data_51101 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51101 _Entry.Title ; Backbone assignments of the heavy and light chains from the HLA-A*02:01/b2m/ELAGIGILTV(MART-1) human MHC-I protein complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-24 _Entry.Accession_date 2021-09-24 _Entry.Last_release_date 2021-09-24 _Entry.Original_release_date 2021-09-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Hau Truong . V. . 0000-0002-0059-2793 51101 2 Nikolaos Sgourakis . G. . 0000-0003-3655-3902 51101 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 51101 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 794 51101 '15N chemical shifts' 304 51101 '1H chemical shifts' 304 51101 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-06-15 . original BMRB . 51101 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51097 'Free Human Beta-2 microglobulin backbone and methyl assignment' 51101 BMRB 51098 'HLA-B*44:05 with EEFGRAFSF peptide in complex with human beta-2 microglobulin' 51101 BMRB 51099 'human beta-2 microglobulin in complex with HLA-B*44:05/EEFGRC methyls' 51101 BMRB 51100 'HLA-B*44:05, 6mer, and tapasin complex' 51101 PDB 1JF1 'Hb2m with HLA-A*02:01 + MART-1' 51101 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51101 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37310998 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Universal open MHC-I molecules for rapid peptide loading and enhanced complex stability across HLA allotypes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 120 _Citation.Journal_issue 25 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 e2304055120 _Citation.Page_last e2304055120 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yi Sun Y. . . . 51101 1 2 Michael Young M. C. . . 51101 1 3 Claire Woodward C. H. . . 51101 1 4 Julia Danon J. N. . . 51101 1 5 Hau Truong H. V. . . 51101 1 6 Sagar Gupta S. . . . 51101 1 7 Trenton Winters T. J. . . 51101 1 8 Joan Font-Burgada J. . . . 51101 1 9 George Burslem G. M. . . 51101 1 10 Nikolaos Sgourakis N. G. . . 51101 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51101 _Assembly.ID 1 _Assembly.Name 'HLA-A*02:01/MART-1/Human Beta-2 microglobulin' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HLA-A*02:01 1 $entity_1 . . yes native no no . . . 51101 1 2 'Human Beta-2 microglobulin' 2 $entity_2 . . yes native no no . . . 51101 1 3 MART-1 3 $entity_3 . . no native no no . . . 51101 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 102 102 SG . 1 . 1 CYS 165 165 SG . . . 101 CYS SG . . . 164 CYS SG 51101 1 2 disulfide single . 1 . 1 CYS 204 204 SG . 1 . 1 CYS 260 260 SG . . . 203 CYS SG . . . 259 CYS SG 51101 1 3 disulfide single . 2 . 2 CYS 26 26 SG . 2 . 2 CYS 81 81 SG . . . 25 CYS SG . . . 80 CYS SG 51101 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51101 _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 ; MGSHSMRYFFTSVSRPGRGE PRFIAVGYVDDTQFVRFDSD AASQRMEPRAPWIEQEGPEY WDGETRKVKAHSQTHRVDLG TLRGYYNQSEAGSHTVQRMY GCDVGSDWRFLRGYHQYAYD GKDYIALKEDLRSWTAADMA AQTTKHKWEAAHVAEQLRAY LEGTCVEWLRRYLENGKETL QRTDAPKTHMTHHAVSDHEA TLRCWALSFYPAEITLTWQR DGEDQTQDTELVETRPAGDG TFQKWAAVVVPSGQEQRYTC HVQHEGLPKPLTLRWEP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 277 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 51101 1 2 1 GLY . 51101 1 3 2 SER . 51101 1 4 3 HIS . 51101 1 5 4 SER . 51101 1 6 5 MET . 51101 1 7 6 ARG . 51101 1 8 7 TYR . 51101 1 9 8 PHE . 51101 1 10 9 PHE . 51101 1 11 10 THR . 51101 1 12 11 SER . 51101 1 13 12 VAL . 51101 1 14 13 SER . 51101 1 15 14 ARG . 51101 1 16 15 PRO . 51101 1 17 16 GLY . 51101 1 18 17 ARG . 51101 1 19 18 GLY . 51101 1 20 19 GLU . 51101 1 21 20 PRO . 51101 1 22 21 ARG . 51101 1 23 22 PHE . 51101 1 24 23 ILE . 51101 1 25 24 ALA . 51101 1 26 25 VAL . 51101 1 27 26 GLY . 51101 1 28 27 TYR . 51101 1 29 28 VAL . 51101 1 30 29 ASP . 51101 1 31 30 ASP . 51101 1 32 31 THR . 51101 1 33 32 GLN . 51101 1 34 33 PHE . 51101 1 35 34 VAL . 51101 1 36 35 ARG . 51101 1 37 36 PHE . 51101 1 38 37 ASP . 51101 1 39 38 SER . 51101 1 40 39 ASP . 51101 1 41 40 ALA . 51101 1 42 41 ALA . 51101 1 43 42 SER . 51101 1 44 43 GLN . 51101 1 45 44 ARG . 51101 1 46 45 MET . 51101 1 47 46 GLU . 51101 1 48 47 PRO . 51101 1 49 48 ARG . 51101 1 50 49 ALA . 51101 1 51 50 PRO . 51101 1 52 51 TRP . 51101 1 53 52 ILE . 51101 1 54 53 GLU . 51101 1 55 54 GLN . 51101 1 56 55 GLU . 51101 1 57 56 GLY . 51101 1 58 57 PRO . 51101 1 59 58 GLU . 51101 1 60 59 TYR . 51101 1 61 60 TRP . 51101 1 62 61 ASP . 51101 1 63 62 GLY . 51101 1 64 63 GLU . 51101 1 65 64 THR . 51101 1 66 65 ARG . 51101 1 67 66 LYS . 51101 1 68 67 VAL . 51101 1 69 68 LYS . 51101 1 70 69 ALA . 51101 1 71 70 HIS . 51101 1 72 71 SER . 51101 1 73 72 GLN . 51101 1 74 73 THR . 51101 1 75 74 HIS . 51101 1 76 75 ARG . 51101 1 77 76 VAL . 51101 1 78 77 ASP . 51101 1 79 78 LEU . 51101 1 80 79 GLY . 51101 1 81 80 THR . 51101 1 82 81 LEU . 51101 1 83 82 ARG . 51101 1 84 83 GLY . 51101 1 85 84 TYR . 51101 1 86 85 TYR . 51101 1 87 86 ASN . 51101 1 88 87 GLN . 51101 1 89 88 SER . 51101 1 90 89 GLU . 51101 1 91 90 ALA . 51101 1 92 91 GLY . 51101 1 93 92 SER . 51101 1 94 93 HIS . 51101 1 95 94 THR . 51101 1 96 95 VAL . 51101 1 97 96 GLN . 51101 1 98 97 ARG . 51101 1 99 98 MET . 51101 1 100 99 TYR . 51101 1 101 100 GLY . 51101 1 102 101 CYS . 51101 1 103 102 ASP . 51101 1 104 103 VAL . 51101 1 105 104 GLY . 51101 1 106 105 SER . 51101 1 107 106 ASP . 51101 1 108 107 TRP . 51101 1 109 108 ARG . 51101 1 110 109 PHE . 51101 1 111 110 LEU . 51101 1 112 111 ARG . 51101 1 113 112 GLY . 51101 1 114 113 TYR . 51101 1 115 114 HIS . 51101 1 116 115 GLN . 51101 1 117 116 TYR . 51101 1 118 117 ALA . 51101 1 119 118 TYR . 51101 1 120 119 ASP . 51101 1 121 120 GLY . 51101 1 122 121 LYS . 51101 1 123 122 ASP . 51101 1 124 123 TYR . 51101 1 125 124 ILE . 51101 1 126 125 ALA . 51101 1 127 126 LEU . 51101 1 128 127 LYS . 51101 1 129 128 GLU . 51101 1 130 129 ASP . 51101 1 131 130 LEU . 51101 1 132 131 ARG . 51101 1 133 132 SER . 51101 1 134 133 TRP . 51101 1 135 134 THR . 51101 1 136 135 ALA . 51101 1 137 136 ALA . 51101 1 138 137 ASP . 51101 1 139 138 MET . 51101 1 140 139 ALA . 51101 1 141 140 ALA . 51101 1 142 141 GLN . 51101 1 143 142 THR . 51101 1 144 143 THR . 51101 1 145 144 LYS . 51101 1 146 145 HIS . 51101 1 147 146 LYS . 51101 1 148 147 TRP . 51101 1 149 148 GLU . 51101 1 150 149 ALA . 51101 1 151 150 ALA . 51101 1 152 151 HIS . 51101 1 153 152 VAL . 51101 1 154 153 ALA . 51101 1 155 154 GLU . 51101 1 156 155 GLN . 51101 1 157 156 LEU . 51101 1 158 157 ARG . 51101 1 159 158 ALA . 51101 1 160 159 TYR . 51101 1 161 160 LEU . 51101 1 162 161 GLU . 51101 1 163 162 GLY . 51101 1 164 163 THR . 51101 1 165 164 CYS . 51101 1 166 165 VAL . 51101 1 167 166 GLU . 51101 1 168 167 TRP . 51101 1 169 168 LEU . 51101 1 170 169 ARG . 51101 1 171 170 ARG . 51101 1 172 171 TYR . 51101 1 173 172 LEU . 51101 1 174 173 GLU . 51101 1 175 174 ASN . 51101 1 176 175 GLY . 51101 1 177 176 LYS . 51101 1 178 177 GLU . 51101 1 179 178 THR . 51101 1 180 179 LEU . 51101 1 181 180 GLN . 51101 1 182 181 ARG . 51101 1 183 182 THR . 51101 1 184 183 ASP . 51101 1 185 184 ALA . 51101 1 186 185 PRO . 51101 1 187 186 LYS . 51101 1 188 187 THR . 51101 1 189 188 HIS . 51101 1 190 189 MET . 51101 1 191 190 THR . 51101 1 192 191 HIS . 51101 1 193 192 HIS . 51101 1 194 193 ALA . 51101 1 195 194 VAL . 51101 1 196 195 SER . 51101 1 197 196 ASP . 51101 1 198 197 HIS . 51101 1 199 198 GLU . 51101 1 200 199 ALA . 51101 1 201 200 THR . 51101 1 202 201 LEU . 51101 1 203 202 ARG . 51101 1 204 203 CYS . 51101 1 205 204 TRP . 51101 1 206 205 ALA . 51101 1 207 206 LEU . 51101 1 208 207 SER . 51101 1 209 208 PHE . 51101 1 210 209 TYR . 51101 1 211 210 PRO . 51101 1 212 211 ALA . 51101 1 213 212 GLU . 51101 1 214 213 ILE . 51101 1 215 214 THR . 51101 1 216 215 LEU . 51101 1 217 216 THR . 51101 1 218 217 TRP . 51101 1 219 218 GLN . 51101 1 220 219 ARG . 51101 1 221 220 ASP . 51101 1 222 221 GLY . 51101 1 223 222 GLU . 51101 1 224 223 ASP . 51101 1 225 224 GLN . 51101 1 226 225 THR . 51101 1 227 226 GLN . 51101 1 228 227 ASP . 51101 1 229 228 THR . 51101 1 230 229 GLU . 51101 1 231 230 LEU . 51101 1 232 231 VAL . 51101 1 233 232 GLU . 51101 1 234 233 THR . 51101 1 235 234 ARG . 51101 1 236 235 PRO . 51101 1 237 236 ALA . 51101 1 238 237 GLY . 51101 1 239 238 ASP . 51101 1 240 239 GLY . 51101 1 241 240 THR . 51101 1 242 241 PHE . 51101 1 243 242 GLN . 51101 1 244 243 LYS . 51101 1 245 244 TRP . 51101 1 246 245 ALA . 51101 1 247 246 ALA . 51101 1 248 247 VAL . 51101 1 249 248 VAL . 51101 1 250 249 VAL . 51101 1 251 250 PRO . 51101 1 252 251 SER . 51101 1 253 252 GLY . 51101 1 254 253 GLN . 51101 1 255 254 GLU . 51101 1 256 255 GLN . 51101 1 257 256 ARG . 51101 1 258 257 TYR . 51101 1 259 258 THR . 51101 1 260 259 CYS . 51101 1 261 260 HIS . 51101 1 262 261 VAL . 51101 1 263 262 GLN . 51101 1 264 263 HIS . 51101 1 265 264 GLU . 51101 1 266 265 GLY . 51101 1 267 266 LEU . 51101 1 268 267 PRO . 51101 1 269 268 LYS . 51101 1 270 269 PRO . 51101 1 271 270 LEU . 51101 1 272 271 THR . 51101 1 273 272 LEU . 51101 1 274 273 ARG . 51101 1 275 274 TRP . 51101 1 276 275 GLU . 51101 1 277 276 PRO . 51101 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51101 1 . GLY 2 2 51101 1 . SER 3 3 51101 1 . HIS 4 4 51101 1 . SER 5 5 51101 1 . MET 6 6 51101 1 . ARG 7 7 51101 1 . TYR 8 8 51101 1 . PHE 9 9 51101 1 . PHE 10 10 51101 1 . THR 11 11 51101 1 . SER 12 12 51101 1 . VAL 13 13 51101 1 . SER 14 14 51101 1 . ARG 15 15 51101 1 . PRO 16 16 51101 1 . GLY 17 17 51101 1 . ARG 18 18 51101 1 . GLY 19 19 51101 1 . GLU 20 20 51101 1 . PRO 21 21 51101 1 . ARG 22 22 51101 1 . PHE 23 23 51101 1 . ILE 24 24 51101 1 . ALA 25 25 51101 1 . VAL 26 26 51101 1 . GLY 27 27 51101 1 . TYR 28 28 51101 1 . VAL 29 29 51101 1 . ASP 30 30 51101 1 . ASP 31 31 51101 1 . THR 32 32 51101 1 . GLN 33 33 51101 1 . PHE 34 34 51101 1 . VAL 35 35 51101 1 . ARG 36 36 51101 1 . PHE 37 37 51101 1 . ASP 38 38 51101 1 . SER 39 39 51101 1 . ASP 40 40 51101 1 . ALA 41 41 51101 1 . ALA 42 42 51101 1 . SER 43 43 51101 1 . GLN 44 44 51101 1 . ARG 45 45 51101 1 . MET 46 46 51101 1 . GLU 47 47 51101 1 . PRO 48 48 51101 1 . ARG 49 49 51101 1 . ALA 50 50 51101 1 . PRO 51 51 51101 1 . TRP 52 52 51101 1 . ILE 53 53 51101 1 . GLU 54 54 51101 1 . GLN 55 55 51101 1 . GLU 56 56 51101 1 . GLY 57 57 51101 1 . PRO 58 58 51101 1 . GLU 59 59 51101 1 . TYR 60 60 51101 1 . TRP 61 61 51101 1 . ASP 62 62 51101 1 . GLY 63 63 51101 1 . GLU 64 64 51101 1 . THR 65 65 51101 1 . ARG 66 66 51101 1 . LYS 67 67 51101 1 . VAL 68 68 51101 1 . LYS 69 69 51101 1 . ALA 70 70 51101 1 . HIS 71 71 51101 1 . SER 72 72 51101 1 . GLN 73 73 51101 1 . THR 74 74 51101 1 . HIS 75 75 51101 1 . ARG 76 76 51101 1 . VAL 77 77 51101 1 . ASP 78 78 51101 1 . LEU 79 79 51101 1 . GLY 80 80 51101 1 . THR 81 81 51101 1 . LEU 82 82 51101 1 . ARG 83 83 51101 1 . GLY 84 84 51101 1 . TYR 85 85 51101 1 . TYR 86 86 51101 1 . ASN 87 87 51101 1 . GLN 88 88 51101 1 . SER 89 89 51101 1 . GLU 90 90 51101 1 . ALA 91 91 51101 1 . GLY 92 92 51101 1 . SER 93 93 51101 1 . HIS 94 94 51101 1 . THR 95 95 51101 1 . VAL 96 96 51101 1 . GLN 97 97 51101 1 . ARG 98 98 51101 1 . MET 99 99 51101 1 . TYR 100 100 51101 1 . GLY 101 101 51101 1 . CYS 102 102 51101 1 . ASP 103 103 51101 1 . VAL 104 104 51101 1 . GLY 105 105 51101 1 . SER 106 106 51101 1 . ASP 107 107 51101 1 . TRP 108 108 51101 1 . ARG 109 109 51101 1 . PHE 110 110 51101 1 . LEU 111 111 51101 1 . ARG 112 112 51101 1 . GLY 113 113 51101 1 . TYR 114 114 51101 1 . HIS 115 115 51101 1 . GLN 116 116 51101 1 . TYR 117 117 51101 1 . ALA 118 118 51101 1 . TYR 119 119 51101 1 . ASP 120 120 51101 1 . GLY 121 121 51101 1 . LYS 122 122 51101 1 . ASP 123 123 51101 1 . TYR 124 124 51101 1 . ILE 125 125 51101 1 . ALA 126 126 51101 1 . LEU 127 127 51101 1 . LYS 128 128 51101 1 . GLU 129 129 51101 1 . ASP 130 130 51101 1 . LEU 131 131 51101 1 . ARG 132 132 51101 1 . SER 133 133 51101 1 . TRP 134 134 51101 1 . THR 135 135 51101 1 . ALA 136 136 51101 1 . ALA 137 137 51101 1 . ASP 138 138 51101 1 . MET 139 139 51101 1 . ALA 140 140 51101 1 . ALA 141 141 51101 1 . GLN 142 142 51101 1 . THR 143 143 51101 1 . THR 144 144 51101 1 . LYS 145 145 51101 1 . HIS 146 146 51101 1 . LYS 147 147 51101 1 . TRP 148 148 51101 1 . GLU 149 149 51101 1 . ALA 150 150 51101 1 . ALA 151 151 51101 1 . HIS 152 152 51101 1 . VAL 153 153 51101 1 . ALA 154 154 51101 1 . GLU 155 155 51101 1 . GLN 156 156 51101 1 . LEU 157 157 51101 1 . ARG 158 158 51101 1 . ALA 159 159 51101 1 . TYR 160 160 51101 1 . LEU 161 161 51101 1 . GLU 162 162 51101 1 . GLY 163 163 51101 1 . THR 164 164 51101 1 . CYS 165 165 51101 1 . VAL 166 166 51101 1 . GLU 167 167 51101 1 . TRP 168 168 51101 1 . LEU 169 169 51101 1 . ARG 170 170 51101 1 . ARG 171 171 51101 1 . TYR 172 172 51101 1 . LEU 173 173 51101 1 . GLU 174 174 51101 1 . ASN 175 175 51101 1 . GLY 176 176 51101 1 . LYS 177 177 51101 1 . GLU 178 178 51101 1 . THR 179 179 51101 1 . LEU 180 180 51101 1 . GLN 181 181 51101 1 . ARG 182 182 51101 1 . THR 183 183 51101 1 . ASP 184 184 51101 1 . ALA 185 185 51101 1 . PRO 186 186 51101 1 . LYS 187 187 51101 1 . THR 188 188 51101 1 . HIS 189 189 51101 1 . MET 190 190 51101 1 . THR 191 191 51101 1 . HIS 192 192 51101 1 . HIS 193 193 51101 1 . ALA 194 194 51101 1 . VAL 195 195 51101 1 . SER 196 196 51101 1 . ASP 197 197 51101 1 . HIS 198 198 51101 1 . GLU 199 199 51101 1 . ALA 200 200 51101 1 . THR 201 201 51101 1 . LEU 202 202 51101 1 . ARG 203 203 51101 1 . CYS 204 204 51101 1 . TRP 205 205 51101 1 . ALA 206 206 51101 1 . LEU 207 207 51101 1 . SER 208 208 51101 1 . PHE 209 209 51101 1 . TYR 210 210 51101 1 . PRO 211 211 51101 1 . ALA 212 212 51101 1 . GLU 213 213 51101 1 . ILE 214 214 51101 1 . THR 215 215 51101 1 . LEU 216 216 51101 1 . THR 217 217 51101 1 . TRP 218 218 51101 1 . GLN 219 219 51101 1 . ARG 220 220 51101 1 . ASP 221 221 51101 1 . GLY 222 222 51101 1 . GLU 223 223 51101 1 . ASP 224 224 51101 1 . GLN 225 225 51101 1 . THR 226 226 51101 1 . GLN 227 227 51101 1 . ASP 228 228 51101 1 . THR 229 229 51101 1 . GLU 230 230 51101 1 . LEU 231 231 51101 1 . VAL 232 232 51101 1 . GLU 233 233 51101 1 . THR 234 234 51101 1 . ARG 235 235 51101 1 . PRO 236 236 51101 1 . ALA 237 237 51101 1 . GLY 238 238 51101 1 . ASP 239 239 51101 1 . GLY 240 240 51101 1 . THR 241 241 51101 1 . PHE 242 242 51101 1 . GLN 243 243 51101 1 . LYS 244 244 51101 1 . TRP 245 245 51101 1 . ALA 246 246 51101 1 . ALA 247 247 51101 1 . VAL 248 248 51101 1 . VAL 249 249 51101 1 . VAL 250 250 51101 1 . PRO 251 251 51101 1 . SER 252 252 51101 1 . GLY 253 253 51101 1 . GLN 254 254 51101 1 . GLU 255 255 51101 1 . GLN 256 256 51101 1 . ARG 257 257 51101 1 . TYR 258 258 51101 1 . THR 259 259 51101 1 . CYS 260 260 51101 1 . HIS 261 261 51101 1 . VAL 262 262 51101 1 . GLN 263 263 51101 1 . HIS 264 264 51101 1 . GLU 265 265 51101 1 . GLY 266 266 51101 1 . LEU 267 267 51101 1 . PRO 268 268 51101 1 . LYS 269 269 51101 1 . PRO 270 270 51101 1 . LEU 271 271 51101 1 . THR 272 272 51101 1 . LEU 273 273 51101 1 . ARG 274 274 51101 1 . TRP 275 275 51101 1 . GLU 276 276 51101 1 . PRO 277 277 51101 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51101 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; MIQRTPKIQVYSRHPAENGK SNFLNCYVSGFHPSDIEVDL LKNGERIEKVEHSDLSFSKD WSFYLLYYTEFTPTEKDEYA CRVNHVTLSQPKIVKWDRDM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 51101 2 2 1 ILE . 51101 2 3 2 GLN . 51101 2 4 3 ARG . 51101 2 5 4 THR . 51101 2 6 5 PRO . 51101 2 7 6 LYS . 51101 2 8 7 ILE . 51101 2 9 8 GLN . 51101 2 10 9 VAL . 51101 2 11 10 TYR . 51101 2 12 11 SER . 51101 2 13 12 ARG . 