002899112663 . . . . . . . . 131 Q CB . 51179 1 5 . 1 . 1 1 1 GLN N N 15 119.128367961764 . . . . . . . . 131 Q N . 51179 1 6 . 1 . 1 2 2 ASP H H 1 8.87661001748277 . . . . . . . . 132 D HN . 51179 1 7 . 1 . 1 2 2 ASP C C 13 170.600070034066 . . . . . . . . 132 D C . 51179 1 8 . 1 . 1 2 2 ASP CA C 13 55.0902899112663 . . . . . . . . 132 D CA . 51179 1 9 . 1 . 1 2 2 ASP CB C 13 43.3072899112663 . . . . . . . . 132 D CB . 51179 1 10 . 1 . 1 2 2 ASP N N 15 127.880367961764 . . . . . . . . 132 D N . 51179 1 11 . 1 . 1 3 3 ILE H H 1 8.14161001748277 . . . . . . . . 133 I HN . 51179 1 12 . 1 . 1 3 3 ILE C C 13 171.517070034066 . . . . . . . . 133 I C . 51179 1 13 . 1 . 1 3 3 ILE CA C 13 62.5442899112663 . . . . . . . . 133 I CA . 51179 1 14 . 1 . 1 3 3 ILE CB C 13 39.6202899112663 . . . . . . . . 133 I CB . 51179 1 15 . 1 . 1 3 3 ILE N N 15 122.129367961764 . . . . . . . . 133 I N . 51179 1 16 . 1 . 1 4 4 VAL C C 13 173.741070034066 . . . . . . . . 134 V C . 51179 1 17 . 1 . 1 4 4 VAL CA C 13 62.2952899112663 . . . . . . . . 134 V CA . 51179 1 18 . 1 . 1 5 5 PHE H H 1 8.45561001748277 . . . . . . . . 135 F HN . 51179 1 19 . 1 . 1 5 5 PHE C C 13 170.376070034066 . . . . . . . . 135 F C . 51179 1 20 . 1 . 1 5 5 PHE CA C 13 32.4092899112663 . . . . . . . . 135 F CA . 51179 1 21 . 1 . 1 5 5 PHE N N 15 124.184367961764 . . . . . . . . 135 F N . 51179 1 22 . 1 . 1 6 6 LEU H H 1 9.41661001748277 . . . . . . . . 136 L HN . 51179 1 23 . 1 . 1 6 6 LEU CA C 13 55.3742899112663 . . . . . . . . 136 L CA . 51179 1 24 . 1 . 1 6 6 LEU CB C 13 47.0622899112663 . . . . . . . . 136 L CB . 51179 1 25 . 1 . 1 6 6 LEU N N 15 126.936367961764 . . . . . . . . 136 L N . 51179 1 26 . 1 . 1 7 7 ILE C C 13 173.748070034066 . . . . . . . . 137 I C . 51179 1 27 . 1 . 1 7 7 ILE CA C 13 65.8702899112664 . . . . . . . . 137 I CA . 51179 1 28 . 1 . 1 8 8 ASP H H 1 8.25461001748277 . . . . . . . . 138 D HN . 51179 1 29 . 1 . 1 8 8 ASP C C 13 172.887070034066 . . . . . . . . 138 D C . 51179 1 30 . 1 . 1 8 8 ASP CA C 13 58.6762899112663 . . . . . . . . 138 D CA . 51179 1 31 . 1 . 1 8 8 ASP N N 15 125.048367961764 . . . . . . . . 138 D N . 51179 1 32 . 1 . 1 9 9 GLY H H 1 7.72561001748277 . . . . . . . . 139 G HN . 51179 1 33 . 1 . 1 9 9 GLY CA C 13 48.4622899112663 . . . . . . . . 139 G CA . 51179 1 34 . 1 . 1 9 9 GLY N N 15 115.402367961764 . . . . . . . . 139 G N . 51179 1 35 . 1 . 1 10 10 SER H H 1 9.33061001748277 . . . . . . . . 140 S HN . 51179 1 36 . 1 . 1 10 10 SER C C 13 172.136070034066 . . . . . . . . 140 S C . 51179 1 37 . 1 . 1 10 10 SER CA C 13 60.7542899112663 . . . . . . . . 140 S CA . 51179 1 38 . 1 . 1 10 10 SER N N 15 115.537367961764 . . . . . . . . 140 S N . 51179 1 39 . 1 . 1 11 11 GLY H H 1 8.41361001748277 . . . . . . . . 141 G HN . 51179 1 40 . 1 . 1 11 11 GLY C C 13 170.793070034066 . . . . . . . . 141 G C . 51179 1 41 . 1 . 1 11 11 GLY CA C 13 48.2122899112663 . . . . . . . . 141 G CA . 51179 1 42 . 1 . 1 11 11 GLY N N 15 104.248367961764 . . . . . . . . 141 G N . 51179 1 43 . 1 . 1 12 12 SER C C 13 171.120070034066 . . . . . . . . 142 S C . 51179 1 44 . 1 . 1 13 13 ILE H H 1 7.44961001748277 . . . . . . . . 143 I HN . 51179 1 45 . 1 . 1 13 13 ILE C C 13 172.596070034066 . . . . . . . . 143 I C . 51179 1 46 . 1 . 1 13 13 ILE CA C 13 64.6532899112663 . . . . . . . . 143 I CA . 51179 1 47 . 1 . 1 13 13 ILE N N 15 126.133367961764 . . . . . . . . 143 I N . 51179 1 48 . 1 . 1 14 14 SER H H 1 8.37561001748277 . . . . . . . . 144 S HN . 51179 1 49 . 1 . 1 14 14 SER C C 13 171.382070034066 . . . . . . . . 144 S C . 51179 1 50 . 1 . 1 14 14 SER CA C 13 59.4912899112663 . . . . . . . . 144 S CA . 51179 1 51 . 1 . 1 14 14 SER CB C 13 67.2312899112663 . . . . . . . . 144 S CB . 51179 1 52 . 1 . 1 14 14 SER N N 15 123.569367961764 . . . . . . . . 144 S N . 51179 1 53 . 1 . 1 15 15 SER H H 1 8.88861001748277 . . . . . . . . 145 S HN . 51179 1 54 . 1 . 1 15 15 SER C C 13 175.317070034066 . . . . . . . . 145 S C . 51179 1 55 . 1 . 1 15 15 SER CA C 13 63.9902899112663 . . . . . . . . 145 S CA . 51179 1 56 . 1 . 1 15 15 SER CB C 13 64.8322899112663 . . . . . . . . 145 S CB . 51179 1 57 . 1 . 1 15 15 SER N N 15 116.865367961764 . . . . . . . . 145 S N . 51179 1 58 . 1 . 1 16 16 ARG H H 1 8.22061001748277 . . . . . . . . 146 R HN . 51179 1 59 . 1 . 1 16 16 ARG C C 13 175.325070034066 . . . . . . . . 146 R C . 51179 1 60 . 1 . 1 16 16 ARG CA C 13 61.1572899112663 . . . . . . . . 146 R CA . 51179 1 61 . 1 . 1 16 16 ARG CB C 13 31.8452899112663 . . . . . . . . 146 R CB . 51179 1 62 . 1 . 1 16 16 ARG N N 15 122.059367961764 . . . . . . . . 146 R N . 51179 1 63 . 1 . 1 17 17 ASN H H 1 7.38161001748277 . . . . . . . . 147 N HN . 51179 1 64 . 1 . 1 17 17 ASN C C 13 173.220070034066 . . . . . . . . 147 N C . 51179 1 65 . 1 . 1 17 17 ASN CA C 13 57.3262899112663 . . . . . . . . 147 N CA . 51179 1 66 . 1 . 1 17 17 ASN CB C 13 39.3852899112663 . . . . . . . . 147 N CB . 51179 1 67 . 1 . 1 17 17 ASN N N 15 119.015367961764 . . . . . . . . 147 N N . 51179 1 68 . 1 . 1 18 18 PHE H H 1 8.88861001748277 . . . . . . . . 148 F HN . 51179 1 69 . 1 . 1 18 18 PHE C C 13 174.186070034066 . . . . . . . . 148 F C . 51179 1 70 . 1 . 1 18 18 PHE CA C 13 64.8402899112663 . . . . . . . . 148 F CA . 51179 1 71 . 1 . 1 18 18 PHE CB C 13 40.8702899112663 . . . . . . . . 148 F CB . 51179 1 72 . 1 . 1 18 18 PHE N N 15 123.616367961764 . . . . . . . . 148 F N . 51179 1 73 . 1 . 1 19 19 ALA H H 1 7.54361001748277 . . . . . . . . 149 A HN . 51179 1 74 . 1 . 1 19 19 ALA C C 13 177.780070034066 . . . . . . . . 149 A C . 51179 1 75 . 1 . 1 19 19 ALA CA C 13 57.7932899112663 . . . . . . . . 149 A CA . 51179 1 76 . 1 . 1 19 19 ALA CB C 13 19.3312899112663 . . . . . . . . 149 A CB . 51179 1 77 . 1 . 1 19 19 ALA N N 15 120.152367961764 . . . . . . . . 149 A N . 51179 1 78 . 1 . 1 20 20 THR H H 1 7.95561001748277 . . . . . . . . 150 T HN . 51179 1 79 . 1 . 1 20 20 THR C C 13 174.410070034066 . . . . . . . . 150 T C . 51179 1 80 . 1 . 1 20 20 THR CA C 13 68.7412899112664 . . . . . . . . 150 T CA . 51179 1 81 . 1 . 1 20 20 THR CB C 13 69.9282899112663 . . . . . . . . 150 T CB . 51179 1 82 . 1 . 1 20 20 THR N N 15 118.227367961764 . . . . . . . . 150 T N . 51179 1 83 . 1 . 1 21 21 MET H H 1 8.39461001748277 . . . . . . . . 151 M HN . 51179 1 84 . 1 . 1 21 21 MET C C 13 174.650070034066 . . . . . . . . 151 M C . 51179 1 85 . 1 . 1 21 21 MET CA C 13 62.2142899112663 . . . . . . . . 151 M CA . 51179 1 86 . 1 . 1 21 21 MET CB C 13 34.1682899112663 . . . . . . . . 151 M CB . 51179 1 87 . 1 . 1 21 21 MET N N 15 124.746367961764 . . . . . . . . 151 M N . 51179 1 88 . 1 . 1 22 22 MET H H 1 8.04161001748277 . . . . . . . . 152 M HN . 51179 1 89 . 1 . 1 22 22 MET C C 13 176.518070034066 . . . . . . . . 152 M C . 51179 1 90 . 1 . 1 22 22 MET CA C 13 57.7882899112663 . . . . . . . . 152 M CA . 51179 1 91 . 1 . 1 22 22 MET CB C 13 29.9242899112663 . . . . . . . . 152 M CB . 51179 1 92 . 1 . 1 22 22 MET N N 15 117.530367961764 . . . . . . . . 152 M N . 51179 1 93 . 1 . 1 23 23 ASN H H 1 8.11961001748277 . . . . . . . . 153 N HN . 51179 1 94 . 1 . 1 23 23 ASN C C 13 174.961070034066 . . . . . . . . 153 N C . 51179 1 95 . 1 . 1 23 23 ASN CA C 13 57.8982899112663 . . . . . . . . 153 N CA . 51179 1 96 . 1 . 1 23 23 ASN CB C 13 39.6062899112663 . . . . . . . . 153 N CB . 51179 1 97 . 1 . 1 23 23 ASN N N 15 119.661367961764 . . . . . . . . 153 N N . 51179 1 98 . 1 . 1 24 24 PHE H H 1 7.62661001748277 . . . . . . . . 154 F HN . 51179 1 99 . 1 . 1 24 24 PHE C C 13 172.348070034066 . . . . . . . . 154 F C . 51179 1 100 . 1 . 1 24 24 PHE CA C 13 62.8522899112663 . . . . . . . . 154 F CA . 51179 1 101 . 1 . 1 24 24 PHE CB C 13 40.1172899112663 . . . . . . . . 154 F CB . 51179 1 102 . 1 . 1 24 24 PHE N N 15 123.812367961764 . . . . . . . . 154 F N . 51179 1 103 . 1 . 1 25 25 VAL C C 13 172.508070034066 . . . . . . . . 155 V C . 51179 1 104 . 1 . 1 25 25 VAL CA C 13 65.3952899112664 . . . . . . . . 155 V CA . 51179 1 105 . 1 . 1 26 26 ARG H H 1 8.63361001748277 . . . . . . . . 156 R HN . 51179 1 106 . 1 . 1 26 26 ARG C C 13 169.935070034066 . . . . . . . . 156 R C . 51179 1 107 . 1 . 1 26 26 ARG CA C 13 59.1742899112663 . . . . . . . . 156 R CA . 51179 1 108 . 1 . 1 26 26 ARG N N 15 121.817367961764 . . . . . . . . 156 R N . 51179 1 109 . 1 . 1 27 27 ALA H H 1 8.03761001748277 . . . . . . . . 157 A HN . 51179 1 110 . 1 . 1 27 27 ALA C C 13 171.721070034066 . . . . . . . . 157 A C . 51179 1 111 . 1 . 1 27 27 ALA CA C 13 58.3562899112663 . . . . . . . . 157 A CA . 51179 1 112 . 1 . 1 27 27 ALA N N 15 109.609367961764 . . . . . . . . 157 A N . 51179 1 113 . 