data_51781 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51781 _Entry.Title ; Backbone assignments of the heavy and light chains from the disulfide mutant HLA-A*02:01-G121C/b2m-H32C/ELAGIGILTV(MART-1) human MHC-I protein complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-10 _Entry.Accession_date 2023-01-10 _Entry.Last_release_date 2023-01-10 _Entry.Original_release_date 2023-01-10 _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 Claire Woodward . H. . 0000-0002-0373-6318 51781 2 Nikolaos Sgourakis . G. . 0000-0003-3655-3902 51781 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 51781 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 821 51781 '15N chemical shifts' 280 51781 '1H chemical shifts' 280 51781 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 . 51781 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51781 _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. . . . 51781 1 2 Michael Young M. C. . . 51781 1 3 Claire Woodward C. H. . . 51781 1 4 Julia Danon J. N. . . 51781 1 5 Hau Truong H. V. . . 51781 1 6 Sagar Gupta S. . . . 51781 1 7 Trenton Winters T. J. . . 51781 1 8 Joan Font-Burgada J. . . . 51781 1 9 George Burslem G. M. . . 51781 1 10 Nikolaos Sgourakis N. G. . . 51781 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51781 _Assembly.ID 1 _Assembly.Name 'HLA-A*02:01-G121C/Beta-2 microglobulin-H32C/MART1 peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _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 44860.10 _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-G121C 1 $entity_1 . . yes native no no . 'heavy chain' . 51781 1 2 'Beta-2 microglobulin-H32C' 2 $entity_2 . . yes native no no . 'light chain' . 51781 1 3 MART1 3 $entity_3 . . no native no no . peptide . 51781 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 121 121 SG . 2 . 2 CYS 32 32 SG . . . . . . . . . . . . 51781 1 2 disulfide single . 1 . 1 CYS 102 102 SG . 1 . 1 CYS 165 165 SG . . . . . . . . . . . . 51781 1 3 disulfide single . 1 . 1 CYS 204 204 SG . 1 . 1 CYS 260 260 SG . . . . . . . . . . . . 51781 1 4 disulfide single . 2 . 2 CYS 26 26 SG . 2 . 2 CYS 81 81 SG . . . . . . . . . . . . 51781 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51781 _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 CKDYIALKEDLRSWTAADMA 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 G121C _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 . MET . 51781 1 2 . GLY . 51781 1 3 . SER . 51781 1 4 . HIS . 51781 1 5 . SER . 51781 1 6 . MET . 51781 1 7 . ARG . 51781 1 8 . TYR . 51781 1 9 . PHE . 51781 1 10 . PHE . 51781 1 11 . THR . 51781 1 12 . SER . 51781 1 13 . VAL . 51781 1 14 . SER . 51781 1 15 . ARG . 51781 1 16 . PRO . 51781 1 17 . GLY . 51781 1 18 . ARG . 51781 1 19 . GLY . 51781 1 20 . GLU . 51781 1 21 . PRO . 51781 1 22 . ARG . 51781 1 23 . PHE . 51781 1 24 . ILE . 51781 1 25 . ALA . 51781 1 26 . VAL . 51781 1 27 . GLY . 51781 1 28 . TYR . 51781 1 29 . VAL . 51781 1 30 . ASP . 51781 1 31 . ASP . 51781 1 32 . THR . 51781 1 33 . GLN . 51781 1 34 . PHE . 51781 1 35 . VAL . 51781 1 36 . ARG . 51781 1 37 . PHE . 51781 1 38 . ASP . 51781 1 39 . SER . 51781 1 40 . ASP . 51781 1 41 . ALA . 51781 1 42 . ALA . 51781 1 43 . SER . 51781 1 44 . GLN . 51781 1 45 . ARG . 51781 1 46 . MET . 51781 1 47 . GLU . 51781 1 48 . PRO . 51781 1 49 . ARG . 51781 1 50 . ALA . 51781 1 51 . PRO . 51781 1 52 . TRP . 51781 1 53 . ILE . 51781 1 54 . GLU . 51781 1 55 . GLN . 51781 1 56 . GLU . 51781 1 57 . GLY . 51781 1 58 . PRO . 51781 1 59 . GLU . 51781 1 60 . TYR . 51781 1 61 . TRP . 51781 1 62 . ASP . 51781 1 63 . GLY . 51781 1 64 . GLU . 51781 1 65 . THR . 51781 1 66 . ARG . 51781 1 67 . LYS . 51781 1 68 . VAL . 51781 1 69 . LYS . 51781 1 70 . ALA . 51781 1 71 . HIS . 51781 1 72 . SER . 51781 1 73 . GLN . 51781 1 74 . THR . 51781 1 75 . HIS . 51781 1 76 . ARG . 51781 1 77 . VAL . 51781 1 78 . ASP . 51781 1 79 . LEU . 51781 1 80 . GLY . 51781 1 81 . THR . 51781 1 82 . LEU . 51781 1 83 . ARG . 51781 1 84 . GLY . 51781 1 85 . TYR . 51781 1 86 . TYR . 51781 1 87 . ASN . 51781 1 88 . GLN . 51781 1 89 . SER . 51781 1 90 . GLU . 51781 1 91 . ALA . 51781 1 92 . GLY . 51781 1 93 . SER . 51781 1 94 . HIS . 51781 1 95 . THR . 51781 1 96 . VAL . 51781 1 97 . GLN . 51781 1 98 . ARG . 51781 1 99 . MET . 51781 1 100 . TYR . 51781 1 101 . GLY . 51781 1 102 . CYS . 51781 1 103 . ASP . 51781 1 104 . VAL . 51781 1 105 . GLY . 51781 1 106 . SER . 51781 1 107 . ASP . 51781 1 108 . TRP . 51781 1 109 . ARG . 51781 1 110 . PHE . 51781 1 111 . LEU . 51781 1 112 . ARG . 51781 1 113 . GLY . 51781 1 114 . TYR . 51781 1 115 . HIS . 51781 1 116 . GLN . 51781 1 117 . TYR . 51781 1 118 . ALA . 51781 1 119 . TYR . 51781 1 120 . ASP . 51781 1 121 . CYS . 51781 1 122 . LYS . 51781 1 123 . ASP . 51781 1 124 . TYR . 51781 1 125 . ILE . 51781 1 126 . ALA . 51781 1 127 . LEU . 51781 1 128 . LYS . 51781 1 129 . GLU . 51781 1 130 . ASP . 51781 1 131 . LEU . 51781 1 132 . ARG . 51781 1 133 . SER . 51781 1 134 . TRP . 51781 1 135 . THR . 51781 1 136 . ALA . 51781 1 137 . ALA . 51781 1 138 . ASP . 51781 1 139 . MET . 51781 1 140 . ALA . 51781 1 141 . ALA . 51781 1 142 . GLN . 51781 1 143 . THR . 51781 1 144 . THR . 51781 1 145 . LYS . 51781 1 146 . HIS . 51781 1 147 . LYS . 51781 1 148 . TRP . 51781 1 149 . GLU . 51781 1 150 . ALA . 51781 1 151 . ALA . 51781 1 152 . HIS . 51781 1 153 . VAL . 51781 1 154 . ALA . 51781 1 155 . GLU . 51781 1 156 . GLN . 51781 1 157 . LEU . 51781 1 158 . ARG . 51781 1 159 . ALA . 51781 1 160 . TYR . 51781 1 161 . LEU . 51781 1 162 . GLU . 51781 1 163 . GLY . 51781 1 164 . THR . 51781 1 165 . CYS . 51781 1 166 . VAL . 51781 1 167 . GLU . 51781 1 168 . TRP . 51781 1 169 . LEU . 51781 1 170 . ARG . 51781 1 171 . ARG . 51781 1 172 . TYR . 51781 1 173 . LEU . 51781 1 174 . GLU . 51781 1 175 . ASN . 51781 1 176 . GLY . 51781 1 177 . LYS . 51781 1 178 . GLU . 51781 1 179 . THR . 51781 1 180 . LEU . 51781 1 181 . GLN . 51781 1 182 . ARG . 51781 1 183 . THR . 51781 1 184 . ASP . 51781 1 185 . ALA . 51781 1 186 . PRO . 51781 1 187 . LYS . 51781 1 188 . THR . 51781 1 189 . HIS . 51781 1 190 . MET . 51781 1 191 . THR . 51781 1 192 . HIS . 51781 1 193 . HIS . 51781 1 194 . ALA . 51781 1 195 . VAL . 51781 1 196 . SER . 51781 1 197 . ASP . 51781 1 198 . HIS . 51781 1 199 . GLU . 51781 1 200 . ALA . 51781 1 201 . THR . 51781 1 202 . LEU . 51781 1 203 . ARG . 51781 1 204 . CYS . 51781 1 205 . TRP . 51781 1 206 . ALA . 51781 1 207 . LEU . 51781 1 208 . SER . 51781 1 209 . PHE . 51781 1 210 . TYR . 51781 1 211 . PRO . 51781 1 212 . ALA . 51781 1 213 . GLU . 51781 1 214 . ILE . 51781 1 215 . THR . 51781 1 216 . LEU . 51781 1 217 . THR . 51781 1 218 . TRP . 51781 1 219 . GLN . 51781 1 220 . ARG . 51781 1 221 . ASP . 51781 1 222 . GLY . 51781 1 223 . GLU . 51781 1 224 . ASP . 51781 1 225 . GLN . 51781 1 226 . THR . 51781 1 227 . GLN . 51781 1 228 . ASP . 51781 1 229 . THR . 51781 1 230 . GLU . 51781 1 231 . LEU . 51781 1 232 . VAL . 51781 1 233 . GLU . 51781 1 234 . THR . 51781 1 235 . ARG . 51781 1 236 . PRO . 51781 1 237 . ALA . 51781 1 238 . GLY . 51781 1 239 . ASP . 51781 1 240 . GLY . 51781 1 241 . THR . 51781 1 242 . PHE . 51781 1 243 . GLN . 51781 1 244 . LYS . 51781 1 245 . TRP . 51781 1 246 . ALA . 51781 1 247 . ALA . 51781 1 248 . VAL . 51781 1 249 . VAL . 51781 1 250 . VAL . 51781 1 251 . PRO . 51781 1 252 . SER . 51781 1 253 . GLY . 51781 1 254 . GLN . 51781 1 255 . GLU . 51781 1 256 . GLN . 51781 1 257 . ARG . 51781 1 258 . TYR . 51781 1 259 . THR . 51781 1 260 . CYS . 51781 1 261 . HIS . 51781 1 262 . VAL . 51781 1 263 . GLN . 51781 1 264 . HIS . 51781 1 265 . GLU . 51781 1 266 . GLY . 51781 1 267 . LEU . 51781 1 268 . PRO . 51781 1 269 . LYS . 51781 1 270 . PRO . 51781 1 271 . LEU . 51781 1 272 . THR . 51781 1 273 . LEU . 51781 1 274 . ARG . 51781 1 275 . TRP . 51781 1 276 . GLU . 51781 1 277 . PRO . 51781 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 51781 1 . GLY 2 2 51781 1 . SER 3 3 51781 1 . HIS 4 4 51781 1 . SER 5 5 51781 1 . MET 6 6 51781 1 . ARG 7 7 51781 1 . TYR 8 8 51781 1 . PHE 9 9 51781 1 . PHE 10 10 51781 1 . THR 11 11 51781 1 . SER 12 12 51781 1 . VAL 13 13 51781 1 . SER 14 14 51781 1 . ARG 15 15 51781 1 . PRO 16 16 51781 1 . GLY 17 17 51781 1 . ARG 18 18 51781 1 . GLY 19 19 51781 1 . GLU 20 20 51781 1 . PRO 21 21 51781 1 . ARG 22 22 51781 1 . PHE 23 23 51781 1 . ILE 24 24 51781 1 . ALA 25 25 51781 1 . VAL 26 26 51781 1 . GLY 27 27 51781 1 . TYR 28 28 51781 1 . VAL 29 29 51781 1 . ASP 30 30 51781 1 . ASP 31 31 51781 1 . THR 32 32 51781 1 . GLN 33 33 51781 1 . PHE 34 34 51781 1 . VAL 35 35 51781 1 . ARG 36 36 51781 1 . PHE 37 37 51781 1 . ASP 38 38 51781 1 . SER 39 39 51781 1 . ASP 40 40 51781 1 . ALA 41 41 51781 1 . ALA 42 42 51781 1 . SER 43 43 51781 1 . GLN 44 44 51781 1 . ARG 45 45 51781 1 . MET 46 46 51781 1 . GLU 47 47 51781 1 . PRO 48 48 51781 1 . ARG 49 49 51781 1 . ALA 50 50 51781 1 . PRO 51 51 51781 1 . TRP 52 52 51781 1 . ILE 53 53 51781 1 . GLU 54 54 51781 1 . GLN 55 55 51781 1 . GLU 56 56 51781 1 . GLY 57 57 51781 1 . PRO 58 58 51781 1 . GLU 59 59 51781 1 . TYR 60 60 51781 1 . TRP 61 61 51781 1 . ASP 62 62 51781 1 . GLY 63 63 51781 1 . GLU 64 64 51781 1 . THR 65 65 51781 1 . ARG 66 66 51781 1 . LYS 67 67 51781 1 . VAL 68 68 51781 1 . LYS 69 69 51781 1 . ALA 70 70 51781 1 . HIS 71 71 51781 1 . SER 72 72 51781 1 . GLN 73 73 51781 1 . THR 74 74 51781 1 . HIS 75 75 51781 1 . ARG 76 76 51781 1 . VAL 77 77 51781 1 . ASP 78 78 51781 1 . LEU 79 79 51781 1 . GLY 80 80 51781 1 . THR 81 81 51781 1 . LEU 82 82 51781 1 . ARG 83 83 51781 1 . GLY 84 84 51781 1 . TYR 85 85 51781 1 . TYR 86 86 51781 1 . ASN 87 87 51781 1 . GLN 88 88 51781 1 . SER 89 89 51781 1 . GLU 90 90 51781 1 . ALA 91 91 51781 1 . GLY 92 92 51781 1 . SER 93 93 51781 1 . HIS 94 94 51781 1 . THR 95 95 51781 1 . VAL 96 96 51781 1 . GLN 97 97 51781 1 . ARG 98 98 51781 1 . MET 99 99 51781 1 . TYR 100 100 51781 1 . GLY 101 101 51781 1 . CYS 102 102 51781 1 . ASP 103 103 51781 1 . VAL 104 104 51781 1 . GLY 105 105 51781 1 . SER 106 106 51781 1 . ASP 107 107 51781 1 . TRP 108 108 51781 1 . ARG 109 109 51781 1 . PHE 110 110 51781 1 . LEU 111 111 51781 1 . ARG 112 112 51781 1 . GLY 113 113 51781 1 . TYR 114 114 51781 1 . HIS 115 115 51781 1 . GLN 116 116 51781 1 . TYR 117 117 51781 1 . ALA 118 118 51781 1 . TYR 119 119 51781 1 . ASP 120 120 51781 1 . CYS 121 121 51781 1 . LYS 122 122 51781 1 . ASP 123 123 51781 1 . TYR 124 124 51781 1 . ILE 125 125 51781 1 . ALA 126 126 51781 1 . LEU 127 127 51781 1 . LYS 128 128 51781 1 . GLU 129 129 51781 1 . ASP 130 130 51781 1 . LEU 131 131 51781 1 . ARG 132 132 51781 1 . SER 133 133 51781 1 . TRP 134 134 51781 1 . THR 135 135 51781 1 . ALA 136 136 51781 1 . ALA 137 137 51781 1 . ASP 138 138 51781 1 . MET 139 139 51781 1 . ALA 140 140 51781 1 . ALA 141 141 51781 1 . GLN 142 142 51781 1 . THR 143 143 51781 1 . THR 144 144 51781 1 . LYS 145 145 51781 1 . HIS 146 146 51781 1 . LYS 147 147 51781 1 . TRP 148 148 51781 1 . GLU 149 149 51781 1 . ALA 150 150 51781 1 . ALA 151 151 51781 1 . HIS 152 152 51781 1 . VAL 153 153 51781 1 . ALA 154 154 51781 1 . GLU 155 155 51781 1 . GLN 156 156 51781 1 . LEU 157 157 51781 1 . ARG 158 158 51781 1 . ALA 159 159 51781 1 . TYR 160 160 51781 1 . LEU 161 161 51781 1 . GLU 162 162 51781 1 . GLY 163 163 51781 1 . THR 164 164 51781 1 . CYS 165 165 51781 1 . VAL 166 166 51781 1 . GLU 167 167 51781 1 . TRP 168 168 51781 1 . LEU 169 169 51781 1 . ARG 170 170 51781 1 . ARG 171 171 51781 1 . TYR 172 172 51781 1 . LEU 173 173 51781 1 . GLU 174 174 51781 1 . ASN 175 175 51781 1 . GLY 176 176 51781 1 . LYS 177 177 51781 1 . GLU 178 178 51781 1 . THR 179 179 51781 1 . LEU 180 180 51781 1 . GLN 181 181 51781 1 . ARG 182 182 51781 1 . THR 183 183 51781 1 . ASP 184 184 51781 1 . ALA 185 185 51781 1 . PRO 186 186 51781 1 . LYS 187 187 51781 1 . THR 188 188 51781 1 . HIS 189 189 51781 1 . MET 190 190 51781 1 . THR 191 191 51781 1 . HIS 192 192 51781 1 . HIS 193 193 51781 1 . ALA 194 194 51781 1 . VAL 195 195 51781 1 . SER 196 196 51781 1 . ASP 197 197 51781 1 . HIS 198 198 51781 1 . GLU 199 199 51781 1 . ALA 200 200 51781 1 . THR 201 201 51781 1 . LEU 202 202 51781 1 . ARG 203 203 51781 1 . CYS 204 204 51781 1 . TRP 205 205 51781 1 . ALA 206 206 51781 1 . LEU 207 207 51781 1 . SER 208 208 51781 1 . PHE 209 209 51781 1 . TYR 210 210 51781 1 . PRO 211 211 51781 1 . ALA 212 212 51781 1 . GLU 213 213 51781 1 . ILE 214 214 51781 1 . THR 215 215 51781 1 . LEU 216 216 51781 1 . THR 217 217 51781 1 . TRP 218 218 51781 1 . GLN 219 219 51781 1 . ARG 220 220 51781 1 . ASP 221 221 51781 1 . GLY 222 222 51781 1 . GLU 223 223 51781 1 . ASP 224 224 51781 1 . GLN 225 225 51781 1 . THR 226 226 51781 1 . GLN 227 227 51781 1 . ASP 228 228 51781 1 . THR 229 229 51781 1 . GLU 230 230 51781 1 . LEU 231 231 51781 1 . VAL 232 232 51781 1 . GLU 233 233 51781 1 . THR 234 234 51781 1 . ARG 235 235 51781 1 . PRO 236 236 51781 1 . ALA 237 237 51781 1 . GLY 238 238 51781 1 . ASP 239 239 51781 1 . GLY 240 240 51781 1 . THR 241 241 51781 1 . PHE 242 242 51781 1 . GLN 243 243 51781 1 . LYS 244 244 51781 1 . TRP 245 245 51781 1 . ALA 246 246 51781 1 . ALA 247 247 51781 1 . VAL 248 248 51781 1 . VAL 249 249 51781 1 . VAL 250 250 51781 1 . PRO 251 251 51781 1 . SER 252 252 51781 1 . GLY 253 253 51781 1 . GLN 254 254 51781 1 . GLU 255 255 51781 1 . GLN 256 256 51781 1 . ARG 257 257 51781 1 . TYR 258 258 51781 1 . THR 259 259 51781 1 . CYS 260 260 51781 1 . HIS 261 261 51781 1 . VAL 262 262 51781 1 . GLN 263 263 51781 1 . HIS 264 264 51781 1 . GLU 265 265 51781 1 . GLY 266 266 51781 1 . LEU 267 267 51781 1 . PRO 268 268 51781 1 . LYS 269 269 51781 1 . PRO 270 270 51781 1 . LEU 271 271 51781 1 . THR 272 272 51781 1 . LEU 273 273 51781 1 . ARG 274 274 51781 1 . TRP 275 275 51781 1 . GLU 276 276 51781 1 . PRO 277 277 51781 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51781 _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 SNFLNCYVSGFCPSDIEVDL 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 H32C _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 . MET . 51781 2 2 . ILE . 51781 2 3 . GLN . 51781 2 4 . ARG . 51781 2 5 . THR . 51781 2 6 . PRO . 51781 2 7 . LYS . 51781 2 8 . ILE . 51781 2 9 . GLN . 51781 2 10 . VAL . 51781 2 11 . TYR . 51781 2 12 . SER . 51781 2 13 . ARG . 51781 2 14 . HIS . 51781 2 15 . PRO . 51781 2 16 . ALA . 51781 2 17 . GLU . 51781 2 18 . ASN . 51781 2 19 . GLY . 51781 2 20 . LYS . 51781 2 21 . SER . 51781 2 22 . ASN . 51781 2 23 . PHE . 51781 2 24 . LEU . 51781 2 25 . ASN . 51781 2 26 . CYS . 51781 2 27 . TYR . 51781 2 28 . VAL . 51781 2 29 . SER . 51781 2 30 . GLY . 51781 2 31 . PHE . 51781 2 32 . CYS . 51781 2 33 . PRO . 51781 2 34 . SER . 51781 2 35 . ASP . 51781 2 36 . ILE . 51781 2 37 . GLU . 51781 2 38 . VAL . 51781 2 39 . ASP . 51781 2 40 . LEU . 51781 2 41 . LEU . 51781 2 42 . LYS . 51781 2 43 . ASN . 51781 2 44 . GLY . 51781 2 45 . GLU . 51781 2 46 . ARG . 51781 2 47 . ILE . 51781 2 48 . GLU . 51781 2 49 . LYS . 51781 2 50 . VAL . 51781 2 51 . GLU . 51781 2 52 . HIS . 51781 2 53 . SER . 51781 2 54 . ASP . 51781 2 55 . LEU . 51781 2 56 . SER . 51781 2 57 . PHE . 51781 2 58 . SER . 51781 2 59 . LYS . 51781 2 60 . ASP . 51781 2 61 . TRP . 51781 2 62 . SER . 51781 2 63 . PHE . 