data_26977 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26977 _Entry.Title ; An allosteric site in the T cell receptor constant domain plays a critical role in T cell signaling ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-19 _Entry.Accession_date 2016-12-19 _Entry.Last_release_date 2016-12-19 _Entry.Original_release_date 2016-12-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Andrew McShan . C. . . 26977 2 Kannan Natarajan . . . . 26977 3 Jiansheng Jiang . . . . 26977 4 Vlad Kumirov . K. . . 26977 5 Rui Wang . . . . 26977 6 Huaying Zhao . . . . 26977 7 Peter Schuck . . . . 26977 8 Mulualem Tilahun . E. . . 26977 9 Lisa Boyd . F. . . 26977 10 Jinfa Ying . . . . 26977 11 Ad Bax . . . . 26977 12 David Margulies . H. . . 26977 13 Nikolaos Sgourakis . G. . . 26977 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Sgourakis lab, University of California, Santa Cruz' . 26977 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26977 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 698 26977 '15N chemical shifts' 197 26977 '1H chemical shifts' 470 26977 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 . . 2017-05-23 . original BMRB . 26977 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26977 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/ncomms15260 _Citation.PubMed_ID 28508865 _Citation.Full_citation . _Citation.Title ; An allosteric site in the T-cell receptor Cbeta domain plays a critical signalling role ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 8 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 15260 _Citation.Page_last 15260 _Citation.Year 2017 _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 Kannan Natarajan K. . . . 26977 1 2 Andrew McShan A. C. . . 26977 1 3 Jiansheng Jiang J. . . . 26977 1 4 Vlad Kumirov V. K. . . 26977 1 5 Rui Wang R. . . . 26977 1 6 Huaying Zhao H. . . . 26977 1 7 Peter Schuck P. . . . 26977 1 8 Mulualem Tilahun M. E. . . 26977 1 9 Lisa Boyd L. F. . . 26977 1 10 Jinfa Ying J. . . . 26977 1 11 Ad Bax A. . . . 26977 1 12 David Margulies D. H. . . 26977 1 13 Nikolaos Sgourakis N. G. . . 26977 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CD3 26977 1 MHC 26977 1 'T cell receptor' 26977 1 'antigen recognition' 26977 1 'methyl assignments' 26977 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26977 _Assembly.ID 1 _Assembly.Name 'Beta-chain labeled B4.2.3 TCR' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Beta-chain 1 $B4.2.3_T-cell_receptor_Beta-chain A . yes native no no . . . 26977 1 2 Alpha-chain 2 $B4.2.3_T-cell_receptor_Alpha-chain A . no native no no . . . 26977 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_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_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 167 167 SG . 2 . 2 CYS 162 162 SG . Beta-chain 167 CYS S . Alpha-chain 163 CYS S 26977 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 51W1 . . X-ray 2.0 'same molecule' . 26977 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'T cell differentiation' 26977 1 'cell-mediated immunity' 26977 1 'thymic selection' 26977 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_B4.2.3_T-cell_receptor_Beta-chain _Entity.Sf_category entity _Entity.Sf_framecode B4.2.3_T-cell_receptor_Beta-chain _Entity.Entry_ID 26977 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name B4.2.3_T-cell_receptor_Beta-chain _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 ; MKVTQMPRYLIKRMGENVLL ECGQDMSHETMYWYRQDPGL GLQLIYISYDVDSNSEGDIP KGYRVSRKKREHFSLILDSA KTNQTSVYFCASSLGHTEVF FGKGTRLTVVEDLRNVTPPK VSLFEPSKAEIANKQKATLV CLARGFFPDHVELSWWVNGK EVHSGVCTDPQAYKESNYSY ALSSRLRVSATFWHNPRNHF RCQVQFHGLSEEDKWPEGSP KPVTQNISAEAWGRAD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Ecotodomain of B4.2.3 T-cell receptor Beta-chain' _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 236 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 26977 1 2 . LYS . 26977 1 3 . VAL . 26977 1 4 . THR . 26977 1 5 . GLN . 26977 1 6 . MET . 26977 1 7 . PRO . 26977 1 8 . ARG . 26977 1 9 . TYR . 26977 1 10 . LEU . 26977 1 11 . ILE . 26977 1 12 . LYS . 26977 1 13 . ARG . 26977 1 14 . MET . 26977 1 15 . GLY . 26977 1 16 . GLU . 26977 1 17 . ASN . 26977 1 18 . VAL . 26977 1 19 . LEU . 26977 1 20 . LEU . 26977 1 21 . GLU . 26977 1 22 . CYS . 26977 1 23 . GLY . 26977 1 24 . GLN . 26977 1 25 . ASP . 26977 1 26 . MET . 26977 1 27 . SER . 26977 1 28 . HIS . 26977 1 29 . GLU . 26977 1 30 . THR . 26977 1 31 . MET . 26977 1 32 . TYR . 26977 1 33 . TRP . 26977 1 34 . TYR . 26977 1 35 . ARG . 26977 1 36 . GLN . 26977 1 37 . ASP . 26977 1 38 . PRO . 26977 1 39 . GLY . 26977 1 40 . LEU . 26977 1 41 . GLY . 26977 1 42 . LEU . 26977 1 43 . GLN . 26977 1 44 . LEU . 26977 1 45 . ILE . 26977 1 46 . TYR . 26977 1 47 . ILE . 26977 1 48 . SER . 26977 1 49 . TYR . 26977 1 50 . ASP . 26977 1 51 . VAL . 26977 1 52 . ASP . 26977 1 53 . SER . 26977 1 54 . ASN . 26977 1 55 . SER . 26977 1 56 . GLU . 26977 1 57 . GLY . 26977 1 58 . ASP . 26977 1 59 . ILE . 26977 1 60 . PRO . 26977 1 61 . LYS . 26977 1 62 . GLY . 26977 1 63 . TYR . 26977 1 64 . ARG . 26977 1 65 . VAL . 26977 1 66 . SER . 26977 1 67 . ARG . 26977 1 68 . LYS . 26977 1 69 . LYS . 26977 1 70 . ARG . 26977 1 71 . GLU . 26977 1 72 . HIS . 26977 1 73 . PHE . 26977 1 74 . SER . 26977 1 75 . LEU . 26977 1 76 . ILE . 26977 1 77 . LEU . 26977 1 78 . ASP . 26977 1 79 . SER . 26977 1 80 . ALA . 26977 1 81 . LYS . 26977 1 82 . THR . 26977 1 83 . ASN . 26977 1 84 . GLN . 26977 1 85 . THR . 26977 1 86 . SER . 26977 1 87 . VAL . 26977 1 88 . TYR . 26977 1 89 . PHE . 26977 1 90 . CYS . 26977 1 91 . ALA . 26977 1 92 . SER . 26977 1 93 . SER . 26977 1 94 . LEU . 26977 1 95 . GLY . 26977 1 96 . HIS . 26977 1 97 . THR . 26977 1 98 . GLU . 26977 1 99 . VAL . 26977 1 100 . PHE . 26977 1 101 . PHE . 26977 1 102 . GLY . 26977 1 103 . LYS . 26977 1 104 . GLY . 26977 1 105 . THR . 26977 1 106 . ARG . 26977 1 107 . LEU . 26977 1 108 . THR . 26977 1 109 . VAL . 26977 1 110 . VAL . 26977 1 111 . GLU . 26977 1 112 . ASP . 26977 1 113 . LEU . 26977 1 114 . ARG . 26977 1 115 . ASN . 26977 1 116 . VAL . 26977 1 117 . THR . 26977 1 118 . PRO . 26977 1 119 . PRO . 26977 1 120 . LYS . 26977 1 121 . VAL . 26977 1 122 . SER . 26977 1 123 . LEU . 26977 1 124 . PHE . 26977 1 125 . GLU . 26977 1 126 . PRO . 26977 1 127 . SER . 26977 1 128 . LYS . 26977 1 129 . ALA . 26977 1 130 . GLU . 26977 1 131 . ILE . 26977 1 132 . ALA . 26977 1 133 . ASN . 26977 1 134 . LYS . 26977 1 135 . GLN . 26977 1 136 . LYS . 26977 1 137 . ALA . 26977 1 138 . THR . 26977 1 139 . LEU . 26977 1 140 . VAL . 26977 1 141 . CYS . 26977 1 142 . LEU . 26977 1 143 . ALA . 26977 1 144 . ARG . 26977 1 145 . GLY . 26977 1 146 . PHE . 26977 1 147 . PHE . 26977 1 148 . PRO . 26977 1 149 . ASP . 26977 1 150 . HIS . 26977 1 151 . VAL . 26977 1 152 . GLU . 26977 1 153 . LEU . 26977 1 154 . SER . 26977 1 155 . TRP . 26977 1 156 . TRP . 26977 1 157 . VAL . 26977 1 158 . ASN . 26977 1 159 . GLY . 26977 1 160 . LYS . 26977 1 161 . GLU . 26977 1 162 . VAL . 26977 1 163 . HIS . 26977 1 164 . SER . 26977 1 165 . GLY . 26977 1 166 . VAL . 26977 1 167 . CYS . 26977 1 168 . THR . 26977 1 169 . ASP . 26977 1 170 . PRO . 26977 1 171 . GLN . 26977 1 172 . ALA . 26977 1 173 . TYR . 26977 1 174 . LYS . 26977 1 175 . GLU . 26977 1 176 . SER . 26977 1 177 . ASN . 26977 1 178 . TYR . 26977 1 179 . SER . 26977 1 180 . TYR . 26977 1 181 . ALA . 26977 1 182 . LEU . 26977 1 183 . SER . 26977 1 184 . SER . 26977 1 185 . ARG . 26977 1 186 . LEU . 26977 1 187 . ARG . 26977 1 188 . VAL . 26977 1 189 . SER . 26977 1 190 . ALA . 26977 1 191 . THR . 26977 1 192 . PHE . 26977 1 193 . TRP . 26977 1 194 . HIS . 26977 1 195 . ASN . 26977 1 196 . PRO . 26977 1 197 . ARG . 26977 1 198 . ASN . 26977 1 199 . HIS . 26977 1 200 . PHE . 26977 1 201 . ARG . 26977 1 202 . CYS . 26977 1 203 . GLN . 26977 1 204 . VAL . 26977 1 205 . GLN . 26977 1 206 . PHE . 26977 1 207 . HIS . 26977 1 208 . GLY . 26977 1 209 . LEU . 26977 1 210 . SER . 26977 1 211 . GLU . 26977 1 212 . GLU . 26977 1 213 . ASP . 26977 1 214 . LYS . 26977 1 215 . TRP . 26977 1 216 . PRO . 26977 1 217 . GLU . 26977 1 218 . GLY . 26977 1 219 . SER . 26977 1 220 . PRO . 26977 1 221 . LYS . 26977 1 222 . PRO . 26977 1 223 . VAL . 26977 1 224 . THR . 26977 1 225 . GLN . 26977 1 226 . ASN . 26977 1 227 . ILE . 26977 1 228 . SER . 26977 1 229 . ALA . 26977 1 230 . GLU . 26977 1 231 . ALA . 26977 1 232 . TRP . 26977 1 233 . GLY . 26977 1 234 . ARG . 26977 1 235 . ALA . 26977 1 236 . ASP . 26977 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 26977 1 . LYS 2 2 26977 1 . VAL 3 3 26977 1 . THR 4 4 26977 1 . GLN 5 5 26977 1 . MET 6 6 26977 1 . PRO 7 7 26977 1 . ARG 8 8 26977 1 . TYR 9 9 26977 1 . LEU 10 10 26977 1 . ILE 11 11 26977 1 . LYS 12 12 26977 1 . ARG 13 13 26977 1 . MET 14 14 26977 1 . GLY 15 15 26977 1 . GLU 16 16 26977 1 . ASN 17 17 26977 1 . VAL 18 18 26977 1 . LEU 19 19 26977 1 . LEU 20 20 26977 1 . GLU 21 21 26977 1 . CYS 22 22 26977 1 . GLY 23 23 26977 1 . GLN 24 24 26977 1 . ASP 25 25 26977 1 . MET 26 26 26977 1 . SER 27 27 26977 1 . HIS 28 28 26977 1 . GLU 29 29 26977 1 . THR 30 30 26977 1 . MET 31 31 26977 1 . TYR 32 32 26977 1 . TRP 33 33 26977 1 . TYR 34 34 26977 1 . ARG 35 35 26977 1 . GLN 36 36 26977 1 . ASP 37 37 26977 1 . PRO 38 38 26977 1 . GLY 39 39 26977 1 . LEU 40 40 26977 1 . GLY 41 41 26977 1 . LEU 42 42 26977 1 . GLN 43 43 26977 1 . LEU 44 44 26977 1 . ILE 45 45 26977 1 . TYR 46 46 26977 1 . ILE 47 47 26977 1 . SER 48 48 26977 1 . TYR 49 49 26977 1 . ASP 50 50 26977 1 . VAL 51 51 26977 1 . ASP 52 52 26977 1 . SER 53 53 26977 1 . ASN 54 54 26977 1 . SER 55 55 26977 1 . GLU 56 56 26977 1 . GLY 57 57 26977 1 . ASP 58 58 26977 1 . ILE 59 59 26977 1 . PRO 60 60 26977 1 . LYS 61 61 26977 1 . GLY 62 62 26977 1 . TYR 63 63 26977 1 . ARG 64 64 26977 1 . VAL 65 65 26977 1 . SER 66 66 26977 1 . ARG 67 67 26977 1 . LYS 68 68 26977 1 . LYS 69 69 26977 1 . ARG 70 70 26977 1 . GLU 71 71 26977 1 . HIS 72 72 26977 1 . PHE 73 73 26977 1 . SER 74 74 26977 1 . LEU 75 75 26977 1 . ILE 76 76 26977 1 . LEU 77 77 26977 1 . ASP 78 78 26977 1 . SER 79 79 26977 1 . ALA 80 80 26977 1 . LYS 81 81 26977 1 . THR 82 82 26977 1 . ASN 83 83 26977 1 . GLN 84 84 26977 1 . THR 85 85 26977 1 . SER 86 86 26977 1 . VAL 87 87 26977 1 . TYR 88 88 26977 1 . PHE 89 89 26977 1 . CYS 90 90 26977 1 . ALA 91 91 26977 1 . SER 92 92 26977 1 . SER 93 93 26977 1 . LEU 94 94 26977 1 . GLY 95 95 26977 1 . HIS 96 96 26977 1 . THR 97 97 26977 1 . GLU 98 98 26977 1 . VAL 99 99 26977 1 . PHE 100 100 26977 1 . PHE 101 101 26977 1 . GLY 102 102 26977 1 . LYS 103 103 26977 1 . GLY 104 104 26977 1 . THR 105 105 26977 1 . ARG 106 106 26977 1 . LEU 107 107 26977 1 . THR 108 108 26977 1 . VAL 109 109 26977 1 . VAL 110 110 26977 1 . GLU 111 111 26977 1 . ASP 112 112 26977 1 . LEU 113 113 26977 1 . ARG 114 114 26977 1 . ASN 115 115 26977 1 . VAL 116 116 26977 1 . THR 117 117 26977 1 . PRO 118 118 26977 1 . PRO 119 119 26977 1 . LYS 120 120 26977 1 . VAL 121 121 26977 1 . SER 122 122 26977 1 . LEU 123 123 26977 1 . PHE 124 124 26977 1 . GLU 125 125 26977 1 . PRO 126 126 26977 1 . SER 127 127 26977 1 . LYS 128 128 26977 1 . ALA 129 129 26977 1 . GLU 130 130 26977 1 . ILE 131 131 26977 1 . ALA 132 132 26977 1 . ASN 133 133 26977 1 . LYS 134 134 26977 1 . GLN 135 135 26977 1 . LYS 136 136 26977 1 . ALA 137 137 26977 1 . THR 138 138 26977 1 . LEU 139 139 26977 1 . VAL 140 140 26977 1 . CYS 141 141 26977 1 . LEU 142 142 26977 1 . ALA 143 143 26977 1 . ARG 144 144 26977 1 . GLY 145 145 26977 1 . PHE 146 146 26977 1 . PHE 147 147 26977 1 . PRO 148 148 26977 1 . ASP 149 149 26977 1 . HIS 150 150 26977 1 . VAL 151 151 26977 1 . GLU 152 152 26977 1 . LEU 153 153 26977 1 . SER 154 154 26977 1 . TRP 155 155 26977 1 . TRP 156 156 26977 1 . VAL 157 157 26977 1 . ASN 158 158 26977 1 . GLY 159 159 26977 1 . LYS 160 160 26977 1 . GLU 161 161 26977 1 . VAL 162 162 26977 1 . HIS 163 163 26977 1 . SER 164 164 26977 1 . GLY 165 165 26977 1 . VAL 166 166 26977 1 . CYS 167 167 26977 1 . THR 168 168 26977 1 . ASP 169 169 26977 1 . PRO 170 170 26977 1 . GLN 171 171 26977 1 . ALA 172 172 26977 1 . TYR 173 173 26977 1 . LYS 174 174 26977 1 . GLU 175 175 26977 1 . SER 176 176 26977 1 . ASN 177 177 26977 1 . TYR 178 178 26977 1 . SER 179 179 26977 1 . TYR 180 180 26977 1 . ALA 181 181 26977 1 . LEU 182 182 26977 1 . SER 183 183 26977 1 . SER 184 184 26977 1 . ARG 185 185 26977 1 . LEU 186 186 26977 1 . ARG 187 187 26977 1 . VAL 188 188 26977 1 . SER 189 189 26977 1 . ALA 190 190 26977 1 . THR 191 191 26977 1 . PHE 192 192 26977 1 . TRP 193 193 26977 1 . HIS 194 194 26977 1 . ASN 195 195 26977 1 . PRO 196 196 26977 1 . ARG 197 197 26977 1 . ASN 198 198 26977 1 . HIS 199 199 26977 1 . PHE 200 200 26977 1 . ARG 201 201 26977 1 . CYS 202 202 26977 1 . GLN 203 203 26977 1 . VAL 204 204 26977 1 . GLN 205 205 26977 1 . PHE 206 206 26977 1 . HIS 207 207 26977 1 . GLY 208 208 26977 1 . LEU 209 209 26977 1 . SER 210 210 26977 1 . GLU 211 211 26977 1 . GLU 212 212 26977 1 . ASP 213 213 26977 1 . LYS 214 214 26977 1 . TRP 215 215 26977 1 . PRO 216 216 26977 1 . GLU 217 217 26977 1 . GLY 218 218 26977 1 . SER 219 219 26977 1 . PRO 220 220 26977 1 . LYS 221 221 26977 1 . PRO 222 222 26977 1 . VAL 223 223 26977 1 . THR 224 224 26977 1 . GLN 225 225 26977 1 . ASN 226 226 26977 1 . ILE 227 227 26977 1 . SER 228 228 26977 1 . ALA 229 229 26977 1 . GLU 230 230 26977 1 . ALA 231 231 26977 1 . TRP 232 232 26977 1 . GLY 233 233 26977 1 . ARG 234 234 26977 1 . ALA 235 235 26977 1 . ASP 236 236 26977 1 stop_ save_ save_B4.2.3_T-cell_receptor_Alpha-chain _Entity.Sf_category entity _Entity.Sf_framecode B4.2.3_T-cell_receptor_Alpha-chain _Entity.Entry_ID 26977 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name B4.2.3_T-cell_receptor_Alpha-chain _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 ; MQQVRQSPQSLTVWEGETAI LNCSYENSAFDYFPWYQQFP GEGPALLISILSVSNKKEDG RFTIFFNKREKKLSLHIADS QPGDSATYFCAASASFGDNS KLIWGLGTSLVVNPNIQNPE PAVYQLKDPRSQDSTLCLFT DFDSQINVPKTMEPGTFITD KCVLDMKAMDSKSNGAIAWS NQTSFTCQDIFKETNATYPS SDVP ; _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 204 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 26977 2 2 . GLN . 26977 2 3 . GLN . 26977 2 4 . VAL . 26977 2 5 . ARG . 26977 2 6 . GLN . 26977 2 7 . SER . 26977 2 8 . PRO . 26977 2 9 . GLN . 26977 2 10 . SER . 26977 2 11 . LEU . 26977 2 12 . THR . 26977 2 13 . VAL . 26977 2 14 . TRP . 26977 2 15 . GLU . 26977 2 16 . GLY . 26977 2 17 . GLU . 26977 2 18 . THR . 26977 2 19 . ALA . 26977 2 20 . ILE . 26977 2 21 . LEU . 26977 2 22 . ASN . 26977 2 23 . CYS . 26977 2 24 . SER . 26977 2 25 . TYR . 26977 2 26 . GLU . 26977 2 27 . ASN . 26977 2 28 . SER . 26977 2 29 . ALA . 26977 2 30 . PHE . 26977 2 31 . ASP . 26977 2 32 . TYR . 26977 2 33 . PHE . 26977 2 34 . PRO . 26977 2 35 . TRP . 26977 2 36 . TYR . 26977 2 37 . GLN . 26977 2 38 . GLN . 26977 2 39 . PHE . 26977 2 40 . PRO . 26977 2 41 . GLY . 26977 2 42 . GLU . 26977 2 43 . GLY . 26977 2 44 . PRO . 26977 2 45 . ALA . 26977 2 46 . LEU . 26977 2 47 . LEU . 26977 2 48 . ILE . 26977 2 49 . SER . 26977 2 50 . ILE . 26977 2 51 . LEU . 26977 2 52 . SER . 26977 2 53 . VAL . 26977 2 54 . SER . 26977 2 55 . ASN . 26977 2 56 . LYS . 26977 2 57 . LYS . 26977 2 58 . GLU . 26977 2 59 . ASP . 26977 2 60 . GLY . 26977 2 61 . ARG . 26977 2 62 . PHE . 26977 2 63 . THR . 26977 2 64 . ILE . 26977 2 65 . PHE . 26977 2 66 . PHE . 26977 2 67 . ASN . 26977 2 68 . LYS . 26977 2 69 . ARG . 26977 2 70 . GLU . 26977 2 71 . LYS . 26977 2 72 . LYS . 26977 2 73 . LEU . 26977 2 74 . SER . 26977 2 75 . LEU . 26977 2 76 . HIS . 26977 2 77 . ILE . 26977 2 78 . ALA . 26977 2 79 . ASP . 26977 2 80 . SER . 26977 2 81 . GLN . 26977 2 82 . PRO . 26977 2 83 . GLY . 26977 2 84 . ASP . 26977 2 85 . SER . 26977 2 86 . ALA . 26977 2 87 . THR . 26977 2 88 . TYR . 