1 . 1 28 28 VAL C C 13 177.796070034066 . . . . . . . . 158 V C . 51179 1 114 . 1 . 1 28 28 VAL CA C 13 68.0732899112663 . . . . . . . . 158 V CA . 51179 1 115 . 1 . 1 29 29 ILE H H 1 7.95461001748277 . . . . . . . . 159 I HN . 51179 1 116 . 1 . 1 29 29 ILE C C 13 175.867070034066 . . . . . . . . 159 I C . 51179 1 117 . 1 . 1 29 29 ILE CA C 13 68.0732899112663 . . . . . . . . 159 I CA . 51179 1 118 . 1 . 1 29 29 ILE N N 15 118.492367961764 . . . . . . . . 159 I N . 51179 1 119 . 1 . 1 30 30 SER H H 1 7.70561001748277 . . . . . . . . 160 S HN . 51179 1 120 . 1 . 1 30 30 SER C C 13 171.679070034066 . . . . . . . . 160 S C . 51179 1 121 . 1 . 1 30 30 SER CA C 13 63.2432899112663 . . . . . . . . 160 S CA . 51179 1 122 . 1 . 1 30 30 SER CB C 13 65.8882899112663 . . . . . . . . 160 S CB . 51179 1 123 . 1 . 1 30 30 SER N N 15 111.398367961764 . . . . . . . . 160 S N . 51179 1 124 . 1 . 1 31 31 GLN H H 1 7.65761001748277 . . . . . . . . 161 Q HN . 51179 1 125 . 1 . 1 31 31 GLN C C 13 172.066070034066 . . . . . . . . 161 Q C . 51179 1 126 . 1 . 1 31 31 GLN CA C 13 58.2282899112663 . . . . . . . . 161 Q CA . 51179 1 127 . 1 . 1 31 31 GLN CB C 13 30.9582899112663 . . . . . . . . 161 Q CB . 51179 1 128 . 1 . 1 31 31 GLN N N 15 118.318367961764 . . . . . . . . 161 Q N . 51179 1 129 . 1 . 1 32 32 PHE H H 1 7.61261001748277 . . . . . . . . 162 F HN . 51179 1 130 . 1 . 1 32 32 PHE C C 13 172.251070034066 . . . . . . . . 162 F C . 51179 1 131 . 1 . 1 32 32 PHE CA C 13 59.7912899112663 . . . . . . . . 162 F CA . 51179 1 132 . 1 . 1 32 32 PHE CB C 13 44.1282899112663 . . . . . . . . 162 F CB . 51179 1 133 . 1 . 1 32 32 PHE N N 15 118.073367961764 . . . . . . . . 162 F N . 51179 1 134 . 1 . 1 33 33 GLN H H 1 9.00361001748277 . . . . . . . . 163 Q HN . 51179 1 135 . 1 . 1 33 33 GLN C C 13 172.995070034066 . . . . . . . . 163 Q C . 51179 1 136 . 1 . 1 33 33 GLN CA C 13 57.9292899112663 . . . . . . . . 163 Q CA . 51179 1 137 . 1 . 1 33 33 GLN CB C 13 32.8522899112663 . . . . . . . . 163 Q CB . 51179 1 138 . 1 . 1 33 33 GLN N N 15 120.309367961764 . . . . . . . . 163 Q N . 51179 1 139 . 1 . 1 34 34 ARG H H 1 8.61461001748277 . . . . . . . . 164 R HN . 51179 1 140 . 1 . 1 34 34 ARG C C 13 173.096070034066 . . . . . . . . 164 R C . 51179 1 141 . 1 . 1 34 34 ARG CA C 13 57.0622899112663 . . . . . . . . 164 R CA . 51179 1 142 . 1 . 1 34 34 ARG CB C 13 32.6232899112663 . . . . . . . . 164 R CB . 51179 1 143 . 1 . 1 34 34 ARG N N 15 122.594367961764 . . . . . . . . 164 R N . 51179 1 144 . 1 . 1 35 35 PRO C C 13 174.190070034066 . . . . . . . . 165 P C . 51179 1 145 . 1 . 1 35 35 PRO CA C 13 65.3442899112663 . . . . . . . . 165 P CA . 51179 1 146 . 1 . 1 35 35 PRO CB C 13 36.1902899112663 . . . . . . . . 165 P CB . 51179 1 147 . 1 . 1 36 36 SER H H 1 8.35061001748277 . . . . . . . . 166 S HN . 51179 1 148 . 1 . 1 36 36 SER C C 13 171.712070034066 . . . . . . . . 166 S C . 51179 1 149 . 1 . 1 36 36 SER CA C 13 66.0192899112663 . . . . . . . . 166 S CA . 51179 1 150 . 1 . 1 36 36 SER CB C 13 64.5052899112663 . . . . . . . . 166 S CB . 51179 1 151 . 1 . 1 36 36 SER N N 15 120.119367961764 . . . . . . . . 166 S N . 51179 1 152 . 1 . 1 37 37 THR C C 13 170.014070034066 . . . . . . . . 167 T C . 51179 1 153 . 1 . 1 37 37 THR CA C 13 66.3222899112663 . . . . . . . . 167 T CA . 51179 1 154 . 1 . 1 37 37 THR CB C 13 71.5142899112663 . . . . . . . . 167 T CB . 51179 1 155 . 1 . 1 38 38 GLN H H 1 8.81061001748277 . . . . . . . . 168 Q HN . 51179 1 156 . 1 . 1 38 38 GLN C C 13 171.515070034066 . . . . . . . . 168 Q C . 51179 1 157 . 1 . 1 38 38 GLN CA C 13 58.1532899112663 . . . . . . . . 168 Q CA . 51179 1 158 . 1 . 1 38 38 GLN CB C 13 35.7192899112663 . . . . . . . . 168 Q CB . 51179 1 159 . 1 . 1 38 38 GLN N N 15 129.461367961764 . . . . . . . . 168 Q N . 51179 1 160 . 1 . 1 39 39 PHE C C 13 170.147070034066 . . . . . . . . 169 F C . 51179 1 161 . 1 . 1 39 39 PHE CA C 13 66.9202899112664 . . . . . . . . 169 F CA . 51179 1 162 . 1 . 1 39 39 PHE CB C 13 33.8902899112663 . . . . . . . . 169 F CB . 51179 1 163 . 1 . 1 40 40 SER H H 1 7.88761001748277 . . . . . . . . 170 S HN . 51179 1 164 . 1 . 1 40 40 SER C C 13 168.708070034066 . . . . . . . . 170 S C . 51179 1 165 . 1 . 1 40 40 SER CA C 13 58.0202899112663 . . . . . . . . 170 S CA . 51179 1 166 . 1 . 1 40 40 SER CB C 13 66.5272899112664 . . . . . . . . 170 S CB . 51179 1 167 . 1 . 1 40 40 SER N N 15 108.768367961764 . . . . . . . . 170 S N . 51179 1 168 . 1 . 1 41 41 LEU H H 1 6.56161001748277 . . . . . . . . 171 L HN . 51179 1 169 . 1 . 1 41 41 LEU C C 13 170.753070034066 . . . . . . . . 171 L C . 51179 1 170 . 1 . 1 41 41 LEU CA C 13 55.9932899112663 . . . . . . . . 171 L CA . 51179 1 171 . 1 . 1 41 41 LEU CB C 13 48.1222899112663 . . . . . . . . 171 L CB . 51179 1 172 . 1 . 1 41 41 LEU N N 15 124.848367961764 . . . . . . . . 171 L N . 51179 1 173 . 1 . 1 42 42 MET H H 1 9.06561001748277 . . . . . . . . 172 M HN . 51179 1 174 . 1 . 1 42 42 MET C C 13 169.483070034066 . . . . . . . . 172 M C . 51179 1 175 . 1 . 1 42 42 MET CA C 13 55.8062899112663 . . . . . . . . 172 M CA . 51179 1 176 . 1 . 1 42 42 MET CB C 13 39.5032899112663 . . . . . . . . 172 M CB . 51179 1 177 . 1 . 1 42 42 MET N N 15 128.398367961764 . . . . . . . . 172 M N . 51179 1 178 . 1 . 1 43 43 GLN H H 1 9.33261001748277 . . . . . . . . 173 Q HN . 51179 1 179 . 1 . 1 43 43 GLN C C 13 170.655070034066 . . . . . . . . 173 Q C . 51179 1 180 . 1 . 1 43 43 GLN CA C 13 54.9132899112663 . . . . . . . . 173 Q CA . 51179 1 181 . 1 . 1 43 43 GLN CB C 13 34.5042899112663 . . . . . . . . 173 Q CB . 51179 1 182 . 1 . 1 43 43 GLN N N 15 128.815367961764 . . . . . . . . 173 Q N . 51179 1 183 . 1 . 1 44 44 PHE H H 1 9.37361001748277 . . . . . . . . 174 F HN . 51179 1 184 . 1 . 1 44 44 PHE C C 13 168.578070034066 . . . . . . . . 174 F C . 51179 1 185 . 1 . 1 44 44 PHE CA C 13 57.0492899112663 . . . . . . . . 174 F CA . 51179 1 186 . 1 . 1 44 44 PHE CB C 13 47.7722899112663 . . . . . . . . 174 F CB . 51179 1 187 . 1 . 1 44 44 PHE N N 15 124.185367961764 . . . . . . . . 174 F N . 51179 1 188 . 1 . 1 45 45 SER H H 1 8.65561001748277 . . . . . . . . 175 S HN . 51179 1 189 . 1 . 1 45 45 SER C C 13 172.894070034066 . . . . . . . . 175 S C . 51179 1 190 . 1 . 1 45 45 SER CA C 13 60.2202899112663 . . . . . . . . 175 S CA . 51179 1 191 . 1 . 1 45 45 SER CB C 13 64.6262899112663 . . . . . . . . 175 S CB . 51179 1 192 . 1 . 1 45 45 SER N N 15 118.074367961764 . . . . . . . . 175 S N . 51179 1 193 . 1 . 1 46 46 ASN H H 1 8.36661001748277 . . . . . . . . 176 N HN . 51179 1 194 . 1 . 1 46 46 ASN C C 13 169.328070034066 . . . . . . . . 176 N C . 51179 1 195 . 1 . 1 46 46 ASN CA C 13 56.0052899112663 . . . . . . . . 176 N CA . 51179 1 196 . 1 . 1 46 46 ASN CB C 13 40.2092899112663 . . . . . . . . 176 N CB . 51179 1 197 . 1 . 1 46 46 ASN N N 15 119.263367961764 . . . . . . . . 176 N N . 51179 1 198 . 1 . 1 47 47 LYS H H 1 7.07561001748277 . . . . . . . . 177 K HN . 51179 1 199 . 1 . 1 47 47 LYS C C 13 170.405070034066 . . . . . . . . 177 K C . 51179 1 200 . 1 . 1 47 47 LYS CA C 13 55.8222899112663 . . . . . . . . 177 K CA . 51179 1 201 . 1 . 1 47 47 LYS CB C 13 37.0422899112663 . . . . . . . . 177 K CB . 51179 1 202 . 1 . 1 47 47 LYS N N 15 119.240367961764 . . . . . . . . 177 K N . 51179 1 203 . 1 . 1 48 48 PHE H H 1 8.12361001748277 . . . . . . . . 178 F HN . 51179 1 204 . 1 . 1 48 48 PHE C C 13 172.130070034066 . . . . . . . . 178 F C . 51179 1 205 . 1 . 1 48 48 PHE CA C 13 58.5272899112663 . . . . . . . . 178 F CA . 51179 1 206 . 1 . 1 48 48 PHE CB C 13 43.1332899112663 . . . . . . . . 178 F CB . 51179 1 207 . 1 . 1 48 48 PHE N N 15 115.614367961764 . . . . . . . . 178 F N . 51179 1 208 . 1 . 1 49 49 GLN H H 1 8.86761001748277 . . . . . . . . 179 Q HN . 51179 1 209 . 1 . 1 49 49 GLN C C 13 171.132070034066 . . . . . . . . 179 Q C . 51179 1 210 . 1 . 1 49 49 GLN CA C 13 57.2602899112663 . . . . . . . . 179 Q CA . 51179 1 211 . 1 . 1 49 49 GLN CB C 13 33.4502899112663 . . . . . . . . 179 Q CB . 51179 1 212 . 1 . 1 49 49 GLN N N 15 123.684367961764 . . . . . . . . 179 Q N . 51179 1 213 . 1 . 1 50 50 THR H H 1 9.08861001748277 . . . . . . . . 180 T HN . 51179 1 214 . 1 . 1 50 50 THR C C 13 171.410070034066 . . . . . . . . 180 T C . 51179 1 215 . 1 . 1 50 50 THR CA C 13 65.2642899112663 . . . . . . . . 180 T CA . 51179 1 216 . 1 . 1 50 50 THR CB C 13 69.5442899112664 . . . . . . . . 180 T CB . 51179 1 217 . 1 . 1 50 50 THR N N 15 126.976367961764 . . . . . . . . 180 T N . 51179 1 218 . 1 . 1 51 51 HIS H H 1 8.44761001748277 . . . . . . . . 181 H HN . 51179 1 219 . 1 . 1 51 51 HIS C C 13 173.154070034066 . . . . . . . . 