51781 2 64 . TYR . 51781 2 65 . LEU . 51781 2 66 . LEU . 51781 2 67 . TYR . 51781 2 68 . TYR . 51781 2 69 . THR . 51781 2 70 . GLU . 51781 2 71 . PHE . 51781 2 72 . THR . 51781 2 73 . PRO . 51781 2 74 . THR . 51781 2 75 . GLU . 51781 2 76 . LYS . 51781 2 77 . ASP . 51781 2 78 . GLU . 51781 2 79 . TYR . 51781 2 80 . ALA . 51781 2 81 . CYS . 51781 2 82 . ARG . 51781 2 83 . VAL . 51781 2 84 . ASN . 51781 2 85 . HIS . 51781 2 86 . VAL . 51781 2 87 . THR . 51781 2 88 . LEU . 51781 2 89 . SER . 51781 2 90 . GLN . 51781 2 91 . PRO . 51781 2 92 . LYS . 51781 2 93 . ILE . 51781 2 94 . VAL . 51781 2 95 . LYS . 51781 2 96 . TRP . 51781 2 97 . ASP . 51781 2 98 . ARG . 51781 2 99 . ASP . 51781 2 100 . MET . 51781 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 51781 2 . ILE 2 2 51781 2 . GLN 3 3 51781 2 . ARG 4 4 51781 2 . THR 5 5 51781 2 . PRO 6 6 51781 2 . LYS 7 7 51781 2 . ILE 8 8 51781 2 . GLN 9 9 51781 2 . VAL 10 10 51781 2 . TYR 11 11 51781 2 . SER 12 12 51781 2 . ARG 13 13 51781 2 . HIS 14 14 51781 2 . PRO 15 15 51781 2 . ALA 16 16 51781 2 . GLU 17 17 51781 2 . ASN 18 18 51781 2 . GLY 19 19 51781 2 . LYS 20 20 51781 2 . SER 21 21 51781 2 . ASN 22 22 51781 2 . PHE 23 23 51781 2 . LEU 24 24 51781 2 . ASN 25 25 51781 2 . CYS 26 26 51781 2 . TYR 27 27 51781 2 . VAL 28 28 51781 2 . SER 29 29 51781 2 . GLY 30 30 51781 2 . PHE 31 31 51781 2 . CYS 32 32 51781 2 . PRO 33 33 51781 2 . SER 34 34 51781 2 . ASP 35 35 51781 2 . ILE 36 36 51781 2 . GLU 37 37 51781 2 . VAL 38 38 51781 2 . ASP 39 39 51781 2 . LEU 40 40 51781 2 . LEU 41 41 51781 2 . LYS 42 42 51781 2 . ASN 43 43 51781 2 . GLY 44 44 51781 2 . GLU 45 45 51781 2 . ARG 46 46 51781 2 . ILE 47 47 51781 2 . GLU 48 48 51781 2 . LYS 49 49 51781 2 . VAL 50 50 51781 2 . GLU 51 51 51781 2 . HIS 52 52 51781 2 . SER 53 53 51781 2 . ASP 54 54 51781 2 . LEU 55 55 51781 2 . SER 56 56 51781 2 . PHE 57 57 51781 2 . SER 58 58 51781 2 . LYS 59 59 51781 2 . ASP 60 60 51781 2 . TRP 61 61 51781 2 . SER 62 62 51781 2 . PHE 63 63 51781 2 . TYR 64 64 51781 2 . LEU 65 65 51781 2 . LEU 66 66 51781 2 . TYR 67 67 51781 2 . TYR 68 68 51781 2 . THR 69 69 51781 2 . GLU 70 70 51781 2 . PHE 71 71 51781 2 . THR 72 72 51781 2 . PRO 73 73 51781 2 . THR 74 74 51781 2 . GLU 75 75 51781 2 . LYS 76 76 51781 2 . ASP 77 77 51781 2 . GLU 78 78 51781 2 . TYR 79 79 51781 2 . ALA 80 80 51781 2 . CYS 81 81 51781 2 . ARG 82 82 51781 2 . VAL 83 83 51781 2 . ASN 84 84 51781 2 . HIS 85 85 51781 2 . VAL 86 86 51781 2 . THR 87 87 51781 2 . LEU 88 88 51781 2 . SER 89 89 51781 2 . GLN 90 90 51781 2 . PRO 91 91 51781 2 . LYS 92 92 51781 2 . ILE 93 93 51781 2 . VAL 94 94 51781 2 . LYS 95 95 51781 2 . TRP 96 96 51781 2 . ASP 97 97 51781 2 . ARG 98 98 51781 2 . ASP 99 99 51781 2 . MET 100 100 51781 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 51781 _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 present' _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 . 51781 3 2 . LEU . 51781 3 3 . ALA . 51781 3 4 . GLY . 51781 3 5 . ILE . 51781 3 6 . GLY . 51781 3 7 . ILE . 51781 3 8 . LEU . 51781 3 9 . THR . 51781 3 10 . VAL . 51781 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 51781 3 . LEU 2 2 51781 3 . ALA 3 3 51781 3 . GLY 4 4 51781 3 . ILE 5 5 51781 3 . GLY 6 6 51781 3 . ILE 7 7 51781 3 . LEU 8 8 51781 3 . THR 9 9 51781 3 . VAL 10 10 51781 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 51781 _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 . G121C . . . . . . . . . . . 51781 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . H32C . . . . . . . . . . . 51781 1 3 3 $entity_3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51781 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 51781 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . plasmid . . pET-15b . . . 51781 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . plasmid . . pET-15b . . . 51781 1 3 3 $entity_3 . 'chemical synthesis' . . . . . . . . . plasmid . . . . . . 51781 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51781 _Sample.ID 1 _Sample.Name ds-A*02:01(CND)/b2m/MART1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HLA-A*02:01-G121C '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 212.5 150 275 uM . . . . 51781 1 2 'Beta-2 microglobulin-H32C' 'natural abundance' . . 2 $entity_2 . . . . . . . . . . 51781 1 3 'MART1 peptide' 'natural abundance' . . 3 $entity_3 . . . . . . . . . . 51781 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51781 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51781 1 6 'sodium azide' 'natural abundance' . . . . . . 0.001 . . M . . . . 51781 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51781 _Sample.ID 2 _Sample.Name ds-b2m(CND)/A*02:01/MART1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Beta-2 microglobulin-H32C' '[U-13C; U-15N; U-2H]' . . 2 $entity_2 . . 92.5 35 150 uM . . . . 51781 2 2 HLA-A*02:01-G121C 'natural abundance' . . 1 $entity_1 . . . . . . . . . . 51781 2 3 'MART1 peptide' 'natural abundance' . . 3 $entity_3 . . . . . . . . . . 51781 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51781 2 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51781 2 6 'sodium azide' 'natural abundance' . . . . . . 0.001 . . M . . . . 51781 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 51781 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'standard MHC I protein conditions for NMR' _Sample_condition_list.Details '20mM sodium phosphate, pH 7.2; 150mM sodium chloride, 0.001M sodium azide' 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 51781 1 pH 7.2 . pH 51781 1 pressure 1 . atm 51781 1 temperature 298 . K 51781 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51781 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51781 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51781 _Software.ID 2 _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' . 51781 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51781 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'UPenn Biophysics Core NMR' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51781 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Johns Hopkins Biomolecular NMR Center NMR' _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 51781 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51781 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51781 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51781 1 4 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51781 1 5 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51781 1 6 '3D HNCA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51781 1 7 '3D HNCO' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51781 1 8 '3D HNCACB' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51781 1 9 '2D 1H-15N TROSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51781 1 10 '2D 1H-15N TROSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51781 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 51781 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Standard _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external direct 0.251449530 . . . . . 51781 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0000 . . . . . 51781 1 N 15 DSS 'methyl protons' . . . . ppm 0 external direct 0.101329118 . . . . . 51781 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 51781 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'heavy chain' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 51781 1 2 '3D HNCO' . . . 51781 1 3 '3D HNCACB' . . . 51781 1 4 '2D 1H-15N TROSY' . . . 51781 1 5 '2D 1H-15N TROSY' . . . 51781 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 2 $software_2 . . 51781 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 13 173.189 . . 1 . . . . . 3 S C . 51781 1 2 . 1 . 1 4 4 HIS H H 1 8.413 . . 1 . . . . . 4 H HN . 51781 1 3 . 1 . 1 4 4 HIS C C 13 173.602 . . 1 . . . . . 4 H C . 51781 1 4 . 1 . 1 4 4 HIS CA C 13 54.502 . . 1 . . . . . 4 H CA . 51781 1 5 . 1 . 1 4 4 HIS CB C 13 33.863 . . 1 . . . . . 4 H CB . 51781 1 6 . 1 . 1 4 4 HIS N N 15 115.704 . . 1 . . . . . 4 H N . 51781 1 7 . 1 . 1 5 5 SER H H 1 9.271 . . 1 . . . . . 5 S HN . 51781 1 8 . 1 . 1 5 5 SER C C 13 172.842 . . 1 . . . . . 5 S C . 51781 1 9 . 1 . 1 5 5 SER CA C 13 56.949 . . 1 . . . . . 5 S CA . 51781 1 10 . 1 . 1 5 5 SER CB C 13 66.954 . . 1 . . . . . 5 S CB . 51781 1 11 . 1 . 1 5 5 SER N N 15 115.569 . . 1 . . . . . 5 S N . 51781 1 12 . 1 . 1 6 6 MET H H 1 9.129 . . 1 . . . . . 6 M HN . 51781 1 13 . 1 . 1 6 6 MET C C 13 175.390 . . 1 . . . . . 6 M C . 51781 1 14 . 1 . 1 6 6 MET CA C 13 54.869 . . 1 . . . . . 6 M CA . 51781 1 15 . 1 . 1 6 6 MET CB C 13 37.913 . . 1 . . . . . 6 M CB . 51781 1 16 . 1 . 1 6 6 MET N N 15 123.800 . . 1 . . . . . 6 M N . 51781 1 17 . 1 . 1 7 7 ARG H H 1 8.940 . . 1 . . . . . 7 R HN . 51781 1 18 . 1 . 1 7 7 ARG C C 13 173.437 . . 1 . . . . . 7 R C . 51781 1 19 . 1 . 1 7 7 ARG CA C 13 54.024 . . 1 . . . . . 7 R CA . 51781 1 20 . 1 . 1 7 7 ARG CB C 13 35.737 . . 1 . . . . . 7 R CB . 51781 1 21 . 1 . 1 7 7 ARG N N 15 125.346 . . 1 . . . . . 7 R N . 51781 1 22 . 1 . 1 8 8 TYR H H 1 8.751 . . 1 . . . . . 8 Y HN . 51781 1 23 . 1 . 1 8 8 TYR C C 13 173.373 . . 1 . . . . . 8 Y C . 51781 1 24 . 1 . 1 8 8 TYR CA C 13 57.106 . . 1 . . . . . 8 Y CA . 51781 1 25 . 1 . 1 8 8 TYR CB C 13 42.061 . . 1 . . . . . 8 Y CB . 51781 1 26 . 1 . 1 8 8 TYR N N 15 120.064 . . 1 . . . . . 8 Y N . 51781 1 27 . 1 . 1 9 9 PHE H H 1 8.419 . . 1 . . . . . 9 F HN . 51781 1 28 . 1 . 1 9 9 PHE CA C 13 56.009 . . 1 . . . . . 9 F CA . 51781 1 29 . 1 . 1 9 9 PHE CB C 13 39.759 . . 1 . . . . . 9 F CB . 51781 1 30 . 1 . 1 9 9 PHE N N 15 118.255 . . 1 . . . . . 9 F N . 51781 1 31 . 1 . 1 13 13 VAL C C 13 176.761 . . 1 . . . . . 13 V C . 51781 1 32 . 1 . 1 14 14 SER H H 1 9.365 . . 1 . . . . . 14 S HN . 51781 1 33 . 1 . 1 14 14 SER C C 13 173.711 . . 1 . . . . . 14 S C . 51781 1 34 . 1 . 1 14 14 SER CA C 13 57.352 . . 1 . . . . . 14 S CA . 51781 1 35 . 1 . 1 14 14 SER CB C 13 64.234 . . 1 . . . . . 14 S CB . 51781 1 36 . 1 . 1 14 14 SER N N 15 122.087 . . 1 . . . . . 14 S N . 51781 1 37 . 1 . 1 15 15 ARG H H 1 9.422 . . 1 . . . . . 15 R HN . 51781 1 38 . 1 . 1 15 15 ARG CA C 13 52.767 . . 1 . . . . . 15 R CA . 51781 1 39 . 1 . 1 15 15 ARG CB C 13 30.230 . . 1 . . . . . 15 R CB . 51781 1 40 . 1 . 1 15 15 ARG N N 15 121.602 . . 1 . . . . . 15 R N . 51781 1 41 . 1 . 1 17 17 GLY C C 13 174.596 . . 1 . . . . . 17 G C . 51781 1 42 . 1 . 1 18 18 ARG H H 1 8.269 . . 1 . . . . . 18 R HN . 51781 1 43 . 1 . 1 18 18 ARG C C 13 176.021 . . 1 . . . . . 18 R C . 51781 1 44 . 1 . 1 18 18 ARG CA C 13 54.972 . . 1 . . . . . 18 R CA . 51781 1 45 . 1 . 1 18 18 ARG CB C 13 30.305 . . 1 . . . . . 18 R CB . 51781 1 46 . 1 . 1 18 18 ARG N N 15 120.286 . . 1 . . . . . 18 R N . 51781 1 47 . 1 . 1 19 19 GLY H H 1 7.999 . . 1 . . . . . 19 G HN . 51781 1 48 . 1 . 1 19 19 GLY C C 13 173.729 . . 1 . . . . . 19 G C . 51781 1 49 . 1 . 1 19 19 GLY CA C 13 44.688 . . 1 . . . . . 19 G CA . 51781 1 50 . 1 . 1 19 19 GLY N N 15 108.280 . . 1 . . . . . 19 G N . 51781 1 51 . 1 . 1 20 20 GLU H H 1 8.241 . . 1 . . . . . 20 E HN . 51781 1 52 . 1 . 1 20 20 GLU CA C 13 54.251 . . 1 . . . . . 20 E CA . 51781 1 53 . 1 . 1 20 20 GLU CB C 13 28.642 . . 1 . . . . . 20 E CB . 51781 1 54 . 1 . 1 20 20 GLU N N 15 121.848 . . 1 . . . . . 20 E N . 51781 1 55 . 1 . 1 22 22 ARG C C 13 175.148 . . 1 . . . . . 22 R C . 51781 1 56 . 1 . 1 23 23 PHE H H 1 9.198 . . 1 . . . . . 23 F HN . 51781 1 57 . 1 . 1 23 23 PHE C C 13 172.909 . . 1 . . . . . 23 F C . 51781 1 58 . 1 . 1 23 23 PHE CA C 13 56.583 . . 1 . . . . . 23 F CA . 51781 1 59 . 1 . 1 23 23 PHE CB C 13 44.176 . . 1 . . . . . 23 F CB . 51781 1 60 . 1 . 1 23 23 PHE N N 15 130.627 . . 1 . . . . . 23 F N . 51781 1 61 . 1 . 1 24 24 ILE H H 1 8.700 . . 1 . . . . . 24 I HN . 51781 1 62 . 1 . 1 24 24 ILE C C 13 174.136 . . 1 . . . . . 24 I C . 51781 1 63 . 1 . 1 24 24 ILE CA C 13 59.013 . . 1 . . . . . 24 I CA . 51781 1 64 . 1 . 1 24 24 ILE CB C 13 41.909 . . 1 . . . . . 24 I CB . 51781 1 65 . 1 . 1 24 24 ILE N N 15 127.343 . . 1 . . . . . 24 I N . 51781 1 66 . 1 . 1 25 25 ALA H H 1 9.250 . . 1 . . . . . 25 A HN . 51781 1 67 . 1 . 1 25 25 ALA C C 13 176.015 . . 1 . . . . . 25 A C . 51781 1 68 . 1 . 1 25 25 ALA CA C 13 49.102 . . 1 . . . . . 25 A CA . 51781 1 69 . 1 . 1 25 25 ALA CB C 13 23.842 . . 1 . . . . . 25 A CB . 51781 1 70 . 1 . 1 25 25 ALA N N 15 129.322 . . 1 . . . . . 25 A N . 51781 1 71 . 1 . 1 26 26 VAL H H 1 8.651 . . 1 . . . . . 26 V HN . 51781 1 72 . 1 . 1 26 26 VAL C C 13 173.922 . . 1 . . . . . 26 V C . 51781 1 73 . 1 . 1 26 26 VAL CA C 13 59.698 . . 1 . . . . . 26 V CA . 51781 1 74 . 1 . 1 26 26 VAL CB C 13 35.774 . . 1 . . . . . 26 V CB . 51781 1 75 . 1 . 1 26 26 VAL N N 15 115.549 . . 1 . . . . . 26 V N . 51781 1 76 . 1 . 1 27 27 GLY H H 1 7.261 . . 1 . . . . . 27 G HN . 51781 1 77 . 1 . 1 27 27 GLY C C 13 172.129 . . 1 . . . . . 27 G C . 51781 1 78 . 1 . 1 27 27 GLY CA C 13 44.655 . . 1 . . . . . 27 G CA . 51781 1 79 . 1 . 1 27 27 GLY N N 15 108.828 . . 1 . . . . . 27 G N . 51781 1 80 . 1 . 1 28 28 TYR H H 1 9.605 . . 1 . . . . . 28 Y HN . 51781 1 81 . 1 . 1 28 28 TYR C C 13 176.320 . . 1 . . . . . 28 Y C . 51781 1 82 . 1 . 1 28 28 TYR CA C 13 57.516 . . 1 . . . . . 28 Y CA . 51781 1 83 . 1 . 1 28 28 TYR CB C 13 43.012 . . 1 . . . . . 28 Y CB . 51781 1 84 . 1 . 1 28 28 TYR N N 15 125.616 . . 1 . . . . . 28 Y N . 51781 1 85 . 1 . 1 29 29 VAL H H 1 8.814 . . 1 . . . . . 29 V HN . 51781 1 86 . 1 . 1 29 29 VAL C C 13 175.785 . . 1 . . . . . 29 V C . 51781 1 87 . 1 . 1 29 29 VAL CA C 13 61.853 . . 1 . . . . . 29 V CA . 51781 1 88 . 1 . 1 29 29 VAL CB C 13 32.320 . . 1 . . . . . 29 V CB . 51781 1 89 . 1 . 1 29 29 VAL N N 15 122.011 . . 1 . . . . . 29 V N . 51781 1 90 . 1 . 1 30 30 ASP H H 1 9.638 . . 1 . . . . . 30 D HN . 51781 1 91 . 1 . 1 30 30 ASP CA C 13 55.729 . . 1 . . . . . 30 D CA . 51781 1 92 . 1 . 1 30 30 ASP CB C 13 37.512 . . 1 . . . . . 30 D CB . 51781 1 93 . 1 . 1 30 30 ASP N N 15 127.208 . . 1 . . . . . 30 D N . 51781 1 94 . 1 . 1 31 31 ASP C C 13 175.988 . . 1 . . . . . 31 D C . 51781 1 95 . 1 . 1 32 32 THR H H 1 9.238 . . 1 . . . . . 32 T HN . 51781 1 96 . 1 . 1 32 32 THR C C 13 172.595 . . 1 . . . . . 32 T C . 51781 1 97 . 1 . 1 32 32 THR CA C 13 62.889 . . 1 . . . . . 32 T CA . 51781 1 98 . 1 . 1 32 32 THR CB C 13 70.366 . . 1 . . . . . 32 T CB . 51781 1 99 . 1 . 1 32 32 THR N N 15 120.190 . . 1 . . . . . 32 T N . 51781 1 100 . 1 . 1 34 34 PHE H H 1 8.967 . . 1 . . . . . 34 F HN . 51781 1 101 . 1 . 1 34 34 PHE CA C 13 56.383 . . 1 . . . . . 34 F CA . 51781 1 102 . 1 . 1 34 34 PHE CB C 13 43.633 . . 1 . . . . . 34 F CB . 51781 1 103 . 1 . 1 34 34 PHE N N 15 120.588 . . 1 . . . . . 34 F N . 51781 1 104 . 1 . 1 35 35 VAL C C 13 175.739 . . 1 . . . . . 35 V C . 51781 1 105 . 1 . 1 36 36 ARG H H 1 8.695 . . 1 . . . . . 36 R HN . 51781 1 106 . 1 . 1 36 36 ARG C C 13 176.616 . . 1 . . . . . 36 R C . 51781 1 107 . 1 . 1 36 36 ARG CA C 13 54.153 . . 1 . . . . . 36 R CA . 51781 1 108 . 1 . 1 36 36 ARG CB C 13 33.573 . . 1 . . . . . 36 R CB . 51781 1 109 . 1 . 1 36 36 ARG N N 15 118.978 . . 1 . . . . . 36 R N . 51781 1 110 . 1 . 1 37 37 PHE H H 1 9.328 . . 1 . . . . . 37 F HN . 51781 1 111 . 1 . 1 37 37 PHE C C 13 172.863 . . 