51101 2 14 13 HIS . 51101 2 15 14 PRO . 51101 2 16 15 ALA . 51101 2 17 16 GLU . 51101 2 18 17 ASN . 51101 2 19 18 GLY . 51101 2 20 19 LYS . 51101 2 21 20 SER . 51101 2 22 21 ASN . 51101 2 23 22 PHE . 51101 2 24 23 LEU . 51101 2 25 24 ASN . 51101 2 26 25 CYS . 51101 2 27 26 TYR . 51101 2 28 27 VAL . 51101 2 29 28 SER . 51101 2 30 29 GLY . 51101 2 31 30 PHE . 51101 2 32 31 HIS . 51101 2 33 32 PRO . 51101 2 34 33 SER . 51101 2 35 34 ASP . 51101 2 36 35 ILE . 51101 2 37 36 GLU . 51101 2 38 37 VAL . 51101 2 39 38 ASP . 51101 2 40 39 LEU . 51101 2 41 40 LEU . 51101 2 42 41 LYS . 51101 2 43 42 ASN . 51101 2 44 43 GLY . 51101 2 45 44 GLU . 51101 2 46 45 ARG . 51101 2 47 46 ILE . 51101 2 48 47 GLU . 51101 2 49 48 LYS . 51101 2 50 49 VAL . 51101 2 51 50 GLU . 51101 2 52 51 HIS . 51101 2 53 52 SER . 51101 2 54 53 ASP . 51101 2 55 54 LEU . 51101 2 56 55 SER . 51101 2 57 56 PHE . 51101 2 58 57 SER . 51101 2 59 58 LYS . 51101 2 60 59 ASP . 51101 2 61 60 TRP . 51101 2 62 61 SER . 51101 2 63 62 PHE . 51101 2 64 63 TYR . 51101 2 65 64 LEU . 51101 2 66 65 LEU . 51101 2 67 66 TYR . 51101 2 68 67 TYR . 51101 2 69 68 THR . 51101 2 70 69 GLU . 51101 2 71 70 PHE . 51101 2 72 71 THR . 51101 2 73 72 PRO . 51101 2 74 73 THR . 51101 2 75 74 GLU . 51101 2 76 75 LYS . 51101 2 77 76 ASP . 51101 2 78 77 GLU . 51101 2 79 78 TYR . 51101 2 80 79 ALA . 51101 2 81 80 CYS . 51101 2 82 81 ARG . 51101 2 83 82 VAL . 51101 2 84 83 ASN . 51101 2 85 84 HIS . 51101 2 86 85 VAL . 51101 2 87 86 THR . 51101 2 88 87 LEU . 51101 2 89 88 SER . 51101 2 90 89 GLN . 51101 2 91 90 PRO . 51101 2 92 91 LYS . 51101 2 93 92 ILE . 51101 2 94 93 VAL . 51101 2 95 94 LYS . 51101 2 96 95 TRP . 51101 2 97 96 ASP . 51101 2 98 97 ARG . 51101 2 99 98 ASP . 51101 2 100 99 MET . 51101 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51101 2 . ILE 2 2 51101 2 . GLN 3 3 51101 2 . ARG 4 4 51101 2 . THR 5 5 51101 2 . PRO 6 6 51101 2 . LYS 7 7 51101 2 . ILE 8 8 51101 2 . GLN 9 9 51101 2 . VAL 10 10 51101 2 . TYR 11 11 51101 2 . SER 12 12 51101 2 . ARG 13 13 51101 2 . HIS 14 14 51101 2 . PRO 15 15 51101 2 . ALA 16 16 51101 2 . GLU 17 17 51101 2 . ASN 18 18 51101 2 . GLY 19 19 51101 2 . LYS 20 20 51101 2 . SER 21 21 51101 2 . ASN 22 22 51101 2 . PHE 23 23 51101 2 . LEU 24 24 51101 2 . ASN 25 25 51101 2 . CYS 26 26 51101 2 . TYR 27 27 51101 2 . VAL 28 28 51101 2 . SER 29 29 51101 2 . GLY 30 30 51101 2 . PHE 31 31 51101 2 . HIS 32 32 51101 2 . PRO 33 33 51101 2 . SER 34 34 51101 2 . ASP 35 35 51101 2 . ILE 36 36 51101 2 . GLU 37 37 51101 2 . VAL 38 38 51101 2 . ASP 39 39 51101 2 . LEU 40 40 51101 2 . LEU 41 41 51101 2 . LYS 42 42 51101 2 . ASN 43 43 51101 2 . GLY 44 44 51101 2 . GLU 45 45 51101 2 . ARG 46 46 51101 2 . ILE 47 47 51101 2 . GLU 48 48 51101 2 . LYS 49 49 51101 2 . VAL 50 50 51101 2 . GLU 51 51 51101 2 . HIS 52 52 51101 2 . SER 53 53 51101 2 . ASP 54 54 51101 2 . LEU 55 55 51101 2 . SER 56 56 51101 2 . PHE 57 57 51101 2 . SER 58 58 51101 2 . LYS 59 59 51101 2 . ASP 60 60 51101 2 . TRP 61 61 51101 2 . SER 62 62 51101 2 . PHE 63 63 51101 2 . TYR 64 64 51101 2 . LEU 65 65 51101 2 . LEU 66 66 51101 2 . TYR 67 67 51101 2 . TYR 68 68 51101 2 . THR 69 69 51101 2 . GLU 70 70 51101 2 . PHE 71 71 51101 2 . THR 72 72 51101 2 . PRO 73 73 51101 2 . THR 74 74 51101 2 . GLU 75 75 51101 2 . LYS 76 76 51101 2 . ASP 77 77 51101 2 . GLU 78 78 51101 2 . TYR 79 79 51101 2 . ALA 80 80 51101 2 . CYS 81 81 51101 2 . ARG 82 82 51101 2 . VAL 83 83 51101 2 . ASN 84 84 51101 2 . HIS 85 85 51101 2 . VAL 86 86 51101 2 . THR 87 87 51101 2 . LEU 88 88 51101 2 . SER 89 89 51101 2 . GLN 90 90 51101 2 . PRO 91 91 51101 2 . LYS 92 92 51101 2 . ILE 93 93 51101 2 . VAL 94 94 51101 2 . LYS 95 95 51101 2 . TRP 96 96 51101 2 . ASP 97 97 51101 2 . ARG 98 98 51101 2 . ASP 99 99 51101 2 . MET 100 100 51101 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 51101 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _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 ; ELAGIGILTV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLU . 51101 3 2 . LEU . 51101 3 3 . ALA . 51101 3 4 . GLY . 51101 3 5 . ILE . 51101 3 6 . GLY . 51101 3 7 . ILE . 51101 3 8 . LEU . 51101 3 9 . THR . 51101 3 10 . VAL . 51101 3 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 . GLU 1 1 51101 3 . LEU 2 2 51101 3 . ALA 3 3 51101 3 . GLY 4 4 51101 3 . ILE 5 5 51101 3 . GLY 6 6 51101 3 . ILE 7 7 51101 3 . LEU 8 8 51101 3 . THR 9 9 51101 3 . VAL 10 10 51101 3 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 51101 _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 . . . . . . . . . . . . . 51101 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51101 1 3 3 $entity_3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51101 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 51101 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET22B+ . . . 51101 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET22B+ . . . 51101 1 3 3 $entity_3 . 'obtained from a vendor' . . . . . . . . . plasmid . . . . . . 51101 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51101 _Sample.ID 1 _Sample.Name 'Heavy Chain Labled' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; The buffer for the system is 20 mM sodium phosphate pH 7.5 with 150 mM sodium chloride. Additionally, the sample was prepared with 1X Roche protease inhibitor, 1.6 mM sodium azide, and 5mM EDTA. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HLA-A*02:01 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 500 . . uM . . . . 51101 1 2 'Human Beta-2 Microglobulin' 'natural abundance' . . 2 $entity_2 . . 500 . . uM . . . . 51101 1 3 MART-1 'natural abundance' . . 3 $entity_3 . . 500 . . uM . . . . 51101 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51101 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51101 1 6 'sodium azide' 'natural abundance' . . . . . . 1.6 . . mM . . . . 51101 1 7 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 51101 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51101 _Sample.ID 2 _Sample.Name 'Light chain Labeled' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human Beta-2 Microglobulin' '[U-13C; U-15N; U-2H]' . . 2 $entity_2 . . 600 . . uM . . . . 51101 2 2 HLA-A*02:01 'natural abundance' . . 1 $entity_1 . . 600 . . uM . . . . 51101 2 3 MART-1 'natural abundance' . . 3 $entity_3 . . 600 . . uM . . . . 51101 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51101 2 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51101 2 6 'sodium azide' 'natural abundance' . . . . . . 1.6 . . mM . . . . 51101 2 7 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 51101 2 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 51101 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard condition' _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' 150 . mM 51101 1 pH 7.2 . pH 51101 1 pressure 1 . atm 51101 1 temperature 298 . K 51101 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51101 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51101 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51101 _Software.ID 2 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51101 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51101 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51101 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51101 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'UCSC - 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 51101 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51101 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51101 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51101 1 4 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51101 1 5 '2D 1H-15N TROSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51101 1 6 '3D HNCO' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51101 1 7 '3D HNCA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51101 1 8 '3D HNCACB' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51101 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51101 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Standard referencing' _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 carbon' . . . . ppm 0 internal direct 1 . . . . . 51101 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51101 1 N 15 water nitrogen . . . . ppm 0 internal direct 1 . . . . . 51101 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 51101 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name HLA-A*02:01 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51101 1 2 '3D HNCO' . . . 51101 1 3 '3D HNCA' . . . 51101 1 4 '3D HNCACB' . . . 51101 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 . . 51101 1 2 $software_2 . . 51101 1 3 $software_3 . . 51101 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 SER C C 13 173.758 . . 1 . . . . . 2 S C . 51101 1 2 . 1 . 1 4 4 HIS H H 1 8.341 . . 1 . . . . . 3 H HN . 51101 1 3 . 1 . 1 4 4 HIS C C 13 174.432 . . 1 . . . . . 3 H C . 51101 1 4 . 1 . 1 4 4 HIS CA C 13 54.481 . . 1 . . . . . 3 H CA . 51101 1 5 . 1 . 1 4 4 HIS CB C 13 34.024 . . 1 . . . . . 3 H CB . 51101 1 6 . 1 . 1 4 4 HIS N N 15 115.733 . . 1 . . . . . 3 H N . 51101 1 7 . 1 . 1 5 5 SER H H 1 9.296 . . 1 . . . . . 4 S HN . 51101 1 8 . 1 . 1 5 5 SER C C 13 173.554 . . 1 . . . . . 4 S C . 51101 1 9 . 1 . 1 5 5 SER CA C 13 56.902 . . 1 . . . . . 4 S CA . 51101 1 10 . 1 . 1 5 5 SER CB C 13 67.136 . . 1 . . . . . 4 S CB . 51101 1 11 . 1 . 1 5 5 SER N N 15 115.432 . . 1 . . . . . 4 S N . 51101 1 12 . 1 . 1 6 6 MET H H 1 9.169 . . 1 . . . . . 5 M HN . 51101 1 13 . 1 . 1 6 6 MET C C 13 175.995 . . 1 . . . . . 5 M C . 51101 1 14 . 1 . 1 6 6 MET CA C 13 54.744 . . 1 . . . . . 5 M CA . 51101 1 15 . 1 . 1 6 6 MET CB C 13 37.809 . . 1 . . . . . 5 M CB . 51101 1 16 . 1 . 1 6 6 MET N N 15 123.923 . . 1 . . . . . 5 M N . 51101 1 17 . 1 . 1 7 7 ARG H H 1 8.946 . . 1 . . . . . 6 R HN . 51101 1 18 . 1 . 1 7 7 ARG C C 13 174.095 . . 1 . . . . . 6 R C . 51101 1 19 . 1 . 1 7 7 ARG CA C 13 53.963 . . 1 . . . . . 6 R CA . 51101 1 20 . 1 . 1 7 7 ARG CB C 13 35.706 . . 1 . . . . . 6 R CB . 51101 1 21 . 1 . 1 7 7 ARG N N 15 124.966 . . 1 . . . . . 6 R N . 51101 1 22 . 1 . 1 8 8 TYR H H 1 8.766 . . 1 . . . . . 7 Y HN . 51101 1 23 . 1 . 1 8 8 TYR C C 13 174.111 . . 1 . . . . . 7 Y C . 51101 1 24 . 1 . 1 8 8 TYR CA C 13 57.040 . . 1 . . . . . 7 Y CA . 51101 1 25 . 1 . 1 8 8 TYR CB C 13 42.095 . . 1 . . . . . 7 Y CB . 51101 1 26 . 1 . 1 8 8 TYR N N 15 119.721 . . 1 . . . . . 7 Y N . 51101 1 27 . 1 . 1 9 9 PHE H H 1 8.448 . . 1 . . . . . 8 F HN . 51101 1 28 . 1 . 1 9 9 PHE CA C 13 55.899 . . 1 . . . . . 8 F CA . 51101 1 29 . 1 . 1 9 9 PHE CB C 13 39.724 . . 1 . . . . . 8 F CB . 51101 1 30 . 1 . 1 9 9 PHE N N 15 118.078 . . 1 . . . . . 8 F N . 51101 1 31 . 1 . 1 10 10 PHE C C 13 175.871 . . 1 . . . . . 9 F C . 51101 1 32 . 1 . 1 11 11 THR H H 1 9.009 . . 1 . . . . . 10 T HN . 51101 1 33 . 1 . 1 11 11 THR CA C 13 62.682 . . 1 . . . . . 10 T CA . 51101 1 34 . 1 . 1 11 11 THR CB C 13 70.657 . . 1 . . . . . 10 T CB . 51101 1 35 . 1 . 1 11 11 THR N N 15 120.506 . . 1 . . . . . 10 T N . 51101 1 36 . 1 . 1 13 13 VAL C C 13 177.301 . . 1 . . . . . 12 V C . 51101 1 37 . 1 . 1 14 14 SER H H 1 9.278 . . 1 . . . . . 13 S HN . 51101 1 38 . 1 . 1 14 14 SER C C 13 174.359 . . 1 . . . . . 13 S C . 51101 1 39 . 1 . 1 14 14 SER CA C 13 57.198 . . 1 . . . . . 13 S CA . 51101 1 40 . 1 . 1 14 14 SER CB C 13 64.436 . . 1 . . . . . 13 S CB . 51101 1 41 . 1 . 1 14 14 SER N N 15 121.545 . . 1 . . . . . 13 S N . 51101 1 42 . 1 . 1 15 15 ARG H H 1 9.417 . . 1 . . . . . 14 R HN . 51101 1 43 . 1 . 1 15 15 ARG CA C 13 52.712 . . 1 . . . . . 14 R CA . 51101 1 44 . 1 . 1 15 15 ARG CB C 13 30.332 . . 1 . . . . . 14 R CB . 51101 1 45 . 1 . 1 15 15 ARG N N 15 121.364 . . 1 . . . . . 14 R N . 51101 1 46 . 1 . 1 17 17 GLY C C 13 175.195 . . 1 . . . . . 16 G C . 51101 1 47 . 1 . 1 18 18 ARG H H 1 8.264 . . 1 . . . . . 17 R HN . 51101 1 48 . 1 . 1 18 18 ARG CA C 13 54.920 . . 1 . . . . . 17 R CA . 51101 1 49 . 1 . 1 18 18 ARG CB C 13 30.402 . . 1 . . . . . 17 R CB . 51101 1 50 . 1 . 1 18 18 ARG N N 15 120.130 . . 1 . . . . . 17 R N . 51101 1 51 . 1 . 1 19 19 GLY C C 13 174.410 . . 1 . . . . . 18 G C . 51101 1 52 . 1 . 1 20 20 GLU H H 1 8.250 . . 1 . . . . . 19 E HN . 51101 1 53 . 1 . 1 20 20 GLU CA C 13 54.149 . . 1 . . . . . 19 E CA . 51101 1 54 . 1 . 1 20 20 GLU CB C 13 28.671 . . 1 . . . . . 19 E CB . 51101 1 55 . 1 . 1 20 20 GLU N N 15 121.748 . . 1 . . . . . 19 E N . 51101 1 56 . 1 . 1 21 21 PRO C C 13 177.088 . . 1 . . . . . 20 P C . 51101 1 57 . 1 . 1 22 22 ARG H H 1 8.524 . . 1 . . . . . 21 R HN . 51101 1 58 . 1 . 1 22 22 ARG C C 13 175.960 . . 1 . . . . . 21 R C . 51101 1 59 . 1 . 1 22 22 ARG CA C 13 55.244 . . 1 . . . . . 21 R CA . 51101 1 60 . 1 . 1 22 22 ARG CB C 13 31.232 . . 1 . . . . . 21 R CB . 51101 1 61 . 1 . 1 22 22 ARG N N 15 125.119 . . 1 . . . . . 21 R N . 51101 1 62 . 1 . 1 23 23 PHE H H 1 9.188 . . 1 . . . . . 22 F HN . 51101 1 63 . 1 . 1 23 23 PHE C C 13 173.542 . . 1 . . . . . 22 F C . 51101 1 64 . 1 . 1 23 23 PHE CA C 13 56.483 . . 1 . . . . . 22 F CA . 51101 1 65 . 1 . 1 23 23 PHE N N 15 130.424 . . 1 . . . . . 22 F N . 51101 1 66 . 1 . 1 24 24 ILE H H 1 8.689 . . 1 . . . . . 23 I HN . 51101 1 67 . 1 . 1 24 24 ILE C C 13 174.815 . . 1 . . . . . 23 I C . 51101 1 68 . 1 . 1 24 24 ILE CA C 13 58.997 . . 1 . . . . . 23 I CA . 51101 1 69 . 1 . 1 24 24 ILE CB C 13 41.384 . . 1 . . . . . 23 I CB . 51101 1 70 . 1 . 1 24 24 ILE N N 15 127.114 . . 1 . . . . . 23 I N . 51101 1 71 . 1 . 1 25 25 ALA H H 1 9.259 . . 1 . . . . . 24 A HN . 51101 1 72 . 1 . 1 25 25 ALA C C 13 176.737 . . 1 . . . . . 24 A C . 51101 1 73 . 1 . 1 25 25 ALA CA C 13 48.946 . . 1 . . . . . 24 A CA . 51101 1 74 . 1 . 1 25 25 ALA CB C 13 23.638 . . 1 . . . . . 24 A CB . 51101 1 75 . 1 . 1 25 25 ALA N N 15 129.274 . . 1 . . . . . 24 A N . 51101 1 76 . 1 . 1 26 26 VAL H H 1 8.656 . . 1 . . . . . 25 V HN . 51101 1 77 . 1 . 1 26 26 VAL C C 13 174.592 . . 1 . . . . . 25 V C . 51101 1 78 . 1 . 1 26 26 VAL CA C 13 59.585 . . 1 . . . . . 25 V CA . 51101 1 79 . 1 . 1 26 26 VAL CB C 13 35.754 . . 1 . . . . . 25 V CB . 51101 1 80 . 1 . 1 26 26 VAL N N 15 114.942 . . 1 . . . . . 25 V N . 51101 1 81 . 1 . 1 27 27 GLY H H 1 7.265 . . 1 . . . . . 26 G HN . 51101 1 82 . 1 . 1 27 27 GLY C C 13 172.810 . . 1 . . . . . 26 G C . 51101 1 83 . 1 . 1 27 27 GLY CA C 13 44.657 . . 1 . . . . . 26 G CA . 51101 1 84 . 1 . 1 27 27 GLY N N 15 108.456 . . 1 . . . . . 26 G N . 51101 1 85 . 1 . 1 28 28 TYR H H 1 9.630 . . 1 . . . . . 27 Y HN . 51101 1 86 . 1 . 1 28 28 TYR C C 13 177.010 . . 1 . . . . . 27 Y C . 51101 1 87 . 1 . 1 28 28 TYR CA C 13 57.450 . . 1 . . . . . 27 Y CA . 51101 1 88 . 1 . 1 28 28 TYR CB C 13 43.086 . . 1 . . . . . 27 Y CB . 51101 1 89 . 1 . 1 28 28 TYR N N 15 125.557 . . 1 . . . . . 27 Y N . 51101 1 90 . 1 . 1 29 29 VAL H H 1 8.851 . . 1 . . . . . 28 V HN . 51101 1 91 . 1 . 1 29 29 VAL C C 13 176.478 . . 1 . . . . . 28 V C . 51101 1 92 . 1 . 1 29 29 VAL CA C 13 61.854 . . 1 . . . . . 28 V CA . 51101 1 93 . 1 . 1 29 29 VAL CB C 13 32.160 . . 1 . . . . . 28 V CB . 51101 1 94 . 1 . 1 29 29 VAL N N 15 121.875 . . 1 . . . . . 28 V N . 51101 1 95 . 1 . 1 30 30 ASP H H 1 9.642 . . 1 . . . . . 29 D HN . 51101 1 96 . 1 . 1 30 30 ASP CA C 13 55.722 . . 1 . . . . . 29 D CA . 51101 1 97 . 1 . 1 30 30 ASP CB C 13 37.342 . . 1 . . . . . 29 D CB . 51101 1 98 . 1 . 1 30 30 ASP N N 15 126.954 . . 1 . . . . . 29 D N . 51101 1 99 . 1 . 1 31 31 ASP C C 13 176.653 . . 1 . . . . . 30 D C . 51101 1 100 . 1 . 1 32 32 THR H H 1 9.281 . . 1 . . . . . 31 T HN . 51101 1 101 . 1 . 1 32 32 THR C C 13 173.199 . . 1 . . . . . 