26977 2 89 . PHE . 26977 2 90 . CYS . 26977 2 91 . ALA . 26977 2 92 . ALA . 26977 2 93 . SER . 26977 2 94 . ALA . 26977 2 95 . SER . 26977 2 96 . PHE . 26977 2 97 . GLY . 26977 2 98 . ASP . 26977 2 99 . ASN . 26977 2 100 . SER . 26977 2 101 . LYS . 26977 2 102 . LEU . 26977 2 103 . ILE . 26977 2 104 . TRP . 26977 2 105 . GLY . 26977 2 106 . LEU . 26977 2 107 . GLY . 26977 2 108 . THR . 26977 2 109 . SER . 26977 2 110 . LEU . 26977 2 111 . VAL . 26977 2 112 . VAL . 26977 2 113 . ASN . 26977 2 114 . PRO . 26977 2 115 . ASN . 26977 2 116 . ILE . 26977 2 117 . GLN . 26977 2 118 . ASN . 26977 2 119 . PRO . 26977 2 120 . GLU . 26977 2 121 . PRO . 26977 2 122 . ALA . 26977 2 123 . VAL . 26977 2 124 . TYR . 26977 2 125 . GLN . 26977 2 126 . LEU . 26977 2 127 . LYS . 26977 2 128 . ASP . 26977 2 129 . PRO . 26977 2 130 . ARG . 26977 2 131 . SER . 26977 2 132 . GLN . 26977 2 133 . ASP . 26977 2 134 . SER . 26977 2 135 . THR . 26977 2 136 . LEU . 26977 2 137 . CYS . 26977 2 138 . LEU . 26977 2 139 . PHE . 26977 2 140 . THR . 26977 2 141 . ASP . 26977 2 142 . PHE . 26977 2 143 . ASP . 26977 2 144 . SER . 26977 2 145 . GLN . 26977 2 146 . ILE . 26977 2 147 . ASN . 26977 2 148 . VAL . 26977 2 149 . PRO . 26977 2 150 . LYS . 26977 2 151 . THR . 26977 2 152 . MET . 26977 2 153 . GLU . 26977 2 154 . PRO . 26977 2 155 . GLY . 26977 2 156 . THR . 26977 2 157 . PHE . 26977 2 158 . ILE . 26977 2 159 . THR . 26977 2 160 . ASP . 26977 2 161 . LYS . 26977 2 162 . CYS . 26977 2 163 . VAL . 26977 2 164 . LEU . 26977 2 165 . ASP . 26977 2 166 . MET . 26977 2 167 . LYS . 26977 2 168 . ALA . 26977 2 169 . MET . 26977 2 170 . ASP . 26977 2 171 . SER . 26977 2 172 . LYS . 26977 2 173 . SER . 26977 2 174 . ASN . 26977 2 175 . GLY . 26977 2 176 . ALA . 26977 2 177 . ILE . 26977 2 178 . ALA . 26977 2 179 . TRP . 26977 2 180 . SER . 26977 2 181 . ASN . 26977 2 182 . GLN . 26977 2 183 . THR . 26977 2 184 . SER . 26977 2 185 . PHE . 26977 2 186 . THR . 26977 2 187 . CYS . 26977 2 188 . GLN . 26977 2 189 . ASP . 26977 2 190 . ILE . 26977 2 191 . PHE . 26977 2 192 . LYS . 26977 2 193 . GLU . 26977 2 194 . THR . 26977 2 195 . ASN . 26977 2 196 . ALA . 26977 2 197 . THR . 26977 2 198 . TYR . 26977 2 199 . PRO . 26977 2 200 . SER . 26977 2 201 . SER . 26977 2 202 . ASP . 26977 2 203 . VAL . 26977 2 204 . PRO . 26977 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 26977 2 . GLN 2 2 26977 2 . GLN 3 3 26977 2 . VAL 4 4 26977 2 . ARG 5 5 26977 2 . GLN 6 6 26977 2 . SER 7 7 26977 2 . PRO 8 8 26977 2 . GLN 9 9 26977 2 . SER 10 10 26977 2 . LEU 11 11 26977 2 . THR 12 12 26977 2 . VAL 13 13 26977 2 . TRP 14 14 26977 2 . GLU 15 15 26977 2 . GLY 16 16 26977 2 . GLU 17 17 26977 2 . THR 18 18 26977 2 . ALA 19 19 26977 2 . ILE 20 20 26977 2 . LEU 21 21 26977 2 . ASN 22 22 26977 2 . CYS 23 23 26977 2 . SER 24 24 26977 2 . TYR 25 25 26977 2 . GLU 26 26 26977 2 . ASN 27 27 26977 2 . SER 28 28 26977 2 . ALA 29 29 26977 2 . PHE 30 30 26977 2 . ASP 31 31 26977 2 . TYR 32 32 26977 2 . PHE 33 33 26977 2 . PRO 34 34 26977 2 . TRP 35 35 26977 2 . TYR 36 36 26977 2 . GLN 37 37 26977 2 . GLN 38 38 26977 2 . PHE 39 39 26977 2 . PRO 40 40 26977 2 . GLY 41 41 26977 2 . GLU 42 42 26977 2 . GLY 43 43 26977 2 . PRO 44 44 26977 2 . ALA 45 45 26977 2 . LEU 46 46 26977 2 . LEU 47 47 26977 2 . ILE 48 48 26977 2 . SER 49 49 26977 2 . ILE 50 50 26977 2 . LEU 51 51 26977 2 . SER 52 52 26977 2 . VAL 53 53 26977 2 . SER 54 54 26977 2 . ASN 55 55 26977 2 . LYS 56 56 26977 2 . LYS 57 57 26977 2 . GLU 58 58 26977 2 . ASP 59 59 26977 2 . GLY 60 60 26977 2 . ARG 61 61 26977 2 . PHE 62 62 26977 2 . THR 63 63 26977 2 . ILE 64 64 26977 2 . PHE 65 65 26977 2 . PHE 66 66 26977 2 . ASN 67 67 26977 2 . LYS 68 68 26977 2 . ARG 69 69 26977 2 . GLU 70 70 26977 2 . LYS 71 71 26977 2 . LYS 72 72 26977 2 . LEU 73 73 26977 2 . SER 74 74 26977 2 . LEU 75 75 26977 2 . HIS 76 76 26977 2 . ILE 77 77 26977 2 . ALA 78 78 26977 2 . ASP 79 79 26977 2 . SER 80 80 26977 2 . GLN 81 81 26977 2 . PRO 82 82 26977 2 . GLY 83 83 26977 2 . ASP 84 84 26977 2 . SER 85 85 26977 2 . ALA 86 86 26977 2 . THR 87 87 26977 2 . TYR 88 88 26977 2 . PHE 89 89 26977 2 . CYS 90 90 26977 2 . ALA 91 91 26977 2 . ALA 92 92 26977 2 . SER 93 93 26977 2 . ALA 94 94 26977 2 . SER 95 95 26977 2 . PHE 96 96 26977 2 . GLY 97 97 26977 2 . ASP 98 98 26977 2 . ASN 99 99 26977 2 . SER 100 100 26977 2 . LYS 101 101 26977 2 . LEU 102 102 26977 2 . ILE 103 103 26977 2 . TRP 104 104 26977 2 . GLY 105 105 26977 2 . LEU 106 106 26977 2 . GLY 107 107 26977 2 . THR 108 108 26977 2 . SER 109 109 26977 2 . LEU 110 110 26977 2 . VAL 111 111 26977 2 . VAL 112 112 26977 2 . ASN 113 113 26977 2 . PRO 114 114 26977 2 . ASN 115 115 26977 2 . ILE 116 116 26977 2 . GLN 117 117 26977 2 . ASN 118 118 26977 2 . PRO 119 119 26977 2 . GLU 120 120 26977 2 . PRO 121 121 26977 2 . ALA 122 122 26977 2 . VAL 123 123 26977 2 . TYR 124 124 26977 2 . GLN 125 125 26977 2 . LEU 126 126 26977 2 . LYS 127 127 26977 2 . ASP 128 128 26977 2 . PRO 129 129 26977 2 . ARG 130 130 26977 2 . SER 131 131 26977 2 . GLN 132 132 26977 2 . ASP 133 133 26977 2 . SER 134 134 26977 2 . THR 135 135 26977 2 . LEU 136 136 26977 2 . CYS 137 137 26977 2 . LEU 138 138 26977 2 . PHE 139 139 26977 2 . THR 140 140 26977 2 . ASP 141 141 26977 2 . PHE 142 142 26977 2 . ASP 143 143 26977 2 . SER 144 144 26977 2 . GLN 145 145 26977 2 . ILE 146 146 26977 2 . ASN 147 147 26977 2 . VAL 148 148 26977 2 . PRO 149 149 26977 2 . LYS 150 150 26977 2 . THR 151 151 26977 2 . MET 152 152 26977 2 . GLU 153 153 26977 2 . PRO 154 154 26977 2 . GLY 155 155 26977 2 . THR 156 156 26977 2 . PHE 157 157 26977 2 . ILE 158 158 26977 2 . THR 159 159 26977 2 . ASP 160 160 26977 2 . LYS 161 161 26977 2 . CYS 162 162 26977 2 . VAL 163 163 26977 2 . LEU 164 164 26977 2 . ASP 165 165 26977 2 . MET 166 166 26977 2 . LYS 167 167 26977 2 . ALA 168 168 26977 2 . MET 169 169 26977 2 . ASP 170 170 26977 2 . SER 171 171 26977 2 . LYS 172 172 26977 2 . SER 173 173 26977 2 . ASN 174 174 26977 2 . GLY 175 175 26977 2 . ALA 176 176 26977 2 . ILE 177 177 26977 2 . ALA 178 178 26977 2 . TRP 179 179 26977 2 . SER 180 180 26977 2 . ASN 181 181 26977 2 . GLN 182 182 26977 2 . THR 183 183 26977 2 . SER 184 184 26977 2 . PHE 185 185 26977 2 . THR 186 186 26977 2 . CYS 187 187 26977 2 . GLN 188 188 26977 2 . ASP 189 189 26977 2 . ILE 190 190 26977 2 . PHE 191 191 26977 2 . LYS 192 192 26977 2 . GLU 193 193 26977 2 . THR 194 194 26977 2 . ASN 195 195 26977 2 . ALA 196 196 26977 2 . THR 197 197 26977 2 . TYR 198 198 26977 2 . PRO 199 199 26977 2 . SER 200 200 26977 2 . SER 201 201 26977 2 . ASP 202 202 26977 2 . VAL 203 203 26977 2 . PRO 204 204 26977 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26977 _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 $B4.2.3_T-cell_receptor_Beta-chain . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 26977 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26977 _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 $B4.2.3_T-cell_receptor_Beta-chain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET21a . . . 26977 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26977 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; U-[13C, 15N, 2H] beta-chain labeled; unlabeled alpha-chain B4.2.3 T-cell receptor 50 mM NaCl, 25 mM HEPES 0.01% NaN3 1U Roche Protease Inhibitor pH 7.3 ; _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Beta-chain '[U-13C; U-15N; U-2H]' . . 1 $B4.2.3_T-cell_receptor_Beta-chain . . 0.25 . . mM . . . . 26977 1 2 Alpha-chain 'natural abundance' . . 2 $B4.2.3_T-cell_receptor_Alpha-chain . . 0.25 . . mM . . . . 26977 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26977 1 4 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 26977 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 26977 1 6 'Roche protease inhibitor' 'natural abundance' . . . . . . 1U . . na . . . . 26977 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26977 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; U-[15N, 2H] AILV-methyl {Ala 13Cbeta ; Ile 13Cdelta1 ; Leu 13Cdelta1/13Cdelta2 ; Val 13Cgamma1/13Cgamma2} beta-chain labeled; unlabeled alpha-chain B4.2.3 T-cell receptor 50 mM NaCl, 25 mM HEPES 0.01% NaN3 1U Roche Protease Inhibitor pH 7.3 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Beta-chain '[U-15N; U-2H; U-13C-all methyl carbons]' . . 1 $B4.2.3_T-cell_receptor_Beta-chain . . 0.25 . . mM . . . . 26977 2 2 Alpha-chain 'natural abundance' . . 2 $B4.2.3_T-cell_receptor_Alpha-chain . . 0.25 . . mM . . . . 26977 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26977 2 4 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 26977 2 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 26977 2 6 'Roche protease inhibitor' 'natural abundance' . . . . . . 1U . . na . . . . 26977 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 26977 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; U-[13C, 15N, 2H] ILV* {Ile 13C 1 ; Leu 13C 1/13C 2 ; Val 13C 1/13C 2} beta-chain labeled; unlabeled alpha-chain B4.2.3 T-cell receptor 50 mM NaCl, 25 mM HEPES 0.01% NaN3 1U Roche Protease Inhibitor pH 7.3 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Beta-chain '[U-15N; U-2H; U-13C; -ILV]' . . 1 $B4.2.3_T-cell_receptor_Beta-chain . . 0.25 . . mM . . . . 26977 3 2 Alpha-chain 'natural abundance' . . 2 $B4.2.3_T-cell_receptor_Alpha-chain . . 0.25 . . mM . . . . 26977 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26977 3 4 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 26977 3 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 26977 3 6 'Roche protease inhibitor' 'natural abundance' . . . . . . 1U . . na . . . . 26977 3 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 26977 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 26977 1 pH 7.3 . pH 26977 1 pressure 1 . atm 26977 1 temperature 298 . K 26977 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26977 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26977 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26977 1 'peak picking' 26977 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26977 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26977 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26977 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker800 _NMR_spectrometer.Entry_ID 26977 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_Varian600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian600 _NMR_spectrometer.Entry_ID 26977 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Bruker900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker900 _NMR_spectrometer.Entry_ID 26977 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_Bruker600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker600 _NMR_spectrometer.Entry_ID 26977 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26977 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Bruker800 Bruker Ascend . 800 . . . 26977 1 2 Varian600 Varian INOVA . 600 . . . 26977 1 3 Bruker900 Bruker Avance . 900 . . . 26977 1 4 Bruker600 Bruker Avance . 600 . . . 26977 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26977 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $Bruker600 . . . . . . . . . . . . . . . . 26977 1 2 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $Bruker600 . . . . . . . . . . . . . . . . 26977 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $Bruker600 . . . . . . . . . . . . . . . . 26977 1 4 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $Bruker900 . . . . . . . . . . . . . . . . 26977 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $Bruker900 . . . . . . . . . . . . . . . . 26977 1 6 '2D 1H-13C SOFAST HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker800 . . . . . . . . . . . . . . . . 26977 1 7 '2D 1H-15N SOFAST HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker800 . . . . . . . . . . . . . . . . 26977 1 8 '3D Hm-CmHm SOFAST NOESY HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker800 . . . . . . . . . . . . . . . . 26977 1 9 '3D Cm-CmHm SOFAST HMQC NOESY HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker800 . . . . . . . . . . . . . . . . 26977 1 10 '3D Hn-CmHm SOFAST NOESY HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker800 . . . . . . . . . . . . . . . . 26977 1 11 '3D Cm-NHn SOFAST HMQC NOESY HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker800 . . . . . . . . . . . . . . . . 26977 1 12 '3D HMCM[CG]CBCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker800 . . . . . . . . . . . . . . . . 26977 1 13 '4D-[1H, 13C, 13C, 1H]-HMQC NOESY HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $Varian600 . . . . . . . . . . . . . . . . 26977 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26977 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26977 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26977 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26977 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26977 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 26977 1 2 '3D HN(CA)CB' . . . 26977 1 3 '3D HNCO' . . . 26977 1 12 '3D HMCM[CG]CBCA' . . . 26977 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS C C 13 175.049 0.05 . 1 . . . . 2 K C . 26977 1 2 . 1 1 2 2 LYS CA C 13 56.078 0.05 . 1 . . . . 2 K CA . 26977 1 3 . 1 1 2 2 LYS CB C 13 33.885 0.05 . 1 . . . . 2 K CB . 26977 1 4 . 1 1 3 3 VAL H H 1 8.379 0.01 . 1 . . . . 3 V HN . 26977 1 5 . 1 1 3 3 VAL HG11 H 1 0.755 0.01 . 2 . . . . 3 V HG1 . 26977 1 6 . 1 1 3 3 VAL HG12 H 1 0.755 0.01 . 2 . . . . 3 V HG1 . 26977 1 7 . 1 1 3 3 VAL HG13 H 1 0.755 0.01 . 2 . . . . 3 V HG1 . 26977 1 8 . 1 1 3 3 VAL HG21 H 1 0.824 0.01 . 2 . . . . 3 V HG2 . 26977 1 9 . 1 1 3 3 VAL HG22 H 1 0.824 0.01 . 2 . . . . 3 V HG2 . 26977 1 10 . 1 1 3 3 VAL HG23 H 1 0.824 0.01 . 2 . . . . 3 V HG2 . 26977 1 11 . 1 1 3 3 VAL C C 13 176.169 0.05 . 1 . . . . 3 V C . 26977 1 12 . 1 1 3 3 VAL CA C 13 61.562 0.05 . 1 . . . . 3 V CA . 26977 1 13 . 1 1 3 3 VAL CB C 13 32.030 0.05 . 1 . . . . 3 V CB . 26977 1 14 . 1 1 3 3 VAL CG1 C 13 21.855 0.05 . 1 . . . . 3 V CG1 . 26977 1 15 . 1 1 3 3 VAL CG2 C 13 21.576 0.05 . 1 . . . . 3 V CG2 . 26977 1 16 . 1 1 3 3 VAL N N 15 124.905 0.03 . 1 . . . . 3 V N . 26977 1 17 . 1 1 4 4 THR H H 1 9.457 0.01 . 1 . . . . 4 T HN . 26977 1 18 . 1 1 4 4 THR CA C 13 61.592 0.05 . 1 . . . . 4 T CA . 26977 1 19 . 1 1 4 4 THR CB C 13 69.613 0.05 . 1 . . . . 4 T CB . 26977 1 20 . 1 1 4 4 THR N N 15 124.330 0.03 . 1 . . . . 4 T N . 26977 1 21 . 1 1 5 5 GLN C C 13 174.266 0.05 . 1 . . . . 5 Q C . 26977 1 22 . 1 1 5 5 GLN CA C 13 54.394 0.05 . 1 . . . . 5 Q CA . 26977 1 23 . 1 1 5 5 GLN CB C 13 32.270 0.05 . 1 . . . . 5 Q CB . 26977 1 24 . 1 1 6 6 MET H H 1 8.601 0.01 . 1 . . . . 6 M HN . 26977 1 25 . 1 1 6 6 MET CA C 13 52.348 0.05 . 1 . . . . 6 M CA . 26977 1 26 . 1 1 6 6 MET CB C 13 34.846 0.05 . 1 . . . . 6 M CB . 26977 1 27 . 1 1 6 6 MET N N 15 122.097 0.03 . 1 . . . . 6 M N . 26977 1 28 . 1 1 8 8 ARG C C 13 175.688 0.05 . 1 . . . . 8 R C . 26977 1 29 . 1 1 8 8 ARG CA C 13 57.564 0.05 . 1 . . . . 8 R CA . 26977 1 30 . 1 1 8 8 ARG CB C 13 29.209 0.05 . 1 . . . . 8 R CB . 26977 1 31 . 1 1 9 9 TYR H H 1 7.538 0.01 . 1 . . . . 9 Y HN . 26977 1 32 . 1 1 9 9 TYR C C 13 174.636 0.05 . 1 . . . . 9 Y C . 26977 1 33 . 1 1 9 9 TYR CA C 13 56.167 0.05 . 1 . . . . 9 Y CA . 26977 1 34 . 1 1 9 9 TYR CB C 13 42.135 0.05 . 1 . . . . 9 Y CB . 26977 1 35 . 1 1 9 9 TYR N N 15 116.766 0.03 . 1 . . . . 9 Y N . 26977 1 36 . 1 1 10 10 LEU H H 1 8.785 0.01 . 1 . . . . 10 L HN . 26977 1 37 . 1 1 10 10 LEU HD11 H 1 1.032 0.01 . 2 . . . . 10 L HD1 . 26977 1 38 . 1 1 10 10 LEU HD12 H 1 1.032 0.01 . 2 . . . . 10 L HD1 . 26977 1 39 . 1 1 10 10 LEU HD13 H 1 1.032 0.01 . 2 . . . . 10 L HD1 . 26977 1 40 . 1 1 10 10 LEU HD21 H 1 0.798 0.01 . 2 . . . . 10 L HD2 . 26977 1 41 . 1 1 10 10 LEU HD22 H 1 0.798 0.01 . 