1 . . . . . 37 F C . 51781 1 112 . 1 . 1 37 37 PHE CA C 13 57.270 . . 1 . . . . . 37 F CA . 51781 1 113 . 1 . 1 37 37 PHE CB C 13 44.334 . . 1 . . . . . 37 F CB . 51781 1 114 . 1 . 1 37 37 PHE N N 15 122.039 . . 1 . . . . . 37 F N . 51781 1 115 . 1 . 1 38 38 ASP H H 1 7.304 . . 1 . . . . . 38 D HN . 51781 1 116 . 1 . 1 38 38 ASP C C 13 177.058 . . 1 . . . . . 38 D C . 51781 1 117 . 1 . 1 38 38 ASP CA C 13 51.575 . . 1 . . . . . 38 D CA . 51781 1 118 . 1 . 1 38 38 ASP CB C 13 42.619 . . 1 . . . . . 38 D CB . 51781 1 119 . 1 . 1 38 38 ASP N N 15 126.489 . . 1 . . . . . 38 D N . 51781 1 120 . 1 . 1 39 39 SER H H 1 9.650 . . 1 . . . . . 39 S HN . 51781 1 121 . 1 . 1 39 39 SER C C 13 175.274 . . 1 . . . . . 39 S C . 51781 1 122 . 1 . 1 39 39 SER CA C 13 61.578 . . 1 . . . . . 39 S CA . 51781 1 123 . 1 . 1 39 39 SER CB C 13 62.305 . . 1 . . . . . 39 S CB . 51781 1 124 . 1 . 1 39 39 SER N N 15 125.264 . . 1 . . . . . 39 S N . 51781 1 125 . 1 . 1 40 40 ASP H H 1 8.557 . . 1 . . . . . 40 D HN . 51781 1 126 . 1 . 1 40 40 ASP C C 13 177.016 . . 1 . . . . . 40 D C . 51781 1 127 . 1 . 1 40 40 ASP CA C 13 54.204 . . 1 . . . . . 40 D CA . 51781 1 128 . 1 . 1 40 40 ASP CB C 13 39.888 . . 1 . . . . . 40 D CB . 51781 1 129 . 1 . 1 40 40 ASP N N 15 122.607 . . 1 . . . . . 40 D N . 51781 1 130 . 1 . 1 41 41 ALA H H 1 7.557 . . 1 . . . . . 41 A HN . 51781 1 131 . 1 . 1 41 41 ALA CA C 13 51.499 . . 1 . . . . . 41 A CA . 51781 1 132 . 1 . 1 41 41 ALA CB C 13 18.550 . . 1 . . . . . 41 A CB . 51781 1 133 . 1 . 1 41 41 ALA N N 15 124.357 . . 1 . . . . . 41 A N . 51781 1 134 . 1 . 1 42 42 ALA C C 13 180.424 . . 1 . . . . . 42 A C . 51781 1 135 . 1 . 1 43 43 SER H H 1 8.080 . . 1 . . . . . 43 S HN . 51781 1 136 . 1 . 1 43 43 SER CA C 13 60.412 . . 1 . . . . . 43 S CA . 51781 1 137 . 1 . 1 43 43 SER CB C 13 62.004 . . 1 . . . . . 43 S CB . 51781 1 138 . 1 . 1 43 43 SER N N 15 112.767 . . 1 . . . . . 43 S N . 51781 1 139 . 1 . 1 44 44 GLN C C 13 175.249 . . 1 . . . . . 44 Q C . 51781 1 140 . 1 . 1 45 45 ARG H H 1 7.715 . . 1 . . . . . 45 R HN . 51781 1 141 . 1 . 1 45 45 ARG C C 13 176.508 . . 1 . . . . . 45 R C . 51781 1 142 . 1 . 1 45 45 ARG CA C 13 53.360 . . 1 . . . . . 45 R CA . 51781 1 143 . 1 . 1 45 45 ARG CB C 13 32.799 . . 1 . . . . . 45 R CB . 51781 1 144 . 1 . 1 45 45 ARG N N 15 115.719 . . 1 . . . . . 45 R N . 51781 1 145 . 1 . 1 46 46 MET H H 1 8.238 . . 1 . . . . . 46 M HN . 51781 1 146 . 1 . 1 46 46 MET C C 13 174.700 . . 1 . . . . . 46 M C . 51781 1 147 . 1 . 1 46 46 MET CA C 13 56.579 . . 1 . . . . . 46 M CA . 51781 1 148 . 1 . 1 46 46 MET CB C 13 33.106 . . 1 . . . . . 46 M CB . 51781 1 149 . 1 . 1 46 46 MET N N 15 122.587 . . 1 . . . . . 46 M N . 51781 1 150 . 1 . 1 47 47 GLU H H 1 9.311 . . 1 . . . . . 47 E HN . 51781 1 151 . 1 . 1 47 47 GLU CA C 13 52.976 . . 1 . . . . . 47 E CA . 51781 1 152 . 1 . 1 47 47 GLU CB C 13 31.760 . . 1 . . . . . 47 E CB . 51781 1 153 . 1 . 1 47 47 GLU N N 15 125.615 . . 1 . . . . . 47 E N . 51781 1 154 . 1 . 1 51 51 PRO C C 13 176.451 . . 1 . . . . . 51 P C . 51781 1 155 . 1 . 1 52 52 TRP H H 1 7.280 . . 1 . . . . . 52 W HN . 51781 1 156 . 1 . 1 52 52 TRP CA C 13 58.885 . . 1 . . . . . 52 W CA . 51781 1 157 . 1 . 1 52 52 TRP CB C 13 28.756 . . 1 . . . . . 52 W CB . 51781 1 158 . 1 . 1 52 52 TRP N N 15 122.172 . . 1 . . . . . 52 W N . 51781 1 159 . 1 . 1 54 54 GLU C C 13 176.634 . . 1 . . . . . 54 E C . 51781 1 160 . 1 . 1 55 55 GLN H H 1 7.293 . . 1 . . . . . 55 Q HN . 51781 1 161 . 1 . 1 55 55 GLN C C 13 177.349 . . 1 . . . . . 55 Q C . 51781 1 162 . 1 . 1 55 55 GLN CA C 13 56.174 . . 1 . . . . . 55 Q CA . 51781 1 163 . 1 . 1 55 55 GLN CB C 13 28.296 . . 1 . . . . . 55 Q CB . 51781 1 164 . 1 . 1 55 55 GLN N N 15 113.160 . . 1 . . . . . 55 Q N . 51781 1 165 . 1 . 1 56 56 GLU H H 1 7.665 . . 1 . . . . . 56 E HN . 51781 1 166 . 1 . 1 56 56 GLU C C 13 177.987 . . 1 . . . . . 56 E C . 51781 1 167 . 1 . 1 56 56 GLU CA C 13 56.467 . . 1 . . . . . 56 E CA . 51781 1 168 . 1 . 1 56 56 GLU CB C 13 28.746 . . 1 . . . . . 56 E CB . 51781 1 169 . 1 . 1 56 56 GLU N N 15 120.925 . . 1 . . . . . 56 E N . 51781 1 170 . 1 . 1 57 57 GLY H H 1 8.698 . . 1 . . . . . 57 G HN . 51781 1 171 . 1 . 1 57 57 GLY CA C 13 44.833 . . 1 . . . . . 57 G CA . 51781 1 172 . 1 . 1 57 57 GLY N N 15 108.912 . . 1 . . . . . 57 G N . 51781 1 173 . 1 . 1 58 58 PRO C C 13 178.593 . . 1 . . . . . 58 P C . 51781 1 174 . 1 . 1 59 59 GLU H H 1 9.114 . . 1 . . . . . 59 E HN . 51781 1 175 . 1 . 1 59 59 GLU C C 13 180.282 . . 1 . . . . . 59 E C . 51781 1 176 . 1 . 1 59 59 GLU CA C 13 59.404 . . 1 . . . . . 59 E CA . 51781 1 177 . 1 . 1 59 59 GLU CB C 13 27.659 . . 1 . . . . . 59 E CB . 51781 1 178 . 1 . 1 59 59 GLU N N 15 117.576 . . 1 . . . . . 59 E N . 51781 1 179 . 1 . 1 60 60 TYR H H 1 7.860 . . 1 . . . . . 60 Y HN . 51781 1 180 . 1 . 1 60 60 TYR C C 13 177.260 . . 1 . . . . . 60 Y C . 51781 1 181 . 1 . 1 60 60 TYR CA C 13 60.930 . . 1 . . . . . 60 Y CA . 51781 1 182 . 1 . 1 60 60 TYR CB C 13 37.900 . . 1 . . . . . 60 Y CB . 51781 1 183 . 1 . 1 60 60 TYR N N 15 124.202 . . 1 . . . . . 60 Y N . 51781 1 184 . 1 . 1 61 61 TRP H H 1 7.133 . . 1 . . . . . 61 W HN . 51781 1 185 . 1 . 1 61 61 TRP C C 13 179.898 . . 1 . . . . . 61 W C . 51781 1 186 . 1 . 1 61 61 TRP CA C 13 59.455 . . 1 . . . . . 61 W CA . 51781 1 187 . 1 . 1 61 61 TRP CB C 13 28.713 . . 1 . . . . . 61 W CB . 51781 1 188 . 1 . 1 61 61 TRP N N 15 121.537 . . 1 . . . . . 61 W N . 51781 1 189 . 1 . 1 62 62 ASP H H 1 9.167 . . 1 . . . . . 62 D HN . 51781 1 190 . 1 . 1 62 62 ASP C C 13 179.315 . . 1 . . . . . 62 D C . 51781 1 191 . 1 . 1 62 62 ASP CA C 13 57.388 . . 1 . . . . . 62 D CA . 51781 1 192 . 1 . 1 62 62 ASP CB C 13 39.898 . . 1 . . . . . 62 D CB . 51781 1 193 . 1 . 1 62 62 ASP N N 15 122.951 . . 1 . . . . . 62 D N . 51781 1 194 . 1 . 1 63 63 GLY H H 1 7.877 . . 1 . . . . . 63 G HN . 51781 1 195 . 1 . 1 63 63 GLY CA C 13 47.153 . . 1 . . . . . 63 G CA . 51781 1 196 . 1 . 1 63 63 GLY N N 15 110.249 . . 1 . . . . . 63 G N . 51781 1 197 . 1 . 1 68 68 VAL C C 13 177.508 . . 1 . . . . . 68 V C . 51781 1 198 . 1 . 1 69 69 LYS H H 1 7.759 . . 1 . . . . . 69 K HN . 51781 1 199 . 1 . 1 69 69 LYS C C 13 179.311 . . 1 . . . . . 69 K C . 51781 1 200 . 1 . 1 69 69 LYS CA C 13 59.353 . . 1 . . . . . 69 K CA . 51781 1 201 . 1 . 1 69 69 LYS CB C 13 30.460 . . 1 . . . . . 69 K CB . 51781 1 202 . 1 . 1 69 69 LYS N N 15 124.397 . . 1 . . . . . 69 K N . 51781 1 203 . 1 . 1 70 70 ALA H H 1 7.534 . . 1 . . . . . 70 A HN . 51781 1 204 . 1 . 1 70 70 ALA CA C 13 55.083 . . 1 . . . . . 70 A CA . 51781 1 205 . 1 . 1 70 70 ALA CB C 13 16.786 . . 1 . . . . . 70 A CB . 51781 1 206 . 1 . 1 70 70 ALA N N 15 125.107 . . 1 . . . . . 70 A N . 51781 1 207 . 1 . 1 76 76 ARG C C 13 179.526 . . 1 . . . . . 76 R C . 51781 1 208 . 1 . 1 77 77 VAL H H 1 7.492 . . 1 . . . . . 77 V HN . 51781 1 209 . 1 . 1 77 77 VAL CA C 13 66.012 . . 1 . . . . . 77 V CA . 51781 1 210 . 1 . 1 77 77 VAL CB C 13 30.629 . . 1 . . . . . 77 V CB . 51781 1 211 . 1 . 1 77 77 VAL N N 15 122.558 . . 1 . . . . . 77 V N . 51781 1 212 . 1 . 1 79 79 LEU C C 13 180.361 . . 1 . . . . . 79 L C . 51781 1 213 . 1 . 1 80 80 GLY H H 1 7.253 . . 1 . . . . . 80 G HN . 51781 1 214 . 1 . 1 80 80 GLY CA C 13 46.743 . . 1 . . . . . 80 G CA . 51781 1 215 . 1 . 1 80 80 GLY N N 15 107.195 . . 1 . . . . . 80 G N . 51781 1 216 . 1 . 1 82 82 LEU C C 13 177.932 . . 1 . . . . . 82 L C . 51781 1 217 . 1 . 1 83 83 ARG H H 1 6.907 . . 1 . . . . . 83 R HN . 51781 1 218 . 1 . 1 83 83 ARG C C 13 179.387 . . 1 . . . . . 83 R C . 51781 1 219 . 1 . 1 83 83 ARG CA C 13 58.921 . . 1 . . . . . 83 R CA . 51781 1 220 . 1 . 1 83 83 ARG CB C 13 28.136 . . 1 . . . . . 83 R CB . 51781 1 221 . 1 . 1 83 83 ARG N N 15 117.850 . . 1 . . . . . 83 R N . 51781 1 222 . 1 . 1 84 84 GLY H H 1 7.128 . . 1 . . . . . 84 G HN . 51781 1 223 . 1 . 1 84 84 GLY C C 13 177.618 . . 1 . . . . . 84 G C . 51781 1 224 . 1 . 1 84 84 GLY CA C 13 46.545 . . 1 . . . . . 84 G CA . 51781 1 225 . 1 . 1 84 84 GLY N N 15 104.920 . . 1 . . . . . 84 G N . 51781 1 226 . 1 . 1 85 85 TYR H H 1 8.310 . . 1 . . . . . 85 Y HN . 51781 1 227 . 1 . 1 85 85 TYR C C 13 178.580 . . 1 . . . . . 85 Y C . 51781 1 228 . 1 . 1 85 85 TYR CA C 13 56.773 . . 1 . . . . . 85 Y CA . 51781 1 229 . 1 . 1 85 85 TYR CB C 13 35.938 . . 1 . . . . . 85 Y CB . 51781 1 230 . 1 . 1 85 85 TYR N N 15 123.241 . . 1 . . . . . 85 Y N . 51781 1 231 . 1 . 1 86 86 TYR H H 1 7.730 . . 1 . . . . . 86 Y HN . 51781 1 232 . 1 . 1 86 86 TYR C C 13 174.509 . . 1 . . . . . 86 Y C . 51781 1 233 . 1 . 1 86 86 TYR CA C 13 59.032 . . 1 . . . . . 86 Y CA . 51781 1 234 . 1 . 1 86 86 TYR CB C 13 36.789 . . 1 . . . . . 86 Y CB . 51781 1 235 . 1 . 1 86 86 TYR N N 15 113.999 . . 1 . . . . . 86 Y N . 51781 1 236 . 1 . 1 87 87 ASN H H 1 7.829 . . 1 . . . . . 87 N HN . 51781 1 237 . 1 . 1 87 87 ASN C C 13 174.855 . . 1 . . . . . 87 N C . 51781 1 238 . 1 . 1 87 87 ASN CA C 13 54.166 . . 1 . . . . . 87 N CA . 51781 1 239 . 1 . 1 87 87 ASN CB C 13 36.693 . . 1 . . . . . 87 N CB . 51781 1 240 . 1 . 1 87 87 ASN N N 15 120.293 . . 1 . . . . . 87 N N . 51781 1 241 . 1 . 1 88 88 GLN H H 1 8.605 . . 1 . . . . . 88 Q HN . 51781 1 242 . 1 . 1 88 88 GLN CA C 13 54.275 . . 1 . . . . . 88 Q CA . 51781 1 243 . 1 . 1 88 88 GLN CB C 13 29.169 . . 1 . . . . . 88 Q CB . 51781 1 244 . 1 . 1 88 88 GLN N N 15 117.469 . . 1 . . . . . 88 Q N . 51781 1 245 . 1 . 1 91 91 ALA C C 13 177.972 . . 1 . . . . . 91 A C . 51781 1 246 . 1 . 1 92 92 GLY H H 1 7.384 . . 1 . . . . . 92 G HN . 51781 1 247 . 1 . 1 92 92 GLY C C 13 172.336 . . 1 . . . . . 92 G C . 51781 1 248 . 1 . 1 92 92 GLY CA C 13 43.854 . . 1 . . . . . 92 G CA . 51781 1 249 . 1 . 1 92 92 GLY N N 15 106.042 . . 1 . . . . . 92 G N . 51781 1 250 . 1 . 1 93 93 SER H H 1 7.951 . . 1 . . . . . 93 S HN . 51781 1 251 . 1 . 1 93 93 SER CA C 13 56.935 . . 1 . . . . . 93 S CA . 51781 1 252 . 1 . 1 93 93 SER CB C 13 63.021 . . 1 . . . . . 93 S CB . 51781 1 253 . 1 . 1 93 93 SER N N 15 115.144 . . 1 . . . . . 93 S N . 51781 1 254 . 1 . 1 94 94 HIS C C 13 172.507 . . 1 . . . . . 94 H C . 51781 1 255 . 1 . 1 95 95 THR H H 1 8.334 . . 1 . . . . . 95 T HN . 51781 1 256 . 1 . 1 95 95 THR CA C 13 61.384 . . 1 . . . . . 95 T CA . 51781 1 257 . 1 . 1 95 95 THR CB C 13 71.549 . . 1 . . . . . 95 T CB . 51781 1 258 . 1 . 1 95 95 THR N N 15 114.490 . . 1 . . . . . 95 T N . 51781 1 259 . 1 . 1 98 98 ARG C C 13 173.734 . . 1 . . . . . 98 R C . 51781 1 260 . 1 . 1 99 99 MET H H 1 9.468 . . 1 . . . . . 99 M HN . 51781 1 261 . 1 . 1 99 99 MET C C 13 174.913 . . 1 . . . . . 99 M C . 51781 1 262 . 1 . 1 99 99 MET CA C 13 53.787 . . 1 . . . . . 99 M CA . 51781 1 263 . 1 . 1 99 99 MET CB C 13 35.652 . . 1 . . . . . 99 M CB . 51781 1 264 . 1 . 1 99 99 MET N N 15 128.938 . . 1 . . . . . 99 M N . 51781 1 265 . 1 . 1 100 100 TYR H H 1 8.467 . . 1 . . . . . 100 Y HN . 51781 1 266 . 1 . 1 100 100 TYR C C 13 173.878 . . 1 . . . . . 100 Y C . 51781 1 267 . 1 . 1 100 100 TYR CA C 13 56.354 . . 1 . . . . . 100 Y CA . 51781 1 268 . 1 . 1 100 100 TYR CB C 13 40.740 . . 1 . . . . . 100 Y CB . 51781 1 269 . 1 . 1 100 100 TYR N N 15 119.138 . . 1 . . . . . 100 Y N . 51781 1 270 . 1 . 1 101 101 GLY H H 1 8.437 . . 1 . . . . . 101 G HN . 51781 1 271 . 1 . 1 101 101 GLY C C 13 170.203 . . 1 . . . . . 101 G C . 51781 1 272 . 1 . 1 101 101 GLY CA C 13 45.720 . . 1 . . . . . 101 G CA . 51781 1 273 . 1 . 1 101 101 GLY N N 15 103.940 . . 1 . . . . . 101 G N . 51781 1 274 . 1 . 1 102 102 CYS H H 1 8.630 . . 1 . . . . . 102 C HN . 51781 1 275 . 1 . 1 102 102 CYS C C 13 171.148 . . 1 . . . . . 102 C C . 51781 1 276 . 1 . 1 102 102 CYS CA C 13 53.622 . . 1 . . . . . 102 C CA . 51781 1 277 . 1 . 1 102 102 CYS CB C 13 48.254 . . 1 . . . . . 102 C CB . 51781 1 278 . 1 . 1 102 102 CYS N N 15 111.264 . . 1 . . . . . 102 C N . 51781 1 279 . 1 . 1 103 103 ASP H H 1 8.790 . . 1 . . . . . 103 D HN . 51781 1 280 . 1 . 1 103 103 ASP C C 13 176.379 . . 1 . . . . . 103 D C . 51781 1 281 . 1 . 1 103 103 ASP CA C 13 51.892 . . 1 . . . . . 103 D CA . 51781 1 282 . 1 . 1 103 103 ASP CB C 13 42.918 . . 1 . . . . . 103 D CB . 51781 1 283 . 1 . 1 103 103 ASP N N 15 119.321 . . 1 . . . . . 103 D N . 51781 1 284 . 1 . 1 104 104 VAL H H 1 9.067 . . 1 . . . . . 104 V HN . 51781 1 285 . 1 . 1 104 104 VAL C C 13 175.606 . . 1 . . . . . 104 V C . 51781 1 286 . 1 . 1 104 104 VAL CA C 13 58.087 . . 1 . . . . . 104 V CA . 51781 1 287 . 1 . 1 104 104 VAL CB C 13 34.596 . . 1 . . . . . 104 V CB . 51781 1 288 . 1 . 1 104 104 VAL N N 15 114.385 . . 1 . . . . . 104 V N . 51781 1 289 . 1 . 1 105 105 GLY H H 1 8.278 . . 1 . . . . . 105 G HN . 51781 1 290 . 1 . 1 105 105 GLY CA C 13 43.697 . . 1 . . . . . 105 G CA . 51781 1 291 . 1 . 1 105 105 GLY N N 15 107.302 . . 1 . . . . . 105 G N . 51781 1 292 . 1 . 1 108 108 TRP C C 13 174.576 . . 1 . . . . . 108 W C . 51781 1 293 . 1 . 1 109 109 ARG H H 1 7.669 . . 1 . . . . . 109 R HN . 51781 1 294 . 1 . 1 109 109 ARG C C 13 176.269 . . 1 . . . . . 109 R C . 51781 1 295 . 1 . 1 109 109 ARG CA C 13 55.110 . . 1 . . . . . 109 R CA . 51781 1 296 . 1 . 1 109 109 ARG CB C 13 30.264 . . 1 . . . . . 109 R CB . 51781 1 297 . 1 . 1 109 109 ARG N N 15 118.053 . . 1 . . . . . 109 R N . 51781 1 298 . 1 . 1 110 110 PHE H H 1 8.963 . . 1 . . . . . 110 F HN . 51781 1 299 . 1 . 1 110 110 PHE C C 13 174.424 . . 1 . . . . . 110 F C . 51781 1 300 . 1 . 1 110 110 PHE CA C 13 60.404 . . 1 . . . . . 110 F CA . 51781 1 301 . 1 . 1 110 110 PHE CB C 13 39.158 . . 1 . . . . . 110 F CB . 51781 1 302 . 1 . 1 110 110 PHE N N 15 121.959 . . 1 . . . . . 110 F N . 51781 1 303 . 1 . 1 111 111 LEU H H 1 8.358 . . 1 . . . . . 111 L HN . 51781 1 304 . 1 . 1 111 111 LEU C C 13 175.864 . . 1 . . . . . 111 L C . 51781 1 305 . 1 . 1 111 111 LEU CA C 13 54.830 . . 1 . . . . . 111 L CA . 51781 1 306 . 1 . 1 111 111 LEU CB C 13 44.240 . . 1 . . . . . 111 L CB . 51781 1 307 . 1 . 1 111 111 LEU N N 15 127.856 . . 1 . . . . . 111 L N . 51781 1 308 . 1 . 1 112 112 ARG H H 1 6.360 . . 1 . . . . . 112 R HN . 51781 1 309 . 1 . 1 112 112 ARG C C 13 173.216 . . 1 . . . . . 112 R C . 51781 1 310 . 1 . 1 112 112 ARG CA C 13 55.341 . . 1 . . . . . 112 R CA . 51781 1 311 . 1 . 1 112 112 ARG CB C 13 32.475 . . 1 . . . . . 112 R CB . 51781 1 312 . 1 . 1 112 112 ARG N N 15 113.847 . . 1 . . . . . 112 R N . 51781 1 313 . 1 . 1 113 113 GLY H H 1 8.494 . . 1 . . . . . 113 G HN . 51781 1 314 . 1 . 1 113 113 GLY C C 13 170.563 . . 1 . . . . . 113 G C . 51781 1 315 . 1 . 1 113 113 GLY CA C 13 43.572 . . 1 . . . . . 113 G CA . 51781 1 316 . 1 . 1 113 113 GLY N N 15 108.276 . . 1 . . . . . 113 G N . 51781 1 317 . 1 . 1 114 114 TYR H H 1 8.255 . . 1 . . . . . 114 Y HN . 51781 1 318 . 1 . 1 114 114 TYR CA C 13 55.892 . . 1 . . . . . 114 Y CA . 51781 1 319 . 1 . 1 114 114 TYR CB C 13 41.219 . . 1 . . . . . 114 Y CB . 51781 1 320 . 1 . 1 114 114 TYR N N 15 116.545 . . 1 . . . . . 114 Y N . 51781 1 321 . 1 . 1 120 120 ASP C C 13 174.518 . . 1 . . . . . 120 D C . 51781 1 322 . 1 . 1 121 121 CYS H H 1 9.187 . . 1 . . . . . 121 C HN . 51781 1 323 . 1 . 1 121 121 CYS C C 13 171.856 . . 1 . . . . . 121 C C . 51781 1 324 . 1 . 1 121 121 CYS CA C 13 56.590 . . 1 . . . . . 121 C CA . 51781 1 325 . 1 . 1 121 121 CYS CB C 13 43.711 . . 1 . . . . . 121 C CB . 51781 1 326 . 