181 H C . 51179 1 220 . 1 . 1 51 51 HIS CA C 13 61.5642899112663 . . . . . . . . 181 H CA . 51179 1 221 . 1 . 1 51 51 HIS CB C 13 31.0382899112663 . . . . . . . . 181 H CB . 51179 1 222 . 1 . 1 51 51 HIS N N 15 129.447367961764 . . . . . . . . 181 H N . 51179 1 223 . 1 . 1 52 52 PHE H H 1 6.84561001748277 . . . . . . . . 182 F HN . 51179 1 224 . 1 . 1 52 52 PHE C C 13 172.576070034066 . . . . . . . . 182 F C . 51179 1 225 . 1 . 1 52 52 PHE CA C 13 58.3722899112663 . . . . . . . . 182 F CA . 51179 1 226 . 1 . 1 52 52 PHE CB C 13 42.0772899112663 . . . . . . . . 182 F CB . 51179 1 227 . 1 . 1 52 52 PHE N N 15 108.039367961764 . . . . . . . . 182 F N . 51179 1 228 . 1 . 1 53 53 THR H H 1 9.24761001748277 . . . . . . . . 183 T HN . 51179 1 229 . 1 . 1 53 53 THR C C 13 171.743070034066 . . . . . . . . 183 T C . 51179 1 230 . 1 . 1 53 53 THR CA C 13 62.2642899112663 . . . . . . . . 183 T CA . 51179 1 231 . 1 . 1 53 53 THR CB C 13 73.3202899112663 . . . . . . . . 183 T CB . 51179 1 232 . 1 . 1 53 53 THR N N 15 116.069367961764 . . . . . . . . 183 T N . 51179 1 233 . 1 . 1 54 54 PHE H H 1 8.41161001748277 . . . . . . . . 184 F HN . 51179 1 234 . 1 . 1 54 54 PHE C C 13 175.253070034066 . . . . . . . . 184 F C . 51179 1 235 . 1 . 1 54 54 PHE CA C 13 63.8652899112663 . . . . . . . . 184 F CA . 51179 1 236 . 1 . 1 54 54 PHE CB C 13 40.8402899112663 . . . . . . . . 184 F CB . 51179 1 237 . 1 . 1 54 54 PHE N N 15 119.678367961764 . . . . . . . . 184 F N . 51179 1 238 . 1 . 1 55 55 GLU H H 1 8.00261001748277 . . . . . . . . 185 E HN . 51179 1 239 . 1 . 1 55 55 GLU C C 13 175.611070034066 . . . . . . . . 185 E C . 51179 1 240 . 1 . 1 55 55 GLU CA C 13 61.1102899112663 . . . . . . . . 185 E CA . 51179 1 241 . 1 . 1 55 55 GLU CB C 13 31.2092899112663 . . . . . . . . 185 E CB . 51179 1 242 . 1 . 1 55 55 GLU N N 15 118.000367961764 . . . . . . . . 185 E N . 51179 1 243 . 1 . 1 56 56 GLU H H 1 7.71961001748277 . . . . . . . . 186 E HN . 51179 1 244 . 1 . 1 56 56 GLU C C 13 176.639070034066 . . . . . . . . 186 E C . 51179 1 245 . 1 . 1 56 56 GLU CA C 13 61.3732899112663 . . . . . . . . 186 E CA . 51179 1 246 . 1 . 1 56 56 GLU CB C 13 32.1582899112663 . . . . . . . . 186 E CB . 51179 1 247 . 1 . 1 56 56 GLU N N 15 118.118367961764 . . . . . . . . 186 E N . 51179 1 248 . 1 . 1 57 57 PHE H H 1 8.49861001748277 . . . . . . . . 187 F HN . 51179 1 249 . 1 . 1 57 57 PHE C C 13 174.635070034066 . . . . . . . . 187 F C . 51179 1 250 . 1 . 1 57 57 PHE CA C 13 64.5492899112663 . . . . . . . . 187 F CA . 51179 1 251 . 1 . 1 57 57 PHE CB C 13 42.7642899112663 . . . . . . . . 187 F CB . 51179 1 252 . 1 . 1 57 57 PHE N N 15 121.094367961764 . . . . . . . . 187 F N . 51179 1 253 . 1 . 1 58 58 ARG H H 1 8.87861001748277 . . . . . . . . 188 R HN . 51179 1 254 . 1 . 1 58 58 ARG C C 13 175.382070034066 . . . . . . . . 188 R C . 51179 1 255 . 1 . 1 58 58 ARG CA C 13 61.2652899112663 . . . . . . . . 188 R CA . 51179 1 256 . 1 . 1 58 58 ARG CB C 13 31.7492899112663 . . . . . . . . 188 R CB . 51179 1 257 . 1 . 1 58 58 ARG N N 15 119.519367961764 . . . . . . . . 188 R N . 51179 1 258 . 1 . 1 59 59 ARG H H 1 7.71661001748277 . . . . . . . . 189 R HN . 51179 1 259 . 1 . 1 59 59 ARG C C 13 173.890070034066 . . . . . . . . 189 R C . 51179 1 260 . 1 . 1 59 59 ARG CA C 13 59.0932899112663 . . . . . . . . 189 R CA . 51179 1 261 . 1 . 1 59 59 ARG CB C 13 32.8262899112663 . . . . . . . . 189 R CB . 51179 1 262 . 1 . 1 59 59 ARG N N 15 114.051367961764 . . . . . . . . 189 R N . 51179 1 263 . 1 . 1 60 60 SER H H 1 6.90261001748277 . . . . . . . . 190 S HN . 51179 1 264 . 1 . 1 60 60 SER C C 13 173.086070034066 . . . . . . . . 190 S C . 51179 1 265 . 1 . 1 60 60 SER CA C 13 60.9102899112663 . . . . . . . . 190 S CA . 51179 1 266 . 1 . 1 60 60 SER CB C 13 66.1802899112663 . . . . . . . . 190 S CB . 51179 1 267 . 1 . 1 60 60 SER N N 15 113.124367961764 . . . . . . . . 190 S N . 51179 1 268 . 1 . 1 61 61 SER C C 13 171.748070034066 . . . . . . . . 191 S C . 51179 1 269 . 1 . 1 61 61 SER CA C 13 62.2512899112663 . . . . . . . . 191 S CA . 51179 1 270 . 1 . 1 62 62 ASN H H 1 7.90061001748277 . . . . . . . . 192 N HN . 51179 1 271 . 1 . 1 62 62 ASN C C 13 170.124070034066 . . . . . . . . 192 N C . 51179 1 272 . 1 . 1 62 62 ASN CA C 13 52.9932899112663 . . . . . . . . 192 N CA . 51179 1 273 . 1 . 1 62 62 ASN CB C 13 40.3492899112663 . . . . . . . . 192 N CB . 51179 1 274 . 1 . 1 62 62 ASN N N 15 116.268367961764 . . . . . . . . 192 N N . 51179 1 275 . 1 . 1 63 63 PRO C C 13 174.696070034066 . . . . . . . . 193 P C . 51179 1 276 . 1 . 1 63 63 PRO CA C 13 66.8192899112664 . . . . . . . . 193 P CA . 51179 1 277 . 1 . 1 63 63 PRO CB C 13 33.8332899112663 . . . . . . . . 193 P CB . 51179 1 278 . 1 . 1 64 64 LEU H H 1 7.82561001748277 . . . . . . . . 194 L HN . 51179 1 279 . 1 . 1 64 64 LEU C C 13 177.845070034066 . . . . . . . . 194 L C . 51179 1 280 . 1 . 1 64 64 LEU CA C 13 59.4672899112663 . . . . . . . . 194 L CA . 51179 1 281 . 1 . 1 64 64 LEU CB C 13 41.4812899112663 . . . . . . . . 194 L CB . 51179 1 282 . 1 . 1 64 64 LEU N N 15 114.905367961764 . . . . . . . . 194 L N . 51179 1 283 . 1 . 1 65 65 SER H H 1 7.85161001748277 . . . . . . . . 195 S HN . 51179 1 284 . 1 . 1 65 65 SER C C 13 173.857070034066 . . . . . . . . 195 S C . 51179 1 285 . 1 . 1 65 65 SER CA C 13 63.4592899112663 . . . . . . . . 195 S CA . 51179 1 286 . 1 . 1 65 65 SER CB C 13 65.4342899112663 . . . . . . . . 195 S CB . 51179 1 287 . 1 . 1 65 65 SER N N 15 115.530367961764 . . . . . . . . 195 S N . 51179 1 288 . 1 . 1 66 66 LEU H H 1 7.31661001748277 . . . . . . . . 196 L HN . 51179 1 289 . 1 . 1 66 66 LEU C C 13 175.534070034066 . . . . . . . . 196 L C . 51179 1 290 . 1 . 1 66 66 LEU CA C 13 58.7702899112663 . . . . . . . . 196 L CA . 51179 1 291 . 1 . 1 66 66 LEU CB C 13 42.8952899112663 . . . . . . . . 196 L CB . 51179 1 292 . 1 . 1 66 66 LEU N N 15 121.893367961764 . . . . . . . . 196 L N . 51179 1 293 . 1 . 1 67 67 LEU H H 1 7.00861001748277 . . . . . . . . 197 L HN . 51179 1 294 . 1 . 1 67 67 LEU C C 13 174.604070034066 . . . . . . . . 197 L C . 51179 1 295 . 1 . 1 67 67 LEU CA C 13 57.8482899112663 . . . . . . . . 197 L CA . 51179 1 296 . 1 . 1 67 67 LEU CB C 13 42.7932899112663 . . . . . . . . 197 L CB . 51179 1 297 . 1 . 1 67 67 LEU N N 15 114.879367961764 . . . . . . . . 197 L N . 51179 1 298 . 1 . 1 68 68 ALA H H 1 7.15761001748277 . . . . . . . . 198 A HN . 51179 1 299 . 1 . 1 68 68 ALA C C 13 175.067070034066 . . . . . . . . 198 A C . 51179 1 300 . 1 . 1 68 68 ALA CA C 13 56.6092899112663 . . . . . . . . 198 A CA . 51179 1 301 . 1 . 1 68 68 ALA CB C 13 20.5962899112663 . . . . . . . . 198 A CB . 51179 1 302 . 1 . 1 68 68 ALA N N 15 120.780367961764 . . . . . . . . 198 A N . 51179 1 303 . 1 . 1 69 69 SER H H 1 7.40961001748277 . . . . . . . . 199 S HN . 51179 1 304 . 1 . 1 69 69 SER C C 13 170.488070034066 . . . . . . . . 199 S C . 51179 1 305 . 1 . 1 69 69 SER CA C 13 59.6242899112663 . . . . . . . . 199 S CA . 51179 1 306 . 1 . 1 69 69 SER CB C 13 65.6102899112664 . . . . . . . . 199 S CB . 51179 1 307 . 1 . 1 69 69 SER N N 15 110.148367961764 . . . . . . . . 199 S N . 51179 1 308 . 1 . 1 70 70 VAL H H 1 6.92961001748277 . . . . . . . . 200 V HN . 51179 1 309 . 1 . 1 70 70 VAL C C 13 171.454070034066 . . . . . . . . 200 V C . 51179 1 310 . 1 . 1 70 70 VAL CA C 13 65.3522899112663 . . . . . . . . 200 V CA . 51179 1 311 . 1 . 1 70 70 VAL CB C 13 33.2342899112663 . . . . . . . . 200 V CB . 51179 1 312 . 1 . 1 70 70 VAL N N 15 122.328367961764 . . . . . . . . 200 V N . 51179 1 313 . 1 . 1 71 71 HIS H H 1 8.16361001748277 . . . . . . . . 201 H HN . 51179 1 314 . 1 . 1 71 71 HIS C C 13 171.799070034066 . . . . . . . . 201 H C . 51179 1 315 . 1 . 1 71 71 HIS CA C 13 55.9072899112663 . . . . . . . . 201 H CA . 51179 1 316 . 1 . 1 71 71 HIS CB C 13 32.8772899112663 . . . . . . . . 201 H CB . 51179 1 317 . 1 . 1 71 71 HIS N N 15 126.268367961764 . . . . . . . . 201 H N . 51179 1 318 . 1 . 1 72 72 GLN H H 1 8.49161001748277 . . . . . . . . 202 Q HN . 51179 1 319 . 1 . 1 72 72 GLN C C 13 174.721070034066 . . . . . . . . 202 Q C . 51179 1 320 . 1 . 1 72 72 GLN CA C 13 58.0422899112663 . . . . . . . . 202 Q CA . 51179 1 321 . 1 . 1 72 72 GLN CB C 13 29.2192899112663 . . . . . . . . 202 Q CB . 51179 1 322 . 1 . 1 72 72 GLN N N 15 127.425367961764 . . . . . . . . 202 Q N . 51179 1 323 . 1 . 1 73 73 LEU H H 1 9.35161001748277 . . . . . . . . 203 L HN . 51179 1 324 . 1 . 1 73 73 LEU C C 13 177.910070034066 . . . . . . . . 203 L C . 51179 1 325 . 1 . 1 73 73 LEU CA C 13 54.9132899112663 . . . . . . . . 203 L CA . 51179 1 326 . 