data_26601 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26601 _Entry.Title ; Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N30 beta subunit ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-06 _Entry.Accession_date 2015-07-06 _Entry.Last_release_date 2015-07-14 _Entry.Original_release_date 2015-07-14 _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 Robert Mallis . J. . . 26601 2 Haribabu Arthanari . . . . 26601 3 Ellis Reinherz . L. . . 26601 4 Gerhard Wagner . . . . 26601 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26601 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 606 26601 '15N chemical shifts' 207 26601 '1H chemical shifts' 207 26601 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-07-11 2015-07-06 update BMRB 'update entry citation' 26601 1 . . 2015-07-14 2015-07-06 original author 'original release' 26601 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26600 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit' 26601 BMRB 26602 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor D10 beta subunit' 26601 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 26601 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26275917 _Citation.Full_citation . _Citation.Title ; Backbone Resonance Assignment of N15, N30 and D10 T cell Receptor beta subunits ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 35 _Citation.Page_last 39 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Robert Mallis . J. . . 26601 1 2 Ellis Reinherz . L. . . 26601 1 3 Gerhard Wagner . . . . 26601 1 4 Haribabu Arthanari . . . . 26601 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MHC 26601 1 'T-cell Receptor (TCR)' 26601 1 immunology 26601 1 'protein refolding' 26601 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26601 _Assembly.ID 1 _Assembly.Name 'N30alphabetaTCR, pTalpha/N30beta' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'beta subunit' 1 $N30_beta_TCR A . yes native no no . . . 26601 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 24 24 SG . 1 . 1 CYS 93 93 SG . . . . . . . . . . 26601 1 2 disulfide single . 1 . 1 CYS 145 145 SG . 1 . 1 CYS 206 206 SG . . . . . . . . . . 26601 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 3Q5T . . X-ray 2.0 'Same construct' . 26601 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N30_beta_TCR _Entity.Sf_category entity _Entity.Sf_framecode N30_beta_TCR _Entity.Entry_ID 26601 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N30_beta_TCR _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 ; MEAGVTQSPRYAVLQEGQSV SFWCDPISGHDTLYWYQQPR DQGPQLLVYFRDEAVIDNSQ LPSDRFSAVRPKGTNSTLKI QSAKQGDTATYLCASSSGVG TEVFFGKGTRLTVVEDLRNV TPPKVSLFEPSKAEIANKQK ATLVCLARGFFPDHVELSWW VNGKEVHSGVSTDPQAYKES NYSYSLSSRLRVSATFWHNP RNHFRCQVQFHGLSEEDKWP EGSPKPVTQNISAEAWGRAD S ; _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 241 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Extracellular domain' _Entity.Mutation C240S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 26601 1 2 1 GLU . 26601 1 3 2 ALA . 26601 1 4 3 GLY . 26601 1 5 4 VAL . 26601 1 6 5 THR . 26601 1 7 6 GLN . 26601 1 8 7 SER . 26601 1 9 8 PRO . 26601 1 10 9 ARG . 26601 1 11 10 TYR . 26601 1 12 11 ALA . 26601 1 13 12 VAL . 26601 1 14 13 LEU . 26601 1 15 14 GLN . 26601 1 16 15 GLU . 26601 1 17 16 GLY . 26601 1 18 17 GLN . 26601 1 19 18 SER . 26601 1 20 19 VAL . 26601 1 21 20 SER . 26601 1 22 21 PHE . 26601 1 23 22 TRP . 26601 1 24 23 CYS . 26601 1 25 24 ASP . 26601 1 26 25 PRO . 26601 1 27 26 ILE . 26601 1 28 27 SER . 26601 1 29 28 GLY . 26601 1 30 29 HIS . 26601 1 31 30 ASP . 26601 1 32 31 THR . 26601 1 33 32 LEU . 26601 1 34 33 TYR . 26601 1 35 34 TRP . 26601 1 36 35 TYR . 26601 1 37 36 GLN . 26601 1 38 37 GLN . 26601 1 39 38 PRO . 26601 1 40 39 ARG . 26601 1 41 40 ASP . 26601 1 42 41 GLN . 26601 1 43 42 GLY . 26601 1 44 43 PRO . 26601 1 45 44 GLN . 26601 1 46 45 LEU . 26601 1 47 46 LEU . 26601 1 48 47 VAL . 26601 1 49 48 TYR . 26601 1 50 49 PHE . 26601 1 51 50 ARG . 26601 1 52 51 ASP . 26601 1 53 52 GLU . 26601 1 54 53 ALA . 26601 1 55 54 VAL . 26601 1 56 55 ILE . 26601 1 57 56 ASP . 26601 1 58 57 ASN . 26601 1 59 58 SER . 26601 1 60 59 GLN . 26601 1 61 60 LEU . 26601 1 62 61 PRO . 26601 1 63 62 SER . 26601 1 64 63 ASP . 26601 1 65 64 ARG . 26601 1 66 65 PHE . 26601 1 67 66 SER . 26601 1 68 67 ALA . 26601 1 69 68 VAL . 26601 1 70 69 ARG . 26601 1 71 70 PRO . 26601 1 72 71 LYS . 26601 1 73 72 GLY . 26601 1 74 73 THR . 26601 1 75 74 ASN . 26601 1 76 75 SER . 26601 1 77 76 THR . 26601 1 78 77 LEU . 26601 1 79 78 LYS . 26601 1 80 79 ILE . 26601 1 81 80 GLN . 26601 1 82 81 SER . 26601 1 83 82 ALA . 26601 1 84 83 LYS . 26601 1 85 84 GLN . 26601 1 86 85 GLY . 26601 1 87 86 ASP . 26601 1 88 87 THR . 26601 1 89 88 ALA . 26601 1 90 89 THR . 26601 1 91 90 TYR . 26601 1 92 91 LEU . 26601 1 93 92 CYS . 26601 1 94 93 ALA . 26601 1 95 94 SER . 26601 1 96 95 SER . 26601 1 97 96 SER . 26601 1 98 97 GLY . 26601 1 99 98 VAL . 26601 1 100 99 GLY . 26601 1 101 100 THR . 26601 1 102 101 GLU . 26601 1 103 102 VAL . 26601 1 104 103 PHE . 26601 1 105 104 PHE . 26601 1 106 105 GLY . 26601 1 107 106 LYS . 26601 1 108 107 GLY . 26601 1 109 108 THR . 26601 1 110 109 ARG . 26601 1 111 110 LEU . 26601 1 112 111 THR . 26601 1 113 112 VAL . 26601 1 114 113 VAL . 26601 1 115 114 GLU . 26601 1 116 115 ASP . 26601 1 117 116 LEU . 26601 1 118 117 ARG . 26601 1 119 118 ASN . 26601 1 120 119 VAL . 26601 1 121 120 THR . 26601 1 122 121 PRO . 26601 1 123 122 PRO . 26601 1 124 123 LYS . 26601 1 125 124 VAL . 26601 1 126 125 SER . 26601 1 127 126 LEU . 26601 1 128 127 PHE . 26601 1 129 128 GLU . 26601 1 130 129 PRO . 26601 1 131 130 SER . 26601 1 132 131 LYS . 26601 1 133 132 ALA . 26601 1 134 133 GLU . 26601 1 135 134 ILE . 26601 1 136 135 ALA . 26601 1 137 136 ASN . 26601 1 138 137 LYS . 26601 1 139 138 GLN . 26601 1 140 139 LYS . 26601 1 141 140 ALA . 26601 1 142 141 THR . 26601 1 143 142 LEU . 26601 1 144 143 VAL . 26601 1 145 144 CYS . 26601 1 146 145 LEU . 26601 1 147 146 ALA . 26601 1 148 147 ARG . 26601 1 149 148 GLY . 26601 1 150 149 PHE . 26601 1 151 150 PHE . 26601 1 152 151 PRO . 26601 1 153 152 ASP . 26601 1 154 153 HIS . 26601 1 155 154 VAL . 26601 1 156 155 GLU . 26601 1 157 156 LEU . 26601 1 158 157 SER . 26601 1 159 158 TRP . 26601 1 160 159 TRP . 26601 1 161 160 VAL . 26601 1 162 161 ASN . 26601 1 163 162 GLY . 26601 1 164 163 LYS . 26601 1 165 164 GLU . 26601 1 166 165 VAL . 26601 1 167 166 HIS . 26601 1 168 167 SER . 26601 1 169 168 GLY . 26601 1 170 169 VAL . 26601 1 171 170 SER . 26601 1 172 171 THR . 26601 1 173 172 ASP . 26601 1 174 173 PRO . 26601 1 175 174 GLN . 26601 1 176 175 ALA . 26601 1 177 176 TYR . 26601 1 178 177 LYS . 26601 1 179 178 GLU . 26601 1 180 179 SER . 26601 1 181 180 ASN . 26601 1 182 181 TYR . 26601 1 183 182 SER . 26601 1 184 183 TYR . 26601 1 185 184 SER . 26601 1 186 185 LEU . 26601 1 187 186 SER . 26601 1 188 187 SER . 26601 1 189 188 ARG . 26601 1 190 189 LEU . 26601 1 191 190 ARG . 26601 1 192 191 VAL . 26601 1 193 192 SER . 26601 1 194 193 ALA . 26601 1 195 194 THR . 26601 1 196 195 PHE . 26601 1 197 196 TRP . 26601 1 198 197 HIS . 26601 1 199 198 ASN . 26601 1 200 199 PRO . 26601 1 201 200 ARG . 26601 1 202 201 ASN . 26601 1 203 202 HIS . 26601 1 204 203 PHE . 26601 1 205 204 ARG . 26601 1 206 205 CYS . 26601 1 207 206 GLN . 26601 1 208 207 VAL . 26601 1 209 208 GLN . 26601 1 210 209 PHE . 26601 1 211 210 HIS . 26601 1 212 211 GLY . 26601 1 213 212 LEU . 26601 1 214 213 SER . 26601 1 215 214 GLU . 26601 1 216 215 GLU . 26601 1 217 216 ASP . 26601 1 218 217 LYS . 26601 1 219 218 TRP . 26601 1 220 219 PRO . 26601 1 221 220 GLU . 26601 1 222 221 GLY . 26601 1 223 222 SER . 26601 1 224 223 PRO . 26601 1 225 224 LYS . 26601 1 226 225 PRO . 26601 1 227 226 VAL . 26601 1 228 227 THR . 26601 1 229 228 GLN . 26601 1 230 229 ASN . 26601 1 231 230 ILE . 26601 1 232 231 SER . 26601 1 233 232 ALA . 26601 1 234 233 GLU . 26601 1 235 234 ALA . 26601 1 236 235 TRP . 26601 1 237 236 GLY . 26601 1 238 237 ARG . 26601 1 239 238 ALA . 26601 1 240 239 ASP . 26601 1 241 240 SER . 