1 . 1 121 121 CYS N N 15 109.013 . . 1 . . . . . 121 C N . 51781 1 327 . 1 . 1 122 122 LYS H H 1 7.159 . . 1 . . . . . 122 K HN . 51781 1 328 . 1 . 1 122 122 LYS C C 13 174.241 . . 1 . . . . . 122 K C . 51781 1 329 . 1 . 1 122 122 LYS CA C 13 54.107 . . 1 . . . . . 122 K CA . 51781 1 330 . 1 . 1 122 122 LYS CB C 13 34.898 . . 1 . . . . . 122 K CB . 51781 1 331 . 1 . 1 122 122 LYS N N 15 117.753 . . 1 . . . . . 122 K N . 51781 1 332 . 1 . 1 123 123 ASP H H 1 8.369 . . 1 . . . . . 123 D HN . 51781 1 333 . 1 . 1 123 123 ASP CA C 13 57.214 . . 1 . . . . . 123 D CA . 51781 1 334 . 1 . 1 123 123 ASP CB C 13 41.258 . . 1 . . . . . 123 D CB . 51781 1 335 . 1 . 1 123 123 ASP N N 15 122.739 . . 1 . . . . . 123 D N . 51781 1 336 . 1 . 1 124 124 TYR C C 13 172.562 . . 1 . . . . . 124 Y C . 51781 1 337 . 1 . 1 125 125 ILE H H 1 7.965 . . 1 . . . . . 125 I HN . 51781 1 338 . 1 . 1 125 125 ILE C C 13 172.397 . . 1 . . . . . 125 I C . 51781 1 339 . 1 . 1 125 125 ILE CA C 13 60.244 . . 1 . . . . . 125 I CA . 51781 1 340 . 1 . 1 125 125 ILE CB C 13 40.802 . . 1 . . . . . 125 I CB . 51781 1 341 . 1 . 1 125 125 ILE N N 15 115.590 . . 1 . . . . . 125 I N . 51781 1 342 . 1 . 1 126 126 ALA H H 1 8.534 . . 1 . . . . . 126 A HN . 51781 1 343 . 1 . 1 126 126 ALA C C 13 176.022 . . 1 . . . . . 126 A C . 51781 1 344 . 1 . 1 126 126 ALA CA C 13 51.522 . . 1 . . . . . 126 A CA . 51781 1 345 . 1 . 1 126 126 ALA CB C 13 22.676 . . 1 . . . . . 126 A CB . 51781 1 346 . 1 . 1 126 126 ALA N N 15 127.552 . . 1 . . . . . 126 A N . 51781 1 347 . 1 . 1 127 127 LEU H H 1 8.806 . . 1 . . . . . 127 L HN . 51781 1 348 . 1 . 1 127 127 LEU C C 13 177.550 . . 1 . . . . . 127 L C . 51781 1 349 . 1 . 1 127 127 LEU CA C 13 54.287 . . 1 . . . . . 127 L CA . 51781 1 350 . 1 . 1 127 127 LEU CB C 13 43.496 . . 1 . . . . . 127 L CB . 51781 1 351 . 1 . 1 127 127 LEU N N 15 125.413 . . 1 . . . . . 127 L N . 51781 1 352 . 1 . 1 128 128 LYS H H 1 8.648 . . 1 . . . . . 128 K HN . 51781 1 353 . 1 . 1 128 128 LYS CA C 13 57.380 . . 1 . . . . . 128 K CA . 51781 1 354 . 1 . 1 128 128 LYS CB C 13 31.818 . . 1 . . . . . 128 K CB . 51781 1 355 . 1 . 1 128 128 LYS N N 15 126.489 . . 1 . . . . . 128 K N . 51781 1 356 . 1 . 1 129 129 GLU C C 13 176.302 . . 1 . . . . . 129 E C . 51781 1 357 . 1 . 1 130 130 ASP H H 1 7.286 . . 1 . . . . . 130 D HN . 51781 1 358 . 1 . 1 130 130 ASP C C 13 176.037 . . 1 . . . . . 130 D C . 51781 1 359 . 1 . 1 130 130 ASP CA C 13 53.757 . . 1 . . . . . 130 D CA . 51781 1 360 . 1 . 1 130 130 ASP CB C 13 39.117 . . 1 . . . . . 130 D CB . 51781 1 361 . 1 . 1 130 130 ASP N N 15 115.578 . . 1 . . . . . 130 D N . 51781 1 362 . 1 . 1 131 131 LEU H H 1 8.453 . . 1 . . . . . 131 L HN . 51781 1 363 . 1 . 1 131 131 LEU C C 13 175.083 . . 1 . . . . . 131 L C . 51781 1 364 . 1 . 1 131 131 LEU CA C 13 55.616 . . 1 . . . . . 131 L CA . 51781 1 365 . 1 . 1 131 131 LEU CB C 13 38.066 . . 1 . . . . . 131 L CB . 51781 1 366 . 1 . 1 131 131 LEU N N 15 114.382 . . 1 . . . . . 131 L N . 51781 1 367 . 1 . 1 132 132 ARG H H 1 8.170 . . 1 . . . . . 132 R HN . 51781 1 368 . 1 . 1 132 132 ARG C C 13 175.362 . . 1 . . . . . 132 R C . 51781 1 369 . 1 . 1 132 132 ARG CA C 13 55.519 . . 1 . . . . . 132 R CA . 51781 1 370 . 1 . 1 132 132 ARG CB C 13 32.683 . . 1 . . . . . 132 R CB . 51781 1 371 . 1 . 1 132 132 ARG N N 15 113.700 . . 1 . . . . . 132 R N . 51781 1 372 . 1 . 1 133 133 SER H H 1 7.813 . . 1 . . . . . 133 S HN . 51781 1 373 . 1 . 1 133 133 SER C C 13 171.724 . . 1 . . . . . 133 S C . 51781 1 374 . 1 . 1 133 133 SER CA C 13 56.805 . . 1 . . . . . 133 S CA . 51781 1 375 . 1 . 1 133 133 SER CB C 13 64.008 . . 1 . . . . . 133 S CB . 51781 1 376 . 1 . 1 133 133 SER N N 15 115.052 . . 1 . . . . . 133 S N . 51781 1 377 . 1 . 1 134 134 TRP H H 1 8.654 . . 1 . . . . . 134 W HN . 51781 1 378 . 1 . 1 134 134 TRP C C 13 176.601 . . 1 . . . . . 134 W C . 51781 1 379 . 1 . 1 134 134 TRP CA C 13 55.753 . . 1 . . . . . 134 W CA . 51781 1 380 . 1 . 1 134 134 TRP CB C 13 32.915 . . 1 . . . . . 134 W CB . 51781 1 381 . 1 . 1 134 134 TRP N N 15 119.976 . . 1 . . . . . 134 W N . 51781 1 382 . 1 . 1 135 135 THR H H 1 9.679 . . 1 . . . . . 135 T HN . 51781 1 383 . 1 . 1 135 135 THR CA C 13 60.784 . . 1 . . . . . 135 T CA . 51781 1 384 . 1 . 1 135 135 THR CB C 13 69.343 . . 1 . . . . . 135 T CB . 51781 1 385 . 1 . 1 135 135 THR N N 15 119.346 . . 1 . . . . . 135 T N . 51781 1 386 . 1 . 1 136 136 ALA C C 13 176.680 . . 1 . . . . . 136 A C . 51781 1 387 . 1 . 1 137 137 ALA H H 1 8.329 . . 1 . . . . . 137 A HN . 51781 1 388 . 1 . 1 137 137 ALA C C 13 176.996 . . 1 . . . . . 137 A C . 51781 1 389 . 1 . 1 137 137 ALA CA C 13 54.470 . . 1 . . . . . 137 A CA . 51781 1 390 . 1 . 1 137 137 ALA CB C 13 19.753 . . 1 . . . . . 137 A CB . 51781 1 391 . 1 . 1 137 137 ALA N N 15 125.723 . . 1 . . . . . 137 A N . 51781 1 392 . 1 . 1 138 138 ASP H H 1 7.272 . . 1 . . . . . 138 D HN . 51781 1 393 . 1 . 1 138 138 ASP CA C 13 52.295 . . 1 . . . . . 138 D CA . 51781 1 394 . 1 . 1 138 138 ASP CB C 13 41.030 . . 1 . . . . . 138 D CB . 51781 1 395 . 1 . 1 138 138 ASP N N 15 115.249 . . 1 . . . . . 138 D N . 51781 1 396 . 1 . 1 139 139 MET C C 13 178.928 . . 1 . . . . . 139 M C . 51781 1 397 . 1 . 1 140 140 ALA H H 1 7.878 . . 1 . . . . . 140 A HN . 51781 1 398 . 1 . 1 140 140 ALA C C 13 178.831 . . 1 . . . . . 140 A C . 51781 1 399 . 1 . 1 140 140 ALA CA C 13 54.755 . . 1 . . . . . 140 A CA . 51781 1 400 . 1 . 1 140 140 ALA CB C 13 16.638 . . 1 . . . . . 140 A CB . 51781 1 401 . 1 . 1 140 140 ALA N N 15 125.921 . . 1 . . . . . 140 A N . 51781 1 402 . 1 . 1 141 141 ALA H H 1 8.034 . . 1 . . . . . 141 A HN . 51781 1 403 . 1 . 1 141 141 ALA C C 13 179.643 . . 1 . . . . . 141 A C . 51781 1 404 . 1 . 1 141 141 ALA CA C 13 53.619 . . 1 . . . . . 141 A CA . 51781 1 405 . 1 . 1 141 141 ALA CB C 13 18.761 . . 1 . . . . . 141 A CB . 51781 1 406 . 1 . 1 141 141 ALA N N 15 118.739 . . 1 . . . . . 141 A N . 51781 1 407 . 1 . 1 142 142 GLN H H 1 7.644 . . 1 . . . . . 142 Q HN . 51781 1 408 . 1 . 1 142 142 GLN CA C 13 58.247 . . 1 . . . . . 142 Q CA . 51781 1 409 . 1 . 1 142 142 GLN CB C 13 26.581 . . 1 . . . . . 142 Q CB . 51781 1 410 . 1 . 1 142 142 GLN N N 15 117.614 . . 1 . . . . . 142 Q N . 51781 1 411 . 1 . 1 143 143 THR C C 13 176.996 . . 1 . . . . . 143 T C . 51781 1 412 . 1 . 1 144 144 THR H H 1 6.816 . . 1 . . . . . 144 T HN . 51781 1 413 . 1 . 1 144 144 THR CA C 13 66.300 . . 1 . . . . . 144 T CA . 51781 1 414 . 1 . 1 144 144 THR CB C 13 67.101 . . 1 . . . . . 144 T CB . 51781 1 415 . 1 . 1 144 144 THR N N 15 121.359 . . 1 . . . . . 144 T N . 51781 1 416 . 1 . 1 145 145 LYS C C 13 176.827 . . 1 . . . . . 145 K C . 51781 1 417 . 1 . 1 146 146 HIS H H 1 7.706 . . 1 . . . . . 146 H HN . 51781 1 418 . 1 . 1 146 146 HIS C C 13 178.436 . . 1 . . . . . 146 H C . 51781 1 419 . 1 . 1 146 146 HIS CA C 13 59.040 . . 1 . . . . . 146 H CA . 51781 1 420 . 1 . 1 146 146 HIS CB C 13 28.884 . . 1 . . . . . 146 H CB . 51781 1 421 . 1 . 1 146 146 HIS N N 15 117.081 . . 1 . . . . . 146 H N . 51781 1 422 . 1 . 1 147 147 LYS H H 1 7.634 . . 1 . . . . . 147 K HN . 51781 1 423 . 1 . 1 147 147 LYS CA C 13 59.336 . . 1 . . . . . 147 K CA . 51781 1 424 . 1 . 1 147 147 LYS CB C 13 31.735 . . 1 . . . . . 147 K CB . 51781 1 425 . 1 . 1 147 147 LYS N N 15 121.280 . . 1 . . . . . 147 K N . 51781 1 426 . 1 . 1 148 148 TRP C C 13 181.207 . . 1 . . . . . 148 W C . 51781 1 427 . 1 . 1 149 149 GLU H H 1 9.078 . . 1 . . . . . 149 E HN . 51781 1 428 . 1 . 1 149 149 GLU C C 13 179.812 . . 1 . . . . . 149 E C . 51781 1 429 . 1 . 1 149 149 GLU CA C 13 59.934 . . 1 . . . . . 149 E CA . 51781 1 430 . 1 . 1 149 149 GLU CB C 13 28.438 . . 1 . . . . . 149 E CB . 51781 1 431 . 1 . 1 149 149 GLU N N 15 126.112 . . 1 . . . . . 149 E N . 51781 1 432 . 1 . 1 150 150 ALA H H 1 7.877 . . 1 . . . . . 150 A HN . 51781 1 433 . 1 . 1 150 150 ALA C C 13 178.530 . . 1 . . . . . 150 A C . 51781 1 434 . 1 . 1 150 150 ALA CA C 13 54.485 . . 1 . . . . . 150 A CA . 51781 1 435 . 1 . 1 150 150 ALA CB C 13 17.085 . . 1 . . . . . 150 A CB . 51781 1 436 . 1 . 1 150 150 ALA N N 15 123.997 . . 1 . . . . . 150 A N . 51781 1 437 . 1 . 1 151 151 ALA H H 1 7.192 . . 1 . . . . . 151 A HN . 51781 1 438 . 1 . 1 151 151 ALA C C 13 176.489 . . 1 . . . . . 151 A C . 51781 1 439 . 1 . 1 151 151 ALA CA C 13 51.071 . . 1 . . . . . 151 A CA . 51781 1 440 . 1 . 1 151 151 ALA CB C 13 18.931 . . 1 . . . . . 151 A CB . 51781 1 441 . 1 . 1 151 151 ALA N N 15 115.799 . . 1 . . . . . 151 A N . 51781 1 442 . 1 . 1 152 152 HIS H H 1 7.584 . . 1 . . . . . 152 H HN . 51781 1 443 . 1 . 1 152 152 HIS C C 13 174.817 . . 1 . . . . . 152 H C . 51781 1 444 . 1 . 1 152 152 HIS CA C 13 56.978 . . 1 . . . . . 152 H CA . 51781 1 445 . 1 . 1 152 152 HIS CB C 13 25.377 . . 1 . . . . . 152 H CB . 51781 1 446 . 1 . 1 152 152 HIS N N 15 113.938 . . 1 . . . . . 152 H N . 51781 1 447 . 1 . 1 153 153 VAL H H 1 7.870 . . 1 . . . . . 153 V HN . 51781 1 448 . 1 . 1 153 153 VAL C C 13 178.070 . . 1 . . . . . 153 V C . 51781 1 449 . 1 . 1 153 153 VAL CA C 13 66.254 . . 1 . . . . . 153 V CA . 51781 1 450 . 1 . 1 153 153 VAL CB C 13 32.347 . . 1 . . . . . 153 V CB . 51781 1 451 . 1 . 1 153 153 VAL N N 15 117.268 . . 1 . . . . . 153 V N . 51781 1 452 . 1 . 1 154 154 ALA H H 1 9.731 . . 1 . . . . . 154 A HN . 51781 1 453 . 1 . 1 154 154 ALA C C 13 178.059 . . 1 . . . . . 154 A C . 51781 1 454 . 1 . 1 154 154 ALA CA C 13 55.934 . . 1 . . . . . 154 A CA . 51781 1 455 . 1 . 1 154 154 ALA CB C 13 16.368 . . 1 . . . . . 154 A CB . 51781 1 456 . 1 . 1 154 154 ALA N N 15 122.248 . . 1 . . . . . 154 A N . 51781 1 457 . 1 . 1 155 155 GLU H H 1 8.260 . . 1 . . . . . 155 E HN . 51781 1 458 . 1 . 1 155 155 GLU C C 13 180.026 . . 1 . . . . . 155 E C . 51781 1 459 . 1 . 1 155 155 GLU CA C 13 59.719 . . 1 . . . . . 155 E CA . 51781 1 460 . 1 . 1 155 155 GLU CB C 13 28.485 . . 1 . . . . . 155 E CB . 51781 1 461 . 1 . 1 155 155 GLU N N 15 116.979 . . 1 . . . . . 155 E N . 51781 1 462 . 1 . 1 156 156 GLN H H 1 7.323 . . 1 . . . . . 156 Q HN . 51781 1 463 . 1 . 1 156 156 GLN C C 13 178.175 . . 1 . . . . . 156 Q C . 51781 1 464 . 1 . 1 156 156 GLN CA C 13 58.090 . . 1 . . . . . 156 Q CA . 51781 1 465 . 1 . 1 156 156 GLN CB C 13 28.110 . . 1 . . . . . 156 Q CB . 51781 1 466 . 1 . 1 156 156 GLN N N 15 119.993 . . 1 . . . . . 156 Q N . 51781 1 467 . 1 . 1 157 157 LEU H H 1 8.564 . . 1 . . . . . 157 L HN . 51781 1 468 . 1 . 1 157 157 LEU C C 13 179.199 . . 1 . . . . . 157 L C . 51781 1 469 . 1 . 1 157 157 LEU CA C 13 56.864 . . 1 . . . . . 157 L CA . 51781 1 470 . 1 . 1 157 157 LEU CB C 13 41.030 . . 1 . . . . . 157 L CB . 51781 1 471 . 1 . 1 157 157 LEU N N 15 118.876 . . 1 . . . . . 157 L N . 51781 1 472 . 1 . 1 158 158 ARG H H 1 9.201 . . 1 . . . . . 158 R HN . 51781 1 473 . 1 . 1 158 158 ARG C C 13 176.926 . . 1 . . . . . 158 R C . 51781 1 474 . 1 . 1 158 158 ARG CA C 13 60.659 . . 1 . . . . . 158 R CA . 51781 1 475 . 1 . 1 158 158 ARG CB C 13 28.491 . . 1 . . . . . 158 R CB . 51781 1 476 . 1 . 1 158 158 ARG N N 15 121.123 . . 1 . . . . . 158 R N . 51781 1 477 . 1 . 1 159 159 ALA H H 1 7.104 . . 1 . . . . . 159 A HN . 51781 1 478 . 1 . 1 159 159 ALA C C 13 181.490 . . 1 . . . . . 159 A C . 51781 1 479 . 1 . 1 159 159 ALA CA C 13 54.438 . . 1 . . . . . 159 A CA . 51781 1 480 . 1 . 1 159 159 ALA CB C 13 17.075 . . 1 . . . . . 159 A CB . 51781 1 481 . 1 . 1 159 159 ALA N N 15 119.204 . . 1 . . . . . 159 A N . 51781 1 482 . 1 . 1 160 160 TYR H H 1 7.453 . . 1 . . . . . 160 Y HN . 51781 1 483 . 1 . 1 160 160 TYR CA C 13 60.815 . . 1 . . . . . 160 Y CA . 51781 1 484 . 1 . 1 160 160 TYR CB C 13 37.133 . . 1 . . . . . 160 Y CB . 51781 1 485 . 1 . 1 160 160 TYR N N 15 119.144 . . 1 . . . . . 160 Y N . 51781 1 486 . 1 . 1 161 161 LEU C C 13 175.971 . . 1 . . . . . 161 L C . 51781 1 487 . 1 . 1 162 162 GLU H H 1 7.872 . . 1 . . . . . 162 E HN . 51781 1 488 . 1 . 1 162 162 GLU C C 13 176.683 . . 1 . . . . . 162 E C . 51781 1 489 . 1 . 1 162 162 GLU CA C 13 56.241 . . 1 . . . . . 162 E CA . 51781 1 490 . 1 . 1 162 162 GLU CB C 13 29.627 . . 1 . . . . . 162 E CB . 51781 1 491 . 1 . 1 162 162 GLU N N 15 109.620 . . 1 . . . . . 162 E N . 51781 1 492 . 1 . 1 163 163 GLY H H 1 6.942 . . 1 . . . . . 163 G HN . 51781 1 493 . 1 . 1 163 163 GLY C C 13 173.044 . . 1 . . . . . 163 G C . 51781 1 494 . 1 . 1 163 163 GLY CA C 13 45.677 . . 1 . . . . . 163 G CA . 51781 1 495 . 1 . 1 163 163 GLY N N 15 107.262 . . 1 . . . . . 163 G N . 51781 1 496 . 1 . 1 164 164 THR H H 1 7.658 . . 1 . . . . . 164 T HN . 51781 1 497 . 1 . 1 164 164 THR C C 13 174.643 . . 1 . . . . . 164 T C . 51781 1 498 . 1 . 1 164 164 THR CA C 13 66.478 . . 1 . . . . . 164 T CA . 51781 1 499 . 1 . 1 164 164 THR CB C 13 68.883 . . 1 . . . . . 164 T CB . 51781 1 500 . 1 . 1 164 164 THR N N 15 125.734 . . 1 . . . . . 164 T N . 51781 1 501 . 1 . 1 165 165 CYS H H 1 9.293 . . 1 . . . . . 165 C HN . 51781 1 502 . 1 . 1 165 165 CYS CA C 13 60.430 . . 1 . . . . . 165 C CA . 51781 1 503 . 1 . 1 165 165 CYS CB C 13 41.429 . . 1 . . . . . 165 C CB . 51781 1 504 . 1 . 1 165 165 CYS N N 15 119.910 . . 1 . . . . . 165 C N . 51781 1 505 . 1 . 1 166 166 VAL C C 13 177.445 . . 1 . . . . . 166 V C . 51781 1 506 . 1 . 1 167 167 GLU H H 1 8.719 . . 1 . . . . . 167 E HN . 51781 1 507 . 1 . 1 167 167 GLU C C 13 180.138 . . 1 . . . . . 167 E C . 51781 1 508 . 1 . 1 167 167 GLU CA C 13 58.922 . . 1 . . . . . 167 E CA . 51781 1 509 . 1 . 1 167 167 GLU CB C 13 28.722 . . 1 . . . . . 167 E CB . 51781 1 510 . 1 . 1 167 167 GLU N N 15 120.446 . . 1 . . . . . 167 E N . 51781 1 511 . 1 . 1 168 168 TRP H H 1 8.546 . . 1 . . . . . 168 W HN . 51781 1 512 . 1 . 1 168 168 TRP C C 13 175.520 . . 1 . . . . . 168 W C . 51781 1 513 . 1 . 1 168 168 TRP CA C 13 61.297 . . 1 . . . . . 168 W CA . 51781 1 514 . 1 . 1 168 168 TRP CB C 13 26.739 . . 1 . . . . . 168 W CB . 51781 1 515 . 1 . 1 168 168 TRP N N 15 120.299 . . 1 . . . . . 168 W N . 51781 1 516 . 1 . 1 169 169 LEU H H 1 8.132 . . 1 . . . . . 169 L HN . 51781 1 517 . 1 . 1 169 169 LEU C C 13 178.110 . . 1 . . . . . 169 L C . 51781 1 518 . 1 . 1 169 169 LEU CA C 13 58.589 . . 1 . . . . . 169 L CA . 51781 1 519 . 1 . 1 169 169 LEU CB C 13 40.013 . . 1 . . . . . 169 L CB . 51781 1 520 . 1 . 1 169 169 LEU N N 15 121.718 . . 1 . . . . . 169 L N . 51781 1 521 . 1 . 1 170 170 ARG H H 1 7.770 . . 1 . . . . . 170 R HN . 51781 1 522 . 1 . 1 170 170 ARG C C 13 177.797 . . 1 . . . . . 170 R C . 51781 1 523 . 1 . 1 170 170 ARG CA C 13 59.743 . . 1 . . . . . 170 R CA . 51781 1 524 . 1 . 1 170 170 ARG CB C 13 29.164 . . 1 . . . . . 170 R CB . 51781 1 525 . 1 . 1 170 170 ARG N N 15 116.134 . . 1 . . . . . 170 R N . 51781 1 526 . 1 . 1 171 171 ARG H H 1 6.994 . . 1 . . . . . 171 R HN . 51781 1 527 . 1 . 1 171 171 ARG CA C 13 58.727 . . 1 . . . . . 171 R CA . 51781 1 528 . 1 . 1 171 171 ARG CB C 13 28.773 . . 1 . . . . . 171 R CB . 51781 1 529 . 1 . 1 171 171 ARG N N 15 120.627 . . 1 . . . . . 171 R N . 51781 1 530 . 1 . 1 176 176 GLY C C 13 174.843 . . 1 . . . . . 176 G C . 51781 1 531 . 1 . 1 177 177 LYS H H 1 6.763 . . 1 . . . . . 177 K HN . 51781 1 532 . 1 . 1 177 177 LYS C C 13 177.303 . . 1 . . . . . 177 K C . 51781 1 533 . 1 . 1 177 177 LYS CA C 13 60.622 . . 1 . . . . . 177 K CA . 51781 1 534 . 1 . 1 177 177 LYS CB C 13 32.045 . . 