31 T C . 51101 1 102 . 1 . 1 32 32 THR CA C 13 62.759 . . 1 . . . . . 31 T CA . 51101 1 103 . 1 . 1 32 32 THR CB C 13 70.658 . . 1 . . . . . 31 T CB . 51101 1 104 . 1 . 1 32 32 THR N N 15 120.048 . . 1 . . . . . 31 T N . 51101 1 105 . 1 . 1 34 34 PHE H H 1 8.981 . . 1 . . . . . 33 F HN . 51101 1 106 . 1 . 1 34 34 PHE C C 13 175.199 . . 1 . . . . . 33 F C . 51101 1 107 . 1 . 1 34 34 PHE CA C 13 56.452 . . 1 . . . . . 33 F CA . 51101 1 108 . 1 . 1 34 34 PHE CB C 13 43.457 . . 1 . . . . . 33 F CB . 51101 1 109 . 1 . 1 34 34 PHE N N 15 120.266 . . 1 . . . . . 33 F N . 51101 1 110 . 1 . 1 35 35 VAL H H 1 6.647 . . 1 . . . . . 34 V HN . 51101 1 111 . 1 . 1 35 35 VAL C C 13 176.530 . . 1 . . . . . 34 V C . 51101 1 112 . 1 . 1 35 35 VAL CA C 13 59.428 . . 1 . . . . . 34 V CA . 51101 1 113 . 1 . 1 35 35 VAL CB C 13 37.553 . . 1 . . . . . 34 V CB . 51101 1 114 . 1 . 1 35 35 VAL N N 15 115.525 . . 1 . . . . . 34 V N . 51101 1 115 . 1 . 1 36 36 ARG H H 1 8.728 . . 1 . . . . . 35 R HN . 51101 1 116 . 1 . 1 36 36 ARG C C 13 173.920 . . 1 . . . . . 35 R C . 51101 1 117 . 1 . 1 36 36 ARG CA C 13 54.085 . . 1 . . . . . 35 R CA . 51101 1 118 . 1 . 1 36 36 ARG CB C 13 33.544 . . 1 . . . . . 35 R CB . 51101 1 119 . 1 . 1 36 36 ARG N N 15 118.759 . . 1 . . . . . 35 R N . 51101 1 120 . 1 . 1 37 37 PHE H H 1 9.321 . . 1 . . . . . 36 F HN . 51101 1 121 . 1 . 1 37 37 PHE C C 13 173.546 . . 1 . . . . . 36 F C . 51101 1 122 . 1 . 1 37 37 PHE CA C 13 57.280 . . 1 . . . . . 36 F CA . 51101 1 123 . 1 . 1 37 37 PHE CB C 13 44.370 . . 1 . . . . . 36 F CB . 51101 1 124 . 1 . 1 37 37 PHE N N 15 121.556 . . 1 . . . . . 36 F N . 51101 1 125 . 1 . 1 38 38 ASP H H 1 7.305 . . 1 . . . . . 37 D HN . 51101 1 126 . 1 . 1 38 38 ASP C C 13 177.662 . . 1 . . . . . 37 D C . 51101 1 127 . 1 . 1 38 38 ASP CA C 13 51.541 . . 1 . . . . . 37 D CA . 51101 1 128 . 1 . 1 38 38 ASP CB C 13 42.652 . . 1 . . . . . 37 D CB . 51101 1 129 . 1 . 1 38 38 ASP N N 15 126.349 . . 1 . . . . . 37 D N . 51101 1 130 . 1 . 1 39 39 SER H H 1 9.646 . . 1 . . . . . 38 S HN . 51101 1 131 . 1 . 1 39 39 SER C C 13 175.857 . . 1 . . . . . 38 S C . 51101 1 132 . 1 . 1 39 39 SER CA C 13 61.427 . . 1 . . . . . 38 S CA . 51101 1 133 . 1 . 1 39 39 SER CB C 13 62.375 . . 1 . . . . . 38 S CB . 51101 1 134 . 1 . 1 39 39 SER N N 15 124.953 . . 1 . . . . . 38 S N . 51101 1 135 . 1 . 1 40 40 ASP H H 1 8.600 . . 1 . . . . . 39 D HN . 51101 1 136 . 1 . 1 40 40 ASP C C 13 177.548 . . 1 . . . . . 39 D C . 51101 1 137 . 1 . 1 40 40 ASP CA C 13 54.118 . . 1 . . . . . 39 D CA . 51101 1 138 . 1 . 1 40 40 ASP CB C 13 39.844 . . 1 . . . . . 39 D CB . 51101 1 139 . 1 . 1 40 40 ASP N N 15 122.457 . . 1 . . . . . 39 D N . 51101 1 140 . 1 . 1 41 41 ALA H H 1 7.547 . . 1 . . . . . 40 A HN . 51101 1 141 . 1 . 1 41 41 ALA CA C 13 51.400 . . 1 . . . . . 40 A CA . 51101 1 142 . 1 . 1 41 41 ALA CB C 13 18.425 . . 1 . . . . . 40 A CB . 51101 1 143 . 1 . 1 41 41 ALA N N 15 124.059 . . 1 . . . . . 40 A N . 51101 1 144 . 1 . 1 42 42 ALA C C 13 181.029 . . 1 . . . . . 41 A C . 51101 1 145 . 1 . 1 43 43 SER H H 1 8.101 . . 1 . . . . . 42 S HN . 51101 1 146 . 1 . 1 43 43 SER C C 13 176.221 . . 1 . . . . . 42 S C . 51101 1 147 . 1 . 1 43 43 SER CA C 13 60.301 . . 1 . . . . . 42 S CA . 51101 1 148 . 1 . 1 43 43 SER CB C 13 62.076 . . 1 . . . . . 42 S CB . 51101 1 149 . 1 . 1 43 43 SER N N 15 112.447 . . 1 . . . . . 42 S N . 51101 1 150 . 1 . 1 44 44 GLN H H 1 8.437 . . 1 . . . . . 43 Q HN . 51101 1 151 . 1 . 1 44 44 GLN C C 13 175.907 . . 1 . . . . . 43 Q C . 51101 1 152 . 1 . 1 44 44 GLN CA C 13 55.756 . . 1 . . . . . 43 Q CA . 51101 1 153 . 1 . 1 44 44 GLN CB C 13 25.702 . . 1 . . . . . 43 Q CB . 51101 1 154 . 1 . 1 44 44 GLN N N 15 116.188 . . 1 . . . . . 43 Q N . 51101 1 155 . 1 . 1 45 45 ARG H H 1 7.732 . . 1 . . . . . 44 R HN . 51101 1 156 . 1 . 1 45 45 ARG C C 13 177.174 . . 1 . . . . . 44 R C . 51101 1 157 . 1 . 1 45 45 ARG CA C 13 53.293 . . 1 . . . . . 44 R CA . 51101 1 158 . 1 . 1 45 45 ARG CB C 13 32.818 . . 1 . . . . . 44 R CB . 51101 1 159 . 1 . 1 45 45 ARG N N 15 115.437 . . 1 . . . . . 44 R N . 51101 1 160 . 1 . 1 46 46 MET H H 1 8.271 . . 1 . . . . . 45 M HN . 51101 1 161 . 1 . 1 46 46 MET C C 13 175.434 . . 1 . . . . . 45 M C . 51101 1 162 . 1 . 1 46 46 MET CA C 13 56.473 . . 1 . . . . . 45 M CA . 51101 1 163 . 1 . 1 46 46 MET CB C 13 33.136 . . 1 . . . . . 45 M CB . 51101 1 164 . 1 . 1 46 46 MET N N 15 122.454 . . 1 . . . . . 45 M N . 51101 1 165 . 1 . 1 47 47 GLU H H 1 9.343 . . 1 . . . . . 46 E HN . 51101 1 166 . 1 . 1 47 47 GLU CA C 13 52.836 . . 1 . . . . . 46 E CA . 51101 1 167 . 1 . 1 47 47 GLU CB C 13 31.877 . . 1 . . . . . 46 E CB . 51101 1 168 . 1 . 1 47 47 GLU N N 15 125.335 . . 1 . . . . . 46 E N . 51101 1 169 . 1 . 1 51 51 PRO C C 13 177.143 . . 1 . . . . . 50 P C . 51101 1 170 . 1 . 1 52 52 TRP H H 1 7.297 . . 1 . . . . . 51 W HN . 51101 1 171 . 1 . 1 52 52 TRP CA C 13 58.707 . . 1 . . . . . 51 W CA . 51101 1 172 . 1 . 1 52 52 TRP N N 15 121.887 . . 1 . . . . . 51 W N . 51101 1 173 . 1 . 1 54 54 GLU C C 13 180.110 . . 1 . . . . . 53 E C . 51101 1 174 . 1 . 1 55 55 GLN H H 1 7.254 . . 1 . . . . . 54 Q HN . 51101 1 175 . 1 . 1 55 55 GLN C C 13 177.993 . . 1 . . . . . 54 Q C . 51101 1 176 . 1 . 1 55 55 GLN CA C 13 56.102 . . 1 . . . . . 54 Q CA . 51101 1 177 . 1 . 1 55 55 GLN CB C 13 28.457 . . 1 . . . . . 54 Q CB . 51101 1 178 . 1 . 1 55 55 GLN N N 15 112.732 . . 1 . . . . . 54 Q N . 51101 1 179 . 1 . 1 56 56 GLU H H 1 7.690 . . 1 . . . . . 55 E HN . 51101 1 180 . 1 . 1 56 56 GLU C C 13 178.661 . . 1 . . . . . 55 E C . 51101 1 181 . 1 . 1 56 56 GLU CA C 13 56.348 . . 1 . . . . . 55 E CA . 51101 1 182 . 1 . 1 56 56 GLU CB C 13 28.721 . . 1 . . . . . 55 E CB . 51101 1 183 . 1 . 1 56 56 GLU N N 15 120.597 . . 1 . . . . . 55 E N . 51101 1 184 . 1 . 1 57 57 GLY H H 1 8.722 . . 1 . . . . . 56 G HN . 51101 1 185 . 1 . 1 57 57 GLY CA C 13 44.831 . . 1 . . . . . 56 G CA . 51101 1 186 . 1 . 1 57 57 GLY N N 15 108.574 . . 1 . . . . . 56 G N . 51101 1 187 . 1 . 1 58 58 PRO C C 13 179.260 . . 1 . . . . . 57 P C . 51101 1 188 . 1 . 1 59 59 GLU H H 1 9.170 . . 1 . . . . . 58 E HN . 51101 1 189 . 1 . 1 59 59 GLU C C 13 180.955 . . 1 . . . . . 58 E C . 51101 1 190 . 1 . 1 59 59 GLU CA C 13 59.311 . . 1 . . . . . 58 E CA . 51101 1 191 . 1 . 1 59 59 GLU CB C 13 27.634 . . 1 . . . . . 58 E CB . 51101 1 192 . 1 . 1 59 59 GLU N N 15 117.401 . . 1 . . . . . 58 E N . 51101 1 193 . 1 . 1 60 60 TYR H H 1 7.887 . . 1 . . . . . 59 Y HN . 51101 1 194 . 1 . 1 60 60 TYR C C 13 177.821 . . 1 . . . . . 59 Y C . 51101 1 195 . 1 . 1 60 60 TYR CA C 13 60.778 . . 1 . . . . . 59 Y CA . 51101 1 196 . 1 . 1 60 60 TYR CB C 13 37.934 . . 1 . . . . . 59 Y CB . 51101 1 197 . 1 . 1 60 60 TYR N N 15 124.071 . . 1 . . . . . 59 Y N . 51101 1 198 . 1 . 1 61 61 TRP H H 1 7.143 . . 1 . . . . . 60 W HN . 51101 1 199 . 1 . 1 61 61 TRP C C 13 180.569 . . 1 . . . . . 60 W C . 51101 1 200 . 1 . 1 61 61 TRP CA C 13 59.334 . . 1 . . . . . 60 W CA . 51101 1 201 . 1 . 1 61 61 TRP CB C 13 28.734 . . 1 . . . . . 60 W CB . 51101 1 202 . 1 . 1 61 61 TRP N N 15 121.229 . . 1 . . . . . 60 W N . 51101 1 203 . 1 . 1 62 62 ASP H H 1 9.164 . . 1 . . . . . 61 D HN . 51101 1 204 . 1 . 1 62 62 ASP C C 13 179.933 . . 1 . . . . . 61 D C . 51101 1 205 . 1 . 1 62 62 ASP CA C 13 57.339 . . 1 . . . . . 61 D CA . 51101 1 206 . 1 . 1 62 62 ASP CB C 13 39.945 . . 1 . . . . . 61 D CB . 51101 1 207 . 1 . 1 62 62 ASP N N 15 122.719 . . 1 . . . . . 61 D N . 51101 1 208 . 1 . 1 63 63 GLY H H 1 7.929 . . 1 . . . . . 62 G HN . 51101 1 209 . 1 . 1 63 63 GLY C C 13 176.999 . . 1 . . . . . 62 G C . 51101 1 210 . 1 . 1 63 63 GLY CA C 13 47.096 . . 1 . . . . . 62 G CA . 51101 1 211 . 1 . 1 63 63 GLY N N 15 110.174 . . 1 . . . . . 62 G N . 51101 1 212 . 1 . 1 64 64 GLU H H 1 8.811 . . 1 . . . . . 63 E HN . 51101 1 213 . 1 . 1 64 64 GLU C C 13 179.823 . . 1 . . . . . 63 E C . 51101 1 214 . 1 . 1 64 64 GLU CA C 13 58.248 . . 1 . . . . . 63 E CA . 51101 1 215 . 1 . 1 64 64 GLU CB C 13 28.688 . . 1 . . . . . 63 E CB . 51101 1 216 . 1 . 1 64 64 GLU N N 15 120.937 . . 1 . . . . . 63 E N . 51101 1 217 . 1 . 1 65 65 THR H H 1 8.005 . . 1 . . . . . 64 T HN . 51101 1 218 . 1 . 1 65 65 THR C C 13 175.811 . . 1 . . . . . 64 T C . 51101 1 219 . 1 . 1 65 65 THR CA C 13 67.073 . . 1 . . . . . 64 T CA . 51101 1 220 . 1 . 1 65 65 THR CB C 13 68.449 . . 1 . . . . . 64 T CB . 51101 1 221 . 1 . 1 65 65 THR N N 15 117.226 . . 1 . . . . . 64 T N . 51101 1 222 . 1 . 1 66 66 ARG H H 1 7.900 . . 1 . . . . . 65 R HN . 51101 1 223 . 1 . 1 66 66 ARG C C 13 180.981 . . 1 . . . . . 65 R C . 51101 1 224 . 1 . 1 66 66 ARG CA C 13 59.826 . . 1 . . . . . 65 R CA . 51101 1 225 . 1 . 1 66 66 ARG CB C 13 29.077 . . 1 . . . . . 65 R CB . 51101 1 226 . 1 . 1 66 66 ARG N N 15 122.156 . . 1 . . . . . 65 R N . 51101 1 227 . 1 . 1 67 67 LYS H H 1 8.020 . . 1 . . . . . 66 K HN . 51101 1 228 . 1 . 1 67 67 LYS C C 13 180.496 . . 1 . . . . . 66 K C . 51101 1 229 . 1 . 1 67 67 LYS CA C 13 59.136 . . 1 . . . . . 66 K CA . 51101 1 230 . 1 . 1 67 67 LYS CB C 13 31.650 . . 1 . . . . . 66 K CB . 51101 1 231 . 1 . 1 67 67 LYS N N 15 118.488 . . 1 . . . . . 66 K N . 51101 1 232 . 1 . 1 68 68 VAL H H 1 8.879 . . 1 . . . . . 67 V HN . 51101 1 233 . 1 . 1 68 68 VAL C C 13 178.239 . . 1 . . . . . 67 V C . 51101 1 234 . 1 . 1 68 68 VAL CA C 13 65.470 . . 1 . . . . . 67 V CA . 51101 1 235 . 1 . 1 68 68 VAL CB C 13 28.687 . . 1 . . . . . 67 V CB . 51101 1 236 . 1 . 1 68 68 VAL N N 15 125.412 . . 1 . . . . . 67 V N . 51101 1 237 . 1 . 1 69 69 LYS H H 1 7.779 . . 1 . . . . . 68 K HN . 51101 1 238 . 1 . 1 69 69 LYS C C 13 179.948 . . 1 . . . . . 68 K C . 51101 1 239 . 1 . 1 69 69 LYS CA C 13 59.242 . . 1 . . . . . 68 K CA . 51101 1 240 . 1 . 1 69 69 LYS CB C 13 30.651 . . 1 . . . . . 68 K CB . 51101 1 241 . 1 . 1 69 69 LYS N N 15 124.177 . . 1 . . . . . 68 K N . 51101 1 242 . 1 . 1 70 70 ALA H H 1 7.570 . . 1 . . . . . 69 A HN . 51101 1 243 . 1 . 1 70 70 ALA CA C 13 54.950 . . 1 . . . . . 69 A CA . 51101 1 244 . 1 . 1 70 70 ALA CB C 13 16.731 . . 1 . . . . . 69 A CB . 51101 1 245 . 1 . 1 70 70 ALA N N 15 124.869 . . 1 . . . . . 69 A N . 51101 1 246 . 1 . 1 72 72 SER C C 13 174.831 . . 1 . . . . . 71 S C . 51101 1 247 . 1 . 1 73 73 GLN H H 1 6.855 . . 1 . . . . . 72 Q HN . 51101 1 248 . 1 . 1 73 73 GLN CA C 13 54.211 . . 1 . . . . . 72 Q CA . 51101 1 249 . 1 . 1 73 73 GLN CB C 13 31.171 . . 1 . . . . . 72 Q CB . 51101 1 250 . 1 . 1 73 73 GLN N N 15 119.788 . . 1 . . . . . 72 Q N . 51101 1 251 . 1 . 1 76 76 ARG C C 13 180.097 . . 1 . . . . . 75 R C . 51101 1 252 . 1 . 1 77 77 VAL H H 1 7.556 . . 1 . . . . . 76 V HN . 51101 1 253 . 1 . 1 77 77 VAL C C 13 179.856 . . 1 . . . . . 76 V C . 51101 1 254 . 1 . 1 77 77 VAL CA C 13 65.895 . . 1 . . . . . 76 V CA . 51101 1 255 . 1 . 1 77 77 VAL CB C 13 30.626 . . 1 . . . . . 76 V CB . 51101 1 256 . 1 . 1 77 77 VAL N N 15 122.225 . . 1 . . . . . 76 V N . 51101 1 257 . 1 . 1 78 78 ASP H H 1 8.581 . . 1 . . . . . 77 D HN . 51101 1 258 . 1 . 1 78 78 ASP CA C 13 56.950 . . 1 . . . . . 77 D CA . 51101 1 259 . 1 . 1 78 78 ASP CB C 13 39.938 . . 1 . . . . . 77 D CB . 51101 1 260 . 1 . 1 78 78 ASP N N 15 121.353 . . 1 . . . . . 77 D N . 51101 1 261 . 1 . 1 79 79 LEU C C 13 181.028 . . 1 . . . . . 78 L C . 51101 1 262 . 1 . 1 80 80 GLY H H 1 7.274 . . 1 . . . . . 79 G HN . 51101 1 263 . 1 . 1 80 80 GLY C C 13 176.886 . . 1 . . . . . 79 G C . 51101 1 264 . 1 . 1 80 80 GLY CA C 13 46.656 . . 1 . . . . . 79 G CA . 51101 1 265 . 1 . 1 80 80 GLY N N 15 106.863 . . 1 . . . . . 79 G N . 51101 1 266 . 1 . 1 81 81 THR H H 1 8.295 . . 1 . . . . . 80 T HN . 51101 1 267 . 1 . 1 81 81 THR C C 13 177.900 . . 1 . . . . . 80 T C . 51101 1 268 . 1 . 1 81 81 THR CA C 13 64.633 . . 1 . . . . . 80 T CA . 51101 1 269 . 1 . 1 81 81 THR CB C 13 67.251 . . 1 . . . . . 80 T CB . 51101 1 270 . 1 . 1 81 81 THR N N 15 123.407 . . 1 . . . . . 80 T N . 51101 1 271 . 1 . 1 82 82 LEU H H 1 8.804 . . 1 . . . . . 81 L HN . 51101 1 272 . 1 . 1 82 82 LEU C C 13 178.597 . . 1 . . . . . 81 L C . 51101 1 273 . 1 . 1 82 82 LEU CA C 13 57.977 . . 1 . . . . . 81 L CA . 51101 1 274 . 1 . 1 82 82 LEU CB C 13 39.818 . . 1 . . . . . 81 L CB . 51101 1 275 . 1 . 1 82 82 LEU N N 15 122.767 . . 1 . . . . . 81 L N . 51101 1 276 . 1 . 1 83 83 ARG H H 1 6.926 . . 1 . . . . . 82 R HN . 51101 1 277 . 1 . 1 83 83 ARG C C 13 180.078 . . 1 . . . . . 82 R C . 51101 1 278 . 1 . 1 83 83 ARG CA C 13 58.813 . . 1 . . . . . 82 R CA . 51101 1 279 . 1 . 1 83 83 ARG CB C 13 28.022 . . 1 . . . . . 82 R CB . 51101 1 280 . 1 . 1 83 83 ARG N N 15 117.456 . . 1 . . . . . 82 R N . 51101 1 281 . 1 . 1 84 84 GLY H H 1 7.177 . . 1 . . . . . 83 G HN . 51101 1 282 . 1 . 1 84 84 GLY CA C 13 46.485 . . 1 . . . . . 83 G CA . 51101 1 283 . 1 . 1 84 84 GLY N N 15 104.796 . . 1 . . . . . 83 G N . 51101 1 284 . 1 . 1 85 85 TYR C C 13 179.184 . . 1 . . . . . 84 Y C . 51101 1 285 . 1 . 1 86 86 TYR H H 1 7.741 . . 1 . . . . . 85 Y HN . 51101 1 286 . 1 . 1 86 86 TYR C C 13 175.204 . . 1 . . . . . 85 Y C . 51101 1 287 . 1 . 1 86 86 TYR CA C 13 58.880 . . 1 . . . . . 85 Y CA . 51101 1 288 . 1 . 1 86 86 TYR CB C 13 36.915 . . 1 . . . . . 85 Y CB . 51101 1 289 . 1 . 1 86 86 TYR N N 15 113.688 . . 1 . . . . . 85 Y N . 51101 1 290 . 1 . 1 87 87 ASN H H 1 7.852 . . 1 . . . . . 86 N HN . 51101 1 291 . 1 . 1 87 87 ASN C C 13 175.460 . . 1 . . . . . 86 N C . 51101 1 292 . 1 . 1 87 87 ASN CA C 13 54.079 . . 1 . . . . . 86 N CA . 51101 1 293 . 1 . 1 87 87 ASN CB C 13 36.793 . . 1 . . . . . 86 N CB . 51101 1 294 . 1 . 1 87 87 ASN N N 15 120.073 . . 1 . . . . . 86 N N . 51101 1 295 . 1 . 1 88 88 GLN H H 1 8.630 . . 1 . . . . . 87 Q HN . 51101 1 296 . 1 . 1 88 88 GLN CA C 13 54.172 . . 1 . . . . . 87 Q CA . 51101 1 297 . 1 . 1 88 88 GLN CB C 13 29.234 . . 1 . . . . . 87 Q CB . 51101 1 298 . 1 . 1 88 88 GLN N N 15 117.117 . . 1 . . . . . 87 Q N . 51101 1 299 . 1 . 1 91 91 ALA C C 13 178.573 . . 1 . . . . . 90 A C . 51101 1 300 . 1 . 1 92 92 GLY H H 1 7.401 . . 1 . . . . . 91 G HN . 51101 1 301 . 1 . 1 92 92 GLY C C 13 173.037 . . 1 . . . . . 91 G C . 51101 1 302 . 1 . 1 92 92 GLY CA C 13 43.853 . . 1 . . . . . 91 G CA . 51101 1 303 . 1 . 1 92 92 GLY N N 15 105.612 . . 1 . . . . . 91 G N . 51101 1 304 . 1 . 1 93 93 SER H H 1 7.969 . . 1 . . . . . 92 S HN . 51101 1 305 . 1 . 1 93 93 SER C C 13 175.227 . . 1 . . . . . 92 S C . 51101 1 306 . 1 . 1 93 93 SER CA C 13 56.920 . . 1 . . . . . 92 S CA . 51101 1 307 . 1 . 1 93 93 SER CB C 13 63.329 . . 1 . . . . . 92 S CB . 51101 1 308 . 1 . 1 93 93 SER N N 15 115.015 . . 1 . . . . . 92 S N . 51101 1 309 . 1 . 1 94 94 HIS H H 1 8.419 . . 1 . . . . . 93 H HN . 51101 1 310 . 1 . 1 94 94 HIS C C 13 173.429 . . 1 . . . . . 93 H C . 51101 1 311 . 1 . 1 94 94 HIS CA C 13 54.633 . . 1 . . . . . 93 H CA . 51101 1 312 . 1 . 1 94 94 HIS CB C 13 33.062 . . 1 . . . . . 93 H CB . 51101 1 313 . 1 . 1 94 94 HIS N N 15 124.721 . . 1 . . . . . 93 H N . 51101 1 314 . 1 . 1 95 95 THR H H 1 8.335 . . 1 . . . . . 94 T HN . 51101 1 315 . 1 . 1 95 95 THR CA C 13 61.541 . . 1 . . . . . 94 T CA . 51101 1 316 . 1 . 1 95 95 THR CB C 13 71.166 . . 1 . . . . . 94 T CB . 51101 1 317 . 1 . 1 95 95 THR N N 15 113.850 . . 1 . . . . . 94 T N . 51101 1 318 . 1 . 1 98 98 ARG C C 13 174.398 . . 1 . . . . . 97 R C . 51101 1 319 . 1 . 1 99 99 MET H H 1 9.542 . . 1 . . . . . 98 M HN . 51101 1 320 . 1 . 1 99 99 MET C C 13 175.556 . . 1 . . . . . 98 M C . 51101 1 321 . 1 . 1 99 99 MET CA C 13 53.854 . . 1 . . . . . 98 M CA . 51101 1 322 . 1 . 1 99 99 MET CB C 13 35.574 . . 1 . . . . . 98 M CB . 51101 1 323 . 1 . 1 99 99 MET N N 15 128.765 . . 1 . . . . . 98 M N . 51101 1 324 . 1 . 