26601 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 26601 1 . GLU 2 2 26601 1 . ALA 3 3 26601 1 . GLY 4 4 26601 1 . VAL 5 5 26601 1 . THR 6 6 26601 1 . GLN 7 7 26601 1 . SER 8 8 26601 1 . PRO 9 9 26601 1 . ARG 10 10 26601 1 . TYR 11 11 26601 1 . ALA 12 12 26601 1 . VAL 13 13 26601 1 . LEU 14 14 26601 1 . GLN 15 15 26601 1 . GLU 16 16 26601 1 . GLY 17 17 26601 1 . GLN 18 18 26601 1 . SER 19 19 26601 1 . VAL 20 20 26601 1 . SER 21 21 26601 1 . PHE 22 22 26601 1 . TRP 23 23 26601 1 . CYS 24 24 26601 1 . ASP 25 25 26601 1 . PRO 26 26 26601 1 . ILE 27 27 26601 1 . SER 28 28 26601 1 . GLY 29 29 26601 1 . HIS 30 30 26601 1 . ASP 31 31 26601 1 . THR 32 32 26601 1 . LEU 33 33 26601 1 . TYR 34 34 26601 1 . TRP 35 35 26601 1 . TYR 36 36 26601 1 . GLN 37 37 26601 1 . GLN 38 38 26601 1 . PRO 39 39 26601 1 . ARG 40 40 26601 1 . ASP 41 41 26601 1 . GLN 42 42 26601 1 . GLY 43 43 26601 1 . PRO 44 44 26601 1 . GLN 45 45 26601 1 . LEU 46 46 26601 1 . LEU 47 47 26601 1 . VAL 48 48 26601 1 . TYR 49 49 26601 1 . PHE 50 50 26601 1 . ARG 51 51 26601 1 . ASP 52 52 26601 1 . GLU 53 53 26601 1 . ALA 54 54 26601 1 . VAL 55 55 26601 1 . ILE 56 56 26601 1 . ASP 57 57 26601 1 . ASN 58 58 26601 1 . SER 59 59 26601 1 . GLN 60 60 26601 1 . LEU 61 61 26601 1 . PRO 62 62 26601 1 . SER 63 63 26601 1 . ASP 64 64 26601 1 . ARG 65 65 26601 1 . PHE 66 66 26601 1 . SER 67 67 26601 1 . ALA 68 68 26601 1 . VAL 69 69 26601 1 . ARG 70 70 26601 1 . PRO 71 71 26601 1 . LYS 72 72 26601 1 . GLY 73 73 26601 1 . THR 74 74 26601 1 . ASN 75 75 26601 1 . SER 76 76 26601 1 . THR 77 77 26601 1 . LEU 78 78 26601 1 . LYS 79 79 26601 1 . ILE 80 80 26601 1 . GLN 81 81 26601 1 . SER 82 82 26601 1 . ALA 83 83 26601 1 . LYS 84 84 26601 1 . GLN 85 85 26601 1 . GLY 86 86 26601 1 . ASP 87 87 26601 1 . THR 88 88 26601 1 . ALA 89 89 26601 1 . THR 90 90 26601 1 . TYR 91 91 26601 1 . LEU 92 92 26601 1 . CYS 93 93 26601 1 . ALA 94 94 26601 1 . SER 95 95 26601 1 . SER 96 96 26601 1 . SER 97 97 26601 1 . GLY 98 98 26601 1 . VAL 99 99 26601 1 . GLY 100 100 26601 1 . THR 101 101 26601 1 . GLU 102 102 26601 1 . VAL 103 103 26601 1 . PHE 104 104 26601 1 . PHE 105 105 26601 1 . GLY 106 106 26601 1 . LYS 107 107 26601 1 . GLY 108 108 26601 1 . THR 109 109 26601 1 . ARG 110 110 26601 1 . LEU 111 111 26601 1 . THR 112 112 26601 1 . VAL 113 113 26601 1 . VAL 114 114 26601 1 . GLU 115 115 26601 1 . ASP 116 116 26601 1 . LEU 117 117 26601 1 . ARG 118 118 26601 1 . ASN 119 119 26601 1 . VAL 120 120 26601 1 . THR 121 121 26601 1 . PRO 122 122 26601 1 . PRO 123 123 26601 1 . LYS 124 124 26601 1 . VAL 125 125 26601 1 . SER 126 126 26601 1 . LEU 127 127 26601 1 . PHE 128 128 26601 1 . GLU 129 129 26601 1 . PRO 130 130 26601 1 . SER 131 131 26601 1 . LYS 132 132 26601 1 . ALA 133 133 26601 1 . GLU 134 134 26601 1 . ILE 135 135 26601 1 . ALA 136 136 26601 1 . ASN 137 137 26601 1 . LYS 138 138 26601 1 . GLN 139 139 26601 1 . LYS 140 140 26601 1 . ALA 141 141 26601 1 . THR 142 142 26601 1 . LEU 143 143 26601 1 . VAL 144 144 26601 1 . CYS 145 145 26601 1 . LEU 146 146 26601 1 . ALA 147 147 26601 1 . ARG 148 148 26601 1 . GLY 149 149 26601 1 . PHE 150 150 26601 1 . PHE 151 151 26601 1 . PRO 152 152 26601 1 . ASP 153 153 26601 1 . HIS 154 154 26601 1 . VAL 155 155 26601 1 . GLU 156 156 26601 1 . LEU 157 157 26601 1 . SER 158 158 26601 1 . TRP 159 159 26601 1 . TRP 160 160 26601 1 . VAL 161 161 26601 1 . ASN 162 162 26601 1 . GLY 163 163 26601 1 . LYS 164 164 26601 1 . GLU 165 165 26601 1 . VAL 166 166 26601 1 . HIS 167 167 26601 1 . SER 168 168 26601 1 . GLY 169 169 26601 1 . VAL 170 170 26601 1 . SER 171 171 26601 1 . THR 172 172 26601 1 . ASP 173 173 26601 1 . PRO 174 174 26601 1 . GLN 175 175 26601 1 . ALA 176 176 26601 1 . TYR 177 177 26601 1 . LYS 178 178 26601 1 . GLU 179 179 26601 1 . SER 180 180 26601 1 . ASN 181 181 26601 1 . TYR 182 182 26601 1 . SER 183 183 26601 1 . TYR 184 184 26601 1 . SER 185 185 26601 1 . LEU 186 186 26601 1 . SER 187 187 26601 1 . SER 188 188 26601 1 . ARG 189 189 26601 1 . LEU 190 190 26601 1 . ARG 191 191 26601 1 . VAL 192 192 26601 1 . SER 193 193 26601 1 . ALA 194 194 26601 1 . THR 195 195 26601 1 . PHE 196 196 26601 1 . TRP 197 197 26601 1 . HIS 198 198 26601 1 . ASN 199 199 26601 1 . PRO 200 200 26601 1 . ARG 201 201 26601 1 . ASN 202 202 26601 1 . HIS 203 203 26601 1 . PHE 204 204 26601 1 . ARG 205 205 26601 1 . CYS 206 206 26601 1 . GLN 207 207 26601 1 . VAL 208 208 26601 1 . GLN 209 209 26601 1 . PHE 210 210 26601 1 . HIS 211 211 26601 1 . GLY 212 212 26601 1 . LEU 213 213 26601 1 . SER 214 214 26601 1 . GLU 215 215 26601 1 . GLU 216 216 26601 1 . ASP 217 217 26601 1 . LYS 218 218 26601 1 . TRP 219 219 26601 1 . PRO 220 220 26601 1 . GLU 221 221 26601 1 . GLY 222 222 26601 1 . SER 223 223 26601 1 . PRO 224 224 26601 1 . LYS 225 225 26601 1 . PRO 226 226 26601 1 . VAL 227 227 26601 1 . THR 228 228 26601 1 . GLN 229 229 26601 1 . ASN 230 230 26601 1 . ILE 231 231 26601 1 . SER 232 232 26601 1 . ALA 233 233 26601 1 . GLU 234 234 26601 1 . ALA 235 235 26601 1 . TRP 236 236 26601 1 . GLY 237 237 26601 1 . ARG 238 238 26601 1 . ALA 239 239 26601 1 . ASP 240 240 26601 1 . SER 241 241 26601 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26601 _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 $N30_beta_TCR . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 26601 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 26601 _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 $N30_beta_TCR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet11d . . . 26601 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26601 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N30 beta TCR' '[U-13C; U-15N; U-2H]' . . 1 $N30_beta_TCR . . 0.4 . . mM . . . . 26601 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26601 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26601 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26601 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26601 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26601 _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' 250 . mM 26601 1 pH 7 . pH 26601 1 pressure 1 . atm 26601 1 temperature 298 . K 26601 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26601 _Software.ID 1 _Software.Name CARA _Software.Version 1.90 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26601 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26601 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26601 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26601 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 26601 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 26601 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 750 . . . 26601 1 2 spectrometer_2 Bruker Avance . 600 . . . 26601 1 3 spectrometer_3 Varian INOVA . 600 . . . 26601 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 26601 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26601 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 26601 _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 water protons . . . . ppm 4.7 internal indirect 1 . . . . . 26601 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 26601 1 N 15 water protons . . . . ppm 4.7 internal indirect 1 . . . . . 26601 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 26601 _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 '2D 1H-15N HSQC' . . . 26601 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 3 3 ALA H H 1 8.285 0.020 . 1 . . . . 2 ALA H . 26601 1 2 . 1 1 3 3 ALA C C 13 177.314 0.3 . 1 . . . . 2 ALA C . 26601 1 3 . 1 1 3 3 ALA CA C 13 51.688 0.3 . 1 . . . . 2 ALA CA . 26601 1 4 . 1 1 3 3 ALA CB C 13 18.674 0.3 . 1 . . . . 2 ALA CB . 26601 1 5 . 1 1 3 3 ALA N N 15 125.902 0.3 . 1 . . . . 2 ALA N . 26601 1 6 . 1 1 4 4 GLY H H 1 7.939 0.020 . 1 . . . . 3 GLY H . 26601 1 7 . 1 1 4 4 GLY C C 13 172.491 0.3 . 1 . . . . 3 GLY C . 26601 1 8 . 1 1 4 4 GLY CA C 13 43.971 0.3 . 1 . . . . 3 GLY CA . 26601 1 9 . 1 1 4 4 GLY N N 15 108.019 0.3 . 1 . . . . 3 GLY N . 26601 1 10 . 1 1 5 5 VAL H H 1 8.330 0.020 . 1 . . . . 4 VAL H . 26601 1 11 . 1 1 5 5 VAL C C 13 176.967 0.3 . 1 . . . . 4 VAL C . 26601 1 12 . 1 1 5 5 VAL CA C 13 62.614 0.3 . 1 . . . . 4 VAL CA . 26601 1 13 . 1 1 5 5 VAL CB C 13 31.464 0.3 . 1 . . . . 4 VAL CB . 26601 1 14 . 1 1 5 5 VAL N N 15 123.755 0.3 . 1 . . . . 4 VAL N . 26601 1 15 . 1 1 6 6 THR H H 1 8.678 0.020 . 1 . . . . 5 THR H . 26601 1 16 . 1 1 6 6 THR C C 13 172.536 0.3 . 1 . . . . 5 THR C . 26601 1 17 . 1 1 6 6 THR CA C 13 61.909 0.3 . 1 . . . . 5 THR CA . 26601 1 18 . 1 1 6 6 THR CB C 13 69.625 0.3 . 1 . . . . 5 THR CB . 26601 1 19 . 1 1 6 6 THR N N 15 126.053 0.3 . 1 . . . . 5 THR N . 26601 1 20 . 1 1 11 11 TYR H H 1 7.728 0.020 . 1 . . . . 10 TYR H . 26601 1 21 . 1 1 11 11 TYR C C 13 174.631 0.3 . 1 . . . . 10 TYR C . 26601 1 22 . 1 1 11 11 TYR CA C 13 55.908 0.3 . 1 . . . . 10 TYR CA . 26601 1 23 . 1 1 11 11 TYR CB C 13 42.456 0.3 . 1 . . . . 10 TYR CB . 26601 1 24 . 1 1 11 11 TYR N N 15 116.675 0.3 . 1 . . . . 10 TYR N . 26601 1 25 . 1 1 12 12 ALA H H 1 8.835 0.020 . 1 . . . . 11 ALA H . 26601 1 26 . 1 1 12 12 ALA C C 13 174.556 0.3 . 1 . . . . 11 ALA C . 26601 1 27 . 1 1 12 12 ALA CA C 13 51.739 0.3 . 1 . . . . 11 ALA CA . 26601 1 28 . 1 1 12 12 ALA CB C 13 20.886 0.3 . 1 . . . . 11 ALA CB . 26601 1 29 . 1 1 12 12 ALA N N 15 122.406 0.3 . 1 . . . . 11 ALA N . 26601 1 30 . 1 1 13 13 VAL H H 1 8.582 0.020 . 1 . . . . 12 VAL H . 26601 1 31 . 1 1 13 13 VAL C C 13 172.401 0.3 . 1 . . . . 12 VAL C . 26601 1 32 . 1 1 13 13 VAL CA C 13 58.694 0.3 . 1 . . . . 12 VAL CA . 26601 1 33 . 1 1 13 13 VAL CB C 13 33.123 0.3 . 1 . . . . 12 VAL CB . 26601 1 34 . 1 1 13 13 VAL N N 15 123.459 0.3 . 1 . . . . 12 VAL N . 26601 1 35 . 1 1 14 14 LEU H H 1 8.184 0.020 . 1 . . . . 13 LEU H . 26601 1 36 . 1 1 14 14 LEU C C 13 175.068 0.3 . 1 . . . . 13 LEU C . 26601 1 37 . 1 1 14 14 LEU CA C 13 52.279 0.3 . 1 . . . . 13 LEU CA . 26601 1 38 . 1 1 14 14 LEU CB C 13 46.327 0.3 . 1 . . . . 13 LEU CB . 26601 1 39 . 1 1 14 14 LEU N N 15 126.663 0.3 . 1 . . . . 13 LEU N . 26601 1 40 . 1 1 15 15 GLN H H 1 8.622 0.020 . 