2 . . . . 10 L HD2 . 26977 1 42 . 1 1 10 10 LEU HD23 H 1 0.798 0.01 . 2 . . . . 10 L HD2 . 26977 1 43 . 1 1 10 10 LEU C C 13 173.583 0.05 . 1 . . . . 10 L C . 26977 1 44 . 1 1 10 10 LEU CA C 13 54.800 0.05 . 1 . . . . 10 L CA . 26977 1 45 . 1 1 10 10 LEU CB C 13 45.666 0.05 . 1 . . . . 10 L CB . 26977 1 46 . 1 1 10 10 LEU CG C 13 25.976 0.05 . 1 . . . . 10 L CG . 26977 1 47 . 1 1 10 10 LEU CD1 C 13 23.422 0.05 . 1 . . . . 10 L CD1 . 26977 1 48 . 1 1 10 10 LEU CD2 C 13 26.486 0.05 . 1 . . . . 10 L CD2 . 26977 1 49 . 1 1 10 10 LEU N N 15 122.950 0.03 . 1 . . . . 10 L N . 26977 1 50 . 1 1 11 11 ILE H H 1 8.531 0.01 . 1 . . . . 11 I HN . 26977 1 51 . 1 1 11 11 ILE HD11 H 1 0.649 0.01 . 1 . . . . 11 I HD1 . 26977 1 52 . 1 1 11 11 ILE HD12 H 1 0.649 0.01 . 1 . . . . 11 I HD1 . 26977 1 53 . 1 1 11 11 ILE HD13 H 1 0.649 0.01 . 1 . . . . 11 I HD1 . 26977 1 54 . 1 1 11 11 ILE C C 13 175.148 0.05 . 1 . . . . 11 I C . 26977 1 55 . 1 1 11 11 ILE CA C 13 59.394 0.05 . 1 . . . . 11 I CA . 26977 1 56 . 1 1 11 11 ILE CB C 13 39.739 0.05 . 1 . . . . 11 I CB . 26977 1 57 . 1 1 11 11 ILE CG1 C 13 27.640 0.05 . 1 . . . . 11 I CG1 . 26977 1 58 . 1 1 11 11 ILE CD1 C 13 15.071 0.05 . 1 . . . . 11 I CD1 . 26977 1 59 . 1 1 11 11 ILE N N 15 127.508 0.03 . 1 . . . . 11 I N . 26977 1 60 . 1 1 12 12 LYS H H 1 8.271 0.01 . 1 . . . . 12 K HN . 26977 1 61 . 1 1 12 12 LYS C C 13 174.228 0.05 . 1 . . . . 12 K C . 26977 1 62 . 1 1 12 12 LYS CA C 13 51.760 0.05 . 1 . . . . 12 K CA . 26977 1 63 . 1 1 12 12 LYS CB C 13 36.042 0.05 . 1 . . . . 12 K CB . 26977 1 64 . 1 1 12 12 LYS N N 15 124.525 0.03 . 1 . . . . 12 K N . 26977 1 65 . 1 1 13 13 ARG H H 1 9.022 0.01 . 1 . . . . 13 R HN . 26977 1 66 . 1 1 13 13 ARG C C 13 175.491 0.05 . 1 . . . . 13 R C . 26977 1 67 . 1 1 13 13 ARG CA C 13 54.608 0.05 . 1 . . . . 13 R CA . 26977 1 68 . 1 1 13 13 ARG CB C 13 30.412 0.05 . 1 . . . . 13 R CB . 26977 1 69 . 1 1 13 13 ARG N N 15 123.233 0.03 . 1 . . . . 13 R N . 26977 1 70 . 1 1 14 14 MET H H 1 8.102 0.01 . 1 . . . . 14 M HN . 26977 1 71 . 1 1 14 14 MET C C 13 176.029 0.05 . 1 . . . . 14 M C . 26977 1 72 . 1 1 14 14 MET CA C 13 56.679 0.05 . 1 . . . . 14 M CA . 26977 1 73 . 1 1 14 14 MET CB C 13 32.276 0.05 . 1 . . . . 14 M CB . 26977 1 74 . 1 1 14 14 MET N N 15 122.701 0.03 . 1 . . . . 14 M N . 26977 1 75 . 1 1 15 15 GLY H H 1 9.872 0.01 . 1 . . . . 15 G HN . 26977 1 76 . 1 1 15 15 GLY C C 13 174.819 0.05 . 1 . . . . 15 G C . 26977 1 77 . 1 1 15 15 GLY CA C 13 44.125 0.05 . 1 . . . . 15 G CA . 26977 1 78 . 1 1 15 15 GLY N N 15 114.606 0.03 . 1 . . . . 15 G N . 26977 1 79 . 1 1 16 16 GLU H H 1 7.778 0.01 . 1 . . . . 16 E HN . 26977 1 80 . 1 1 16 16 GLU C C 13 175.189 0.05 . 1 . . . . 16 E C . 26977 1 81 . 1 1 16 16 GLU CA C 13 55.891 0.05 . 1 . . . . 16 E CA . 26977 1 82 . 1 1 16 16 GLU CB C 13 30.524 0.05 . 1 . . . . 16 E CB . 26977 1 83 . 1 1 16 16 GLU N N 15 120.330 0.03 . 1 . . . . 16 E N . 26977 1 84 . 1 1 17 17 ASN H H 1 8.262 0.01 . 1 . . . . 17 N HN . 26977 1 85 . 1 1 17 17 ASN C C 13 175.001 0.05 . 1 . . . . 17 N C . 26977 1 86 . 1 1 17 17 ASN CA C 13 52.355 0.05 . 1 . . . . 17 N CA . 26977 1 87 . 1 1 17 17 ASN CB C 13 39.140 0.05 . 1 . . . . 17 N CB . 26977 1 88 . 1 1 17 17 ASN N N 15 118.133 0.03 . 1 . . . . 17 N N . 26977 1 89 . 1 1 18 18 VAL H H 1 8.794 0.01 . 1 . . . . 18 V HN . 26977 1 90 . 1 1 18 18 VAL HG11 H 1 0.701 0.01 . 2 . . . . 18 V HG1 . 26977 1 91 . 1 1 18 18 VAL HG12 H 1 0.701 0.01 . 2 . . . . 18 V HG1 . 26977 1 92 . 1 1 18 18 VAL HG13 H 1 0.701 0.01 . 2 . . . . 18 V HG1 . 26977 1 93 . 1 1 18 18 VAL HG21 H 1 0.723 0.01 . 2 . . . . 18 V HG2 . 26977 1 94 . 1 1 18 18 VAL HG22 H 1 0.723 0.01 . 2 . . . . 18 V HG2 . 26977 1 95 . 1 1 18 18 VAL HG23 H 1 0.723 0.01 . 2 . . . . 18 V HG2 . 26977 1 96 . 1 1 18 18 VAL C C 13 173.241 0.05 . 1 . . . . 18 V C . 26977 1 97 . 1 1 18 18 VAL CA C 13 60.698 0.05 . 1 . . . . 18 V CA . 26977 1 98 . 1 1 18 18 VAL CB C 13 34.263 0.05 . 1 . . . . 18 V CB . 26977 1 99 . 1 1 18 18 VAL CG1 C 13 22.240 0.05 . 1 . . . . 18 V CG1 . 26977 1 100 . 1 1 18 18 VAL CG2 C 13 21.845 0.05 . 1 . . . . 18 V CG2 . 26977 1 101 . 1 1 18 18 VAL N N 15 122.052 0.03 . 1 . . . . 18 V N . 26977 1 102 . 1 1 19 19 LEU H H 1 8.317 0.01 . 1 . . . . 19 L HN . 26977 1 103 . 1 1 19 19 LEU HD11 H 1 0.801 0.01 . 2 . . . . 19 L HD1 . 26977 1 104 . 1 1 19 19 LEU HD12 H 1 0.801 0.01 . 2 . . . . 19 L HD1 . 26977 1 105 . 1 1 19 19 LEU HD13 H 1 0.801 0.01 . 2 . . . . 19 L HD1 . 26977 1 106 . 1 1 19 19 LEU HD21 H 1 0.784 0.01 . 2 . . . . 19 L HD2 . 26977 1 107 . 1 1 19 19 LEU HD22 H 1 0.784 0.01 . 2 . . . . 19 L HD2 . 26977 1 108 . 1 1 19 19 LEU HD23 H 1 0.784 0.01 . 2 . . . . 19 L HD2 . 26977 1 109 . 1 1 19 19 LEU C C 13 174.361 0.05 . 1 . . . . 19 L C . 26977 1 110 . 1 1 19 19 LEU CA C 13 53.778 0.05 . 1 . . . . 19 L CA . 26977 1 111 . 1 1 19 19 LEU CB C 13 43.629 0.05 . 1 . . . . 19 L CB . 26977 1 112 . 1 1 19 19 LEU CG C 13 26.977 0.05 . 1 . . . . 19 L CG . 26977 1 113 . 1 1 19 19 LEU CD1 C 13 24.211 0.05 . 1 . . . . 19 L CD1 . 26977 1 114 . 1 1 19 19 LEU CD2 C 13 25.507 0.05 . 1 . . . . 19 L CD2 . 26977 1 115 . 1 1 19 19 LEU N N 15 130.827 0.03 . 1 . . . . 19 L N . 26977 1 116 . 1 1 20 20 LEU H H 1 9.035 0.01 . 1 . . . . 20 L HN . 26977 1 117 . 1 1 20 20 LEU HD11 H 1 0.513 0.01 . 2 . . . . 20 L HD1 . 26977 1 118 . 1 1 20 20 LEU HD12 H 1 0.513 0.01 . 2 . . . . 20 L HD1 . 26977 1 119 . 1 1 20 20 LEU HD13 H 1 0.513 0.01 . 2 . . . . 20 L HD1 . 26977 1 120 . 1 1 20 20 LEU HD21 H 1 0.083 0.01 . 2 . . . . 20 L HD2 . 26977 1 121 . 1 1 20 20 LEU HD22 H 1 0.083 0.01 . 2 . . . . 20 L HD2 . 26977 1 122 . 1 1 20 20 LEU HD23 H 1 0.083 0.01 . 2 . . . . 20 L HD2 . 26977 1 123 . 1 1 20 20 LEU C C 13 175.717 0.05 . 1 . . . . 20 L C . 26977 1 124 . 1 1 20 20 LEU CA C 13 53.545 0.05 . 1 . . . . 20 L CA . 26977 1 125 . 1 1 20 20 LEU CB C 13 41.776 0.05 . 1 . . . . 20 L CB . 26977 1 126 . 1 1 20 20 LEU CG C 13 26.653 0.05 . 1 . . . . 20 L CG . 26977 1 127 . 1 1 20 20 LEU CD1 C 13 24.838 0.05 . 1 . . . . 20 L CD1 . 26977 1 128 . 1 1 20 20 LEU CD2 C 13 25.071 0.05 . 1 . . . . 20 L CD2 . 26977 1 129 . 1 1 20 20 LEU N N 15 126.427 0.03 . 1 . . . . 20 L N . 26977 1 130 . 1 1 21 21 GLU H H 1 8.476 0.01 . 1 . . . . 21 E HN . 26977 1 131 . 1 1 21 21 GLU C C 13 175.774 0.05 . 1 . . . . 21 E C . 26977 1 132 . 1 1 21 21 GLU CA C 13 55.160 0.05 . 1 . . . . 21 E CA . 26977 1 133 . 1 1 21 21 GLU CB C 13 33.278 0.05 . 1 . . . . 21 E CB . 26977 1 134 . 1 1 21 21 GLU N N 15 118.981 0.03 . 1 . . . . 21 E N . 26977 1 135 . 1 1 22 22 CYS H H 1 8.427 0.01 . 1 . . . . 22 C HN . 26977 1 136 . 1 1 22 22 CYS C C 13 172.103 0.05 . 1 . . . . 22 C C . 26977 1 137 . 1 1 22 22 CYS CA C 13 53.227 0.05 . 1 . . . . 22 C CA . 26977 1 138 . 1 1 22 22 CYS CB C 13 42.219 0.05 . 1 . . . . 22 C CB . 26977 1 139 . 1 1 22 22 CYS N N 15 121.874 0.03 . 1 . . . . 22 C N . 26977 1 140 . 1 1 23 23 GLY H H 1 8.914 0.01 . 1 . . . . 23 G HN . 26977 1 141 . 1 1 23 23 GLY C C 13 171.419 0.05 . 1 . . . . 23 G C . 26977 1 142 . 1 1 23 23 GLY N N 15 114.155 0.03 . 1 . . . . 23 G N . 26977 1 143 . 1 1 24 24 GLN H H 1 8.284 0.01 . 1 . . . . 24 Q HN . 26977 1 144 . 1 1 24 24 GLN C C 13 175.160 0.05 . 1 . . . . 24 Q C . 26977 1 145 . 1 1 24 24 GLN CA C 13 53.824 0.05 . 1 . . . . 24 Q CA . 26977 1 146 . 1 1 24 24 GLN CB C 13 28.275 0.05 . 1 . . . . 24 Q CB . 26977 1 147 . 1 1 24 24 GLN N N 15 113.681 0.03 . 1 . . . . 24 Q N . 26977 1 148 . 1 1 25 25 ASP H H 1 8.188 0.01 . 1 . . . . 25 D HN . 26977 1 149 . 1 1 25 25 ASP CA C 13 52.374 0.05 . 1 . . . . 25 D CA . 26977 1 150 . 1 1 25 25 ASP CB C 13 39.725 0.05 . 1 . . . . 25 D CB . 26977 1 151 . 1 1 25 25 ASP N N 15 121.623 0.03 . 1 . . . . 25 D N . 26977 1 152 . 1 1 26 26 MET C C 13 174.812 0.05 . 1 . . . . 26 M C . 26977 1 153 . 1 1 27 27 SER H H 1 8.653 0.01 . 1 . . . . 27 S HN . 26977 1 154 . 1 1 27 27 SER CA C 13 58.441 0.05 . 1 . . . . 27 S CA . 26977 1 155 . 1 1 27 27 SER CB C 13 60.824 0.05 . 1 . . . . 27 S CB . 26977 1 156 . 1 1 27 27 SER N N 15 113.584 0.03 . 1 . . . . 27 S N . 26977 1 157 . 1 1 29 29 GLU C C 13 176.160 0.05 . 1 . . . . 29 E C . 26977 1 158 . 1 1 30 30 THR H H 1 7.780 0.01 . 1 . . . . 30 T HN . 26977 1 159 . 1 1 30 30 THR C C 13 173.852 0.05 . 1 . . . . 30 T C . 26977 1 160 . 1 1 30 30 THR CA C 13 61.676 0.05 . 1 . . . . 30 T CA . 26977 1 161 . 1 1 30 30 THR CB C 13 68.080 0.05 . 1 . . . . 30 T CB . 26977 1 162 . 1 1 30 30 THR N N 15 118.603 0.03 . 1 . . . . 30 T N . 26977 1 163 . 1 1 31 31 MET H H 1 8.558 0.01 . 1 . . . . 31 M HN . 26977 1 164 . 1 1 31 31 MET C C 13 172.570 0.05 . 1 . . . . 31 M C . 26977 1 165 . 1 1 31 31 MET CA C 13 54.342 0.05 . 1 . . . . 31 M CA . 26977 1 166 . 1 1 31 31 MET CB C 13 38.572 0.05 . 1 . . . . 31 M CB . 26977 1 167 . 1 1 31 31 MET N N 15 121.966 0.03 . 1 . . . . 31 M N . 26977 1 168 . 1 1 32 32 TYR H H 1 8.730 0.01 . 1 . . . . 32 Y HN . 26977 1 169 . 1 1 32 32 TYR C C 13 175.341 0.05 . 1 . . . . 32 Y C . 26977 1 170 . 1 1 32 32 TYR CA C 13 56.112 0.05 . 1 . . . . 32 Y CA . 26977 1 171 . 1 1 32 32 TYR CB C 13 42.663 0.05 . 1 . . . . 32 Y CB . 26977 1 172 . 1 1 32 32 TYR N N 15 115.550 0.03 . 1 . . . . 32 Y N . 26977 1 173 . 1 1 33 33 TRP H H 1 8.087 0.01 . 1 . . . . 33 W HN . 26977 1 174 . 1 1 33 33 TRP C C 13 174.745 0.05 . 1 . . . . 33 W C . 26977 1 175 . 1 1 33 33 TRP CA C 13 57.049 0.05 . 1 . . . . 33 W CA . 26977 1 176 . 1 1 33 33 TRP CB C 13 33.608 0.05 . 1 . . . . 33 W CB . 26977 1 177 . 1 1 33 33 TRP N N 15 117.100 0.03 . 1 . . . . 33 W N . 26977 1 178 . 1 1 34 34 TYR H H 1 9.802 0.01 . 1 . . . . 34 Y HN . 26977 1 179 . 1 1 34 34 TYR C C 13 176.216 0.05 . 1 . . . . 34 Y C . 26977 1 180 . 1 1 34 34 TYR CA C 13 56.629 0.05 . 1 . . . . 34 Y CA . 26977 1 181 . 1 1 34 34 TYR CB C 13 43.300 0.05 . 1 . . . . 34 Y CB . 26977 1 182 . 1 1 34 34 TYR N N 15 121.458 0.03 . 1 . . . . 34 Y N . 26977 1 183 . 1 1 35 35 ARG H H 1 9.036 0.01 . 1 . . . . 35 R HN . 26977 1 184 . 1 1 35 35 ARG C C 13 173.783 0.05 . 1 . . . . 35 R C . 26977 1 185 . 1 1 35 35 ARG CA C 13 54.125 0.05 . 1 . . . . 35 R CA . 26977 1 186 . 1 1 35 35 ARG CB C 13 31.800 0.05 . 1 . . . . 35 R CB . 26977 1 187 . 1 1 35 35 ARG N N 15 117.100 0.03 . 1 . . . . 35 R N . 26977 1 188 . 1 1 36 36 GLN H H 1 8.713 0.01 . 1 . . . . 36 Q HN . 26977 1 189 . 1 1 36 36 GLN C C 13 173.314 0.05 . 1 . . . . 36 Q C . 26977 1 190 . 1 1 36 36 GLN CA C 13 54.169 0.05 . 1 . . . . 36 Q CA . 26977 1 191 . 1 1 36 36 GLN CB C 13 31.008 0.05 . 1 . . . . 36 Q CB . 26977 1 192 . 1 1 36 36 GLN N N 15 125.033 0.03 . 1 . . . . 36 Q N . 26977 1 193 . 1 1 37 37 ASP H H 1 7.650 0.01 . 1 . . . . 37 D HN . 26977 1 194 . 1 1 37 37 ASP CA C 13 51.162 0.05 . 1 . . . . 37 D CA . 26977 1 195 . 1 1 37 37 ASP CB C 13 42.942 0.05 . 1 . . . . 37 D CB . 26977 1 196 . 1 1 37 37 ASP N N 15 124.541 0.03 . 1 . . . . 37 D N . 26977 1 197 . 1 1 38 38 PRO C C 13 178.033 0.05 . 1 . . . . 38 P C . 26977 1 198 . 1 1 39 39 GLY H H 1 8.915 0.01 . 1 . . . . 39 G HN . 26977 1 199 . 1 1 39 39 GLY C C 13 174.126 0.05 . 1 . . . . 39 G C . 26977 1 200 . 1 1 39 39 GLY N N 15 113.777 0.03 . 1 . . . . 39 G N . 26977 1 201 . 1 1 40 40 LEU H H 1 7.692 0.01 . 1 . . . . 40 L HN . 26977 1 202 . 1 1 40 40 LEU HD11 H 1 0.920 0.01 . 2 . . . . 40 L HD1 . 26977 1 203 . 1 1 40 40 LEU HD12 H 1 0.920 0.01 . 2 . . . . 40 L HD1 . 26977 1 204 . 1 1 40 40 LEU HD13 H 1 0.920 0.01 . 2 . . . . 40 L HD1 . 26977 1 205 . 1 1 40 40 LEU HD21 H 1 0.949 0.01 . 2 . . . . 40 L HD2 . 26977 1 206 . 1 1 40 40 LEU HD22 H 1 0.949 0.01 . 2 . . . . 40 L HD2 . 26977 1 207 . 1 1 40 40 LEU HD23 H 1 0.949 0.01 . 2 . . . . 40 L HD2 . 26977 1 208 . 1 1 40 40 LEU C C 13 177.078 0.05 . 1 . . . . 40 L C . 26977 1 209 . 1 1 40 40 LEU CA C 13 54.090 0.05 . 1 . . . . 40 L CA . 26977 1 210 . 1 1 40 40 LEU CB C 13 42.899 0.05 . 1 . . . . 40 L CB . 26977 1 211 . 1 1 40 40 LEU CG C 13 26.034 0.05 . 1 . . . . 40 L CG . 26977 1 212 . 1 1 40 40 LEU CD1 C 13 22.701 0.05 . 1 . . . . 40 L CD1 . 26977 1 213 . 1 1 40 40 LEU CD2 C 13 25.466 0.05 . 1 . . . . 40 L CD2 . 26977 1 214 . 1 1 40 40 LEU N N 15 120.368 0.03 . 1 . . . . 40 L N . 26977 1 215 . 1 1 41 41 GLY H H 1 8.035 0.01 . 1 . . . . 41 G HN . 26977 1 216 . 1 1 41 41 GLY C C 13 173.126 0.05 . 1 . . . . 41 G C . 26977 1 217 . 1 1 41 41 GLY CA C 13 44.901 0.05 . 1 . . . . 41 G CA . 26977 1 218 . 1 1 41 41 GLY N N 15 107.679 0.03 . 1 . . . . 41 G N . 26977 1 219 . 1 1 42 42 LEU H H 1 8.251 0.01 . 1 . . . . 42 L HN . 26977 1 220 . 1 1 42 42 LEU HD11 H 1 -0.613 0.01 . 2 . . . . 42 L HD1 . 26977 1 221 . 1 1 42 42 LEU HD12 H 1 -0.613 0.01 . 2 . . . . 42 L HD1 . 26977 1 222 . 1 1 42 42 LEU HD13 H 1 -0.613 0.01 . 2 . . . . 42 L HD1 . 26977 1 223 . 1 1 42 42 LEU HD21 H 1 -1.387 0.01 . 2 . . . . 42 L HD2 . 26977 1 224 . 1 1 42 42 LEU HD22 H 1 -1.387 0.01 . 2 . . . . 42 L HD2 . 26977 1 225 . 1 1 42 42 LEU HD23 H 1 -1.387 0.01 . 2 . . . . 42 L HD2 . 26977 1 226 . 1 1 42 42 LEU C C 13 176.801 0.05 . 1 . . . . 42 L C . 26977 1 227 . 1 1 42 42 LEU CA C 13 53.873 0.05 . 1 . . . . 42 L CA . 26977 1 228 . 1 1 42 42 LEU CB C 13 40.784 0.05 . 1 . . . . 42 L CB . 26977 1 229 . 1 1 42 42 LEU CG C 13 25.325 0.05 . 1 . . . . 42 L CG . 26977 1 230 . 1 1 42 42 LEU CD1 C 13 22.769 0.05 . 1 . . . . 42 L CD1 . 26977 1 231 . 1 1 42 42 LEU CD2 C 13 23.112 0.05 . 1 . . . . 42 L CD2 . 26977 1 232 . 1 1 42 42 LEU N N 15 122.716 0.03 . 1 . . . . 42 L N . 26977 1 233 . 1 1 43 43 GLN H H 1 9.122 0.01 . 1 . . . . 43 Q HN . 26977 1 234 . 1 1 43 43 GLN C C 13 174.731 0.05 . 1 . . . . 43 Q C . 26977 1 235 . 1 1 43 43 GLN CA C 13 54.294 0.05 . 1 . . . . 43 Q CA . 26977 1 236 . 1 1 43 43 GLN CB C 13 32.364 0.05 . 1 . . . . 43 Q CB . 26977 1 237 . 1 1 43 43 GLN N N 15 123.356 0.03 . 1 . . . . 43 Q N . 26977 1 238 . 1 1 44 44 LEU H H 1 9.341 0.01 . 1 . . . . 44 L HN . 26977 1 239 . 1 1 44 44 LEU HD11 H 1 0.474 0.01 . 2 . . . . 44 L HD1 . 26977 1 240 . 1 1 44 44 LEU HD12 H 1 0.474 0.01 . 2 . . . . 44 L HD1 . 26977 1 241 . 1 1 44 44 LEU HD13 H 1 0.474 0.01 . 2 . . . . 44 L HD1 . 26977 1 242 . 1 1 44 44 LEU HD21 H 1 0.958 0.01 . 2 . . . . 44 L HD2 . 26977 1 243 . 1 1 44 44 LEU HD22 H 1 0.958 0.01 . 2 . . . . 44 L HD2 . 26977 1 244 . 1 1 44 44 LEU HD23 H 1 0.958 0.01 . 2 . . . . 44 L HD2 . 26977 1 245 . 1 1 44 44 LEU C C 13 175.790 0.05 . 1 . . . . 44 L C . 26977 1 246 . 1 1 44 44 LEU CA C 13 55.082 0.05 . 1 . . . . 44 L CA . 26977 1 247 . 1 1 44 44 LEU CB C 13 41.161 0.05 . 1 . . . . 44 L CB . 26977 1 248 . 1 1 44 44 LEU CG C 13 26.525 0.05 . 1 . . . . 44 L CG . 26977 1 249 . 1 1 44 44 LEU CD1 C 13 22.117 0.05 . 1 . . . . 44 L CD1 . 26977 1 250 . 1 1 44 44 LEU CD2 C 13 26.066 0.05 . 1 . . . . 44 L CD2 . 26977 1 251 . 1 1 44 44 LEU N N 15 127.424 0.03 . 1 . . . . 44 L N . 26977 1 252 . 1 1 45 45 ILE H H 1 9.317 0.01 . 1 . . . . 45 I HN . 26977 1 253 . 1 1 45 45 ILE HD11 H 1 0.331 0.01 . 1 . . . . 45 I HD1 . 26977 1 254 . 1 1 45 45 ILE HD12 H 1 0.331 0.01 . 1 . . . . 45 I HD1 . 26977 1 255 . 1 1 45 45 ILE HD13 H 1 0.331 0.01 . 1 . . . . 45 I HD1 . 26977 1 256 . 1 1 45 45 ILE C C 13 175.421 0.05 . 1 . . . . 45 I C . 26977 1 257 . 1 1 45 45 ILE CA C 13 63.693 0.05 . 1 . . . . 45 I CA . 26977 1 258 . 1 1 45 45 ILE CB C 13 38.858 0.05 . 1 . . . . 45 I CB . 26977 1 259 . 1 1 45 45 ILE CG1 C 13 26.885 0.05 . 1 . . . . 45 I CG1 . 26977 1 260 . 1 1 45 45 ILE CD1 C 13 14.101 0.05 . 1 . . . . 45 I CD1 . 26977 1 261 . 1 1 45 45 ILE N N 15 131.481 0.03 . 1 . . . . 45 I N . 26977 1 262 . 1 1 46 46 TYR H H 1 7.298 0.01 . 1 . . . . 46 Y HN . 26977 1 263 . 1 1 46 46 TYR C C 13 173.140 0.05 . 1 . . . . 46 Y C . 26977 1 264 . 1 1 46 46 TYR CA C 13 57.764 0.05 . 1 . . . . 46 Y CA . 26977 1 265 . 1 1 46 46 TYR CB C 13 48.557 0.05 . 1 . . . . 46 Y CB . 26977 1 266 . 1 1 46 46 TYR N N 15 116.533 0.03 . 1 . . . . 46 Y N . 26977 1 267 . 1 1 47 47 ILE H H 1 8.840 0.01 . 1 . . . . 47 I HN . 26977 1 268 . 1 1 47 47 ILE HD11 H 1 0.670 0.01 . 1 . . . . 47 I HD1 . 26977 1 269 . 