1 . 1 73 73 LEU CB C 13 45.8082899112663 . . . . . . . . 203 L CB . 51179 1 327 . 1 . 1 73 73 LEU N N 15 128.696367961764 . . . . . . . . 203 L N . 51179 1 328 . 1 . 1 74 74 GLN H H 1 7.22461001748277 . . . . . . . . 204 Q HN . 51179 1 329 . 1 . 1 74 74 GLN C C 13 171.516070034066 . . . . . . . . 204 Q C . 51179 1 330 . 1 . 1 74 74 GLN CA C 13 60.2792899112663 . . . . . . . . 204 Q CA . 51179 1 331 . 1 . 1 74 74 GLN CB C 13 28.5102899112663 . . . . . . . . 204 Q CB . 51179 1 332 . 1 . 1 74 74 GLN N N 15 107.813367961764 . . . . . . . . 204 Q N . 51179 1 333 . 1 . 1 75 75 GLY H H 1 7.81561001748277 . . . . . . . . 205 G HN . 51179 1 334 . 1 . 1 75 75 GLY C C 13 172.188070034066 . . . . . . . . 205 G C . 51179 1 335 . 1 . 1 75 75 GLY CA C 13 46.3722899112663 . . . . . . . . 205 G CA . 51179 1 336 . 1 . 1 75 75 GLY N N 15 104.054367961764 . . . . . . . . 205 G N . 51179 1 337 . 1 . 1 76 76 PHE H H 1 6.95061001748277 . . . . . . . . 206 F HN . 51179 1 338 . 1 . 1 76 76 PHE C C 13 168.862070034066 . . . . . . . . 206 F C . 51179 1 339 . 1 . 1 76 76 PHE CA C 13 59.4562899112663 . . . . . . . . 206 F CA . 51179 1 340 . 1 . 1 76 76 PHE CB C 13 40.5062899112663 . . . . . . . . 206 F CB . 51179 1 341 . 1 . 1 76 76 PHE N N 15 121.412367961764 . . . . . . . . 206 F N . 51179 1 342 . 1 . 1 77 77 THR H H 1 7.62061001748277 . . . . . . . . 207 T HN . 51179 1 343 . 1 . 1 77 77 THR C C 13 172.385070034066 . . . . . . . . 207 T C . 51179 1 344 . 1 . 1 77 77 THR CA C 13 63.8442899112664 . . . . . . . . 207 T CA . 51179 1 345 . 1 . 1 77 77 THR CB C 13 72.1932899112664 . . . . . . . . 207 T CB . 51179 1 346 . 1 . 1 77 77 THR N N 15 111.035367961764 . . . . . . . . 207 T N . 51179 1 347 . 1 . 1 78 78 TYR H H 1 8.73861001748277 . . . . . . . . 208 Y HN . 51179 1 348 . 1 . 1 78 78 TYR C C 13 174.123070034066 . . . . . . . . 208 Y C . 51179 1 349 . 1 . 1 78 78 TYR CA C 13 55.5862899112663 . . . . . . . . 208 Y CA . 51179 1 350 . 1 . 1 78 78 TYR CB C 13 36.2262899112663 . . . . . . . . 208 Y CB . 51179 1 351 . 1 . 1 78 78 TYR N N 15 128.451367961764 . . . . . . . . 208 Y N . 51179 1 352 . 1 . 1 79 79 THR H H 1 7.39861001748277 . . . . . . . . 209 T HN . 51179 1 353 . 1 . 1 79 79 THR C C 13 173.721070034066 . . . . . . . . 209 T C . 51179 1 354 . 1 . 1 79 79 THR CA C 13 67.8862899112663 . . . . . . . . 209 T CA . 51179 1 355 . 1 . 1 79 79 THR CB C 13 70.7292899112664 . . . . . . . . 209 T CB . 51179 1 356 . 1 . 1 79 79 THR N N 15 111.633367961764 . . . . . . . . 209 T N . 51179 1 357 . 1 . 1 80 80 ALA H H 1 7.54561001748277 . . . . . . . . 210 A HN . 51179 1 358 . 1 . 1 80 80 ALA C C 13 177.780070034066 . . . . . . . . 210 A C . 51179 1 359 . 1 . 1 80 80 ALA CA C 13 57.7932899112663 . . . . . . . . 210 A CA . 51179 1 360 . 1 . 1 80 80 ALA CB C 13 19.3492899112663 . . . . . . . . 210 A CB . 51179 1 361 . 1 . 1 80 80 ALA N N 15 120.212367961764 . . . . . . . . 210 A N . 51179 1 362 . 1 . 1 81 81 THR H H 1 10.3156100174828 . . . . . . . . 211 T HN . 51179 1 363 . 1 . 1 81 81 THR C C 13 173.934070034066 . . . . . . . . 211 T C . 51179 1 364 . 1 . 1 81 81 THR CA C 13 70.1072899112664 . . . . . . . . 211 T CA . 51179 1 365 . 1 . 1 81 81 THR CB C 13 69.3542899112664 . . . . . . . . 211 T CB . 51179 1 366 . 1 . 1 81 81 THR N N 15 120.916367961764 . . . . . . . . 211 T N . 51179 1 367 . 1 . 1 82 82 ALA H H 1 8.13261001748277 . . . . . . . . 212 A HN . 51179 1 368 . 1 . 1 82 82 ALA C C 13 175.715070034066 . . . . . . . . 212 A C . 51179 1 369 . 1 . 1 82 82 ALA CA C 13 58.1992899112663 . . . . . . . . 212 A CA . 51179 1 370 . 1 . 1 82 82 ALA CB C 13 21.4102899112663 . . . . . . . . 212 A CB . 51179 1 371 . 1 . 1 82 82 ALA N N 15 123.317367961764 . . . . . . . . 212 A N . 51179 1 372 . 1 . 1 83 83 ILE H H 1 7.72961001748277 . . . . . . . . 213 I HN . 51179 1 373 . 1 . 1 83 83 ILE C C 13 174.155070034066 . . . . . . . . 213 I C . 51179 1 374 . 1 . 1 83 83 ILE CA C 13 68.4252899112664 . . . . . . . . 213 I CA . 51179 1 375 . 1 . 1 83 83 ILE CB C 13 39.5542899112663 . . . . . . . . 213 I CB . 51179 1 376 . 1 . 1 83 83 ILE N N 15 117.662367961764 . . . . . . . . 213 I N . 51179 1 377 . 1 . 1 84 84 GLN H H 1 8.08261001748277 . . . . . . . . 214 Q HN . 51179 1 378 . 1 . 1 84 84 GLN C C 13 174.323070034066 . . . . . . . . 214 Q C . 51179 1 379 . 1 . 1 84 84 GLN CA C 13 62.1692899112663 . . . . . . . . 214 Q CA . 51179 1 380 . 1 . 1 84 84 GLN CB C 13 30.4822899112663 . . . . . . . . 214 Q CB . 51179 1 381 . 1 . 1 84 84 GLN N N 15 120.471367961764 . . . . . . . . 214 Q N . 51179 1 382 . 1 . 1 85 85 ASN H H 1 7.67561001748277 . . . . . . . . 215 N HN . 51179 1 383 . 1 . 1 85 85 ASN C C 13 174.751070034066 . . . . . . . . 215 N C . 51179 1 384 . 1 . 1 85 85 ASN CA C 13 58.7982899112663 . . . . . . . . 215 N CA . 51179 1 385 . 1 . 1 85 85 ASN CB C 13 41.1692899112663 . . . . . . . . 215 N CB . 51179 1 386 . 1 . 1 85 85 ASN N N 15 116.468367961764 . . . . . . . . 215 N N . 51179 1 387 . 1 . 1 86 86 VAL H H 1 7.88761001748277 . . . . . . . . 216 V HN . 51179 1 388 . 1 . 1 86 86 VAL C C 13 173.776070034066 . . . . . . . . 216 V C . 51179 1 389 . 1 . 1 86 86 VAL CA C 13 69.2922899112664 . . . . . . . . 216 V CA . 51179 1 390 . 1 . 1 86 86 VAL CB C 13 33.1842899112663 . . . . . . . . 216 V CB . 51179 1 391 . 1 . 1 86 86 VAL N N 15 120.484367961764 . . . . . . . . 216 V N . 51179 1 392 . 1 . 1 87 87 VAL H H 1 8.00661001748277 . . . . . . . . 217 V HN . 51179 1 393 . 1 . 1 87 87 VAL C C 13 174.356070034066 . . . . . . . . 217 V C . 51179 1 394 . 1 . 1 87 87 VAL CA C 13 69.0212899112664 . . . . . . . . 217 V CA . 51179 1 395 . 1 . 1 87 87 VAL CB C 13 31.1212899112663 . . . . . . . . 217 V CB . 51179 1 396 . 1 . 1 87 87 VAL N N 15 116.220367961764 . . . . . . . . 217 V N . 51179 1 397 . 1 . 1 88 88 HIS H H 1 8.06461001748277 . . . . . . . . 218 H HN . 51179 1 398 . 1 . 1 88 88 HIS C C 13 173.627070034066 . . . . . . . . 218 H C . 51179 1 399 . 1 . 1 88 88 HIS CA C 13 60.0222899112663 . . . . . . . . 218 H CA . 51179 1 400 . 1 . 1 88 88 HIS CB C 13 33.5842899112663 . . . . . . . . 218 H CB . 51179 1 401 . 1 . 1 88 88 HIS N N 15 112.708367961764 . . . . . . . . 218 H N . 51179 1 402 . 1 . 1 89 89 ARG H H 1 7.70861001748277 . . . . . . . . 219 R HN . 51179 1 403 . 1 . 1 89 89 ARG C C 13 172.421070034066 . . . . . . . . 219 R C . 51179 1 404 . 1 . 1 89 89 ARG CA C 13 59.0932899112663 . . . . . . . . 219 R CA . 51179 1 405 . 1 . 1 89 89 ARG CB C 13 32.8262899112663 . . . . . . . . 219 R CB . 51179 1 406 . 1 . 1 89 89 ARG N N 15 113.866367961764 . . . . . . . . 219 R N . 51179 1 407 . 1 . 1 90 90 LEU H H 1 6.90361001748277 . . . . . . . . 220 L HN . 51179 1 408 . 1 . 1 90 90 LEU C C 13 175.105070034066 . . . . . . . . 220 L C . 51179 1 409 . 1 . 1 90 90 LEU CA C 13 60.9762899112663 . . . . . . . . 220 L CA . 51179 1 410 . 1 . 1 90 90 LEU CB C 13 42.3422899112663 . . . . . . . . 220 L CB . 51179 1 411 . 1 . 1 90 90 LEU N N 15 114.722367961764 . . . . . . . . 220 L N . 51179 1 412 . 1 . 1 91 91 PHE H H 1 7.08661001748277 . . . . . . . . 221 F HN . 51179 1 413 . 1 . 1 91 91 PHE C C 13 171.122070034066 . . . . . . . . 221 F C . 51179 1 414 . 1 . 1 91 91 PHE CA C 13 61.0422899112663 . . . . . . . . 221 F CA . 51179 1 415 . 1 . 1 91 91 PHE CB C 13 39.9122899112663 . . . . . . . . 221 F CB . 51179 1 416 . 1 . 1 91 91 PHE N N 15 109.945367961764 . . . . . . . . 221 F N . 51179 1 417 . 1 . 1 92 92 HIS H H 1 7.54661001748277 . . . . . . . . 222 H HN . 51179 1 418 . 1 . 1 92 92 HIS C C 13 174.633070034066 . . . . . . . . 222 H C . 51179 1 419 . 1 . 1 92 92 HIS CA C 13 60.4312899112663 . . . . . . . . 222 H CA . 51179 1 420 . 1 . 1 92 92 HIS CB C 13 34.8952899112663 . . . . . . . . 222 H CB . 51179 1 421 . 1 . 1 92 92 HIS N N 15 121.448367961764 . . . . . . . . 222 H N . 51179 1 422 . 1 . 1 93 93 ALA H H 1 8.49061001748277 . . . . . . . . 223 A HN . 51179 1 423 . 1 . 1 93 93 ALA C C 13 178.674070034066 . . . . . . . . 223 A C . 51179 1 424 . 1 . 1 93 93 ALA CA C 13 57.6842899112663 . . . . . . . . 223 A CA . 51179 1 425 . 1 . 1 93 93 ALA CB C 13 20.4952899112663 . . . . . . . . 223 A CB . 51179 1 426 . 1 . 1 93 93 ALA N N 15 131.480367961764 . . . . . . . . 223 A N . 51179 1 427 . 1 . 1 94 94 SER H H 1 10.6156100174828 . . . . . . . . 224 S HN . 51179 1 428 . 1 . 1 94 94 SER C C 13 173.028070034066 . . . . . . . . 224 S C . 51179 1 429 . 1 . 1 94 94 SER CA C 13 63.8882899112663 . . . . . . . . 224 S CA . 51179 1 430 . 1 . 1 94 94 SER N N 15 117.874367961764 . . . . . . . . 224 S N . 51179 1 431 . 1 . 1 95 95 TYR H H 1 8.15961001748277 . . . . . . . . 225 Y HN . 51179 1 432 . 1 . 1 95 95 TYR C C 13 173.034070034066 . . . . . . . . 