1 100 100 TYR H H 1 8.526 . . 1 . . . . . 99 Y HN . 51101 1 325 . 1 . 1 100 100 TYR C C 13 174.518 . . 1 . . . . . 99 Y C . 51101 1 326 . 1 . 1 100 100 TYR CA C 13 56.355 . . 1 . . . . . 99 Y CA . 51101 1 327 . 1 . 1 100 100 TYR CB C 13 40.723 . . 1 . . . . . 99 Y CB . 51101 1 328 . 1 . 1 100 100 TYR N N 15 118.828 . . 1 . . . . . 99 Y N . 51101 1 329 . 1 . 1 101 101 GLY H H 1 8.428 . . 1 . . . . . 100 G HN . 51101 1 330 . 1 . 1 101 101 GLY C C 13 170.747 . . 1 . . . . . 100 G C . 51101 1 331 . 1 . 1 101 101 GLY CA C 13 45.707 . . 1 . . . . . 100 G CA . 51101 1 332 . 1 . 1 101 101 GLY N N 15 103.813 . . 1 . . . . . 100 G N . 51101 1 333 . 1 . 1 102 102 CYS H H 1 8.655 . . 1 . . . . . 101 C HN . 51101 1 334 . 1 . 1 102 102 CYS C C 13 171.815 . . 1 . . . . . 101 C C . 51101 1 335 . 1 . 1 102 102 CYS N N 15 110.961 . . 1 . . . . . 101 C N . 51101 1 336 . 1 . 1 103 103 ASP H H 1 8.810 . . 1 . . . . . 102 D HN . 51101 1 337 . 1 . 1 103 103 ASP C C 13 177.100 . . 1 . . . . . 102 D C . 51101 1 338 . 1 . 1 103 103 ASP CA C 13 51.795 . . 1 . . . . . 102 D CA . 51101 1 339 . 1 . 1 103 103 ASP CB C 13 43.038 . . 1 . . . . . 102 D CB . 51101 1 340 . 1 . 1 103 103 ASP N N 15 118.968 . . 1 . . . . . 102 D N . 51101 1 341 . 1 . 1 104 104 VAL H H 1 9.108 . . 1 . . . . . 103 V HN . 51101 1 342 . 1 . 1 104 104 VAL C C 13 176.396 . . 1 . . . . . 103 V C . 51101 1 343 . 1 . 1 104 104 VAL CA C 13 57.977 . . 1 . . . . . 103 V CA . 51101 1 344 . 1 . 1 104 104 VAL CB C 13 34.596 . . 1 . . . . . 103 V CB . 51101 1 345 . 1 . 1 104 104 VAL N N 15 114.033 . . 1 . . . . . 103 V N . 51101 1 346 . 1 . 1 105 105 GLY H H 1 8.273 . . 1 . . . . . 104 G HN . 51101 1 347 . 1 . 1 105 105 GLY CA C 13 43.668 . . 1 . . . . . 104 G CA . 51101 1 348 . 1 . 1 105 105 GLY N N 15 107.076 . . 1 . . . . . 104 G N . 51101 1 349 . 1 . 1 106 106 SER C C 13 175.184 . . 1 . . . . . 105 S C . 51101 1 350 . 1 . 1 107 107 ASP H H 1 7.930 . . 1 . . . . . 106 D HN . 51101 1 351 . 1 . 1 107 107 ASP C C 13 176.455 . . 1 . . . . . 106 D C . 51101 1 352 . 1 . 1 107 107 ASP CA C 13 52.489 . . 1 . . . . . 106 D CA . 51101 1 353 . 1 . 1 107 107 ASP CB C 13 39.085 . . 1 . . . . . 106 D CB . 51101 1 354 . 1 . 1 107 107 ASP N N 15 118.809 . . 1 . . . . . 106 D N . 51101 1 355 . 1 . 1 108 108 TRP H H 1 8.337 . . 1 . . . . . 107 W HN . 51101 1 356 . 1 . 1 108 108 TRP C C 13 175.252 . . 1 . . . . . 107 W C . 51101 1 357 . 1 . 1 108 108 TRP CA C 13 56.861 . . 1 . . . . . 107 W CA . 51101 1 358 . 1 . 1 108 108 TRP CB C 13 25.212 . . 1 . . . . . 107 W CB . 51101 1 359 . 1 . 1 108 108 TRP N N 15 113.621 . . 1 . . . . . 107 W N . 51101 1 360 . 1 . 1 109 109 ARG H H 1 7.711 . . 1 . . . . . 108 R HN . 51101 1 361 . 1 . 1 109 109 ARG C C 13 176.944 . . 1 . . . . . 108 R C . 51101 1 362 . 1 . 1 109 109 ARG CA C 13 54.995 . . 1 . . . . . 108 R CA . 51101 1 363 . 1 . 1 109 109 ARG CB C 13 30.336 . . 1 . . . . . 108 R CB . 51101 1 364 . 1 . 1 109 109 ARG N N 15 117.617 . . 1 . . . . . 108 R N . 51101 1 365 . 1 . 1 110 110 PHE H H 1 8.990 . . 1 . . . . . 109 F HN . 51101 1 366 . 1 . 1 110 110 PHE C C 13 175.018 . . 1 . . . . . 109 F C . 51101 1 367 . 1 . 1 110 110 PHE CA C 13 60.346 . . 1 . . . . . 109 F CA . 51101 1 368 . 1 . 1 110 110 PHE CB C 13 39.236 . . 1 . . . . . 109 F CB . 51101 1 369 . 1 . 1 110 110 PHE N N 15 121.608 . . 1 . . . . . 109 F N . 51101 1 370 . 1 . 1 111 111 LEU H H 1 8.384 . . 1 . . . . . 110 L HN . 51101 1 371 . 1 . 1 111 111 LEU C C 13 176.447 . . 1 . . . . . 110 L C . 51101 1 372 . 1 . 1 111 111 LEU CA C 13 54.796 . . 1 . . . . . 110 L CA . 51101 1 373 . 1 . 1 111 111 LEU CB C 13 44.440 . . 1 . . . . . 110 L CB . 51101 1 374 . 1 . 1 111 111 LEU N N 15 127.774 . . 1 . . . . . 110 L N . 51101 1 375 . 1 . 1 112 112 ARG H H 1 6.396 . . 1 . . . . . 111 R HN . 51101 1 376 . 1 . 1 112 112 ARG C C 13 173.919 . . 1 . . . . . 111 R C . 51101 1 377 . 1 . 1 112 112 ARG CA C 13 55.326 . . 1 . . . . . 111 R CA . 51101 1 378 . 1 . 1 112 112 ARG CB C 13 32.242 . . 1 . . . . . 111 R CB . 51101 1 379 . 1 . 1 112 112 ARG N N 15 113.392 . . 1 . . . . . 111 R N . 51101 1 380 . 1 . 1 113 113 GLY H H 1 8.503 . . 1 . . . . . 112 G HN . 51101 1 381 . 1 . 1 113 113 GLY C C 13 171.273 . . 1 . . . . . 112 G C . 51101 1 382 . 1 . 1 113 113 GLY CA C 13 43.631 . . 1 . . . . . 112 G CA . 51101 1 383 . 1 . 1 113 113 GLY N N 15 107.892 . . 1 . . . . . 112 G N . 51101 1 384 . 1 . 1 114 114 TYR H H 1 8.231 . . 1 . . . . . 113 Y HN . 51101 1 385 . 1 . 1 114 114 TYR C C 13 176.568 . . 1 . . . . . 113 Y C . 51101 1 386 . 1 . 1 114 114 TYR CA C 13 55.717 . . 1 . . . . . 113 Y CA . 51101 1 387 . 1 . 1 114 114 TYR CB C 13 41.198 . . 1 . . . . . 113 Y CB . 51101 1 388 . 1 . 1 114 114 TYR N N 15 116.277 . . 1 . . . . . 113 Y N . 51101 1 389 . 1 . 1 115 115 HIS H H 1 9.693 . . 1 . . . . . 114 H HN . 51101 1 390 . 1 . 1 115 115 HIS C C 13 175.096 . . 1 . . . . . 114 H C . 51101 1 391 . 1 . 1 115 115 HIS CA C 13 57.929 . . 1 . . . . . 114 H CA . 51101 1 392 . 1 . 1 115 115 HIS CB C 13 30.238 . . 1 . . . . . 114 H CB . 51101 1 393 . 1 . 1 115 115 HIS N N 15 118.399 . . 1 . . . . . 114 H N . 51101 1 394 . 1 . 1 116 116 GLN H H 1 9.892 . . 1 . . . . . 115 Q HN . 51101 1 395 . 1 . 1 116 116 GLN C C 13 173.612 . . 1 . . . . . 115 Q C . 51101 1 396 . 1 . 1 116 116 GLN CA C 13 55.180 . . 1 . . . . . 115 Q CA . 51101 1 397 . 1 . 1 116 116 GLN CB C 13 32.813 . . 1 . . . . . 115 Q CB . 51101 1 398 . 1 . 1 116 116 GLN N N 15 128.151 . . 1 . . . . . 115 Q N . 51101 1 399 . 1 . 1 117 117 TYR H H 1 9.205 . . 1 . . . . . 116 Y HN . 51101 1 400 . 1 . 1 117 117 TYR CA C 13 57.087 . . 1 . . . . . 116 Y CA . 51101 1 401 . 1 . 1 117 117 TYR CB C 13 44.985 . . 1 . . . . . 116 Y CB . 51101 1 402 . 1 . 1 117 117 TYR N N 15 127.200 . . 1 . . . . . 116 Y N . 51101 1 403 . 1 . 1 118 118 ALA C C 13 175.407 . . 1 . . . . . 117 A C . 51101 1 404 . 1 . 1 119 119 TYR H H 1 8.079 . . 1 . . . . . 118 Y HN . 51101 1 405 . 1 . 1 119 119 TYR C C 13 175.821 . . 1 . . . . . 118 Y C . 51101 1 406 . 1 . 1 119 119 TYR CA C 13 54.349 . . 1 . . . . . 118 Y CA . 51101 1 407 . 1 . 1 119 119 TYR CB C 13 40.313 . . 1 . . . . . 118 Y CB . 51101 1 408 . 1 . 1 119 119 TYR N N 15 119.552 . . 1 . . . . . 118 Y N . 51101 1 409 . 1 . 1 120 120 ASP H H 1 9.682 . . 1 . . . . . 119 D HN . 51101 1 410 . 1 . 1 120 120 ASP C C 13 175.167 . . 1 . . . . . 119 D C . 51101 1 411 . 1 . 1 120 120 ASP CA C 13 55.002 . . 1 . . . . . 119 D CA . 51101 1 412 . 1 . 1 120 120 ASP CB C 13 38.237 . . 1 . . . . . 119 D CB . 51101 1 413 . 1 . 1 120 120 ASP N N 15 129.515 . . 1 . . . . . 119 D N . 51101 1 414 . 1 . 1 121 121 GLY H H 1 9.228 . . 1 . . . . . 120 G HN . 51101 1 415 . 1 . 1 121 121 GLY C C 13 172.185 . . 1 . . . . . 120 G C . 51101 1 416 . 1 . 1 121 121 GLY N N 15 101.846 . . 1 . . . . . 120 G N . 51101 1 417 . 1 . 1 122 122 LYS H H 1 7.189 . . 1 . . . . . 121 K HN . 51101 1 418 . 1 . 1 122 122 LYS C C 13 175.344 . . 1 . . . . . 121 K C . 51101 1 419 . 1 . 1 122 122 LYS CA C 13 53.357 . . 1 . . . . . 121 K CA . 51101 1 420 . 1 . 1 122 122 LYS CB C 13 34.080 . . 1 . . . . . 121 K CB . 51101 1 421 . 1 . 1 122 122 LYS N N 15 118.326 . . 1 . . . . . 121 K N . 51101 1 422 . 1 . 1 123 123 ASP H H 1 8.408 . . 1 . . . . . 122 D HN . 51101 1 423 . 1 . 1 123 123 ASP C C 13 175.080 . . 1 . . . . . 122 D C . 51101 1 424 . 1 . 1 123 123 ASP CA C 13 56.978 . . 1 . . . . . 122 D CA . 51101 1 425 . 1 . 1 123 123 ASP CB C 13 40.937 . . 1 . . . . . 122 D CB . 51101 1 426 . 1 . 1 123 123 ASP N N 15 121.723 . . 1 . . . . . 122 D N . 51101 1 427 . 1 . 1 124 124 TYR H H 1 8.812 . . 1 . . . . . 123 Y HN . 51101 1 428 . 1 . 1 124 124 TYR C C 13 173.384 . . 1 . . . . . 123 Y C . 51101 1 429 . 1 . 1 124 124 TYR CA C 13 59.910 . . 1 . . . . . 123 Y CA . 51101 1 430 . 1 . 1 124 124 TYR CB C 13 41.012 . . 1 . . . . . 123 Y CB . 51101 1 431 . 1 . 1 124 124 TYR N N 15 123.922 . . 1 . . . . . 123 Y N . 51101 1 432 . 1 . 1 125 125 ILE H H 1 7.915 . . 1 . . . . . 124 I HN . 51101 1 433 . 1 . 1 125 125 ILE C C 13 173.120 . . 1 . . . . . 124 I C . 51101 1 434 . 1 . 1 125 125 ILE CA C 13 59.999 . . 1 . . . . . 124 I CA . 51101 1 435 . 1 . 1 125 125 ILE CB C 13 40.962 . . 1 . . . . . 124 I CB . 51101 1 436 . 1 . 1 125 125 ILE N N 15 115.134 . . 1 . . . . . 124 I N . 51101 1 437 . 1 . 1 126 126 ALA H H 1 8.539 . . 1 . . . . . 125 A HN . 51101 1 438 . 1 . 1 126 126 ALA C C 13 176.855 . . 1 . . . . . 125 A C . 51101 1 439 . 1 . 1 126 126 ALA CA C 13 51.312 . . 1 . . . . . 125 A CA . 51101 1 440 . 1 . 1 126 126 ALA CB C 13 22.586 . . 1 . . . . . 125 A CB . 51101 1 441 . 1 . 1 126 126 ALA N N 15 127.090 . . 1 . . . . . 125 A N . 51101 1 442 . 1 . 1 127 127 LEU H H 1 8.774 . . 1 . . . . . 126 L HN . 51101 1 443 . 1 . 1 127 127 LEU C C 13 178.254 . . 1 . . . . . 126 L C . 51101 1 444 . 1 . 1 127 127 LEU CA C 13 54.251 . . 1 . . . . . 126 L CA . 51101 1 445 . 1 . 1 127 127 LEU CB C 13 43.516 . . 1 . . . . . 126 L CB . 51101 1 446 . 1 . 1 127 127 LEU N N 15 125.041 . . 1 . . . . . 126 L N . 51101 1 447 . 1 . 1 128 128 LYS H H 1 8.650 . . 1 . . . . . 127 K HN . 51101 1 448 . 1 . 1 128 128 LYS C C 13 178.183 . . 1 . . . . . 127 K C . 51101 1 449 . 1 . 1 128 128 LYS CA C 13 57.247 . . 1 . . . . . 127 K CA . 51101 1 450 . 1 . 1 128 128 LYS CB C 13 31.861 . . 1 . . . . . 127 K CB . 51101 1 451 . 1 . 1 128 128 LYS N N 15 126.034 . . 1 . . . . . 127 K N . 51101 1 452 . 1 . 1 129 129 GLU H H 1 8.779 . . 1 . . . . . 128 E HN . 51101 1 453 . 1 . 1 129 129 GLU C C 13 176.989 . . 1 . . . . . 128 E C . 51101 1 454 . 1 . 1 129 129 GLU CA C 13 58.864 . . 1 . . . . . 128 E CA . 51101 1 455 . 1 . 1 129 129 GLU CB C 13 28.721 . . 1 . . . . . 128 E CB . 51101 1 456 . 1 . 1 129 129 GLU N N 15 120.262 . . 1 . . . . . 128 E N . 51101 1 457 . 1 . 1 130 130 ASP H H 1 7.320 . . 1 . . . . . 129 D HN . 51101 1 458 . 1 . 1 130 130 ASP C C 13 176.723 . . 1 . . . . . 129 D C . 51101 1 459 . 1 . 1 130 130 ASP CA C 13 53.645 . . 1 . . . . . 129 D CA . 51101 1 460 . 1 . 1 130 130 ASP CB C 13 39.246 . . 1 . . . . . 129 D CB . 51101 1 461 . 1 . 1 130 130 ASP N N 15 115.387 . . 1 . . . . . 129 D N . 51101 1 462 . 1 . 1 131 131 LEU H H 1 8.466 . . 1 . . . . . 130 L HN . 51101 1 463 . 1 . 1 131 131 LEU C C 13 175.742 . . 1 . . . . . 130 L C . 51101 1 464 . 1 . 1 131 131 LEU CA C 13 55.528 . . 1 . . . . . 130 L CA . 51101 1 465 . 1 . 1 131 131 LEU CB C 13 37.939 . . 1 . . . . . 130 L CB . 51101 1 466 . 1 . 1 131 131 LEU N N 15 114.038 . . 1 . . . . . 130 L N . 51101 1 467 . 1 . 1 132 132 ARG H H 1 8.166 . . 1 . . . . . 131 R HN . 51101 1 468 . 1 . 1 132 132 ARG C C 13 176.076 . . 1 . . . . . 131 R C . 51101 1 469 . 1 . 1 132 132 ARG CA C 13 55.445 . . 1 . . . . . 131 R CA . 51101 1 470 . 1 . 1 132 132 ARG CB C 13 32.689 . . 1 . . . . . 131 R CB . 51101 1 471 . 1 . 1 132 132 ARG N N 15 113.442 . . 1 . . . . . 131 R N . 51101 1 472 . 1 . 1 133 133 SER H H 1 7.781 . . 1 . . . . . 132 S HN . 51101 1 473 . 1 . 1 133 133 SER C C 13 172.431 . . 1 . . . . . 132 S C . 51101 1 474 . 1 . 1 133 133 SER CA C 13 56.708 . . 1 . . . . . 132 S CA . 51101 1 475 . 1 . 1 133 133 SER CB C 13 64.247 . . 1 . . . . . 132 S CB . 51101 1 476 . 1 . 1 133 133 SER N N 15 114.582 . . 1 . . . . . 132 S N . 51101 1 477 . 1 . 1 134 134 TRP H H 1 8.673 . . 1 . . . . . 133 W HN . 51101 1 478 . 1 . 1 134 134 TRP C C 13 177.254 . . 1 . . . . . 133 W C . 51101 1 479 . 1 . 1 134 134 TRP CA C 13 55.681 . . 1 . . . . . 133 W CA . 51101 1 480 . 1 . 1 134 134 TRP CB C 13 32.943 . . 1 . . . . . 133 W CB . 51101 1 481 . 1 . 1 134 134 TRP N N 15 119.674 . . 1 . . . . . 133 W N . 51101 1 482 . 1 . 1 135 135 THR H H 1 9.668 . . 1 . . . . . 134 T HN . 51101 1 483 . 1 . 1 135 135 THR CA C 13 60.650 . . 1 . . . . . 134 T CA . 51101 1 484 . 1 . 1 135 135 THR CB C 13 69.377 . . 1 . . . . . 134 T CB . 51101 1 485 . 1 . 1 135 135 THR N N 15 119.023 . . 1 . . . . . 134 T N . 51101 1 486 . 1 . 1 136 136 ALA C C 13 177.401 . . 1 . . . . . 135 A C . 51101 1 487 . 1 . 1 137 137 ALA H H 1 8.290 . . 1 . . . . . 136 A HN . 51101 1 488 . 1 . 1 137 137 ALA C C 13 177.681 . . 1 . . . . . 136 A C . 51101 1 489 . 1 . 1 137 137 ALA CA C 13 54.408 . . 1 . . . . . 136 A CA . 51101 1 490 . 1 . 1 137 137 ALA CB C 13 19.757 . . 1 . . . . . 136 A CB . 51101 1 491 . 1 . 1 137 137 ALA N N 15 125.343 . . 1 . . . . . 136 A N . 51101 1 492 . 1 . 1 138 138 ASP H H 1 7.274 . . 1 . . . . . 137 D HN . 51101 1 493 . 1 . 1 138 138 ASP CA C 13 52.223 . . 1 . . . . . 137 D CA . 51101 1 494 . 1 . 1 138 138 ASP CB C 13 41.081 . . 1 . . . . . 137 D CB . 51101 1 495 . 1 . 1 138 138 ASP N N 15 115.050 . . 1 . . . . . 137 D N . 51101 1 496 . 1 . 1 139 139 MET C C 13 179.488 . . 1 . . . . . 138 M C . 51101 1 497 . 1 . 1 140 140 ALA H H 1 7.879 . . 1 . . . . . 139 A HN . 51101 1 498 . 1 . 1 140 140 ALA C C 13 179.387 . . 1 . . . . . 139 A C . 51101 1 499 . 1 . 1 140 140 ALA CA C 13 54.633 . . 1 . . . . . 139 A CA . 51101 1 500 . 1 . 1 140 140 ALA CB C 13 16.500 . . 1 . . . . . 139 A CB . 51101 1 501 . 1 . 1 140 140 ALA N N 15 125.592 . . 1 . . . . . 139 A N . 51101 1 502 . 1 . 1 141 141 ALA H H 1 8.079 . . 1 . . . . . 140 A HN . 51101 1 503 . 1 . 1 141 141 ALA C C 13 180.236 . . 1 . . . . . 140 A C . 51101 1 504 . 1 . 1 141 141 ALA CA C 13 53.566 . . 1 . . . . . 140 A CA . 51101 1 505 . 1 . 1 141 141 ALA CB C 13 18.764 . . 1 . . . . . 140 A CB . 51101 1 506 . 1 . 1 141 141 ALA N N 15 118.693 . . 1 . . . . . 140 A N . 51101 1 507 . 1 . 1 142 142 GLN H H 1 7.695 . . 1 . . . . . 141 Q HN . 51101 1 508 . 1 . 1 142 142 GLN C C 13 178.838 . . 1 . . . . . 141 Q C . 51101 1 509 . 1 . 1 142 142 GLN CA C 13 58.144 . . 1 . . . . . 141 Q CA . 51101 1 510 . 1 . 1 142 142 GLN CB C 13 26.632 . . 1 . . . . . 141 Q CB . 51101 1 511 . 1 . 1 142 142 GLN N N 15 117.480 . . 1 . . . . . 141 Q N . 51101 1 512 . 1 . 1 143 143 THR H H 1 7.512 . . 1 . . . . . 142 T HN . 51101 1 513 . 1 . 1 143 143 THR C C 13 177.659 . . 1 . . . . . 142 T C . 51101 1 514 . 1 . 1 143 143 THR CA C 13 66.043 . . 1 . . . . . 142 T CA . 51101 1 515 . 1 . 1 143 143 THR CB C 13 67.467 . . 1 . . . . . 142 T CB . 51101 1 516 . 1 . 1 143 143 THR N N 15 118.528 . . 1 . . . . . 142 T N . 51101 1 517 . 1 . 1 144 144 THR H H 1 6.888 . . 1 . . . . . 143 T HN . 51101 1 518 . 1 . 1 144 144 THR CA C 13 66.214 . . 1 . . . . . 143 T CA . 51101 1 519 . 1 . 1 144 144 THR CB C 13 67.289 . . 1 . . . . . 143 T CB . 51101 1 520 . 1 . 1 144 144 THR N N 15 121.124 . . 1 . . . . . 143 T N . 51101 1 521 . 1 . 1 145 145 LYS C C 13 177.487 . . 1 . . . . . 144 K C . 51101 1 522 . 1 . 1 146 146 HIS H H 1 7.733 . . 1 . . . . . 145 H HN . 51101 1 523 . 1 . 1 146 146 HIS C C 13 179.294 . . 1 . . . . . 145 H C . 51101 1 524 . 1 . 1 146 146 HIS CA C 13 59.207 . . 1 . . . . . 145 H CA . 51101 1 525 . 1 . 1 146 146 HIS CB C 13 29.365 . . 1 . . . . . 145 H CB . 51101 1 526 . 1 . 1 146 146 HIS N N 15 117.245 . . 1 . . . . . 145 H N . 51101 1 527 . 1 . 1 147 147 LYS H H 1 7.642 . . 1 . . . . . 146 K HN . 51101 1 528 . 1 . 1 147 147 LYS C C 13 180.428 . . 1 . . . . . 146 K C . 51101 1 529 . 1 . 1 147 147 LYS CA C 13 59.247 . . 1 . . . . . 146 K CA . 51101 1 530 . 1 . 1 147 147 LYS CB C 13 31.788 . . 1 . . . . . 146 K CB . 51101 1 531 . 1 . 1 147 147 LYS N N 15 120.898 . . 1 . . . . . 146 K N . 51101 1 532 . 1 . 1 149 149 GLU H H 1 9.136 . . 1 . . . . . 148 E HN . 51101 1 533 . 1 . 1 149 149 GLU C C 13 180.382 . . 1 . . . . . 148 E C . 51101 1 534 . 1 . 1 149 149 GLU CA C 13 59.838 . . 1 . . . . . 148 E CA . 51101 1 535 . 1 . 1 149 149 GLU CB C 13 28.550 . . 1 . . . . . 148 E CB . 51101 1 536 . 1 . 1 149 149 GLU N N 15 125.895 . . 1 . . . . . 148 E N . 51101 1 537 . 1 . 1 150 150 ALA H H 1 7.888 . . 1 . . . . . 149 A HN . 51101 1 538 . 