1 1 47 47 ILE HD12 H 1 0.670 0.01 . 1 . . . . 47 I HD1 . 26977 1 270 . 1 1 47 47 ILE HD13 H 1 0.670 0.01 . 1 . . . . 47 I HD1 . 26977 1 271 . 1 1 47 47 ILE C C 13 172.485 0.05 . 1 . . . . 47 I C . 26977 1 272 . 1 1 47 47 ILE CA C 13 59.003 0.05 . 1 . . . . 47 I CA . 26977 1 273 . 1 1 47 47 ILE CB C 13 42.145 0.05 . 1 . . . . 47 I CB . 26977 1 274 . 1 1 47 47 ILE CG1 C 13 27.405 0.05 . 1 . . . . 47 I CG1 . 26977 1 275 . 1 1 47 47 ILE CD1 C 13 15.485 0.05 . 1 . . . . 47 I CD1 . 26977 1 276 . 1 1 47 47 ILE N N 15 119.630 0.03 . 1 . . . . 47 I N . 26977 1 277 . 1 1 48 48 SER H H 1 8.603 0.01 . 1 . . . . 48 S HN . 26977 1 278 . 1 1 48 48 SER C C 13 174.027 0.05 . 1 . . . . 48 S C . 26977 1 279 . 1 1 48 48 SER CA C 13 55.164 0.05 . 1 . . . . 48 S CA . 26977 1 280 . 1 1 48 48 SER CB C 13 63.653 0.05 . 1 . . . . 48 S CB . 26977 1 281 . 1 1 48 48 SER N N 15 120.069 0.03 . 1 . . . . 48 S N . 26977 1 282 . 1 1 49 49 TYR H H 1 8.602 0.01 . 1 . . . . 49 Y HN . 26977 1 283 . 1 1 49 49 TYR C C 13 174.193 0.05 . 1 . . . . 49 Y C . 26977 1 284 . 1 1 49 49 TYR CA C 13 59.294 0.05 . 1 . . . . 49 Y CA . 26977 1 285 . 1 1 49 49 TYR CB C 13 38.921 0.05 . 1 . . . . 49 Y CB . 26977 1 286 . 1 1 49 49 TYR N N 15 126.603 0.03 . 1 . . . . 49 Y N . 26977 1 287 . 1 1 50 50 ASP H H 1 7.854 0.01 . 1 . . . . 50 D HN . 26977 1 288 . 1 1 50 50 ASP C C 13 175.119 0.05 . 1 . . . . 50 D C . 26977 1 289 . 1 1 50 50 ASP CA C 13 51.489 0.05 . 1 . . . . 50 D CA . 26977 1 290 . 1 1 50 50 ASP CB C 13 40.616 0.05 . 1 . . . . 50 D CB . 26977 1 291 . 1 1 50 50 ASP N N 15 111.210 0.03 . 1 . . . . 50 D N . 26977 1 292 . 1 1 51 51 VAL H H 1 9.426 0.01 . 1 . . . . 51 V HN . 26977 1 293 . 1 1 51 51 VAL HG11 H 1 0.887 0.01 . 2 . . . . 51 V HG1 . 26977 1 294 . 1 1 51 51 VAL HG12 H 1 0.887 0.01 . 2 . . . . 51 V HG1 . 26977 1 295 . 1 1 51 51 VAL HG13 H 1 0.887 0.01 . 2 . . . . 51 V HG1 . 26977 1 296 . 1 1 51 51 VAL HG21 H 1 0.748 0.01 . 2 . . . . 51 V HG2 . 26977 1 297 . 1 1 51 51 VAL HG22 H 1 0.748 0.01 . 2 . . . . 51 V HG2 . 26977 1 298 . 1 1 51 51 VAL HG23 H 1 0.748 0.01 . 2 . . . . 51 V HG2 . 26977 1 299 . 1 1 51 51 VAL C C 13 177.079 0.05 . 1 . . . . 51 V C . 26977 1 300 . 1 1 51 51 VAL CA C 13 63.661 0.05 . 1 . . . . 51 V CA . 26977 1 301 . 1 1 51 51 VAL CB C 13 31.078 0.05 . 1 . . . . 51 V CB . 26977 1 302 . 1 1 51 51 VAL CG1 C 13 20.375 0.05 . 1 . . . . 51 V CG1 . 26977 1 303 . 1 1 51 51 VAL CG2 C 13 21.848 0.05 . 1 . . . . 51 V CG2 . 26977 1 304 . 1 1 51 51 VAL N N 15 120.416 0.03 . 1 . . . . 51 V N . 26977 1 305 . 1 1 52 52 ASP H H 1 8.963 0.01 . 1 . . . . 52 D HN . 26977 1 306 . 1 1 52 52 ASP C C 13 174.212 0.05 . 1 . . . . 52 D C . 26977 1 307 . 1 1 52 52 ASP CA C 13 55.942 0.05 . 1 . . . . 52 D CA . 26977 1 308 . 1 1 52 52 ASP CB C 13 39.589 0.05 . 1 . . . . 52 D CB . 26977 1 309 . 1 1 52 52 ASP N N 15 121.897 0.03 . 1 . . . . 52 D N . 26977 1 310 . 1 1 53 53 SER H H 1 7.611 0.01 . 1 . . . . 53 S HN . 26977 1 311 . 1 1 53 53 SER C C 13 172.108 0.05 . 1 . . . . 53 S C . 26977 1 312 . 1 1 53 53 SER CA C 13 55.741 0.05 . 1 . . . . 53 S CA . 26977 1 313 . 1 1 53 53 SER CB C 13 61.844 0.05 . 1 . . . . 53 S CB . 26977 1 314 . 1 1 53 53 SER N N 15 114.970 0.03 . 1 . . . . 53 S N . 26977 1 315 . 1 1 54 54 ASN H H 1 8.681 0.01 . 1 . . . . 54 N HN . 26977 1 316 . 1 1 54 54 ASN C C 13 175.013 0.05 . 1 . . . . 54 N C . 26977 1 317 . 1 1 54 54 ASN CA C 13 51.523 0.05 . 1 . . . . 54 N CA . 26977 1 318 . 1 1 54 54 ASN CB C 13 40.742 0.05 . 1 . . . . 54 N CB . 26977 1 319 . 1 1 54 54 ASN N N 15 121.929 0.03 . 1 . . . . 54 N N . 26977 1 320 . 1 1 55 55 SER H H 1 9.553 0.01 . 1 . . . . 55 S HN . 26977 1 321 . 1 1 55 55 SER C C 13 172.291 0.05 . 1 . . . . 55 S C . 26977 1 322 . 1 1 55 55 SER CA C 13 57.227 0.05 . 1 . . . . 55 S CA . 26977 1 323 . 1 1 55 55 SER CB C 13 65.137 0.05 . 1 . . . . 55 S CB . 26977 1 324 . 1 1 55 55 SER N N 15 117.959 0.03 . 1 . . . . 55 S N . 26977 1 325 . 1 1 56 56 GLU H H 1 8.878 0.01 . 1 . . . . 56 E HN . 26977 1 326 . 1 1 56 56 GLU C C 13 176.749 0.05 . 1 . . . . 56 E C . 26977 1 327 . 1 1 56 56 GLU CA C 13 57.794 0.05 . 1 . . . . 56 E CA . 26977 1 328 . 1 1 56 56 GLU CB C 13 29.805 0.05 . 1 . . . . 56 E CB . 26977 1 329 . 1 1 56 56 GLU N N 15 125.864 0.03 . 1 . . . . 56 E N . 26977 1 330 . 1 1 57 57 GLY H H 1 7.187 0.01 . 1 . . . . 57 G HN . 26977 1 331 . 1 1 57 57 GLY C C 13 172.371 0.05 . 1 . . . . 57 G C . 26977 1 332 . 1 1 57 57 GLY CA C 13 42.726 0.05 . 1 . . . . 57 G CA . 26977 1 333 . 1 1 57 57 GLY N N 15 108.200 0.03 . 1 . . . . 57 G N . 26977 1 334 . 1 1 58 58 ASP H H 1 7.691 0.01 . 1 . . . . 58 D HN . 26977 1 335 . 1 1 58 58 ASP C C 13 177.344 0.05 . 1 . . . . 58 D C . 26977 1 336 . 1 1 58 58 ASP CA C 13 56.532 0.05 . 1 . . . . 58 D CA . 26977 1 337 . 1 1 58 58 ASP CB C 13 41.496 0.05 . 1 . . . . 58 D CB . 26977 1 338 . 1 1 58 58 ASP N N 15 121.647 0.03 . 1 . . . . 58 D N . 26977 1 339 . 1 1 59 59 ILE H H 1 7.492 0.01 . 1 . . . . 59 I HN . 26977 1 340 . 1 1 59 59 ILE HD11 H 1 0.873 0.01 . 1 . . . . 59 I HD1 . 26977 1 341 . 1 1 59 59 ILE HD12 H 1 0.873 0.01 . 1 . . . . 59 I HD1 . 26977 1 342 . 1 1 59 59 ILE HD13 H 1 0.873 0.01 . 1 . . . . 59 I HD1 . 26977 1 343 . 1 1 59 59 ILE CA C 13 57.984 0.05 . 1 . . . . 59 I CA . 26977 1 344 . 1 1 59 59 ILE CB C 13 38.689 0.05 . 1 . . . . 59 I CB . 26977 1 345 . 1 1 59 59 ILE CG1 C 13 27.045 0.05 . 1 . . . . 59 I CG1 . 26977 1 346 . 1 1 59 59 ILE CD1 C 13 15.967 0.05 . 1 . . . . 59 I CD1 . 26977 1 347 . 1 1 59 59 ILE N N 15 110.796 0.03 . 1 . . . . 59 I N . 26977 1 348 . 1 1 60 60 PRO C C 13 177.310 0.05 . 1 . . . . 60 P C . 26977 1 349 . 1 1 60 60 PRO CA C 13 64.573 0.05 . 1 . . . . 60 P CA . 26977 1 350 . 1 1 61 61 LYS H H 1 7.814 0.01 . 1 . . . . 61 K HN . 26977 1 351 . 1 1 61 61 LYS CA C 13 58.493 0.05 . 1 . . . . 61 K CA . 26977 1 352 . 1 1 61 61 LYS CB C 13 31.316 0.05 . 1 . . . . 61 K CB . 26977 1 353 . 1 1 61 61 LYS N N 15 120.546 0.03 . 1 . . . . 61 K N . 26977 1 354 . 1 1 62 62 GLY C C 13 173.013 0.05 . 1 . . . . 62 G C . 26977 1 355 . 1 1 62 62 GLY CA C 13 44.379 0.05 . 1 . . . . 62 G CA . 26977 1 356 . 1 1 63 63 TYR H H 1 8.259 0.01 . 1 . . . . 63 Y HN . 26977 1 357 . 1 1 63 63 TYR C C 13 174.178 0.05 . 1 . . . . 63 Y C . 26977 1 358 . 1 1 63 63 TYR CA C 13 56.271 0.05 . 1 . . . . 63 Y CA . 26977 1 359 . 1 1 63 63 TYR CB C 13 41.621 0.05 . 1 . . . . 63 Y CB . 26977 1 360 . 1 1 63 63 TYR N N 15 118.721 0.03 . 1 . . . . 63 Y N . 26977 1 361 . 1 1 64 64 ARG H H 1 8.835 0.01 . 1 . . . . 64 R HN . 26977 1 362 . 1 1 64 64 ARG C C 13 173.288 0.05 . 1 . . . . 64 R C . 26977 1 363 . 1 1 64 64 ARG CA C 13 54.670 0.05 . 1 . . . . 64 R CA . 26977 1 364 . 1 1 64 64 ARG CB C 13 32.801 0.05 . 1 . . . . 64 R CB . 26977 1 365 . 1 1 64 64 ARG N N 15 119.172 0.03 . 1 . . . . 64 R N . 26977 1 366 . 1 1 65 65 VAL H H 1 7.943 0.01 . 1 . . . . 65 V HN . 26977 1 367 . 1 1 65 65 VAL HG11 H 1 0.294 0.01 . 2 . . . . 65 V HG1 . 26977 1 368 . 1 1 65 65 VAL HG12 H 1 0.294 0.01 . 2 . . . . 65 V HG1 . 26977 1 369 . 1 1 65 65 VAL HG13 H 1 0.294 0.01 . 2 . . . . 65 V HG1 . 26977 1 370 . 1 1 65 65 VAL HG21 H 1 0.234 0.01 . 2 . . . . 65 V HG2 . 26977 1 371 . 1 1 65 65 VAL HG22 H 1 0.234 0.01 . 2 . . . . 65 V HG2 . 26977 1 372 . 1 1 65 65 VAL HG23 H 1 0.234 0.01 . 2 . . . . 65 V HG2 . 26977 1 373 . 1 1 65 65 VAL C C 13 175.746 0.05 . 1 . . . . 65 V C . 26977 1 374 . 1 1 65 65 VAL CA C 13 57.929 0.05 . 1 . . . . 65 V CA . 26977 1 375 . 1 1 65 65 VAL CB C 13 35.421 0.05 . 1 . . . . 65 V CB . 26977 1 376 . 1 1 65 65 VAL CG1 C 13 22.210 0.05 . 1 . . . . 65 V CG1 . 26977 1 377 . 1 1 65 65 VAL CG2 C 13 16.954 0.05 . 1 . . . . 65 V CG2 . 26977 1 378 . 1 1 65 65 VAL N N 15 109.530 0.03 . 1 . . . . 65 V N . 26977 1 379 . 1 1 66 66 SER H H 1 7.874 0.01 . 1 . . . . 66 S HN . 26977 1 380 . 1 1 66 66 SER CA C 13 57.238 0.05 . 1 . . . . 66 S CA . 26977 1 381 . 1 1 66 66 SER CB C 13 63.854 0.05 . 1 . . . . 66 S CB . 26977 1 382 . 1 1 66 66 SER N N 15 112.295 0.03 . 1 . . . . 66 S N . 26977 1 383 . 1 1 69 69 LYS C C 13 176.221 0.05 . 1 . . . . 69 K C . 26977 1 384 . 1 1 70 70 ARG H H 1 9.159 0.01 . 1 . . . . 70 R HN . 26977 1 385 . 1 1 70 70 ARG C C 13 178.568 0.05 . 1 . . . . 70 R C . 26977 1 386 . 1 1 70 70 ARG CB C 13 29.763 0.05 . 1 . . . . 70 R CB . 26977 1 387 . 1 1 70 70 ARG N N 15 121.748 0.03 . 1 . . . . 70 R N . 26977 1 388 . 1 1 71 71 GLU H H 1 9.381 0.01 . 1 . . . . 71 E HN . 26977 1 389 . 1 1 71 71 GLU C C 13 174.982 0.05 . 1 . . . . 71 E C . 26977 1 390 . 1 1 71 71 GLU CA C 13 57.857 0.05 . 1 . . . . 71 E CA . 26977 1 391 . 1 1 71 71 GLU CB C 13 28.737 0.05 . 1 . . . . 71 E CB . 26977 1 392 . 1 1 71 71 GLU N N 15 114.058 0.03 . 1 . . . . 71 E N . 26977 1 393 . 1 1 72 72 HIS H H 1 7.199 0.01 . 1 . . . . 72 H HN . 26977 1 394 . 1 1 72 72 HIS C C 13 173.945 0.05 . 1 . . . . 72 H C . 26977 1 395 . 1 1 72 72 HIS CA C 13 54.710 0.05 . 1 . . . . 72 H CA . 26977 1 396 . 1 1 72 72 HIS CB C 13 35.246 0.05 . 1 . . . . 72 H CB . 26977 1 397 . 1 1 72 72 HIS N N 15 117.963 0.03 . 1 . . . . 72 H N . 26977 1 398 . 1 1 73 73 PHE H H 1 8.894 0.01 . 1 . . . . 73 F HN . 26977 1 399 . 1 1 73 73 PHE C C 13 174.492 0.05 . 1 . . . . 73 F C . 26977 1 400 . 1 1 73 73 PHE CA C 13 53.250 0.05 . 1 . . . . 73 F CA . 26977 1 401 . 1 1 73 73 PHE CB C 13 40.841 0.05 . 1 . . . . 73 F CB . 26977 1 402 . 1 1 73 73 PHE N N 15 124.347 0.03 . 1 . . . . 73 F N . 26977 1 403 . 1 1 74 74 SER H H 1 8.815 0.01 . 1 . . . . 74 S HN . 26977 1 404 . 1 1 74 74 SER C C 13 171.668 0.05 . 1 . . . . 74 S C . 26977 1 405 . 1 1 74 74 SER CA C 13 57.499 0.05 . 1 . . . . 74 S CA . 26977 1 406 . 1 1 74 74 SER CB C 13 64.212 0.05 . 1 . . . . 74 S CB . 26977 1 407 . 1 1 74 74 SER N N 15 122.755 0.03 . 1 . . . . 74 S N . 26977 1 408 . 1 1 75 75 LEU H H 1 8.583 0.01 . 1 . . . . 75 L HN . 26977 1 409 . 1 1 75 75 LEU HD11 H 1 0.311 0.01 . 2 . . . . 75 L HD1 . 26977 1 410 . 1 1 75 75 LEU HD12 H 1 0.311 0.01 . 2 . . . . 75 L HD1 . 26977 1 411 . 1 1 75 75 LEU HD13 H 1 0.311 0.01 . 2 . . . . 75 L HD1 . 26977 1 412 . 1 1 75 75 LEU HD21 H 1 -0.231 0.01 . 2 . . . . 75 L HD2 . 26977 1 413 . 1 1 75 75 LEU HD22 H 1 -0.231 0.01 . 2 . . . . 75 L HD2 . 26977 1 414 . 1 1 75 75 LEU HD23 H 1 -0.231 0.01 . 2 . . . . 75 L HD2 . 26977 1 415 . 1 1 75 75 LEU C C 13 173.265 0.05 . 1 . . . . 75 L C . 26977 1 416 . 1 1 75 75 LEU CA C 13 53.204 0.05 . 1 . . . . 75 L CA . 26977 1 417 . 1 1 75 75 LEU CB C 13 40.399 0.05 . 1 . . . . 75 L CB . 26977 1 418 . 1 1 75 75 LEU CG C 13 25.159 0.05 . 1 . . . . 75 L CG . 26977 1 419 . 1 1 75 75 LEU CD1 C 13 22.658 0.05 . 1 . . . . 75 L CD1 . 26977 1 420 . 1 1 75 75 LEU CD2 C 13 26.383 0.05 . 1 . . . . 75 L CD2 . 26977 1 421 . 1 1 75 75 LEU N N 15 126.237 0.03 . 1 . . . . 75 L N . 26977 1 422 . 1 1 76 76 ILE H H 1 8.738 0.01 . 1 . . . . 76 I HN . 26977 1 423 . 1 1 76 76 ILE HD11 H 1 0.529 0.01 . 1 . . . . 76 I HD1 . 26977 1 424 . 1 1 76 76 ILE HD12 H 1 0.529 0.01 . 1 . . . . 76 I HD1 . 26977 1 425 . 1 1 76 76 ILE HD13 H 1 0.529 0.01 . 1 . . . . 76 I HD1 . 26977 1 426 . 1 1 76 76 ILE C C 13 175.157 0.05 . 1 . . . . 76 I C . 26977 1 427 . 1 1 76 76 ILE CA C 13 59.918 0.05 . 1 . . . . 76 I CA . 26977 1 428 . 1 1 76 76 ILE CB C 13 40.431 0.05 . 1 . . . . 76 I CB . 26977 1 429 . 1 1 76 76 ILE CG1 C 13 27.459 0.05 . 1 . . . . 76 I CG1 . 26977 1 430 . 1 1 76 76 ILE CD1 C 13 14.533 0.05 . 1 . . . . 76 I CD1 . 26977 1 431 . 1 1 76 76 ILE N N 15 125.507 0.03 . 1 . . . . 76 I N . 26977 1 432 . 1 1 77 77 LEU H H 1 8.719 0.01 . 1 . . . . 77 L HN . 26977 1 433 . 1 1 77 77 LEU HD11 H 1 0.457 0.01 . 2 . . . . 77 L HD1 . 26977 1 434 . 1 1 77 77 LEU HD12 H 1 0.457 0.01 . 2 . . . . 77 L HD1 . 26977 1 435 . 1 1 77 77 LEU HD13 H 1 0.457 0.01 . 2 . . . . 77 L HD1 . 26977 1 436 . 1 1 77 77 LEU HD21 H 1 0.530 0.01 . 2 . . . . 77 L HD2 . 26977 1 437 . 1 1 77 77 LEU HD22 H 1 0.530 0.01 . 2 . . . . 77 L HD2 . 26977 1 438 . 1 1 77 77 LEU HD23 H 1 0.530 0.01 . 2 . . . . 77 L HD2 . 26977 1 439 . 1 1 77 77 LEU C C 13 175.314 0.05 . 1 . . . . 77 L C . 26977 1 440 . 1 1 77 77 LEU CA C 13 54.002 0.05 . 1 . . . . 77 L CA . 26977 1 441 . 1 1 77 77 LEU CB C 13 40.003 0.05 . 1 . . . . 77 L CB . 26977 1 442 . 1 1 77 77 LEU CG C 13 28.128 0.05 . 1 . . . . 77 L CG . 26977 1 443 . 1 1 77 77 LEU CD1 C 13 22.687 0.05 . 1 . . . . 77 L CD1 . 26977 1 444 . 1 1 77 77 LEU CD2 C 13 27.958 0.05 . 1 . . . . 77 L CD2 . 26977 1 445 . 1 1 77 77 LEU N N 15 129.866 0.03 . 1 . . . . 77 L N . 26977 1 446 . 1 1 78 78 ASP H H 1 8.361 0.01 . 1 . . . . 78 D HN . 26977 1 447 . 1 1 78 78 ASP C C 13 176.300 0.05 . 1 . . . . 78 D C . 26977 1 448 . 1 1 78 78 ASP CA C 13 56.338 0.05 . 1 . . . . 78 D CA . 26977 1 449 . 1 1 78 78 ASP CB C 13 41.051 0.05 . 1 . . . . 78 D CB . 26977 1 450 . 1 1 78 78 ASP N N 15 122.543 0.03 . 1 . . . . 78 D N . 26977 1 451 . 1 1 79 79 SER H H 1 7.826 0.01 . 1 . . . . 79 S HN . 26977 1 452 . 1 1 79 79 SER C C 13 173.506 0.05 . 1 . . . . 79 S C . 26977 1 453 . 1 1 79 79 SER CA C 13 55.797 0.05 . 1 . . . . 79 S CA . 26977 1 454 . 1 1 79 79 SER CB C 13 60.867 0.05 . 1 . . . . 79 S CB . 26977 1 455 . 1 1 79 79 SER N N 15 112.619 0.03 . 1 . . . . 79 S N . 26977 1 456 . 1 1 80 80 ALA H H 1 8.572 0.01 . 1 . . . . 80 A HN . 26977 1 457 . 1 1 80 80 ALA HB1 H 1 1.224 0.01 . 1 . . . . 80 A HB . 26977 1 458 . 1 1 80 80 ALA HB2 H 1 1.224 0.01 . 1 . . . . 80 A HB . 26977 1 459 . 1 1 80 80 ALA HB3 H 1 1.224 0.01 . 1 . . . . 80 A HB . 26977 1 460 . 1 1 80 80 ALA C C 13 177.761 0.05 . 1 . . . . 80 A C . 26977 1 461 . 1 1 80 80 ALA CA C 13 53.060 0.05 . 1 . . . . 80 A CA . 26977 1 462 . 1 1 80 80 ALA CB C 13 18.131 0.05 . 1 . . . . 80 A CB . 26977 1 463 . 1 1 80 80 ALA N N 15 127.197 0.03 . 1 . . . . 80 A N . 26977 1 464 . 1 1 81 81 LYS H H 1 8.903 0.01 . 1 . . . . 81 K HN . 26977 1 465 . 1 1 81 81 LYS C C 13 178.724 0.05 . 1 . . . . 81 K C . 26977 1 466 . 1 1 81 81 LYS CA C 13 53.586 0.05 . 1 . . . . 81 K CA . 26977 1 467 . 1 1 81 81 LYS CB C 13 34.292 0.05 . 1 . . . . 81 K CB . 26977 1 468 . 1 1 81 81 LYS N N 15 122.405 0.03 . 1 . . . . 81 K N . 26977 1 469 . 1 1 82 82 THR H H 1 8.962 0.01 . 1 . . . . 82 T HN . 26977 1 470 . 1 1 82 82 THR CA C 13 65.398 0.05 . 1 . . . . 82 T CA . 26977 1 471 . 1 1 82 82 THR CB C 13 67.111 0.05 . 1 . . . . 82 T CB . 26977 1 472 . 1 1 82 82 THR N N 15 114.824 0.03 . 1 . . . . 82 T N . 26977 1 473 . 1 1 83 83 ASN C C 13 176.065 0.05 . 1 . . . . 83 N C . 26977 1 474 . 1 1 84 84 GLN H H 1 8.134 0.01 . 1 . . . . 84 Q HN . 26977 1 475 . 1 1 84 84 GLN C C 13 176.749 0.05 . 1 . . . . 84 Q C . 26977 1 476 . 1 1 84 84 GLN CA C 13 55.669 0.05 . 1 . . . . 84 Q CA . 26977 1 477 . 1 1 84 84 GLN CB C 13 27.774 0.05 . 1 . . . . 84 Q CB . 26977 1 478 . 1 1 84 84 GLN N N 15 116.844 0.03 . 1 . . . . 84 Q N . 26977 1 479 . 1 1 85 85 THR H H 1 7.727 0.01 . 1 . . . . 85 T HN . 26977 1 480 . 1 1 85 85 THR C C 13 173.499 0.05 . 1 . . . . 85 T C . 26977 1 481 . 1 1 85 85 THR CA C 13 63.885 0.05 . 1 . . . . 85 T CA . 26977 1 482 . 1 1 85 85 THR CB C 13 69.963 0.05 . 1 . . . . 85 T CB . 26977 1 483 . 1 1 85 85 THR N N 15 123.243 0.03 . 1 . . . . 85 T N . 26977 1 484 . 1 1 86 86 SER H H 1 8.844 0.01 . 1 . . . . 86 S HN . 26977 1 485 . 1 1 86 86 SER C C 13 174.105 0.05 . 1 . . . . 86 S C . 26977 1 486 . 1 1 86 86 SER CA C 13 57.780 0.05 . 1 . . . . 86 S CA . 26977 1 487 . 1 1 86 86 SER CB C 13 60.093 0.05 . 1 . . . . 86 S CB . 26977 1 488 . 1 1 86 86 SER N N 15 122.978 0.03 . 1 . . . . 86 S N . 26977 1 489 . 1 1 87 87 VAL H H 1 8.256 0.01 . 1 . . . . 87 V HN . 26977 1 490 . 1 1 87 87 VAL HG11 H 1 0.829 0.01 . 2 . . . . 87 V HG1 . 26977 1 491 . 1 1 87 87 VAL HG12 H 1 0.829 0.01 . 2 . . . . 87 V HG1 . 26977 1 492 . 1 1 87 87 VAL HG13 H 1 0.829 0.01 . 2 . . . . 87 V HG1 . 26977 1 493 . 1 1 87 87 VAL HG21 H 1 0.321 0.01 . 2 . . . . 87 V HG2 . 26977 1 494 . 1 1 87 87 VAL HG22 H 1 0.321 0.01 . 2 . . . . 87 V HG2 . 26977 1 495 . 1 1 87 87 VAL HG23 H 1 0.321 0.01 . 2 . . . . 87 V HG2 . 26977 1 496 . 1 1 87 87 VAL C C 13 173.997 0.05 . 1 . . . . 