225 Y C . 51179 1 433 . 1 . 1 95 95 TYR CA C 13 60.2062899112663 . . . . . . . . 225 Y CA . 51179 1 434 . 1 . 1 95 95 TYR CB C 13 39.8162899112663 . . . . . . . . 225 Y CB . 51179 1 435 . 1 . 1 95 95 TYR N N 15 123.797367961764 . . . . . . . . 225 Y N . 51179 1 436 . 1 . 1 96 96 GLY H H 1 8.07461001748277 . . . . . . . . 226 G HN . 51179 1 437 . 1 . 1 96 96 GLY C C 13 171.592070034066 . . . . . . . . 226 G C . 51179 1 438 . 1 . 1 96 96 GLY CA C 13 47.6112899112663 . . . . . . . . 226 G CA . 51179 1 439 . 1 . 1 96 96 GLY N N 15 104.712367961764 . . . . . . . . 226 G N . 51179 1 440 . 1 . 1 97 97 ALA H H 1 7.07561001748277 . . . . . . . . 227 A HN . 51179 1 441 . 1 . 1 97 97 ALA C C 13 126.660070034066 . . . . . . . . 227 A C . 51179 1 442 . 1 . 1 97 97 ALA CA C 13 54.8512899112663 . . . . . . . . 227 A CA . 51179 1 443 . 1 . 1 97 97 ALA CB C 13 21.0942899112663 . . . . . . . . 227 A CB . 51179 1 444 . 1 . 1 97 97 ALA N N 15 123.791367961764 . . . . . . . . 227 A N . 51179 1 445 . 1 . 1 98 98 ARG H H 1 9.95361001748277 . . . . . . . . 228 R HN . 51179 1 446 . 1 . 1 98 98 ARG C C 13 174.475070034066 . . . . . . . . 228 R C . 51179 1 447 . 1 . 1 98 98 ARG CA C 13 58.1142899112663 . . . . . . . . 228 R CA . 51179 1 448 . 1 . 1 98 98 ARG CB C 13 32.9322899112663 . . . . . . . . 228 R CB . 51179 1 449 . 1 . 1 98 98 ARG N N 15 126.099367961764 . . . . . . . . 228 R N . 51179 1 450 . 1 . 1 99 99 ARG H H 1 8.47461001748277 . . . . . . . . 229 R HN . 51179 1 451 . 1 . 1 99 99 ARG C C 13 174.569070034066 . . . . . . . . 229 R C . 51179 1 452 . 1 . 1 99 99 ARG CA C 13 61.5262899112663 . . . . . . . . 229 R CA . 51179 1 453 . 1 . 1 99 99 ARG CB C 13 32.2502899112663 . . . . . . . . 229 R CB . 51179 1 454 . 1 . 1 99 99 ARG N N 15 125.427367961764 . . . . . . . . 229 R N . 51179 1 455 . 1 . 1 100 100 ASP H H 1 8.50361001748277 . . . . . . . . 230 D HN . 51179 1 456 . 1 . 1 100 100 ASP C C 13 172.595070034066 . . . . . . . . 230 D C . 51179 1 457 . 1 . 1 100 100 ASP CA C 13 56.3402899112663 . . . . . . . . 230 D CA . 51179 1 458 . 1 . 1 100 100 ASP N N 15 114.995367961764 . . . . . . . . 230 D N . 51179 1 459 . 1 . 1 101 101 ALA H H 1 6.75761001748277 . . . . . . . . 231 A HN . 51179 1 460 . 1 . 1 101 101 ALA C C 13 174.575070034066 . . . . . . . . 231 A C . 51179 1 461 . 1 . 1 101 101 ALA CA C 13 54.2612899112663 . . . . . . . . 231 A CA . 51179 1 462 . 1 . 1 101 101 ALA CB C 13 21.7112899112663 . . . . . . . . 231 A CB . 51179 1 463 . 1 . 1 101 101 ALA N N 15 121.243367961764 . . . . . . . . 231 A N . 51179 1 464 . 1 . 1 102 102 THR H H 1 8.50061001748277 . . . . . . . . 232 T HN . 51179 1 465 . 1 . 1 102 102 THR CA C 13 66.2722899112664 . . . . . . . . 232 T CA . 51179 1 466 . 1 . 1 102 102 THR CB C 13 67.4802899112664 . . . . . . . . 232 T CB . 51179 1 467 . 1 . 1 102 102 THR N N 15 120.011367961764 . . . . . . . . 232 T N . 51179 1 468 . 1 . 1 104 104 ILE H H 1 6.78061001748277 . . . . . . . . 234 I HN . 51179 1 469 . 1 . 1 104 104 ILE C C 13 169.726070034066 . . . . . . . . 234 I C . 51179 1 470 . 1 . 1 104 104 ILE CA C 13 61.6712899112663 . . . . . . . . 234 I CA . 51179 1 471 . 1 . 1 104 104 ILE N N 15 112.200367961764 . . . . . . . . 234 I N . 51179 1 472 . 1 . 1 105 105 LEU H H 1 9.46061001748277 . . . . . . . . 235 L HN . 51179 1 473 . 1 . 1 105 105 LEU C C 13 170.592070034066 . . . . . . . . 235 L C . 51179 1 474 . 1 . 1 105 105 LEU CA C 13 54.7942899112663 . . . . . . . . 235 L CA . 51179 1 475 . 1 . 1 105 105 LEU N N 15 128.973367961764 . . . . . . . . 235 L N . 51179 1 476 . 1 . 1 106 106 ILE H H 1 9.20961001748277 . . . . . . . . 236 I HN . 51179 1 477 . 1 . 1 106 106 ILE C C 13 170.655070034066 . . . . . . . . 236 I C . 51179 1 478 . 1 . 1 106 106 ILE CA C 13 62.9082899112664 . . . . . . . . 236 I CA . 51179 1 479 . 1 . 1 106 106 ILE N N 15 126.976367961764 . . . . . . . . 236 I N . 51179 1 480 . 1 . 1 107 107 VAL H H 1 8.83761001748277 . . . . . . . . 237 V HN . 51179 1 481 . 1 . 1 107 107 VAL C C 13 174.664070034066 . . . . . . . . 237 V C . 51179 1 482 . 1 . 1 107 107 VAL CA C 13 63.3232899112663 . . . . . . . . 237 V CA . 51179 1 483 . 1 . 1 107 107 VAL N N 15 127.555367961764 . . . . . . . . 237 V N . 51179 1 484 . 1 . 1 110 110 ASP C C 13 169.590070034066 . . . . . . . . 240 D C . 51179 1 485 . 1 . 1 110 110 ASP CA C 13 55.5502899112663 . . . . . . . . 240 D CA . 51179 1 486 . 1 . 1 111 111 GLY H H 1 8.49661001748277 . . . . . . . . 241 G HN . 51179 1 487 . 1 . 1 111 111 GLY CA C 13 46.6822899112663 . . . . . . . . 241 G CA . 51179 1 488 . 1 . 1 111 111 GLY N N 15 111.045367961764 . . . . . . . . 241 G N . 51179 1 489 . 1 . 1 112 112 LYS C C 13 173.419070034066 . . . . . . . . 242 K C . 51179 1 490 . 1 . 1 112 112 LYS CA C 13 57.4012899112663 . . . . . . . . 242 K CA . 51179 1 491 . 1 . 1 112 112 LYS CB C 13 35.2712899112663 . . . . . . . . 242 K CB . 51179 1 492 . 1 . 1 113 113 LYS H H 1 9.46861001748277 . . . . . . . . 243 K HN . 51179 1 493 . 1 . 1 113 113 LYS C C 13 174.544070034066 . . . . . . . . 243 K C . 51179 1 494 . 1 . 1 113 113 LYS CA C 13 59.8492899112663 . . . . . . . . 243 K CA . 51179 1 495 . 1 . 1 113 113 LYS CB C 13 33.5462899112663 . . . . . . . . 243 K CB . 51179 1 496 . 1 . 1 113 113 LYS N N 15 124.112367961764 . . . . . . . . 243 K N . 51179 1 497 . 1 . 1 114 114 GLU H H 1 8.75061001748277 . . . . . . . . 244 E HN . 51179 1 498 . 1 . 1 114 114 GLU C C 13 172.242070034066 . . . . . . . . 244 E C . 51179 1 499 . 1 . 1 114 114 GLU CA C 13 58.7252899112663 . . . . . . . . 244 E CA . 51179 1 500 . 1 . 1 114 114 GLU CB C 13 34.8432899112663 . . . . . . . . 244 E CB . 51179 1 501 . 1 . 1 114 114 GLU N N 15 127.442367961764 . . . . . . . . 244 E N . 51179 1 502 . 1 . 1 115 115 GLY H H 1 8.52761001748277 . . . . . . . . 245 G HN . 51179 1 503 . 1 . 1 115 115 GLY C C 13 169.246070034066 . . . . . . . . 245 G C . 51179 1 504 . 1 . 1 115 115 GLY CA C 13 47.7112899112663 . . . . . . . . 245 G CA . 51179 1 505 . 1 . 1 115 115 GLY N N 15 112.741367961764 . . . . . . . . 245 G N . 51179 1 506 . 1 . 1 116 116 ASP H H 1 6.61861001748277 . . . . . . . . 246 D HN . 51179 1 507 . 1 . 1 116 116 ASP C C 13 173.999070034066 . . . . . . . . 246 D C . 51179 1 508 . 1 . 1 116 116 ASP CA C 13 55.0842899112663 . . . . . . . . 246 D CA . 51179 1 509 . 1 . 1 116 116 ASP CB C 13 44.7592899112663 . . . . . . . . 246 D CB . 51179 1 510 . 1 . 1 116 116 ASP N N 15 120.064367961764 . . . . . . . . 246 D N . 51179 1 511 . 1 . 1 117 117 SER H H 1 8.29161001748277 . . . . . . . . 247 S HN . 51179 1 512 . 1 . 1 117 117 SER C C 13 171.090070034066 . . . . . . . . 247 S C . 51179 1 513 . 1 . 1 117 117 SER CA C 13 62.2192899112663 . . . . . . . . 247 S CA . 51179 1 514 . 1 . 1 117 117 SER CB C 13 65.5002899112664 . . . . . . . . 247 S CB . 51179 1 515 . 1 . 1 117 117 SER N N 15 122.532367961764 . . . . . . . . 247 S N . 51179 1 516 . 1 . 1 118 118 LEU H H 1 7.83761001748277 . . . . . . . . 248 L HN . 51179 1 517 . 1 . 1 118 118 LEU C C 13 172.254070034066 . . . . . . . . 248 L C . 51179 1 518 . 1 . 1 118 118 LEU CA C 13 55.6722899112663 . . . . . . . . 248 L CA . 51179 1 519 . 1 . 1 118 118 LEU CB C 13 45.5192899112663 . . . . . . . . 248 L CB . 51179 1 520 . 1 . 1 118 118 LEU N N 15 122.459367961764 . . . . . . . . 248 L N . 51179 1 521 . 1 . 1 119 119 ASP H H 1 8.91061001748277 . . . . . . . . 249 D HN . 51179 1 522 . 1 . 1 119 119 ASP C C 13 174.668070034066 . . . . . . . . 249 D C . 51179 1 523 . 1 . 1 119 119 ASP CA C 13 54.0982899112663 . . . . . . . . 249 D CA . 51179 1 524 . 1 . 1 119 119 ASP CB C 13 46.0752899112663 . . . . . . . . 249 D CB . 51179 1 525 . 1 . 1 119 119 ASP N N 15 120.952367961764 . . . . . . . . 249 D N . 51179 1 526 . 1 . 1 120 120 TYR H H 1 8.32161001748277 . . . . . . . . 250 Y HN . 51179 1 527 . 1 . 1 120 120 TYR C C 13 175.846070034066 . . . . . . . . 250 Y C . 51179 1 528 . 1 . 1 120 120 TYR CA C 13 65.1752899112663 . . . . . . . . 250 Y CA . 51179 1 529 . 1 . 1 120 120 TYR CB C 13 38.3422899112663 . . . . . . . . 250 Y CB . 51179 1 530 . 1 . 1 120 120 TYR N N 15 121.985367961764 . . . . . . . . 250 Y N . 51179 1 531 . 1 . 1 121 121 LYS H H 1 8.73661001748277 . . . . . . . . 251 K HN . 51179 1 532 . 1 . 1 121 121 LYS C C 13 173.150070034066 . . . . . . . . 251 K C . 51179 1 533 . 1 . 1 121 121 LYS CA C 13 60.5202899112663 . . . . . . . . 251 K CA . 51179 1 534 . 1 . 1 121 121 LYS CB C 13 32.8192899112663 . . . . . . . . 251 K CB . 51179 1 535 . 1 . 1 121 121 LYS N N 15 117.206367961764 . . . . . . . . 251 K N . 51179 1 536 . 1 . 1 122 122 ASP H H 1 7.24561001748277 . . . . . . . . 252 D HN . 51179 1 537 . 1 . 