1 . . . . 14 GLN H . 26601 1 41 . 1 1 15 15 GLN C C 13 175.295 0.3 . 1 . . . . 14 GLN C . 26601 1 42 . 1 1 15 15 GLN CA C 13 53.914 0.3 . 1 . . . . 14 GLN CA . 26601 1 43 . 1 1 15 15 GLN CB C 13 29.666 0.3 . 1 . . . . 14 GLN CB . 26601 1 44 . 1 1 15 15 GLN N N 15 122.556 0.3 . 1 . . . . 14 GLN N . 26601 1 45 . 1 1 16 16 GLU H H 1 7.871 0.020 . 1 . . . . 15 GLU H . 26601 1 46 . 1 1 16 16 GLU C C 13 176.952 0.3 . 1 . . . . 15 GLU C . 26601 1 47 . 1 1 16 16 GLU CA C 13 57.642 0.3 . 1 . . . . 15 GLU CA . 26601 1 48 . 1 1 16 16 GLU CB C 13 29.085 0.3 . 1 . . . . 15 GLU CB . 26601 1 49 . 1 1 16 16 GLU N N 15 122.981 0.3 . 1 . . . . 15 GLU N . 26601 1 50 . 1 1 17 17 GLY H H 1 9.662 0.020 . 1 . . . . 16 GLY H . 26601 1 51 . 1 1 17 17 GLY C C 13 175.159 0.3 . 1 . . . . 16 GLY C . 26601 1 52 . 1 1 17 17 GLY CA C 13 44.175 0.3 . 1 . . . . 16 GLY CA . 26601 1 53 . 1 1 17 17 GLY N N 15 113.669 0.3 . 1 . . . . 16 GLY N . 26601 1 54 . 1 1 18 18 GLN H H 1 7.707 0.020 . 1 . . . . 17 GLN H . 26601 1 55 . 1 1 18 18 GLN C C 13 173.712 0.3 . 1 . . . . 17 GLN C . 26601 1 56 . 1 1 18 18 GLN CA C 13 55.254 0.3 . 1 . . . . 17 GLN CA . 26601 1 57 . 1 1 18 18 GLN CB C 13 29.459 0.3 . 1 . . . . 17 GLN CB . 26601 1 58 . 1 1 18 18 GLN N N 15 120.813 0.3 . 1 . . . . 17 GLN N . 26601 1 59 . 1 1 19 19 SER H H 1 8.105 0.020 . 1 . . . . 18 SER H . 26601 1 60 . 1 1 19 19 SER C C 13 172.732 0.3 . 1 . . . . 18 SER C . 26601 1 61 . 1 1 19 19 SER CA C 13 56.133 0.3 . 1 . . . . 18 SER CA . 26601 1 62 . 1 1 19 19 SER CB C 13 65.062 0.3 . 1 . . . . 18 SER CB . 26601 1 63 . 1 1 19 19 SER N N 15 113.665 0.3 . 1 . . . . 18 SER N . 26601 1 64 . 1 1 20 20 VAL H H 1 8.397 0.020 . 1 . . . . 19 VAL H . 26601 1 65 . 1 1 20 20 VAL C C 13 170.652 0.3 . 1 . . . . 19 VAL C . 26601 1 66 . 1 1 20 20 VAL CA C 13 60.084 0.3 . 1 . . . . 19 VAL CA . 26601 1 67 . 1 1 20 20 VAL CB C 13 33.261 0.3 . 1 . . . . 19 VAL CB . 26601 1 68 . 1 1 20 20 VAL N N 15 121.061 0.3 . 1 . . . . 19 VAL N . 26601 1 69 . 1 1 21 21 SER H H 1 7.414 0.020 . 1 . . . . 20 SER H . 26601 1 70 . 1 1 21 21 SER C C 13 171.813 0.3 . 1 . . . . 20 SER C . 26601 1 71 . 1 1 21 21 SER CA C 13 56.272 0.3 . 1 . . . . 20 SER CA . 26601 1 72 . 1 1 21 21 SER CB C 13 64.647 0.3 . 1 . . . . 20 SER CB . 26601 1 73 . 1 1 21 21 SER N N 15 119.503 0.3 . 1 . . . . 20 SER N . 26601 1 74 . 1 1 22 22 PHE H H 1 9.138 0.020 . 1 . . . . 21 PHE H . 26601 1 75 . 1 1 22 22 PHE C C 13 174.209 0.3 . 1 . . . . 21 PHE C . 26601 1 76 . 1 1 22 22 PHE CA C 13 52.905 0.3 . 1 . . . . 21 PHE CA . 26601 1 77 . 1 1 22 22 PHE CB C 13 39.760 0.3 . 1 . . . . 21 PHE CB . 26601 1 78 . 1 1 22 22 PHE N N 15 124.238 0.3 . 1 . . . . 21 PHE N . 26601 1 79 . 1 1 23 23 TRP H H 1 9.235 0.020 . 1 . . . . 22 TRP H . 26601 1 80 . 1 1 23 23 TRP C C 13 175.822 0.3 . 1 . . . . 22 TRP C . 26601 1 81 . 1 1 23 23 TRP CA C 13 57.172 0.3 . 1 . . . . 22 TRP CA . 26601 1 82 . 1 1 23 23 TRP CB C 13 31.602 0.3 . 1 . . . . 22 TRP CB . 26601 1 83 . 1 1 23 23 TRP N N 15 122.760 0.3 . 1 . . . . 22 TRP N . 26601 1 84 . 1 1 24 24 CYS H H 1 8.859 0.020 . 1 . . . . 23 CYS H . 26601 1 85 . 1 1 24 24 CYS C C 13 170.954 0.3 . 1 . . . . 23 CYS C . 26601 1 86 . 1 1 24 24 CYS CA C 13 52.670 0.3 . 1 . . . . 23 CYS CA . 26601 1 87 . 1 1 24 24 CYS CB C 13 43.769 0.3 . 1 . . . . 23 CYS CB . 26601 1 88 . 1 1 24 24 CYS N N 15 125.291 0.3 . 1 . . . . 23 CYS N . 26601 1 89 . 1 1 25 25 ASP H H 1 8.837 0.020 . 1 . . . . 24 ASP H . 26601 1 90 . 1 1 25 25 ASP C C 13 173.501 0.3 . 1 . . . . 24 ASP C . 26601 1 91 . 1 1 25 25 ASP CA C 13 49.265 0.3 . 1 . . . . 24 ASP CA . 26601 1 92 . 1 1 25 25 ASP CB C 13 42.524 0.3 . 1 . . . . 24 ASP CB . 26601 1 93 . 1 1 25 25 ASP N N 15 128.593 0.3 . 1 . . . . 24 ASP N . 26601 1 94 . 1 1 27 27 ILE H H 1 6.506 0.020 . 1 . . . . 26 ILE H . 26601 1 95 . 1 1 27 27 ILE C C 13 176.259 0.3 . 1 . . . . 26 ILE C . 26601 1 96 . 1 1 27 27 ILE CA C 13 62.261 0.3 . 1 . . . . 26 ILE CA . 26601 1 97 . 1 1 27 27 ILE CB C 13 35.335 0.3 . 1 . . . . 26 ILE CB . 26601 1 98 . 1 1 27 27 ILE N N 15 121.402 0.3 . 1 . . . . 26 ILE N . 26601 1 99 . 1 1 28 28 SER H H 1 7.950 0.020 . 1 . . . . 27 SER H . 26601 1 100 . 1 1 28 28 SER C C 13 175.626 0.3 . 1 . . . . 27 SER C . 26601 1 101 . 1 1 28 28 SER CA C 13 59.244 0.3 . 1 . . . . 27 SER CA . 26601 1 102 . 1 1 28 28 SER CB C 13 61.882 0.3 . 1 . . . . 27 SER CB . 26601 1 103 . 1 1 28 28 SER N N 15 121.574 0.3 . 1 . . . . 27 SER N . 26601 1 104 . 1 1 29 29 GLY H H 1 8.736 0.020 . 1 . . . . 28 GLY H . 26601 1 105 . 1 1 29 29 GLY C C 13 175.325 0.3 . 1 . . . . 28 GLY C . 26601 1 106 . 1 1 29 29 GLY CA C 13 44.353 0.3 . 1 . . . . 28 GLY CA . 26601 1 107 . 1 1 29 29 GLY N N 15 114.524 0.3 . 1 . . . . 28 GLY N . 26601 1 108 . 1 1 30 30 HIS H H 1 7.955 0.020 . 1 . . . . 29 HIS H . 26601 1 109 . 1 1 30 30 HIS C C 13 176.018 0.3 . 1 . . . . 29 HIS C . 26601 1 110 . 1 1 30 30 HIS CA C 13 56.060 0.3 . 1 . . . . 29 HIS CA . 26601 1 111 . 1 1 30 30 HIS CB C 13 30.772 0.3 . 1 . . . . 29 HIS CB . 26601 1 112 . 1 1 30 30 HIS N N 15 121.813 0.3 . 1 . . . . 29 HIS N . 26601 1 113 . 1 1 31 31 ASP H H 1 8.703 0.020 . 1 . . . . 30 ASP H . 26601 1 114 . 1 1 31 31 ASP C C 13 177.857 0.3 . 1 . . . . 30 ASP C . 26601 1 115 . 1 1 31 31 ASP CA C 13 54.197 0.3 . 1 . . . . 30 ASP CA . 26601 1 116 . 1 1 31 31 ASP CB C 13 39.760 0.3 . 1 . . . . 30 ASP CB . 26601 1 117 . 1 1 31 31 ASP N N 15 125.486 0.3 . 1 . . . . 30 ASP N . 26601 1 118 . 1 1 32 32 THR H H 1 8.758 0.020 . 1 . . . . 31 THR H . 26601 1 119 . 1 1 32 32 THR C C 13 171.677 0.3 . 1 . . . . 31 THR C . 26601 1 120 . 1 1 32 32 THR CA C 13 62.381 0.3 . 1 . . . . 31 THR CA . 26601 1 121 . 1 1 32 32 THR CB C 13 68.865 0.3 . 1 . . . . 31 THR CB . 26601 1 122 . 1 1 32 32 THR N N 15 126.212 0.3 . 1 . . . . 31 THR N . 26601 1 123 . 1 1 33 33 LEU H H 1 7.852 0.020 . 1 . . . . 32 LEU H . 26601 1 124 . 1 1 33 33 LEU C C 13 173.757 0.3 . 1 . . . . 32 LEU C . 26601 1 125 . 1 1 33 33 LEU CA C 13 53.635 0.3 . 1 . . . . 32 LEU CA . 26601 1 126 . 1 1 33 33 LEU CB C 13 44.599 0.3 . 1 . . . . 32 LEU CB . 26601 1 127 . 1 1 33 33 LEU N N 15 127.548 0.3 . 1 . . . . 32 LEU N . 26601 1 128 . 1 1 34 34 TYR H H 1 9.376 0.020 . 1 . . . . 33 TYR H . 26601 1 129 . 1 1 34 34 TYR C C 13 174.752 0.3 . 1 . . . . 33 TYR C . 26601 1 130 . 1 1 34 34 TYR CA C 13 54.862 0.3 . 1 . . . . 33 TYR CA . 26601 1 131 . 1 1 34 34 TYR CB C 13 41.903 0.3 . 1 . . . . 33 TYR CB . 26601 1 132 . 1 1 34 34 TYR N N 15 124.929 0.3 . 1 . . . . 33 TYR N . 26601 1 133 . 1 1 35 35 TRP H H 1 8.576 0.020 . 1 . . . . 34 TRP H . 26601 1 134 . 1 1 35 35 TRP C C 13 175.536 0.3 . 1 . . . . 34 TRP C . 26601 1 135 . 1 1 35 35 TRP CA C 13 55.959 0.3 . 1 . . . . 34 TRP CA . 26601 1 136 . 1 1 35 35 TRP CB C 13 32.293 0.3 . 1 . . . . 34 TRP CB . 26601 1 137 . 1 1 35 35 TRP N N 15 117.945 0.3 . 1 . . . . 34 TRP N . 26601 1 138 . 1 1 36 36 TYR H H 1 9.994 0.020 . 1 . . . . 35 TYR H . 26601 1 139 . 1 1 36 36 TYR C C 13 174.827 0.3 . 1 . . . . 35 TYR C . 26601 1 140 . 1 1 36 36 TYR CA C 13 56.091 0.3 . 1 . . . . 35 TYR CA . 26601 1 141 . 1 1 36 36 TYR CB C 13 42.594 0.3 . 1 . . . . 35 TYR CB . 26601 1 142 . 1 1 36 36 TYR N N 15 119.945 0.3 . 1 . . . . 35 TYR N . 26601 1 143 . 1 1 37 37 GLN H H 1 9.427 0.020 . 1 . . . . 36 GLN H . 26601 1 144 . 1 1 37 37 GLN C C 13 173.968 0.3 . 1 . . . . 36 GLN C . 26601 1 145 . 1 1 37 37 GLN CA C 13 53.727 0.3 . 1 . . . . 36 GLN CA . 26601 1 146 . 1 1 37 37 GLN CB C 13 32.501 0.3 . 1 . . . . 36 GLN CB . 26601 1 147 . 1 1 37 37 GLN N N 15 122.105 0.3 . 1 . . . . 36 GLN N . 26601 1 148 . 1 1 38 38 GLN H H 1 9.428 0.020 . 1 . . . . 37 GLN H . 26601 1 149 . 1 1 38 38 GLN C C 13 172.612 0.3 . 1 . . . . 37 GLN C . 26601 1 150 . 1 1 38 38 GLN CA C 13 52.148 0.3 . 1 . . . . 37 GLN CA . 26601 1 151 . 1 1 38 38 GLN CB C 13 29.528 0.3 . 1 . . . . 37 GLN CB . 26601 1 152 . 1 1 38 38 GLN N N 15 129.336 0.3 . 1 . . . . 37 GLN N . 26601 1 153 . 1 1 40 40 ARG H H 1 8.451 0.020 . 1 . . . . 39 ARG H . 26601 1 154 . 1 1 40 40 ARG C C 13 176.576 0.3 . 1 . . . . 39 ARG C . 26601 1 155 . 1 1 40 40 ARG CA C 13 57.447 0.3 . 1 . . . . 39 ARG CA . 26601 1 156 . 1 1 40 40 ARG CB C 13 29.044 0.3 . 1 . . . . 39 ARG CB . 26601 1 157 . 1 1 40 40 ARG N N 15 121.300 0.3 . 1 . . . . 39 ARG N . 26601 1 158 . 1 1 41 41 ASP H H 1 8.723 0.020 . 1 . . . . 40 ASP H . 26601 1 159 . 1 1 41 41 ASP C C 13 174.571 0.3 . 1 . . . . 40 ASP C . 26601 1 160 . 1 1 41 41 ASP CA C 13 55.585 0.3 . 1 . . . . 40 ASP CA . 26601 1 161 . 1 1 41 41 ASP CB C 13 38.999 0.3 . 1 . . . . 40 ASP CB . 26601 1 162 . 1 1 41 41 ASP N N 15 119.025 0.3 . 1 . . . . 40 ASP N . 26601 1 163 . 1 1 42 42 GLN H H 1 7.616 0.020 . 1 . . . . 41 GLN H . 26601 1 164 . 1 1 42 42 GLN C C 13 175.264 0.3 . 1 . . . . 41 GLN C . 26601 1 165 . 1 1 42 42 GLN CA C 13 53.531 0.3 . 1 . . . . 41 GLN CA . 26601 1 166 . 1 1 42 42 GLN CB C 13 31.879 0.3 . 1 . . . . 41 GLN CB . 26601 1 167 . 1 1 42 42 GLN N N 15 117.547 0.3 . 1 . . . . 41 GLN N . 26601 1 168 . 1 1 43 43 GLY H H 1 8.220 0.020 . 1 . . . . 42 GLY H . 26601 1 169 . 1 1 43 43 GLY C C 13 171.542 0.3 . 1 . . . . 42 GLY C . 26601 1 170 . 1 1 43 43 GLY CA C 13 43.596 0.3 . 1 . . . . 