1 . . . . . 177 K CB . 51781 1 535 . 1 . 1 177 177 LYS N N 15 122.547 . . 1 . . . . . 177 K N . 51781 1 536 . 1 . 1 178 178 GLU H H 1 8.651 . . 1 . . . . . 178 E HN . 51781 1 537 . 1 . 1 178 178 GLU CA C 13 59.168 . . 1 . . . . . 178 E CA . 51781 1 538 . 1 . 1 178 178 GLU CB C 13 28.368 . . 1 . . . . . 178 E CB . 51781 1 539 . 1 . 1 178 178 GLU N N 15 118.184 . . 1 . . . . . 178 E N . 51781 1 540 . 1 . 1 182 182 ARG C C 13 174.643 . . 1 . . . . . 182 R C . 51781 1 541 . 1 . 1 183 183 THR H H 1 8.440 . . 1 . . . . . 183 T HN . 51781 1 542 . 1 . 1 183 183 THR C C 13 173.763 . . 1 . . . . . 183 T C . 51781 1 543 . 1 . 1 183 183 THR CA C 13 59.931 . . 1 . . . . . 183 T CA . 51781 1 544 . 1 . 1 183 183 THR CB C 13 70.184 . . 1 . . . . . 183 T CB . 51781 1 545 . 1 . 1 183 183 THR N N 15 115.106 . . 1 . . . . . 183 T N . 51781 1 546 . 1 . 1 184 184 ASP H H 1 9.509 . . 1 . . . . . 184 D HN . 51781 1 547 . 1 . 1 184 184 ASP C C 13 174.690 . . 1 . . . . . 184 D C . 51781 1 548 . 1 . 1 184 184 ASP CA C 13 52.936 . . 1 . . . . . 184 D CA . 51781 1 549 . 1 . 1 184 184 ASP CB C 13 41.418 . . 1 . . . . . 184 D CB . 51781 1 550 . 1 . 1 184 184 ASP N N 15 127.703 . . 1 . . . . . 184 D N . 51781 1 551 . 1 . 1 185 185 ALA H H 1 8.677 . . 1 . . . . . 185 A HN . 51781 1 552 . 1 . 1 185 185 ALA CA C 13 49.792 . . 1 . . . . . 185 A CA . 51781 1 553 . 1 . 1 185 185 ALA CB C 13 16.583 . . 1 . . . . . 185 A CB . 51781 1 554 . 1 . 1 185 185 ALA N N 15 126.067 . . 1 . . . . . 185 A N . 51781 1 555 . 1 . 1 186 186 PRO C C 13 176.245 . . 1 . . . . . 186 P C . 51781 1 556 . 1 . 1 187 187 LYS H H 1 9.242 . . 1 . . . . . 187 K HN . 51781 1 557 . 1 . 1 187 187 LYS C C 13 178.141 . . 1 . . . . . 187 K C . 51781 1 558 . 1 . 1 187 187 LYS CA C 13 55.603 . . 1 . . . . . 187 K CA . 51781 1 559 . 1 . 1 187 187 LYS CB C 13 31.216 . . 1 . . . . . 187 K CB . 51781 1 560 . 1 . 1 187 187 LYS N N 15 125.323 . . 1 . . . . . 187 K N . 51781 1 561 . 1 . 1 188 188 THR H H 1 8.427 . . 1 . . . . . 188 T HN . 51781 1 562 . 1 . 1 188 188 THR C C 13 174.371 . . 1 . . . . . 188 T C . 51781 1 563 . 1 . 1 188 188 THR CA C 13 59.174 . . 1 . . . . . 188 T CA . 51781 1 564 . 1 . 1 188 188 THR CB C 13 71.283 . . 1 . . . . . 188 T CB . 51781 1 565 . 1 . 1 188 188 THR N N 15 117.398 . . 1 . . . . . 188 T N . 51781 1 566 . 1 . 1 189 189 HIS H H 1 8.106 . . 1 . . . . . 189 H HN . 51781 1 567 . 1 . 1 189 189 HIS C C 13 171.488 . . 1 . . . . . 189 H C . 51781 1 568 . 1 . 1 189 189 HIS CA C 13 56.159 . . 1 . . . . . 189 H CA . 51781 1 569 . 1 . 1 189 189 HIS CB C 13 31.457 . . 1 . . . . . 189 H CB . 51781 1 570 . 1 . 1 189 189 HIS N N 15 116.043 . . 1 . . . . . 189 H N . 51781 1 571 . 1 . 1 190 190 MET H H 1 8.814 . . 1 . . . . . 190 M HN . 51781 1 572 . 1 . 1 190 190 MET C C 13 175.907 . . 1 . . . . . 190 M C . 51781 1 573 . 1 . 1 190 190 MET CA C 13 53.768 . . 1 . . . . . 190 M CA . 51781 1 574 . 1 . 1 190 190 MET CB C 13 37.079 . . 1 . . . . . 190 M CB . 51781 1 575 . 1 . 1 190 190 MET N N 15 121.401 . . 1 . . . . . 190 M N . 51781 1 576 . 1 . 1 191 191 THR H H 1 9.539 . . 1 . . . . . 191 T HN . 51781 1 577 . 1 . 1 191 191 THR C C 13 172.058 . . 1 . . . . . 191 T C . 51781 1 578 . 1 . 1 191 191 THR CA C 13 60.255 . . 1 . . . . . 191 T CA . 51781 1 579 . 1 . 1 191 191 THR CB C 13 70.302 . . 1 . . . . . 191 T CB . 51781 1 580 . 1 . 1 191 191 THR N N 15 116.779 . . 1 . . . . . 191 T N . 51781 1 581 . 1 . 1 192 192 HIS H H 1 8.033 . . 1 . . . . . 192 H HN . 51781 1 582 . 1 . 1 192 192 HIS C C 13 173.947 . . 1 . . . . . 192 H C . 51781 1 583 . 1 . 1 192 192 HIS CA C 13 54.746 . . 1 . . . . . 192 H CA . 51781 1 584 . 1 . 1 192 192 HIS CB C 13 33.271 . . 1 . . . . . 192 H CB . 51781 1 585 . 1 . 1 192 192 HIS N N 15 121.854 . . 1 . . . . . 192 H N . 51781 1 586 . 1 . 1 193 193 HIS H H 1 8.109 . . 1 . . . . . 193 H HN . 51781 1 587 . 1 . 1 193 193 HIS CA C 13 53.994 . . 1 . . . . . 193 H CA . 51781 1 588 . 1 . 1 193 193 HIS CB C 13 31.166 . . 1 . . . . . 193 H CB . 51781 1 589 . 1 . 1 193 193 HIS N N 15 123.575 . . 1 . . . . . 193 H N . 51781 1 590 . 1 . 1 194 194 ALA C C 13 177.538 . . 1 . . . . . 194 A C . 51781 1 591 . 1 . 1 195 195 VAL H H 1 8.196 . . 1 . . . . . 195 V HN . 51781 1 592 . 1 . 1 195 195 VAL C C 13 175.184 . . 1 . . . . . 195 V C . 51781 1 593 . 1 . 1 195 195 VAL CA C 13 62.565 . . 1 . . . . . 195 V CA . 51781 1 594 . 1 . 1 195 195 VAL CB C 13 32.276 . . 1 . . . . . 195 V CB . 51781 1 595 . 1 . 1 195 195 VAL N N 15 122.261 . . 1 . . . . . 195 V N . 51781 1 596 . 1 . 1 196 196 SER H H 1 8.144 . . 1 . . . . . 196 S HN . 51781 1 597 . 1 . 1 196 196 SER CA C 13 56.463 . . 1 . . . . . 196 S CA . 51781 1 598 . 1 . 1 196 196 SER CB C 13 64.432 . . 1 . . . . . 196 S CB . 51781 1 599 . 1 . 1 196 196 SER N N 15 116.243 . . 1 . . . . . 196 S N . 51781 1 600 . 1 . 1 197 197 ASP C C 13 176.466 . . 1 . . . . . 197 D C . 51781 1 601 . 1 . 1 198 198 HIS H H 1 8.022 . . 1 . . . . . 198 H HN . 51781 1 602 . 1 . 1 198 198 HIS C C 13 175.359 . . 1 . . . . . 198 H C . 51781 1 603 . 1 . 1 198 198 HIS CA C 13 55.840 . . 1 . . . . . 198 H CA . 51781 1 604 . 1 . 1 198 198 HIS CB C 13 31.231 . . 1 . . . . . 198 H CB . 51781 1 605 . 1 . 1 198 198 HIS N N 15 113.968 . . 1 . . . . . 198 H N . 51781 1 606 . 1 . 1 199 199 GLU H H 1 7.243 . . 1 . . . . . 199 E HN . 51781 1 607 . 1 . 1 199 199 GLU C C 13 174.113 . . 1 . . . . . 199 E C . 51781 1 608 . 1 . 1 199 199 GLU CA C 13 55.069 . . 1 . . . . . 199 E CA . 51781 1 609 . 1 . 1 199 199 GLU CB C 13 33.861 . . 1 . . . . . 199 E CB . 51781 1 610 . 1 . 1 199 199 GLU N N 15 121.440 . . 1 . . . . . 199 E N . 51781 1 611 . 1 . 1 200 200 ALA H H 1 9.010 . . 1 . . . . . 200 A HN . 51781 1 612 . 1 . 1 200 200 ALA C C 13 174.484 . . 1 . . . . . 200 A C . 51781 1 613 . 1 . 1 200 200 ALA CA C 13 50.326 . . 1 . . . . . 200 A CA . 51781 1 614 . 1 . 1 200 200 ALA CB C 13 21.920 . . 1 . . . . . 200 A CB . 51781 1 615 . 1 . 1 200 200 ALA N N 15 124.649 . . 1 . . . . . 200 A N . 51781 1 616 . 1 . 1 201 201 THR H H 1 8.831 . . 1 . . . . . 201 T HN . 51781 1 617 . 1 . 1 201 201 THR C C 13 174.289 . . 1 . . . . . 201 T C . 51781 1 618 . 1 . 1 201 201 THR CA C 13 61.220 . . 1 . . . . . 201 T CA . 51781 1 619 . 1 . 1 201 201 THR CB C 13 69.538 . . 1 . . . . . 201 T CB . 51781 1 620 . 1 . 1 201 201 THR N N 15 117.784 . . 1 . . . . . 201 T N . 51781 1 621 . 1 . 1 202 202 LEU H H 1 8.439 . . 1 . . . . . 202 L HN . 51781 1 622 . 1 . 1 202 202 LEU C C 13 174.920 . . 1 . . . . . 202 L C . 51781 1 623 . 1 . 1 202 202 LEU CA C 13 52.507 . . 1 . . . . . 202 L CA . 51781 1 624 . 1 . 1 202 202 LEU CB C 13 43.047 . . 1 . . . . . 202 L CB . 51781 1 625 . 1 . 1 202 202 LEU N N 15 127.248 . . 1 . . . . . 202 L N . 51781 1 626 . 1 . 1 203 203 ARG H H 1 8.803 . . 1 . . . . . 203 R HN . 51781 1 627 . 1 . 1 203 203 ARG C C 13 172.693 . . 1 . . . . . 203 R C . 51781 1 628 . 1 . 1 203 203 ARG CA C 13 55.171 . . 1 . . . . . 203 R CA . 51781 1 629 . 1 . 1 203 203 ARG CB C 13 31.135 . . 1 . . . . . 203 R CB . 51781 1 630 . 1 . 1 203 203 ARG N N 15 123.672 . . 1 . . . . . 203 R N . 51781 1 631 . 1 . 1 204 204 CYS H H 1 9.603 . . 1 . . . . . 204 C HN . 51781 1 632 . 1 . 1 204 204 CYS C C 13 172.087 . . 1 . . . . . 204 C C . 51781 1 633 . 1 . 1 204 204 CYS CA C 13 53.476 . . 1 . . . . . 204 C CA . 51781 1 634 . 1 . 1 204 204 CYS CB C 13 41.835 . . 1 . . . . . 204 C CB . 51781 1 635 . 1 . 1 204 204 CYS N N 15 128.825 . . 1 . . . . . 204 C N . 51781 1 636 . 1 . 1 205 205 TRP H H 1 9.076 . . 1 . . . . . 205 W HN . 51781 1 637 . 1 . 1 205 205 TRP C C 13 174.467 . . 1 . . . . . 205 W C . 51781 1 638 . 1 . 1 205 205 TRP CA C 13 57.278 . . 1 . . . . . 205 W CA . 51781 1 639 . 1 . 1 205 205 TRP CB C 13 31.365 . . 1 . . . . . 205 W CB . 51781 1 640 . 1 . 1 205 205 TRP N N 15 126.263 . . 1 . . . . . 205 W N . 51781 1 641 . 1 . 1 206 206 ALA H H 1 8.854 . . 1 . . . . . 206 A HN . 51781 1 642 . 1 . 1 206 206 ALA C C 13 175.033 . . 1 . . . . . 206 A C . 51781 1 643 . 1 . 1 206 206 ALA CA C 13 50.654 . . 1 . . . . . 206 A CA . 51781 1 644 . 1 . 1 206 206 ALA CB C 13 21.844 . . 1 . . . . . 206 A CB . 51781 1 645 . 1 . 1 206 206 ALA N N 15 120.825 . . 1 . . . . . 206 A N . 51781 1 646 . 1 . 1 207 207 LEU H H 1 9.058 . . 1 . . . . . 207 L HN . 51781 1 647 . 1 . 1 207 207 LEU C C 13 176.612 . . 1 . . . . . 207 L C . 51781 1 648 . 1 . 1 207 207 LEU CA C 13 53.498 . . 1 . . . . . 207 L CA . 51781 1 649 . 1 . 1 207 207 LEU CB C 13 45.603 . . 1 . . . . . 207 L CB . 51781 1 650 . 1 . 1 207 207 LEU N N 15 121.902 . . 1 . . . . . 207 L N . 51781 1 651 . 1 . 1 208 208 SER H H 1 8.372 . . 1 . . . . . 208 S HN . 51781 1 652 . 1 . 1 208 208 SER C C 13 173.693 . . 1 . . . . . 208 S C . 51781 1 653 . 1 . 1 208 208 SER CA C 13 57.784 . . 1 . . . . . 208 S CA . 51781 1 654 . 1 . 1 208 208 SER CB C 13 61.234 . . 1 . . . . . 208 S CB . 51781 1 655 . 1 . 1 208 208 SER N N 15 115.667 . . 1 . . . . . 208 S N . 51781 1 656 . 1 . 1 209 209 PHE H H 1 7.606 . . 1 . . . . . 209 F HN . 51781 1 657 . 1 . 1 209 209 PHE C C 13 175.028 . . 1 . . . . . 209 F C . 51781 1 658 . 1 . 1 209 209 PHE CA C 13 53.527 . . 1 . . . . . 209 F CA . 51781 1 659 . 1 . 1 209 209 PHE CB C 13 41.176 . . 1 . . . . . 209 F CB . 51781 1 660 . 1 . 1 209 209 PHE N N 15 112.604 . . 1 . . . . . 209 F N . 51781 1 661 . 1 . 1 210 210 TYR H H 1 8.844 . . 1 . . . . . 210 Y HN . 51781 1 662 . 1 . 1 210 210 TYR CA C 13 58.426 . . 1 . . . . . 210 Y CA . 51781 1 663 . 1 . 1 210 210 TYR CB C 13 42.257 . . 1 . . . . . 210 Y CB . 51781 1 664 . 1 . 1 210 210 TYR N N 15 120.230 . . 1 . . . . . 210 Y N . 51781 1 665 . 1 . 1 211 211 PRO C C 13 174.906 . . 1 . . . . . 211 P C . 51781 1 666 . 1 . 1 212 212 ALA H H 1 7.983 . . 1 . . . . . 212 A HN . 51781 1 667 . 1 . 1 212 212 ALA C C 13 177.820 . . 1 . . . . . 212 A C . 51781 1 668 . 1 . 1 212 212 ALA CA C 13 54.278 . . 1 . . . . . 212 A CA . 51781 1 669 . 1 . 1 212 212 ALA CB C 13 16.746 . . 1 . . . . . 212 A CB . 51781 1 670 . 1 . 1 212 212 ALA N N 15 119.724 . . 1 . . . . . 212 A N . 51781 1 671 . 1 . 1 213 213 GLU H H 1 7.229 . . 1 . . . . . 213 E HN . 51781 1 672 . 1 . 1 213 213 GLU C C 13 173.523 . . 1 . . . . . 213 E C . 51781 1 673 . 1 . 1 213 213 GLU CA C 13 57.387 . . 1 . . . . . 213 E CA . 51781 1 674 . 1 . 1 213 213 GLU CB C 13 28.300 . . 1 . . . . . 213 E CB . 51781 1 675 . 1 . 1 213 213 GLU N N 15 119.126 . . 1 . . . . . 213 E N . 51781 1 676 . 1 . 1 214 214 ILE H H 1 7.329 . . 1 . . . . . 214 I HN . 51781 1 677 . 1 . 1 214 214 ILE C C 13 172.678 . . 1 . . . . . 214 I C . 51781 1 678 . 1 . 1 214 214 ILE CA C 13 60.426 . . 1 . . . . . 214 I CA . 51781 1 679 . 1 . 1 214 214 ILE CB C 13 39.109 . . 1 . . . . . 214 I CB . 51781 1 680 . 1 . 1 214 214 ILE N N 15 124.922 . . 1 . . . . . 214 I N . 51781 1 681 . 1 . 1 215 215 THR H H 1 8.080 . . 1 . . . . . 215 T HN . 51781 1 682 . 1 . 1 215 215 THR C C 13 172.332 . . 1 . . . . . 215 T C . 51781 1 683 . 1 . 1 215 215 THR CA C 13 61.816 . . 1 . . . . . 215 T CA . 51781 1 684 . 1 . 1 215 215 THR CB C 13 70.374 . . 1 . . . . . 215 T CB . 51781 1 685 . 1 . 1 215 215 THR N N 15 120.309 . . 1 . . . . . 215 T N . 51781 1 686 . 1 . 1 216 216 LEU H H 1 8.629 . . 1 . . . . . 216 L HN . 51781 1 687 . 1 . 1 216 216 LEU C C 13 175.421 . . 1 . . . . . 216 L C . 51781 1 688 . 1 . 1 216 216 LEU CA C 13 53.554 . . 1 . . . . . 216 L CA . 51781 1 689 . 1 . 1 216 216 LEU CB C 13 44.172 . . 1 . . . . . 216 L CB . 51781 1 690 . 1 . 1 216 216 LEU N N 15 128.943 . . 1 . . . . . 216 L N . 51781 1 691 . 1 . 1 217 217 THR H H 1 8.506 . . 1 . . . . . 217 T HN . 51781 1 692 . 1 . 1 217 217 THR C C 13 172.785 . . 1 . . . . . 217 T C . 51781 1 693 . 1 . 1 217 217 THR CA C 13 59.860 . . 1 . . . . . 217 T CA . 51781 1 694 . 1 . 1 217 217 THR CB C 13 71.813 . . 1 . . . . . 217 T CB . 51781 1 695 . 1 . 1 217 217 THR N N 15 115.362 . . 1 . . . . . 217 T N . 51781 1 696 . 1 . 1 218 218 TRP H H 1 9.042 . . 1 . . . . . 218 W HN . 51781 1 697 . 1 . 1 218 218 TRP C C 13 176.312 . . 1 . . . . . 218 W C . 51781 1 698 . 1 . 1 218 218 TRP CA C 13 56.187 . . 1 . . . . . 218 W CA . 51781 1 699 . 1 . 1 218 218 TRP CB C 13 32.107 . . 1 . . . . . 218 W CB . 51781 1 700 . 1 . 1 218 218 TRP N N 15 121.780 . . 1 . . . . . 218 W N . 51781 1 701 . 1 . 1 219 219 GLN H H 1 9.732 . . 1 . . . . . 219 Q HN . 51781 1 702 . 1 . 1 219 219 GLN C C 13 174.870 . . 1 . . . . . 219 Q C . 51781 1 703 . 1 . 1 219 219 GLN CA C 13 53.978 . . 1 . . . . . 219 Q CA . 51781 1 704 . 1 . 1 219 219 GLN CB C 13 31.860 . . 1 . . . . . 219 Q CB . 51781 1 705 . 1 . 1 219 219 GLN N N 15 119.197 . . 1 . . . . . 219 Q N . 51781 1 706 . 1 . 1 220 220 ARG H H 1 8.576 . . 1 . . . . . 220 R HN . 51781 1 707 . 1 . 1 220 220 ARG C C 13 176.502 . . 1 . . . . . 220 R C . 51781 1 708 . 1 . 1 220 220 ARG CA C 13 54.175 . . 1 . . . . . 220 R CA . 51781 1 709 . 1 . 1 220 220 ARG CB C 13 31.685 . . 1 . . . . . 220 R CB . 51781 1 710 . 1 . 1 220 220 ARG N N 15 121.038 . . 1 . . . . . 220 R N . 51781 1 711 . 1 . 1 221 221 ASP H H 1 9.236 . . 1 . . . . . 221 D HN . 51781 1 712 . 1 . 1 221 221 ASP C C 13 176.015 . . 1 . . . . . 221 D C . 51781 1 713 . 1 . 1 221 221 ASP CA C 13 55.243 . . 1 . . . . . 221 D CA . 51781 1 714 . 1 . 1 221 221 ASP CB C 13 39.196 . . 1 . . . . . 221 D CB . 51781 1 715 . 1 . 1 221 221 ASP N N 15 129.250 . . 1 . . . . . 221 D N . 51781 1 716 . 1 . 1 222 222 GLY H H 1 8.399 . . 1 . . . . . 222 G HN . 51781 1 717 . 1 . 1 222 222 GLY C C 13 173.398 . . 1 . . . . . 222 G C . 51781 1 718 . 1 . 1 222 222 GLY CA C 13 45.179 . . 1 . . . . . 222 G CA . 51781 1 719 . 1 . 1 222 222 GLY N N 15 103.449 . . 1 . . . . . 222 G N . 51781 1 720 . 1 . 1 223 223 GLU H H 1 7.726 . . 1 . . . . . 223 E HN . 51781 1 721 . 1 . 1 223 223 GLU C C 13 176.659 . . 1 . . . . . 223 E C . 51781 1 722 . 1 . 1 223 223 GLU CA C 13 54.106 . . 1 . . . . . 223 E CA . 51781 1 723 . 1 . 1 223 223 GLU CB C 13 30.709 . . 1 . . . . . 223 E CB . 51781 1 724 . 1 . 1 223 223 GLU N N 15 119.904 . . 1 . . . . . 223 E N . 51781 1 725 . 1 . 1 224 224 ASP H H 1 8.886 . . 1 . . . . . 224 D HN . 51781 1 726 . 1 . 1 224 224 ASP C C 13 176.417 . . 1 . . . . . 224 D C . 51781 1 727 . 1 . 1 224 224 ASP CA C 13 56.173 . . 1 . . . . . 224 D CA . 51781 1 728 . 1 . 1 224 224 ASP CB C 13 40.507 . . 1 . . . . . 224 D CB . 51781 1 729 . 1 . 1 224 224 ASP N N 15 127.139 . . 1 . . . . . 224 D N . 51781 1 730 . 1 . 1 225 225 GLN H H 1 8.697 . . 1 . . . . . 225 Q HN . 51781 1 731 . 1 . 1 225 225 GLN CA C 13 53.692 . . 1 . . . . . 225 Q CA . 51781 1 732 . 1 . 1 225 225 GLN CB C 13 28.864 . . 1 . . . . . 225 Q CB . 51781 1 733 . 1 . 1 225 225 GLN N N 15 123.756 . . 1 . . . . . 225 Q N . 51781 1 734 . 1 . 1 227 227 GLN C C 13 175.799 . . 1 . . . . . 227 Q C . 51781 1 735 . 1 . 1 228 228 ASP H H 1 8.189 . . 1 . . . . . 228 D HN . 51781 1 736 . 1 . 1 228 228 ASP C C 13 175.139 . . 1 . . . . . 228 D C . 51781 1 737 . 1 . 1 228 228 ASP CA C 13 54.831 . . 1 . . . . . 228 D CA . 51781 1 738 . 1 . 1 228 228 ASP CB C 13 40.520 . . 1 . . . . . 228 D CB . 51781 1 739 . 1 . 1 228 228 ASP N N 15 118.258 . . 1 . . . . . 228 D N . 51781 1 740 . 1 . 1 229 229 THR H H 1 7.446 . . 1 . . . . . 229 T HN . 51781 1 741 . 1 . 1 229 229 THR C C 13 173.913 . . 1 . . . . . 229 T C . 51781 1 742 . 1 . 1 229 229 THR CA C 13 61.399 . . 1 . . . . . 