1 122 122 ASP C C 13 173.978070034066 . . . . . . . . 252 D C . 51179 1 538 . 1 . 1 122 122 ASP CA C 13 58.2572899112663 . . . . . . . . 252 D CA . 51179 1 539 . 1 . 1 122 122 ASP CB C 13 44.8872899112663 . . . . . . . . 252 D CB . 51179 1 540 . 1 . 1 122 122 ASP N N 15 115.302367961764 . . . . . . . . 252 D N . 51179 1 541 . 1 . 1 123 123 VAL H H 1 7.39061001748277 . . . . . . . . 253 V HN . 51179 1 542 . 1 . 1 123 123 VAL C C 13 172.243070034066 . . . . . . . . 253 V C . 51179 1 543 . 1 . 1 123 123 VAL CA C 13 64.3752899112664 . . . . . . . . 253 V CA . 51179 1 544 . 1 . 1 123 123 VAL CB C 13 36.4502899112663 . . . . . . . . 253 V CB . 51179 1 545 . 1 . 1 123 123 VAL N N 15 112.237367961764 . . . . . . . . 253 V N . 51179 1 546 . 1 . 1 124 124 ILE H H 1 8.60661001748277 . . . . . . . . 254 I HN . 51179 1 547 . 1 . 1 124 124 ILE C C 13 172.227070034066 . . . . . . . . 254 I C . 51179 1 548 . 1 . 1 124 124 ILE CA C 13 64.8242899112663 . . . . . . . . 254 I CA . 51179 1 549 . 1 . 1 124 124 ILE CB C 13 34.1942899112663 . . . . . . . . 254 I CB . 51179 1 550 . 1 . 1 124 124 ILE N N 15 123.228367961764 . . . . . . . . 254 I N . 51179 1 551 . 1 . 1 125 125 PRO C C 13 177.281070034066 . . . . . . . . 255 P C . 51179 1 552 . 1 . 1 125 125 PRO CA C 13 68.9932899112663 . . . . . . . . 255 P CA . 51179 1 553 . 1 . 1 125 125 PRO CB C 13 32.5322899112663 . . . . . . . . 255 P CB . 51179 1 554 . 1 . 1 126 126 MET H H 1 7.42861001748277 . . . . . . . . 256 M HN . 51179 1 555 . 1 . 1 126 126 MET C C 13 175.770070034066 . . . . . . . . 256 M C . 51179 1 556 . 1 . 1 126 126 MET CA C 13 60.6152899112663 . . . . . . . . 256 M CA . 51179 1 557 . 1 . 1 126 126 MET CB C 13 33.5622899112663 . . . . . . . . 256 M CB . 51179 1 558 . 1 . 1 126 126 MET N N 15 115.456367961764 . . . . . . . . 256 M N . 51179 1 559 . 1 . 1 127 127 ALA H H 1 7.62161001748277 . . . . . . . . 257 A HN . 51179 1 560 . 1 . 1 127 127 ALA C C 13 175.907070034066 . . . . . . . . 257 A C . 51179 1 561 . 1 . 1 127 127 ALA CA C 13 57.0842899112663 . . . . . . . . 257 A CA . 51179 1 562 . 1 . 1 127 127 ALA CB C 13 19.4132899112663 . . . . . . . . 257 A CB . 51179 1 563 . 1 . 1 127 127 ALA N N 15 123.603367961764 . . . . . . . . 257 A N . 51179 1 564 . 1 . 1 128 128 ASP H H 1 8.45361001748277 . . . . . . . . 258 D HN . 51179 1 565 . 1 . 1 128 128 ASP C C 13 177.686070034066 . . . . . . . . 258 D C . 51179 1 566 . 1 . 1 128 128 ASP CA C 13 59.5252899112663 . . . . . . . . 258 D CA . 51179 1 567 . 1 . 1 128 128 ASP CB C 13 41.6512899112663 . . . . . . . . 258 D CB . 51179 1 568 . 1 . 1 128 128 ASP N N 15 118.281367961764 . . . . . . . . 258 D N . 51179 1 569 . 1 . 1 129 129 ALA H H 1 8.10461001748277 . . . . . . . . 259 A HN . 51179 1 570 . 1 . 1 129 129 ALA C C 13 175.895070034066 . . . . . . . . 259 A C . 51179 1 571 . 1 . 1 129 129 ALA CA C 13 57.0062899112663 . . . . . . . . 259 A CA . 51179 1 572 . 1 . 1 129 129 ALA CB C 13 19.6112899112663 . . . . . . . . 259 A CB . 51179 1 573 . 1 . 1 129 129 ALA N N 15 123.899367961764 . . . . . . . . 259 A N . 51179 1 574 . 1 . 1 130 130 ALA H H 1 7.05861001748277 . . . . . . . . 260 A HN . 51179 1 575 . 1 . 1 130 130 ALA C C 13 174.122070034066 . . . . . . . . 260 A C . 51179 1 576 . 1 . 1 130 130 ALA CA C 13 54.0812899112663 . . . . . . . . 260 A CA . 51179 1 577 . 1 . 1 130 130 ALA CB C 13 21.0092899112663 . . . . . . . . 260 A CB . 51179 1 578 . 1 . 1 130 130 ALA N N 15 117.360367961764 . . . . . . . . 260 A N . 51179 1 579 . 1 . 1 131 131 GLY H H 1 7.61861001748277 . . . . . . . . 261 G HN . 51179 1 580 . 1 . 1 131 131 GLY C C 13 171.434070034066 . . . . . . . . 261 G C . 51179 1 581 . 1 . 1 131 131 GLY CA C 13 48.1452899112663 . . . . . . . . 261 G CA . 51179 1 582 . 1 . 1 131 131 GLY N N 15 106.743367961764 . . . . . . . . 261 G N . 51179 1 583 . 1 . 1 132 132 ILE H H 1 7.34661001748277 . . . . . . . . 262 I HN . 51179 1 584 . 1 . 1 132 132 ILE C C 13 172.476070034066 . . . . . . . . 262 I C . 51179 1 585 . 1 . 1 132 132 ILE CA C 13 63.2892899112664 . . . . . . . . 262 I CA . 51179 1 586 . 1 . 1 132 132 ILE CB C 13 40.3332899112663 . . . . . . . . 262 I CB . 51179 1 587 . 1 . 1 132 132 ILE N N 15 118.930367961764 . . . . . . . . 262 I N . 51179 1 588 . 1 . 1 134 134 ARG H H 1 8.76561001748277 . . . . . . . . 264 R HN . 51179 1 589 . 1 . 1 134 134 ARG C C 13 172.707070034066 . . . . . . . . 264 R C . 51179 1 590 . 1 . 1 134 134 ARG CA C 13 56.4972899112663 . . . . . . . . 264 R CA . 51179 1 591 . 1 . 1 134 134 ARG CB C 13 32.8052899112663 . . . . . . . . 264 R CB . 51179 1 592 . 1 . 1 134 134 ARG N N 15 124.442367961764 . . . . . . . . 264 R N . 51179 1 593 . 1 . 1 135 135 TYR H H 1 9.30161001748277 . . . . . . . . 265 Y HN . 51179 1 594 . 1 . 1 135 135 TYR C C 13 171.562070034066 . . . . . . . . 265 Y C . 51179 1 595 . 1 . 1 135 135 TYR CA C 13 59.1862899112663 . . . . . . . . 265 Y CA . 51179 1 596 . 1 . 1 135 135 TYR CB C 13 43.5962899112663 . . . . . . . . 265 Y CB . 51179 1 597 . 1 . 1 135 135 TYR N N 15 121.533367961764 . . . . . . . . 265 Y N . 51179 1 598 . 1 . 1 136 136 ALA H H 1 8.59461001748277 . . . . . . . . 266 A HN . 51179 1 599 . 1 . 1 136 136 ALA C C 13 171.131070034066 . . . . . . . . 266 A C . 51179 1 600 . 1 . 1 136 136 ALA CA C 13 52.6752899112663 . . . . . . . . 266 A CA . 51179 1 601 . 1 . 1 136 136 ALA CB C 13 24.5672899112663 . . . . . . . . 266 A CB . 51179 1 602 . 1 . 1 136 136 ALA N N 15 122.938367961764 . . . . . . . . 266 A N . 51179 1 603 . 1 . 1 137 137 ILE H H 1 9.22661001748277 . . . . . . . . 267 I HN . 51179 1 604 . 1 . 1 137 137 ILE C C 13 171.163070034066 . . . . . . . . 267 I C . 51179 1 605 . 1 . 1 137 137 ILE CA C 13 62.3022899112663 . . . . . . . . 267 I CA . 51179 1 606 . 1 . 1 137 137 ILE CB C 13 40.1202899112663 . . . . . . . . 267 I CB . 51179 1 607 . 1 . 1 137 137 ILE N N 15 123.904367961764 . . . . . . . . 267 I N . 51179 1 608 . 1 . 1 138 138 GLY H H 1 8.40361001748277 . . . . . . . . 268 G HN . 51179 1 609 . 1 . 1 138 138 GLY C C 13 169.119070034066 . . . . . . . . 268 G C . 51179 1 610 . 1 . 1 138 138 GLY CA C 13 47.4152899112663 . . . . . . . . 268 G CA . 51179 1 611 . 1 . 1 138 138 GLY N N 15 112.613367961764 . . . . . . . . 268 G N . 51179 1 612 . 1 . 1 139 139 VAL H H 1 8.54061001748277 . . . . . . . . 269 V HN . 51179 1 613 . 1 . 1 139 139 VAL C C 13 173.912070034066 . . . . . . . . 269 V C . 51179 1 614 . 1 . 1 139 139 VAL CA C 13 62.4782899112663 . . . . . . . . 269 V CA . 51179 1 615 . 1 . 1 139 139 VAL CB C 13 35.6922899112663 . . . . . . . . 269 V CB . 51179 1 616 . 1 . 1 139 139 VAL N N 15 124.889367961764 . . . . . . . . 269 V N . 51179 1 617 . 1 . 1 140 140 GLY H H 1 7.79561001748277 . . . . . . . . 270 G HN . 51179 1 618 . 1 . 1 140 140 GLY C C 13 173.225070034066 . . . . . . . . 270 G C . 51179 1 619 . 1 . 1 140 140 GLY CA C 13 46.9182899112663 . . . . . . . . 270 G CA . 51179 1 620 . 1 . 1 140 140 GLY N N 15 109.808367961764 . . . . . . . . 270 G N . 51179 1 621 . 1 . 1 141 141 LEU H H 1 8.50661001748277 . . . . . . . . 271 L HN . 51179 1 622 . 1 . 1 141 141 LEU C C 13 176.365070034066 . . . . . . . . 271 L C . 51179 1 623 . 1 . 1 141 141 LEU CA C 13 59.8542899112663 . . . . . . . . 271 L CA . 51179 1 624 . 1 . 1 141 141 LEU CB C 13 44.1042899112663 . . . . . . . . 271 L CB . 51179 1 625 . 1 . 1 141 141 LEU N N 15 119.784367961764 . . . . . . . . 271 L N . 51179 1 626 . 1 . 1 142 142 ALA H H 1 8.93261001748277 . . . . . . . . 272 A HN . 51179 1 627 . 1 . 1 142 142 ALA C C 13 176.021070034066 . . . . . . . . 272 A C . 51179 1 628 . 1 . 1 142 142 ALA CA C 13 54.0642899112663 . . . . . . . . 272 A CA . 51179 1 629 . 1 . 1 142 142 ALA CB C 13 20.4082899112663 . . . . . . . . 272 A CB . 51179 1 630 . 1 . 1 142 142 ALA N N 15 121.143367961764 . . . . . . . . 272 A N . 51179 1 631 . 1 . 1 143 143 PHE H H 1 7.00661001748277 . . . . . . . . 273 F HN . 51179 1 632 . 1 . 1 143 143 PHE C C 13 172.505070034066 . . . . . . . . 273 F C . 51179 1 633 . 1 . 1 143 143 PHE CA C 13 59.7712899112663 . . . . . . . . 273 F CA . 51179 1 634 . 1 . 1 143 143 PHE CB C 13 40.3032899112663 . . . . . . . . 273 F CB . 51179 1 635 . 1 . 1 143 143 PHE N N 15 110.692367961764 . . . . . . . . 273 F N . 51179 1 636 . 1 . 1 144 144 GLN H H 1 7.34161001748277 . . . . . . . . 274 Q HN . 51179 1 637 . 1 . 1 144 144 GLN C C 13 173.520070034066 . . . . . . . . 274 Q C . 51179 1 638 . 1 . 1 144 144 GLN CA C 13 59.7742899112664 . . . . . . . . 274 Q CA . 51179 1 639 . 1 . 1 144 144 GLN CB C 13 31.2822899112663 . . . . . . . . 274 Q CB . 51179 1 640 . 1 . 1 144 144 GLN N N 15 117.918367961764 . . . . . . . . 274 Q N . 51179 1 641 . 1 . 