42 GLY CA . 26601 1 171 . 1 1 43 43 GLY N N 15 106.584 0.3 . 1 . . . . 42 GLY N . 26601 1 172 . 1 1 45 45 GLN H H 1 9.018 0.020 . 1 . . . . 44 GLN H . 26601 1 173 . 1 1 45 45 GLN C C 13 175.144 0.3 . 1 . . . . 44 GLN C . 26601 1 174 . 1 1 45 45 GLN CA C 13 53.257 0.3 . 1 . . . . 44 GLN CA . 26601 1 175 . 1 1 45 45 GLN CB C 13 29.805 0.3 . 1 . . . . 44 GLN CB . 26601 1 176 . 1 1 45 45 GLN N N 15 123.928 0.3 . 1 . . . . 44 GLN N . 26601 1 177 . 1 1 46 46 LEU H H 1 8.862 0.020 . 1 . . . . 45 LEU H . 26601 1 178 . 1 1 46 46 LEU C C 13 175.611 0.3 . 1 . . . . 45 LEU C . 26601 1 179 . 1 1 46 46 LEU CA C 13 56.060 0.3 . 1 . . . . 45 LEU CA . 26601 1 180 . 1 1 46 46 LEU CB C 13 40.728 0.3 . 1 . . . . 45 LEU CB . 26601 1 181 . 1 1 46 46 LEU N N 15 129.956 0.3 . 1 . . . . 45 LEU N . 26601 1 182 . 1 1 47 47 LEU H H 1 9.086 0.020 . 1 . . . . 46 LEU H . 26601 1 183 . 1 1 47 47 LEU C C 13 175.626 0.3 . 1 . . . . 46 LEU C . 26601 1 184 . 1 1 47 47 LEU CA C 13 55.270 0.3 . 1 . . . . 46 LEU CA . 26601 1 185 . 1 1 47 47 LEU CB C 13 43.216 0.3 . 1 . . . . 46 LEU CB . 26601 1 186 . 1 1 47 47 LEU N N 15 125.362 0.3 . 1 . . . . 46 LEU N . 26601 1 187 . 1 1 49 49 TYR H H 1 7.582 0.020 . 1 . . . . 48 TYR H . 26601 1 188 . 1 1 49 49 TYR C C 13 172.205 0.3 . 1 . . . . 48 TYR C . 26601 1 189 . 1 1 49 49 TYR CA C 13 55.215 0.3 . 1 . . . . 48 TYR CA . 26601 1 190 . 1 1 49 49 TYR CB C 13 41.142 0.3 . 1 . . . . 48 TYR CB . 26601 1 191 . 1 1 49 49 TYR N N 15 121.645 0.3 . 1 . . . . 48 TYR N . 26601 1 192 . 1 1 50 50 PHE H H 1 9.258 0.020 . 1 . . . . 49 PHE H . 26601 1 193 . 1 1 50 50 PHE C C 13 175.279 0.3 . 1 . . . . 49 PHE C . 26601 1 194 . 1 1 50 50 PHE CA C 13 56.154 0.3 . 1 . . . . 49 PHE CA . 26601 1 195 . 1 1 50 50 PHE CB C 13 44.253 0.3 . 1 . . . . 49 PHE CB . 26601 1 196 . 1 1 50 50 PHE N N 15 119.963 0.3 . 1 . . . . 49 PHE N . 26601 1 197 . 1 1 51 51 ARG H H 1 8.357 0.020 . 1 . . . . 50 ARG H . 26601 1 198 . 1 1 51 51 ARG C C 13 176.545 0.3 . 1 . . . . 50 ARG C . 26601 1 199 . 1 1 51 51 ARG CA C 13 55.019 0.3 . 1 . . . . 50 ARG CA . 26601 1 200 . 1 1 51 51 ARG CB C 13 30.219 0.3 . 1 . . . . 50 ARG CB . 26601 1 201 . 1 1 51 51 ARG N N 15 120.087 0.3 . 1 . . . . 50 ARG N . 26601 1 202 . 1 1 52 52 ASP H H 1 9.501 0.020 . 1 . . . . 51 ASP H . 26601 1 203 . 1 1 52 52 ASP C C 13 175.430 0.3 . 1 . . . . 51 ASP C . 26601 1 204 . 1 1 52 52 ASP CA C 13 56.651 0.3 . 1 . . . . 51 ASP CA . 26601 1 205 . 1 1 52 52 ASP CB C 13 39.276 0.3 . 1 . . . . 51 ASP CB . 26601 1 206 . 1 1 52 52 ASP N N 15 126.531 0.3 . 1 . . . . 51 ASP N . 26601 1 207 . 1 1 53 53 GLU H H 1 9.635 0.020 . 1 . . . . 52 GLU H . 26601 1 208 . 1 1 53 53 GLU C C 13 175.279 0.3 . 1 . . . . 52 GLU C . 26601 1 209 . 1 1 53 53 GLU CA C 13 56.470 0.3 . 1 . . . . 52 GLU CA . 26601 1 210 . 1 1 53 53 GLU CB C 13 28.560 0.3 . 1 . . . . 52 GLU CB . 26601 1 211 . 1 1 53 53 GLU N N 15 126.097 0.3 . 1 . . . . 52 GLU N . 26601 1 212 . 1 1 54 54 ALA H H 1 7.927 0.020 . 1 . . . . 53 ALA H . 26601 1 213 . 1 1 54 54 ALA C C 13 176.651 0.3 . 1 . . . . 53 ALA C . 26601 1 214 . 1 1 54 54 ALA CA C 13 50.948 0.3 . 1 . . . . 53 ALA CA . 26601 1 215 . 1 1 54 54 ALA CB C 13 19.573 0.3 . 1 . . . . 53 ALA CB . 26601 1 216 . 1 1 54 54 ALA N N 15 125.017 0.3 . 1 . . . . 53 ALA N . 26601 1 217 . 1 1 55 55 VAL H H 1 8.354 0.020 . 1 . . . . 54 VAL H . 26601 1 218 . 1 1 55 55 VAL C C 13 176.334 0.3 . 1 . . . . 54 VAL C . 26601 1 219 . 1 1 55 55 VAL CA C 13 62.105 0.3 . 1 . . . . 54 VAL CA . 26601 1 220 . 1 1 55 55 VAL CB C 13 31.187 0.3 . 1 . . . . 54 VAL CB . 26601 1 221 . 1 1 55 55 VAL N N 15 123.245 0.3 . 1 . . . . 54 VAL N . 26601 1 222 . 1 1 56 56 ILE H H 1 8.315 0.020 . 1 . . . . 55 ILE H . 26601 1 223 . 1 1 56 56 ILE C C 13 175.792 0.3 . 1 . . . . 55 ILE C . 26601 1 224 . 1 1 56 56 ILE CA C 13 59.756 0.3 . 1 . . . . 55 ILE CA . 26601 1 225 . 1 1 56 56 ILE CB C 13 34.644 0.3 . 1 . . . . 55 ILE CB . 26601 1 226 . 1 1 56 56 ILE N N 15 129.664 0.3 . 1 . . . . 55 ILE N . 26601 1 227 . 1 1 57 57 ASP H H 1 6.326 0.020 . 1 . . . . 56 ASP H . 26601 1 228 . 1 1 57 57 ASP C C 13 174.933 0.3 . 1 . . . . 56 ASP C . 26601 1 229 . 1 1 57 57 ASP CA C 13 53.140 0.3 . 1 . . . . 56 ASP CA . 26601 1 230 . 1 1 57 57 ASP CB C 13 42.732 0.3 . 1 . . . . 56 ASP CB . 26601 1 231 . 1 1 57 57 ASP N N 15 117.218 0.3 . 1 . . . . 56 ASP N . 26601 1 232 . 1 1 58 58 ASN H H 1 8.479 0.020 . 1 . . . . 57 ASN H . 26601 1 233 . 1 1 58 58 ASN CA C 13 51.603 0.3 . 1 . . . . 57 ASN CA . 26601 1 234 . 1 1 58 58 ASN CB C 13 37.850 0.3 . 1 . . . . 57 ASN CB . 26601 1 235 . 1 1 58 58 ASN N N 15 124.229 0.3 . 1 . . . . 57 ASN N . 26601 1 236 . 1 1 59 59 SER H H 1 8.650 0.020 . 1 . . . . 58 SER H . 26601 1 237 . 1 1 59 59 SER C C 13 175.686 0.3 . 1 . . . . 58 SER C . 26601 1 238 . 1 1 59 59 SER CA C 13 61.126 0.3 . 1 . . . . 58 SER CA . 26601 1 239 . 1 1 59 59 SER CB C 13 62.297 0.3 . 1 . . . . 58 SER CB . 26601 1 240 . 1 1 59 59 SER N N 15 118.715 0.3 . 1 . . . . 58 SER N . 26601 1 241 . 1 1 60 60 GLN H H 1 8.551 0.020 . 1 . . . . 59 GLN H . 26601 1 242 . 1 1 60 60 GLN C C 13 175.430 0.3 . 1 . . . . 59 GLN C . 26601 1 243 . 1 1 60 60 GLN CA C 13 54.329 0.3 . 1 . . . . 59 GLN CA . 26601 1 244 . 1 1 60 60 GLN CB C 13 27.454 0.3 . 1 . . . . 59 GLN CB . 26601 1 245 . 1 1 60 60 GLN N N 15 119.910 0.3 . 1 . . . . 59 GLN N . 26601 1 246 . 1 1 61 61 LEU H H 1 7.327 0.020 . 1 . . . . 60 LEU H . 26601 1 247 . 1 1 61 61 LEU C C 13 176.259 0.3 . 1 . . . . 60 LEU C . 26601 1 248 . 1 1 61 61 LEU CA C 13 52.553 0.3 . 1 . . . . 60 LEU CA . 26601 1 249 . 1 1 61 61 LEU CB C 13 41.004 0.3 . 1 . . . . 60 LEU CB . 26601 1 250 . 1 1 61 61 LEU N N 15 123.397 0.3 . 1 . . . . 60 LEU N . 26601 1 251 . 1 1 65 65 ARG H H 1 7.740 0.020 . 1 . . . . 64 ARG H . 26601 1 252 . 1 1 65 65 ARG C C 13 175.415 0.3 . 1 . . . . 64 ARG C . 26601 1 253 . 1 1 65 65 ARG CA C 13 57.184 0.3 . 1 . . . . 64 ARG CA . 26601 1 254 . 1 1 65 65 ARG CB C 13 30.012 0.3 . 1 . . . . 64 ARG CB . 26601 1 255 . 1 1 65 65 ARG N N 15 116.967 0.3 . 1 . . . . 64 ARG N . 26601 1 256 . 1 1 66 66 PHE H H 1 7.982 0.020 . 1 . . . . 65 PHE H . 26601 1 257 . 1 1 66 66 PHE C C 13 174.873 0.3 . 1 . . . . 65 PHE C . 26601 1 258 . 1 1 66 66 PHE CA C 13 55.332 0.3 . 1 . . . . 65 PHE CA . 26601 1 259 . 1 1 66 66 PHE CB C 13 41.004 0.3 . 1 . . . . 65 PHE CB . 26601 1 260 . 1 1 66 66 PHE N N 15 119.795 0.3 . 1 . . . . 65 PHE N . 26601 1 261 . 1 1 67 67 SER H H 1 8.735 0.020 . 1 . . . . 66 SER H . 26601 1 262 . 1 1 67 67 SER C C 13 171.858 0.3 . 1 . . . . 66 SER C . 26601 1 263 . 1 1 67 67 SER CA C 13 56.569 0.3 . 1 . . . . 66 SER CA . 26601 1 264 . 1 1 67 67 SER CB C 13 64.717 0.3 . 1 . . . . 66 SER CB . 26601 1 265 . 1 1 67 67 SER N N 15 113.214 0.3 . 1 . . . . 66 SER N . 26601 1 266 . 1 1 68 68 ALA H H 1 8.667 0.020 . 1 . . . . 67 ALA H . 26601 1 267 . 1 1 68 68 ALA C C 13 175.355 0.3 . 1 . . . . 67 ALA C . 26601 1 268 . 1 1 68 68 ALA CA C 13 50.492 0.3 . 1 . . . . 67 ALA CA . 26601 1 269 . 1 1 68 68 ALA CB C 13 22.615 0.3 . 1 . . . . 67 ALA CB . 26601 1 270 . 1 1 68 68 ALA N N 15 124.566 0.3 . 1 . . . . 67 ALA N . 26601 1 271 . 1 1 69 69 VAL H H 1 8.431 0.020 . 1 . . . . 68 VAL H . 26601 1 272 . 1 1 69 69 VAL C C 13 175.445 0.3 . 1 . . . . 68 VAL C . 26601 1 273 . 1 1 69 69 VAL CA C 13 59.061 0.3 . 1 . . . . 68 VAL CA . 26601 1 274 . 1 1 69 69 VAL CB C 13 35.957 0.3 . 1 . . . . 68 VAL CB . 26601 1 275 . 1 1 69 69 VAL N N 15 113.710 0.3 . 1 . . . . 68 VAL N . 26601 1 276 . 1 1 70 70 ARG H H 1 9.335 0.020 . 1 . . . . 69 ARG H . 26601 1 277 . 1 1 70 70 ARG C C 13 173.983 0.3 . 1 . . . . 69 ARG C . 26601 1 278 . 1 1 70 70 ARG CA C 13 53.414 0.3 . 1 . . . . 69 ARG CA . 26601 1 279 . 1 1 70 70 ARG CB C 13 28.698 0.3 . 1 . . . . 69 ARG CB . 26601 1 280 . 1 1 70 70 ARG N N 15 128.434 0.3 . 1 . . . . 69 ARG N . 26601 1 281 . 1 1 72 72 LYS H H 1 8.723 0.020 . 1 . . . . 71 LYS H . 26601 1 282 . 1 1 72 72 LYS C C 13 176.734 0.3 . 1 . . . . 71 LYS C . 26601 1 283 . 1 1 72 72 LYS CA C 13 53.621 0.3 . 1 . . . . 71 LYS CA . 26601 1 284 . 1 1 72 72 LYS CB C 13 31.256 0.3 . 1 . . . . 71 LYS CB . 26601 1 285 . 1 1 72 72 LYS N N 15 115.852 0.3 . 1 . . . . 71 LYS N . 26601 1 286 . 1 1 73 73 GLY H H 1 7.734 0.020 . 1 . . . . 72 GLY H . 26601 1 287 . 1 1 73 73 GLY C C 13 173.118 0.3 . 1 . . . . 72 GLY C . 26601 1 288 . 1 1 73 73 GLY CA C 13 44.913 0.3 . 1 . . . . 72 GLY CA . 26601 1 289 . 1 1 73 73 GLY N N 15 105.856 0.3 . 1 . . . . 72 GLY N . 26601 1 290 . 1 1 74 74 THR H H 1 7.846 0.020 . 1 . . . . 73 THR H . 26601 1 291 . 1 1 74 74 THR C C 13 174.556 0.3 . 1 . . . . 73 THR C . 26601 1 292 . 1 1 74 74 THR CA C 13 58.535 0.3 . 1 . . . . 73 THR CA . 26601 1 293 . 1 1 74 74 THR CB C 13 68.104 0.3 . 1 . . . . 73 THR CB . 26601 1 294 . 1 1 74 74 THR N N 15 110.259 0.3 . 1 . . . . 73 THR N . 26601 1 295 . 1 1 75 75 ASN H H 1 8.959 0.020 . 1 . . . . 74 ASN H . 26601 1 296 . 1 1 75 75 ASN C C 13 173.682 0.3 . 1 . . . . 74 ASN C . 26601 1 297 . 1 1 75 75 ASN CA C 13 52.870 0.3 . 1 . . . . 74 ASN CA . 26601 1 298 . 1 1 75 75 ASN CB C 13 38.723 0.3 . 1 . . . . 74 ASN CB . 26601 1 299 . 1 1 75 75 ASN N N 15 123.088 0.3 . 1 . . . . 74 ASN N . 26601 1 300 . 