87 V C . 26977 1 497 . 1 1 87 87 VAL CA C 13 61.096 0.05 . 1 . . . . 87 V CA . 26977 1 498 . 1 1 87 87 VAL CB C 13 31.816 0.05 . 1 . . . . 87 V CB . 26977 1 499 . 1 1 87 87 VAL CG1 C 13 21.654 0.05 . 1 . . . . 87 V CG1 . 26977 1 500 . 1 1 87 87 VAL CG2 C 13 21.667 0.05 . 1 . . . . 87 V CG2 . 26977 1 501 . 1 1 87 87 VAL N N 15 119.775 0.03 . 1 . . . . 87 V N . 26977 1 502 . 1 1 88 88 TYR H H 1 8.792 0.01 . 1 . . . . 88 Y HN . 26977 1 503 . 1 1 88 88 TYR C C 13 176.761 0.05 . 1 . . . . 88 Y C . 26977 1 504 . 1 1 88 88 TYR CA C 13 56.264 0.05 . 1 . . . . 88 Y CA . 26977 1 505 . 1 1 88 88 TYR CB C 13 40.571 0.05 . 1 . . . . 88 Y CB . 26977 1 506 . 1 1 88 88 TYR N N 15 122.964 0.03 . 1 . . . . 88 Y N . 26977 1 507 . 1 1 89 89 PHE H H 1 9.621 0.01 . 1 . . . . 89 F HN . 26977 1 508 . 1 1 89 89 PHE C C 13 173.164 0.05 . 1 . . . . 89 F C . 26977 1 509 . 1 1 89 89 PHE CA C 13 57.957 0.05 . 1 . . . . 89 F CA . 26977 1 510 . 1 1 89 89 PHE CB C 13 42.743 0.05 . 1 . . . . 89 F CB . 26977 1 511 . 1 1 89 89 PHE N N 15 122.446 0.03 . 1 . . . . 89 F N . 26977 1 512 . 1 1 90 90 CYS H H 1 8.104 0.01 . 1 . . . . 90 C HN . 26977 1 513 . 1 1 90 90 CYS C C 13 171.545 0.05 . 1 . . . . 90 C C . 26977 1 514 . 1 1 90 90 CYS CA C 13 51.566 0.05 . 1 . . . . 90 C CA . 26977 1 515 . 1 1 90 90 CYS CB C 13 42.675 0.05 . 1 . . . . 90 C CB . 26977 1 516 . 1 1 90 90 CYS N N 15 123.970 0.03 . 1 . . . . 90 C N . 26977 1 517 . 1 1 91 91 ALA H H 1 8.501 0.01 . 1 . . . . 91 A HN . 26977 1 518 . 1 1 91 91 ALA HB1 H 1 1.614 0.01 . 1 . . . . 91 A HB . 26977 1 519 . 1 1 91 91 ALA HB2 H 1 1.614 0.01 . 1 . . . . 91 A HB . 26977 1 520 . 1 1 91 91 ALA HB3 H 1 1.614 0.01 . 1 . . . . 91 A HB . 26977 1 521 . 1 1 91 91 ALA C C 13 175.448 0.05 . 1 . . . . 91 A C . 26977 1 522 . 1 1 91 91 ALA CA C 13 49.596 0.05 . 1 . . . . 91 A CA . 26977 1 523 . 1 1 91 91 ALA CB C 13 22.273 0.05 . 1 . . . . 91 A CB . 26977 1 524 . 1 1 91 91 ALA N N 15 128.639 0.03 . 1 . . . . 91 A N . 26977 1 525 . 1 1 92 92 SER H H 1 9.181 0.01 . 1 . . . . 92 S HN . 26977 1 526 . 1 1 92 92 SER CA C 13 57.764 0.05 . 1 . . . . 92 S CA . 26977 1 527 . 1 1 92 92 SER CB C 13 66.367 0.05 . 1 . . . . 92 S CB . 26977 1 528 . 1 1 92 92 SER N N 15 115.491 0.03 . 1 . . . . 92 S N . 26977 1 529 . 1 1 93 93 SER C C 13 171.477 0.05 . 1 . . . . 93 S C . 26977 1 530 . 1 1 93 93 SER CA C 13 57.841 0.05 . 1 . . . . 93 S CA . 26977 1 531 . 1 1 93 93 SER CB C 13 66.432 0.05 . 1 . . . . 93 S CB . 26977 1 532 . 1 1 94 94 LEU H H 1 8.211 0.01 . 1 . . . . 94 L HN . 26977 1 533 . 1 1 94 94 LEU HD11 H 1 0.939 0.01 . 2 . . . . 94 L HD1 . 26977 1 534 . 1 1 94 94 LEU HD12 H 1 0.939 0.01 . 2 . . . . 94 L HD1 . 26977 1 535 . 1 1 94 94 LEU HD13 H 1 0.939 0.01 . 2 . . . . 94 L HD1 . 26977 1 536 . 1 1 94 94 LEU HD21 H 1 0.986 0.01 . 2 . . . . 94 L HD2 . 26977 1 537 . 1 1 94 94 LEU HD22 H 1 0.986 0.01 . 2 . . . . 94 L HD2 . 26977 1 538 . 1 1 94 94 LEU HD23 H 1 0.986 0.01 . 2 . . . . 94 L HD2 . 26977 1 539 . 1 1 94 94 LEU CA C 13 53.738 0.05 . 1 . . . . 94 L CA . 26977 1 540 . 1 1 94 94 LEU CB C 13 40.951 0.05 . 1 . . . . 94 L CB . 26977 1 541 . 1 1 94 94 LEU CG C 13 26.284 0.05 . 1 . . . . 94 L CG . 26977 1 542 . 1 1 94 94 LEU CD1 C 13 25.077 0.05 . 1 . . . . 94 L CD1 . 26977 1 543 . 1 1 94 94 LEU CD2 C 13 24.401 0.05 . 1 . . . . 94 L CD2 . 26977 1 544 . 1 1 94 94 LEU N N 15 122.139 0.03 . 1 . . . . 94 L N . 26977 1 545 . 1 1 99 99 VAL HG11 H 1 0.669 0.01 . 2 . . . . 99 V HG1 . 26977 1 546 . 1 1 99 99 VAL HG12 H 1 0.669 0.01 . 2 . . . . 99 V HG1 . 26977 1 547 . 1 1 99 99 VAL HG13 H 1 0.669 0.01 . 2 . . . . 99 V HG1 . 26977 1 548 . 1 1 99 99 VAL HG21 H 1 0.014 0.01 . 2 . . . . 99 V HG2 . 26977 1 549 . 1 1 99 99 VAL HG22 H 1 0.014 0.01 . 2 . . . . 99 V HG2 . 26977 1 550 . 1 1 99 99 VAL HG23 H 1 0.014 0.01 . 2 . . . . 99 V HG2 . 26977 1 551 . 1 1 99 99 VAL C C 13 174.840 0.05 . 1 . . . . 99 V C . 26977 1 552 . 1 1 99 99 VAL CG1 C 13 21.430 0.05 . 1 . . . . 99 V CG1 . 26977 1 553 . 1 1 99 99 VAL CG2 C 13 23.581 0.05 . 1 . . . . 99 V CG2 . 26977 1 554 . 1 1 100 100 PHE H H 1 9.332 0.01 . 1 . . . . 100 F HN . 26977 1 555 . 1 1 100 100 PHE C C 13 174.642 0.05 . 1 . . . . 100 F C . 26977 1 556 . 1 1 100 100 PHE CA C 13 57.010 0.05 . 1 . . . . 100 F CA . 26977 1 557 . 1 1 100 100 PHE CB C 13 39.609 0.05 . 1 . . . . 100 F CB . 26977 1 558 . 1 1 100 100 PHE N N 15 128.431 0.03 . 1 . . . . 100 F N . 26977 1 559 . 1 1 101 101 PHE H H 1 9.163 0.01 . 1 . . . . 101 F HN . 26977 1 560 . 1 1 101 101 PHE C C 13 178.711 0.05 . 1 . . . . 101 F C . 26977 1 561 . 1 1 101 101 PHE CA C 13 57.371 0.05 . 1 . . . . 101 F CA . 26977 1 562 . 1 1 101 101 PHE CB C 13 41.818 0.05 . 1 . . . . 101 F CB . 26977 1 563 . 1 1 101 101 PHE N N 15 120.289 0.03 . 1 . . . . 101 F N . 26977 1 564 . 1 1 102 102 GLY H H 1 9.028 0.01 . 1 . . . . 102 G HN . 26977 1 565 . 1 1 102 102 GLY C C 13 172.344 0.05 . 1 . . . . 102 G C . 26977 1 566 . 1 1 102 102 GLY CA C 13 43.880 0.05 . 1 . . . . 102 G CA . 26977 1 567 . 1 1 102 102 GLY N N 15 108.085 0.03 . 1 . . . . 102 G N . 26977 1 568 . 1 1 103 103 LYS H H 1 8.355 0.01 . 1 . . . . 103 K HN . 26977 1 569 . 1 1 103 103 LYS C C 13 177.008 0.05 . 1 . . . . 103 K C . 26977 1 570 . 1 1 103 103 LYS CA C 13 56.979 0.05 . 1 . . . . 103 K CA . 26977 1 571 . 1 1 103 103 LYS CB C 13 32.583 0.05 . 1 . . . . 103 K CB . 26977 1 572 . 1 1 103 103 LYS N N 15 113.819 0.03 . 1 . . . . 103 K N . 26977 1 573 . 1 1 104 104 GLY H H 1 6.819 0.01 . 1 . . . . 104 G HN . 26977 1 574 . 1 1 104 104 GLY C C 13 173.098 0.05 . 1 . . . . 104 G C . 26977 1 575 . 1 1 104 104 GLY CA C 13 43.956 0.05 . 1 . . . . 104 G CA . 26977 1 576 . 1 1 104 104 GLY N N 15 103.224 0.03 . 1 . . . . 104 G N . 26977 1 577 . 1 1 105 105 THR H H 1 8.206 0.01 . 1 . . . . 105 T HN . 26977 1 578 . 1 1 105 105 THR C C 13 173.305 0.05 . 1 . . . . 105 T C . 26977 1 579 . 1 1 105 105 THR CA C 13 61.244 0.05 . 1 . . . . 105 T CA . 26977 1 580 . 1 1 105 105 THR N N 15 119.454 0.03 . 1 . . . . 105 T N . 26977 1 581 . 1 1 106 106 ARG H H 1 8.034 0.01 . 1 . . . . 106 R HN . 26977 1 582 . 1 1 106 106 ARG C C 13 172.015 0.05 . 1 . . . . 106 R C . 26977 1 583 . 1 1 106 106 ARG CA C 13 55.167 0.05 . 1 . . . . 106 R CA . 26977 1 584 . 1 1 106 106 ARG CB C 13 28.677 0.05 . 1 . . . . 106 R CB . 26977 1 585 . 1 1 106 106 ARG N N 15 129.118 0.03 . 1 . . . . 106 R N . 26977 1 586 . 1 1 107 107 LEU H H 1 8.328 0.01 . 1 . . . . 107 L HN . 26977 1 587 . 1 1 107 107 LEU HD11 H 1 0.679 0.01 . 2 . . . . 107 L HD1 . 26977 1 588 . 1 1 107 107 LEU HD12 H 1 0.679 0.01 . 2 . . . . 107 L HD1 . 26977 1 589 . 1 1 107 107 LEU HD13 H 1 0.679 0.01 . 2 . . . . 107 L HD1 . 26977 1 590 . 1 1 107 107 LEU HD21 H 1 0.631 0.01 . 2 . . . . 107 L HD2 . 26977 1 591 . 1 1 107 107 LEU HD22 H 1 0.631 0.01 . 2 . . . . 107 L HD2 . 26977 1 592 . 1 1 107 107 LEU HD23 H 1 0.631 0.01 . 2 . . . . 107 L HD2 . 26977 1 593 . 1 1 107 107 LEU C C 13 175.654 0.05 . 1 . . . . 107 L C . 26977 1 594 . 1 1 107 107 LEU CA C 13 52.403 0.05 . 1 . . . . 107 L CA . 26977 1 595 . 1 1 107 107 LEU CB C 13 43.893 0.05 . 1 . . . . 107 L CB . 26977 1 596 . 1 1 107 107 LEU CG C 13 27.543 0.05 . 1 . . . . 107 L CG . 26977 1 597 . 1 1 107 107 LEU CD1 C 13 23.798 0.05 . 1 . . . . 107 L CD1 . 26977 1 598 . 1 1 107 107 LEU CD2 C 13 26.614 0.05 . 1 . . . . 107 L CD2 . 26977 1 599 . 1 1 107 107 LEU N N 15 128.903 0.03 . 1 . . . . 107 L N . 26977 1 600 . 1 1 108 108 THR H H 1 8.947 0.01 . 1 . . . . 108 T HN . 26977 1 601 . 1 1 108 108 THR C C 13 172.118 0.05 . 1 . . . . 108 T C . 26977 1 602 . 1 1 108 108 THR CA C 13 62.376 0.05 . 1 . . . . 108 T CA . 26977 1 603 . 1 1 108 108 THR CB C 13 68.781 0.05 . 1 . . . . 108 T CB . 26977 1 604 . 1 1 108 108 THR N N 15 124.132 0.03 . 1 . . . . 108 T N . 26977 1 605 . 1 1 109 109 VAL H H 1 8.598 0.01 . 1 . . . . 109 V HN . 26977 1 606 . 1 1 109 109 VAL HG11 H 1 0.619 0.01 . 2 . . . . 109 V HG1 . 26977 1 607 . 1 1 109 109 VAL HG12 H 1 0.619 0.01 . 2 . . . . 109 V HG1 . 26977 1 608 . 1 1 109 109 VAL HG13 H 1 0.619 0.01 . 2 . . . . 109 V HG1 . 26977 1 609 . 1 1 109 109 VAL HG21 H 1 0.411 0.01 . 2 . . . . 109 V HG2 . 26977 1 610 . 1 1 109 109 VAL HG22 H 1 0.411 0.01 . 2 . . . . 109 V HG2 . 26977 1 611 . 1 1 109 109 VAL HG23 H 1 0.411 0.01 . 2 . . . . 109 V HG2 . 26977 1 612 . 1 1 109 109 VAL C C 13 175.730 0.05 . 1 . . . . 109 V C . 26977 1 613 . 1 1 109 109 VAL CA C 13 59.619 0.05 . 1 . . . . 109 V CA . 26977 1 614 . 1 1 109 109 VAL CB C 13 31.623 0.05 . 1 . . . . 109 V CB . 26977 1 615 . 1 1 109 109 VAL CG1 C 13 19.926 0.05 . 1 . . . . 109 V CG1 . 26977 1 616 . 1 1 109 109 VAL CG2 C 13 20.041 0.05 . 1 . . . . 109 V CG2 . 26977 1 617 . 1 1 109 109 VAL N N 15 129.537 0.03 . 1 . . . . 109 V N . 26977 1 618 . 1 1 110 110 VAL H H 1 8.482 0.01 . 1 . . . . 110 V HN . 26977 1 619 . 1 1 110 110 VAL HG11 H 1 0.718 0.01 . 2 . . . . 110 V HG1 . 26977 1 620 . 1 1 110 110 VAL HG12 H 1 0.718 0.01 . 2 . . . . 110 V HG1 . 26977 1 621 . 1 1 110 110 VAL HG13 H 1 0.718 0.01 . 2 . . . . 110 V HG1 . 26977 1 622 . 1 1 110 110 VAL HG21 H 1 1.005 0.01 . 2 . . . . 110 V HG2 . 26977 1 623 . 1 1 110 110 VAL HG22 H 1 1.005 0.01 . 2 . . . . 110 V HG2 . 26977 1 624 . 1 1 110 110 VAL HG23 H 1 1.005 0.01 . 2 . . . . 110 V HG2 . 26977 1 625 . 1 1 110 110 VAL C C 13 175.627 0.05 . 1 . . . . 110 V C . 26977 1 626 . 1 1 110 110 VAL CA C 13 58.134 0.05 . 1 . . . . 110 V CA . 26977 1 627 . 1 1 110 110 VAL CB C 13 33.427 0.05 . 1 . . . . 110 V CB . 26977 1 628 . 1 1 110 110 VAL CG1 C 13 19.405 0.05 . 1 . . . . 110 V CG1 . 26977 1 629 . 1 1 110 110 VAL CG2 C 13 22.503 0.05 . 1 . . . . 110 V CG2 . 26977 1 630 . 1 1 110 110 VAL N N 15 118.840 0.03 . 1 . . . . 110 V N . 26977 1 631 . 1 1 111 111 GLU H H 1 9.055 0.01 . 1 . . . . 111 E HN . 26977 1 632 . 1 1 111 111 GLU C C 13 176.338 0.05 . 1 . . . . 111 E C . 26977 1 633 . 1 1 111 111 GLU CA C 13 58.783 0.05 . 1 . . . . 111 E CA . 26977 1 634 . 1 1 111 111 GLU CB C 13 29.142 0.05 . 1 . . . . 111 E CB . 26977 1 635 . 1 1 111 111 GLU N N 15 122.688 0.03 . 1 . . . . 111 E N . 26977 1 636 . 1 1 112 112 ASP H H 1 7.726 0.01 . 1 . . . . 112 D HN . 26977 1 637 . 1 1 112 112 ASP C C 13 176.567 0.05 . 1 . . . . 112 D C . 26977 1 638 . 1 1 112 112 ASP CA C 13 52.669 0.05 . 1 . . . . 112 D CA . 26977 1 639 . 1 1 112 112 ASP CB C 13 42.611 0.05 . 1 . . . . 112 D CB . 26977 1 640 . 1 1 112 112 ASP N N 15 116.271 0.03 . 1 . . . . 112 D N . 26977 1 641 . 1 1 113 113 LEU H H 1 8.951 0.01 . 1 . . . . 113 L HN . 26977 1 642 . 1 1 113 113 LEU HD11 H 1 0.909 0.01 . 2 . . . . 113 L HD1 . 26977 1 643 . 1 1 113 113 LEU HD12 H 1 0.909 0.01 . 2 . . . . 113 L HD1 . 26977 1 644 . 1 1 113 113 LEU HD13 H 1 0.909 0.01 . 2 . . . . 113 L HD1 . 26977 1 645 . 1 1 113 113 LEU HD21 H 1 1.181 0.01 . 2 . . . . 113 L HD2 . 26977 1 646 . 1 1 113 113 LEU HD22 H 1 1.181 0.01 . 2 . . . . 113 L HD2 . 26977 1 647 . 1 1 113 113 LEU HD23 H 1 1.181 0.01 . 2 . . . . 113 L HD2 . 26977 1 648 . 1 1 113 113 LEU C C 13 177.724 0.05 . 1 . . . . 113 L C . 26977 1 649 . 1 1 113 113 LEU CA C 13 56.778 0.05 . 1 . . . . 113 L CA . 26977 1 650 . 1 1 113 113 LEU CB C 13 41.000 0.05 . 1 . . . . 113 L CB . 26977 1 651 . 1 1 113 113 LEU CG C 13 26.224 0.05 . 1 . . . . 113 L CG . 26977 1 652 . 1 1 113 113 LEU CD1 C 13 22.374 0.05 . 1 . . . . 113 L CD1 . 26977 1 653 . 1 1 113 113 LEU CD2 C 13 25.479 0.05 . 1 . . . . 113 L CD2 . 26977 1 654 . 1 1 113 113 LEU N N 15 125.584 0.03 . 1 . . . . 113 L N . 26977 1 655 . 1 1 114 114 ARG H H 1 8.460 0.01 . 1 . . . . 114 R HN . 26977 1 656 . 1 1 114 114 ARG C C 13 177.002 0.05 . 1 . . . . 114 R C . 26977 1 657 . 1 1 114 114 ARG CA C 13 57.723 0.05 . 1 . . . . 114 R CA . 26977 1 658 . 1 1 114 114 ARG CB C 13 28.665 0.05 . 1 . . . . 114 R CB . 26977 1 659 . 1 1 114 114 ARG N N 15 115.255 0.03 . 1 . . . . 114 R N . 26977 1 660 . 1 1 115 115 ASN H H 1 7.417 0.01 . 1 . . . . 115 N HN . 26977 1 661 . 1 1 115 115 ASN C C 13 175.854 0.05 . 1 . . . . 115 N C . 26977 1 662 . 1 1 115 115 ASN CA C 13 54.253 0.05 . 1 . . . . 115 N CA . 26977 1 663 . 1 1 115 115 ASN CB C 13 38.949 0.05 . 1 . . . . 115 N CB . 26977 1 664 . 1 1 115 115 ASN N N 15 113.209 0.03 . 1 . . . . 115 N N . 26977 1 665 . 1 1 116 116 VAL H H 1 8.158 0.01 . 1 . . . . 116 V HN . 26977 1 666 . 1 1 116 116 VAL HG11 H 1 1.367 0.01 . 2 . . . . 116 V HG1 . 26977 1 667 . 1 1 116 116 VAL HG12 H 1 1.367 0.01 . 2 . . . . 116 V HG1 . 26977 1 668 . 1 1 116 116 VAL HG13 H 1 1.367 0.01 . 2 . . . . 116 V HG1 . 26977 1 669 . 1 1 116 116 VAL HG21 H 1 1.321 0.01 . 2 . . . . 116 V HG2 . 26977 1 670 . 1 1 116 116 VAL HG22 H 1 1.321 0.01 . 2 . . . . 116 V HG2 . 26977 1 671 . 1 1 116 116 VAL HG23 H 1 1.321 0.01 . 2 . . . . 116 V HG2 . 26977 1 672 . 1 1 116 116 VAL C C 13 174.844 0.05 . 1 . . . . 116 V C . 26977 1 673 . 1 1 116 116 VAL CA C 13 64.002 0.05 . 1 . . . . 116 V CA . 26977 1 674 . 1 1 116 116 VAL CB C 13 29.942 0.05 . 1 . . . . 116 V CB . 26977 1 675 . 1 1 116 116 VAL CG1 C 13 21.370 0.05 . 1 . . . . 116 V CG1 . 26977 1 676 . 1 1 116 116 VAL CG2 C 13 22.979 0.05 . 1 . . . . 116 V CG2 . 26977 1 677 . 1 1 116 116 VAL N N 15 123.245 0.03 . 1 . . . . 116 V N . 26977 1 678 . 1 1 117 117 THR H H 1 9.385 0.01 . 1 . . . . 117 T HN . 26977 1 679 . 1 1 117 117 THR CA C 13 58.700 0.05 . 1 . . . . 117 T CA . 26977 1 680 . 1 1 117 117 THR CB C 13 72.416 0.05 . 1 . . . . 117 T CB . 26977 1 681 . 1 1 117 117 THR N N 15 123.483 0.03 . 1 . . . . 117 T N . 26977 1 682 . 1 1 119 119 PRO C C 13 175.456 0.05 . 1 . . . . 119 P C . 26977 1 683 . 1 1 119 119 PRO CA C 13 61.873 0.05 . 1 . . . . 119 P CA . 26977 1 684 . 1 1 120 120 LYS H H 1 8.609 0.01 . 1 . . . . 120 K HN . 26977 1 685 . 1 1 120 120 LYS C C 13 176.528 0.05 . 1 . . . . 120 K C . 26977 1 686 . 1 1 120 120 LYS CA C 13 55.493 0.05 . 1 . . . . 120 K CA . 26977 1 687 . 1 1 120 120 LYS CB C 13 31.628 0.05 . 1 . . . . 120 K CB . 26977 1 688 . 1 1 120 120 LYS N N 15 119.658 0.03 . 1 . . . . 120 K N . 26977 1 689 . 1 1 121 121 VAL H H 1 8.671 0.01 . 1 . . . . 121 V HN . 26977 1 690 . 1 1 121 121 VAL HG11 H 1 0.644 0.01 . 2 . . . . 121 V HG1 . 26977 1 691 . 1 1 121 121 VAL HG12 H 1 0.644 0.01 . 2 . . . . 121 V HG1 . 26977 1 692 . 1 1 121 121 VAL HG13 H 1 0.644 0.01 . 2 . . . . 121 V HG1 . 26977 1 693 . 1 1 121 121 VAL HG21 H 1 0.617 0.01 . 2 . . . . 121 V HG2 . 26977 1 694 . 1 1 121 121 VAL HG22 H 1 0.617 0.01 . 2 . . . . 121 V HG2 . 26977 1 695 . 1 1 121 121 VAL HG23 H 1 0.617 0.01 . 2 . . . . 121 V HG2 . 26977 1 696 . 1 1 121 121 VAL C C 13 174.349 0.05 . 1 . . . . 121 V C . 26977 1 697 . 1 1 121 121 VAL CB C 13 33.397 0.05 . 1 . . . . 121 V CB . 26977 1 698 . 1 1 121 121 VAL CG1 C 13 21.348 0.05 . 1 . . . . 121 V CG1 . 26977 1 699 . 1 1 121 121 VAL CG2 C 13 22.022 0.05 . 1 . . . . 121 V CG2 . 26977 1 700 . 1 1 121 121 VAL N N 15 126.391 0.03 . 1 . . . . 121 V N . 26977 1 701 . 1 1 122 122 SER H H 1 8.740 0.01 . 1 . . . . 122 S HN . 26977 1 702 . 1 1 122 122 SER C C 13 170.000 0.05 . 1 . . . . 122 S C . 26977 1 703 . 1 1 122 122 SER CA C 13 57.148 0.05 . 1 . . . . 122 S CA . 26977 1 704 . 1 1 122 122 SER CB C 13 65.883 0.05 . 1 . . . . 122 S CB . 26977 1 705 . 1 1 122 122 SER N N 15 123.674 0.03 . 1 . . . . 122 S N . 26977 1 706 . 1 1 123 123 LEU H H 1 8.484 0.01 . 1 . . . . 123 L HN . 26977 1 707 . 1 1 123 123 LEU HD11 H 1 0.980 0.01 . 2 . . . . 123 L HD1 . 26977 1 708 . 1 1 123 123 LEU HD12 H 1 0.980 0.01 . 2 . . . . 123 L HD1 . 26977 1 709 . 1 1 123 123 LEU HD13 H 1 0.980 0.01 . 2 . . . . 123 L HD1 . 26977 1 710 . 1 1 123 123 LEU HD21 H 1 0.780 0.01 . 2 . . . . 123 L HD2 . 26977 1 711 . 1 1 123 123 LEU HD22 H 1 0.780 0.01 . 2 . . . . 123 L HD2 . 26977 1 712 . 1 1 123 123 LEU HD23 H 1 0.780 0.01 . 2 . . . . 123 L HD2 . 26977 1 713 . 1 1 123 123 LEU C C 13 173.549 0.05 . 1 . . . . 123 L C . 26977 1 714 . 1 1 123 123 LEU CA C 13 53.254 0.05 . 1 . . . . 123 L CA . 26977 1 715 . 1 1 123 123 LEU CB C 13 44.066 0.05 . 1 . . . . 123 L CB . 26977 1 716 . 1 1 123 123 LEU CG C 13 26.668 0.05 . 