1 . 1 150 150 ALA C C 13 178.926 . . 1 . . . . . 149 A C . 51101 1 539 . 1 . 1 150 150 ALA CA C 13 54.258 . . 1 . . . . . 149 A CA . 51101 1 540 . 1 . 1 150 150 ALA CB C 13 16.906 . . 1 . . . . . 149 A CB . 51101 1 541 . 1 . 1 150 150 ALA N N 15 123.529 . . 1 . . . . . 149 A N . 51101 1 542 . 1 . 1 151 151 ALA H H 1 7.165 . . 1 . . . . . 150 A HN . 51101 1 543 . 1 . 1 151 151 ALA C C 13 177.091 . . 1 . . . . . 150 A C . 51101 1 544 . 1 . 1 151 151 ALA CA C 13 50.901 . . 1 . . . . . 150 A CA . 51101 1 545 . 1 . 1 151 151 ALA CB C 13 18.953 . . 1 . . . . . 150 A CB . 51101 1 546 . 1 . 1 151 151 ALA N N 15 115.664 . . 1 . . . . . 150 A N . 51101 1 547 . 1 . 1 152 152 HIS H H 1 7.545 . . 1 . . . . . 151 H HN . 51101 1 548 . 1 . 1 152 152 HIS C C 13 175.924 . . 1 . . . . . 151 H C . 51101 1 549 . 1 . 1 152 152 HIS CA C 13 57.179 . . 1 . . . . . 151 H CA . 51101 1 550 . 1 . 1 152 152 HIS CB C 13 25.991 . . 1 . . . . . 151 H CB . 51101 1 551 . 1 . 1 152 152 HIS N N 15 114.117 . . 1 . . . . . 151 H N . 51101 1 552 . 1 . 1 153 153 VAL H H 1 7.900 . . 1 . . . . . 152 V HN . 51101 1 553 . 1 . 1 153 153 VAL C C 13 178.760 . . 1 . . . . . 152 V C . 51101 1 554 . 1 . 1 153 153 VAL CA C 13 66.152 . . 1 . . . . . 152 V CA . 51101 1 555 . 1 . 1 153 153 VAL CB C 13 32.170 . . 1 . . . . . 152 V CB . 51101 1 556 . 1 . 1 153 153 VAL N N 15 117.125 . . 1 . . . . . 152 V N . 51101 1 557 . 1 . 1 154 154 ALA H H 1 9.754 . . 1 . . . . . 153 A HN . 51101 1 558 . 1 . 1 154 154 ALA C C 13 178.722 . . 1 . . . . . 153 A C . 51101 1 559 . 1 . 1 154 154 ALA CA C 13 55.851 . . 1 . . . . . 153 A CA . 51101 1 560 . 1 . 1 154 154 ALA CB C 13 16.170 . . 1 . . . . . 153 A CB . 51101 1 561 . 1 . 1 154 154 ALA N N 15 121.904 . . 1 . . . . . 153 A N . 51101 1 562 . 1 . 1 155 155 GLU H H 1 8.151 . . 1 . . . . . 154 E HN . 51101 1 563 . 1 . 1 155 155 GLU C C 13 180.632 . . 1 . . . . . 154 E C . 51101 1 564 . 1 . 1 155 155 GLU CB C 13 28.558 . . 1 . . . . . 154 E CB . 51101 1 565 . 1 . 1 155 155 GLU N N 15 116.652 . . 1 . . . . . 154 E N . 51101 1 566 . 1 . 1 156 156 GLN H H 1 7.359 . . 1 . . . . . 155 Q HN . 51101 1 567 . 1 . 1 156 156 GLN C C 13 178.745 . . 1 . . . . . 155 Q C . 51101 1 568 . 1 . 1 156 156 GLN CA C 13 58.052 . . 1 . . . . . 155 Q CA . 51101 1 569 . 1 . 1 156 156 GLN CB C 13 27.918 . . 1 . . . . . 155 Q CB . 51101 1 570 . 1 . 1 156 156 GLN N N 15 119.637 . . 1 . . . . . 155 Q N . 51101 1 571 . 1 . 1 157 157 LEU H H 1 8.600 . . 1 . . . . . 156 L HN . 51101 1 572 . 1 . 1 157 157 LEU C C 13 179.849 . . 1 . . . . . 156 L C . 51101 1 573 . 1 . 1 157 157 LEU CA C 13 56.805 . . 1 . . . . . 156 L CA . 51101 1 574 . 1 . 1 157 157 LEU CB C 13 41.067 . . 1 . . . . . 156 L CB . 51101 1 575 . 1 . 1 157 157 LEU N N 15 118.624 . . 1 . . . . . 156 L N . 51101 1 576 . 1 . 1 158 158 ARG H H 1 9.237 . . 1 . . . . . 157 R HN . 51101 1 577 . 1 . 1 158 158 ARG C C 13 177.643 . . 1 . . . . . 157 R C . 51101 1 578 . 1 . 1 158 158 ARG CA C 13 60.535 . . 1 . . . . . 157 R CA . 51101 1 579 . 1 . 1 158 158 ARG CB C 13 28.522 . . 1 . . . . . 157 R CB . 51101 1 580 . 1 . 1 158 158 ARG N N 15 120.952 . . 1 . . . . . 157 R N . 51101 1 581 . 1 . 1 159 159 ALA H H 1 7.148 . . 1 . . . . . 158 A HN . 51101 1 582 . 1 . 1 159 159 ALA C C 13 182.138 . . 1 . . . . . 158 A C . 51101 1 583 . 1 . 1 159 159 ALA CA C 13 54.412 . . 1 . . . . . 158 A CA . 51101 1 584 . 1 . 1 159 159 ALA CB C 13 16.928 . . 1 . . . . . 158 A CB . 51101 1 585 . 1 . 1 159 159 ALA N N 15 119.142 . . 1 . . . . . 158 A N . 51101 1 586 . 1 . 1 160 160 TYR H H 1 7.482 . . 1 . . . . . 159 Y HN . 51101 1 587 . 1 . 1 160 160 TYR C C 13 176.929 . . 1 . . . . . 159 Y C . 51101 1 588 . 1 . 1 160 160 TYR CA C 13 60.732 . . 1 . . . . . 159 Y CA . 51101 1 589 . 1 . 1 160 160 TYR CB C 13 37.158 . . 1 . . . . . 159 Y CB . 51101 1 590 . 1 . 1 160 160 TYR N N 15 118.727 . . 1 . . . . . 159 Y N . 51101 1 591 . 1 . 1 161 161 LEU H H 1 9.334 . . 1 . . . . . 160 L HN . 51101 1 592 . 1 . 1 161 161 LEU C C 13 176.649 . . 1 . . . . . 160 L C . 51101 1 593 . 1 . 1 161 161 LEU CA C 13 58.043 . . 1 . . . . . 160 L CA . 51101 1 594 . 1 . 1 161 161 LEU CB C 13 42.121 . . 1 . . . . . 160 L CB . 51101 1 595 . 1 . 1 161 161 LEU N N 15 121.359 . . 1 . . . . . 160 L N . 51101 1 596 . 1 . 1 163 163 GLY H H 1 6.957 . . 1 . . . . . 162 G HN . 51101 1 597 . 1 . 1 163 163 GLY C C 13 173.790 . . 1 . . . . . 162 G C . 51101 1 598 . 1 . 1 163 163 GLY CA C 13 45.615 . . 1 . . . . . 162 G CA . 51101 1 599 . 1 . 1 163 163 GLY N N 15 106.911 . . 1 . . . . . 162 G N . 51101 1 600 . 1 . 1 164 164 THR H H 1 7.679 . . 1 . . . . . 163 T HN . 51101 1 601 . 1 . 1 164 164 THR C C 13 175.418 . . 1 . . . . . 163 T C . 51101 1 602 . 1 . 1 164 164 THR CA C 13 66.398 . . 1 . . . . . 163 T CA . 51101 1 603 . 1 . 1 164 164 THR CB C 13 68.985 . . 1 . . . . . 163 T CB . 51101 1 604 . 1 . 1 164 164 THR N N 15 125.319 . . 1 . . . . . 163 T N . 51101 1 605 . 1 . 1 165 165 CYS H H 1 9.343 . . 1 . . . . . 164 C HN . 51101 1 606 . 1 . 1 165 165 CYS C C 13 175.586 . . 1 . . . . . 164 C C . 51101 1 607 . 1 . 1 165 165 CYS N N 15 119.872 . . 1 . . . . . 164 C N . 51101 1 608 . 1 . 1 166 166 VAL H H 1 6.235 . . 1 . . . . . 165 V HN . 51101 1 609 . 1 . 1 166 166 VAL C C 13 178.220 . . 1 . . . . . 165 V C . 51101 1 610 . 1 . 1 166 166 VAL CA C 13 65.223 . . 1 . . . . . 165 V CA . 51101 1 611 . 1 . 1 166 166 VAL CB C 13 31.425 . . 1 . . . . . 165 V CB . 51101 1 612 . 1 . 1 166 166 VAL N N 15 116.744 . . 1 . . . . . 165 V N . 51101 1 613 . 1 . 1 167 167 GLU H H 1 8.051 . . 1 . . . . . 166 E HN . 51101 1 614 . 1 . 1 167 167 GLU C C 13 180.820 . . 1 . . . . . 166 E C . 51101 1 615 . 1 . 1 167 167 GLU CA C 13 58.920 . . 1 . . . . . 166 E CA . 51101 1 616 . 1 . 1 167 167 GLU CB C 13 28.778 . . 1 . . . . . 166 E CB . 51101 1 617 . 1 . 1 167 167 GLU N N 15 119.768 . . 1 . . . . . 166 E N . 51101 1 618 . 1 . 1 168 168 TRP H H 1 8.592 . . 1 . . . . . 167 W HN . 51101 1 619 . 1 . 1 168 168 TRP C C 13 176.232 . . 1 . . . . . 167 W C . 51101 1 620 . 1 . 1 168 168 TRP CA C 13 61.231 . . 1 . . . . . 167 W CA . 51101 1 621 . 1 . 1 168 168 TRP CB C 13 26.772 . . 1 . . . . . 167 W CB . 51101 1 622 . 1 . 1 168 168 TRP N N 15 120.158 . . 1 . . . . . 167 W N . 51101 1 623 . 1 . 1 169 169 LEU H H 1 8.148 . . 1 . . . . . 168 L HN . 51101 1 624 . 1 . 1 169 169 LEU C C 13 178.729 . . 1 . . . . . 168 L C . 51101 1 625 . 1 . 1 169 169 LEU CA C 13 58.531 . . 1 . . . . . 168 L CA . 51101 1 626 . 1 . 1 169 169 LEU CB C 13 40.008 . . 1 . . . . . 168 L CB . 51101 1 627 . 1 . 1 169 169 LEU N N 15 121.459 . . 1 . . . . . 168 L N . 51101 1 628 . 1 . 1 170 170 ARG H H 1 7.802 . . 1 . . . . . 169 R HN . 51101 1 629 . 1 . 1 170 170 ARG C C 13 178.457 . . 1 . . . . . 169 R C . 51101 1 630 . 1 . 1 170 170 ARG CA C 13 59.562 . . 1 . . . . . 169 R CA . 51101 1 631 . 1 . 1 170 170 ARG CB C 13 29.178 . . 1 . . . . . 169 R CB . 51101 1 632 . 1 . 1 170 170 ARG N N 15 115.819 . . 1 . . . . . 169 R N . 51101 1 633 . 1 . 1 171 171 ARG H H 1 7.017 . . 1 . . . . . 170 R HN . 51101 1 634 . 1 . 1 171 171 ARG CA C 13 58.642 . . 1 . . . . . 170 R CA . 51101 1 635 . 1 . 1 171 171 ARG CB C 13 28.687 . . 1 . . . . . 170 R CB . 51101 1 636 . 1 . 1 171 171 ARG N N 15 120.501 . . 1 . . . . . 170 R N . 51101 1 637 . 1 . 1 172 172 TYR C C 13 178.752 . . 1 . . . . . 171 Y C . 51101 1 638 . 1 . 1 173 173 LEU H H 1 8.193 . . 1 . . . . . 172 L HN . 51101 1 639 . 1 . 1 173 173 LEU C C 13 180.014 . . 1 . . . . . 172 L C . 51101 1 640 . 1 . 1 173 173 LEU CA C 13 58.763 . . 1 . . . . . 172 L CA . 51101 1 641 . 1 . 1 173 173 LEU CB C 13 40.930 . . 1 . . . . . 172 L CB . 51101 1 642 . 1 . 1 173 173 LEU N N 15 117.734 . . 1 . . . . . 172 L N . 51101 1 643 . 1 . 1 174 174 GLU H H 1 7.523 . . 1 . . . . . 173 E HN . 51101 1 644 . 1 . 1 174 174 GLU CA C 13 58.216 . . 1 . . . . . 173 E CA . 51101 1 645 . 1 . 1 174 174 GLU CB C 13 28.865 . . 1 . . . . . 173 E CB . 51101 1 646 . 1 . 1 174 174 GLU N N 15 118.345 . . 1 . . . . . 173 E N . 51101 1 647 . 1 . 1 176 176 GLY C C 13 175.550 . . 1 . . . . . 175 G C . 51101 1 648 . 1 . 1 177 177 LYS H H 1 6.781 . . 1 . . . . . 176 K HN . 51101 1 649 . 1 . 1 177 177 LYS C C 13 177.880 . . 1 . . . . . 176 K C . 51101 1 650 . 1 . 1 177 177 LYS CA C 13 60.496 . . 1 . . . . . 176 K CA . 51101 1 651 . 1 . 1 177 177 LYS CB C 13 32.022 . . 1 . . . . . 176 K CB . 51101 1 652 . 1 . 1 177 177 LYS N N 15 122.340 . . 1 . . . . . 176 K N . 51101 1 653 . 1 . 1 178 178 GLU H H 1 8.679 . . 1 . . . . . 177 E HN . 51101 1 654 . 1 . 1 178 178 GLU CA C 13 58.975 . . 1 . . . . . 177 E CA . 51101 1 655 . 1 . 1 178 178 GLU N N 15 117.885 . . 1 . . . . . 177 E N . 51101 1 656 . 1 . 1 182 182 ARG C C 13 175.273 . . 1 . . . . . 181 R C . 51101 1 657 . 1 . 1 183 183 THR H H 1 8.442 . . 1 . . . . . 182 T HN . 51101 1 658 . 1 . 1 183 183 THR C C 13 174.451 . . 1 . . . . . 182 T C . 51101 1 659 . 1 . 1 183 183 THR CA C 13 59.938 . . 1 . . . . . 182 T CA . 51101 1 660 . 1 . 1 183 183 THR CB C 13 70.364 . . 1 . . . . . 182 T CB . 51101 1 661 . 1 . 1 183 183 THR N N 15 115.198 . . 1 . . . . . 182 T N . 51101 1 662 . 1 . 1 184 184 ASP H H 1 9.523 . . 1 . . . . . 183 D HN . 51101 1 663 . 1 . 1 184 184 ASP C C 13 175.385 . . 1 . . . . . 183 D C . 51101 1 664 . 1 . 1 184 184 ASP CA C 13 52.829 . . 1 . . . . . 183 D CA . 51101 1 665 . 1 . 1 184 184 ASP CB C 13 41.472 . . 1 . . . . . 183 D CB . 51101 1 666 . 1 . 1 184 184 ASP N N 15 127.621 . . 1 . . . . . 183 D N . 51101 1 667 . 1 . 1 185 185 ALA H H 1 8.684 . . 1 . . . . . 184 A HN . 51101 1 668 . 1 . 1 185 185 ALA CA C 13 49.709 . . 1 . . . . . 184 A CA . 51101 1 669 . 1 . 1 185 185 ALA CB C 13 16.500 . . 1 . . . . . 184 A CB . 51101 1 670 . 1 . 1 185 185 ALA N N 15 125.879 . . 1 . . . . . 184 A N . 51101 1 671 . 1 . 1 186 186 PRO C C 13 176.919 . . 1 . . . . . 185 P C . 51101 1 672 . 1 . 1 187 187 LYS H H 1 9.255 . . 1 . . . . . 186 K HN . 51101 1 673 . 1 . 1 187 187 LYS C C 13 178.671 . . 1 . . . . . 186 K C . 51101 1 674 . 1 . 1 187 187 LYS CA C 13 55.558 . . 1 . . . . . 186 K CA . 51101 1 675 . 1 . 1 187 187 LYS CB C 13 31.221 . . 1 . . . . . 186 K CB . 51101 1 676 . 1 . 1 187 187 LYS N N 15 125.192 . . 1 . . . . . 186 K N . 51101 1 677 . 1 . 1 188 188 THR H H 1 8.393 . . 1 . . . . . 187 T HN . 51101 1 678 . 1 . 1 188 188 THR C C 13 174.956 . . 1 . . . . . 187 T C . 51101 1 679 . 1 . 1 188 188 THR CA C 13 59.013 . . 1 . . . . . 187 T CA . 51101 1 680 . 1 . 1 188 188 THR CB C 13 71.405 . . 1 . . . . . 187 T CB . 51101 1 681 . 1 . 1 188 188 THR N N 15 117.054 . . 1 . . . . . 187 T N . 51101 1 682 . 1 . 1 189 189 HIS H H 1 8.143 . . 1 . . . . . 188 H HN . 51101 1 683 . 1 . 1 189 189 HIS C C 13 172.310 . . 1 . . . . . 188 H C . 51101 1 684 . 1 . 1 189 189 HIS CA C 13 56.052 . . 1 . . . . . 188 H CA . 51101 1 685 . 1 . 1 189 189 HIS CB C 13 31.796 . . 1 . . . . . 188 H CB . 51101 1 686 . 1 . 1 189 189 HIS N N 15 116.330 . . 1 . . . . . 188 H N . 51101 1 687 . 1 . 1 190 190 MET H H 1 8.779 . . 1 . . . . . 189 M HN . 51101 1 688 . 1 . 1 190 190 MET C C 13 176.502 . . 1 . . . . . 189 M C . 51101 1 689 . 1 . 1 190 190 MET CA C 13 53.720 . . 1 . . . . . 189 M CA . 51101 1 690 . 1 . 1 190 190 MET CB C 13 37.068 . . 1 . . . . . 189 M CB . 51101 1 691 . 1 . 1 190 190 MET N N 15 121.065 . . 1 . . . . . 189 M N . 51101 1 692 . 1 . 1 191 191 THR H H 1 9.578 . . 1 . . . . . 190 T HN . 51101 1 693 . 1 . 1 191 191 THR C C 13 172.486 . . 1 . . . . . 190 T C . 51101 1 694 . 1 . 1 191 191 THR CA C 13 60.248 . . 1 . . . . . 190 T CA . 51101 1 695 . 1 . 1 191 191 THR CB C 13 70.365 . . 1 . . . . . 190 T CB . 51101 1 696 . 1 . 1 191 191 THR N N 15 116.725 . . 1 . . . . . 190 T N . 51101 1 697 . 1 . 1 192 192 HIS H H 1 7.939 . . 1 . . . . . 191 H HN . 51101 1 698 . 1 . 1 192 192 HIS C C 13 174.804 . . 1 . . . . . 191 H C . 51101 1 699 . 1 . 1 192 192 HIS CA C 13 54.933 . . 1 . . . . . 191 H CA . 51101 1 700 . 1 . 1 192 192 HIS CB C 13 33.902 . . 1 . . . . . 191 H CB . 51101 1 701 . 1 . 1 192 192 HIS N N 15 122.149 . . 1 . . . . . 191 H N . 51101 1 702 . 1 . 1 193 193 HIS H H 1 8.163 . . 1 . . . . . 192 H HN . 51101 1 703 . 1 . 1 193 193 HIS CA C 13 53.808 . . 1 . . . . . 192 H CA . 51101 1 704 . 1 . 1 193 193 HIS CB C 13 31.060 . . 1 . . . . . 192 H CB . 51101 1 705 . 1 . 1 193 193 HIS N N 15 123.856 . . 1 . . . . . 192 H N . 51101 1 706 . 1 . 1 194 194 ALA C C 13 178.192 . . 1 . . . . . 193 A C . 51101 1 707 . 1 . 1 195 195 VAL H H 1 8.212 . . 1 . . . . . 194 V HN . 51101 1 708 . 1 . 1 195 195 VAL C C 13 175.899 . . 1 . . . . . 194 V C . 51101 1 709 . 1 . 1 195 195 VAL CA C 13 62.549 . . 1 . . . . . 194 V CA . 51101 1 710 . 1 . 1 195 195 VAL CB C 13 32.278 . . 1 . . . . . 194 V CB . 51101 1 711 . 1 . 1 195 195 VAL N N 15 121.905 . . 1 . . . . . 194 V N . 51101 1 712 . 1 . 1 196 196 SER H H 1 8.180 . . 1 . . . . . 195 S HN . 51101 1 713 . 1 . 1 196 196 SER CA C 13 56.349 . . 1 . . . . . 195 S CA . 51101 1 714 . 1 . 1 196 196 SER CB C 13 64.515 . . 1 . . . . . 195 S CB . 51101 1 715 . 1 . 1 196 196 SER N N 15 116.011 . . 1 . . . . . 195 S N . 51101 1 716 . 1 . 1 197 197 ASP C C 13 177.186 . . 1 . . . . . 196 D C . 51101 1 717 . 1 . 1 198 198 HIS H H 1 8.004 . . 1 . . . . . 197 H HN . 51101 1 718 . 1 . 1 198 198 HIS C C 13 176.422 . . 1 . . . . . 197 H C . 51101 1 719 . 1 . 1 198 198 HIS CA C 13 55.960 . . 1 . . . . . 197 H CA . 51101 1 720 . 1 . 1 198 198 HIS CB C 13 31.638 . . 1 . . . . . 197 H CB . 51101 1 721 . 1 . 1 198 198 HIS N N 15 114.030 . . 1 . . . . . 197 H N . 51101 1 722 . 1 . 1 199 199 GLU H H 1 7.283 . . 1 . . . . . 198 E HN . 51101 1 723 . 1 . 1 199 199 GLU C C 13 174.726 . . 1 . . . . . 198 E C . 51101 1 724 . 1 . 1 199 199 GLU CA C 13 54.935 . . 1 . . . . . 198 E CA . 51101 1 725 . 1 . 1 199 199 GLU CB C 13 33.898 . . 1 . . . . . 198 E CB . 51101 1 726 . 1 . 1 199 199 GLU N N 15 121.034 . . 1 . . . . . 198 E N . 51101 1 727 . 1 . 1 200 200 ALA H H 1 9.001 . . 1 . . . . . 199 A HN . 51101 1 728 . 1 . 1 200 200 ALA C C 13 175.186 . . 1 . . . . . 199 A C . 51101 1 729 . 1 . 1 200 200 ALA CA C 13 50.292 . . 1 . . . . . 199 A CA . 51101 1 730 . 1 . 1 200 200 ALA CB C 13 21.855 . . 1 . . . . . 199 A CB . 51101 1 731 . 1 . 1 200 200 ALA N N 15 124.414 . . 1 . . . . . 199 A N . 51101 1 732 . 1 . 1 201 201 THR H H 1 8.852 . . 1 . . . . . 200 T HN . 51101 1 733 . 1 . 1 201 201 THR C C 13 174.804 . . 1 . . . . . 200 T C . 51101 1 734 . 1 . 1 201 201 THR CA C 13 61.140 . . 1 . . . . . 200 T CA . 51101 1 735 . 1 . 1 201 201 THR CB C 13 69.772 . . 1 . . . . . 200 T CB . 51101 1 736 . 1 . 1 201 201 THR N N 15 117.698 . . 1 . . . . . 200 T N . 51101 1 737 . 1 . 1 202 202 LEU H H 1 8.449 . . 1 . . . . . 201 L HN . 51101 1 738 . 1 . 1 202 202 LEU C C 13 175.702 . . 1 . . . . . 201 L C . 51101 1 739 . 1 . 1 202 202 LEU CA C 13 52.404 . . 1 . . . . . 201 L CA . 51101 1 740 . 1 . 1 202 202 LEU CB C 13 43.163 . . 1 . . . . . 201 L CB . 51101 1 741 . 1 . 1 202 202 LEU N N 15 126.807 . . 1 . . . . . 201 L N . 51101 1 742 . 1 . 1 203 203 ARG H H 1 8.899 . . 1 . . . . . 202 R HN . 51101 1 743 . 1 . 1 203 203 ARG C C 13 173.420 . . 1 . . . . . 202 R C . 51101 1 744 . 1 . 1 203 203 ARG CA C 13 55.081 . . 1 . . . . . 202 R CA . 51101 1 745 . 1 . 1 203 203 ARG CB C 13 31.270 . . 1 . . . . . 202 R CB . 51101 1 746 . 1 . 1 203 203 ARG N N 15 123.520 . . 1 . . . . . 202 R N . 51101 1 747 . 1 . 1 204 204 CYS H H 1 9.621 . . 1 . . . . . 203 C HN . 51101 1 748 . 1 . 1 204 204 CYS C C 13 172.804 . . 1 . . . . . 203 C C . 51101 1 749 . 1 . 1 204 204 CYS N N 15 128.520 . . 1 . . . . . 203 C N . 51101 1 750 . 1 . 1 205 205 TRP H H 1 9.134 . . 1 . . . . . 204 W HN . 51101 1 751 . 1 . 1 205 205 TRP C C 13 175.137 . . 