229 T CA . 51781 1 743 . 1 . 1 229 229 THR CB C 13 70.618 . . 1 . . . . . 229 T CB . 51781 1 744 . 1 . 1 229 229 THR N N 15 113.067 . . 1 . . . . . 229 T N . 51781 1 745 . 1 . 1 230 230 GLU H H 1 9.169 . . 1 . . . . . 230 E HN . 51781 1 746 . 1 . 1 230 230 GLU C C 13 174.052 . . 1 . . . . . 230 E C . 51781 1 747 . 1 . 1 230 230 GLU CA C 13 55.152 . . 1 . . . . . 230 E CA . 51781 1 748 . 1 . 1 230 230 GLU CB C 13 31.272 . . 1 . . . . . 230 E CB . 51781 1 749 . 1 . 1 230 230 GLU N N 15 126.928 . . 1 . . . . . 230 E N . 51781 1 750 . 1 . 1 231 231 LEU H H 1 8.672 . . 1 . . . . . 231 L HN . 51781 1 751 . 1 . 1 231 231 LEU C C 13 176.674 . . 1 . . . . . 231 L C . 51781 1 752 . 1 . 1 231 231 LEU CA C 13 53.717 . . 1 . . . . . 231 L CA . 51781 1 753 . 1 . 1 231 231 LEU CB C 13 44.293 . . 1 . . . . . 231 L CB . 51781 1 754 . 1 . 1 231 231 LEU N N 15 128.288 . . 1 . . . . . 231 L N . 51781 1 755 . 1 . 1 232 232 VAL H H 1 6.541 . . 1 . . . . . 232 V HN . 51781 1 756 . 1 . 1 232 232 VAL C C 13 175.654 . . 1 . . . . . 232 V C . 51781 1 757 . 1 . 1 232 232 VAL CA C 13 58.882 . . 1 . . . . . 232 V CA . 51781 1 758 . 1 . 1 232 232 VAL CB C 13 31.907 . . 1 . . . . . 232 V CB . 51781 1 759 . 1 . 1 232 232 VAL N N 15 116.207 . . 1 . . . . . 232 V N . 51781 1 760 . 1 . 1 233 233 GLU H H 1 8.141 . . 1 . . . . . 233 E HN . 51781 1 761 . 1 . 1 233 233 GLU C C 13 175.819 . . 1 . . . . . 233 E C . 51781 1 762 . 1 . 1 233 233 GLU CA C 13 56.164 . . 1 . . . . . 233 E CA . 51781 1 763 . 1 . 1 233 233 GLU CB C 13 28.900 . . 1 . . . . . 233 E CB . 51781 1 764 . 1 . 1 233 233 GLU N N 15 123.532 . . 1 . . . . . 233 E N . 51781 1 765 . 1 . 1 234 234 THR H H 1 8.583 . . 1 . . . . . 234 T HN . 51781 1 766 . 1 . 1 234 234 THR C C 13 173.841 . . 1 . . . . . 234 T C . 51781 1 767 . 1 . 1 234 234 THR CA C 13 64.248 . . 1 . . . . . 234 T CA . 51781 1 768 . 1 . 1 234 234 THR CB C 13 68.037 . . 1 . . . . . 234 T CB . 51781 1 769 . 1 . 1 234 234 THR N N 15 122.363 . . 1 . . . . . 234 T N . 51781 1 770 . 1 . 1 235 235 ARG H H 1 8.818 . . 1 . . . . . 235 R HN . 51781 1 771 . 1 . 1 235 235 ARG CA C 13 50.538 . . 1 . . . . . 235 R CA . 51781 1 772 . 1 . 1 235 235 ARG CB C 13 29.848 . . 1 . . . . . 235 R CB . 51781 1 773 . 1 . 1 235 235 ARG N N 15 125.110 . . 1 . . . . . 235 R N . 51781 1 774 . 1 . 1 236 236 PRO C C 13 177.358 . . 1 . . . . . 236 P C . 51781 1 775 . 1 . 1 237 237 ALA H H 1 8.744 . . 1 . . . . . 237 A HN . 51781 1 776 . 1 . 1 237 237 ALA C C 13 178.119 . . 1 . . . . . 237 A C . 51781 1 777 . 1 . 1 237 237 ALA CA C 13 53.389 . . 1 . . . . . 237 A CA . 51781 1 778 . 1 . 1 237 237 ALA CB C 13 19.336 . . 1 . . . . . 237 A CB . 51781 1 779 . 1 . 1 237 237 ALA N N 15 125.607 . . 1 . . . . . 237 A N . 51781 1 780 . 1 . 1 238 238 GLY H H 1 8.538 . . 1 . . . . . 238 G HN . 51781 1 781 . 1 . 1 238 238 GLY CA C 13 43.688 . . 1 . . . . . 238 G CA . 51781 1 782 . 1 . 1 238 238 GLY N N 15 105.947 . . 1 . . . . . 238 G N . 51781 1 783 . 1 . 1 239 239 ASP C C 13 176.206 . . 1 . . . . . 239 D C . 51781 1 784 . 1 . 1 240 240 GLY H H 1 8.206 . . 1 . . . . . 240 G HN . 51781 1 785 . 1 . 1 240 240 GLY C C 13 173.504 . . 1 . . . . . 240 G C . 51781 1 786 . 1 . 1 240 240 GLY CA C 13 44.381 . . 1 . . . . . 240 G CA . 51781 1 787 . 1 . 1 240 240 GLY N N 15 109.633 . . 1 . . . . . 240 G N . 51781 1 788 . 1 . 1 241 241 THR H H 1 7.412 . . 1 . . . . . 241 T HN . 51781 1 789 . 1 . 1 241 241 THR C C 13 174.311 . . 1 . . . . . 241 T C . 51781 1 790 . 1 . 1 241 241 THR CA C 13 59.993 . . 1 . . . . . 241 T CA . 51781 1 791 . 1 . 1 241 241 THR CB C 13 71.122 . . 1 . . . . . 241 T CB . 51781 1 792 . 1 . 1 241 241 THR N N 15 109.722 . . 1 . . . . . 241 T N . 51781 1 793 . 1 . 1 242 242 PHE H H 1 8.612 . . 1 . . . . . 242 F HN . 51781 1 794 . 1 . 1 242 242 PHE C C 13 171.733 . . 1 . . . . . 242 F C . 51781 1 795 . 1 . 1 242 242 PHE CA C 13 57.527 . . 1 . . . . . 242 F CA . 51781 1 796 . 1 . 1 242 242 PHE CB C 13 43.006 . . 1 . . . . . 242 F CB . 51781 1 797 . 1 . 1 242 242 PHE N N 15 120.254 . . 1 . . . . . 242 F N . 51781 1 798 . 1 . 1 243 243 GLN H H 1 8.412 . . 1 . . . . . 243 Q HN . 51781 1 799 . 1 . 1 243 243 GLN C C 13 175.606 . . 1 . . . . . 243 Q C . 51781 1 800 . 1 . 1 243 243 GLN CA C 13 52.935 . . 1 . . . . . 243 Q CA . 51781 1 801 . 1 . 1 243 243 GLN CB C 13 32.595 . . 1 . . . . . 243 Q CB . 51781 1 802 . 1 . 1 243 243 GLN N N 15 111.151 . . 1 . . . . . 243 Q N . 51781 1 803 . 1 . 1 244 244 LYS H H 1 9.481 . . 1 . . . . . 244 K HN . 51781 1 804 . 1 . 1 244 244 LYS C C 13 171.980 . . 1 . . . . . 244 K C . 51781 1 805 . 1 . 1 244 244 LYS CA C 13 57.282 . . 1 . . . . . 244 K CA . 51781 1 806 . 1 . 1 244 244 LYS CB C 13 37.956 . . 1 . . . . . 244 K CB . 51781 1 807 . 1 . 1 244 244 LYS N N 15 120.783 . . 1 . . . . . 244 K N . 51781 1 808 . 1 . 1 245 245 TRP H H 1 6.082 . . 1 . . . . . 245 W HN . 51781 1 809 . 1 . 1 245 245 TRP C C 13 173.885 . . 1 . . . . . 245 W C . 51781 1 810 . 1 . 1 245 245 TRP CA C 13 54.750 . . 1 . . . . . 245 W CA . 51781 1 811 . 1 . 1 245 245 TRP CB C 13 33.003 . . 1 . . . . . 245 W CB . 51781 1 812 . 1 . 1 245 245 TRP N N 15 116.617 . . 1 . . . . . 245 W N . 51781 1 813 . 1 . 1 246 246 ALA H H 1 8.647 . . 1 . . . . . 246 A HN . 51781 1 814 . 1 . 1 246 246 ALA C C 13 177.183 . . 1 . . . . . 246 A C . 51781 1 815 . 1 . 1 246 246 ALA CA C 13 50.458 . . 1 . . . . . 246 A CA . 51781 1 816 . 1 . 1 246 246 ALA CB C 13 23.180 . . 1 . . . . . 246 A CB . 51781 1 817 . 1 . 1 246 246 ALA N N 15 119.215 . . 1 . . . . . 246 A N . 51781 1 818 . 1 . 1 247 247 ALA H H 1 10.521 . . 1 . . . . . 247 A HN . 51781 1 819 . 1 . 1 247 247 ALA C C 13 174.753 . . 1 . . . . . 247 A C . 51781 1 820 . 1 . 1 247 247 ALA CA C 13 50.635 . . 1 . . . . . 247 A CA . 51781 1 821 . 1 . 1 247 247 ALA CB C 13 23.608 . . 1 . . . . . 247 A CB . 51781 1 822 . 1 . 1 247 247 ALA N N 15 130.518 . . 1 . . . . . 247 A N . 51781 1 823 . 1 . 1 248 248 VAL H H 1 8.182 . . 1 . . . . . 248 V HN . 51781 1 824 . 1 . 1 248 248 VAL C C 13 172.331 . . 1 . . . . . 248 V C . 51781 1 825 . 1 . 1 248 248 VAL CA C 13 58.876 . . 1 . . . . . 248 V CA . 51781 1 826 . 1 . 1 248 248 VAL CB C 13 34.416 . . 1 . . . . . 248 V CB . 51781 1 827 . 1 . 1 248 248 VAL N N 15 117.550 . . 1 . . . . . 248 V N . 51781 1 828 . 1 . 1 249 249 VAL H H 1 7.769 . . 1 . . . . . 249 V HN . 51781 1 829 . 1 . 1 249 249 VAL C C 13 175.856 . . 1 . . . . . 249 V C . 51781 1 830 . 1 . 1 249 249 VAL CA C 13 61.334 . . 1 . . . . . 249 V CA . 51781 1 831 . 1 . 1 249 249 VAL CB C 13 31.013 . . 1 . . . . . 249 V CB . 51781 1 832 . 1 . 1 249 249 VAL N N 15 125.954 . . 1 . . . . . 249 V N . 51781 1 833 . 1 . 1 250 250 VAL H H 1 9.100 . . 1 . . . . . 250 V HN . 51781 1 834 . 1 . 1 250 250 VAL CA C 13 56.469 . . 1 . . . . . 250 V CA . 51781 1 835 . 1 . 1 250 250 VAL CB C 13 31.896 . . 1 . . . . . 250 V CB . 51781 1 836 . 1 . 1 250 250 VAL N N 15 123.765 . . 1 . . . . . 250 V N . 51781 1 837 . 1 . 1 251 251 PRO C C 13 177.562 . . 1 . . . . . 251 P C . 51781 1 838 . 1 . 1 252 252 SER H H 1 7.958 . . 1 . . . . . 252 S HN . 51781 1 839 . 1 . 1 252 252 SER C C 13 176.161 . . 1 . . . . . 252 S C . 51781 1 840 . 1 . 1 252 252 SER CA C 13 59.559 . . 1 . . . . . 252 S CA . 51781 1 841 . 1 . 1 252 252 SER CB C 13 62.006 . . 1 . . . . . 252 S CB . 51781 1 842 . 1 . 1 252 252 SER N N 15 120.503 . . 1 . . . . . 252 S N . 51781 1 843 . 1 . 1 253 253 GLY H H 1 9.335 . . 1 . . . . . 253 G HN . 51781 1 844 . 1 . 1 253 253 GLY C C 13 175.500 . . 1 . . . . . 253 G C . 51781 1 845 . 1 . 1 253 253 GLY CA C 13 45.048 . . 1 . . . . . 253 G CA . 51781 1 846 . 1 . 1 253 253 GLY N N 15 117.548 . . 1 . . . . . 253 G N . 51781 1 847 . 1 . 1 254 254 GLN H H 1 8.052 . . 1 . . . . . 254 Q HN . 51781 1 848 . 1 . 1 254 254 GLN C C 13 176.681 . . 1 . . . . . 254 Q C . 51781 1 849 . 1 . 1 254 254 GLN CA C 13 54.811 . . 1 . . . . . 254 Q CA . 51781 1 850 . 1 . 1 254 254 GLN CB C 13 27.952 . . 1 . . . . . 254 Q CB . 51781 1 851 . 1 . 1 254 254 GLN N N 15 118.968 . . 1 . . . . . 254 Q N . 51781 1 852 . 1 . 1 255 255 GLU H H 1 10.388 . . 1 . . . . . 255 E HN . 51781 1 853 . 1 . 1 255 255 GLU C C 13 178.647 . . 1 . . . . . 255 E C . 51781 1 854 . 1 . 1 255 255 GLU CA C 13 62.143 . . 1 . . . . . 255 E CA . 51781 1 855 . 1 . 1 255 255 GLU CB C 13 29.079 . . 1 . . . . . 255 E CB . 51781 1 856 . 1 . 1 255 255 GLU N N 15 121.895 . . 1 . . . . . 255 E N . 51781 1 857 . 1 . 1 256 256 GLN H H 1 8.943 . . 1 . . . . . 256 Q HN . 51781 1 858 . 1 . 1 256 256 GLN C C 13 176.714 . . 1 . . . . . 256 Q C . 51781 1 859 . 1 . 1 256 256 GLN CA C 13 57.865 . . 1 . . . . . 256 Q CA . 51781 1 860 . 1 . 1 256 256 GLN CB C 13 27.190 . . 1 . . . . . 256 Q CB . 51781 1 861 . 1 . 1 256 256 GLN N N 15 114.375 . . 1 . . . . . 256 Q N . 51781 1 862 . 1 . 1 257 257 ARG H H 1 8.098 . . 1 . . . . . 257 R HN . 51781 1 863 . 1 . 1 257 257 ARG C C 13 176.188 . . 1 . . . . . 257 R C . 51781 1 864 . 1 . 1 257 257 ARG CA C 13 56.966 . . 1 . . . . . 257 R CA . 51781 1 865 . 1 . 1 257 257 ARG CB C 13 30.092 . . 1 . . . . . 257 R CB . 51781 1 866 . 1 . 1 257 257 ARG N N 15 118.503 . . 1 . . . . . 257 R N . 51781 1 867 . 1 . 1 258 258 TYR H H 1 7.881 . . 1 . . . . . 258 Y HN . 51781 1 868 . 1 . 1 258 258 TYR C C 13 175.893 . . 1 . . . . . 258 Y C . 51781 1 869 . 1 . 1 258 258 TYR CA C 13 57.311 . . 1 . . . . . 258 Y CA . 51781 1 870 . 1 . 1 258 258 TYR CB C 13 39.500 . . 1 . . . . . 258 Y CB . 51781 1 871 . 1 . 1 258 258 TYR N N 15 120.499 . . 1 . . . . . 258 Y N . 51781 1 872 . 1 . 1 259 259 THR H H 1 9.307 . . 1 . . . . . 259 T HN . 51781 1 873 . 1 . 1 259 259 THR C C 13 172.191 . . 1 . . . . . 259 T C . 51781 1 874 . 1 . 1 259 259 THR CA C 13 58.763 . . 1 . . . . . 259 T CA . 51781 1 875 . 1 . 1 259 259 THR CB C 13 70.225 . . 1 . . . . . 259 T CB . 51781 1 876 . 1 . 1 259 259 THR N N 15 113.016 . . 1 . . . . . 259 T N . 51781 1 877 . 1 . 1 260 260 CYS H H 1 8.666 . . 1 . . . . . 260 C HN . 51781 1 878 . 1 . 1 260 260 CYS C C 13 171.976 . . 1 . . . . . 260 C C . 51781 1 879 . 1 . 1 260 260 CYS CA C 13 51.622 . . 1 . . . . . 260 C CA . 51781 1 880 . 1 . 1 260 260 CYS CB C 13 41.272 . . 1 . . . . . 260 C CB . 51781 1 881 . 1 . 1 260 260 CYS N N 15 123.672 . . 1 . . . . . 260 C N . 51781 1 882 . 1 . 1 261 261 HIS H H 1 9.149 . . 1 . . . . . 261 H HN . 51781 1 883 . 1 . 1 261 261 HIS C C 13 174.688 . . 1 . . . . . 261 H C . 51781 1 884 . 1 . 1 261 261 HIS CA C 13 54.218 . . 1 . . . . . 261 H CA . 51781 1 885 . 1 . 1 261 261 HIS CB C 13 30.103 . . 1 . . . . . 261 H CB . 51781 1 886 . 1 . 1 261 261 HIS N N 15 128.721 . . 1 . . . . . 261 H N . 51781 1 887 . 1 . 1 262 262 VAL H H 1 8.467 . . 1 . . . . . 262 V HN . 51781 1 888 . 1 . 1 262 262 VAL C C 13 174.071 . . 1 . . . . . 262 V C . 51781 1 889 . 1 . 1 262 262 VAL CA C 13 60.556 . . 1 . . . . . 262 V CA . 51781 1 890 . 1 . 1 262 262 VAL CB C 13 33.172 . . 1 . . . . . 262 V CB . 51781 1 891 . 1 . 1 262 262 VAL N N 15 125.152 . . 1 . . . . . 262 V N . 51781 1 892 . 1 . 1 263 263 GLN H H 1 8.433 . . 1 . . . . . 263 Q HN . 51781 1 893 . 1 . 1 263 263 GLN C C 13 173.663 . . 1 . . . . . 263 Q C . 51781 1 894 . 1 . 1 263 263 GLN CA C 13 53.886 . . 1 . . . . . 263 Q CA . 51781 1 895 . 1 . 1 263 263 GLN CB C 13 30.955 . . 1 . . . . . 263 Q CB . 51781 1 896 . 1 . 1 263 263 GLN N N 15 124.977 . . 1 . . . . . 263 Q N . 51781 1 897 . 1 . 1 264 264 HIS H H 1 7.992 . . 1 . . . . . 264 H HN . 51781 1 898 . 1 . 1 264 264 HIS C C 13 174.896 . . 1 . . . . . 264 H C . 51781 1 899 . 1 . 1 264 264 HIS CA C 13 57.628 . . 1 . . . . . 264 H CA . 51781 1 900 . 1 . 1 264 264 HIS CB C 13 35.563 . . 1 . . . . . 264 H CB . 51781 1 901 . 1 . 1 264 264 HIS N N 15 123.262 . . 1 . . . . . 264 H N . 51781 1 902 . 1 . 1 265 265 GLU H H 1 8.235 . . 1 . . . . . 265 E HN . 51781 1 903 . 1 . 1 265 265 GLU C C 13 177.127 . . 1 . . . . . 265 E C . 51781 1 904 . 1 . 1 265 265 GLU CA C 13 58.590 . . 1 . . . . . 265 E CA . 51781 1 905 . 1 . 1 265 265 GLU CB C 13 29.199 . . 1 . . . . . 265 E CB . 51781 1 906 . 1 . 1 265 265 GLU N N 15 127.665 . . 1 . . . . . 265 E N . 51781 1 907 . 1 . 1 266 266 GLY H H 1 10.838 . . 1 . . . . . 266 G HN . 51781 1 908 . 1 . 1 266 266 GLY C C 13 173.295 . . 1 . . . . . 266 G C . 51781 1 909 . 1 . 1 266 266 GLY CA C 13 44.707 . . 1 . . . . . 266 G CA . 51781 1 910 . 1 . 1 266 266 GLY N N 15 110.969 . . 1 . . . . . 266 G N . 51781 1 911 . 1 . 1 267 267 LEU H H 1 7.947 . . 1 . . . . . 267 L HN . 51781 1 912 . 1 . 1 267 267 LEU CA C 13 50.972 . . 1 . . . . . 267 L CA . 51781 1 913 . 1 . 1 267 267 LEU CB C 13 41.244 . . 1 . . . . . 267 L CB . 51781 1 914 . 1 . 1 267 267 LEU N N 15 122.401 . . 1 . . . . . 267 L N . 51781 1 915 . 1 . 1 268 268 PRO C C 13 176.892 . . 1 . . . . . 268 P C . 51781 1 916 . 1 . 1 269 269 LYS H H 1 7.172 . . 1 . . . . . 269 K HN . 51781 1 917 . 1 . 1 269 269 LYS CA C 13 52.802 . . 1 . . . . . 269 K CA . 51781 1 918 . 1 . 1 269 269 LYS CB C 13 33.146 . . 1 . . . . . 269 K CB . 51781 1 919 . 1 . 1 269 269 LYS N N 15 115.032 . . 1 . . . . . 269 K N . 51781 1 920 . 1 . 1 270 270 PRO C C 13 176.864 . . 1 . . . . . 270 P C . 51781 1 921 . 1 . 1 271 271 LEU H H 1 8.278 . . 1 . . . . . 271 L HN . 51781 1 922 . 1 . 1 271 271 LEU C C 13 176.750 . . 1 . . . . . 271 L C . 51781 1 923 . 1 . 1 271 271 LEU CA C 13 53.664 . . 1 . . . . . 271 L CA . 51781 1 924 . 1 . 1 271 271 LEU CB C 13 44.253 . . 1 . . . . . 271 L CB . 51781 1 925 . 1 . 1 271 271 LEU N N 15 123.960 . . 1 . . . . . 271 L N . 51781 1 926 . 1 . 1 272 272 THR H H 1 8.321 . . 1 . . . . . 272 T HN . 51781 1 927 . 1 . 1 272 272 THR C C 13 173.596 . . 1 . . . . . 272 T C . 51781 1 928 . 1 . 1 272 272 THR CA C 13 61.260 . . 1 . . . . . 272 T CA . 51781 1 929 . 1 . 1 272 272 THR CB C 13 69.529 . . 1 . . . . . 272 T CB . 51781 1 930 . 1 . 1 272 272 THR N N 15 118.617 . . 1 . . . . . 272 T N . 51781 1 931 . 1 . 1 273 273 LEU H H 1 9.415 . . 1 . . . . . 273 L HN . 51781 1 932 . 1 . 1 273 273 LEU C C 13 174.617 . . 1 . . . . . 273 L C . 51781 1 933 . 1 . 1 273 273 LEU CA C 13 54.715 . . 1 . . . . . 273 L CA . 51781 1 934 . 1 . 1 273 273 LEU CB C 13 44.328 . . 1 . . . . . 273 L CB . 51781 1 935 . 1 . 1 273 273 LEU N N 15 128.686 . . 1 . . . . . 273 L N . 51781 1 936 . 1 . 1 274 274 ARG H H 1 8.278 . . 1 . . . . . 274 R HN . 51781 1 937 . 1 . 1 274 274 ARG C C 13 174.714 . . 1 . . . . . 274 R C . 51781 1 938 . 1 . 1 274 274 ARG CA C 13 54.344 . . 1 . . . . . 274 R CA . 51781 1 939 . 1 . 1 274 274 ARG CB C 13 33.650 . . 1 . . . . . 274 R CB . 51781 1 940 . 1 . 1 274 274 ARG N N 15 120.766 . . 1 . . . . . 274 R N . 51781 1 941 . 1 . 1 275 275 TRP H H 1 9.903 . . 1 . . . . . 275 W HN . 51781 1 942 . 1 . 1 275 275 TRP CA C 13 57.876 . . 1 . . . . . 275 W CA . 51781 1 943 . 1 . 1 275 275 TRP CB C 13 29.213 . . 1 . . . . . 275 W CB . 51781 1 944 . 1 . 1 275 275 TRP N N 15 126.967 . . 1 . . . . . 275 W N . 51781 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 51781 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'light chain' _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 6 '3D HNCA' . . . 51781 2 7 '3D HNCO' . . . 51781 2 8 '3D HNCACB' . . . 51781 2 9 '2D 1H-15N TROSY' . . . 51781 2 10 '2D 1H-15N TROSY' . . . 51781 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 2 $software_2 . . 51781 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 13 174.656 . . 