1 1 76 76 SER H H 1 8.708 0.020 . 1 . . . . 75 SER H . 26601 1 301 . 1 1 76 76 SER C C 13 172.763 0.3 . 1 . . . . 75 SER C . 26601 1 302 . 1 1 76 76 SER CA C 13 54.781 0.3 . 1 . . . . 75 SER CA . 26601 1 303 . 1 1 76 76 SER CB C 13 67.205 0.3 . 1 . . . . 75 SER CB . 26601 1 304 . 1 1 76 76 SER N N 15 111.614 0.3 . 1 . . . . 75 SER N . 26601 1 305 . 1 1 77 77 THR H H 1 7.807 0.020 . 1 . . . . 76 THR H . 26601 1 306 . 1 1 77 77 THR C C 13 172.762 0.3 . 1 . . . . 76 THR C . 26601 1 307 . 1 1 77 77 THR CA C 13 60.226 0.3 . 1 . . . . 76 THR CA . 26601 1 308 . 1 1 77 77 THR CB C 13 70.662 0.3 . 1 . . . . 76 THR CB . 26601 1 309 . 1 1 77 77 THR N N 15 122.415 0.3 . 1 . . . . 76 THR N . 26601 1 310 . 1 1 78 78 LEU H H 1 8.558 0.020 . 1 . . . . 77 LEU H . 26601 1 311 . 1 1 78 78 LEU C C 13 172.808 0.3 . 1 . . . . 77 LEU C . 26601 1 312 . 1 1 78 78 LEU CA C 13 52.670 0.3 . 1 . . . . 77 LEU CA . 26601 1 313 . 1 1 78 78 LEU CB C 13 41.142 0.3 . 1 . . . . 77 LEU CB . 26601 1 314 . 1 1 78 78 LEU N N 15 130.921 0.3 . 1 . . . . 77 LEU N . 26601 1 315 . 1 1 79 79 LYS H H 1 9.007 0.020 . 1 . . . . 78 LYS H . 26601 1 316 . 1 1 79 79 LYS C C 13 174.496 0.3 . 1 . . . . 78 LYS C . 26601 1 317 . 1 1 79 79 LYS CA C 13 53.845 0.3 . 1 . . . . 78 LYS CA . 26601 1 318 . 1 1 79 79 LYS CB C 13 34.436 0.3 . 1 . . . . 78 LYS CB . 26601 1 319 . 1 1 79 79 LYS N N 15 127.672 0.3 . 1 . . . . 78 LYS N . 26601 1 320 . 1 1 80 80 ILE H H 1 8.113 0.020 . 1 . . . . 79 ILE H . 26601 1 321 . 1 1 80 80 ILE C C 13 175.264 0.3 . 1 . . . . 79 ILE C . 26601 1 322 . 1 1 80 80 ILE CA C 13 59.912 0.3 . 1 . . . . 79 ILE CA . 26601 1 323 . 1 1 80 80 ILE CB C 13 38.792 0.3 . 1 . . . . 79 ILE CB . 26601 1 324 . 1 1 80 80 ILE N N 15 124.288 0.3 . 1 . . . . 79 ILE N . 26601 1 325 . 1 1 81 81 GLN H H 1 8.445 0.020 . 1 . . . . 80 GLN H . 26601 1 326 . 1 1 81 81 GLN C C 13 174.677 0.3 . 1 . . . . 80 GLN C . 26601 1 327 . 1 1 81 81 GLN CA C 13 53.589 0.3 . 1 . . . . 80 GLN CA . 26601 1 328 . 1 1 81 81 GLN CB C 13 30.012 0.3 . 1 . . . . 80 GLN CB . 26601 1 329 . 1 1 81 81 GLN N N 15 125.406 0.3 . 1 . . . . 80 GLN N . 26601 1 330 . 1 1 82 82 SER H H 1 7.731 0.020 . 1 . . . . 81 SER H . 26601 1 331 . 1 1 82 82 SER C C 13 173.938 0.3 . 1 . . . . 81 SER C . 26601 1 332 . 1 1 82 82 SER CA C 13 56.714 0.3 . 1 . . . . 81 SER CA . 26601 1 333 . 1 1 82 82 SER CB C 13 60.983 0.3 . 1 . . . . 81 SER CB . 26601 1 334 . 1 1 82 82 SER N N 15 115.011 0.3 . 1 . . . . 81 SER N . 26601 1 335 . 1 1 83 83 ALA H H 1 8.462 0.020 . 1 . . . . 82 ALA H . 26601 1 336 . 1 1 83 83 ALA C C 13 177.028 0.3 . 1 . . . . 82 ALA C . 26601 1 337 . 1 1 83 83 ALA CA C 13 52.554 0.3 . 1 . . . . 82 ALA CA . 26601 1 338 . 1 1 83 83 ALA CB C 13 18.882 0.3 . 1 . . . . 82 ALA CB . 26601 1 339 . 1 1 83 83 ALA N N 15 121.654 0.3 . 1 . . . . 82 ALA N . 26601 1 340 . 1 1 84 84 LYS H H 1 8.998 0.020 . 1 . . . . 83 LYS H . 26601 1 341 . 1 1 84 84 LYS C C 13 177.992 0.3 . 1 . . . . 83 LYS C . 26601 1 342 . 1 1 84 84 LYS CA C 13 53.178 0.3 . 1 . . . . 83 LYS CA . 26601 1 343 . 1 1 84 84 LYS CB C 13 35.266 0.3 . 1 . . . . 83 LYS CB . 26601 1 344 . 1 1 84 84 LYS N N 15 121.485 0.3 . 1 . . . . 83 LYS N . 26601 1 345 . 1 1 85 85 GLN H H 1 9.613 0.020 . 1 . . . . 84 GLN H . 26601 1 346 . 1 1 85 85 GLN C C 13 179.062 0.3 . 1 . . . . 84 GLN C . 26601 1 347 . 1 1 85 85 GLN CA C 13 59.912 0.3 . 1 . . . . 84 GLN CA . 26601 1 348 . 1 1 85 85 GLN CB C 13 28.353 0.3 . 1 . . . . 84 GLN CB . 26601 1 349 . 1 1 85 85 GLN N N 15 123.203 0.3 . 1 . . . . 84 GLN N . 26601 1 350 . 1 1 87 87 ASP H H 1 8.323 0.020 . 1 . . . . 86 ASP H . 26601 1 351 . 1 1 87 87 ASP C C 13 177.224 0.3 . 1 . . . . 86 ASP C . 26601 1 352 . 1 1 87 87 ASP CA C 13 54.289 0.3 . 1 . . . . 86 ASP CA . 26601 1 353 . 1 1 87 87 ASP CB C 13 40.036 0.3 . 1 . . . . 86 ASP CB . 26601 1 354 . 1 1 87 87 ASP N N 15 120.255 0.3 . 1 . . . . 86 ASP N . 26601 1 355 . 1 1 88 88 THR H H 1 7.801 0.020 . 1 . . . . 87 THR H . 26601 1 356 . 1 1 88 88 THR C C 13 174.104 0.3 . 1 . . . . 87 THR C . 26601 1 357 . 1 1 88 88 THR CA C 13 64.845 0.3 . 1 . . . . 87 THR CA . 26601 1 358 . 1 1 88 88 THR CB C 13 69.999 0.3 . 1 . . . . 87 THR CB . 26601 1 359 . 1 1 88 88 THR N N 15 120.361 0.3 . 1 . . . . 87 THR N . 26601 1 360 . 1 1 89 89 ALA H H 1 8.940 0.020 . 1 . . . . 88 ALA H . 26601 1 361 . 1 1 89 89 ALA C C 13 175.114 0.3 . 1 . . . . 88 ALA C . 26601 1 362 . 1 1 89 89 ALA CA C 13 51.864 0.3 . 1 . . . . 88 ALA CA . 26601 1 363 . 1 1 89 89 ALA CB C 13 18.674 0.3 . 1 . . . . 88 ALA CB . 26601 1 364 . 1 1 89 89 ALA N N 15 130.770 0.3 . 1 . . . . 88 ALA N . 26601 1 365 . 1 1 90 90 THR H H 1 7.530 0.020 . 1 . . . . 89 THR H . 26601 1 366 . 1 1 90 90 THR C C 13 173.215 0.3 . 1 . . . . 89 THR C . 26601 1 367 . 1 1 90 90 THR CA C 13 62.289 0.3 . 1 . . . . 89 THR CA . 26601 1 368 . 1 1 90 90 THR CB C 13 68.173 0.3 . 1 . . . . 89 THR CB . 26601 1 369 . 1 1 90 90 THR N N 15 115.197 0.3 . 1 . . . . 89 THR N . 26601 1 370 . 1 1 91 91 TYR H H 1 9.446 0.020 . 1 . . . . 90 TYR H . 26601 1 371 . 1 1 91 91 TYR C C 13 176.018 0.3 . 1 . . . . 90 TYR C . 26601 1 372 . 1 1 91 91 TYR CA C 13 57.290 0.3 . 1 . . . . 90 TYR CA . 26601 1 373 . 1 1 91 91 TYR CB C 13 38.170 0.3 . 1 . . . . 90 TYR CB . 26601 1 374 . 1 1 91 91 TYR N N 15 127.752 0.3 . 1 . . . . 90 TYR N . 26601 1 375 . 1 1 92 92 LEU H H 1 9.290 0.020 . 1 . . . . 91 LEU H . 26601 1 376 . 1 1 92 92 LEU C C 13 173.290 0.3 . 1 . . . . 91 LEU C . 26601 1 377 . 1 1 92 92 LEU CA C 13 53.649 0.3 . 1 . . . . 91 LEU CA . 26601 1 378 . 1 1 92 92 LEU CB C 13 44.876 0.3 . 1 . . . . 91 LEU CB . 26601 1 379 . 1 1 92 92 LEU N N 15 127.920 0.3 . 1 . . . . 91 LEU N . 26601 1 380 . 1 1 93 93 CYS H H 1 7.938 0.020 . 1 . . . . 92 CYS H . 26601 1 381 . 1 1 93 93 CYS C C 13 171.120 0.3 . 1 . . . . 92 CYS C . 26601 1 382 . 1 1 93 93 CYS CA C 13 50.976 0.3 . 1 . . . . 92 CYS CA . 26601 1 383 . 1 1 93 93 CYS CB C 13 43.424 0.3 . 1 . . . . 92 CYS CB . 26601 1 384 . 1 1 93 93 CYS N N 15 121.999 0.3 . 1 . . . . 92 CYS N . 26601 1 385 . 1 1 94 94 ALA H H 1 8.905 0.020 . 1 . . . . 93 ALA H . 26601 1 386 . 1 1 94 94 ALA C C 13 175.084 0.3 . 1 . . . . 93 ALA C . 26601 1 387 . 1 1 94 94 ALA CA C 13 49.265 0.3 . 1 . . . . 93 ALA CA . 26601 1 388 . 1 1 94 94 ALA CB C 13 22.822 0.3 . 1 . . . . 93 ALA CB . 26601 1 389 . 1 1 94 94 ALA N N 15 129.938 0.3 . 1 . . . . 93 ALA N . 26601 1 390 . 1 1 95 95 SER H H 1 9.289 0.020 . 1 . . . . 94 SER H . 26601 1 391 . 1 1 95 95 SER C C 13 172.205 0.3 . 1 . . . . 94 SER C . 26601 1 392 . 1 1 95 95 SER CA C 13 57.634 0.3 . 1 . . . . 94 SER CA . 26601 1 393 . 1 1 95 95 SER CB C 13 67.413 0.3 . 1 . . . . 94 SER CB . 26601 1 394 . 1 1 95 95 SER N N 15 116.091 0.3 . 1 . . . . 94 SER N . 26601 1 395 . 1 1 96 96 SER H H 1 9.010 0.020 . 1 . . . . 95 SER H . 26601 1 396 . 1 1 96 96 SER C C 13 171.512 0.3 . 1 . . . . 95 SER C . 26601 1 397 . 1 1 96 96 SER CA C 13 57.319 0.3 . 1 . . . . 95 SER CA . 26601 1 398 . 1 1 96 96 SER CB C 13 66.583 0.3 . 1 . . . . 95 SER CB . 26601 1 399 . 1 1 96 96 SER N N 15 114.258 0.3 . 1 . . . . 95 SER N . 26601 1 400 . 1 1 97 97 SER H H 1 8.288 0.020 . 1 . . . . 96 SER H . 26601 1 401 . 1 1 97 97 SER C C 13 175.807 0.3 . 1 . . . . 96 SER C . 26601 1 402 . 1 1 97 97 SER CA C 13 55.532 0.3 . 1 . . . . 96 SER CA . 26601 1 403 . 1 1 97 97 SER CB C 13 61.398 0.3 . 1 . . . . 96 SER CB . 26601 1 404 . 1 1 97 97 SER N N 15 114.320 0.3 . 1 . . . . 96 SER N . 26601 1 405 . 1 1 98 98 GLY H H 1 9.155 0.020 . 1 . . . . 97 GLY H . 26601 1 406 . 1 1 98 98 GLY C C 13 173.456 0.3 . 1 . . . . 97 GLY C . 26601 1 407 . 1 1 98 98 GLY CA C 13 43.431 0.3 . 1 . . . . 97 GLY CA . 26601 1 408 . 1 1 98 98 GLY N N 15 117.892 0.3 . 1 . . . . 97 GLY N . 26601 1 409 . 1 1 99 99 VAL H H 1 8.190 0.020 . 1 . . . . 98 VAL H . 26601 1 410 . 1 1 99 99 VAL C C 13 177.374 0.3 . 1 . . . . 98 VAL C . 26601 1 411 . 1 1 99 99 VAL CA C 13 61.955 0.3 . 1 . . . . 98 VAL CA . 26601 1 412 . 1 1 99 99 VAL CB C 13 31.395 0.3 . 1 . . . . 98 VAL CB . 26601 1 413 . 1 1 99 99 VAL N N 15 120.237 0.3 . 1 . . . . 98 VAL N . 26601 1 414 . 1 1 100 100 GLY H H 1 8.554 0.020 . 1 . . . . 99 GLY H . 26601 1 415 . 1 1 100 100 GLY C C 13 174.330 0.3 . 1 . . . . 99 GLY C . 26601 1 416 . 1 1 100 100 GLY CA C 13 45.172 0.3 . 1 . . . . 99 GLY CA . 26601 1 417 . 1 1 100 100 GLY N N 15 113.656 0.3 . 1 . . . . 99 GLY N . 26601 1 418 . 1 1 101 101 THR H H 1 7.174 0.020 . 1 . . . . 100 THR H . 26601 1 419 . 1 1 101 101 THR C C 13 173.561 0.3 . 1 . . . . 100 THR C . 26601 1 420 . 1 1 101 101 THR CA C 13 59.736 0.3 . 1 . . . . 100 THR CA . 26601 1 421 . 1 1 101 101 THR CB C 13 68.657 0.3 . 1 . . . . 100 THR CB . 26601 1 422 . 1 1 101 101 THR N N 15 110.563 0.3 . 1 . . . . 100 THR N . 26601 1 423 . 1 1 102 102 GLU H H 1 8.068 0.020 . 1 . . . . 101 GLU H . 26601 1 424 . 1 1 102 102 GLU C C 13 174.435 0.3 . 1 . . . . 101 GLU C . 26601 1 425 . 1 1 102 102 GLU CA C 13 56.937 0.3 . 1 . . . . 101 GLU CA . 26601 1 426 . 1 1 102 102 GLU CB C 13 28.870 0.3 . 1 . . . . 101 GLU CB . 26601 1 427 . 1 1 102 102 GLU N N 15 121.298 0.3 . 1 . . . . 101 GLU N . 26601 1 428 . 1 1 103 103 VAL H H 1 7.805 0.020 . 1 . . . . 102 VAL H . 26601 1 429 . 