1 . . . . . 204 W C . 51101 1 752 . 1 . 1 205 205 TRP CA C 13 57.126 . . 1 . . . . . 204 W CA . 51101 1 753 . 1 . 1 205 205 TRP CB C 13 31.345 . . 1 . . . . . 204 W CB . 51101 1 754 . 1 . 1 205 205 TRP N N 15 126.146 . . 1 . . . . . 204 W N . 51101 1 755 . 1 . 1 206 206 ALA H H 1 8.874 . . 1 . . . . . 205 A HN . 51101 1 756 . 1 . 1 206 206 ALA C C 13 175.728 . . 1 . . . . . 205 A C . 51101 1 757 . 1 . 1 206 206 ALA CA C 13 50.537 . . 1 . . . . . 205 A CA . 51101 1 758 . 1 . 1 206 206 ALA CB C 13 21.737 . . 1 . . . . . 205 A CB . 51101 1 759 . 1 . 1 206 206 ALA N N 15 120.611 . . 1 . . . . . 205 A N . 51101 1 760 . 1 . 1 207 207 LEU H H 1 9.090 . . 1 . . . . . 206 L HN . 51101 1 761 . 1 . 1 207 207 LEU C C 13 177.291 . . 1 . . . . . 206 L C . 51101 1 762 . 1 . 1 207 207 LEU CA C 13 53.389 . . 1 . . . . . 206 L CA . 51101 1 763 . 1 . 1 207 207 LEU CB C 13 45.662 . . 1 . . . . . 206 L CB . 51101 1 764 . 1 . 1 207 207 LEU N N 15 121.680 . . 1 . . . . . 206 L N . 51101 1 765 . 1 . 1 208 208 SER H H 1 8.378 . . 1 . . . . . 207 S HN . 51101 1 766 . 1 . 1 208 208 SER C C 13 174.365 . . 1 . . . . . 207 S C . 51101 1 767 . 1 . 1 208 208 SER CA C 13 57.724 . . 1 . . . . . 207 S CA . 51101 1 768 . 1 . 1 208 208 SER CB C 13 61.485 . . 1 . . . . . 207 S CB . 51101 1 769 . 1 . 1 208 208 SER N N 15 115.481 . . 1 . . . . . 207 S N . 51101 1 770 . 1 . 1 209 209 PHE H H 1 7.644 . . 1 . . . . . 208 F HN . 51101 1 771 . 1 . 1 209 209 PHE C C 13 175.718 . . 1 . . . . . 208 F C . 51101 1 772 . 1 . 1 209 209 PHE CA C 13 53.455 . . 1 . . . . . 208 F CA . 51101 1 773 . 1 . 1 209 209 PHE CB C 13 41.226 . . 1 . . . . . 208 F CB . 51101 1 774 . 1 . 1 209 209 PHE N N 15 112.408 . . 1 . . . . . 208 F N . 51101 1 775 . 1 . 1 210 210 TYR H H 1 8.874 . . 1 . . . . . 209 Y HN . 51101 1 776 . 1 . 1 210 210 TYR CA C 13 58.366 . . 1 . . . . . 209 Y CA . 51101 1 777 . 1 . 1 210 210 TYR CB C 13 42.326 . . 1 . . . . . 209 Y CB . 51101 1 778 . 1 . 1 210 210 TYR N N 15 120.081 . . 1 . . . . . 209 Y N . 51101 1 779 . 1 . 1 211 211 PRO C C 13 175.575 . . 1 . . . . . 210 P C . 51101 1 780 . 1 . 1 212 212 ALA H H 1 8.038 . . 1 . . . . . 211 A HN . 51101 1 781 . 1 . 1 212 212 ALA C C 13 178.525 . . 1 . . . . . 211 A C . 51101 1 782 . 1 . 1 212 212 ALA CA C 13 54.233 . . 1 . . . . . 211 A CA . 51101 1 783 . 1 . 1 212 212 ALA CB C 13 16.712 . . 1 . . . . . 211 A CB . 51101 1 784 . 1 . 1 212 212 ALA N N 15 119.503 . . 1 . . . . . 211 A N . 51101 1 785 . 1 . 1 213 213 GLU H H 1 7.275 . . 1 . . . . . 212 E HN . 51101 1 786 . 1 . 1 213 213 GLU C C 13 174.223 . . 1 . . . . . 212 E C . 51101 1 787 . 1 . 1 213 213 GLU CA C 13 57.306 . . 1 . . . . . 212 E CA . 51101 1 788 . 1 . 1 213 213 GLU CB C 13 28.352 . . 1 . . . . . 212 E CB . 51101 1 789 . 1 . 1 213 213 GLU N N 15 118.945 . . 1 . . . . . 212 E N . 51101 1 790 . 1 . 1 214 214 ILE H H 1 7.349 . . 1 . . . . . 213 I HN . 51101 1 791 . 1 . 1 214 214 ILE C C 13 173.346 . . 1 . . . . . 213 I C . 51101 1 792 . 1 . 1 214 214 ILE CA C 13 60.318 . . 1 . . . . . 213 I CA . 51101 1 793 . 1 . 1 214 214 ILE CB C 13 39.110 . . 1 . . . . . 213 I CB . 51101 1 794 . 1 . 1 214 214 ILE N N 15 124.675 . . 1 . . . . . 213 I N . 51101 1 795 . 1 . 1 215 215 THR H H 1 8.106 . . 1 . . . . . 214 T HN . 51101 1 796 . 1 . 1 215 215 THR C C 13 173.032 . . 1 . . . . . 214 T C . 51101 1 797 . 1 . 1 215 215 THR CA C 13 61.716 . . 1 . . . . . 214 T CA . 51101 1 798 . 1 . 1 215 215 THR CB C 13 70.545 . . 1 . . . . . 214 T CB . 51101 1 799 . 1 . 1 215 215 THR N N 15 120.102 . . 1 . . . . . 214 T N . 51101 1 800 . 1 . 1 216 216 LEU H H 1 8.627 . . 1 . . . . . 215 L HN . 51101 1 801 . 1 . 1 216 216 LEU C C 13 176.108 . . 1 . . . . . 215 L C . 51101 1 802 . 1 . 1 216 216 LEU CA C 13 53.506 . . 1 . . . . . 215 L CA . 51101 1 803 . 1 . 1 216 216 LEU CB C 13 44.271 . . 1 . . . . . 215 L CB . 51101 1 804 . 1 . 1 216 216 LEU N N 15 128.668 . . 1 . . . . . 215 L N . 51101 1 805 . 1 . 1 217 217 THR H H 1 8.530 . . 1 . . . . . 216 T HN . 51101 1 806 . 1 . 1 217 217 THR C C 13 173.452 . . 1 . . . . . 216 T C . 51101 1 807 . 1 . 1 217 217 THR CA C 13 59.808 . . 1 . . . . . 216 T CA . 51101 1 808 . 1 . 1 217 217 THR CB C 13 71.963 . . 1 . . . . . 216 T CB . 51101 1 809 . 1 . 1 217 217 THR N N 15 115.181 . . 1 . . . . . 216 T N . 51101 1 810 . 1 . 1 218 218 TRP H H 1 9.047 . . 1 . . . . . 217 W HN . 51101 1 811 . 1 . 1 218 218 TRP C C 13 177.031 . . 1 . . . . . 217 W C . 51101 1 812 . 1 . 1 218 218 TRP CA C 13 56.106 . . 1 . . . . . 217 W CA . 51101 1 813 . 1 . 1 218 218 TRP CB C 13 32.158 . . 1 . . . . . 217 W CB . 51101 1 814 . 1 . 1 218 218 TRP N N 15 121.525 . . 1 . . . . . 217 W N . 51101 1 815 . 1 . 1 219 219 GLN H H 1 9.768 . . 1 . . . . . 218 Q HN . 51101 1 816 . 1 . 1 219 219 GLN C C 13 175.539 . . 1 . . . . . 218 Q C . 51101 1 817 . 1 . 1 219 219 GLN CA C 13 53.918 . . 1 . . . . . 218 Q CA . 51101 1 818 . 1 . 1 219 219 GLN CB C 13 31.827 . . 1 . . . . . 218 Q CB . 51101 1 819 . 1 . 1 219 219 GLN N N 15 119.033 . . 1 . . . . . 218 Q N . 51101 1 820 . 1 . 1 220 220 ARG H H 1 8.603 . . 1 . . . . . 219 R HN . 51101 1 821 . 1 . 1 220 220 ARG C C 13 177.181 . . 1 . . . . . 219 R C . 51101 1 822 . 1 . 1 220 220 ARG CA C 13 54.107 . . 1 . . . . . 219 R CA . 51101 1 823 . 1 . 1 220 220 ARG CB C 13 31.657 . . 1 . . . . . 219 R CB . 51101 1 824 . 1 . 1 220 220 ARG N N 15 120.822 . . 1 . . . . . 219 R N . 51101 1 825 . 1 . 1 221 221 ASP H H 1 9.237 . . 1 . . . . . 220 D HN . 51101 1 826 . 1 . 1 221 221 ASP C C 13 176.654 . . 1 . . . . . 220 D C . 51101 1 827 . 1 . 1 221 221 ASP CA C 13 55.187 . . 1 . . . . . 220 D CA . 51101 1 828 . 1 . 1 221 221 ASP CB C 13 39.334 . . 1 . . . . . 220 D CB . 51101 1 829 . 1 . 1 221 221 ASP N N 15 128.895 . . 1 . . . . . 220 D N . 51101 1 830 . 1 . 1 222 222 GLY H H 1 8.433 . . 1 . . . . . 221 G HN . 51101 1 831 . 1 . 1 222 222 GLY C C 13 174.070 . . 1 . . . . . 221 G C . 51101 1 832 . 1 . 1 222 222 GLY CA C 13 45.175 . . 1 . . . . . 221 G CA . 51101 1 833 . 1 . 1 222 222 GLY N N 15 103.135 . . 1 . . . . . 221 G N . 51101 1 834 . 1 . 1 223 223 GLU H H 1 7.753 . . 1 . . . . . 222 E HN . 51101 1 835 . 1 . 1 223 223 GLU CA C 13 54.042 . . 1 . . . . . 222 E CA . 51101 1 836 . 1 . 1 223 223 GLU CB C 13 30.705 . . 1 . . . . . 222 E CB . 51101 1 837 . 1 . 1 223 223 GLU N N 15 119.642 . . 1 . . . . . 222 E N . 51101 1 838 . 1 . 1 224 224 ASP C C 13 177.060 . . 1 . . . . . 223 D C . 51101 1 839 . 1 . 1 225 225 GLN H H 1 8.710 . . 1 . . . . . 224 Q HN . 51101 1 840 . 1 . 1 225 225 GLN CA C 13 53.627 . . 1 . . . . . 224 Q CA . 51101 1 841 . 1 . 1 225 225 GLN CB C 13 28.865 . . 1 . . . . . 224 Q CB . 51101 1 842 . 1 . 1 225 225 GLN N N 15 123.525 . . 1 . . . . . 224 Q N . 51101 1 843 . 1 . 1 227 227 GLN C C 13 176.429 . . 1 . . . . . 226 Q C . 51101 1 844 . 1 . 1 228 228 ASP H H 1 8.194 . . 1 . . . . . 227 D HN . 51101 1 845 . 1 . 1 228 228 ASP C C 13 175.793 . . 1 . . . . . 227 D C . 51101 1 846 . 1 . 1 228 228 ASP CA C 13 54.731 . . 1 . . . . . 227 D CA . 51101 1 847 . 1 . 1 228 228 ASP CB C 13 40.550 . . 1 . . . . . 227 D CB . 51101 1 848 . 1 . 1 228 228 ASP N N 15 118.027 . . 1 . . . . . 227 D N . 51101 1 849 . 1 . 1 229 229 THR H H 1 7.459 . . 1 . . . . . 228 T HN . 51101 1 850 . 1 . 1 229 229 THR C C 13 174.591 . . 1 . . . . . 228 T C . 51101 1 851 . 1 . 1 229 229 THR CA C 13 61.296 . . 1 . . . . . 228 T CA . 51101 1 852 . 1 . 1 229 229 THR CB C 13 70.802 . . 1 . . . . . 228 T CB . 51101 1 853 . 1 . 1 229 229 THR N N 15 112.755 . . 1 . . . . . 228 T N . 51101 1 854 . 1 . 1 230 230 GLU H H 1 9.183 . . 1 . . . . . 229 E HN . 51101 1 855 . 1 . 1 230 230 GLU C C 13 174.757 . . 1 . . . . . 229 E C . 51101 1 856 . 1 . 1 230 230 GLU CA C 13 55.090 . . 1 . . . . . 229 E CA . 51101 1 857 . 1 . 1 230 230 GLU CB C 13 31.311 . . 1 . . . . . 229 E CB . 51101 1 858 . 1 . 1 230 230 GLU N N 15 126.601 . . 1 . . . . . 229 E N . 51101 1 859 . 1 . 1 231 231 LEU H H 1 8.677 . . 1 . . . . . 230 L HN . 51101 1 860 . 1 . 1 231 231 LEU C C 13 177.315 . . 1 . . . . . 230 L C . 51101 1 861 . 1 . 1 231 231 LEU CA C 13 53.636 . . 1 . . . . . 230 L CA . 51101 1 862 . 1 . 1 231 231 LEU CB C 13 44.361 . . 1 . . . . . 230 L CB . 51101 1 863 . 1 . 1 231 231 LEU N N 15 128.065 . . 1 . . . . . 230 L N . 51101 1 864 . 1 . 1 232 232 VAL H H 1 6.585 . . 1 . . . . . 231 V HN . 51101 1 865 . 1 . 1 232 232 VAL C C 13 176.359 . . 1 . . . . . 231 V C . 51101 1 866 . 1 . 1 232 232 VAL CA C 13 58.834 . . 1 . . . . . 231 V CA . 51101 1 867 . 1 . 1 232 232 VAL CB C 13 31.959 . . 1 . . . . . 231 V CB . 51101 1 868 . 1 . 1 232 232 VAL N N 15 115.964 . . 1 . . . . . 231 V N . 51101 1 869 . 1 . 1 233 233 GLU H H 1 8.169 . . 1 . . . . . 232 E HN . 51101 1 870 . 1 . 1 233 233 GLU C C 13 176.501 . . 1 . . . . . 232 E C . 51101 1 871 . 1 . 1 233 233 GLU CA C 13 56.082 . . 1 . . . . . 232 E CA . 51101 1 872 . 1 . 1 233 233 GLU CB C 13 28.890 . . 1 . . . . . 232 E CB . 51101 1 873 . 1 . 1 233 233 GLU N N 15 123.328 . . 1 . . . . . 232 E N . 51101 1 874 . 1 . 1 234 234 THR H H 1 8.598 . . 1 . . . . . 233 T HN . 51101 1 875 . 1 . 1 234 234 THR C C 13 174.465 . . 1 . . . . . 233 T C . 51101 1 876 . 1 . 1 234 234 THR CA C 13 64.105 . . 1 . . . . . 233 T CA . 51101 1 877 . 1 . 1 234 234 THR CB C 13 68.123 . . 1 . . . . . 233 T CB . 51101 1 878 . 1 . 1 234 234 THR N N 15 122.169 . . 1 . . . . . 233 T N . 51101 1 879 . 1 . 1 235 235 ARG H H 1 8.848 . . 1 . . . . . 234 R HN . 51101 1 880 . 1 . 1 235 235 ARG CA C 13 50.404 . . 1 . . . . . 234 R CA . 51101 1 881 . 1 . 1 235 235 ARG CB C 13 29.902 . . 1 . . . . . 234 R CB . 51101 1 882 . 1 . 1 235 235 ARG N N 15 124.712 . . 1 . . . . . 234 R N . 51101 1 883 . 1 . 1 236 236 PRO C C 13 178.013 . . 1 . . . . . 235 P C . 51101 1 884 . 1 . 1 237 237 ALA H H 1 8.779 . . 1 . . . . . 236 A HN . 51101 1 885 . 1 . 1 237 237 ALA C C 13 178.742 . . 1 . . . . . 236 A C . 51101 1 886 . 1 . 1 237 237 ALA CA C 13 53.249 . . 1 . . . . . 236 A CA . 51101 1 887 . 1 . 1 237 237 ALA CB C 13 19.258 . . 1 . . . . . 236 A CB . 51101 1 888 . 1 . 1 237 237 ALA N N 15 125.457 . . 1 . . . . . 236 A N . 51101 1 889 . 1 . 1 238 238 GLY H H 1 8.558 . . 1 . . . . . 237 G HN . 51101 1 890 . 1 . 1 238 238 GLY C C 13 172.791 . . 1 . . . . . 237 G C . 51101 1 891 . 1 . 1 238 238 GLY CA C 13 43.695 . . 1 . . . . . 237 G CA . 51101 1 892 . 1 . 1 238 238 GLY N N 15 105.829 . . 1 . . . . . 237 G N . 51101 1 893 . 1 . 1 239 239 ASP H H 1 7.283 . . 1 . . . . . 238 D HN . 51101 1 894 . 1 . 1 239 239 ASP C C 13 176.789 . . 1 . . . . . 238 D C . 51101 1 895 . 1 . 1 239 239 ASP CA C 13 51.187 . . 1 . . . . . 238 D CA . 51101 1 896 . 1 . 1 239 239 ASP CB C 13 40.265 . . 1 . . . . . 238 D CB . 51101 1 897 . 1 . 1 239 239 ASP N N 15 117.634 . . 1 . . . . . 238 D N . 51101 1 898 . 1 . 1 240 240 GLY H H 1 8.207 . . 1 . . . . . 239 G HN . 51101 1 899 . 1 . 1 240 240 GLY C C 13 174.119 . . 1 . . . . . 239 G C . 51101 1 900 . 1 . 1 240 240 GLY CA C 13 44.345 . . 1 . . . . . 239 G CA . 51101 1 901 . 1 . 1 240 240 GLY N N 15 109.216 . . 1 . . . . . 239 G N . 51101 1 902 . 1 . 1 241 241 THR H H 1 7.432 . . 1 . . . . . 240 T HN . 51101 1 903 . 1 . 1 241 241 THR C C 13 175.010 . . 1 . . . . . 240 T C . 51101 1 904 . 1 . 1 241 241 THR CA C 13 59.873 . . 1 . . . . . 240 T CA . 51101 1 905 . 1 . 1 241 241 THR CB C 13 71.320 . . 1 . . . . . 240 T CB . 51101 1 906 . 1 . 1 241 241 THR N N 15 109.347 . . 1 . . . . . 240 T N . 51101 1 907 . 1 . 1 242 242 PHE H H 1 8.658 . . 1 . . . . . 241 F HN . 51101 1 908 . 1 . 1 242 242 PHE C C 13 172.424 . . 1 . . . . . 241 F C . 51101 1 909 . 1 . 1 242 242 PHE CA C 13 57.402 . . 1 . . . . . 241 F CA . 51101 1 910 . 1 . 1 242 242 PHE CB C 13 43.042 . . 1 . . . . . 241 F CB . 51101 1 911 . 1 . 1 242 242 PHE N N 15 120.089 . . 1 . . . . . 241 F N . 51101 1 912 . 1 . 1 243 243 GLN H H 1 8.450 . . 1 . . . . . 242 Q HN . 51101 1 913 . 1 . 1 243 243 GLN C C 13 176.312 . . 1 . . . . . 242 Q C . 51101 1 914 . 1 . 1 243 243 GLN CA C 13 52.852 . . 1 . . . . . 242 Q CA . 51101 1 915 . 1 . 1 243 243 GLN CB C 13 32.632 . . 1 . . . . . 242 Q CB . 51101 1 916 . 1 . 1 243 243 GLN N N 15 111.044 . . 1 . . . . . 242 Q N . 51101 1 917 . 1 . 1 244 244 LYS H H 1 9.510 . . 1 . . . . . 243 K HN . 51101 1 918 . 1 . 1 244 244 LYS C C 13 172.757 . . 1 . . . . . 243 K C . 51101 1 919 . 1 . 1 244 244 LYS CA C 13 57.183 . . 1 . . . . . 243 K CA . 51101 1 920 . 1 . 1 244 244 LYS CB C 13 37.960 . . 1 . . . . . 243 K CB . 51101 1 921 . 1 . 1 244 244 LYS N N 15 120.588 . . 1 . . . . . 243 K N . 51101 1 922 . 1 . 1 245 245 TRP H H 1 6.115 . . 1 . . . . . 244 W HN . 51101 1 923 . 1 . 1 245 245 TRP C C 13 174.590 . . 1 . . . . . 244 W C . 51101 1 924 . 1 . 1 245 245 TRP CA C 13 54.636 . . 1 . . . . . 244 W CA . 51101 1 925 . 1 . 1 245 245 TRP CB C 13 32.975 . . 1 . . . . . 244 W CB . 51101 1 926 . 1 . 1 245 245 TRP N N 15 116.402 . . 1 . . . . . 244 W N . 51101 1 927 . 1 . 1 246 246 ALA H H 1 8.691 . . 1 . . . . . 245 A HN . 51101 1 928 . 1 . 1 246 246 ALA C C 13 177.839 . . 1 . . . . . 245 A C . 51101 1 929 . 1 . 1 246 246 ALA CA C 13 50.357 . . 1 . . . . . 245 A CA . 51101 1 930 . 1 . 1 246 246 ALA CB C 13 23.096 . . 1 . . . . . 245 A CB . 51101 1 931 . 1 . 1 246 246 ALA N N 15 119.100 . . 1 . . . . . 245 A N . 51101 1 932 . 1 . 1 248 248 VAL H H 1 8.198 . . 1 . . . . . 247 V HN . 51101 1 933 . 1 . 1 248 248 VAL C C 13 173.022 . . 1 . . . . . 247 V C . 51101 1 934 . 1 . 1 248 248 VAL CA C 13 58.767 . . 1 . . . . . 247 V CA . 51101 1 935 . 1 . 1 248 248 VAL CB C 13 34.401 . . 1 . . . . . 247 V CB . 51101 1 936 . 1 . 1 248 248 VAL N N 15 117.370 . . 1 . . . . . 247 V N . 51101 1 937 . 1 . 1 249 249 VAL H H 1 7.786 . . 1 . . . . . 248 V HN . 51101 1 938 . 1 . 1 249 249 VAL C C 13 176.518 . . 1 . . . . . 248 V C . 51101 1 939 . 1 . 1 249 249 VAL CA C 13 61.222 . . 1 . . . . . 248 V CA . 51101 1 940 . 1 . 1 249 249 VAL CB C 13 31.037 . . 1 . . . . . 248 V CB . 51101 1 941 . 1 . 1 249 249 VAL N N 15 125.698 . . 1 . . . . . 248 V N . 51101 1 942 . 1 . 1 250 250 VAL H H 1 9.133 . . 1 . . . . . 249 V HN . 51101 1 943 . 1 . 1 250 250 VAL CA C 13 56.409 . . 1 . . . . . 249 V CA . 51101 1 944 . 1 . 1 250 250 VAL CB C 13 32.006 . . 1 . . . . . 249 V CB . 51101 1 945 . 1 . 1 250 250 VAL N N 15 123.620 . . 1 . . . . . 249 V N . 51101 1 946 . 1 . 1 251 251 PRO C C 13 178.202 . . 1 . . . . . 250 P C . 51101 1 947 . 1 . 1 252 252 SER H H 1 7.991 . . 1 . . . . . 251 S HN . 51101 1 948 . 1 . 1 252 252 SER C C 13 176.832 . . 1 . . . . . 251 S C . 51101 1 949 . 1 . 1 252 252 SER CA C 13 59.411 . . 1 . . . . . 251 S CA . 51101 1 950 . 1 . 1 252 252 SER CB C 13 62.135 . . 1 . . . . . 251 S CB . 51101 1 951 . 1 . 1 252 252 SER N N 15 120.215 . . 1 . . . . . 251 S N . 51101 1 952 . 1 . 1 253 253 GLY H H 1 9.382 . . 1 . . . . . 252 G HN . 51101 1 953 . 1 . 1 253 253 GLY C C 13 176.187 . . 1 . . . . . 252 G C . 51101 1 954 . 1 . 1 253 253 GLY CA C 13 45.034 . . 1 . . . . . 252 G CA . 51101 1 955 . 1 . 1 253 253 GLY N N 15 117.431 . . 1 . . . . . 252 G N . 51101 1 956 . 1 . 1 254 254 GLN H H 1 8.076 . . 1 . . . . . 253 Q HN . 51101 1 957 . 1 . 1 254 254 GLN C C 13 177.367 . . 1 . . . . . 253 Q C . 51101 1 958 . 1 . 1 254 254 GLN CA C 13 54.720 . . 1 . . . . . 253 Q CA . 51101 1 959 . 1 . 1 254 254 GLN CB C 13 27.944 . . 1 . . . . . 253 Q CB . 51101 1 960 . 1 . 1 254 254 GLN N N 15 118.789 . . 1 . . . . . 253 Q N . 51101 1 961 . 1 . 1 256 256 GLN H H 1 8.935 . . 1 . . . . . 255 Q HN . 51101 1 962 . 1 . 1 256 256 GLN C C 13 177.370 . . 1 . . . . . 255 Q C . 51101 1 963 . 1 . 1 256 256 GLN CA C 13 57.798 . . 1 . . . . . 255 Q CA . 51101 1 964 . 1 . 1 256 256 GLN CB C 13 27.227 . . 1 . . . . . 255 Q CB . 51101 1 965 . 