1 . . . . . 2 I C . 51781 2 2 . 2 . 2 3 3 GLN H H 1 8.159 . . 1 . . . . . 3 Q HN . 51781 2 3 . 2 . 2 3 3 GLN C C 13 175.411 . . 1 . . . . . 3 Q C . 51781 2 4 . 2 . 2 3 3 GLN CA C 13 53.947 . . 1 . . . . . 3 Q CA . 51781 2 5 . 2 . 2 3 3 GLN CB C 13 30.097 . . 1 . . . . . 3 Q CB . 51781 2 6 . 2 . 2 3 3 GLN N N 15 123.479 . . 1 . . . . . 3 Q N . 51781 2 7 . 2 . 2 4 4 ARG H H 1 9.201 . . 1 . . . . . 4 R HN . 51781 2 8 . 2 . 2 4 4 ARG C C 13 175.158 . . 1 . . . . . 4 R C . 51781 2 9 . 2 . 2 4 4 ARG CA C 13 54.880 . . 1 . . . . . 4 R CA . 51781 2 10 . 2 . 2 4 4 ARG CB C 13 33.682 . . 1 . . . . . 4 R CB . 51781 2 11 . 2 . 2 4 4 ARG N N 15 123.183 . . 1 . . . . . 4 R N . 51781 2 12 . 2 . 2 5 5 THR H H 1 8.391 . . 1 . . . . . 5 T HN . 51781 2 13 . 2 . 2 5 5 THR CA C 13 59.066 . . 1 . . . . . 5 T CA . 51781 2 14 . 2 . 2 5 5 THR CB C 13 70.345 . . 1 . . . . . 5 T CB . 51781 2 15 . 2 . 2 5 5 THR N N 15 120.956 . . 1 . . . . . 5 T N . 51781 2 16 . 2 . 2 6 6 PRO C C 13 176.461 . . 1 . . . . . 6 P C . 51781 2 17 . 2 . 2 7 7 LYS H H 1 9.227 . . 1 . . . . . 7 K HN . 51781 2 18 . 2 . 2 7 7 LYS C C 13 176.430 . . 1 . . . . . 7 K C . 51781 2 19 . 2 . 2 7 7 LYS CA C 13 55.565 . . 1 . . . . . 7 K CA . 51781 2 20 . 2 . 2 7 7 LYS CB C 13 31.448 . . 1 . . . . . 7 K CB . 51781 2 21 . 2 . 2 7 7 LYS N N 15 124.626 . . 1 . . . . . 7 K N . 51781 2 22 . 2 . 2 8 8 ILE H H 1 8.283 . . 1 . . . . . 8 I HN . 51781 2 23 . 2 . 2 8 8 ILE C C 13 175.836 . . 1 . . . . . 8 I C . 51781 2 24 . 2 . 2 8 8 ILE CA C 13 60.900 . . 1 . . . . . 8 I CA . 51781 2 25 . 2 . 2 8 8 ILE CB C 13 41.692 . . 1 . . . . . 8 I CB . 51781 2 26 . 2 . 2 8 8 ILE N N 15 122.868 . . 1 . . . . . 8 I N . 51781 2 27 . 2 . 2 9 9 GLN H H 1 8.897 . . 1 . . . . . 9 Q HN . 51781 2 28 . 2 . 2 9 9 GLN C C 13 173.685 . . 1 . . . . . 9 Q C . 51781 2 29 . 2 . 2 9 9 GLN CA C 13 55.767 . . 1 . . . . . 9 Q CA . 51781 2 30 . 2 . 2 9 9 GLN CB C 13 34.583 . . 1 . . . . . 9 Q CB . 51781 2 31 . 2 . 2 9 9 GLN N N 15 124.618 . . 1 . . . . . 9 Q N . 51781 2 32 . 2 . 2 10 10 VAL H H 1 9.325 . . 1 . . . . . 10 V HN . 51781 2 33 . 2 . 2 10 10 VAL C C 13 174.486 . . 1 . . . . . 10 V C . 51781 2 34 . 2 . 2 10 10 VAL CA C 13 60.014 . . 1 . . . . . 10 V CA . 51781 2 35 . 2 . 2 10 10 VAL CB C 13 33.664 . . 1 . . . . . 10 V CB . 51781 2 36 . 2 . 2 10 10 VAL N N 15 124.721 . . 1 . . . . . 10 V N . 51781 2 37 . 2 . 2 11 11 TYR H H 1 8.606 . . 1 . . . . . 11 Y HN . 51781 2 38 . 2 . 2 11 11 TYR C C 13 172.447 . . 1 . . . . . 11 Y C . 51781 2 39 . 2 . 2 11 11 TYR CA C 13 56.528 . . 1 . . . . . 11 Y CA . 51781 2 40 . 2 . 2 11 11 TYR CB C 13 37.662 . . 1 . . . . . 11 Y CB . 51781 2 41 . 2 . 2 11 11 TYR N N 15 123.784 . . 1 . . . . . 11 Y N . 51781 2 42 . 2 . 2 12 12 SER H H 1 8.792 . . 1 . . . . . 12 S HN . 51781 2 43 . 2 . 2 12 12 SER C C 13 175.382 . . 1 . . . . . 12 S C . 51781 2 44 . 2 . 2 12 12 SER CA C 13 55.940 . . 1 . . . . . 12 S CA . 51781 2 45 . 2 . 2 12 12 SER CB C 13 64.985 . . 1 . . . . . 12 S CB . 51781 2 46 . 2 . 2 12 12 SER N N 15 113.872 . . 1 . . . . . 12 S N . 51781 2 47 . 2 . 2 13 13 ARG H H 1 8.786 . . 1 . . . . . 13 R HN . 51781 2 48 . 2 . 2 13 13 ARG C C 13 174.213 . . 1 . . . . . 13 R C . 51781 2 49 . 2 . 2 13 13 ARG CA C 13 59.575 . . 1 . . . . . 13 R CA . 51781 2 50 . 2 . 2 13 13 ARG CB C 13 32.363 . . 1 . . . . . 13 R CB . 51781 2 51 . 2 . 2 13 13 ARG N N 15 123.284 . . 1 . . . . . 13 R N . 51781 2 52 . 2 . 2 14 14 HIS H H 1 8.176 . . 1 . . . . . 14 H HN . 51781 2 53 . 2 . 2 14 14 HIS CA C 13 52.131 . . 1 . . . . . 14 H CA . 51781 2 54 . 2 . 2 14 14 HIS CB C 13 30.220 . . 1 . . . . . 14 H CB . 51781 2 55 . 2 . 2 14 14 HIS N N 15 114.422 . . 1 . . . . . 14 H N . 51781 2 56 . 2 . 2 15 15 PRO C C 13 176.901 . . 1 . . . . . 15 P C . 51781 2 57 . 2 . 2 16 16 ALA H H 1 8.966 . . 1 . . . . . 16 A HN . 51781 2 58 . 2 . 2 16 16 ALA C C 13 176.874 . . 1 . . . . . 16 A C . 51781 2 59 . 2 . 2 16 16 ALA CA C 13 52.914 . . 1 . . . . . 16 A CA . 51781 2 60 . 2 . 2 16 16 ALA CB C 13 19.484 . . 1 . . . . . 16 A CB . 51781 2 61 . 2 . 2 16 16 ALA N N 15 128.134 . . 1 . . . . . 16 A N . 51781 2 62 . 2 . 2 17 17 GLU H H 1 8.910 . . 1 . . . . . 17 E HN . 51781 2 63 . 2 . 2 17 17 GLU C C 13 175.099 . . 1 . . . . . 17 E C . 51781 2 64 . 2 . 2 17 17 GLU CA C 13 54.654 . . 1 . . . . . 17 E CA . 51781 2 65 . 2 . 2 17 17 GLU CB C 13 31.951 . . 1 . . . . . 17 E CB . 51781 2 66 . 2 . 2 17 17 GLU N N 15 125.034 . . 1 . . . . . 17 E N . 51781 2 67 . 2 . 2 18 18 ASN H H 1 8.780 . . 1 . . . . . 18 N HN . 51781 2 68 . 2 . 2 18 18 ASN C C 13 177.503 . . 1 . . . . . 18 N C . 51781 2 69 . 2 . 2 18 18 ASN CA C 13 53.857 . . 1 . . . . . 18 N CA . 51781 2 70 . 2 . 2 18 18 ASN CB C 13 36.368 . . 1 . . . . . 18 N CB . 51781 2 71 . 2 . 2 18 18 ASN N N 15 123.786 . . 1 . . . . . 18 N N . 51781 2 72 . 2 . 2 19 19 GLY H H 1 8.812 . . 1 . . . . . 19 G HN . 51781 2 73 . 2 . 2 19 19 GLY C C 13 173.330 . . 1 . . . . . 19 G C . 51781 2 74 . 2 . 2 19 19 GLY CA C 13 44.860 . . 1 . . . . . 19 G CA . 51781 2 75 . 2 . 2 19 19 GLY N N 15 109.662 . . 1 . . . . . 19 G N . 51781 2 76 . 2 . 2 20 20 LYS H H 1 7.849 . . 1 . . . . . 20 K HN . 51781 2 77 . 2 . 2 20 20 LYS C C 13 175.270 . . 1 . . . . . 20 K C . 51781 2 78 . 2 . 2 20 20 LYS CA C 13 53.802 . . 1 . . . . . 20 K CA . 51781 2 79 . 2 . 2 20 20 LYS CB C 13 32.652 . . 1 . . . . . 20 K CB . 51781 2 80 . 2 . 2 20 20 LYS N N 15 122.223 . . 1 . . . . . 20 K N . 51781 2 81 . 2 . 2 21 21 SER H H 1 8.345 . . 1 . . . . . 21 S HN . 51781 2 82 . 2 . 2 21 21 SER C C 13 173.456 . . 1 . . . . . 21 S C . 51781 2 83 . 2 . 2 21 21 SER CA C 13 59.334 . . 1 . . . . . 21 S CA . 51781 2 84 . 2 . 2 21 21 SER CB C 13 62.180 . . 1 . . . . . 21 S CB . 51781 2 85 . 2 . 2 21 21 SER N N 15 120.897 . . 1 . . . . . 21 S N . 51781 2 86 . 2 . 2 22 22 ASN H H 1 8.880 . . 1 . . . . . 22 N HN . 51781 2 87 . 2 . 2 22 22 ASN C C 13 173.963 . . 1 . . . . . 22 N C . 51781 2 88 . 2 . 2 22 22 ASN CA C 13 50.992 . . 1 . . . . . 22 N CA . 51781 2 89 . 2 . 2 22 22 ASN CB C 13 41.605 . . 1 . . . . . 22 N CB . 51781 2 90 . 2 . 2 22 22 ASN N N 15 127.688 . . 1 . . . . . 22 N N . 51781 2 91 . 2 . 2 23 23 PHE H H 1 10.392 . . 1 . . . . . 23 F HN . 51781 2 92 . 2 . 2 23 23 PHE C C 13 173.035 . . 1 . . . . . 23 F C . 51781 2 93 . 2 . 2 23 23 PHE CA C 13 57.709 . . 1 . . . . . 23 F CA . 51781 2 94 . 2 . 2 23 23 PHE CB C 13 42.318 . . 1 . . . . . 23 F CB . 51781 2 95 . 2 . 2 23 23 PHE N N 15 121.294 . . 1 . . . . . 23 F N . 51781 2 96 . 2 . 2 24 24 LEU H H 1 8.898 . . 1 . . . . . 24 L HN . 51781 2 97 . 2 . 2 24 24 LEU C C 13 172.412 . . 1 . . . . . 24 L C . 51781 2 98 . 2 . 2 24 24 LEU CA C 13 52.917 . . 1 . . . . . 24 L CA . 51781 2 99 . 2 . 2 24 24 LEU CB C 13 40.073 . . 1 . . . . . 24 L CB . 51781 2 100 . 2 . 2 24 24 LEU N N 15 127.661 . . 1 . . . . . 24 L N . 51781 2 101 . 2 . 2 25 25 ASN H H 1 8.362 . . 1 . . . . . 25 N HN . 51781 2 102 . 2 . 2 25 25 ASN C C 13 173.904 . . 1 . . . . . 25 N C . 51781 2 103 . 2 . 2 25 25 ASN CA C 13 50.571 . . 1 . . . . . 25 N CA . 51781 2 104 . 2 . 2 25 25 ASN CB C 13 39.993 . . 1 . . . . . 25 N CB . 51781 2 105 . 2 . 2 25 25 ASN N N 15 122.737 . . 1 . . . . . 25 N N . 51781 2 106 . 2 . 2 26 26 CYS H H 1 9.572 . . 1 . . . . . 26 C HN . 51781 2 107 . 2 . 2 26 26 CYS C C 13 171.905 . . 1 . . . . . 26 C C . 51781 2 108 . 2 . 2 26 26 CYS CA C 13 53.646 . . 1 . . . . . 26 C CA . 51781 2 109 . 2 . 2 26 26 CYS CB C 13 40.977 . . 1 . . . . . 26 C CB . 51781 2 110 . 2 . 2 26 26 CYS N N 15 120.961 . . 1 . . . . . 26 C N . 51781 2 111 . 2 . 2 27 27 TYR H H 1 9.696 . . 1 . . . . . 27 Y HN . 51781 2 112 . 2 . 2 27 27 TYR C C 13 174.600 . . 1 . . . . . 27 Y C . 51781 2 113 . 2 . 2 27 27 TYR CA C 13 55.119 . . 1 . . . . . 27 Y CA . 51781 2 114 . 2 . 2 27 27 TYR CB C 13 41.625 . . 1 . . . . . 27 Y CB . 51781 2 115 . 2 . 2 27 27 TYR N N 15 130.111 . . 1 . . . . . 27 Y N . 51781 2 116 . 2 . 2 28 28 VAL H H 1 8.913 . . 1 . . . . . 28 V HN . 51781 2 117 . 2 . 2 28 28 VAL C C 13 174.216 . . 1 . . . . . 28 V C . 51781 2 118 . 2 . 2 28 28 VAL CA C 13 58.318 . . 1 . . . . . 28 V CA . 51781 2 119 . 2 . 2 28 28 VAL CB C 13 32.789 . . 1 . . . . . 28 V CB . 51781 2 120 . 2 . 2 28 28 VAL N N 15 126.919 . . 1 . . . . . 28 V N . 51781 2 121 . 2 . 2 29 29 SER H H 1 8.790 . . 1 . . . . . 29 S HN . 51781 2 122 . 2 . 2 29 29 SER C C 13 174.777 . . 1 . . . . . 29 S C . 51781 2 123 . 2 . 2 29 29 SER CA C 13 56.554 . . 1 . . . . . 29 S CA . 51781 2 124 . 2 . 2 29 29 SER CB C 13 65.588 . . 1 . . . . . 29 S CB . 51781 2 125 . 2 . 2 29 29 SER N N 15 117.849 . . 1 . . . . . 29 S N . 51781 2 126 . 2 . 2 30 30 GLY H H 1 8.353 . . 1 . . . . . 30 G HN . 51781 2 127 . 2 . 2 30 30 GLY C C 13 173.577 . . 1 . . . . . 30 G C . 51781 2 128 . 2 . 2 30 30 GLY CA C 13 46.054 . . 1 . . . . . 30 G CA . 51781 2 129 . 2 . 2 30 30 GLY N N 15 108.286 . . 1 . . . . . 30 G N . 51781 2 130 . 2 . 2 31 31 PHE H H 1 7.171 . . 1 . . . . . 31 F HN . 51781 2 131 . 2 . 2 31 31 PHE C C 13 174.356 . . 1 . . . . . 31 F C . 51781 2 132 . 2 . 2 31 31 PHE CA C 13 53.759 . . 1 . . . . . 31 F CA . 51781 2 133 . 2 . 2 31 31 PHE CB C 13 41.755 . . 1 . . . . . 31 F CB . 51781 2 134 . 2 . 2 31 31 PHE N N 15 111.124 . . 1 . . . . . 31 F N . 51781 2 135 . 2 . 2 32 32 CYS H H 1 8.408 . . 1 . . . . . 32 C HN . 51781 2 136 . 2 . 2 32 32 CYS CA C 13 56.553 . . 1 . . . . . 32 C CA . 51781 2 137 . 2 . 2 32 32 CYS CB C 13 47.674 . . 1 . . . . . 32 C CB . 51781 2 138 . 2 . 2 32 32 CYS N N 15 119.376 . . 1 . . . . . 32 C N . 51781 2 139 . 2 . 2 33 33 PRO C C 13 176.446 . . 1 . . . . . 33 P C . 51781 2 140 . 2 . 2 34 34 SER H H 1 8.883 . . 1 . . . . . 34 S HN . 51781 2 141 . 2 . 2 34 34 SER C C 13 173.998 . . 1 . . . . . 34 S C . 51781 2 142 . 2 . 2 34 34 SER CA C 13 61.185 . . 1 . . . . . 34 S CA . 51781 2 143 . 2 . 2 34 34 SER CB C 13 62.370 . . 1 . . . . . 34 S CB . 51781 2 144 . 2 . 2 34 34 SER N N 15 114.089 . . 1 . . . . . 34 S N . 51781 2 145 . 2 . 2 35 35 ASP H H 1 7.171 . . 1 . . . . . 35 D HN . 51781 2 146 . 2 . 2 35 35 ASP C C 13 174.195 . . 1 . . . . . 35 D C . 51781 2 147 . 2 . 2 35 35 ASP CA C 13 54.726 . . 1 . . . . . 35 D CA . 51781 2 148 . 2 . 2 35 35 ASP CB C 13 39.853 . . 1 . . . . . 35 D CB . 51781 2 149 . 2 . 2 35 35 ASP N N 15 121.302 . . 1 . . . . . 35 D N . 51781 2 150 . 2 . 2 36 36 ILE H H 1 7.834 . . 1 . . . . . 36 I HN . 51781 2 151 . 2 . 2 36 36 ILE C C 13 171.828 . . 1 . . . . . 36 I C . 51781 2 152 . 2 . 2 36 36 ILE CA C 13 60.460 . . 1 . . . . . 36 I CA . 51781 2 153 . 2 . 2 36 36 ILE CB C 13 40.015 . . 1 . . . . . 36 I CB . 51781 2 154 . 2 . 2 36 36 ILE N N 15 124.194 . . 1 . . . . . 36 I N . 51781 2 155 . 2 . 2 37 37 GLU H H 1 8.041 . . 1 . . . . . 37 E HN . 51781 2 156 . 2 . 2 37 37 GLU C C 13 174.276 . . 1 . . . . . 37 E C . 51781 2 157 . 2 . 2 37 37 GLU CA C 13 54.441 . . 1 . . . . . 37 E CA . 51781 2 158 . 2 . 2 37 37 GLU CB C 13 31.528 . . 1 . . . . . 37 E CB . 51781 2 159 . 2 . 2 37 37 GLU N N 15 126.522 . . 1 . . . . . 37 E N . 51781 2 160 . 2 . 2 38 38 VAL H H 1 7.757 . . 1 . . . . . 38 V HN . 51781 2 161 . 2 . 2 38 38 VAL C C 13 173.594 . . 1 . . . . . 38 V C . 51781 2 162 . 2 . 2 38 38 VAL CA C 13 60.399 . . 1 . . . . . 38 V CA . 51781 2 163 . 2 . 2 38 38 VAL CB C 13 32.913 . . 1 . . . . . 38 V CB . 51781 2 164 . 2 . 2 38 38 VAL N N 15 125.536 . . 1 . . . . . 38 V N . 51781 2 165 . 2 . 2 39 39 ASP H H 1 8.782 . . 1 . . . . . 39 D HN . 51781 2 166 . 2 . 2 39 39 ASP C C 13 174.307 . . 1 . . . . . 39 D C . 51781 2 167 . 2 . 2 39 39 ASP CA C 13 52.225 . . 1 . . . . . 39 D CA . 51781 2 168 . 2 . 2 39 39 ASP CB C 13 45.277 . . 1 . . . . . 39 D CB . 51781 2 169 . 2 . 2 39 39 ASP N N 15 123.504 . . 1 . . . . . 39 D N . 51781 2 170 . 2 . 2 40 40 LEU H H 1 8.965 . . 1 . . . . . 40 L HN . 51781 2 171 . 2 . 2 40 40 LEU C C 13 174.570 . . 1 . . . . . 40 L C . 51781 2 172 . 2 . 2 40 40 LEU CA C 13 53.153 . . 1 . . . . . 40 L CA . 51781 2 173 . 2 . 2 40 40 LEU CB C 13 42.669 . . 1 . . . . . 40 L CB . 51781 2 174 . 2 . 2 40 40 LEU N N 15 121.933 . . 1 . . . . . 40 L N . 51781 2 175 . 2 . 2 41 41 LEU H H 1 8.880 . . 1 . . . . . 41 L HN . 51781 2 176 . 2 . 2 41 41 LEU C C 13 175.445 . . 1 . . . . . 41 L C . 51781 2 177 . 2 . 2 41 41 LEU CA C 13 52.585 . . 1 . . . . . 41 L CA . 51781 2 178 . 2 . 2 41 41 LEU CB C 13 44.451 . . 1 . . . . . 41 L CB . 51781 2 179 . 2 . 2 41 41 LEU N N 15 120.909 . . 1 . . . . . 41 L N . 51781 2 180 . 2 . 2 42 42 LYS H H 1 8.765 . . 1 . . . . . 42 K HN . 51781 2 181 . 2 . 2 42 42 LYS C C 13 176.416 . . 1 . . . . . 42 K C . 51781 2 182 . 2 . 2 42 42 LYS CA C 13 53.894 . . 1 . . . . . 42 K CA . 51781 2 183 . 2 . 2 42 42 LYS CB C 13 33.338 . . 1 . . . . . 42 K CB . 51781 2 184 . 2 . 2 42 42 LYS N N 15 121.555 . . 1 . . . . . 42 K N . 51781 2 185 . 2 . 2 43 43 ASN H H 1 9.714 . . 1 . . . . . 43 N HN . 51781 2 186 . 2 . 2 43 43 ASN C C 13 175.630 . . 1 . . . . . 43 N C . 51781 2 187 . 2 . 2 43 43 ASN CA C 13 54.084 . . 1 . . . . . 43 N CA . 51781 2 188 . 2 . 2 43 43 ASN CB C 13 36.942 . . 1 . . . . . 43 N CB . 51781 2 189 . 2 . 2 43 43 ASN N N 15 128.989 . . 1 . . . . . 43 N N . 51781 2 190 . 2 . 2 44 44 GLY H H 1 8.814 . . 1 . . . . . 44 G HN . 51781 2 191 . 2 . 2 44 44 GLY C C 13 173.078 . . 1 . . . . . 44 G C . 51781 2 192 . 2 . 2 44 44 GLY CA C 13 44.863 . . 1 . . . . . 44 G CA . 51781 2 193 . 2 . 2 44 44 GLY N N 15 103.120 . . 1 . . . . . 44 G N . 51781 2 194 . 2 . 2 45 45 GLU H H 1 7.737 . . 1 . . . . . 45 E HN . 51781 2 195 . 2 . 2 45 45 GLU C C 13 175.729 . . 1 . . . . . 45 E C . 51781 2 196 . 2 . 2 45 45 GLU CA C 13 53.895 . . 1 . . . . . 45 E CA . 51781 2 197 . 2 . 2 45 45 GLU CB C 13 31.046 . . 1 . . . . . 45 E CB . 51781 2 198 . 2 . 2 45 45 GLU N N 15 121.465 . . 1 . . . . . 45 E N . 51781 2 199 . 2 . 2 46 46 ARG H H 1 8.658 . . 1 . . . . . 46 R HN . 51781 2 200 . 2 . 2 46 46 ARG C C 13 176.243 . . 1 . . . . . 46 R C . 51781 2 201 . 2 . 2 46 46 ARG CA C 13 57.288 . . 1 . . . . . 46 R CA . 51781 2 202 . 2 . 2 46 46 ARG CB C 13 29.755 . . 1 . . . . . 46 R CB . 51781 2 203 . 2 . 2 46 46 ARG N N 15 125.115 . . 1 . . . . . 46 R N . 51781 2 204 . 2 . 2 47 47 ILE H H 1 8.796 . . 1 . . . . . 47 I HN . 51781 2 205 . 2 . 2 47 47 ILE C C 13 176.054 . . 1 . . . . . 47 I C . 51781 2 206 . 2 . 2 47 47 ILE CA C 13 61.517 . . 1 . . . . . 47 I CA . 51781 2 207 . 2 . 2 47 47 ILE CB C 13 37.942 . . 1 . . . . . 47 I CB . 51781 2 208 . 2 . 2 47 47 ILE N N 15 129.520 . . 1 . . . . . 47 I N . 51781 2 209 . 2 . 2 48 48 GLU H H 1 8.456 . . 1 . . . . . 48 E HN . 51781 2 210 . 2 . 2 48 48 GLU C C 13 177.284 . . 1 . . . . . 48 E C . 51781 2 211 . 2 . 2 48 48 GLU CA C 13 58.177 . . 1 . . . . . 48 E CA . 51781 2 212 . 2 . 2 48 48 GLU CB C 13 29.870 . . 1 . . . . . 48 E CB . 51781 2 213 . 2 . 2 48 48 GLU N N 15 126.936 . . 1 . . . . . 48 E N . 51781 2 214 . 2 . 2 49 49 LYS H H 1 8.035 . . 1 . . . . . 49 K HN . 51781 2 215 . 2 . 2 49 49 LYS C C 13 174.476 . . 1 . . . . . 49 K C . 51781 2 216 . 2 . 2 49 49 LYS CA C 13 55.457 . . 1 . . . . . 49 K CA . 51781 2 217 . 2 . 2 49 49 LYS CB C 13 29.902 . . 1 . . . . . 49 K CB . 51781 2 218 . 2 . 2 49 49 LYS N N 15 120.101 . . 1 . . . . . 49 K N . 51781 2 219 . 2 . 2 50 50 VAL H H 1 7.797 . . 1 . . . . . 50 V HN . 51781 2 220 . 2 . 2 50 50 VAL C C 13 175.194 . . 1 . . . . . 50 V C . 51781 2 221 . 2 . 