1 1 103 103 VAL C C 13 175.159 0.3 . 1 . . . . 102 VAL C . 26601 1 430 . 1 1 103 103 VAL CA C 13 61.048 0.3 . 1 . . . . 102 VAL CA . 26601 1 431 . 1 1 103 103 VAL CB C 13 31.602 0.3 . 1 . . . . 102 VAL CB . 26601 1 432 . 1 1 103 103 VAL N N 15 125.088 0.3 . 1 . . . . 102 VAL N . 26601 1 433 . 1 1 104 104 PHE H H 1 8.988 0.020 . 1 . . . . 103 PHE H . 26601 1 434 . 1 1 104 104 PHE C C 13 174.511 0.3 . 1 . . . . 103 PHE C . 26601 1 435 . 1 1 104 104 PHE CA C 13 56.507 0.3 . 1 . . . . 103 PHE CA . 26601 1 436 . 1 1 104 104 PHE CB C 13 39.621 0.3 . 1 . . . . 103 PHE CB . 26601 1 437 . 1 1 104 104 PHE N N 15 128.230 0.3 . 1 . . . . 103 PHE N . 26601 1 438 . 1 1 105 105 PHE H H 1 8.897 0.020 . 1 . . . . 104 PHE H . 26601 1 439 . 1 1 105 105 PHE C C 13 178.821 0.3 . 1 . . . . 104 PHE C . 26601 1 440 . 1 1 105 105 PHE CA C 13 58.095 0.3 . 1 . . . . 104 PHE CA . 26601 1 441 . 1 1 105 105 PHE CB C 13 41.281 0.3 . 1 . . . . 104 PHE CB . 26601 1 442 . 1 1 105 105 PHE N N 15 120.308 0.3 . 1 . . . . 104 PHE N . 26601 1 443 . 1 1 106 106 GLY H H 1 9.124 0.020 . 1 . . . . 105 GLY H . 26601 1 444 . 1 1 106 106 GLY C C 13 172.687 0.3 . 1 . . . . 105 GLY C . 26601 1 445 . 1 1 106 106 GLY CA C 13 43.446 0.3 . 1 . . . . 105 GLY CA . 26601 1 446 . 1 1 106 106 GLY N N 15 109.263 0.3 . 1 . . . . 105 GLY N . 26601 1 447 . 1 1 107 107 LYS H H 1 8.850 0.020 . 1 . . . . 106 LYS H . 26601 1 448 . 1 1 107 107 LYS C C 13 177.932 0.3 . 1 . . . . 106 LYS C . 26601 1 449 . 1 1 107 107 LYS CA C 13 56.085 0.3 . 1 . . . . 106 LYS CA . 26601 1 450 . 1 1 107 107 LYS CB C 13 31.612 0.3 . 1 . . . . 106 LYS CB . 26601 1 451 . 1 1 107 107 LYS N N 15 115.329 0.3 . 1 . . . . 106 LYS N . 26601 1 452 . 1 1 108 108 GLY H H 1 7.099 0.020 . 1 . . . . 107 GLY H . 26601 1 453 . 1 1 108 108 GLY C C 13 172.114 0.3 . 1 . . . . 107 GLY C . 26601 1 454 . 1 1 108 108 GLY CA C 13 44.210 0.3 . 1 . . . . 107 GLY CA . 26601 1 455 . 1 1 108 108 GLY N N 15 105.021 0.3 . 1 . . . . 107 GLY N . 26601 1 456 . 1 1 109 109 THR H H 1 8.194 0.020 . 1 . . . . 108 THR H . 26601 1 457 . 1 1 109 109 THR C C 13 174.240 0.3 . 1 . . . . 108 THR C . 26601 1 458 . 1 1 109 109 THR CA C 13 61.122 0.3 . 1 . . . . 108 THR CA . 26601 1 459 . 1 1 109 109 THR CB C 13 71.233 0.3 . 1 . . . . 108 THR CB . 26601 1 460 . 1 1 109 109 THR N N 15 118.228 0.3 . 1 . . . . 108 THR N . 26601 1 461 . 1 1 110 110 ARG H H 1 7.964 0.020 . 1 . . . . 109 ARG H . 26601 1 462 . 1 1 110 110 ARG C C 13 172.054 0.3 . 1 . . . . 109 ARG C . 26601 1 463 . 1 1 110 110 ARG CA C 13 55.567 0.3 . 1 . . . . 109 ARG CA . 26601 1 464 . 1 1 110 110 ARG CB C 13 28.560 0.3 . 1 . . . . 109 ARG CB . 26601 1 465 . 1 1 110 110 ARG N N 15 129.177 0.3 . 1 . . . . 109 ARG N . 26601 1 466 . 1 1 111 111 LEU H H 1 8.570 0.020 . 1 . . . . 110 LEU H . 26601 1 467 . 1 1 111 111 LEU C C 13 177.194 0.3 . 1 . . . . 110 LEU C . 26601 1 468 . 1 1 111 111 LEU CA C 13 52.631 0.3 . 1 . . . . 110 LEU CA . 26601 1 469 . 1 1 111 111 LEU CB C 13 43.908 0.3 . 1 . . . . 110 LEU CB . 26601 1 470 . 1 1 111 111 LEU N N 15 127.664 0.3 . 1 . . . . 110 LEU N . 26601 1 471 . 1 1 112 112 THR H H 1 8.768 0.020 . 1 . . . . 111 THR H . 26601 1 472 . 1 1 112 112 THR C C 13 171.934 0.3 . 1 . . . . 111 THR C . 26601 1 473 . 1 1 112 112 THR CA C 13 63.010 0.3 . 1 . . . . 111 THR CA . 26601 1 474 . 1 1 112 112 THR CB C 13 68.865 0.3 . 1 . . . . 111 THR CB . 26601 1 475 . 1 1 112 112 THR N N 15 123.990 0.3 . 1 . . . . 111 THR N . 26601 1 476 . 1 1 113 113 VAL H H 1 8.260 0.020 . 1 . . . . 112 VAL H . 26601 1 477 . 1 1 113 113 VAL C C 13 175.279 0.3 . 1 . . . . 112 VAL C . 26601 1 478 . 1 1 113 113 VAL CA C 13 59.560 0.3 . 1 . . . . 112 VAL CA . 26601 1 479 . 1 1 113 113 VAL CB C 13 31.326 0.3 . 1 . . . . 112 VAL CB . 26601 1 480 . 1 1 113 113 VAL N N 15 128.796 0.3 . 1 . . . . 112 VAL N . 26601 1 481 . 1 1 114 114 VAL H H 1 8.916 0.020 . 1 . . . . 113 VAL H . 26601 1 482 . 1 1 114 114 VAL C C 13 175.279 0.3 . 1 . . . . 113 VAL C . 26601 1 483 . 1 1 114 114 VAL CA C 13 57.807 0.3 . 1 . . . . 113 VAL CA . 26601 1 484 . 1 1 114 114 VAL CB C 13 33.192 0.3 . 1 . . . . 113 VAL CB . 26601 1 485 . 1 1 114 114 VAL N N 15 119.627 0.3 . 1 . . . . 113 VAL N . 26601 1 486 . 1 1 115 115 GLU H H 1 8.954 0.020 . 1 . . . . 114 GLU H . 26601 1 487 . 1 1 115 115 GLU C C 13 176.591 0.3 . 1 . . . . 114 GLU C . 26601 1 488 . 1 1 115 115 GLU CA C 13 58.550 0.3 . 1 . . . . 114 GLU CA . 26601 1 489 . 1 1 115 115 GLU CB C 13 29.182 0.3 . 1 . . . . 114 GLU CB . 26601 1 490 . 1 1 115 115 GLU N N 15 122.955 0.3 . 1 . . . . 114 GLU N . 26601 1 491 . 1 1 116 116 ASP H H 1 7.774 0.020 . 1 . . . . 115 ASP H . 26601 1 492 . 1 1 116 116 ASP C C 13 176.425 0.3 . 1 . . . . 115 ASP C . 26601 1 493 . 1 1 116 116 ASP CA C 13 52.529 0.3 . 1 . . . . 115 ASP CA . 26601 1 494 . 1 1 116 116 ASP CB C 13 42.525 0.3 . 1 . . . . 115 ASP CB . 26601 1 495 . 1 1 116 116 ASP N N 15 116.728 0.3 . 1 . . . . 115 ASP N . 26601 1 496 . 1 1 117 117 LEU H H 1 8.801 0.020 . 1 . . . . 116 LEU H . 26601 1 497 . 1 1 117 117 LEU C C 13 177.721 0.3 . 1 . . . . 116 LEU C . 26601 1 498 . 1 1 117 117 LEU CA C 13 56.631 0.3 . 1 . . . . 116 LEU CA . 26601 1 499 . 1 1 117 117 LEU CB C 13 41.142 0.3 . 1 . . . . 116 LEU CB . 26601 1 500 . 1 1 117 117 LEU N N 15 127.619 0.3 . 1 . . . . 116 LEU N . 26601 1 501 . 1 1 118 118 ARG H H 1 8.582 0.020 . 1 . . . . 117 ARG H . 26601 1 502 . 1 1 118 118 ARG C C 13 177.058 0.3 . 1 . . . . 117 ARG C . 26601 1 503 . 1 1 118 118 ARG CA C 13 57.709 0.3 . 1 . . . . 117 ARG CA . 26601 1 504 . 1 1 118 118 ARG CB C 13 28.215 0.3 . 1 . . . . 117 ARG CB . 26601 1 505 . 1 1 118 118 ARG N N 15 116.002 0.3 . 1 . . . . 117 ARG N . 26601 1 506 . 1 1 119 119 ASN H H 1 7.576 0.020 . 1 . . . . 118 ASN H . 26601 1 507 . 1 1 119 119 ASN C C 13 175.837 0.3 . 1 . . . . 118 ASN C . 26601 1 508 . 1 1 119 119 ASN CA C 13 54.031 0.3 . 1 . . . . 118 ASN CA . 26601 1 509 . 1 1 119 119 ASN CB C 13 38.878 0.3 . 1 . . . . 118 ASN CB . 26601 1 510 . 1 1 119 119 ASN N N 15 113.648 0.3 . 1 . . . . 118 ASN N . 26601 1 511 . 1 1 120 120 VAL H H 1 8.083 0.020 . 1 . . . . 119 VAL H . 26601 1 512 . 1 1 120 120 VAL C C 13 174.993 0.3 . 1 . . . . 119 VAL C . 26601 1 513 . 1 1 120 120 VAL CA C 13 64.023 0.3 . 1 . . . . 119 VAL CA . 26601 1 514 . 1 1 120 120 VAL CB C 13 29.898 0.3 . 1 . . . . 119 VAL CB . 26601 1 515 . 1 1 120 120 VAL N N 15 124.091 0.3 . 1 . . . . 119 VAL N . 26601 1 516 . 1 1 121 121 THR H H 1 9.388 0.020 . 1 . . . . 120 THR H . 26601 1 517 . 1 1 121 121 THR C C 13 174.918 0.3 . 1 . . . . 120 THR C . 26601 1 518 . 1 1 121 121 THR CA C 13 58.621 0.3 . 1 . . . . 120 THR CA . 26601 1 519 . 1 1 121 121 THR CB C 13 72.467 0.3 . 1 . . . . 120 THR CB . 26601 1 520 . 1 1 121 121 THR N N 15 123.707 0.3 . 1 . . . . 120 THR N . 26601 1 521 . 1 1 124 124 LYS H H 1 8.569 0.020 . 1 . . . . 123 LYS H . 26601 1 522 . 1 1 124 124 LYS C C 13 176.696 0.3 . 1 . . . . 123 LYS C . 26601 1 523 . 1 1 124 124 LYS CA C 13 55.313 0.3 . 1 . . . . 123 LYS CA . 26601 1 524 . 1 1 124 124 LYS CB C 13 31.681 0.3 . 1 . . . . 123 LYS CB . 26601 1 525 . 1 1 124 124 LYS N N 15 119.450 0.3 . 1 . . . . 123 LYS N . 26601 1 526 . 1 1 125 125 VAL H H 1 8.680 0.020 . 1 . . . . 124 VAL H . 26601 1 527 . 1 1 125 125 VAL C C 13 174.511 0.3 . 1 . . . . 124 VAL C . 26601 1 528 . 1 1 125 125 VAL CA C 13 60.969 0.3 . 1 . . . . 124 VAL CA . 26601 1 529 . 1 1 125 125 VAL CB C 13 33.326 0.3 . 1 . . . . 124 VAL CB . 26601 1 530 . 1 1 125 125 VAL N N 15 126.548 0.3 . 1 . . . . 124 VAL N . 26601 1 531 . 1 1 126 126 SER H H 1 8.868 0.020 . 1 . . . . 125 SER H . 26601 1 532 . 1 1 126 126 SER C C 13 169.959 0.3 . 1 . . . . 125 SER C . 26601 1 533 . 1 1 126 126 SER CA C 13 56.535 0.3 . 1 . . . . 125 SER CA . 26601 1 534 . 1 1 126 126 SER CB C 13 65.612 0.3 . 1 . . . . 125 SER CB . 26601 1 535 . 1 1 126 126 SER N N 15 122.618 0.3 . 1 . . . . 125 SER N . 26601 1 536 . 1 1 127 127 LEU H H 1 8.284 0.020 . 1 . . . . 126 LEU H . 26601 1 537 . 1 1 127 127 LEU C C 13 175.355 0.3 . 1 . . . . 126 LEU C . 26601 1 538 . 1 1 127 127 LEU CA C 13 52.670 0.3 . 1 . . . . 126 LEU CA . 26601 1 539 . 1 1 127 127 LEU CB C 13 44.294 0.3 . 1 . . . . 126 LEU CB . 26601 1 540 . 1 1 127 127 LEU N N 15 124.160 0.3 . 1 . . . . 126 LEU N . 26601 1 541 . 1 1 128 128 PHE H H 1 9.536 0.020 . 1 . . . . 127 PHE H . 26601 1 542 . 1 1 128 128 PHE C C 13 174.888 0.3 . 1 . . . . 127 PHE C . 26601 1 543 . 1 1 128 128 PHE CA C 13 55.880 0.3 . 1 . . . . 127 PHE CA . 26601 1 544 . 1 1 128 128 PHE CB C 13 39.084 0.3 . 1 . . . . 127 PHE CB . 26601 1 545 . 1 1 128 128 PHE N N 15 126.141 0.3 . 1 . . . . 127 PHE N . 26601 1 546 . 1 1 129 129 GLU H H 1 8.477 0.020 . 1 . . . . 128 GLU H . 26601 1 547 . 1 1 129 129 GLU C C 13 173.456 0.3 . 1 . . . . 128 GLU C . 26601 1 548 . 1 1 129 129 GLU CA C 13 54.233 0.3 . 1 . . . . 128 GLU CA . 26601 1 549 . 1 1 129 129 GLU CB C 13 27.705 0.3 . 1 . . . . 128 GLU CB . 26601 1 550 . 1 1 129 129 GLU N N 15 122.025 0.3 . 1 . . . . 128 GLU N . 26601 1 551 . 1 1 131 131 SER H H 1 8.713 0.020 . 1 . . . . 130 SER H . 26601 1 552 . 1 1 131 131 SER C C 13 175.400 0.3 . 1 . . . . 130 SER C . 26601 1 553 . 