1 . . . . 123 L CG . 26977 1 717 . 1 1 123 123 LEU CD1 C 13 25.482 0.05 . 1 . . . . 123 L CD1 . 26977 1 718 . 1 1 123 123 LEU CD2 C 13 25.882 0.05 . 1 . . . . 123 L CD2 . 26977 1 719 . 1 1 123 123 LEU N N 15 126.709 0.03 . 1 . . . . 123 L N . 26977 1 720 . 1 1 124 124 PHE H H 1 9.513 0.01 . 1 . . . . 124 F HN . 26977 1 721 . 1 1 124 124 PHE C C 13 175.142 0.05 . 1 . . . . 124 F C . 26977 1 722 . 1 1 124 124 PHE CA C 13 57.065 0.05 . 1 . . . . 124 F CA . 26977 1 723 . 1 1 124 124 PHE CB C 13 39.463 0.05 . 1 . . . . 124 F CB . 26977 1 724 . 1 1 124 124 PHE N N 15 125.254 0.03 . 1 . . . . 124 F N . 26977 1 725 . 1 1 125 125 GLU H H 1 7.795 0.01 . 1 . . . . 125 E HN . 26977 1 726 . 1 1 125 125 GLU CA C 13 54.324 0.05 . 1 . . . . 125 E CA . 26977 1 727 . 1 1 125 125 GLU CB C 13 28.519 0.05 . 1 . . . . 125 E CB . 26977 1 728 . 1 1 125 125 GLU N N 15 121.398 0.03 . 1 . . . . 125 E N . 26977 1 729 . 1 1 126 126 PRO C C 13 176.551 0.05 . 1 . . . . 126 P C . 26977 1 730 . 1 1 126 126 PRO CA C 13 61.540 0.05 . 1 . . . . 126 P CA . 26977 1 731 . 1 1 127 127 SER H H 1 9.346 0.01 . 1 . . . . 127 S HN . 26977 1 732 . 1 1 127 127 SER C C 13 177.038 0.05 . 1 . . . . 127 S C . 26977 1 733 . 1 1 127 127 SER CA C 13 56.631 0.05 . 1 . . . . 127 S CA . 26977 1 734 . 1 1 127 127 SER CB C 13 62.660 0.05 . 1 . . . . 127 S CB . 26977 1 735 . 1 1 127 127 SER N N 15 116.415 0.03 . 1 . . . . 127 S N . 26977 1 736 . 1 1 128 128 LYS H H 1 9.084 0.01 . 1 . . . . 128 K HN . 26977 1 737 . 1 1 128 128 LYS CA C 13 59.265 0.05 . 1 . . . . 128 K CA . 26977 1 738 . 1 1 128 128 LYS CB C 13 31.458 0.05 . 1 . . . . 128 K CB . 26977 1 739 . 1 1 128 128 LYS N N 15 129.089 0.03 . 1 . . . . 128 K N . 26977 1 740 . 1 1 129 129 ALA HB1 H 1 1.567 0.01 . 1 . . . . 129 A HB . 26977 1 741 . 1 1 129 129 ALA HB2 H 1 1.567 0.01 . 1 . . . . 129 A HB . 26977 1 742 . 1 1 129 129 ALA HB3 H 1 1.567 0.01 . 1 . . . . 129 A HB . 26977 1 743 . 1 1 129 129 ALA C C 13 178.932 0.05 . 1 . . . . 129 A C . 26977 1 744 . 1 1 130 130 GLU H H 1 6.578 0.01 . 1 . . . . 130 E HN . 26977 1 745 . 1 1 130 130 GLU C C 13 179.100 0.05 . 1 . . . . 130 E C . 26977 1 746 . 1 1 130 130 GLU CA C 13 58.713 0.05 . 1 . . . . 130 E CA . 26977 1 747 . 1 1 130 130 GLU CB C 13 27.916 0.05 . 1 . . . . 130 E CB . 26977 1 748 . 1 1 130 130 GLU N N 15 123.445 0.03 . 1 . . . . 130 E N . 26977 1 749 . 1 1 131 131 ILE H H 1 7.405 0.01 . 1 . . . . 131 I HN . 26977 1 750 . 1 1 131 131 ILE HD11 H 1 0.700 0.01 . 1 . . . . 131 I HD1 . 26977 1 751 . 1 1 131 131 ILE HD12 H 1 0.700 0.01 . 1 . . . . 131 I HD1 . 26977 1 752 . 1 1 131 131 ILE HD13 H 1 0.700 0.01 . 1 . . . . 131 I HD1 . 26977 1 753 . 1 1 131 131 ILE C C 13 179.437 0.05 . 1 . . . . 131 I C . 26977 1 754 . 1 1 131 131 ILE CA C 13 64.955 0.05 . 1 . . . . 131 I CA . 26977 1 755 . 1 1 131 131 ILE CB C 13 37.968 0.05 . 1 . . . . 131 I CB . 26977 1 756 . 1 1 131 131 ILE CD1 C 13 14.851 0.05 . 1 . . . . 131 I CD1 . 26977 1 757 . 1 1 131 131 ILE N N 15 120.709 0.03 . 1 . . . . 131 I N . 26977 1 758 . 1 1 132 132 ALA H H 1 8.071 0.01 . 1 . . . . 132 A HN . 26977 1 759 . 1 1 132 132 ALA HB1 H 1 1.529 0.01 . 1 . . . . 132 A HB . 26977 1 760 . 1 1 132 132 ALA HB2 H 1 1.529 0.01 . 1 . . . . 132 A HB . 26977 1 761 . 1 1 132 132 ALA HB3 H 1 1.529 0.01 . 1 . . . . 132 A HB . 26977 1 762 . 1 1 132 132 ALA C C 13 179.217 0.05 . 1 . . . . 132 A C . 26977 1 763 . 1 1 132 132 ALA CA C 13 54.446 0.05 . 1 . . . . 132 A CA . 26977 1 764 . 1 1 132 132 ALA CB C 13 18.078 0.05 . 1 . . . . 132 A CB . 26977 1 765 . 1 1 132 132 ALA N N 15 120.409 0.03 . 1 . . . . 132 A N . 26977 1 766 . 1 1 133 133 ASN H H 1 8.066 0.01 . 1 . . . . 133 N HN . 26977 1 767 . 1 1 133 133 ASN C C 13 176.958 0.05 . 1 . . . . 133 N C . 26977 1 768 . 1 1 133 133 ASN CA C 13 54.786 0.05 . 1 . . . . 133 N CA . 26977 1 769 . 1 1 133 133 ASN CB C 13 39.128 0.05 . 1 . . . . 133 N CB . 26977 1 770 . 1 1 133 133 ASN N N 15 112.795 0.03 . 1 . . . . 133 N N . 26977 1 771 . 1 1 134 134 LYS H H 1 8.627 0.01 . 1 . . . . 134 K HN . 26977 1 772 . 1 1 134 134 LYS C C 13 176.044 0.05 . 1 . . . . 134 K C . 26977 1 773 . 1 1 134 134 LYS CA C 13 55.098 0.05 . 1 . . . . 134 K CA . 26977 1 774 . 1 1 134 134 LYS CB C 13 33.312 0.05 . 1 . . . . 134 K CB . 26977 1 775 . 1 1 134 134 LYS N N 15 116.428 0.03 . 1 . . . . 134 K N . 26977 1 776 . 1 1 135 135 GLN H H 1 7.766 0.01 . 1 . . . . 135 Q HN . 26977 1 777 . 1 1 135 135 GLN C C 13 175.111 0.05 . 1 . . . . 135 Q C . 26977 1 778 . 1 1 135 135 GLN CA C 13 57.550 0.05 . 1 . . . . 135 Q CA . 26977 1 779 . 1 1 135 135 GLN CB C 13 24.495 0.05 . 1 . . . . 135 Q CB . 26977 1 780 . 1 1 135 135 GLN N N 15 113.282 0.03 . 1 . . . . 135 Q N . 26977 1 781 . 1 1 136 136 LYS H H 1 7.123 0.01 . 1 . . . . 136 K HN . 26977 1 782 . 1 1 136 136 LYS CA C 13 54.299 0.05 . 1 . . . . 136 K CA . 26977 1 783 . 1 1 136 136 LYS CB C 13 37.964 0.05 . 1 . . . . 136 K CB . 26977 1 784 . 1 1 136 136 LYS N N 15 118.404 0.03 . 1 . . . . 136 K N . 26977 1 785 . 1 1 137 137 ALA HB1 H 1 0.555 0.01 . 1 . . . . 137 A HB . 26977 1 786 . 1 1 137 137 ALA HB2 H 1 0.555 0.01 . 1 . . . . 137 A HB . 26977 1 787 . 1 1 137 137 ALA HB3 H 1 0.555 0.01 . 1 . . . . 137 A HB . 26977 1 788 . 1 1 137 137 ALA C C 13 174.474 0.05 . 1 . . . . 137 A C . 26977 1 789 . 1 1 137 137 ALA CA C 13 49.776 0.05 . 1 . . . . 137 A CA . 26977 1 790 . 1 1 137 137 ALA CB C 13 20.672 0.05 . 1 . . . . 137 A CB . 26977 1 791 . 1 1 138 138 THR H H 1 9.614 0.01 . 1 . . . . 138 T HN . 26977 1 792 . 1 1 138 138 THR C C 13 173.789 0.05 . 1 . . . . 138 T C . 26977 1 793 . 1 1 138 138 THR CA C 13 61.675 0.05 . 1 . . . . 138 T CA . 26977 1 794 . 1 1 138 138 THR CB C 13 66.495 0.05 . 1 . . . . 138 T CB . 26977 1 795 . 1 1 138 138 THR N N 15 122.738 0.03 . 1 . . . . 138 T N . 26977 1 796 . 1 1 139 139 LEU H H 1 8.908 0.01 . 1 . . . . 139 L HN . 26977 1 797 . 1 1 139 139 LEU HD11 H 1 0.482 0.01 . 2 . . . . 139 L HD1 . 26977 1 798 . 1 1 139 139 LEU HD12 H 1 0.482 0.01 . 2 . . . . 139 L HD1 . 26977 1 799 . 1 1 139 139 LEU HD13 H 1 0.482 0.01 . 2 . . . . 139 L HD1 . 26977 1 800 . 1 1 139 139 LEU HD21 H 1 0.237 0.01 . 2 . . . . 139 L HD2 . 26977 1 801 . 1 1 139 139 LEU HD22 H 1 0.237 0.01 . 2 . . . . 139 L HD2 . 26977 1 802 . 1 1 139 139 LEU HD23 H 1 0.237 0.01 . 2 . . . . 139 L HD2 . 26977 1 803 . 1 1 139 139 LEU C C 13 176.296 0.05 . 1 . . . . 139 L C . 26977 1 804 . 1 1 139 139 LEU CA C 13 55.090 0.05 . 1 . . . . 139 L CA . 26977 1 805 . 1 1 139 139 LEU CB C 13 43.202 0.05 . 1 . . . . 139 L CB . 26977 1 806 . 1 1 139 139 LEU CG C 13 29.121 0.05 . 1 . . . . 139 L CG . 26977 1 807 . 1 1 139 139 LEU CD1 C 13 26.936 0.05 . 1 . . . . 139 L CD1 . 26977 1 808 . 1 1 139 139 LEU CD2 C 13 24.477 0.05 . 1 . . . . 139 L CD2 . 26977 1 809 . 1 1 139 139 LEU N N 15 126.781 0.03 . 1 . . . . 139 L N . 26977 1 810 . 1 1 140 140 VAL H H 1 7.830 0.01 . 1 . . . . 140 V HN . 26977 1 811 . 1 1 140 140 VAL HG11 H 1 0.970 0.01 . 2 . . . . 140 V HG1 . 26977 1 812 . 1 1 140 140 VAL HG12 H 1 0.970 0.01 . 2 . . . . 140 V HG1 . 26977 1 813 . 1 1 140 140 VAL HG13 H 1 0.970 0.01 . 2 . . . . 140 V HG1 . 26977 1 814 . 1 1 140 140 VAL HG21 H 1 0.792 0.01 . 2 . . . . 140 V HG2 . 26977 1 815 . 1 1 140 140 VAL HG22 H 1 0.792 0.01 . 2 . . . . 140 V HG2 . 26977 1 816 . 1 1 140 140 VAL HG23 H 1 0.792 0.01 . 2 . . . . 140 V HG2 . 26977 1 817 . 1 1 140 140 VAL C C 13 173.447 0.05 . 1 . . . . 140 V C . 26977 1 818 . 1 1 140 140 VAL CA C 13 60.347 0.05 . 1 . . . . 140 V CA . 26977 1 819 . 1 1 140 140 VAL CB C 13 34.301 0.05 . 1 . . . . 140 V CB . 26977 1 820 . 1 1 140 140 VAL CG1 C 13 21.923 0.05 . 1 . . . . 140 V CG1 . 26977 1 821 . 1 1 140 140 VAL CG2 C 13 22.430 0.05 . 1 . . . . 140 V CG2 . 26977 1 822 . 1 1 140 140 VAL N N 15 117.738 0.03 . 1 . . . . 140 V N . 26977 1 823 . 1 1 141 141 CYS H H 1 9.675 0.01 . 1 . . . . 141 C HN . 26977 1 824 . 1 1 141 141 CYS C C 13 171.330 0.05 . 1 . . . . 141 C C . 26977 1 825 . 1 1 141 141 CYS CA C 13 52.472 0.05 . 1 . . . . 141 C CA . 26977 1 826 . 1 1 141 141 CYS CB C 13 42.959 0.05 . 1 . . . . 141 C CB . 26977 1 827 . 1 1 141 141 CYS N N 15 128.313 0.03 . 1 . . . . 141 C N . 26977 1 828 . 1 1 142 142 LEU H H 1 8.980 0.01 . 1 . . . . 142 L HN . 26977 1 829 . 1 1 142 142 LEU HD11 H 1 -0.049 0.01 . 2 . . . . 142 L HD1 . 26977 1 830 . 1 1 142 142 LEU HD12 H 1 -0.049 0.01 . 2 . . . . 142 L HD1 . 26977 1 831 . 1 1 142 142 LEU HD13 H 1 -0.049 0.01 . 2 . . . . 142 L HD1 . 26977 1 832 . 1 1 142 142 LEU HD21 H 1 0.042 0.01 . 2 . . . . 142 L HD2 . 26977 1 833 . 1 1 142 142 LEU HD22 H 1 0.042 0.01 . 2 . . . . 142 L HD2 . 26977 1 834 . 1 1 142 142 LEU HD23 H 1 0.042 0.01 . 2 . . . . 142 L HD2 . 26977 1 835 . 1 1 142 142 LEU C C 13 173.707 0.05 . 1 . . . . 142 L C . 26977 1 836 . 1 1 142 142 LEU CA C 13 52.915 0.05 . 1 . . . . 142 L CA . 26977 1 837 . 1 1 142 142 LEU CB C 13 45.554 0.05 . 1 . . . . 142 L CB . 26977 1 838 . 1 1 142 142 LEU CG C 13 26.180 0.05 . 1 . . . . 142 L CG . 26977 1 839 . 1 1 142 142 LEU CD1 C 13 21.895 0.05 . 1 . . . . 142 L CD1 . 26977 1 840 . 1 1 142 142 LEU CD2 C 13 24.889 0.05 . 1 . . . . 142 L CD2 . 26977 1 841 . 1 1 142 142 LEU N N 15 127.224 0.03 . 1 . . . . 142 L N . 26977 1 842 . 1 1 143 143 ALA H H 1 9.198 0.01 . 1 . . . . 143 A HN . 26977 1 843 . 1 1 143 143 ALA HB1 H 1 1.244 0.01 . 1 . . . . 143 A HB . 26977 1 844 . 1 1 143 143 ALA HB2 H 1 1.244 0.01 . 1 . . . . 143 A HB . 26977 1 845 . 1 1 143 143 ALA HB3 H 1 1.244 0.01 . 1 . . . . 143 A HB . 26977 1 846 . 1 1 143 143 ALA C C 13 175.745 0.05 . 1 . . . . 143 A C . 26977 1 847 . 1 1 143 143 ALA CA C 13 48.668 0.05 . 1 . . . . 143 A CA . 26977 1 848 . 1 1 143 143 ALA CB C 13 20.256 0.05 . 1 . . . . 143 A CB . 26977 1 849 . 1 1 143 143 ALA N N 15 130.651 0.03 . 1 . . . . 143 A N . 26977 1 850 . 1 1 144 144 ARG H H 1 8.970 0.01 . 1 . . . . 144 R HN . 26977 1 851 . 1 1 144 144 ARG C C 13 176.154 0.05 . 1 . . . . 144 R C . 26977 1 852 . 1 1 144 144 ARG CA C 13 55.079 0.05 . 1 . . . . 144 R CA . 26977 1 853 . 1 1 144 144 ARG CB C 13 34.172 0.05 . 1 . . . . 144 R CB . 26977 1 854 . 1 1 144 144 ARG N N 15 119.390 0.03 . 1 . . . . 144 R N . 26977 1 855 . 1 1 145 145 GLY H H 1 8.103 0.01 . 1 . . . . 145 G HN . 26977 1 856 . 1 1 145 145 GLY C C 13 174.226 0.05 . 1 . . . . 145 G C . 26977 1 857 . 1 1 145 145 GLY CA C 13 46.044 0.05 . 1 . . . . 145 G CA . 26977 1 858 . 1 1 145 145 GLY N N 15 108.995 0.03 . 1 . . . . 145 G N . 26977 1 859 . 1 1 146 146 PHE H H 1 7.242 0.01 . 1 . . . . 146 F HN . 26977 1 860 . 1 1 146 146 PHE C C 13 174.080 0.05 . 1 . . . . 146 F C . 26977 1 861 . 1 1 146 146 PHE CA C 13 53.159 0.05 . 1 . . . . 146 F CA . 26977 1 862 . 1 1 146 146 PHE CB C 13 40.985 0.05 . 1 . . . . 146 F CB . 26977 1 863 . 1 1 146 146 PHE N N 15 112.273 0.03 . 1 . . . . 146 F N . 26977 1 864 . 1 1 147 147 PHE H H 1 9.201 0.01 . 1 . . . . 147 F HN . 26977 1 865 . 1 1 147 147 PHE CA C 13 57.411 0.05 . 1 . . . . 147 F CA . 26977 1 866 . 1 1 147 147 PHE CB C 13 41.490 0.05 . 1 . . . . 147 F CB . 26977 1 867 . 1 1 147 147 PHE N N 15 119.936 0.03 . 1 . . . . 147 F N . 26977 1 868 . 1 1 148 148 PRO C C 13 173.964 0.05 . 1 . . . . 148 P C . 26977 1 869 . 1 1 148 148 PRO CA C 13 62.378 0.05 . 1 . . . . 148 P CA . 26977 1 870 . 1 1 148 148 PRO CB C 13 32.298 0.05 . 1 . . . . 148 P CB . 26977 1 871 . 1 1 149 149 ASP H H 1 8.500 0.01 . 1 . . . . 149 D HN . 26977 1 872 . 1 1 149 149 ASP C C 13 175.470 0.05 . 1 . . . . 149 D C . 26977 1 873 . 1 1 149 149 ASP CA C 13 53.391 0.05 . 1 . . . . 149 D CA . 26977 1 874 . 1 1 149 149 ASP N N 15 116.155 0.03 . 1 . . . . 149 D N . 26977 1 875 . 1 1 150 150 HIS H H 1 7.506 0.01 . 1 . . . . 150 H HN . 26977 1 876 . 1 1 150 150 HIS C C 13 173.146 0.05 . 1 . . . . 150 H C . 26977 1 877 . 1 1 150 150 HIS CA C 13 52.096 0.05 . 1 . . . . 150 H CA . 26977 1 878 . 1 1 150 150 HIS CB C 13 28.672 0.05 . 1 . . . . 150 H CB . 26977 1 879 . 1 1 150 150 HIS N N 15 123.545 0.03 . 1 . . . . 150 H N . 26977 1 880 . 1 1 151 151 VAL H H 1 7.393 0.01 . 1 . . . . 151 V HN . 26977 1 881 . 1 1 151 151 VAL HG11 H 1 0.228 0.01 . 2 . . . . 151 V HG1 . 26977 1 882 . 1 1 151 151 VAL HG12 H 1 0.228 0.01 . 2 . . . . 151 V HG1 . 26977 1 883 . 1 1 151 151 VAL HG13 H 1 0.228 0.01 . 2 . . . . 151 V HG1 . 26977 1 884 . 1 1 151 151 VAL HG21 H 1 0.270 0.01 . 2 . . . . 151 V HG2 . 26977 1 885 . 1 1 151 151 VAL HG22 H 1 0.270 0.01 . 2 . . . . 151 V HG2 . 26977 1 886 . 1 1 151 151 VAL HG23 H 1 0.270 0.01 . 2 . . . . 151 V HG2 . 26977 1 887 . 1 1 151 151 VAL C C 13 174.833 0.05 . 1 . . . . 151 V C . 26977 1 888 . 1 1 151 151 VAL CA C 13 58.080 0.05 . 1 . . . . 151 V CA . 26977 1 889 . 1 1 151 151 VAL CB C 13 35.073 0.05 . 1 . . . . 151 V CB . 26977 1 890 . 1 1 151 151 VAL CG1 C 13 22.127 0.05 . 1 . . . . 151 V CG1 . 26977 1 891 . 1 1 151 151 VAL CG2 C 13 20.350 0.05 . 1 . . . . 151 V CG2 . 26977 1 892 . 1 1 151 151 VAL N N 15 113.308 0.03 . 1 . . . . 151 V N . 26977 1 893 . 1 1 152 152 GLU H H 1 8.247 0.01 . 1 . . . . 152 E HN . 26977 1 894 . 1 1 152 152 GLU C C 13 174.415 0.05 . 1 . . . . 152 E C . 26977 1 895 . 1 1 152 152 GLU CA C 13 54.679 0.05 . 1 . . . . 152 E CA . 26977 1 896 . 1 1 152 152 GLU CB C 13 33.255 0.05 . 1 . . . . 152 E CB . 26977 1 897 . 1 1 152 152 GLU N N 15 120.104 0.03 . 1 . . . . 152 E N . 26977 1 898 . 1 1 153 153 LEU H H 1 9.340 0.01 . 1 . . . . 153 L HN . 26977 1 899 . 1 1 153 153 LEU HD11 H 1 0.537 0.01 . 2 . . . . 153 L HD1 . 26977 1 900 . 1 1 153 153 LEU HD12 H 1 0.537 0.01 . 2 . . . . 153 L HD1 . 26977 1 901 . 1 1 153 153 LEU HD13 H 1 0.537 0.01 . 2 . . . . 153 L HD1 . 26977 1 902 . 1 1 153 153 LEU HD21 H 1 0.423 0.01 . 2 . . . . 153 L HD2 . 26977 1 903 . 1 1 153 153 LEU HD22 H 1 0.423 0.01 . 2 . . . . 153 L HD2 . 26977 1 904 . 1 1 153 153 LEU HD23 H 1 0.423 0.01 . 2 . . . . 153 L HD2 . 26977 1 905 . 1 1 153 153 LEU C C 13 175.699 0.05 . 1 . . . . 153 L C . 26977 1 906 . 1 1 153 153 LEU CA C 13 54.686 0.05 . 1 . . . . 153 L CA . 26977 1 907 . 1 1 153 153 LEU CB C 13 44.803 0.05 . 1 . . . . 153 L CB . 26977 1 908 . 1 1 153 153 LEU CG C 13 27.269 0.05 . 1 . . . . 153 L CG . 26977 1 909 . 1 1 153 153 LEU CD1 C 13 27.024 0.05 . 1 . . . . 153 L CD1 . 26977 1 910 . 1 1 153 153 LEU CD2 C 13 23.736 0.05 . 1 . . . . 153 L CD2 . 26977 1 911 . 1 1 153 153 LEU N N 15 131.096 0.03 . 1 . . . . 153 L N . 26977 1 912 . 1 1 154 154 SER H H 1 9.762 0.01 . 1 . . . . 154 S HN . 26977 1 913 . 1 1 154 154 SER C C 13 171.383 0.05 . 1 . . . . 154 S C . 26977 1 914 . 1 1 154 154 SER CA C 13 56.638 0.05 . 1 . . . . 154 S CA . 26977 1 915 . 1 1 154 154 SER CB C 13 66.188 0.05 . 1 . . . . 154 S CB . 26977 1 916 . 1 1 154 154 SER N N 15 122.433 0.03 . 1 . . . . 154 S N . 26977 1 917 . 1 1 155 155 TRP H H 1 8.888 0.01 . 1 . . . . 155 W HN . 26977 1 918 . 1 1 155 155 TRP C C 13 175.363 0.05 . 1 . . . . 155 W C . 26977 1 919 . 1 1 155 155 TRP CA C 13 56.179 0.05 . 1 . . . . 155 W CA . 26977 1 920 . 1 1 155 155 TRP CB C 13 32.109 0.05 . 1 . . . . 155 W CB . 26977 1 921 . 1 1 155 155 TRP N N 15 120.901 0.03 . 1 . . . . 155 W N . 26977 1 922 . 1 1 156 156 TRP H H 1 9.424 0.01 . 1 . . . . 156 W HN . 26977 1 923 . 1 1 156 156 TRP C C 13 176.834 0.05 . 1 . . . . 156 W C . 26977 1 924 . 1 1 156 156 TRP CA C 13 54.978 0.05 . 1 . . . . 156 W CA . 26977 1 925 . 1 1 156 156 TRP CB C 13 29.755 0.05 . 1 . . . . 156 W CB . 26977 1 926 . 1 1 156 156 TRP N N 15 121.135 0.03 . 1 . . . . 156 W N . 26977 1 927 . 1 1 157 157 VAL H H 1 9.207 0.01 . 1 . . . . 157 V HN . 26977 1 928 . 1 1 157 157 VAL HG11 H 1 0.842 0.01 . 2 . . . . 157 V HG1 . 26977 1 929 . 1 1 157 157 VAL HG12 H 1 0.842 0.01 . 2 . . . . 157 V HG1 . 26977 1 930 . 1 1 157 157 VAL HG13 H 1 0.842 0.01 . 2 . . . . 157 V HG1 . 26977 1 931 . 1 1 157 157 VAL HG21 H 1 1.003 0.01 . 2 . . . . 157 V HG2 . 26977 1 932 . 1 1 157 157 VAL HG22 H 1 1.003 0.01 . 2 . . . . 157 V HG2 . 26977 1 933 . 1 1 157 157 VAL HG23 H 1 1.003 0.01 . 2 . . . . 157 V HG2 . 26977 1 934 . 