2 50 50 VAL CA C 13 60.999 . . 1 . . . . . 50 V CA . 51781 2 222 . 2 . 2 50 50 VAL CB C 13 33.934 . . 1 . . . . . 50 V CB . 51781 2 223 . 2 . 2 50 50 VAL N N 15 124.692 . . 1 . . . . . 50 V N . 51781 2 224 . 2 . 2 51 51 GLU H H 1 8.255 . . 1 . . . . . 51 E HN . 51781 2 225 . 2 . 2 51 51 GLU C C 13 173.942 . . 1 . . . . . 51 E C . 51781 2 226 . 2 . 2 51 51 GLU CA C 13 53.859 . . 1 . . . . . 51 E CA . 51781 2 227 . 2 . 2 51 51 GLU CB C 13 31.820 . . 1 . . . . . 51 E CB . 51781 2 228 . 2 . 2 51 51 GLU N N 15 127.326 . . 1 . . . . . 51 E N . 51781 2 229 . 2 . 2 52 52 HIS H H 1 8.072 . . 1 . . . . . 52 H HN . 51781 2 230 . 2 . 2 52 52 HIS C C 13 175.215 . . 1 . . . . . 52 H C . 51781 2 231 . 2 . 2 52 52 HIS CA C 13 53.122 . . 1 . . . . . 52 H CA . 51781 2 232 . 2 . 2 52 52 HIS CB C 13 30.116 . . 1 . . . . . 52 H CB . 51781 2 233 . 2 . 2 52 52 HIS N N 15 111.719 . . 1 . . . . . 52 H N . 51781 2 234 . 2 . 2 53 53 SER H H 1 9.023 . . 1 . . . . . 53 S HN . 51781 2 235 . 2 . 2 53 53 SER C C 13 173.986 . . 1 . . . . . 53 S C . 51781 2 236 . 2 . 2 53 53 SER CA C 13 57.239 . . 1 . . . . . 53 S CA . 51781 2 237 . 2 . 2 53 53 SER CB C 13 64.208 . . 1 . . . . . 53 S CB . 51781 2 238 . 2 . 2 53 53 SER N N 15 117.346 . . 1 . . . . . 53 S N . 51781 2 239 . 2 . 2 54 54 ASP H H 1 8.826 . . 1 . . . . . 54 D HN . 51781 2 240 . 2 . 2 54 54 ASP C C 13 176.797 . . 1 . . . . . 54 D C . 51781 2 241 . 2 . 2 54 54 ASP CA C 13 54.187 . . 1 . . . . . 54 D CA . 51781 2 242 . 2 . 2 54 54 ASP CB C 13 41.816 . . 1 . . . . . 54 D CB . 51781 2 243 . 2 . 2 54 54 ASP N N 15 119.883 . . 1 . . . . . 54 D N . 51781 2 244 . 2 . 2 55 55 LEU H H 1 8.755 . . 1 . . . . . 55 L HN . 51781 2 245 . 2 . 2 55 55 LEU CA C 13 57.250 . . 1 . . . . . 55 L CA . 51781 2 246 . 2 . 2 55 55 LEU CB C 13 42.158 . . 1 . . . . . 55 L CB . 51781 2 247 . 2 . 2 55 55 LEU N N 15 128.122 . . 1 . . . . . 55 L N . 51781 2 248 . 2 . 2 57 57 PHE C C 13 173.851 . . 1 . . . . . 57 F C . 51781 2 249 . 2 . 2 58 58 SER H H 1 8.777 . . 1 . . . . . 58 S HN . 51781 2 250 . 2 . 2 58 58 SER CA C 13 56.471 . . 1 . . . . . 58 S CA . 51781 2 251 . 2 . 2 58 58 SER CB C 13 63.916 . . 1 . . . . . 58 S CB . 51781 2 252 . 2 . 2 58 58 SER N N 15 115.123 . . 1 . . . . . 58 S N . 51781 2 253 . 2 . 2 59 59 LYS C C 13 175.641 . . 1 . . . . . 59 K C . 51781 2 254 . 2 . 2 60 60 ASP H H 1 7.378 . . 1 . . . . . 60 D HN . 51781 2 255 . 2 . 2 60 60 ASP C C 13 175.580 . . 1 . . . . . 60 D C . 51781 2 256 . 2 . 2 60 60 ASP CA C 13 52.590 . . 1 . . . . . 60 D CA . 51781 2 257 . 2 . 2 60 60 ASP CB C 13 39.149 . . 1 . . . . . 60 D CB . 51781 2 258 . 2 . 2 60 60 ASP N N 15 117.299 . . 1 . . . . . 60 D N . 51781 2 259 . 2 . 2 61 61 TRP H H 1 7.617 . . 1 . . . . . 61 W HN . 51781 2 260 . 2 . 2 61 61 TRP CA C 13 58.520 . . 1 . . . . . 61 W CA . 51781 2 261 . 2 . 2 61 61 TRP CB C 13 26.242 . . 1 . . . . . 61 W CB . 51781 2 262 . 2 . 2 61 61 TRP N N 15 112.605 . . 1 . . . . . 61 W N . 51781 2 263 . 2 . 2 62 62 SER C C 13 173.937 . . 1 . . . . . 62 S C . 51781 2 264 . 2 . 2 63 63 PHE H H 1 8.282 . . 1 . . . . . 63 F HN . 51781 2 265 . 2 . 2 63 63 PHE C C 13 173.814 . . 1 . . . . . 63 F C . 51781 2 266 . 2 . 2 63 63 PHE CA C 13 58.277 . . 1 . . . . . 63 F CA . 51781 2 267 . 2 . 2 63 63 PHE CB C 13 40.809 . . 1 . . . . . 63 F CB . 51781 2 268 . 2 . 2 63 63 PHE N N 15 123.358 . . 1 . . . . . 63 F N . 51781 2 269 . 2 . 2 64 64 TYR H H 1 7.497 . . 1 . . . . . 64 Y HN . 51781 2 270 . 2 . 2 64 64 TYR C C 13 174.713 . . 1 . . . . . 64 Y C . 51781 2 271 . 2 . 2 64 64 TYR CA C 13 56.105 . . 1 . . . . . 64 Y CA . 51781 2 272 . 2 . 2 64 64 TYR CB C 13 39.802 . . 1 . . . . . 64 Y CB . 51781 2 273 . 2 . 2 64 64 TYR N N 15 110.102 . . 1 . . . . . 64 Y N . 51781 2 274 . 2 . 2 65 65 LEU H H 1 9.291 . . 1 . . . . . 65 L HN . 51781 2 275 . 2 . 2 65 65 LEU C C 13 172.847 . . 1 . . . . . 65 L C . 51781 2 276 . 2 . 2 65 65 LEU CA C 13 54.806 . . 1 . . . . . 65 L CA . 51781 2 277 . 2 . 2 65 65 LEU CB C 13 49.472 . . 1 . . . . . 65 L CB . 51781 2 278 . 2 . 2 65 65 LEU N N 15 121.111 . . 1 . . . . . 65 L N . 51781 2 279 . 2 . 2 66 66 LEU H H 1 8.597 . . 1 . . . . . 66 L HN . 51781 2 280 . 2 . 2 66 66 LEU C C 13 175.108 . . 1 . . . . . 66 L C . 51781 2 281 . 2 . 2 66 66 LEU CA C 13 53.399 . . 1 . . . . . 66 L CA . 51781 2 282 . 2 . 2 66 66 LEU CB C 13 45.226 . . 1 . . . . . 66 L CB . 51781 2 283 . 2 . 2 66 66 LEU N N 15 122.400 . . 1 . . . . . 66 L N . 51781 2 284 . 2 . 2 67 67 TYR H H 1 9.192 . . 1 . . . . . 67 Y HN . 51781 2 285 . 2 . 2 67 67 TYR C C 13 175.293 . . 1 . . . . . 67 Y C . 51781 2 286 . 2 . 2 67 67 TYR CA C 13 56.534 . . 1 . . . . . 67 Y CA . 51781 2 287 . 2 . 2 67 67 TYR CB C 13 40.554 . . 1 . . . . . 67 Y CB . 51781 2 288 . 2 . 2 67 67 TYR N N 15 128.147 . . 1 . . . . . 67 Y N . 51781 2 289 . 2 . 2 68 68 TYR H H 1 8.831 . . 1 . . . . . 68 Y HN . 51781 2 290 . 2 . 2 68 68 TYR C C 13 173.877 . . 1 . . . . . 68 Y C . 51781 2 291 . 2 . 2 68 68 TYR CA C 13 55.685 . . 1 . . . . . 68 Y CA . 51781 2 292 . 2 . 2 68 68 TYR CB C 13 40.980 . . 1 . . . . . 68 Y CB . 51781 2 293 . 2 . 2 68 68 TYR N N 15 116.659 . . 1 . . . . . 68 Y N . 51781 2 294 . 2 . 2 69 69 THR H H 1 8.322 . . 1 . . . . . 69 T HN . 51781 2 295 . 2 . 2 69 69 THR C C 13 171.498 . . 1 . . . . . 69 T C . 51781 2 296 . 2 . 2 69 69 THR CA C 13 59.739 . . 1 . . . . . 69 T CA . 51781 2 297 . 2 . 2 69 69 THR CB C 13 69.589 . . 1 . . . . . 69 T CB . 51781 2 298 . 2 . 2 69 69 THR N N 15 113.229 . . 1 . . . . . 69 T N . 51781 2 299 . 2 . 2 70 70 GLU H H 1 8.405 . . 1 . . . . . 70 E HN . 51781 2 300 . 2 . 2 70 70 GLU C C 13 175.691 . . 1 . . . . . 70 E C . 51781 2 301 . 2 . 2 70 70 GLU CA C 13 56.541 . . 1 . . . . . 70 E CA . 51781 2 302 . 2 . 2 70 70 GLU CB C 13 29.249 . . 1 . . . . . 70 E CB . 51781 2 303 . 2 . 2 70 70 GLU N N 15 129.815 . . 1 . . . . . 70 E N . 51781 2 304 . 2 . 2 71 71 PHE H H 1 8.537 . . 1 . . . . . 71 F HN . 51781 2 305 . 2 . 2 71 71 PHE C C 13 171.857 . . 1 . . . . . 71 F C . 51781 2 306 . 2 . 2 71 71 PHE CA C 13 54.957 . . 1 . . . . . 71 F CA . 51781 2 307 . 2 . 2 71 71 PHE CB C 13 40.272 . . 1 . . . . . 71 F CB . 51781 2 308 . 2 . 2 71 71 PHE N N 15 125.516 . . 1 . . . . . 71 F N . 51781 2 309 . 2 . 2 72 72 THR H H 1 8.195 . . 1 . . . . . 72 T HN . 51781 2 310 . 2 . 2 72 72 THR CA C 13 58.225 . . 1 . . . . . 72 T CA . 51781 2 311 . 2 . 2 72 72 THR CB C 13 69.379 . . 1 . . . . . 72 T CB . 51781 2 312 . 2 . 2 72 72 THR N N 15 118.014 . . 1 . . . . . 72 T N . 51781 2 313 . 2 . 2 73 73 PRO C C 13 174.720 . . 1 . . . . . 73 P C . 51781 2 314 . 2 . 2 74 74 THR H H 1 7.945 . . 1 . . . . . 74 T HN . 51781 2 315 . 2 . 2 74 74 THR C C 13 175.234 . . 1 . . . . . 74 T C . 51781 2 316 . 2 . 2 74 74 THR CA C 13 59.655 . . 1 . . . . . 74 T CA . 51781 2 317 . 2 . 2 74 74 THR CB C 13 72.445 . . 1 . . . . . 74 T CB . 51781 2 318 . 2 . 2 74 74 THR N N 15 110.711 . . 1 . . . . . 74 T N . 51781 2 319 . 2 . 2 75 75 GLU H H 1 8.993 . . 1 . . . . . 75 E HN . 51781 2 320 . 2 . 2 75 75 GLU C C 13 177.928 . . 1 . . . . . 75 E C . 51781 2 321 . 2 . 2 75 75 GLU CA C 13 58.487 . . 1 . . . . . 75 E CA . 51781 2 322 . 2 . 2 75 75 GLU CB C 13 29.317 . . 1 . . . . . 75 E CB . 51781 2 323 . 2 . 2 75 75 GLU N N 15 119.205 . . 1 . . . . . 75 E N . 51781 2 324 . 2 . 2 76 76 LYS H H 1 7.762 . . 1 . . . . . 76 K HN . 51781 2 325 . 2 . 2 76 76 LYS C C 13 176.879 . . 1 . . . . . 76 K C . 51781 2 326 . 2 . 2 76 76 LYS CA C 13 56.053 . . 1 . . . . . 76 K CA . 51781 2 327 . 2 . 2 76 76 LYS CB C 13 33.322 . . 1 . . . . . 76 K CB . 51781 2 328 . 2 . 2 76 76 LYS N N 15 114.228 . . 1 . . . . . 76 K N . 51781 2 329 . 2 . 2 77 77 ASP H H 1 7.079 . . 1 . . . . . 77 D HN . 51781 2 330 . 2 . 2 77 77 ASP C C 13 175.115 . . 1 . . . . . 77 D C . 51781 2 331 . 2 . 2 77 77 ASP CA C 13 55.176 . . 1 . . . . . 77 D CA . 51781 2 332 . 2 . 2 77 77 ASP CB C 13 42.714 . . 1 . . . . . 77 D CB . 51781 2 333 . 2 . 2 77 77 ASP N N 15 118.604 . . 1 . . . . . 77 D N . 51781 2 334 . 2 . 2 78 78 GLU H H 1 8.573 . . 1 . . . . . 78 E HN . 51781 2 335 . 2 . 2 78 78 GLU C C 13 174.920 . . 1 . . . . . 78 E C . 51781 2 336 . 2 . 2 78 78 GLU CA C 13 54.512 . . 1 . . . . . 78 E CA . 51781 2 337 . 2 . 2 78 78 GLU CB C 13 31.960 . . 1 . . . . . 78 E CB . 51781 2 338 . 2 . 2 78 78 GLU N N 15 123.782 . . 1 . . . . . 78 E N . 51781 2 339 . 2 . 2 79 79 TYR H H 1 9.409 . . 1 . . . . . 79 Y HN . 51781 2 340 . 2 . 2 79 79 TYR C C 13 175.387 . . 1 . . . . . 79 Y C . 51781 2 341 . 2 . 2 79 79 TYR CA C 13 56.401 . . 1 . . . . . 79 Y CA . 51781 2 342 . 2 . 2 79 79 TYR CB C 13 42.098 . . 1 . . . . . 79 Y CB . 51781 2 343 . 2 . 2 79 79 TYR N N 15 124.353 . . 1 . . . . . 79 Y N . 51781 2 344 . 2 . 2 80 80 ALA H H 1 8.739 . . 1 . . . . . 80 A HN . 51781 2 345 . 2 . 2 80 80 ALA C C 13 173.698 . . 1 . . . . . 80 A C . 51781 2 346 . 2 . 2 80 80 ALA CA C 13 50.735 . . 1 . . . . . 80 A CA . 51781 2 347 . 2 . 2 80 80 ALA CB C 13 23.344 . . 1 . . . . . 80 A CB . 51781 2 348 . 2 . 2 80 80 ALA N N 15 121.678 . . 1 . . . . . 80 A N . 51781 2 349 . 2 . 2 81 81 CYS H H 1 9.036 . . 1 . . . . . 81 C HN . 51781 2 350 . 2 . 2 81 81 CYS C C 13 171.173 . . 1 . . . . . 81 C C . 51781 2 351 . 2 . 2 81 81 CYS CA C 13 52.536 . . 1 . . . . . 81 C CA . 51781 2 352 . 2 . 2 81 81 CYS CB C 13 42.909 . . 1 . . . . . 81 C CB . 51781 2 353 . 2 . 2 81 81 CYS N N 15 120.349 . . 1 . . . . . 81 C N . 51781 2 354 . 2 . 2 82 82 ARG H H 1 9.318 . . 1 . . . . . 82 R HN . 51781 2 355 . 2 . 2 82 82 ARG C C 13 174.023 . . 1 . . . . . 82 R C . 51781 2 356 . 2 . 2 82 82 ARG CA C 13 53.383 . . 1 . . . . . 82 R CA . 51781 2 357 . 2 . 2 82 82 ARG CB C 13 32.940 . . 1 . . . . . 82 R CB . 51781 2 358 . 2 . 2 82 82 ARG N N 15 129.098 . . 1 . . . . . 82 R N . 51781 2 359 . 2 . 2 83 83 VAL H H 1 9.050 . . 1 . . . . . 83 V HN . 51781 2 360 . 2 . 2 83 83 VAL C C 13 173.402 . . 1 . . . . . 83 V C . 51781 2 361 . 2 . 2 83 83 VAL CA C 13 60.030 . . 1 . . . . . 83 V CA . 51781 2 362 . 2 . 2 83 83 VAL CB C 13 34.951 . . 1 . . . . . 83 V CB . 51781 2 363 . 2 . 2 83 83 VAL N N 15 128.783 . . 1 . . . . . 83 V N . 51781 2 364 . 2 . 2 84 84 ASN H H 1 8.996 . . 1 . . . . . 84 N HN . 51781 2 365 . 2 . 2 84 84 ASN C C 13 172.785 . . 1 . . . . . 84 N C . 51781 2 366 . 2 . 2 84 84 ASN CA C 13 50.704 . . 1 . . . . . 84 N CA . 51781 2 367 . 2 . 2 84 84 ASN CB C 13 40.974 . . 1 . . . . . 84 N CB . 51781 2 368 . 2 . 2 84 84 ASN N N 15 123.912 . . 1 . . . . . 84 N N . 51781 2 369 . 2 . 2 85 85 HIS H H 1 7.689 . . 1 . . . . . 85 H HN . 51781 2 370 . 2 . 2 85 85 HIS C C 13 175.225 . . 1 . . . . . 85 H C . 51781 2 371 . 2 . 2 85 85 HIS CA C 13 56.752 . . 1 . . . . . 85 H CA . 51781 2 372 . 2 . 2 85 85 HIS CB C 13 35.462 . . 1 . . . . . 85 H CB . 51781 2 373 . 2 . 2 85 85 HIS N N 15 123.227 . . 1 . . . . . 85 H N . 51781 2 374 . 2 . 2 86 86 VAL H H 1 8.045 . . 1 . . . . . 86 V HN . 51781 2 375 . 2 . 2 86 86 VAL C C 13 175.288 . . 1 . . . . . 86 V C . 51781 2 376 . 2 . 2 86 86 VAL CA C 13 64.199 . . 1 . . . . . 86 V CA . 51781 2 377 . 2 . 2 86 86 VAL CB C 13 30.426 . . 1 . . . . . 86 V CB . 51781 2 378 . 2 . 2 86 86 VAL N N 15 125.661 . . 1 . . . . . 86 V N . 51781 2 379 . 2 . 2 87 87 THR H H 1 7.368 . . 1 . . . . . 87 T HN . 51781 2 380 . 2 . 2 87 87 THR C C 13 174.588 . . 1 . . . . . 87 T C . 51781 2 381 . 2 . 2 87 87 THR CA C 13 62.684 . . 1 . . . . . 87 T CA . 51781 2 382 . 2 . 2 87 87 THR CB C 13 69.233 . . 1 . . . . . 87 T CB . 51781 2 383 . 2 . 2 87 87 THR N N 15 110.986 . . 1 . . . . . 87 T N . 51781 2 384 . 2 . 2 88 88 LEU H H 1 7.954 . . 1 . . . . . 88 L HN . 51781 2 385 . 2 . 2 88 88 LEU CA C 13 53.036 . . 1 . . . . . 88 L CA . 51781 2 386 . 2 . 2 88 88 LEU CB C 13 41.794 . . 1 . . . . . 88 L CB . 51781 2 387 . 2 . 2 88 88 LEU N N 15 123.887 . . 1 . . . . . 88 L N . 51781 2 388 . 2 . 2 89 89 SER C C 13 174.156 . . 1 . . . . . 89 S C . 51781 2 389 . 2 . 2 90 90 GLN H H 1 7.425 . . 1 . . . . . 90 Q HN . 51781 2 390 . 2 . 2 90 90 GLN CA C 13 52.805 . . 1 . . . . . 90 Q CA . 51781 2 391 . 2 . 2 90 90 GLN CB C 13 29.169 . . 1 . . . . . 90 Q CB . 51781 2 392 . 2 . 2 90 90 GLN N N 15 117.812 . . 1 . . . . . 90 Q N . 51781 2 393 . 2 . 2 91 91 PRO C C 13 175.862 . . 1 . . . . . 91 P C . 51781 2 394 . 2 . 2 92 92 LYS H H 1 8.748 . . 1 . . . . . 92 K HN . 51781 2 395 . 2 . 2 92 92 LYS C C 13 174.671 . . 1 . . . . . 92 K C . 51781 2 396 . 2 . 2 92 92 LYS CA C 13 54.624 . . 1 . . . . . 92 K CA . 51781 2 397 . 2 . 2 92 92 LYS CB C 13 34.397 . . 1 . . . . . 92 K CB . 51781 2 398 . 2 . 2 92 92 LYS N N 15 125.981 . . 1 . . . . . 92 K N . 51781 2 399 . 2 . 2 93 93 ILE H H 1 8.494 . . 1 . . . . . 93 I HN . 51781 2 400 . 2 . 2 93 93 ILE C C 13 175.777 . . 1 . . . . . 93 I C . 51781 2 401 . 2 . 2 93 93 ILE CA C 13 60.013 . . 1 . . . . . 93 I CA . 51781 2 402 . 2 . 2 93 93 ILE CB C 13 38.061 . . 1 . . . . . 93 I CB . 51781 2 403 . 2 . 2 93 93 ILE N N 15 125.891 . . 1 . . . . . 93 I N . 51781 2 404 . 2 . 2 94 94 VAL H H 1 8.967 . . 1 . . . . . 94 V HN . 51781 2 405 . 2 . 2 94 94 VAL C C 13 175.279 . . 1 . . . . . 94 V C . 51781 2 406 . 2 . 2 94 94 VAL CA C 13 60.880 . . 1 . . . . . 94 V CA . 51781 2 407 . 2 . 2 94 94 VAL CB C 13 33.122 . . 1 . . . . . 94 V CB . 51781 2 408 . 2 . 2 94 94 VAL N N 15 130.209 . . 1 . . . . . 94 V N . 51781 2 409 . 2 . 2 95 95 LYS H H 1 8.825 . . 1 . . . . . 95 K HN . 51781 2 410 . 2 . 2 95 95 LYS C C 13 176.369 . . 1 . . . . . 95 K C . 51781 2 411 . 2 . 2 95 95 LYS CA C 13 56.221 . . 1 . . . . . 95 K CA . 51781 2 412 . 2 . 2 95 95 LYS CB C 13 32.724 . . 1 . . . . . 95 K CB . 51781 2 413 . 2 . 2 95 95 LYS N N 15 128.491 . . 1 . . . . . 95 K N . 51781 2 414 . 2 . 2 96 96 TRP H H 1 8.944 . . 1 . . . . . 96 W HN . 51781 2 415 . 2 . 2 96 96 TRP C C 13 173.852 . . 1 . . . . . 96 W C . 51781 2 416 . 2 . 2 96 96 TRP CA C 13 57.754 . . 1 . . . . . 96 W CA . 51781 2 417 . 2 . 2 96 96 TRP CB C 13 27.662 . . 1 . . . . . 96 W CB . 51781 2 418 . 2 . 2 96 96 TRP N N 15 123.485 . . 1 . . . . . 96 W N . 51781 2 419 . 2 . 2 97 97 ASP H H 1 8.445 . . 1 . . . . . 97 D HN . 51781 2 420 . 2 . 2 97 97 ASP C C 13 172.776 . . 1 . . . . . 97 D C . 51781 2 421 . 2 . 2 97 97 ASP CA C 13 52.073 . . 1 . . . . . 97 D CA . 51781 2 422 . 2 . 2 97 97 ASP CB C 13 42.707 . . 1 . . . . . 97 D CB . 51781 2 423 . 2 . 2 97 97 ASP N N 15 132.927 . . 1 . . . . . 97 D N . 51781 2 424 . 2 . 2 98 98 ARG H H 1 7.654 . . 1 . . . . . 98 R HN . 51781 2 425 . 2 . 2 98 98 ARG C C 13 175.810 . . 1 . . . . . 98 R C . 51781 2 426 . 2 . 2 98 98 ARG CA C 13 57.033 . . 1 . . . . . 98 R CA . 51781 2 427 . 2 . 2 98 98 ARG CB C 13 29.214 . . 1 . . . . . 98 R CB . 51781 2 428 . 2 . 2 98 98 ARG N N 15 123.190 . . 1 . . . . . 98 R N . 51781 2 429 . 2 . 2 99 99 ASP H H 1 8.502 . . 1 . . . . . 99 D HN . 51781 2 430 . 2 . 2 99 99 ASP C C 13 173.800 . . 1 . . . . . 99 D C . 51781 2 431 . 2 . 2 99 99 ASP CA C 13 53.993 . . 1 . . . . . 99 D CA . 51781 2 432 . 2 . 2 99 99 ASP CB C 13 41.285 . . 1 . . . . . 99 D CB . 51781 2 433 . 2 . 2 99 99 ASP N N 15 120.997 . . 1 . . . . . 99 D N . 51781 2 434 . 2 . 2 100 100 MET H H 1 7.631 . . 1 . . . . . 100 M HN . 51781 2 435 . 2 . 2 100 100 MET CA C 13 56.939 . . 1 . . . . . 100 M CA . 51781 2 436 . 2 . 2 100 100 MET CB C 13 36.082 . . 1 . . . . . 100 M CB . 51781 2 437 . 2 . 2 100 100 MET N N 15 122.631 . . 1 . . . . . 100 M N . 51781 2 stop_ save_