1 1 131 131 SER CA C 13 56.704 0.3 . 1 . . . . 130 SER CA . 26601 1 554 . 1 1 131 131 SER CB C 13 63.749 0.3 . 1 . . . . 130 SER CB . 26601 1 555 . 1 1 131 131 SER N N 15 118.706 0.3 . 1 . . . . 130 SER N . 26601 1 556 . 1 1 132 132 LYS H H 1 8.752 0.020 . 1 . . . . 131 LYS H . 26601 1 557 . 1 1 132 132 LYS C C 13 178.931 0.3 . 1 . . . . 131 LYS C . 26601 1 558 . 1 1 132 132 LYS CA C 13 58.867 0.3 . 1 . . . . 131 LYS CA . 26601 1 559 . 1 1 132 132 LYS CB C 13 30.995 0.3 . 1 . . . . 131 LYS CB . 26601 1 560 . 1 1 132 132 LYS N N 15 125.477 0.3 . 1 . . . . 131 LYS N . 26601 1 561 . 1 1 133 133 ALA H H 1 8.201 0.020 . 1 . . . . 132 ALA H . 26601 1 562 . 1 1 133 133 ALA C C 13 179.560 0.3 . 1 . . . . 132 ALA C . 26601 1 563 . 1 1 133 133 ALA CA C 13 54.089 0.3 . 1 . . . . 132 ALA CA . 26601 1 564 . 1 1 133 133 ALA CB C 13 17.354 0.3 . 1 . . . . 132 ALA CB . 26601 1 565 . 1 1 133 133 ALA N N 15 121.362 0.3 . 1 . . . . 132 ALA N . 26601 1 566 . 1 1 134 134 GLU H H 1 7.466 0.020 . 1 . . . . 133 GLU H . 26601 1 567 . 1 1 134 134 GLU C C 13 179.243 0.3 . 1 . . . . 133 GLU C . 26601 1 568 . 1 1 134 134 GLU CA C 13 58.347 0.3 . 1 . . . . 133 GLU CA . 26601 1 569 . 1 1 134 134 GLU CB C 13 28.802 0.3 . 1 . . . . 133 GLU CB . 26601 1 570 . 1 1 134 134 GLU N N 15 119.786 0.3 . 1 . . . . 133 GLU N . 26601 1 571 . 1 1 135 135 ILE H H 1 7.633 0.020 . 1 . . . . 134 ILE H . 26601 1 572 . 1 1 135 135 ILE C C 13 178.731 0.3 . 1 . . . . 134 ILE C . 26601 1 573 . 1 1 135 135 ILE CA C 13 63.475 0.3 . 1 . . . . 134 ILE CA . 26601 1 574 . 1 1 135 135 ILE CB C 13 28.733 0.3 . 1 . . . . 134 ILE CB . 26601 1 575 . 1 1 135 135 ILE N N 15 120.043 0.3 . 1 . . . . 134 ILE N . 26601 1 576 . 1 1 136 136 ALA H H 1 7.957 0.020 . 1 . . . . 135 ALA H . 26601 1 577 . 1 1 136 136 ALA C C 13 178.836 0.3 . 1 . . . . 135 ALA C . 26601 1 578 . 1 1 136 136 ALA CA C 13 53.874 0.3 . 1 . . . . 135 ALA CA . 26601 1 579 . 1 1 136 136 ALA CB C 13 17.697 0.3 . 1 . . . . 135 ALA CB . 26601 1 580 . 1 1 136 136 ALA N N 15 122.344 0.3 . 1 . . . . 135 ALA N . 26601 1 581 . 1 1 137 137 ASN H H 1 7.946 0.020 . 1 . . . . 136 ASN H . 26601 1 582 . 1 1 137 137 ASN C C 13 176.184 0.3 . 1 . . . . 136 ASN C . 26601 1 583 . 1 1 137 137 ASN CA C 13 54.106 0.3 . 1 . . . . 136 ASN CA . 26601 1 584 . 1 1 137 137 ASN CB C 13 38.604 0.3 . 1 . . . . 136 ASN CB . 26601 1 585 . 1 1 137 137 ASN N N 15 113.949 0.3 . 1 . . . . 136 ASN N . 26601 1 586 . 1 1 138 138 LYS H H 1 8.215 0.020 . 1 . . . . 137 LYS H . 26601 1 587 . 1 1 138 138 LYS C C 13 175.958 0.3 . 1 . . . . 137 LYS C . 26601 1 588 . 1 1 138 138 LYS CA C 13 55.457 0.3 . 1 . . . . 137 LYS CA . 26601 1 589 . 1 1 138 138 LYS N N 15 115.860 0.3 . 1 . . . . 137 LYS N . 26601 1 590 . 1 1 141 141 ALA H H 1 8.613 0.020 . 1 . . . . 140 ALA H . 26601 1 591 . 1 1 141 141 ALA C C 13 174.782 0.3 . 1 . . . . 140 ALA C . 26601 1 592 . 1 1 141 141 ALA CA C 13 49.773 0.3 . 1 . . . . 140 ALA CA . 26601 1 593 . 1 1 141 141 ALA CB C 13 20.850 0.3 . 1 . . . . 140 ALA CB . 26601 1 594 . 1 1 141 141 ALA N N 15 122.618 0.3 . 1 . . . . 140 ALA N . 26601 1 595 . 1 1 142 142 THR H H 1 8.829 0.020 . 1 . . . . 141 THR H . 26601 1 596 . 1 1 142 142 THR C C 13 174.255 0.3 . 1 . . . . 141 THR C . 26601 1 597 . 1 1 142 142 THR CA C 13 61.243 0.3 . 1 . . . . 141 THR CA . 26601 1 598 . 1 1 142 142 THR CB C 13 67.326 0.3 . 1 . . . . 141 THR CB . 26601 1 599 . 1 1 142 142 THR N N 15 120.388 0.3 . 1 . . . . 141 THR N . 26601 1 600 . 1 1 143 143 LEU H H 1 8.858 0.020 . 1 . . . . 142 LEU H . 26601 1 601 . 1 1 143 143 LEU C C 13 175.355 0.3 . 1 . . . . 142 LEU C . 26601 1 602 . 1 1 143 143 LEU CA C 13 54.540 0.3 . 1 . . . . 142 LEU CA . 26601 1 603 . 1 1 143 143 LEU CB C 13 42.648 0.3 . 1 . . . . 142 LEU CB . 26601 1 604 . 1 1 143 143 LEU N N 15 130.213 0.3 . 1 . . . . 142 LEU N . 26601 1 605 . 1 1 144 144 VAL H H 1 7.830 0.020 . 1 . . . . 143 VAL H . 26601 1 606 . 1 1 144 144 VAL C C 13 174.044 0.3 . 1 . . . . 143 VAL C . 26601 1 607 . 1 1 144 144 VAL CA C 13 60.460 0.3 . 1 . . . . 143 VAL CA . 26601 1 608 . 1 1 144 144 VAL CB C 13 33.806 0.3 . 1 . . . . 143 VAL CB . 26601 1 609 . 1 1 144 144 VAL N N 15 120.344 0.3 . 1 . . . . 143 VAL N . 26601 1 610 . 1 1 145 145 CYS H H 1 9.740 0.020 . 1 . . . . 144 CYS H . 26601 1 611 . 1 1 145 145 CYS C C 13 171.527 0.3 . 1 . . . . 144 CYS C . 26601 1 612 . 1 1 145 145 CYS CA C 13 52.357 0.3 . 1 . . . . 144 CYS CA . 26601 1 613 . 1 1 145 145 CYS CB C 13 42.717 0.3 . 1 . . . . 144 CYS CB . 26601 1 614 . 1 1 145 145 CYS N N 15 127.805 0.3 . 1 . . . . 144 CYS N . 26601 1 615 . 1 1 146 146 LEU H H 1 8.965 0.020 . 1 . . . . 145 LEU H . 26601 1 616 . 1 1 146 146 LEU C C 13 173.908 0.3 . 1 . . . . 145 LEU C . 26601 1 617 . 1 1 146 146 LEU CA C 13 53.062 0.3 . 1 . . . . 145 LEU CA . 26601 1 618 . 1 1 146 146 LEU CB C 13 44.910 0.3 . 1 . . . . 145 LEU CB . 26601 1 619 . 1 1 146 146 LEU N N 15 128.159 0.3 . 1 . . . . 145 LEU N . 26601 1 620 . 1 1 147 147 ALA H H 1 9.241 0.020 . 1 . . . . 146 ALA H . 26601 1 621 . 1 1 147 147 ALA C C 13 175.611 0.3 . 1 . . . . 146 ALA C . 26601 1 622 . 1 1 147 147 ALA CA C 13 48.638 0.3 . 1 . . . . 146 ALA CA . 26601 1 623 . 1 1 147 147 ALA CB C 13 20.096 0.3 . 1 . . . . 146 ALA CB . 26601 1 624 . 1 1 147 147 ALA N N 15 129.735 0.3 . 1 . . . . 146 ALA N . 26601 1 625 . 1 1 148 148 ARG H H 1 9.177 0.020 . 1 . . . . 147 ARG H . 26601 1 626 . 1 1 148 148 ARG C C 13 176.048 0.3 . 1 . . . . 147 ARG C . 26601 1 627 . 1 1 148 148 ARG CA C 13 54.784 0.3 . 1 . . . . 147 ARG CA . 26601 1 628 . 1 1 148 148 ARG CB C 13 32.640 0.3 . 1 . . . . 147 ARG CB . 26601 1 629 . 1 1 148 148 ARG N N 15 120.149 0.3 . 1 . . . . 147 ARG N . 26601 1 630 . 1 1 149 149 GLY H H 1 8.051 0.020 . 1 . . . . 148 GLY H . 26601 1 631 . 1 1 149 149 GLY C C 13 174.089 0.3 . 1 . . . . 148 GLY C . 26601 1 632 . 1 1 149 149 GLY CA C 13 45.857 0.3 . 1 . . . . 148 GLY CA . 26601 1 633 . 1 1 149 149 GLY N N 15 110.525 0.3 . 1 . . . . 148 GLY N . 26601 1 634 . 1 1 150 150 PHE H H 1 7.320 0.020 . 1 . . . . 149 PHE H . 26601 1 635 . 1 1 150 150 PHE C C 13 174.194 0.3 . 1 . . . . 149 PHE C . 26601 1 636 . 1 1 150 150 PHE CA C 13 53.055 0.3 . 1 . . . . 149 PHE CA . 26601 1 637 . 1 1 150 150 PHE CB C 13 40.866 0.3 . 1 . . . . 149 PHE CB . 26601 1 638 . 1 1 150 150 PHE N N 15 112.577 0.3 . 1 . . . . 149 PHE N . 26601 1 639 . 1 1 151 151 PHE H H 1 9.144 0.020 . 1 . . . . 150 PHE H . 26601 1 640 . 1 1 151 151 PHE C C 13 174.194 0.3 . 1 . . . . 150 PHE C . 26601 1 641 . 1 1 151 151 PHE CA C 13 57.485 0.3 . 1 . . . . 150 PHE CA . 26601 1 642 . 1 1 151 151 PHE CB C 13 41.689 0.3 . 1 . . . . 150 PHE CB . 26601 1 643 . 1 1 151 151 PHE N N 15 120.264 0.3 . 1 . . . . 150 PHE N . 26601 1 644 . 1 1 153 153 ASP H H 1 8.363 0.020 . 1 . . . . 152 ASP H . 26601 1 645 . 1 1 153 153 ASP C C 13 175.671 0.3 . 1 . . . . 152 ASP C . 26601 1 646 . 1 1 153 153 ASP CA C 13 53.045 0.3 . 1 . . . . 152 ASP CA . 26601 1 647 . 1 1 153 153 ASP CB C 13 35.543 0.3 . 1 . . . . 152 ASP CB . 26601 1 648 . 1 1 153 153 ASP N N 15 116.923 0.3 . 1 . . . . 152 ASP N . 26601 1 649 . 1 1 154 154 HIS H H 1 7.431 0.020 . 1 . . . . 153 HIS H . 26601 1 650 . 1 1 154 154 HIS C C 13 173.049 0.3 . 1 . . . . 153 HIS C . 26601 1 651 . 1 1 154 154 HIS CA C 13 51.496 0.3 . 1 . . . . 153 HIS CA . 26601 1 652 . 1 1 154 154 HIS CB C 13 28.422 0.3 . 1 . . . . 153 HIS CB . 26601 1 653 . 1 1 154 154 HIS N N 15 124.291 0.3 . 1 . . . . 153 HIS N . 26601 1 654 . 1 1 155 155 VAL H H 1 7.280 0.020 . 1 . . . . 154 VAL H . 26601 1 655 . 1 1 155 155 VAL C C 13 174.948 0.3 . 1 . . . . 154 VAL C . 26601 1 656 . 1 1 155 155 VAL CA C 13 57.634 0.3 . 1 . . . . 154 VAL CA . 26601 1 657 . 1 1 155 155 VAL CB C 13 35.039 0.3 . 1 . . . . 154 VAL CB . 26601 1 658 . 1 1 155 155 VAL N N 15 112.656 0.3 . 1 . . . . 154 VAL N . 26601 1 659 . 1 1 156 156 GLU H H 1 8.257 0.020 . 1 . . . . 155 GLU H . 26601 1 660 . 1 1 156 156 GLU C C 13 174.451 0.3 . 1 . . . . 155 GLU C . 26601 1 661 . 1 1 156 156 GLU CA C 13 54.617 0.3 . 1 . . . . 155 GLU CA . 26601 1 662 . 1 1 156 156 GLU CB C 13 32.503 0.3 . 1 . . . . 155 GLU CB . 26601 1 663 . 1 1 156 156 GLU N N 15 120.397 0.3 . 1 . . . . 155 GLU N . 26601 1 664 . 1 1 157 157 LEU H H 1 9.212 0.020 . 1 . . . . 156 LEU H . 26601 1 665 . 1 1 157 157 LEU C C 13 175.641 0.3 . 1 . . . . 156 LEU C . 26601 1 666 . 1 1 157 157 LEU CA C 13 54.510 0.3 . 1 . . . . 156 LEU CA . 26601 1 667 . 1 1 157 157 LEU CB C 13 44.431 0.3 . 1 . . . . 156 LEU CB . 26601 1 668 . 1 1 157 157 LEU N N 15 131.257 0.3 . 1 . . . . 156 LEU N . 26601 1 669 . 1 1 158 158 SER H H 1 9.699 0.020 . 1 . . . . 157 SER H . 26601 1 670 . 1 1 158 158 SER C C 13 171.331 0.3 . 1 . . . . 157 SER C . 26601 1 671 . 1 1 158 158 SER CA C 13 56.350 0.3 . 1 . . . . 157 SER CA . 26601 1 672 . 1 1 158 158 SER CB C 13 65.955 0.3 . 1 . . . . 157 SER CB . 26601 1 673 . 1 1 158 158 SER N N 15 122.548 0.3 . 1 . . . . 157 SER N . 26601 1 674 . 1 1 159 159 TRP H H 1 8.833 0.020 . 1 . . . . 158 TRP H . 26601 1 675 . 1 1 159 159 TRP C C 13 175.204 0.3 . 1 . . . . 158 TRP C . 26601 1 676 . 1 1 159 159 TRP CA C 13 56.111 0.3 . 1 . . . . 158 TRP CA . 26601 1 677 . 