1 145 145 ASN H H 1 7.88661001748277 . . . . . . . . 275 N HN . 51179 1 642 . 1 . 1 145 145 ASN C C 13 172.966070034066 . . . . . . . . 275 N C . 51179 1 643 . 1 . 1 145 145 ASN CA C 13 54.8772899112663 . . . . . . . . 275 N CA . 51179 1 644 . 1 . 1 145 145 ASN CB C 13 41.9962899112663 . . . . . . . . 275 N CB . 51179 1 645 . 1 . 1 145 145 ASN N N 15 115.942367961764 . . . . . . . . 275 N N . 51179 1 646 . 1 . 1 146 146 ARG C C 13 174.752070034066 . . . . . . . . 276 R C . 51179 1 647 . 1 . 1 146 146 ARG CA C 13 60.3092899112663 . . . . . . . . 276 R CA . 51179 1 648 . 1 . 1 146 146 ARG CB C 13 31.2272899112663 . . . . . . . . 276 R CB . 51179 1 649 . 1 . 1 147 147 ASN H H 1 8.45761001748277 . . . . . . . . 277 N HN . 51179 1 650 . 1 . 1 147 147 ASN C C 13 174.252070034066 . . . . . . . . 277 N C . 51179 1 651 . 1 . 1 147 147 ASN CA C 13 57.6942899112663 . . . . . . . . 277 N CA . 51179 1 652 . 1 . 1 147 147 ASN CB C 13 39.7062899112663 . . . . . . . . 277 N CB . 51179 1 653 . 1 . 1 147 147 ASN N N 15 117.347367961764 . . . . . . . . 277 N N . 51179 1 654 . 1 . 1 148 148 SER H H 1 7.85861001748277 . . . . . . . . 278 S HN . 51179 1 655 . 1 . 1 148 148 SER C C 13 172.988070034066 . . . . . . . . 278 S C . 51179 1 656 . 1 . 1 148 148 SER CA C 13 62.8152899112664 . . . . . . . . 278 S CA . 51179 1 657 . 1 . 1 148 148 SER CB C 13 66.6952899112663 . . . . . . . . 278 S CB . 51179 1 658 . 1 . 1 148 148 SER N N 15 115.705367961764 . . . . . . . . 278 S N . 51179 1 659 . 1 . 1 149 149 TRP H H 1 7.50961001748277 . . . . . . . . 279 W HN . 51179 1 660 . 1 . 1 149 149 TRP C C 13 174.667070034066 . . . . . . . . 279 W C . 51179 1 661 . 1 . 1 149 149 TRP CA C 13 60.6982899112663 . . . . . . . . 279 W CA . 51179 1 662 . 1 . 1 149 149 TRP CB C 13 30.3322899112663 . . . . . . . . 279 W CB . 51179 1 663 . 1 . 1 149 149 TRP N N 15 122.050367961764 . . . . . . . . 279 W N . 51179 1 664 . 1 . 1 150 150 LYS H H 1 7.74261001748277 . . . . . . . . 280 K HN . 51179 1 665 . 1 . 1 150 150 LYS C C 13 174.039070034066 . . . . . . . . 280 K C . 51179 1 666 . 1 . 1 150 150 LYS CA C 13 61.6862899112663 . . . . . . . . 280 K CA . 51179 1 667 . 1 . 1 150 150 LYS CB C 13 33.9192899112663 . . . . . . . . 280 K CB . 51179 1 668 . 1 . 1 150 150 LYS N N 15 120.097367961764 . . . . . . . . 280 K N . 51179 1 669 . 1 . 1 151 151 GLU H H 1 7.37261001748277 . . . . . . . . 281 E HN . 51179 1 670 . 1 . 1 151 151 GLU C C 13 174.805070034066 . . . . . . . . 281 E C . 51179 1 671 . 1 . 1 151 151 GLU CA C 13 61.8292899112663 . . . . . . . . 281 E CA . 51179 1 672 . 1 . 1 151 151 GLU CB C 13 31.6492899112663 . . . . . . . . 281 E CB . 51179 1 673 . 1 . 1 151 151 GLU N N 15 117.924367961764 . . . . . . . . 281 E N . 51179 1 674 . 1 . 1 152 152 LEU H H 1 6.67961001748277 . . . . . . . . 282 L HN . 51179 1 675 . 1 . 1 152 152 LEU C C 13 175.497070034066 . . . . . . . . 282 L C . 51179 1 676 . 1 . 1 152 152 LEU CA C 13 59.2712899112664 . . . . . . . . 282 L CA . 51179 1 677 . 1 . 1 152 152 LEU CB C 13 41.6572899112663 . . . . . . . . 282 L CB . 51179 1 678 . 1 . 1 152 152 LEU N N 15 112.747367961764 . . . . . . . . 282 L N . 51179 1 679 . 1 . 1 153 153 ASN H H 1 7.62761001748277 . . . . . . . . 283 N HN . 51179 1 680 . 1 . 1 153 153 ASN C C 13 174.183070034066 . . . . . . . . 283 N C . 51179 1 681 . 1 . 1 153 153 ASN CA C 13 57.8702899112663 . . . . . . . . 283 N CA . 51179 1 682 . 1 . 1 153 153 ASN CB C 13 40.2382899112663 . . . . . . . . 283 N CB . 51179 1 683 . 1 . 1 153 153 ASN N N 15 116.917367961764 . . . . . . . . 283 N N . 51179 1 684 . 1 . 1 154 154 ASP H H 1 8.02061001748277 . . . . . . . . 284 D HN . 51179 1 685 . 1 . 1 154 154 ASP C C 13 175.682070034066 . . . . . . . . 284 D C . 51179 1 686 . 1 . 1 154 154 ASP CA C 13 58.7832899112663 . . . . . . . . 284 D CA . 51179 1 687 . 1 . 1 154 154 ASP CB C 13 42.2762899112663 . . . . . . . . 284 D CB . 51179 1 688 . 1 . 1 154 154 ASP N N 15 118.425367961764 . . . . . . . . 284 D N . 51179 1 689 . 1 . 1 155 155 ILE H H 1 6.78461001748277 . . . . . . . . 285 I HN . 51179 1 690 . 1 . 1 155 155 ILE C C 13 172.950070034066 . . . . . . . . 285 I C . 51179 1 691 . 1 . 1 155 155 ILE CA C 13 66.3342899112663 . . . . . . . . 285 I CA . 51179 1 692 . 1 . 1 155 155 ILE CB C 13 41.9882899112663 . . . . . . . . 285 I CB . 51179 1 693 . 1 . 1 155 155 ILE N N 15 118.997367961764 . . . . . . . . 285 I N . 51179 1 694 . 1 . 1 156 156 ALA H H 1 7.42561001748277 . . . . . . . . 286 A HN . 51179 1 695 . 1 . 1 156 156 ALA C C 13 175.369070034066 . . . . . . . . 286 A C . 51179 1 696 . 1 . 1 156 156 ALA CA C 13 54.5922899112663 . . . . . . . . 286 A CA . 51179 1 697 . 1 . 1 156 156 ALA CB C 13 23.3582899112663 . . . . . . . . 286 A CB . 51179 1 698 . 1 . 1 156 156 ALA N N 15 119.361367961764 . . . . . . . . 286 A N . 51179 1 699 . 1 . 1 157 157 SER H H 1 8.22461001748277 . . . . . . . . 287 S HN . 51179 1 700 . 1 . 1 157 157 SER C C 13 168.413070034066 . . . . . . . . 287 S C . 51179 1 701 . 1 . 1 157 157 SER CA C 13 63.1502899112663 . . . . . . . . 287 S CA . 51179 1 702 . 1 . 1 157 157 SER CB C 13 64.0782899112663 . . . . . . . . 287 S CB . 51179 1 703 . 1 . 1 157 157 SER N N 15 118.964367961764 . . . . . . . . 287 S N . 51179 1 704 . 1 . 1 158 158 LYS H H 1 8.10361001748277 . . . . . . . . 288 K HN . 51179 1 705 . 1 . 1 158 158 LYS C C 13 172.940070034066 . . . . . . . . 288 K C . 51179 1 706 . 1 . 1 158 158 LYS CA C 13 55.9232899112663 . . . . . . . . 288 K CA . 51179 1 707 . 1 . 1 158 158 LYS CB C 13 33.7752899112663 . . . . . . . . 288 K CB . 51179 1 708 . 1 . 1 158 158 LYS N N 15 118.222367961764 . . . . . . . . 288 K N . 51179 1 709 . 1 . 1 161 161 GLN C C 13 174.446070034066 . . . . . . . . 291 Q C . 51179 1 710 . 1 . 1 161 161 GLN CA C 13 60.8932899112663 . . . . . . . . 291 Q CA . 51179 1 711 . 1 . 1 161 161 GLN CB C 13 29.4852899112663 . . . . . . . . 291 Q CB . 51179 1 712 . 1 . 1 162 162 GLU H H 1 6.87961001748277 . . . . . . . . 292 E HN . 51179 1 713 . 1 . 1 162 162 GLU C C 13 172.988070034066 . . . . . . . . 292 E C . 51179 1 714 . 1 . 1 162 162 GLU CA C 13 58.1712899112663 . . . . . . . . 292 E CA . 51179 1 715 . 1 . 1 162 162 GLU CB C 13 32.1332899112663 . . . . . . . . 292 E CB . 51179 1 716 . 1 . 1 162 162 GLU N N 15 113.281367961764 . . . . . . . . 292 E N . 51179 1 717 . 1 . 1 163 163 HIS H H 1 7.62761001748277 . . . . . . . . 293 H HN . 51179 1 718 . 1 . 1 163 163 HIS C C 13 168.616070034066 . . . . . . . . 293 H C . 51179 1 719 . 1 . 1 163 163 HIS CA C 13 58.6512899112663 . . . . . . . . 293 H CA . 51179 1 720 . 1 . 1 163 163 HIS CB C 13 33.2272899112663 . . . . . . . . 293 H CB . 51179 1 721 . 1 . 1 163 163 HIS N N 15 114.186367961764 . . . . . . . . 293 H N . 51179 1 722 . 1 . 1 164 164 ILE H H 1 6.55961001748277 . . . . . . . . 294 I HN . 51179 1 723 . 1 . 1 164 164 ILE C C 13 172.117070034066 . . . . . . . . 294 I C . 51179 1 724 . 1 . 1 164 164 ILE CA C 13 61.8212899112663 . . . . . . . . 294 I CA . 51179 1 725 . 1 . 1 164 164 ILE CB C 13 44.0412899112663 . . . . . . . . 294 I CB . 51179 1 726 . 1 . 1 164 164 ILE N N 15 115.625367961764 . . . . . . . . 294 I N . 51179 1 727 . 1 . 1 165 165 PHE H H 1 8.81361001748277 . . . . . . . . 295 F HN . 51179 1 728 . 1 . 1 165 165 PHE C C 13 170.399070034066 . . . . . . . . 295 F C . 51179 1 729 . 1 . 1 165 165 PHE CA C 13 58.8782899112663 . . . . . . . . 295 F CA . 51179 1 730 . 1 . 1 165 165 PHE CB C 13 44.6202899112663 . . . . . . . . 295 F CB . 51179 1 731 . 1 . 1 165 165 PHE N N 15 122.395367961764 . . . . . . . . 295 F N . 51179 1 732 . 1 . 1 166 166 LYS H H 1 8.50761001748277 . . . . . . . . 296 K HN . 51179 1 733 . 1 . 1 166 166 LYS C C 13 172.583070034066 . . . . . . . . 296 K C . 51179 1 734 . 1 . 1 166 166 LYS CA C 13 57.4792899112663 . . . . . . . . 296 K CA . 51179 1 735 . 1 . 1 166 166 LYS CB C 13 34.1602899112663 . . . . . . . . 296 K CB . 51179 1 736 . 1 . 1 166 166 LYS N N 15 122.638367961764 . . . . . . . . 296 K N . 51179 1 737 . 1 . 1 167 167 VAL H H 1 8.47461001748277 . . . . . . . . 297 V HN . 51179 1 738 . 1 . 1 167 167 VAL C C 13 173.765070034066 . . . . . . . . 297 V C . 51179 1 739 . 1 . 1 167 167 VAL CA C 13 61.9702899112663 . . . . . . . . 297 V CA . 51179 1 740 . 1 . 1 167 167 VAL CB C 13 36.1872899112663 . . . . . . . . 297 V CB . 51179 1 741 . 1 . 1 167 167 VAL N N 15 120.416367961764 . . . . . . . . 297 V N . 51179 1 742 . 1 . 1 168 168 GLU H H 1 9.19261001748277 . . . . . . . . 298 E HN . 51179 1 743 . 1 . 1 168 168 GLU C C 13 172.150070034066 . . . . . . . . 298 E C . 51179 1 744 . 1 . 1 168 168 GLU CA C 13 62.0962899112663 . . . . . . . . 298 E CA . 51179 1 745 . 1 . 