1 1 157 157 VAL C C 13 176.532 0.05 . 1 . . . . 157 V C . 26977 1 935 . 1 1 157 157 VAL CA C 13 59.970 0.05 . 1 . . . . 157 V CA . 26977 1 936 . 1 1 157 157 VAL CB C 13 32.516 0.05 . 1 . . . . 157 V CB . 26977 1 937 . 1 1 157 157 VAL CG1 C 13 20.923 0.05 . 1 . . . . 157 V CG1 . 26977 1 938 . 1 1 157 157 VAL CG2 C 13 22.063 0.05 . 1 . . . . 157 V CG2 . 26977 1 939 . 1 1 157 157 VAL N N 15 127.273 0.03 . 1 . . . . 157 V N . 26977 1 940 . 1 1 158 158 ASN H H 1 9.719 0.01 . 1 . . . . 158 N HN . 26977 1 941 . 1 1 158 158 ASN C C 13 175.890 0.05 . 1 . . . . 158 N C . 26977 1 942 . 1 1 158 158 ASN CA C 13 54.440 0.05 . 1 . . . . 158 N CA . 26977 1 943 . 1 1 158 158 ASN CB C 13 36.288 0.05 . 1 . . . . 158 N CB . 26977 1 944 . 1 1 158 158 ASN N N 15 128.904 0.03 . 1 . . . . 158 N N . 26977 1 945 . 1 1 159 159 GLY H H 1 8.982 0.01 . 1 . . . . 159 G HN . 26977 1 946 . 1 1 159 159 GLY C C 13 173.637 0.05 . 1 . . . . 159 G C . 26977 1 947 . 1 1 159 159 GLY CA C 13 45.301 0.05 . 1 . . . . 159 G CA . 26977 1 948 . 1 1 159 159 GLY N N 15 102.558 0.03 . 1 . . . . 159 G N . 26977 1 949 . 1 1 160 160 LYS H H 1 7.774 0.01 . 1 . . . . 160 K HN . 26977 1 950 . 1 1 160 160 LYS C C 13 174.133 0.05 . 1 . . . . 160 K C . 26977 1 951 . 1 1 160 160 LYS CA C 13 54.026 0.05 . 1 . . . . 160 K CA . 26977 1 952 . 1 1 160 160 LYS CB C 13 34.283 0.05 . 1 . . . . 160 K CB . 26977 1 953 . 1 1 160 160 LYS N N 15 121.051 0.03 . 1 . . . . 160 K N . 26977 1 954 . 1 1 161 161 GLU H H 1 8.105 0.01 . 1 . . . . 161 E HN . 26977 1 955 . 1 1 161 161 GLU C C 13 176.816 0.05 . 1 . . . . 161 E C . 26977 1 956 . 1 1 161 161 GLU CA C 13 55.957 0.05 . 1 . . . . 161 E CA . 26977 1 957 . 1 1 161 161 GLU CB C 13 27.922 0.05 . 1 . . . . 161 E CB . 26977 1 958 . 1 1 161 161 GLU N N 15 127.735 0.03 . 1 . . . . 161 E N . 26977 1 959 . 1 1 162 162 VAL H H 1 8.021 0.01 . 1 . . . . 162 V HN . 26977 1 960 . 1 1 162 162 VAL HG11 H 1 0.876 0.01 . 2 . . . . 162 V HG1 . 26977 1 961 . 1 1 162 162 VAL HG12 H 1 0.876 0.01 . 2 . . . . 162 V HG1 . 26977 1 962 . 1 1 162 162 VAL HG13 H 1 0.876 0.01 . 2 . . . . 162 V HG1 . 26977 1 963 . 1 1 162 162 VAL HG21 H 1 0.796 0.01 . 2 . . . . 162 V HG2 . 26977 1 964 . 1 1 162 162 VAL HG22 H 1 0.796 0.01 . 2 . . . . 162 V HG2 . 26977 1 965 . 1 1 162 162 VAL HG23 H 1 0.796 0.01 . 2 . . . . 162 V HG2 . 26977 1 966 . 1 1 162 162 VAL CA C 13 60.360 0.05 . 1 . . . . 162 V CA . 26977 1 967 . 1 1 162 162 VAL CB C 13 33.781 0.05 . 1 . . . . 162 V CB . 26977 1 968 . 1 1 162 162 VAL CG1 C 13 22.436 0.05 . 1 . . . . 162 V CG1 . 26977 1 969 . 1 1 162 162 VAL CG2 C 13 20.753 0.05 . 1 . . . . 162 V CG2 . 26977 1 970 . 1 1 162 162 VAL N N 15 123.319 0.03 . 1 . . . . 162 V N . 26977 1 971 . 1 1 165 165 GLY C C 13 171.024 0.05 . 1 . . . . 165 G C . 26977 1 972 . 1 1 165 165 GLY CA C 13 45.912 0.05 . 1 . . . . 165 G CA . 26977 1 973 . 1 1 166 166 VAL H H 1 6.948 0.01 . 1 . . . . 166 V HN . 26977 1 974 . 1 1 166 166 VAL HG11 H 1 0.915 0.01 . 2 . . . . 166 V HG1 . 26977 1 975 . 1 1 166 166 VAL HG12 H 1 0.915 0.01 . 2 . . . . 166 V HG1 . 26977 1 976 . 1 1 166 166 VAL HG13 H 1 0.915 0.01 . 2 . . . . 166 V HG1 . 26977 1 977 . 1 1 166 166 VAL HG21 H 1 0.561 0.01 . 2 . . . . 166 V HG2 . 26977 1 978 . 1 1 166 166 VAL HG22 H 1 0.561 0.01 . 2 . . . . 166 V HG2 . 26977 1 979 . 1 1 166 166 VAL HG23 H 1 0.561 0.01 . 2 . . . . 166 V HG2 . 26977 1 980 . 1 1 166 166 VAL C C 13 177.787 0.05 . 1 . . . . 166 V C . 26977 1 981 . 1 1 166 166 VAL CA C 13 59.258 0.05 . 1 . . . . 166 V CA . 26977 1 982 . 1 1 166 166 VAL CB C 13 34.838 0.05 . 1 . . . . 166 V CB . 26977 1 983 . 1 1 166 166 VAL CG1 C 13 22.188 0.05 . 1 . . . . 166 V CG1 . 26977 1 984 . 1 1 166 166 VAL CG2 C 13 21.609 0.05 . 1 . . . . 166 V CG2 . 26977 1 985 . 1 1 166 166 VAL N N 15 115.029 0.03 . 1 . . . . 166 V N . 26977 1 986 . 1 1 167 167 CYS H H 1 8.721 0.01 . 1 . . . . 167 C HN . 26977 1 987 . 1 1 167 167 CYS C C 13 173.058 0.05 . 1 . . . . 167 C C . 26977 1 988 . 1 1 167 167 CYS CA C 13 59.581 0.05 . 1 . . . . 167 C CA . 26977 1 989 . 1 1 167 167 CYS CB C 13 40.196 0.05 . 1 . . . . 167 C CB . 26977 1 990 . 1 1 167 167 CYS N N 15 126.215 0.03 . 1 . . . . 167 C N . 26977 1 991 . 1 1 168 168 THR H H 1 9.360 0.01 . 1 . . . . 168 T HN . 26977 1 992 . 1 1 168 168 THR C C 13 172.568 0.05 . 1 . . . . 168 T C . 26977 1 993 . 1 1 168 168 THR CA C 13 60.524 0.05 . 1 . . . . 168 T CA . 26977 1 994 . 1 1 168 168 THR CB C 13 69.930 0.05 . 1 . . . . 168 T CB . 26977 1 995 . 1 1 168 168 THR N N 15 130.729 0.03 . 1 . . . . 168 T N . 26977 1 996 . 1 1 169 169 ASP H H 1 8.555 0.01 . 1 . . . . 169 D HN . 26977 1 997 . 1 1 169 169 ASP CA C 13 54.326 0.05 . 1 . . . . 169 D CA . 26977 1 998 . 1 1 169 169 ASP CB C 13 41.198 0.05 . 1 . . . . 169 D CB . 26977 1 999 . 1 1 169 169 ASP N N 15 129.463 0.03 . 1 . . . . 169 D N . 26977 1 1000 . 1 1 170 170 PRO C C 13 176.249 0.05 . 1 . . . . 170 P C . 26977 1 1001 . 1 1 170 170 PRO CA C 13 63.619 0.05 . 1 . . . . 170 P CA . 26977 1 1002 . 1 1 171 171 GLN H H 1 7.412 0.01 . 1 . . . . 171 Q HN . 26977 1 1003 . 1 1 171 171 GLN C C 13 173.578 0.05 . 1 . . . . 171 Q C . 26977 1 1004 . 1 1 171 171 GLN CA C 13 53.584 0.05 . 1 . . . . 171 Q CA . 26977 1 1005 . 1 1 171 171 GLN CB C 13 31.060 0.05 . 1 . . . . 171 Q CB . 26977 1 1006 . 1 1 171 171 GLN N N 15 114.578 0.03 . 1 . . . . 171 Q N . 26977 1 1007 . 1 1 172 172 ALA H H 1 8.832 0.01 . 1 . . . . 172 A HN . 26977 1 1008 . 1 1 172 172 ALA HB1 H 1 1.603 0.01 . 1 . . . . 172 A HB . 26977 1 1009 . 1 1 172 172 ALA HB2 H 1 1.603 0.01 . 1 . . . . 172 A HB . 26977 1 1010 . 1 1 172 172 ALA HB3 H 1 1.603 0.01 . 1 . . . . 172 A HB . 26977 1 1011 . 1 1 172 172 ALA C C 13 176.695 0.05 . 1 . . . . 172 A C . 26977 1 1012 . 1 1 172 172 ALA CA C 13 51.864 0.05 . 1 . . . . 172 A CA . 26977 1 1013 . 1 1 172 172 ALA CB C 13 19.156 0.05 . 1 . . . . 172 A CB . 26977 1 1014 . 1 1 172 172 ALA N N 15 124.120 0.03 . 1 . . . . 172 A N . 26977 1 1015 . 1 1 173 173 TYR H H 1 9.474 0.01 . 1 . . . . 173 Y HN . 26977 1 1016 . 1 1 173 173 TYR C C 13 175.570 0.05 . 1 . . . . 173 Y C . 26977 1 1017 . 1 1 173 173 TYR CA C 13 56.745 0.05 . 1 . . . . 173 Y CA . 26977 1 1018 . 1 1 173 173 TYR CB C 13 39.922 0.05 . 1 . . . . 173 Y CB . 26977 1 1019 . 1 1 173 173 TYR N N 15 122.971 0.03 . 1 . . . . 173 Y N . 26977 1 1020 . 1 1 174 174 LYS H H 1 8.782 0.01 . 1 . . . . 174 K HN . 26977 1 1021 . 1 1 174 174 LYS C C 13 175.904 0.05 . 1 . . . . 174 K C . 26977 1 1022 . 1 1 174 174 LYS CB C 13 31.250 0.05 . 1 . . . . 174 K CB . 26977 1 1023 . 1 1 174 174 LYS N N 15 125.293 0.03 . 1 . . . . 174 K N . 26977 1 1024 . 1 1 175 175 GLU H H 1 8.583 0.01 . 1 . . . . 175 E HN . 26977 1 1025 . 1 1 175 175 GLU C C 13 176.521 0.05 . 1 . . . . 175 E C . 26977 1 1026 . 1 1 175 175 GLU CA C 13 57.329 0.05 . 1 . . . . 175 E CA . 26977 1 1027 . 1 1 175 175 GLU CB C 13 30.761 0.05 . 1 . . . . 175 E CB . 26977 1 1028 . 1 1 175 175 GLU N N 15 127.976 0.03 . 1 . . . . 175 E N . 26977 1 1029 . 1 1 176 176 SER H H 1 8.117 0.01 . 1 . . . . 176 S HN . 26977 1 1030 . 1 1 176 176 SER CA C 13 56.812 0.05 . 1 . . . . 176 S CA . 26977 1 1031 . 1 1 176 176 SER CB C 13 62.844 0.05 . 1 . . . . 176 S CB . 26977 1 1032 . 1 1 176 176 SER N N 15 112.384 0.03 . 1 . . . . 176 S N . 26977 1 1033 . 1 1 177 177 ASN C C 13 174.805 0.05 . 1 . . . . 177 N C . 26977 1 1034 . 1 1 178 178 TYR H H 1 7.869 0.01 . 1 . . . . 178 Y HN . 26977 1 1035 . 1 1 178 178 TYR C C 13 174.007 0.05 . 1 . . . . 178 Y C . 26977 1 1036 . 1 1 178 178 TYR CA C 13 55.075 0.05 . 1 . . . . 178 Y CA . 26977 1 1037 . 1 1 178 178 TYR CB C 13 37.242 0.05 . 1 . . . . 178 Y CB . 26977 1 1038 . 1 1 178 178 TYR N N 15 113.303 0.03 . 1 . . . . 178 Y N . 26977 1 1039 . 1 1 179 179 SER H H 1 6.879 0.01 . 1 . . . . 179 S HN . 26977 1 1040 . 1 1 179 179 SER C C 13 172.348 0.05 . 1 . . . . 179 S C . 26977 1 1041 . 1 1 179 179 SER CA C 13 58.443 0.05 . 1 . . . . 179 S CA . 26977 1 1042 . 1 1 179 179 SER CB C 13 63.945 0.05 . 1 . . . . 179 S CB . 26977 1 1043 . 1 1 179 179 SER N N 15 112.362 0.03 . 1 . . . . 179 S N . 26977 1 1044 . 1 1 180 180 TYR H H 1 8.749 0.01 . 1 . . . . 180 Y HN . 26977 1 1045 . 1 1 180 180 TYR C C 13 172.862 0.05 . 1 . . . . 180 Y C . 26977 1 1046 . 1 1 180 180 TYR CA C 13 56.839 0.05 . 1 . . . . 180 Y CA . 26977 1 1047 . 1 1 180 180 TYR CB C 13 42.432 0.05 . 1 . . . . 180 Y CB . 26977 1 1048 . 1 1 180 180 TYR N N 15 126.743 0.03 . 1 . . . . 180 Y N . 26977 1 1049 . 1 1 181 181 ALA H H 1 9.023 0.01 . 1 . . . . 181 A HN . 26977 1 1050 . 1 1 181 181 ALA HB1 H 1 1.395 0.01 . 1 . . . . 181 A HB . 26977 1 1051 . 1 1 181 181 ALA HB2 H 1 1.395 0.01 . 1 . . . . 181 A HB . 26977 1 1052 . 1 1 181 181 ALA HB3 H 1 1.395 0.01 . 1 . . . . 181 A HB . 26977 1 1053 . 1 1 181 181 ALA C C 13 175.785 0.05 . 1 . . . . 181 A C . 26977 1 1054 . 1 1 181 181 ALA CA C 13 50.305 0.05 . 1 . . . . 181 A CA . 26977 1 1055 . 1 1 181 181 ALA CB C 13 23.731 0.05 . 1 . . . . 181 A CB . 26977 1 1056 . 1 1 181 181 ALA N N 15 118.278 0.03 . 1 . . . . 181 A N . 26977 1 1057 . 1 1 182 182 LEU H H 1 9.407 0.01 . 1 . . . . 182 L HN . 26977 1 1058 . 1 1 182 182 LEU HD11 H 1 1.080 0.01 . 2 . . . . 182 L HD1 . 26977 1 1059 . 1 1 182 182 LEU HD12 H 1 1.080 0.01 . 2 . . . . 182 L HD1 . 26977 1 1060 . 1 1 182 182 LEU HD13 H 1 1.080 0.01 . 2 . . . . 182 L HD1 . 26977 1 1061 . 1 1 182 182 LEU HD21 H 1 0.796 0.01 . 2 . . . . 182 L HD2 . 26977 1 1062 . 1 1 182 182 LEU HD22 H 1 0.796 0.01 . 2 . . . . 182 L HD2 . 26977 1 1063 . 1 1 182 182 LEU HD23 H 1 0.796 0.01 . 2 . . . . 182 L HD2 . 26977 1 1064 . 1 1 182 182 LEU C C 13 172.897 0.05 . 1 . . . . 182 L C . 26977 1 1065 . 1 1 182 182 LEU CA C 13 55.589 0.05 . 1 . . . . 182 L CA . 26977 1 1066 . 1 1 182 182 LEU CB C 13 47.347 0.05 . 1 . . . . 182 L CB . 26977 1 1067 . 1 1 182 182 LEU CG C 13 26.255 0.05 . 1 . . . . 182 L CG . 26977 1 1068 . 1 1 182 182 LEU CD1 C 13 24.729 0.05 . 1 . . . . 182 L CD1 . 26977 1 1069 . 1 1 182 182 LEU CD2 C 13 26.555 0.05 . 1 . . . . 182 L CD2 . 26977 1 1070 . 1 1 182 182 LEU N N 15 121.719 0.03 . 1 . . . . 182 L N . 26977 1 1071 . 1 1 183 183 SER H H 1 9.667 0.01 . 1 . . . . 183 S HN . 26977 1 1072 . 1 1 183 183 SER C C 13 172.143 0.05 . 1 . . . . 183 S C . 26977 1 1073 . 1 1 183 183 SER CA C 13 56.289 0.05 . 1 . . . . 183 S CA . 26977 1 1074 . 1 1 183 183 SER CB C 13 69.404 0.05 . 1 . . . . 183 S CB . 26977 1 1075 . 1 1 183 183 SER N N 15 123.983 0.03 . 1 . . . . 183 S N . 26977 1 1076 . 1 1 184 184 SER H H 1 8.683 0.01 . 1 . . . . 184 S HN . 26977 1 1077 . 1 1 184 184 SER C C 13 172.859 0.05 . 1 . . . . 184 S C . 26977 1 1078 . 1 1 184 184 SER CA C 13 56.118 0.05 . 1 . . . . 184 S CA . 26977 1 1079 . 1 1 184 184 SER CB C 13 63.829 0.05 . 1 . . . . 184 S CB . 26977 1 1080 . 1 1 184 184 SER N N 15 110.985 0.03 . 1 . . . . 184 S N . 26977 1 1081 . 1 1 185 185 ARG H H 1 8.638 0.01 . 1 . . . . 185 R HN . 26977 1 1082 . 1 1 185 185 ARG C C 13 170.620 0.05 . 1 . . . . 185 R C . 26977 1 1083 . 1 1 185 185 ARG CA C 13 52.932 0.05 . 1 . . . . 185 R CA . 26977 1 1084 . 1 1 185 185 ARG CB C 13 32.961 0.05 . 1 . . . . 185 R CB . 26977 1 1085 . 1 1 185 185 ARG N N 15 126.038 0.03 . 1 . . . . 185 R N . 26977 1 1086 . 1 1 186 186 LEU H H 1 7.944 0.01 . 1 . . . . 186 L HN . 26977 1 1087 . 1 1 186 186 LEU HD11 H 1 0.411 0.01 . 2 . . . . 186 L HD1 . 26977 1 1088 . 1 1 186 186 LEU HD12 H 1 0.411 0.01 . 2 . . . . 186 L HD1 . 26977 1 1089 . 1 1 186 186 LEU HD13 H 1 0.411 0.01 . 2 . . . . 186 L HD1 . 26977 1 1090 . 1 1 186 186 LEU HD21 H 1 0.294 0.01 . 2 . . . . 186 L HD2 . 26977 1 1091 . 1 1 186 186 LEU HD22 H 1 0.294 0.01 . 2 . . . . 186 L HD2 . 26977 1 1092 . 1 1 186 186 LEU HD23 H 1 0.294 0.01 . 2 . . . . 186 L HD2 . 26977 1 1093 . 1 1 186 186 LEU C C 13 173.070 0.05 . 1 . . . . 186 L C . 26977 1 1094 . 1 1 186 186 LEU CA C 13 52.156 0.05 . 1 . . . . 186 L CA . 26977 1 1095 . 1 1 186 186 LEU CB C 13 41.146 0.05 . 1 . . . . 186 L CB . 26977 1 1096 . 1 1 186 186 LEU CG C 13 26.452 0.05 . 1 . . . . 186 L CG . 26977 1 1097 . 1 1 186 186 LEU CD1 C 13 27.037 0.05 . 1 . . . . 186 L CD1 . 26977 1 1098 . 1 1 186 186 LEU CD2 C 13 23.199 0.05 . 1 . . . . 186 L CD2 . 26977 1 1099 . 1 1 186 186 LEU N N 15 124.331 0.03 . 1 . . . . 186 L N . 26977 1 1100 . 1 1 187 187 ARG H H 1 8.743 0.01 . 1 . . . . 187 R HN . 26977 1 1101 . 1 1 187 187 ARG C C 13 174.386 0.05 . 1 . . . . 187 R C . 26977 1 1102 . 1 1 187 187 ARG CA C 13 53.924 0.05 . 1 . . . . 187 R CA . 26977 1 1103 . 1 1 187 187 ARG CB C 13 35.181 0.05 . 1 . . . . 187 R CB . 26977 1 1104 . 1 1 187 187 ARG N N 15 128.624 0.03 . 1 . . . . 187 R N . 26977 1 1105 . 1 1 188 188 VAL H H 1 8.451 0.01 . 1 . . . . 188 V HN . 26977 1 1106 . 1 1 188 188 VAL HG11 H 1 0.825 0.01 . 2 . . . . 188 V HG1 . 26977 1 1107 . 1 1 188 188 VAL HG12 H 1 0.825 0.01 . 2 . . . . 188 V HG1 . 26977 1 1108 . 1 1 188 188 VAL HG13 H 1 0.825 0.01 . 2 . . . . 188 V HG1 . 26977 1 1109 . 1 1 188 188 VAL HG21 H 1 1.091 0.01 . 2 . . . . 188 V HG2 . 26977 1 1110 . 1 1 188 188 VAL HG22 H 1 1.091 0.01 . 2 . . . . 188 V HG2 . 26977 1 1111 . 1 1 188 188 VAL HG23 H 1 1.091 0.01 . 2 . . . . 188 V HG2 . 26977 1 1112 . 1 1 188 188 VAL C C 13 175.124 0.05 . 1 . . . . 188 V C . 26977 1 1113 . 1 1 188 188 VAL CA C 13 57.753 0.05 . 1 . . . . 188 V CA . 26977 1 1114 . 1 1 188 188 VAL CB C 13 35.109 0.05 . 1 . . . . 188 V CB . 26977 1 1115 . 1 1 188 188 VAL CG1 C 13 21.350 0.05 . 1 . . . . 188 V CG1 . 26977 1 1116 . 1 1 188 188 VAL CG2 C 13 18.011 0.05 . 1 . . . . 188 V CG2 . 26977 1 1117 . 1 1 188 188 VAL N N 15 117.367 0.03 . 1 . . . . 188 V N . 26977 1 1118 . 1 1 189 189 SER H H 1 8.682 0.01 . 1 . . . . 189 S HN . 26977 1 1119 . 1 1 189 189 SER C C 13 175.162 0.05 . 1 . . . . 189 S C . 26977 1 1120 . 1 1 189 189 SER CA C 13 58.236 0.05 . 1 . . . . 189 S CA . 26977 1 1121 . 1 1 189 189 SER CB C 13 63.335 0.05 . 1 . . . . 189 S CB . 26977 1 1122 . 1 1 189 189 SER N N 15 116.170 0.03 . 1 . . . . 189 S N . 26977 1 1123 . 1 1 190 190 ALA H H 1 7.853 0.01 . 1 . . . . 190 A HN . 26977 1 1124 . 1 1 190 190 ALA HB1 H 1 1.233 0.01 . 1 . . . . 190 A HB . 26977 1 1125 . 1 1 190 190 ALA HB2 H 1 1.233 0.01 . 1 . . . . 190 A HB . 26977 1 1126 . 1 1 190 190 ALA HB3 H 1 1.233 0.01 . 1 . . . . 190 A HB . 26977 1 1127 . 1 1 190 190 ALA C C 13 178.110 0.05 . 1 . . . . 190 A C . 26977 1 1128 . 1 1 190 190 ALA CA C 13 55.280 0.05 . 1 . . . . 190 A CA . 26977 1 1129 . 1 1 190 190 ALA CB C 13 17.862 0.05 . 1 . . . . 190 A CB . 26977 1 1130 . 1 1 190 190 ALA N N 15 125.175 0.03 . 1 . . . . 190 A N . 26977 1 1131 . 1 1 191 191 THR H H 1 7.969 0.01 . 1 . . . . 191 T HN . 26977 1 1132 . 1 1 191 191 THR C C 13 175.519 0.05 . 1 . . . . 191 T C . 26977 1 1133 . 1 1 191 191 THR CA C 13 64.753 0.05 . 1 . . . . 191 T CA . 26977 1 1134 . 1 1 191 191 THR CB C 13 68.341 0.05 . 1 . . . . 191 T CB . 26977 1 1135 . 1 1 191 191 THR N N 15 108.436 0.03 . 1 . . . . 191 T N . 26977 1 1136 . 1 1 192 192 PHE H H 1 7.735 0.01 . 1 . . . . 192 F HN . 26977 1 1137 . 1 1 192 192 PHE C C 13 178.184 0.05 . 1 . . . . 192 F C . 26977 1 1138 . 1 1 192 192 PHE CA C 13 61.073 0.05 . 1 . . . . 192 F CA . 26977 1 1139 . 1 1 192 192 PHE CB C 13 40.018 0.05 . 1 . . . . 192 F CB . 26977 1 1140 . 1 1 192 192 PHE N N 15 124.588 0.03 . 1 . . . . 192 F N . 26977 1 1141 . 1 1 193 193 TRP H H 1 7.690 0.01 . 1 . . . . 193 W HN . 26977 1 1142 . 1 1 193 193 TRP C C 13 174.072 0.05 . 1 . . . . 193 W C . 26977 1 1143 . 1 1 193 193 TRP CA C 13 58.709 0.05 . 1 . . . . 193 W CA . 26977 1 1144 . 1 1 193 193 TRP CB C 13 29.328 0.05 . 1 . . . . 193 W CB . 26977 1 1145 . 1 1 193 193 TRP N N 15 119.347 0.03 . 1 . . . . 193 W N . 26977 1 1146 . 1 1 194 194 HIS H H 1 7.711 0.01 . 1 . . . . 194 H HN . 26977 1 1147 . 1 1 194 194 HIS C C 13 174.495 0.05 . 1 . . . . 194 H C . 26977 1 1148 . 1 1 194 194 HIS CA C 13 54.057 0.05 . 1 . . . . 194 H CA . 26977 1 1149 . 1 1 194 194 HIS CB C 13 28.700 0.05 . 1 . . . . 194 H CB . 26977 1 1150 . 1 1 194 194 HIS N N 15 112.189 0.03 . 