1 . 1 256 256 GLN N N 15 114.006 . . 1 . . . . . 255 Q N . 51101 1 966 . 1 . 1 257 257 ARG H H 1 8.116 . . 1 . . . . . 256 R HN . 51101 1 967 . 1 . 1 257 257 ARG C C 13 176.847 . . 1 . . . . . 256 R C . 51101 1 968 . 1 . 1 257 257 ARG CA C 13 56.867 . . 1 . . . . . 256 R CA . 51101 1 969 . 1 . 1 257 257 ARG CB C 13 30.107 . . 1 . . . . . 256 R CB . 51101 1 970 . 1 . 1 257 257 ARG N N 15 118.220 . . 1 . . . . . 256 R N . 51101 1 971 . 1 . 1 258 258 TYR H H 1 7.891 . . 1 . . . . . 257 Y HN . 51101 1 972 . 1 . 1 258 258 TYR C C 13 176.561 . . 1 . . . . . 257 Y C . 51101 1 973 . 1 . 1 258 258 TYR CA C 13 57.211 . . 1 . . . . . 257 Y CA . 51101 1 974 . 1 . 1 258 258 TYR CB C 13 39.577 . . 1 . . . . . 257 Y CB . 51101 1 975 . 1 . 1 258 258 TYR N N 15 120.331 . . 1 . . . . . 257 Y N . 51101 1 976 . 1 . 1 259 259 THR H H 1 9.333 . . 1 . . . . . 258 T HN . 51101 1 977 . 1 . 1 259 259 THR C C 13 172.862 . . 1 . . . . . 258 T C . 51101 1 978 . 1 . 1 259 259 THR CA C 13 58.714 . . 1 . . . . . 258 T CA . 51101 1 979 . 1 . 1 259 259 THR CB C 13 70.285 . . 1 . . . . . 258 T CB . 51101 1 980 . 1 . 1 259 259 THR N N 15 112.906 . . 1 . . . . . 258 T N . 51101 1 981 . 1 . 1 260 260 CYS H H 1 8.668 . . 1 . . . . . 259 C HN . 51101 1 982 . 1 . 1 260 260 CYS C C 13 172.615 . . 1 . . . . . 259 C C . 51101 1 983 . 1 . 1 260 260 CYS N N 15 123.371 . . 1 . . . . . 259 C N . 51101 1 984 . 1 . 1 261 261 HIS H H 1 9.155 . . 1 . . . . . 260 H HN . 51101 1 985 . 1 . 1 261 261 HIS C C 13 175.493 . . 1 . . . . . 260 H C . 51101 1 986 . 1 . 1 261 261 HIS CA C 13 54.242 . . 1 . . . . . 260 H CA . 51101 1 987 . 1 . 1 261 261 HIS CB C 13 30.253 . . 1 . . . . . 260 H CB . 51101 1 988 . 1 . 1 261 261 HIS N N 15 128.539 . . 1 . . . . . 260 H N . 51101 1 989 . 1 . 1 262 262 VAL H H 1 8.495 . . 1 . . . . . 261 V HN . 51101 1 990 . 1 . 1 262 262 VAL C C 13 174.781 . . 1 . . . . . 261 V C . 51101 1 991 . 1 . 1 262 262 VAL CA C 13 60.497 . . 1 . . . . . 261 V CA . 51101 1 992 . 1 . 1 262 262 VAL CB C 13 33.428 . . 1 . . . . . 261 V CB . 51101 1 993 . 1 . 1 262 262 VAL N N 15 124.877 . . 1 . . . . . 261 V N . 51101 1 994 . 1 . 1 263 263 GLN H H 1 8.458 . . 1 . . . . . 262 Q HN . 51101 1 995 . 1 . 1 263 263 GLN C C 13 174.351 . . 1 . . . . . 262 Q C . 51101 1 996 . 1 . 1 263 263 GLN CA C 13 53.817 . . 1 . . . . . 262 Q CA . 51101 1 997 . 1 . 1 263 263 GLN CB C 13 31.049 . . 1 . . . . . 262 Q CB . 51101 1 998 . 1 . 1 263 263 GLN N N 15 124.696 . . 1 . . . . . 262 Q N . 51101 1 999 . 1 . 1 264 264 HIS H H 1 8.005 . . 1 . . . . . 263 H HN . 51101 1 1000 . 1 . 1 264 264 HIS C C 13 175.562 . . 1 . . . . . 263 H C . 51101 1 1001 . 1 . 1 264 264 HIS CA C 13 57.520 . . 1 . . . . . 263 H CA . 51101 1 1002 . 1 . 1 264 264 HIS CB C 13 35.575 . . 1 . . . . . 263 H CB . 51101 1 1003 . 1 . 1 264 264 HIS N N 15 122.996 . . 1 . . . . . 263 H N . 51101 1 1004 . 1 . 1 265 265 GLU H H 1 8.267 . . 1 . . . . . 264 E HN . 51101 1 1005 . 1 . 1 265 265 GLU C C 13 177.704 . . 1 . . . . . 264 E C . 51101 1 1006 . 1 . 1 265 265 GLU CA C 13 58.523 . . 1 . . . . . 264 E CA . 51101 1 1007 . 1 . 1 265 265 GLU CB C 13 29.260 . . 1 . . . . . 264 E CB . 51101 1 1008 . 1 . 1 265 265 GLU N N 15 127.415 . . 1 . . . . . 264 E N . 51101 1 1009 . 1 . 1 267 267 LEU H H 1 7.976 . . 1 . . . . . 266 L HN . 51101 1 1010 . 1 . 1 267 267 LEU CA C 13 50.895 . . 1 . . . . . 266 L CA . 51101 1 1011 . 1 . 1 267 267 LEU CB C 13 41.275 . . 1 . . . . . 266 L CB . 51101 1 1012 . 1 . 1 267 267 LEU N N 15 122.147 . . 1 . . . . . 266 L N . 51101 1 1013 . 1 . 1 268 268 PRO C C 13 177.513 . . 1 . . . . . 267 P C . 51101 1 1014 . 1 . 1 269 269 LYS H H 1 7.195 . . 1 . . . . . 268 K HN . 51101 1 1015 . 1 . 1 269 269 LYS CA C 13 52.721 . . 1 . . . . . 268 K CA . 51101 1 1016 . 1 . 1 269 269 LYS CB C 13 33.117 . . 1 . . . . . 268 K CB . 51101 1 1017 . 1 . 1 269 269 LYS N N 15 114.751 . . 1 . . . . . 268 K N . 51101 1 1018 . 1 . 1 270 270 PRO C C 13 177.496 . . 1 . . . . . 269 P C . 51101 1 1019 . 1 . 1 271 271 LEU H H 1 8.298 . . 1 . . . . . 270 L HN . 51101 1 1020 . 1 . 1 271 271 LEU C C 13 177.406 . . 1 . . . . . 270 L C . 51101 1 1021 . 1 . 1 271 271 LEU CA C 13 53.602 . . 1 . . . . . 270 L CA . 51101 1 1022 . 1 . 1 271 271 LEU CB C 13 44.362 . . 1 . . . . . 270 L CB . 51101 1 1023 . 1 . 1 271 271 LEU N N 15 123.762 . . 1 . . . . . 270 L N . 51101 1 1024 . 1 . 1 272 272 THR H H 1 8.316 . . 1 . . . . . 271 T HN . 51101 1 1025 . 1 . 1 272 272 THR C C 13 174.281 . . 1 . . . . . 271 T C . 51101 1 1026 . 1 . 1 272 272 THR CA C 13 61.115 . . 1 . . . . . 271 T CA . 51101 1 1027 . 1 . 1 272 272 THR CB C 13 69.789 . . 1 . . . . . 271 T CB . 51101 1 1028 . 1 . 1 272 272 THR N N 15 118.319 . . 1 . . . . . 271 T N . 51101 1 1029 . 1 . 1 273 273 LEU H H 1 9.447 . . 1 . . . . . 272 L HN . 51101 1 1030 . 1 . 1 273 273 LEU C C 13 175.267 . . 1 . . . . . 272 L C . 51101 1 1031 . 1 . 1 273 273 LEU CA C 13 54.682 . . 1 . . . . . 272 L CA . 51101 1 1032 . 1 . 1 273 273 LEU CB C 13 44.373 . . 1 . . . . . 272 L CB . 51101 1 1033 . 1 . 1 273 273 LEU N N 15 128.496 . . 1 . . . . . 272 L N . 51101 1 1034 . 1 . 1 274 274 ARG H H 1 8.285 . . 1 . . . . . 273 R HN . 51101 1 1035 . 1 . 1 274 274 ARG C C 13 175.366 . . 1 . . . . . 273 R C . 51101 1 1036 . 1 . 1 274 274 ARG CA C 13 54.229 . . 1 . . . . . 273 R CA . 51101 1 1037 . 1 . 1 274 274 ARG CB C 13 33.721 . . 1 . . . . . 273 R CB . 51101 1 1038 . 1 . 1 274 274 ARG N N 15 120.677 . . 1 . . . . . 273 R N . 51101 1 1039 . 1 . 1 275 275 TRP H H 1 9.935 . . 1 . . . . . 274 W HN . 51101 1 1040 . 1 . 1 275 275 TRP C C 13 175.443 . . 1 . . . . . 274 W C . 51101 1 1041 . 1 . 1 275 275 TRP CA C 13 57.814 . . 1 . . . . . 274 W CA . 51101 1 1042 . 1 . 1 275 275 TRP CB C 13 29.243 . . 1 . . . . . 274 W CB . 51101 1 1043 . 1 . 1 275 275 TRP N N 15 126.919 . . 1 . . . . . 274 W N . 51101 1 1044 . 1 . 1 276 276 GLU H H 1 7.242 . . 1 . . . . . 275 E HN . 51101 1 1045 . 1 . 1 276 276 GLU CA C 13 52.485 . . 1 . . . . . 275 E CA . 51101 1 1046 . 1 . 1 276 276 GLU CB C 13 30.036 . . 1 . . . . . 275 E CB . 51101 1 1047 . 1 . 1 276 276 GLU N N 15 127.465 . . 1 . . . . . 275 E N . 51101 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51101 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Human Beta-2 microglobulin' _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 5 '2D 1H-15N TROSY' . . . 51101 2 6 '3D HNCO' . . . 51101 2 7 '3D HNCA' . . . 51101 2 8 '3D HNCACB' . . . 51101 2 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 . . 51101 2 2 $software_2 . . 51101 2 3 $software_3 . . 51101 2 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 . 2 . 2 2 2 ILE C C 13 175.109 . . 1 . . . . . 1 I C . 51101 2 2 . 2 . 2 2 2 ILE CB C 13 37.518 . . 1 . . . . . 1 I CB . 51101 2 3 . 2 . 2 3 3 GLN H H 1 8.163 . . 1 . . . . . 2 Q HN . 51101 2 4 . 2 . 2 3 3 GLN C C 13 175.410 . . 1 . . . . . 2 Q C . 51101 2 5 . 2 . 2 3 3 GLN CB C 13 30.055 . . 1 . . . . . 2 Q CB . 51101 2 6 . 2 . 2 3 3 GLN N N 15 122.666 . . 1 . . . . . 2 Q N . 51101 2 7 . 2 . 2 4 4 ARG H H 1 9.549 . . 1 . . . . . 3 R HN . 51101 2 8 . 2 . 2 4 4 ARG C C 13 175.066 . . 1 . . . . . 3 R C . 51101 2 9 . 2 . 2 4 4 ARG CB C 13 33.127 . . 1 . . . . . 3 R CB . 51101 2 10 . 2 . 2 4 4 ARG N N 15 123.807 . . 1 . . . . . 3 R N . 51101 2 11 . 2 . 2 5 5 THR H H 1 8.383 . . 1 . . . . . 4 T HN . 51101 2 12 . 2 . 2 5 5 THR CB C 13 70.580 . . 1 . . . . . 4 T CB . 51101 2 13 . 2 . 2 5 5 THR N N 15 120.992 . . 1 . . . . . 4 T N . 51101 2 14 . 2 . 2 6 6 PRO C C 13 176.433 . . 1 . . . . . 5 P C . 51101 2 15 . 2 . 2 7 7 LYS H H 1 9.257 . . 1 . . . . . 6 K HN . 51101 2 16 . 2 . 2 7 7 LYS C C 13 176.466 . . 1 . . . . . 6 K C . 51101 2 17 . 2 . 2 7 7 LYS CB C 13 31.391 . . 1 . . . . . 6 K CB . 51101 2 18 . 2 . 2 7 7 LYS N N 15 124.525 . . 1 . . . . . 6 K N . 51101 2 19 . 2 . 2 8 8 ILE H H 1 8.319 . . 1 . . . . . 7 I HN . 51101 2 20 . 2 . 2 8 8 ILE C C 13 175.891 . . 1 . . . . . 7 I C . 51101 2 21 . 2 . 2 8 8 ILE CB C 13 41.529 . . 1 . . . . . 7 I CB . 51101 2 22 . 2 . 2 8 8 ILE N N 15 122.818 . . 1 . . . . . 7 I N . 51101 2 23 . 2 . 2 9 9 GLN H H 1 8.946 . . 1 . . . . . 8 Q HN . 51101 2 24 . 2 . 2 9 9 GLN C C 13 173.732 . . 1 . . . . . 8 Q C . 51101 2 25 . 2 . 2 9 9 GLN CB C 13 34.302 . . 1 . . . . . 8 Q CB . 51101 2 26 . 2 . 2 9 9 GLN N N 15 124.468 . . 1 . . . . . 8 Q N . 51101 2 27 . 2 . 2 10 10 VAL H H 1 9.339 . . 1 . . . . . 9 V HN . 51101 2 28 . 2 . 2 10 10 VAL C C 13 174.583 . . 1 . . . . . 9 V C . 51101 2 29 . 2 . 2 10 10 VAL CB C 13 33.346 . . 1 . . . . . 9 V CB . 51101 2 30 . 2 . 2 10 10 VAL N N 15 124.460 . . 1 . . . . . 9 V N . 51101 2 31 . 2 . 2 11 11 TYR H H 1 8.638 . . 1 . . . . . 10 Y HN . 51101 2 32 . 2 . 2 11 11 TYR C C 13 172.460 . . 1 . . . . . 10 Y C . 51101 2 33 . 2 . 2 11 11 TYR CB C 13 37.568 . . 1 . . . . . 10 Y CB . 51101 2 34 . 2 . 2 11 11 TYR N N 15 123.611 . . 1 . . . . . 10 Y N . 51101 2 35 . 2 . 2 12 12 SER H H 1 8.959 . . 1 . . . . . 11 S HN . 51101 2 36 . 2 . 2 12 12 SER C C 13 175.409 . . 1 . . . . . 11 S C . 51101 2 37 . 2 . 2 12 12 SER CB C 13 65.112 . . 1 . . . . . 11 S CB . 51101 2 38 . 2 . 2 12 12 SER N N 15 113.817 . . 1 . . . . . 11 S N . 51101 2 39 . 2 . 2 13 13 ARG H H 1 8.794 . . 1 . . . . . 12 R HN . 51101 2 40 . 2 . 2 13 13 ARG C C 13 174.252 . . 1 . . . . . 12 R C . 51101 2 41 . 2 . 2 13 13 ARG CB C 13 31.964 . . 1 . . . . . 12 R CB . 51101 2 42 . 2 . 2 13 13 ARG N N 15 123.087 . . 1 . . . . . 12 R N . 51101 2 43 . 2 . 2 14 14 HIS H H 1 8.209 . . 1 . . . . . 13 H HN . 51101 2 44 . 2 . 2 14 14 HIS CB C 13 29.967 . . 1 . . . . . 13 H CB . 51101 2 45 . 2 . 2 14 14 HIS N N 15 114.407 . . 1 . . . . . 13 H N . 51101 2 46 . 2 . 2 15 15 PRO C C 13 177.039 . . 1 . . . . . 14 P C . 51101 2 47 . 2 . 2 16 16 ALA H H 1 8.932 . . 1 . . . . . 15 A HN . 51101 2 48 . 2 . 2 16 16 ALA C C 13 176.885 . . 1 . . . . . 15 A C . 51101 2 49 . 2 . 2 16 16 ALA CB C 13 19.015 . . 1 . . . . . 15 A CB . 51101 2 50 . 2 . 2 16 16 ALA N N 15 127.715 . . 1 . . . . . 15 A N . 51101 2 51 . 2 . 2 17 17 GLU H H 1 8.935 . . 1 . . . . . 16 E HN . 51101 2 52 . 2 . 2 17 17 GLU C C 13 175.069 . . 1 . . . . . 16 E C . 51101 2 53 . 2 . 2 17 17 GLU CB C 13 31.805 . . 1 . . . . . 16 E CB . 51101 2 54 . 2 . 2 17 17 GLU N N 15 124.757 . . 1 . . . . . 16 E N . 51101 2 55 . 2 . 2 18 18 ASN H H 1 8.805 . . 1 . . . . . 17 N HN . 51101 2 56 . 2 . 2 18 18 ASN C C 13 177.531 . . 1 . . . . . 17 N C . 51101 2 57 . 2 . 2 18 18 ASN CB C 13 36.108 . . 1 . . . . . 17 N CB . 51101 2 58 . 2 . 2 18 18 ASN N N 15 123.611 . . 1 . . . . . 17 N N . 51101 2 59 . 2 . 2 19 19 GLY H H 1 8.855 . . 1 . . . . . 18 G HN . 51101 2 60 . 2 . 2 19 19 GLY C C 13 173.350 . . 1 . . . . . 18 G C . 51101 2 61 . 2 . 2 19 19 GLY CA C 13 44.778 . . 1 . . . . . 18 G CA . 51101 2 62 . 2 . 2 19 19 GLY N N 15 109.417 . . 1 . . . . . 18 G N . 51101 2 63 . 2 . 2 20 20 LYS H H 1 7.877 . . 1 . . . . . 19 K HN . 51101 2 64 . 2 . 2 20 20 LYS C C 13 175.368 . . 1 . . . . . 19 K C . 51101 2 65 . 2 . 2 20 20 LYS CB C 13 32.460 . . 1 . . . . . 19 K CB . 51101 2 66 . 2 . 2 20 20 LYS N N 15 122.002 . . 1 . . . . . 19 K N . 51101 2 67 . 2 . 2 21 21 SER H H 1 8.368 . . 1 . . . . . 20 S HN . 51101 2 68 . 2 . 2 21 21 SER C C 13 173.549 . . 1 . . . . . 20 S C . 51101 2 69 . 2 . 2 21 21 SER CB C 13 62.302 . . 1 . . . . . 20 S CB . 51101 2 70 . 2 . 2 21 21 SER N N 15 120.708 . . 1 . . . . . 20 S N . 51101 2 71 . 2 . 2 22 22 ASN H H 1 8.914 . . 1 . . . . . 21 N HN . 51101 2 72 . 2 . 2 22 22 ASN C C 13 174.016 . . 1 . . . . . 21 N C . 51101 2 73 . 2 . 2 22 22 ASN CB C 13 41.678 . . 1 . . . . . 21 N CB . 51101 2 74 . 2 . 2 22 22 ASN N N 15 127.446 . . 1 . . . . . 21 N N . 51101 2 75 . 2 . 2 23 23 PHE H H 1 10.444 . . 1 . . . . . 22 F HN . 51101 2 76 . 2 . 2 23 23 PHE C C 13 173.033 . . 1 . . . . . 22 F C . 51101 2 77 . 2 . 2 23 23 PHE CB C 13 41.545 . . 1 . . . . . 22 F CB . 51101 2 78 . 2 . 2 23 23 PHE N N 15 121.168 . . 1 . . . . . 22 F N . 51101 2 79 . 2 . 2 24 24 LEU H H 1 8.923 . . 1 . . . . . 23 L HN . 51101 2 80 . 2 . 2 24 24 LEU C C 13 172.438 . . 1 . . . . . 23 L C . 51101 2 81 . 2 . 2 24 24 LEU CB C 13 39.904 . . 1 . . . . . 23 L CB . 51101 2 82 . 2 . 2 24 24 LEU N N 15 127.424 . . 1 . . . . . 23 L N . 51101 2 83 . 2 . 2 25 25 ASN H H 1 8.387 . . 1 . . . . . 24 N HN . 51101 2 84 . 2 . 2 25 25 ASN C C 13 173.915 . . 1 . . . . . 24 N C . 51101 2 85 . 2 . 2 25 25 ASN CB C 13 39.877 . . 1 . . . . . 24 N CB . 51101 2 86 . 2 . 2 25 25 ASN N N 15 122.524 . . 1 . . . . . 24 N N . 51101 2 87 . 2 . 2 26 26 CYS H H 1 9.602 . . 1 . . . . . 25 C HN . 51101 2 88 . 2 . 2 26 26 CYS C C 13 171.964 . . 1 . . . . . 25 C C . 51101 2 89 . 2 . 2 26 26 CYS N N 15 120.703 . . 1 . . . . . 25 C N . 51101 2 90 . 2 . 2 27 27 TYR H H 1 9.725 . . 1 . . . . . 26 Y HN . 51101 2 91 . 2 . 2 27 27 TYR C C 13 174.616 . . 1 . . . . . 26 Y C . 51101 2 92 . 2 . 2 27 27 TYR CB C 13 41.768 . . 1 . . . . . 26 Y CB . 51101 2 93 . 2 . 2 27 27 TYR N N 15 129.846 . . 1 . . . . . 26 Y N . 51101 2 94 . 2 . 2 28 28 VAL H H 1 8.925 . . 1 . . . . . 27 V HN . 51101 2 95 . 2 . 2 28 28 VAL C C 13 174.291 . . 1 . . . . . 27 V C . 51101 2 96 . 2 . 2 28 28 VAL CB C 13 32.475 . . 1 . . . . . 27 V CB . 51101 2 97 . 2 . 2 28 28 VAL N N 15 126.889 . . 1 . . . . . 27 V N . 51101 2 98 . 2 . 2 29 29 SER H H 1 8.851 . . 1 . . . . . 28 S HN . 51101 2 99 . 2 . 2 29 29 SER C C 13 174.667 . . 1 . . . . . 28 S C . 51101 2 100 . 2 . 2 29 29 SER CB C 13 65.808 . . 1 . . . . . 28 S CB . 51101 2 101 . 2 . 2 29 29 SER N N 15 117.639 . . 1 . . . . . 28 S N . 51101 2 102 . 2 . 2 30 30 GLY H H 1 8.327 . . 1 . . . . . 29 G HN . 51101 2 103 . 2 . 2 30 30 GLY C C 13 173.760 . . 1 . . . . . 29 G C . 51101 2 104 . 2 . 2 30 30 GLY N N 15 108.176 . . 1 . . . . . 29 G N . 51101 2 105 . 2 . 2 31 31 PHE H H 1 7.258 . . 1 . . . . . 30 F HN . 51101 2 106 . 2 . 2 31 31 PHE C C 13 174.401 . . 1 . . . . . 30 F C . 51101 2 107 . 2 . 2 31 31 PHE CB C 13 41.745 . . 1 . . . . . 30 F CB . 51101 2 108 . 2 . 2 31 31 PHE N N 15 111.124 . . 1 . . . . . 30 F N . 51101 2 109 . 2 . 2 32 32 HIS H H 1 8.614 . . 1 . . . . . 31 H HN . 51101 2 110 . 2 . 2 32 32 HIS N N 15 123.400 . . 1 . . . . . 31 H N . 51101 2 111 . 2 . 2 33 33 PRO C C 13 176.715 . . 1 . . . . . 32 P C . 51101 2 112 . 2 . 2 34 34 SER H H 1 8.774 . . 1 . . . . . 33 S HN . 51101 2 113 . 2 . 2 34 34 SER C C 13 174.237 . . 1 . . . . . 33 S C . 51101 2 114 . 2 . 2 34 34 SER CB C 13 62.785 . . 1 . . . . . 33 S CB . 51101 2 115 . 2 . 2 34 34 SER N N 15 112.441 . . 1 . . . . . 33 S N . 51101 2 116 . 2 . 2 35 35 ASP H H 1 7.247 . . 1 . . . . . 34 D HN . 51101 2 117 . 2 . 2 35 35 ASP C C 13 174.224 . . 1 . . . . . 34 D C . 51101 2 118 . 2 . 2 35 35 ASP CB C 13 39.635 . . 1 . . . . . 34 D CB . 51101 2 119 . 2 . 2 35 35 ASP N N 15 121.431 . . 1 . . . . . 34 D N . 51101 2 120 . 2 . 2 36 36 ILE H H 1 7.822 . . 1 . . . . . 35 I HN . 51101 2 121 . 2 . 2 36 36 ILE C C 13 171.877 . . 1 . . . . . 35 I C . 51101 2 122 . 2 . 2 36 36 ILE CB C 13 40.014 . . 1 . . . . . 35 I CB . 51101 2 123 . 2 . 2 36 36 ILE N N 15 123.939 . . 1 . . . . . 35 I N . 51101 2 124 . 2 . 2 37 37 GLU H H 1 8.091 . . 1 . . . . . 36 E HN . 51101 2 125 . 2 . 2 37 37 GLU C C 13 174.327 . . 1 . . . . . 36 E C . 51101 2 126 . 2 . 2 37 37 GLU CB C 13 31.186 . . 1 . . . . . 36 E CB . 51101 2 127 . 2 . 2 37 37 GLU N N 15 126.406 . . 1 . . . . . 36 E N . 51101 2 128 . 2 . 2 38 38 VAL H H 1 7.769 . . 1 . . . . . 37 V HN . 51101 2 129 . 2 . 2 38 38 VAL C C 13 173.651 . . 1 . . . . . 37 V C . 51101 2 130 . 2 . 2 38 38 VAL CB C 13 32.636 . . 1 . . . . . 37 V CB . 51101 2 131 . 2 . 2 38 38 VAL N N 15 125.317 . . 1 . . . . . 37 V N . 51101 2 132 . 2 . 2 39 39 ASP H H 1 8.819 . . 1 . . . . . 38 D HN . 