1 168 168 GLU CB C 13 32.0682899112663 . . . . . . . . 298 E CB . 51179 1 746 . 1 . 1 168 168 GLU N N 15 125.571367961764 . . . . . . . . 298 E N . 51179 1 747 . 1 . 1 169 169 ASP H H 1 6.96761001748277 . . . . . . . . 299 D HN . 51179 1 748 . 1 . 1 169 169 ASP C C 13 172.722070034066 . . . . . . . . 299 D C . 51179 1 749 . 1 . 1 169 169 ASP CA C 13 54.7832899112663 . . . . . . . . 299 D CA . 51179 1 750 . 1 . 1 169 169 ASP CB C 13 44.1472899112663 . . . . . . . . 299 D CB . 51179 1 751 . 1 . 1 169 169 ASP N N 15 110.134367961764 . . . . . . . . 299 D N . 51179 1 752 . 1 . 1 170 170 PHE H H 1 8.55861001748277 . . . . . . . . 300 F HN . 51179 1 753 . 1 . 1 170 170 PHE C C 13 175.243070034066 . . . . . . . . 300 F C . 51179 1 754 . 1 . 1 170 170 PHE CA C 13 64.9652899112663 . . . . . . . . 300 F CA . 51179 1 755 . 1 . 1 170 170 PHE CB C 13 40.6112899112663 . . . . . . . . 300 F CB . 51179 1 756 . 1 . 1 170 170 PHE N N 15 116.968367961764 . . . . . . . . 300 F N . 51179 1 757 . 1 . 1 171 171 ASP H H 1 8.24061001748277 . . . . . . . . 301 D HN . 51179 1 758 . 1 . 1 171 171 ASP C C 13 172.644070034066 . . . . . . . . 301 D C . 51179 1 759 . 1 . 1 171 171 ASP CA C 13 59.2722899112663 . . . . . . . . 301 D CA . 51179 1 760 . 1 . 1 171 171 ASP CB C 13 42.2012899112663 . . . . . . . . 301 D CB . 51179 1 761 . 1 . 1 171 171 ASP N N 15 119.658367961764 . . . . . . . . 301 D N . 51179 1 762 . 1 . 1 172 172 ALA H H 1 7.41761001748277 . . . . . . . . 302 A HN . 51179 1 763 . 1 . 1 172 172 ALA C C 13 176.142070034066 . . . . . . . . 302 A C . 51179 1 764 . 1 . 1 172 172 ALA CA C 13 54.2312899112663 . . . . . . . . 302 A CA . 51179 1 765 . 1 . 1 172 172 ALA CB C 13 21.2432899112663 . . . . . . . . 302 A CB . 51179 1 766 . 1 . 1 172 172 ALA N N 15 119.649367961764 . . . . . . . . 302 A N . 51179 1 767 . 1 . 1 173 173 LEU H H 1 7.34361001748277 . . . . . . . . 303 L HN . 51179 1 768 . 1 . 1 173 173 LEU C C 13 175.202070034066 . . . . . . . . 303 L C . 51179 1 769 . 1 . 1 173 173 LEU CA C 13 60.1792899112663 . . . . . . . . 303 L CA . 51179 1 770 . 1 . 1 173 173 LEU CB C 13 41.6132899112663 . . . . . . . . 303 L CB . 51179 1 771 . 1 . 1 173 173 LEU N N 15 121.224367961764 . . . . . . . . 303 L N . 51179 1 772 . 1 . 1 174 174 LYS H H 1 7.89361001748277 . . . . . . . . 304 K HN . 51179 1 773 . 1 . 1 174 174 LYS C C 13 174.990070034066 . . . . . . . . 304 K C . 51179 1 774 . 1 . 1 174 174 LYS CA C 13 60.4112899112663 . . . . . . . . 304 K CA . 51179 1 775 . 1 . 1 174 174 LYS CB C 13 32.9882899112663 . . . . . . . . 304 K CB . 51179 1 776 . 1 . 1 174 174 LYS N N 15 113.841367961764 . . . . . . . . 304 K N . 51179 1 777 . 1 . 1 175 175 ASP H H 1 7.34861001748277 . . . . . . . . 305 D HN . 51179 1 778 . 1 . 1 175 175 ASP C C 13 174.953070034066 . . . . . . . . 305 D C . 51179 1 779 . 1 . 1 175 175 ASP CA C 13 58.5302899112663 . . . . . . . . 305 D CA . 51179 1 780 . 1 . 1 175 175 ASP CB C 13 42.7522899112663 . . . . . . . . 305 D CB . 51179 1 781 . 1 . 1 175 175 ASP N N 15 118.936367961764 . . . . . . . . 305 D N . 51179 1 782 . 1 . 1 176 176 ILE H H 1 7.57861001748277 . . . . . . . . 306 I HN . 51179 1 783 . 1 . 1 176 176 ILE C C 13 173.409070034066 . . . . . . . . 306 I C . 51179 1 784 . 1 . 1 176 176 ILE CA C 13 63.2072899112663 . . . . . . . . 306 I CA . 51179 1 785 . 1 . 1 176 176 ILE CB C 13 40.2722899112663 . . . . . . . . 306 I CB . 51179 1 786 . 1 . 1 176 176 ILE N N 15 110.480367961764 . . . . . . . . 306 I N . 51179 1 787 . 1 . 1 177 177 GLN H H 1 7.09861001748277 . . . . . . . . 307 Q HN . 51179 1 788 . 1 . 1 177 177 GLN C C 13 174.067070034066 . . . . . . . . 307 Q C . 51179 1 789 . 1 . 1 177 177 GLN CA C 13 62.5432899112663 . . . . . . . . 307 Q CA . 51179 1 790 . 1 . 1 177 177 GLN CB C 13 30.9452899112663 . . . . . . . . 307 Q CB . 51179 1 791 . 1 . 1 177 177 GLN N N 15 120.702367961764 . . . . . . . . 307 Q N . 51179 1 792 . 1 . 1 178 178 ASN H H 1 8.56161001748277 . . . . . . . . 308 N HN . 51179 1 793 . 1 . 1 178 178 ASN C C 13 174.335070034066 . . . . . . . . 308 N C . 51179 1 794 . 1 . 1 178 178 ASN CA C 13 58.0242899112663 . . . . . . . . 308 N CA . 51179 1 795 . 1 . 1 178 178 ASN CB C 13 39.6112899112663 . . . . . . . . 308 N CB . 51179 1 796 . 1 . 1 178 178 ASN N N 15 116.742367961764 . . . . . . . . 308 N N . 51179 1 797 . 1 . 1 179 179 GLN H H 1 8.03261001748277 . . . . . . . . 309 Q HN . 51179 1 798 . 1 . 1 179 179 GLN C C 13 175.607070034066 . . . . . . . . 309 Q C . 51179 1 799 . 1 . 1 179 179 GLN CA C 13 61.1592899112663 . . . . . . . . 309 Q CA . 51179 1 800 . 1 . 1 179 179 GLN CB C 13 31.1612899112663 . . . . . . . . 309 Q CB . 51179 1 801 . 1 . 1 179 179 GLN N N 15 120.544367961764 . . . . . . . . 309 Q N . 51179 1 802 . 1 . 1 180 180 LEU H H 1 8.03461001748277 . . . . . . . . 310 L HN . 51179 1 803 . 1 . 1 180 180 LEU C C 13 174.241070034066 . . . . . . . . 310 L C . 51179 1 804 . 1 . 1 180 180 LEU CA C 13 60.4402899112663 . . . . . . . . 310 L CA . 51179 1 805 . 1 . 1 180 180 LEU CB C 13 43.1122899112663 . . . . . . . . 310 L CB . 51179 1 806 . 1 . 1 180 180 LEU N N 15 119.302367961764 . . . . . . . . 310 L N . 51179 1 807 . 1 . 1 181 181 LYS H H 1 7.45461001748277 . . . . . . . . 311 K HN . 51179 1 808 . 1 . 1 181 181 LYS C C 13 174.365070034066 . . . . . . . . 311 K C . 51179 1 809 . 1 . 1 181 181 LYS CA C 13 62.5132899112663 . . . . . . . . 311 K CA . 51179 1 810 . 1 . 1 181 181 LYS CB C 13 33.3372899112663 . . . . . . . . 311 K CB . 51179 1 811 . 1 . 1 181 181 LYS N N 15 117.377367961764 . . . . . . . . 311 K N . 51179 1 812 . 1 . 1 182 182 GLU H H 1 8.01961001748277 . . . . . . . . 312 E HN . 51179 1 813 . 1 . 1 182 182 GLU C C 13 177.081070034066 . . . . . . . . 312 E C . 51179 1 814 . 1 . 1 182 182 GLU CA C 13 61.5732899112663 . . . . . . . . 312 E CA . 51179 1 815 . 1 . 1 182 182 GLU CB C 13 31.1212899112663 . . . . . . . . 312 E CB . 51179 1 816 . 1 . 1 182 182 GLU N N 15 116.234367961764 . . . . . . . . 312 E N . 51179 1 817 . 1 . 1 183 183 LYS H H 1 7.84761001748277 . . . . . . . . 313 K HN . 51179 1 818 . 1 . 1 183 183 LYS C C 13 176.403070034066 . . . . . . . . 313 K C . 51179 1 819 . 1 . 1 183 183 LYS CA C 13 61.5442899112663 . . . . . . . . 313 K CA . 51179 1 820 . 1 . 1 183 183 LYS CB C 13 33.7022899112663 . . . . . . . . 313 K CB . 51179 1 821 . 1 . 1 183 183 LYS N N 15 118.547367961764 . . . . . . . . 313 K N . 51179 1 822 . 1 . 1 184 184 ILE H H 1 7.71861001748277 . . . . . . . . 314 I HN . 51179 1 823 . 1 . 1 184 184 ILE C C 13 176.041070034066 . . . . . . . . 314 I C . 51179 1 824 . 1 . 1 184 184 ILE CA C 13 67.0602899112664 . . . . . . . . 314 I CA . 51179 1 825 . 1 . 1 184 184 ILE CB C 13 39.8622899112663 . . . . . . . . 314 I CB . 51179 1 826 . 1 . 1 184 184 ILE N N 15 119.704367961764 . . . . . . . . 314 I N . 51179 1 827 . 1 . 1 185 185 PHE H H 1 7.83661001748277 . . . . . . . . 315 F HN . 51179 1 828 . 1 . 1 185 185 PHE C C 13 174.637070034066 . . . . . . . . 315 F C . 51179 1 829 . 1 . 1 185 185 PHE CA C 13 62.2222899112663 . . . . . . . . 315 F CA . 51179 1 830 . 1 . 1 185 185 PHE CB C 13 32.2622899112663 . . . . . . . . 315 F CB . 51179 1 831 . 1 . 1 185 185 PHE N N 15 116.671367961764 . . . . . . . . 315 F N . 51179 1 832 . 1 . 1 186 186 ALA H H 1 7.74861001748277 . . . . . . . . 316 A HN . 51179 1 833 . 1 . 1 186 186 ALA C C 13 177.937070034066 . . . . . . . . 316 A C . 51179 1 834 . 1 . 1 186 186 ALA CA C 13 57.0992899112663 . . . . . . . . 316 A CA . 51179 1 835 . 1 . 1 186 186 ALA CB C 13 19.7332899112663 . . . . . . . . 316 A CB . 51179 1 836 . 1 . 1 186 186 ALA N N 15 121.478367961764 . . . . . . . . 316 A N . 51179 1 837 . 1 . 1 187 187 ILE C C 13 173.894070034066 . . . . . . . . 317 I C . 51179 1 838 . 1 . 1 187 187 ILE CA C 13 65.3092899112663 . . . . . . . . 317 I CA . 51179 1 839 . 1 . 1 187 187 ILE CB C 13 33.9462899112663 . . . . . . . . 317 I CB . 51179 1 840 . 1 . 1 188 188 GLU H H 1 8.34461001748277 . . . . . . . . 318 E HN . 51179 1 841 . 1 . 1 188 188 GLU C C 13 174.023070034066 . . . . . . . . 318 E C . 51179 1 842 . 1 . 1 188 188 GLU CA C 13 58.5772899112663 . . . . . . . . 318 E CA . 51179 1 843 . 1 . 1 188 188 GLU CB C 13 32.4762899112663 . . . . . . . . 318 E CB . 51179 1 844 . 1 . 1 188 188 GLU N N 15 121.689367961764 . . . . . . . . 318 E N . 51179 1 845 . 1 . 1 189 189 GLY H H 1 8.34861001748277 . . . . . . . . 319 G HN . 51179 1 846 . 1 . 1 189 189 GLY C C 13 171.026070034066 . . . . . . . . 319 G C . 51179 1 847 . 1 . 1 189 189 GLY CA C 13 47.4462899112663 . . . . . . . . 319 G CA . 51179 1 848 . 1 . 1 189 189 GLY N N 15 109.997367961764 . . . . . . . . 319 G N . 51179 1 stop_ save_