1 . . . . 194 H N . 26977 1 1151 . 1 1 195 195 ASN H H 1 6.929 0.01 . 1 . . . . 195 N HN . 26977 1 1152 . 1 1 195 195 ASN CA C 13 49.341 0.05 . 1 . . . . 195 N CA . 26977 1 1153 . 1 1 195 195 ASN CB C 13 38.399 0.05 . 1 . . . . 195 N CB . 26977 1 1154 . 1 1 195 195 ASN N N 15 118.522 0.03 . 1 . . . . 195 N N . 26977 1 1155 . 1 1 196 196 PRO C C 13 176.582 0.05 . 1 . . . . 196 P C . 26977 1 1156 . 1 1 196 196 PRO CA C 13 62.665 0.05 . 1 . . . . 196 P CA . 26977 1 1157 . 1 1 197 197 ARG H H 1 7.694 0.01 . 1 . . . . 197 R HN . 26977 1 1158 . 1 1 197 197 ARG C C 13 176.829 0.05 . 1 . . . . 197 R C . 26977 1 1159 . 1 1 197 197 ARG CA C 13 55.502 0.05 . 1 . . . . 197 R CA . 26977 1 1160 . 1 1 197 197 ARG CB C 13 28.904 0.05 . 1 . . . . 197 R CB . 26977 1 1161 . 1 1 197 197 ARG N N 15 115.270 0.03 . 1 . . . . 197 R N . 26977 1 1162 . 1 1 198 198 ASN H H 1 7.688 0.01 . 1 . . . . 198 N HN . 26977 1 1163 . 1 1 198 198 ASN C C 13 172.078 0.05 . 1 . . . . 198 N C . 26977 1 1164 . 1 1 198 198 ASN CA C 13 52.052 0.05 . 1 . . . . 198 N CA . 26977 1 1165 . 1 1 198 198 ASN CB C 13 37.763 0.05 . 1 . . . . 198 N CB . 26977 1 1166 . 1 1 198 198 ASN N N 15 118.261 0.03 . 1 . . . . 198 N N . 26977 1 1167 . 1 1 199 199 HIS H H 1 8.247 0.01 . 1 . . . . 199 H HN . 26977 1 1168 . 1 1 199 199 HIS C C 13 173.038 0.05 . 1 . . . . 199 H C . 26977 1 1169 . 1 1 199 199 HIS CA C 13 55.162 0.05 . 1 . . . . 199 H CA . 26977 1 1170 . 1 1 199 199 HIS CB C 13 34.208 0.05 . 1 . . . . 199 H CB . 26977 1 1171 . 1 1 199 199 HIS N N 15 122.984 0.03 . 1 . . . . 199 H N . 26977 1 1172 . 1 1 200 200 PHE H H 1 8.538 0.01 . 1 . . . . 200 F HN . 26977 1 1173 . 1 1 200 200 PHE C C 13 173.598 0.05 . 1 . . . . 200 F C . 26977 1 1174 . 1 1 200 200 PHE CA C 13 55.989 0.05 . 1 . . . . 200 F CA . 26977 1 1175 . 1 1 200 200 PHE CB C 13 41.279 0.05 . 1 . . . . 200 F CB . 26977 1 1176 . 1 1 200 200 PHE N N 15 124.624 0.03 . 1 . . . . 200 F N . 26977 1 1177 . 1 1 201 201 ARG H H 1 9.129 0.01 . 1 . . . . 201 R HN . 26977 1 1178 . 1 1 201 201 ARG C C 13 173.480 0.05 . 1 . . . . 201 R C . 26977 1 1179 . 1 1 201 201 ARG CA C 13 54.518 0.05 . 1 . . . . 201 R CA . 26977 1 1180 . 1 1 201 201 ARG CB C 13 34.437 0.05 . 1 . . . . 201 R CB . 26977 1 1181 . 1 1 201 201 ARG N N 15 121.663 0.03 . 1 . . . . 201 R N . 26977 1 1182 . 1 1 202 202 CYS H H 1 8.860 0.01 . 1 . . . . 202 C HN . 26977 1 1183 . 1 1 202 202 CYS C C 13 171.482 0.05 . 1 . . . . 202 C C . 26977 1 1184 . 1 1 202 202 CYS CA C 13 52.326 0.05 . 1 . . . . 202 C CA . 26977 1 1185 . 1 1 202 202 CYS CB C 13 42.055 0.05 . 1 . . . . 202 C CB . 26977 1 1186 . 1 1 202 202 CYS N N 15 127.472 0.03 . 1 . . . . 202 C N . 26977 1 1187 . 1 1 203 203 GLN H H 1 9.273 0.01 . 1 . . . . 203 Q HN . 26977 1 1188 . 1 1 203 203 GLN C C 13 173.482 0.05 . 1 . . . . 203 Q C . 26977 1 1189 . 1 1 203 203 GLN CA C 13 54.005 0.05 . 1 . . . . 203 Q CA . 26977 1 1190 . 1 1 203 203 GLN CB C 13 32.365 0.05 . 1 . . . . 203 Q CB . 26977 1 1191 . 1 1 203 203 GLN N N 15 127.974 0.03 . 1 . . . . 203 Q N . 26977 1 1192 . 1 1 204 204 VAL H H 1 9.121 0.01 . 1 . . . . 204 V HN . 26977 1 1193 . 1 1 204 204 VAL HG11 H 1 0.385 0.01 . 2 . . . . 204 V HG1 . 26977 1 1194 . 1 1 204 204 VAL HG12 H 1 0.385 0.01 . 2 . . . . 204 V HG1 . 26977 1 1195 . 1 1 204 204 VAL HG13 H 1 0.385 0.01 . 2 . . . . 204 V HG1 . 26977 1 1196 . 1 1 204 204 VAL HG21 H 1 0.634 0.01 . 2 . . . . 204 V HG2 . 26977 1 1197 . 1 1 204 204 VAL HG22 H 1 0.634 0.01 . 2 . . . . 204 V HG2 . 26977 1 1198 . 1 1 204 204 VAL HG23 H 1 0.634 0.01 . 2 . . . . 204 V HG2 . 26977 1 1199 . 1 1 204 204 VAL C C 13 174.179 0.05 . 1 . . . . 204 V C . 26977 1 1200 . 1 1 204 204 VAL CA C 13 60.434 0.05 . 1 . . . . 204 V CA . 26977 1 1201 . 1 1 204 204 VAL CB C 13 31.517 0.05 . 1 . . . . 204 V CB . 26977 1 1202 . 1 1 204 204 VAL CG1 C 13 21.778 0.05 . 1 . . . . 204 V CG1 . 26977 1 1203 . 1 1 204 204 VAL CG2 C 13 22.071 0.05 . 1 . . . . 204 V CG2 . 26977 1 1204 . 1 1 204 204 VAL N N 15 127.553 0.03 . 1 . . . . 204 V N . 26977 1 1205 . 1 1 205 205 GLN H H 1 8.961 0.01 . 1 . . . . 205 Q HN . 26977 1 1206 . 1 1 205 205 GLN C C 13 173.731 0.05 . 1 . . . . 205 Q C . 26977 1 1207 . 1 1 205 205 GLN CA C 13 54.593 0.05 . 1 . . . . 205 Q CA . 26977 1 1208 . 1 1 205 205 GLN CB C 13 29.288 0.05 . 1 . . . . 205 Q CB . 26977 1 1209 . 1 1 205 205 GLN N N 15 128.561 0.03 . 1 . . . . 205 Q N . 26977 1 1210 . 1 1 206 206 PHE H H 1 8.837 0.01 . 1 . . . . 206 F HN . 26977 1 1211 . 1 1 206 206 PHE C C 13 172.694 0.05 . 1 . . . . 206 F C . 26977 1 1212 . 1 1 206 206 PHE CA C 13 54.966 0.05 . 1 . . . . 206 F CA . 26977 1 1213 . 1 1 206 206 PHE CB C 13 40.795 0.05 . 1 . . . . 206 F CB . 26977 1 1214 . 1 1 206 206 PHE N N 15 128.265 0.03 . 1 . . . . 206 F N . 26977 1 1215 . 1 1 207 207 HIS H H 1 7.723 0.01 . 1 . . . . 207 H HN . 26977 1 1216 . 1 1 207 207 HIS C C 13 174.282 0.05 . 1 . . . . 207 H C . 26977 1 1217 . 1 1 207 207 HIS CA C 13 55.302 0.05 . 1 . . . . 207 H CA . 26977 1 1218 . 1 1 207 207 HIS CB C 13 29.468 0.05 . 1 . . . . 207 H CB . 26977 1 1219 . 1 1 207 207 HIS N N 15 128.578 0.03 . 1 . . . . 207 H N . 26977 1 1220 . 1 1 208 208 GLY H H 1 7.687 0.01 . 1 . . . . 208 G HN . 26977 1 1221 . 1 1 208 208 GLY C C 13 174.371 0.05 . 1 . . . . 208 G C . 26977 1 1222 . 1 1 208 208 GLY CA C 13 43.417 0.05 . 1 . . . . 208 G CA . 26977 1 1223 . 1 1 208 208 GLY N N 15 111.960 0.03 . 1 . . . . 208 G N . 26977 1 1224 . 1 1 209 209 LEU H H 1 8.361 0.01 . 1 . . . . 209 L HN . 26977 1 1225 . 1 1 209 209 LEU HD11 H 1 0.987 0.01 . 2 . . . . 209 L HD1 . 26977 1 1226 . 1 1 209 209 LEU HD12 H 1 0.987 0.01 . 2 . . . . 209 L HD1 . 26977 1 1227 . 1 1 209 209 LEU HD13 H 1 0.987 0.01 . 2 . . . . 209 L HD1 . 26977 1 1228 . 1 1 209 209 LEU HD21 H 1 0.929 0.01 . 2 . . . . 209 L HD2 . 26977 1 1229 . 1 1 209 209 LEU HD22 H 1 0.929 0.01 . 2 . . . . 209 L HD2 . 26977 1 1230 . 1 1 209 209 LEU HD23 H 1 0.929 0.01 . 2 . . . . 209 L HD2 . 26977 1 1231 . 1 1 209 209 LEU C C 13 176.001 0.05 . 1 . . . . 209 L C . 26977 1 1232 . 1 1 209 209 LEU CA C 13 54.036 0.05 . 1 . . . . 209 L CA . 26977 1 1233 . 1 1 209 209 LEU CB C 13 41.275 0.05 . 1 . . . . 209 L CB . 26977 1 1234 . 1 1 209 209 LEU CG C 13 26.511 0.05 . 1 . . . . 209 L CG . 26977 1 1235 . 1 1 209 209 LEU CD1 C 13 22.643 0.05 . 1 . . . . 209 L CD1 . 26977 1 1236 . 1 1 209 209 LEU CD2 C 13 27.390 0.05 . 1 . . . . 209 L CD2 . 26977 1 1237 . 1 1 209 209 LEU N N 15 122.750 0.03 . 1 . . . . 209 L N . 26977 1 1238 . 1 1 210 210 SER H H 1 9.320 0.01 . 1 . . . . 210 S HN . 26977 1 1239 . 1 1 210 210 SER CA C 13 56.902 0.05 . 1 . . . . 210 S CA . 26977 1 1240 . 1 1 210 210 SER CB C 13 64.644 0.05 . 1 . . . . 210 S CB . 26977 1 1241 . 1 1 210 210 SER N N 15 116.789 0.03 . 1 . . . . 210 S N . 26977 1 1242 . 1 1 211 211 GLU C C 13 177.842 0.05 . 1 . . . . 211 E C . 26977 1 1243 . 1 1 212 212 GLU H H 1 8.462 0.01 . 1 . . . . 212 E HN . 26977 1 1244 . 1 1 212 212 GLU C C 13 177.105 0.05 . 1 . . . . 212 E C . 26977 1 1245 . 1 1 212 212 GLU CA C 13 56.942 0.05 . 1 . . . . 212 E CA . 26977 1 1246 . 1 1 212 212 GLU CB C 13 28.684 0.05 . 1 . . . . 212 E CB . 26977 1 1247 . 1 1 212 212 GLU N N 15 115.347 0.03 . 1 . . . . 212 E N . 26977 1 1248 . 1 1 213 213 ASP H H 1 7.247 0.01 . 1 . . . . 213 D HN . 26977 1 1249 . 1 1 213 213 ASP C C 13 175.816 0.05 . 1 . . . . 213 D C . 26977 1 1250 . 1 1 213 213 ASP CA C 13 54.995 0.05 . 1 . . . . 213 D CA . 26977 1 1251 . 1 1 213 213 ASP CB C 13 41.439 0.05 . 1 . . . . 213 D CB . 26977 1 1252 . 1 1 213 213 ASP N N 15 120.698 0.03 . 1 . . . . 213 D N . 26977 1 1253 . 1 1 214 214 LYS H H 1 8.600 0.01 . 1 . . . . 214 K HN . 26977 1 1254 . 1 1 214 214 LYS C C 13 175.679 0.05 . 1 . . . . 214 K C . 26977 1 1255 . 1 1 214 214 LYS CA C 13 55.956 0.05 . 1 . . . . 214 K CA . 26977 1 1256 . 1 1 214 214 LYS CB C 13 31.714 0.05 . 1 . . . . 214 K CB . 26977 1 1257 . 1 1 214 214 LYS N N 15 123.452 0.03 . 1 . . . . 214 K N . 26977 1 1258 . 1 1 215 215 TRP H H 1 8.362 0.01 . 1 . . . . 215 W HN . 26977 1 1259 . 1 1 215 215 TRP CA C 13 53.263 0.05 . 1 . . . . 215 W CA . 26977 1 1260 . 1 1 215 215 TRP CB C 13 32.309 0.05 . 1 . . . . 215 W CB . 26977 1 1261 . 1 1 215 215 TRP N N 15 124.321 0.03 . 1 . . . . 215 W N . 26977 1 1262 . 1 1 218 218 GLY C C 13 173.772 0.05 . 1 . . . . 218 G C . 26977 1 1263 . 1 1 218 218 GLY CA C 13 45.175 0.05 . 1 . . . . 218 G CA . 26977 1 1264 . 1 1 219 219 SER H H 1 7.722 0.01 . 1 . . . . 219 S HN . 26977 1 1265 . 1 1 219 219 SER CA C 13 55.892 0.05 . 1 . . . . 219 S CA . 26977 1 1266 . 1 1 219 219 SER CB C 13 62.935 0.05 . 1 . . . . 219 S CB . 26977 1 1267 . 1 1 219 219 SER N N 15 115.844 0.03 . 1 . . . . 219 S N . 26977 1 1268 . 1 1 220 220 PRO C C 13 176.381 0.05 . 1 . . . . 220 P C . 26977 1 1269 . 1 1 220 220 PRO CA C 13 62.638 0.05 . 1 . . . . 220 P CA . 26977 1 1270 . 1 1 220 220 PRO CB C 13 30.873 0.05 . 1 . . . . 220 P CB . 26977 1 1271 . 1 1 221 221 LYS H H 1 8.456 0.01 . 1 . . . . 221 K HN . 26977 1 1272 . 1 1 221 221 LYS CA C 13 53.268 0.05 . 1 . . . . 221 K CA . 26977 1 1273 . 1 1 221 221 LYS CB C 13 32.923 0.05 . 1 . . . . 221 K CB . 26977 1 1274 . 1 1 221 221 LYS N N 15 127.802 0.03 . 1 . . . . 221 K N . 26977 1 1275 . 1 1 222 222 PRO C C 13 174.538 0.05 . 1 . . . . 222 P C . 26977 1 1276 . 1 1 222 222 PRO CA C 13 61.232 0.05 . 1 . . . . 222 P CA . 26977 1 1277 . 1 1 223 223 VAL H H 1 7.596 0.01 . 1 . . . . 223 V HN . 26977 1 1278 . 1 1 223 223 VAL HG11 H 1 0.734 0.01 . 2 . . . . 223 V HG1 . 26977 1 1279 . 1 1 223 223 VAL HG12 H 1 0.734 0.01 . 2 . . . . 223 V HG1 . 26977 1 1280 . 1 1 223 223 VAL HG13 H 1 0.734 0.01 . 2 . . . . 223 V HG1 . 26977 1 1281 . 1 1 223 223 VAL HG21 H 1 0.801 0.01 . 2 . . . . 223 V HG2 . 26977 1 1282 . 1 1 223 223 VAL HG22 H 1 0.801 0.01 . 2 . . . . 223 V HG2 . 26977 1 1283 . 1 1 223 223 VAL HG23 H 1 0.801 0.01 . 2 . . . . 223 V HG2 . 26977 1 1284 . 1 1 223 223 VAL C C 13 175.667 0.05 . 1 . . . . 223 V C . 26977 1 1285 . 1 1 223 223 VAL CA C 13 60.059 0.05 . 1 . . . . 223 V CA . 26977 1 1286 . 1 1 223 223 VAL CB C 13 32.469 0.05 . 1 . . . . 223 V CB . 26977 1 1287 . 1 1 223 223 VAL CG1 C 13 21.833 0.05 . 1 . . . . 223 V CG1 . 26977 1 1288 . 1 1 223 223 VAL CG2 C 13 17.195 0.05 . 1 . . . . 223 V CG2 . 26977 1 1289 . 1 1 223 223 VAL N N 15 117.651 0.03 . 1 . . . . 223 V N . 26977 1 1290 . 1 1 224 224 THR H H 1 7.776 0.01 . 1 . . . . 224 T HN . 26977 1 1291 . 1 1 224 224 THR C C 13 174.564 0.05 . 1 . . . . 224 T C . 26977 1 1292 . 1 1 224 224 THR CA C 13 63.196 0.05 . 1 . . . . 224 T CA . 26977 1 1293 . 1 1 224 224 THR CB C 13 68.520 0.05 . 1 . . . . 224 T CB . 26977 1 1294 . 1 1 224 224 THR N N 15 117.890 0.03 . 1 . . . . 224 T N . 26977 1 1295 . 1 1 225 225 GLN H H 1 8.813 0.01 . 1 . . . . 225 Q HN . 26977 1 1296 . 1 1 225 225 GLN C C 13 172.058 0.05 . 1 . . . . 225 Q C . 26977 1 1297 . 1 1 225 225 GLN CA C 13 54.414 0.05 . 1 . . . . 225 Q CA . 26977 1 1298 . 1 1 225 225 GLN CB C 13 31.650 0.05 . 1 . . . . 225 Q CB . 26977 1 1299 . 1 1 225 225 GLN N N 15 122.608 0.03 . 1 . . . . 225 Q N . 26977 1 1300 . 1 1 226 226 ASN H H 1 8.605 0.01 . 1 . . . . 226 N HN . 26977 1 1301 . 1 1 226 226 ASN C C 13 174.585 0.05 . 1 . . . . 226 N C . 26977 1 1302 . 1 1 226 226 ASN CA C 13 51.377 0.05 . 1 . . . . 226 N CA . 26977 1 1303 . 1 1 226 226 ASN CB C 13 39.219 0.05 . 1 . . . . 226 N CB . 26977 1 1304 . 1 1 226 226 ASN N N 15 119.867 0.03 . 1 . . . . 226 N N . 26977 1 1305 . 1 1 227 227 ILE H H 1 9.035 0.01 . 1 . . . . 227 I HN . 26977 1 1306 . 1 1 227 227 ILE HD11 H 1 0.800 0.01 . 1 . . . . 227 I HD1 . 26977 1 1307 . 1 1 227 227 ILE HD12 H 1 0.800 0.01 . 1 . . . . 227 I HD1 . 26977 1 1308 . 1 1 227 227 ILE HD13 H 1 0.800 0.01 . 1 . . . . 227 I HD1 . 26977 1 1309 . 1 1 227 227 ILE C C 13 174.624 0.05 . 1 . . . . 227 I C . 26977 1 1310 . 1 1 227 227 ILE CA C 13 60.161 0.05 . 1 . . . . 227 I CA . 26977 1 1311 . 1 1 227 227 ILE CB C 13 39.370 0.05 . 1 . . . . 227 I CB . 26977 1 1312 . 1 1 227 227 ILE CG1 C 13 26.667 0.05 . 1 . . . . 227 I CG1 . 26977 1 1313 . 1 1 227 227 ILE CD1 C 13 14.102 0.05 . 1 . . . . 227 I CD1 . 26977 1 1314 . 1 1 227 227 ILE N N 15 127.132 0.03 . 1 . . . . 227 I N . 26977 1 1315 . 1 1 228 228 SER H H 1 8.532 0.01 . 1 . . . . 228 S HN . 26977 1 1316 . 1 1 228 228 SER C C 13 173.029 0.05 . 1 . . . . 228 S C . 26977 1 1317 . 1 1 228 228 SER CA C 13 56.727 0.05 . 1 . . . . 228 S CA . 26977 1 1318 . 1 1 228 228 SER CB C 13 66.453 0.05 . 1 . . . . 228 S CB . 26977 1 1319 . 1 1 228 228 SER N N 15 120.556 0.03 . 1 . . . . 228 S N . 26977 1 1320 . 1 1 229 229 ALA H H 1 8.551 0.01 . 1 . . . . 229 A HN . 26977 1 1321 . 1 1 229 229 ALA HB1 H 1 1.244 0.01 . 1 . . . . 229 A HB . 26977 1 1322 . 1 1 229 229 ALA HB2 H 1 1.244 0.01 . 1 . . . . 229 A HB . 26977 1 1323 . 1 1 229 229 ALA HB3 H 1 1.244 0.01 . 1 . . . . 229 A HB . 26977 1 1324 . 1 1 229 229 ALA C C 13 175.004 0.05 . 1 . . . . 229 A C . 26977 1 1325 . 1 1 229 229 ALA CA C 13 51.073 0.05 . 1 . . . . 229 A CA . 26977 1 1326 . 1 1 229 229 ALA CB C 13 22.508 0.05 . 1 . . . . 229 A CB . 26977 1 1327 . 1 1 229 229 ALA N N 15 124.193 0.03 . 1 . . . . 229 A N . 26977 1 1328 . 1 1 230 230 GLU H H 1 8.623 0.01 . 1 . . . . 230 E HN . 26977 1 1329 . 1 1 230 230 GLU C C 13 174.118 0.05 . 1 . . . . 230 E C . 26977 1 1330 . 1 1 230 230 GLU CA C 13 53.887 0.05 . 1 . . . . 230 E CA . 26977 1 1331 . 1 1 230 230 GLU CB C 13 34.122 0.05 . 1 . . . . 230 E CB . 26977 1 1332 . 1 1 230 230 GLU N N 15 118.637 0.03 . 1 . . . . 230 E N . 26977 1 1333 . 1 1 231 231 ALA H H 1 8.982 0.01 . 1 . . . . 231 A HN . 26977 1 1334 . 1 1 231 231 ALA HB1 H 1 1.610 0.01 . 1 . . . . 231 A HB . 26977 1 1335 . 1 1 231 231 ALA HB2 H 1 1.610 0.01 . 1 . . . . 231 A HB . 26977 1 1336 . 1 1 231 231 ALA HB3 H 1 1.610 0.01 . 1 . . . . 231 A HB . 26977 1 1337 . 1 1 231 231 ALA C C 13 174.817 0.05 . 1 . . . . 231 A C . 26977 1 1338 . 1 1 231 231 ALA CA C 13 51.555 0.05 . 1 . . . . 231 A CA . 26977 1 1339 . 1 1 231 231 ALA CB C 13 22.156 0.05 . 1 . . . . 231 A CB . 26977 1 1340 . 1 1 231 231 ALA N N 15 121.283 0.03 . 1 . . . . 231 A N . 26977 1 1341 . 1 1 232 232 TRP H H 1 8.572 0.01 . 1 . . . . 232 W HN . 26977 1 1342 . 1 1 232 232 TRP C C 13 176.331 0.05 . 1 . . . . 232 W C . 26977 1 1343 . 1 1 232 232 TRP CB C 13 31.416 0.05 . 1 . . . . 232 W CB . 26977 1 1344 . 1 1 232 232 TRP N N 15 121.265 0.03 . 1 . . . . 232 W N . 26977 1 1345 . 1 1 233 233 GLY H H 1 8.663 0.01 . 1 . . . . 233 G HN . 26977 1 1346 . 1 1 233 233 GLY C C 13 172.061 0.05 . 1 . . . . 233 G C . 26977 1 1347 . 1 1 233 233 GLY CA C 13 45.094 0.05 . 1 . . . . 233 G CA . 26977 1 1348 . 1 1 233 233 GLY N N 15 105.896 0.03 . 1 . . . . 233 G N . 26977 1 1349 . 1 1 234 234 ARG H H 1 6.385 0.01 . 1 . . . . 234 R HN . 26977 1 1350 . 1 1 234 234 ARG C C 13 174.354 0.05 . 1 . . . . 234 R C . 26977 1 1351 . 1 1 234 234 ARG CA C 13 54.492 0.05 . 1 . . . . 234 R CA . 26977 1 1352 . 1 1 234 234 ARG CB C 13 31.228 0.05 . 1 . . . . 234 R CB . 26977 1 1353 . 1 1 234 234 ARG N N 15 115.551 0.03 . 1 . . . . 234 R N . 26977 1 1354 . 1 1 235 235 ALA H H 1 8.482 0.01 . 1 . . . . 235 A HN . 26977 1 1355 . 1 1 235 235 ALA HB1 H 1 1.310 0.01 . 1 . . . . 235 A HB . 26977 1 1356 . 1 1 235 235 ALA HB2 H 1 1.310 0.01 . 1 . . . . 235 A HB . 26977 1 1357 . 1 1 235 235 ALA HB3 H 1 1.310 0.01 . 1 . . . . 235 A HB . 26977 1 1358 . 1 1 235 235 ALA C C 13 176.556 0.05 . 1 . . . . 235 A C . 26977 1 1359 . 1 1 235 235 ALA CA C 13 52.160 0.05 . 1 . . . . 235 A CA . 26977 1 1360 . 1 1 235 235 ALA CB C 13 18.555 0.05 . 1 . . . . 235 A CB . 26977 1 1361 . 1 1 235 235 ALA N N 15 124.927 0.03 . 1 . . . . 235 A N . 26977 1 1362 . 1 1 236 236 ASP H H 1 7.701 0.01 . 1 . . . . 236 D HN . 26977 1 1363 . 1 1 236 236 ASP CA C 13 54.961 0.05 . 1 . . . . 236 D CA . 26977 1 1364 . 1 1 236 236 ASP CB C 13 41.640 0.05 . 1 . . . . 236 D CB . 26977 1 1365 . 1 1 236 236 ASP N N 15 123.838 0.03 . 1 . . . . 236 D N . 26977 1 stop_ save_