51101 2 133 . 2 . 2 39 39 ASP C C 13 174.340 . . 1 . . . . . 38 D C . 51101 2 134 . 2 . 2 39 39 ASP CB C 13 45.075 . . 1 . . . . . 38 D CB . 51101 2 135 . 2 . 2 39 39 ASP N N 15 123.327 . . 1 . . . . . 38 D N . 51101 2 136 . 2 . 2 40 40 LEU H H 1 8.984 . . 1 . . . . . 39 L HN . 51101 2 137 . 2 . 2 40 40 LEU C C 13 174.611 . . 1 . . . . . 39 L C . 51101 2 138 . 2 . 2 40 40 LEU CB C 13 42.492 . . 1 . . . . . 39 L CB . 51101 2 139 . 2 . 2 40 40 LEU N N 15 121.695 . . 1 . . . . . 39 L N . 51101 2 140 . 2 . 2 41 41 LEU H H 1 8.913 . . 1 . . . . . 40 L HN . 51101 2 141 . 2 . 2 41 41 LEU C C 13 175.481 . . 1 . . . . . 40 L C . 51101 2 142 . 2 . 2 41 41 LEU CB C 13 44.329 . . 1 . . . . . 40 L CB . 51101 2 143 . 2 . 2 41 41 LEU N N 15 120.657 . . 1 . . . . . 40 L N . 51101 2 144 . 2 . 2 42 42 LYS H H 1 8.792 . . 1 . . . . . 41 K HN . 51101 2 145 . 2 . 2 42 42 LYS C C 13 176.439 . . 1 . . . . . 41 K C . 51101 2 146 . 2 . 2 42 42 LYS CB C 13 33.134 . . 1 . . . . . 41 K CB . 51101 2 147 . 2 . 2 42 42 LYS N N 15 121.311 . . 1 . . . . . 41 K N . 51101 2 148 . 2 . 2 43 43 ASN H H 1 9.751 . . 1 . . . . . 42 N HN . 51101 2 149 . 2 . 2 43 43 ASN C C 13 175.676 . . 1 . . . . . 42 N C . 51101 2 150 . 2 . 2 43 43 ASN CB C 13 36.575 . . 1 . . . . . 42 N CB . 51101 2 151 . 2 . 2 43 43 ASN N N 15 128.734 . . 1 . . . . . 42 N N . 51101 2 152 . 2 . 2 44 44 GLY H H 1 8.840 . . 1 . . . . . 43 G HN . 51101 2 153 . 2 . 2 44 44 GLY C C 13 173.144 . . 1 . . . . . 43 G C . 51101 2 154 . 2 . 2 44 44 GLY N N 15 102.881 . . 1 . . . . . 43 G N . 51101 2 155 . 2 . 2 45 45 GLU H H 1 7.769 . . 1 . . . . . 44 E HN . 51101 2 156 . 2 . 2 45 45 GLU C C 13 175.794 . . 1 . . . . . 44 E C . 51101 2 157 . 2 . 2 45 45 GLU CB C 13 30.859 . . 1 . . . . . 44 E CB . 51101 2 158 . 2 . 2 45 45 GLU N N 15 121.248 . . 1 . . . . . 44 E N . 51101 2 159 . 2 . 2 46 46 ARG H H 1 8.681 . . 1 . . . . . 45 R HN . 51101 2 160 . 2 . 2 46 46 ARG C C 13 176.299 . . 1 . . . . . 45 R C . 51101 2 161 . 2 . 2 46 46 ARG CB C 13 29.486 . . 1 . . . . . 45 R CB . 51101 2 162 . 2 . 2 46 46 ARG N N 15 124.930 . . 1 . . . . . 45 R N . 51101 2 163 . 2 . 2 47 47 ILE H H 1 8.837 . . 1 . . . . . 46 I HN . 51101 2 164 . 2 . 2 47 47 ILE C C 13 176.136 . . 1 . . . . . 46 I C . 51101 2 165 . 2 . 2 47 47 ILE CB C 13 37.895 . . 1 . . . . . 46 I CB . 51101 2 166 . 2 . 2 47 47 ILE N N 15 129.340 . . 1 . . . . . 46 I N . 51101 2 167 . 2 . 2 48 48 GLU H H 1 8.478 . . 1 . . . . . 47 E HN . 51101 2 168 . 2 . 2 48 48 GLU C C 13 177.290 . . 1 . . . . . 47 E C . 51101 2 169 . 2 . 2 48 48 GLU CB C 13 29.695 . . 1 . . . . . 47 E CB . 51101 2 170 . 2 . 2 48 48 GLU N N 15 126.617 . . 1 . . . . . 47 E N . 51101 2 171 . 2 . 2 49 49 LYS H H 1 8.052 . . 1 . . . . . 48 K HN . 51101 2 172 . 2 . 2 49 49 LYS C C 13 174.550 . . 1 . . . . . 48 K C . 51101 2 173 . 2 . 2 49 49 LYS CB C 13 29.676 . . 1 . . . . . 48 K CB . 51101 2 174 . 2 . 2 49 49 LYS N N 15 119.759 . . 1 . . . . . 48 K N . 51101 2 175 . 2 . 2 50 50 VAL H H 1 7.828 . . 1 . . . . . 49 V HN . 51101 2 176 . 2 . 2 50 50 VAL C C 13 175.223 . . 1 . . . . . 49 V C . 51101 2 177 . 2 . 2 50 50 VAL CB C 13 33.724 . . 1 . . . . . 49 V CB . 51101 2 178 . 2 . 2 50 50 VAL N N 15 124.490 . . 1 . . . . . 49 V N . 51101 2 179 . 2 . 2 51 51 GLU H H 1 8.280 . . 1 . . . . . 50 E HN . 51101 2 180 . 2 . 2 51 51 GLU C C 13 173.989 . . 1 . . . . . 50 E C . 51101 2 181 . 2 . 2 51 51 GLU CB C 13 31.723 . . 1 . . . . . 50 E CB . 51101 2 182 . 2 . 2 51 51 GLU N N 15 127.129 . . 1 . . . . . 50 E N . 51101 2 183 . 2 . 2 52 52 HIS H H 1 8.074 . . 1 . . . . . 51 H HN . 51101 2 184 . 2 . 2 52 52 HIS C C 13 175.310 . . 1 . . . . . 51 H C . 51101 2 185 . 2 . 2 52 52 HIS CB C 13 30.027 . . 1 . . . . . 51 H CB . 51101 2 186 . 2 . 2 52 52 HIS N N 15 111.761 . . 1 . . . . . 51 H N . 51101 2 187 . 2 . 2 53 53 SER H H 1 9.047 . . 1 . . . . . 52 S HN . 51101 2 188 . 2 . 2 53 53 SER C C 13 173.903 . . 1 . . . . . 52 S C . 51101 2 189 . 2 . 2 53 53 SER CB C 13 64.363 . . 1 . . . . . 52 S CB . 51101 2 190 . 2 . 2 53 53 SER N N 15 117.159 . . 1 . . . . . 52 S N . 51101 2 191 . 2 . 2 54 54 ASP H H 1 8.769 . . 1 . . . . . 53 D HN . 51101 2 192 . 2 . 2 54 54 ASP C C 13 176.838 . . 1 . . . . . 53 D C . 51101 2 193 . 2 . 2 54 54 ASP CB C 13 42.155 . . 1 . . . . . 53 D CB . 51101 2 194 . 2 . 2 54 54 ASP N N 15 119.261 . . 1 . . . . . 53 D N . 51101 2 195 . 2 . 2 55 55 LEU H H 1 8.738 . . 1 . . . . . 54 L HN . 51101 2 196 . 2 . 2 55 55 LEU C C 13 173.245 . . 1 . . . . . 54 L C . 51101 2 197 . 2 . 2 55 55 LEU CB C 13 42.114 . . 1 . . . . . 54 L CB . 51101 2 198 . 2 . 2 55 55 LEU N N 15 127.633 . . 1 . . . . . 54 L N . 51101 2 199 . 2 . 2 56 56 SER H H 1 6.722 . . 1 . . . . . 55 S HN . 51101 2 200 . 2 . 2 56 56 SER C C 13 171.400 . . 1 . . . . . 55 S C . 51101 2 201 . 2 . 2 56 56 SER CB C 13 63.904 . . 1 . . . . . 55 S CB . 51101 2 202 . 2 . 2 56 56 SER N N 15 117.575 . . 1 . . . . . 55 S N . 51101 2 203 . 2 . 2 57 57 PHE H H 1 6.536 . . 1 . . . . . 56 F HN . 51101 2 204 . 2 . 2 57 57 PHE C C 13 173.883 . . 1 . . . . . 56 F C . 51101 2 205 . 2 . 2 57 57 PHE CB C 13 40.597 . . 1 . . . . . 56 F CB . 51101 2 206 . 2 . 2 57 57 PHE N N 15 112.526 . . 1 . . . . . 56 F N . 51101 2 207 . 2 . 2 58 58 SER H H 1 8.797 . . 1 . . . . . 57 S HN . 51101 2 208 . 2 . 2 58 58 SER CB C 13 63.781 . . 1 . . . . . 57 S CB . 51101 2 209 . 2 . 2 58 58 SER N N 15 114.983 . . 1 . . . . . 57 S N . 51101 2 210 . 2 . 2 59 59 LYS C C 13 175.841 . . 1 . . . . . 58 K C . 51101 2 211 . 2 . 2 59 59 LYS CB C 13 30.911 . . 1 . . . . . 58 K CB . 51101 2 212 . 2 . 2 60 60 ASP H H 1 7.395 . . 1 . . . . . 59 D HN . 51101 2 213 . 2 . 2 60 60 ASP C C 13 176.074 . . 1 . . . . . 59 D C . 51101 2 214 . 2 . 2 60 60 ASP CB C 13 39.025 . . 1 . . . . . 59 D CB . 51101 2 215 . 2 . 2 60 60 ASP N N 15 116.969 . . 1 . . . . . 59 D N . 51101 2 216 . 2 . 2 61 61 TRP H H 1 7.749 . . 1 . . . . . 60 W HN . 51101 2 217 . 2 . 2 61 61 TRP C C 13 175.090 . . 1 . . . . . 60 W C . 51101 2 218 . 2 . 2 61 61 TRP CB C 13 26.043 . . 1 . . . . . 60 W CB . 51101 2 219 . 2 . 2 61 61 TRP N N 15 111.554 . . 1 . . . . . 60 W N . 51101 2 220 . 2 . 2 62 62 SER H H 1 8.122 . . 1 . . . . . 61 S HN . 51101 2 221 . 2 . 2 62 62 SER C C 13 173.060 . . 1 . . . . . 61 S C . 51101 2 222 . 2 . 2 62 62 SER CB C 13 62.620 . . 1 . . . . . 61 S CB . 51101 2 223 . 2 . 2 62 62 SER N N 15 116.976 . . 1 . . . . . 61 S N . 51101 2 224 . 2 . 2 63 63 PHE H H 1 8.343 . . 1 . . . . . 62 F HN . 51101 2 225 . 2 . 2 63 63 PHE C C 13 174.075 . . 1 . . . . . 62 F C . 51101 2 226 . 2 . 2 63 63 PHE CB C 13 40.649 . . 1 . . . . . 62 F CB . 51101 2 227 . 2 . 2 63 63 PHE N N 15 122.026 . . 1 . . . . . 62 F N . 51101 2 228 . 2 . 2 64 64 TYR H H 1 7.491 . . 1 . . . . . 63 Y HN . 51101 2 229 . 2 . 2 64 64 TYR C C 13 174.755 . . 1 . . . . . 63 Y C . 51101 2 230 . 2 . 2 64 64 TYR CB C 13 39.707 . . 1 . . . . . 63 Y CB . 51101 2 231 . 2 . 2 64 64 TYR N N 15 110.123 . . 1 . . . . . 63 Y N . 51101 2 232 . 2 . 2 66 66 LEU H H 1 8.603 . . 1 . . . . . 65 L HN . 51101 2 233 . 2 . 2 66 66 LEU CB C 13 45.233 . . 1 . . . . . 65 L CB . 51101 2 234 . 2 . 2 66 66 LEU N N 15 122.121 . . 1 . . . . . 65 L N . 51101 2 235 . 2 . 2 67 67 TYR C C 13 175.310 . . 1 . . . . . 66 Y C . 51101 2 236 . 2 . 2 67 67 TYR CB C 13 40.386 . . 1 . . . . . 66 Y CB . 51101 2 237 . 2 . 2 68 68 TYR H H 1 8.861 . . 1 . . . . . 67 Y HN . 51101 2 238 . 2 . 2 68 68 TYR C C 13 173.951 . . 1 . . . . . 67 Y C . 51101 2 239 . 2 . 2 68 68 TYR CB C 13 40.992 . . 1 . . . . . 67 Y CB . 51101 2 240 . 2 . 2 68 68 TYR N N 15 116.327 . . 1 . . . . . 67 Y N . 51101 2 241 . 2 . 2 69 69 THR H H 1 8.353 . . 1 . . . . . 68 T HN . 51101 2 242 . 2 . 2 69 69 THR C C 13 171.536 . . 1 . . . . . 68 T C . 51101 2 243 . 2 . 2 69 69 THR CB C 13 69.745 . . 1 . . . . . 68 T CB . 51101 2 244 . 2 . 2 69 69 THR N N 15 112.983 . . 1 . . . . . 68 T N . 51101 2 245 . 2 . 2 70 70 GLU H H 1 8.424 . . 1 . . . . . 69 E HN . 51101 2 246 . 2 . 2 70 70 GLU C C 13 175.717 . . 1 . . . . . 69 E C . 51101 2 247 . 2 . 2 70 70 GLU CB C 13 29.075 . . 1 . . . . . 69 E CB . 51101 2 248 . 2 . 2 70 70 GLU N N 15 129.447 . . 1 . . . . . 69 E N . 51101 2 249 . 2 . 2 71 71 PHE H H 1 8.562 . . 1 . . . . . 70 F HN . 51101 2 250 . 2 . 2 71 71 PHE C C 13 171.913 . . 1 . . . . . 70 F C . 51101 2 251 . 2 . 2 71 71 PHE CB C 13 40.193 . . 1 . . . . . 70 F CB . 51101 2 252 . 2 . 2 71 71 PHE N N 15 125.223 . . 1 . . . . . 70 F N . 51101 2 253 . 2 . 2 72 72 THR H H 1 8.191 . . 1 . . . . . 71 T HN . 51101 2 254 . 2 . 2 72 72 THR CB C 13 69.489 . . 1 . . . . . 71 T CB . 51101 2 255 . 2 . 2 72 72 THR N N 15 117.718 . . 1 . . . . . 71 T N . 51101 2 256 . 2 . 2 73 73 PRO C C 13 174.774 . . 1 . . . . . 72 P C . 51101 2 257 . 2 . 2 74 74 THR H H 1 7.982 . . 1 . . . . . 73 T HN . 51101 2 258 . 2 . 2 74 74 THR C C 13 175.214 . . 1 . . . . . 73 T C . 51101 2 259 . 2 . 2 74 74 THR CB C 13 72.708 . . 1 . . . . . 73 T CB . 51101 2 260 . 2 . 2 74 74 THR N N 15 110.450 . . 1 . . . . . 73 T N . 51101 2 261 . 2 . 2 75 75 GLU H H 1 9.004 . . 1 . . . . . 74 E HN . 51101 2 262 . 2 . 2 75 75 GLU C C 13 178.018 . . 1 . . . . . 74 E C . 51101 2 263 . 2 . 2 75 75 GLU CB C 13 28.992 . . 1 . . . . . 74 E CB . 51101 2 264 . 2 . 2 75 75 GLU N N 15 118.831 . . 1 . . . . . 74 E N . 51101 2 265 . 2 . 2 76 76 LYS H H 1 7.781 . . 1 . . . . . 75 K HN . 51101 2 266 . 2 . 2 76 76 LYS C C 13 176.975 . . 1 . . . . . 75 K C . 51101 2 267 . 2 . 2 76 76 LYS CB C 13 33.173 . . 1 . . . . . 75 K CB . 51101 2 268 . 2 . 2 76 76 LYS N N 15 113.951 . . 1 . . . . . 75 K N . 51101 2 269 . 2 . 2 77 77 ASP H H 1 7.133 . . 1 . . . . . 76 D HN . 51101 2 270 . 2 . 2 77 77 ASP C C 13 175.141 . . 1 . . . . . 76 D C . 51101 2 271 . 2 . 2 77 77 ASP CB C 13 42.507 . . 1 . . . . . 76 D CB . 51101 2 272 . 2 . 2 77 77 ASP N N 15 118.328 . . 1 . . . . . 76 D N . 51101 2 273 . 2 . 2 78 78 GLU H H 1 8.595 . . 1 . . . . . 77 E HN . 51101 2 274 . 2 . 2 78 78 GLU C C 13 174.956 . . 1 . . . . . 77 E C . 51101 2 275 . 2 . 2 78 78 GLU CB C 13 31.730 . . 1 . . . . . 77 E CB . 51101 2 276 . 2 . 2 78 78 GLU N N 15 123.513 . . 1 . . . . . 77 E N . 51101 2 277 . 2 . 2 79 79 TYR H H 1 9.431 . . 1 . . . . . 78 Y HN . 51101 2 278 . 2 . 2 79 79 TYR C C 13 175.411 . . 1 . . . . . 78 Y C . 51101 2 279 . 2 . 2 79 79 TYR CB C 13 41.979 . . 1 . . . . . 78 Y CB . 51101 2 280 . 2 . 2 79 79 TYR N N 15 124.118 . . 1 . . . . . 78 Y N . 51101 2 281 . 2 . 2 80 80 ALA H H 1 8.766 . . 1 . . . . . 79 A HN . 51101 2 282 . 2 . 2 80 80 ALA C C 13 173.734 . . 1 . . . . . 79 A C . 51101 2 283 . 2 . 2 80 80 ALA CB C 13 22.915 . . 1 . . . . . 79 A CB . 51101 2 284 . 2 . 2 80 80 ALA N N 15 121.490 . . 1 . . . . . 79 A N . 51101 2 285 . 2 . 2 81 81 CYS H H 1 9.061 . . 1 . . . . . 80 C HN . 51101 2 286 . 2 . 2 81 81 CYS C C 13 171.212 . . 1 . . . . . 80 C C . 51101 2 287 . 2 . 2 81 81 CYS N N 15 120.092 . . 1 . . . . . 80 C N . 51101 2 288 . 2 . 2 82 82 ARG H H 1 9.346 . . 1 . . . . . 81 R HN . 51101 2 289 . 2 . 2 82 82 ARG C C 13 174.072 . . 1 . . . . . 81 R C . 51101 2 290 . 2 . 2 82 82 ARG CB C 13 32.717 . . 1 . . . . . 81 R CB . 51101 2 291 . 2 . 2 82 82 ARG N N 15 128.874 . . 1 . . . . . 81 R N . 51101 2 292 . 2 . 2 83 83 VAL H H 1 9.078 . . 1 . . . . . 82 V HN . 51101 2 293 . 2 . 2 83 83 VAL C C 13 173.461 . . 1 . . . . . 82 V C . 51101 2 294 . 2 . 2 83 83 VAL CB C 13 34.730 . . 1 . . . . . 82 V CB . 51101 2 295 . 2 . 2 83 83 VAL N N 15 128.530 . . 1 . . . . . 82 V N . 51101 2 296 . 2 . 2 84 84 ASN H H 1 9.039 . . 1 . . . . . 83 N HN . 51101 2 297 . 2 . 2 84 84 ASN C C 13 172.821 . . 1 . . . . . 83 N C . 51101 2 298 . 2 . 2 84 84 ASN CB C 13 40.911 . . 1 . . . . . 83 N CB . 51101 2 299 . 2 . 2 84 84 ASN N N 15 123.655 . . 1 . . . . . 83 N N . 51101 2 300 . 2 . 2 85 85 HIS H H 1 7.705 . . 1 . . . . . 84 H HN . 51101 2 301 . 2 . 2 85 85 HIS C C 13 175.241 . . 1 . . . . . 84 H C . 51101 2 302 . 2 . 2 85 85 HIS CB C 13 35.301 . . 1 . . . . . 84 H CB . 51101 2 303 . 2 . 2 85 85 HIS N N 15 122.911 . . 1 . . . . . 84 H N . 51101 2 304 . 2 . 2 86 86 VAL H H 1 8.033 . . 1 . . . . . 85 V HN . 51101 2 305 . 2 . 2 86 86 VAL C C 13 175.323 . . 1 . . . . . 85 V C . 51101 2 306 . 2 . 2 86 86 VAL CB C 13 30.149 . . 1 . . . . . 85 V CB . 51101 2 307 . 2 . 2 86 86 VAL N N 15 125.695 . . 1 . . . . . 85 V N . 51101 2 308 . 2 . 2 87 87 THR H H 1 7.398 . . 1 . . . . . 86 T HN . 51101 2 309 . 2 . 2 87 87 THR C C 13 174.676 . . 1 . . . . . 86 T C . 51101 2 310 . 2 . 2 87 87 THR CB C 13 69.350 . . 1 . . . . . 86 T CB . 51101 2 311 . 2 . 2 87 87 THR N N 15 110.771 . . 1 . . . . . 86 T N . 51101 2 312 . 2 . 2 88 88 LEU H H 1 7.990 . . 1 . . . . . 87 L HN . 51101 2 313 . 2 . 2 88 88 LEU CB C 13 41.665 . . 1 . . . . . 87 L CB . 51101 2 314 . 2 . 2 88 88 LEU N N 15 123.685 . . 1 . . . . . 87 L N . 51101 2 315 . 2 . 2 89 89 SER C C 13 174.217 . . 1 . . . . . 88 S C . 51101 2 316 . 2 . 2 89 89 SER CB C 13 62.375 . . 1 . . . . . 88 S CB . 51101 2 317 . 2 . 2 90 90 GLN H H 1 7.460 . . 1 . . . . . 89 Q HN . 51101 2 318 . 2 . 2 90 90 GLN CB C 13 29.009 . . 1 . . . . . 89 Q CB . 51101 2 319 . 2 . 2 90 90 GLN N N 15 117.605 . . 1 . . . . . 89 Q N . 51101 2 320 . 2 . 2 91 91 PRO C C 13 175.913 . . 1 . . . . . 90 P C . 51101 2 321 . 2 . 2 92 92 LYS H H 1 8.786 . . 1 . . . . . 91 K HN . 51101 2 322 . 2 . 2 92 92 LYS C C 13 174.709 . . 1 . . . . . 91 K C . 51101 2 323 . 2 . 2 92 92 LYS CB C 13 34.112 . . 1 . . . . . 91 K CB . 51101 2 324 . 2 . 2 92 92 LYS N N 15 125.743 . . 1 . . . . . 91 K N . 51101 2 325 . 2 . 2 93 93 ILE H H 1 8.524 . . 1 . . . . . 92 I HN . 51101 2 326 . 2 . 2 93 93 ILE C C 13 175.819 . . 1 . . . . . 92 I C . 51101 2 327 . 2 . 2 93 93 ILE CB C 13 37.961 . . 1 . . . . . 92 I CB . 51101 2 328 . 2 . 2 93 93 ILE N N 15 125.570 . . 1 . . . . . 92 I N . 51101 2 329 . 2 . 2 94 94 VAL H H 1 9.005 . . 1 . . . . . 93 V HN . 51101 2 330 . 2 . 2 94 94 VAL C C 13 175.301 . . 1 . . . . . 93 V C . 51101 2 331 . 2 . 2 94 94 VAL CB C 13 32.939 . . 1 . . . . . 93 V CB . 51101 2 332 . 2 . 2 94 94 VAL N N 15 130.021 . . 1 . . . . . 93 V N . 51101 2 333 . 2 . 2 95 95 LYS H H 1 8.845 . . 1 . . . . . 94 K HN . 51101 2 334 . 2 . 2 95 95 LYS C C 13 176.405 . . 1 . . . . . 94 K C . 51101 2 335 . 2 . 2 95 95 LYS CB C 13 32.524 . . 1 . . . . . 94 K CB . 51101 2 336 . 2 . 2 95 95 LYS N N 15 128.234 . . 1 . . . . . 94 K N . 51101 2 337 . 2 . 2 96 96 TRP H H 1 8.982 . . 1 . . . . . 95 W HN . 51101 2 338 . 2 . 2 96 96 TRP C C 13 173.895 . . 1 . . . . . 95 W C . 51101 2 339 . 2 . 2 96 96 TRP CB C 13 27.523 . . 1 . . . . . 95 W CB . 51101 2 340 . 2 . 2 96 96 TRP N N 15 123.212 . . 1 . . . . . 95 W N . 51101 2 341 . 2 . 2 97 97 ASP H H 1 8.460 . . 1 . . . . . 96 D HN . 51101 2 342 . 2 . 2 97 97 ASP C C 13 175.844 . . 1 . . . . . 96 D C . 51101 2 343 . 2 . 2 97 97 ASP CB C 13 42.569 . . 1 . . . . . 96 D CB . 51101 2 344 . 2 . 2 97 97 ASP N N 15 132.643 . . 1 . . . . . 96 D N . 51101 2 345 . 2 . 2 98 98 ARG H H 1 7.675 . . 1 . . . . . 97 R HN . 51101 2 346 . 2 . 2 98 98 ARG C C 13 175.917 . . 1 . . . . . 97 R C . 51101 2 347 . 2 . 2 98 98 ARG CB C 13 29.041 . . 1 . . . . . 97 R CB . 51101 2 348 . 2 . 2 98 98 ARG N N 15 122.966 . . 1 . . . . . 97 R N . 51101 2 349 . 2 . 2 99 99 ASP H H 1 8.525 . . 1 . . . . . 98 D HN . 51101 2 350 . 2 . 2 99 99 ASP C C 13 173.886 . . 1 . . . . . 98 D C . 51101 2 351 . 2 . 2 99 99 ASP CB C 13 41.106 . . 1 . . . . . 98 D CB . 51101 2 352 . 2 . 2 99 99 ASP N N 15 120.748 . . 1 . . . . . 98 D N . 51101 2 353 . 2 . 2 100 100 MET H H 1 7.676 . . 1 . . . . . 99 M HN . 51101 2 354 . 2 . 2 100 100 MET CB C 13 35.838 . . 1 . . . . . 99 M CB . 51101 2 355 . 2 . 2 100 100 MET N N 15 122.445 . . 1 . . . . . 99 M N . 51101 2 stop_ save_