1 1 159 159 TRP CB C 13 32.298 0.3 . 1 . . . . 158 TRP CB . 26601 1 678 . 1 1 159 159 TRP N N 15 120.981 0.3 . 1 . . . . 158 TRP N . 26601 1 679 . 1 1 160 160 TRP H H 1 9.381 0.020 . 1 . . . . 159 TRP H . 26601 1 680 . 1 1 160 160 TRP C C 13 176.787 0.3 . 1 . . . . 159 TRP C . 26601 1 681 . 1 1 160 160 TRP CA C 13 54.823 0.3 . 1 . . . . 159 TRP CA . 26601 1 682 . 1 1 160 160 TRP CB C 13 29.624 0.3 . 1 . . . . 159 TRP CB . 26601 1 683 . 1 1 160 160 TRP N N 15 121.246 0.3 . 1 . . . . 159 TRP N . 26601 1 684 . 1 1 161 161 VAL H H 1 9.219 0.020 . 1 . . . . 160 VAL H . 26601 1 685 . 1 1 161 161 VAL C C 13 176.440 0.3 . 1 . . . . 160 VAL C . 26601 1 686 . 1 1 161 161 VAL CA C 13 59.887 0.3 . 1 . . . . 160 VAL CA . 26601 1 687 . 1 1 161 161 VAL CB C 13 32.366 0.3 . 1 . . . . 160 VAL CB . 26601 1 688 . 1 1 161 161 VAL N N 15 127.256 0.3 . 1 . . . . 160 VAL N . 26601 1 689 . 1 1 162 162 ASN H H 1 9.739 0.020 . 1 . . . . 161 ASN H . 26601 1 690 . 1 1 162 162 ASN C C 13 175.897 0.3 . 1 . . . . 161 ASN C . 26601 1 691 . 1 1 162 162 ASN CA C 13 54.236 0.3 . 1 . . . . 161 ASN CA . 26601 1 692 . 1 1 162 162 ASN CB C 13 36.136 0.3 . 1 . . . . 161 ASN CB . 26601 1 693 . 1 1 162 162 ASN N N 15 129.115 0.3 . 1 . . . . 161 ASN N . 26601 1 694 . 1 1 163 163 GLY H H 1 8.921 0.020 . 1 . . . . 162 GLY H . 26601 1 695 . 1 1 163 163 GLY C C 13 173.607 0.3 . 1 . . . . 162 GLY C . 26601 1 696 . 1 1 163 163 GLY CA C 13 45.172 0.3 . 1 . . . . 162 GLY CA . 26601 1 697 . 1 1 163 163 GLY N N 15 102.694 0.3 . 1 . . . . 162 GLY N . 26601 1 698 . 1 1 164 164 LYS H H 1 7.749 0.020 . 1 . . . . 163 LYS H . 26601 1 699 . 1 1 164 164 LYS C C 13 174.104 0.3 . 1 . . . . 163 LYS C . 26601 1 700 . 1 1 164 164 LYS CA C 13 53.845 0.3 . 1 . . . . 163 LYS CA . 26601 1 701 . 1 1 164 164 LYS CB C 13 34.080 0.3 . 1 . . . . 163 LYS CB . 26601 1 702 . 1 1 164 164 LYS N N 15 121.415 0.3 . 1 . . . . 163 LYS N . 26601 1 703 . 1 1 165 165 GLU H H 1 8.080 0.020 . 1 . . . . 164 GLU H . 26601 1 704 . 1 1 165 165 GLU C C 13 176.726 0.3 . 1 . . . . 164 GLU C . 26601 1 705 . 1 1 165 165 GLU CA C 13 55.763 0.3 . 1 . . . . 164 GLU CA . 26601 1 706 . 1 1 165 165 GLU CB C 13 27.431 0.3 . 1 . . . . 164 GLU CB . 26601 1 707 . 1 1 165 165 GLU N N 15 128.133 0.3 . 1 . . . . 164 GLU N . 26601 1 708 . 1 1 166 166 VAL H H 1 7.996 0.020 . 1 . . . . 165 VAL H . 26601 1 709 . 1 1 166 166 VAL C C 13 173.622 0.3 . 1 . . . . 165 VAL C . 26601 1 710 . 1 1 166 166 VAL CA C 13 59.795 0.3 . 1 . . . . 165 VAL CA . 26601 1 711 . 1 1 166 166 VAL CB C 13 33.806 0.3 . 1 . . . . 165 VAL CB . 26601 1 712 . 1 1 166 166 VAL N N 15 123.211 0.3 . 1 . . . . 165 VAL N . 26601 1 713 . 1 1 170 170 VAL H H 1 7.200 0.020 . 1 . . . . 169 VAL H . 26601 1 714 . 1 1 170 170 VAL C C 13 176.772 0.3 . 1 . . . . 169 VAL C . 26601 1 715 . 1 1 170 170 VAL CA C 13 60.969 0.3 . 1 . . . . 169 VAL CA . 26601 1 716 . 1 1 170 170 VAL CB C 13 32.572 0.3 . 1 . . . . 169 VAL CB . 26601 1 717 . 1 1 170 170 VAL N N 15 121.370 0.3 . 1 . . . . 169 VAL N . 26601 1 718 . 1 1 171 171 SER H H 1 9.058 0.020 . 1 . . . . 170 SER H . 26601 1 719 . 1 1 171 171 SER C C 13 173.297 0.3 . 1 . . . . 170 SER C . 26601 1 720 . 1 1 171 171 SER CA C 13 56.115 0.3 . 1 . . . . 170 SER CA . 26601 1 721 . 1 1 171 171 SER CB C 13 63.282 0.3 . 1 . . . . 170 SER CB . 26601 1 722 . 1 1 171 171 SER N N 15 123.636 0.3 . 1 . . . . 170 SER N . 26601 1 723 . 1 1 172 172 THR H H 1 9.214 0.020 . 1 . . . . 171 THR H . 26601 1 724 . 1 1 172 172 THR C C 13 173.715 0.3 . 1 . . . . 171 THR C . 26601 1 725 . 1 1 172 172 THR CA C 13 60.549 0.3 . 1 . . . . 171 THR CA . 26601 1 726 . 1 1 172 172 THR CB C 13 69.314 0.3 . 1 . . . . 171 THR CB . 26601 1 727 . 1 1 172 172 THR N N 15 127.854 0.3 . 1 . . . . 171 THR N . 26601 1 728 . 1 1 173 173 ASP H H 1 8.493 0.020 . 1 . . . . 172 ASP H . 26601 1 729 . 1 1 173 173 ASP C C 13 174.433 0.3 . 1 . . . . 172 ASP C . 26601 1 730 . 1 1 173 173 ASP CA C 13 53.492 0.3 . 1 . . . . 172 ASP CA . 26601 1 731 . 1 1 173 173 ASP CB C 13 39.564 0.3 . 1 . . . . 172 ASP CB . 26601 1 732 . 1 1 173 173 ASP N N 15 130.584 0.3 . 1 . . . . 172 ASP N . 26601 1 733 . 1 1 175 175 GLN H H 1 7.296 0.020 . 1 . . . . 174 GLN H . 26601 1 734 . 1 1 175 175 GLN C C 13 174.014 0.3 . 1 . . . . 174 GLN C . 26601 1 735 . 1 1 175 175 GLN CA C 13 53.430 0.3 . 1 . . . . 174 GLN CA . 26601 1 736 . 1 1 175 175 GLN CB C 13 31.269 0.3 . 1 . . . . 174 GLN CB . 26601 1 737 . 1 1 175 175 GLN N N 15 112.860 0.3 . 1 . . . . 174 GLN N . 26601 1 738 . 1 1 176 176 ALA H H 1 9.056 0.020 . 1 . . . . 175 ALA H . 26601 1 739 . 1 1 176 176 ALA C C 13 176.420 0.3 . 1 . . . . 175 ALA C . 26601 1 740 . 1 1 176 176 ALA CA C 13 51.652 0.3 . 1 . . . . 175 ALA CA . 26601 1 741 . 1 1 176 176 ALA CB C 13 18.999 0.3 . 1 . . . . 175 ALA CB . 26601 1 742 . 1 1 176 176 ALA N N 15 125.442 0.3 . 1 . . . . 175 ALA N . 26601 1 743 . 1 1 177 177 TYR H H 1 9.294 0.020 . 1 . . . . 176 TYR H . 26601 1 744 . 1 1 177 177 TYR C C 13 174.567 0.3 . 1 . . . . 176 TYR C . 26601 1 745 . 1 1 177 177 TYR CA C 13 56.115 0.3 . 1 . . . . 176 TYR CA . 26601 1 746 . 1 1 177 177 TYR CB C 13 39.289 0.3 . 1 . . . . 176 TYR CB . 26601 1 747 . 1 1 177 177 TYR N N 15 124.486 0.3 . 1 . . . . 176 TYR N . 26601 1 748 . 1 1 178 178 LYS H H 1 8.358 0.020 . 1 . . . . 177 LYS H . 26601 1 749 . 1 1 178 178 LYS C C 13 175.240 0.3 . 1 . . . . 177 LYS C . 26601 1 750 . 1 1 178 178 LYS CA C 13 55.918 0.3 . 1 . . . . 177 LYS CA . 26601 1 751 . 1 1 178 178 LYS CB C 13 31.064 0.3 . 1 . . . . 177 LYS CB . 26601 1 752 . 1 1 178 178 LYS N N 15 127.407 0.3 . 1 . . . . 177 LYS N . 26601 1 753 . 1 1 179 179 GLU H H 1 8.325 0.020 . 1 . . . . 178 GLU H . 26601 1 754 . 1 1 179 179 GLU C C 13 176.376 0.3 . 1 . . . . 178 GLU C . 26601 1 755 . 1 1 179 179 GLU CA C 13 56.976 0.3 . 1 . . . . 178 GLU CA . 26601 1 756 . 1 1 179 179 GLU CB C 13 29.967 0.3 . 1 . . . . 178 GLU CB . 26601 1 757 . 1 1 179 179 GLU N N 15 128.318 0.3 . 1 . . . . 178 GLU N . 26601 1 758 . 1 1 180 180 SER H H 1 7.981 0.020 . 1 . . . . 179 SER H . 26601 1 759 . 1 1 180 180 SER C C 13 173.611 0.3 . 1 . . . . 179 SER C . 26601 1 760 . 1 1 180 180 SER CA C 13 56.733 0.3 . 1 . . . . 179 SER CA . 26601 1 761 . 1 1 180 180 SER CB C 13 62.596 0.3 . 1 . . . . 179 SER CB . 26601 1 762 . 1 1 180 180 SER N N 15 112.453 0.3 . 1 . . . . 179 SER N . 26601 1 763 . 1 1 182 182 TYR H H 1 7.753 0.020 . 1 . . . . 181 TYR H . 26601 1 764 . 1 1 182 182 TYR C C 13 174.074 0.3 . 1 . . . . 181 TYR C . 26601 1 765 . 1 1 182 182 TYR CA C 13 54.481 0.3 . 1 . . . . 181 TYR CA . 26601 1 766 . 1 1 182 182 TYR CB C 13 37.027 0.3 . 1 . . . . 181 TYR CB . 26601 1 767 . 1 1 182 182 TYR N N 15 113.426 0.3 . 1 . . . . 181 TYR N . 26601 1 768 . 1 1 183 183 SER H H 1 6.738 0.020 . 1 . . . . 182 SER H . 26601 1 769 . 1 1 183 183 SER C C 13 172.206 0.3 . 1 . . . . 182 SER C . 26601 1 770 . 1 1 183 183 SER CA C 13 58.096 0.3 . 1 . . . . 182 SER CA . 26601 1 771 . 1 1 183 183 SER CB C 13 63.761 0.3 . 1 . . . . 182 SER CB . 26601 1 772 . 1 1 183 183 SER N N 15 112.195 0.3 . 1 . . . . 182 SER N . 26601 1 773 . 1 1 184 184 TYR H H 1 8.590 0.020 . 1 . . . . 183 TYR H . 26601 1 774 . 1 1 184 184 TYR C C 13 173.820 0.3 . 1 . . . . 183 TYR C . 26601 1 775 . 1 1 184 184 TYR CA C 13 56.585 0.3 . 1 . . . . 183 TYR CA . 26601 1 776 . 1 1 184 184 TYR CB C 13 42.169 0.3 . 1 . . . . 183 TYR CB . 26601 1 777 . 1 1 184 184 TYR N N 15 126.336 0.3 . 1 . . . . 183 TYR N . 26601 1 778 . 1 1 185 185 SER H H 1 8.976 0.020 . 1 . . . . 184 SER H . 26601 1 779 . 1 1 185 185 SER C C 13 172.654 0.3 . 1 . . . . 184 SER C . 26601 1 780 . 1 1 185 185 SER CA C 13 56.276 0.3 . 1 . . . . 184 SER CA . 26601 1 781 . 1 1 185 185 SER CB C 13 66.366 0.3 . 1 . . . . 184 SER CB . 26601 1 782 . 1 1 185 185 SER N N 15 111.296 0.3 . 1 . . . . 184 SER N . 26601 1 783 . 1 1 186 186 LEU H H 1 9.444 0.020 . 1 . . . . 185 LEU H . 26601 1 784 . 1 1 186 186 LEU C C 13 173.491 0.3 . 1 . . . . 185 LEU C . 26601 1 785 . 1 1 186 186 LEU CA C 13 55.450 0.3 . 1 . . . . 185 LEU CA . 26601 1 786 . 1 1 186 186 LEU CB C 13 46.898 0.3 . 1 . . . . 185 LEU CB . 26601 1 787 . 1 1 186 186 LEU N N 15 123.778 0.3 . 1 . . . . 185 LEU N . 26601 1 788 . 1 1 187 187 SER H H 1 8.522 0.020 . 1 . . . . 186 SER H . 26601 1 789 . 1 1 187 187 SER C C 13 172.475 0.3 . 1 . . . . 186 SER C . 26601 1 790 . 1 1 187 187 SER CA C 13 56.056 0.3 . 1 . . . . 186 SER CA . 26601 1 791 . 1 1 187 187 SER CB C 13 67.394 0.3 . 1 . . . . 186 SER CB . 26601 1 792 . 1 1 187 187 SER N N 15 121.264 0.3 . 1 . . . . 186 SER N . 26601 1 793 . 1 1 188 188 SER H H 1 8.877 0.020 . 1 . . . . 187 SER H . 26601 1 794 . 1 1 188 188 SER C C 13 172.550 0.3 . 1 . . . . 187 SER C . 26601 1 795 . 1 1 188 188 SER CA C 13 56.208 0.3 . 1 . . . . 187 SER CA . 26601 1 796 . 1 1 188 188 SER CB C 13 63.898 0.3 . 1 . . . . 187 SER CB . 26601 1 797 . 1 1 188 188 SER N N 15 113.550 0.3 . 1 . . . . 187 SER N . 26601 1 798 . 1 1 189 189 ARG H H 1 8.639 0.020 . 1 . . . . 188 ARG H . 26601 1 799 . 1 1 189 189 ARG C C 13 173.431 0.3 . 1 . . . . 188 ARG C . 26601 1 800 . 1 1 189 189 ARG CA C 13 54.040 0.3 . 1 . . . . 188 ARG CA . 26601 1 801 . 1 1 189 189 ARG CB C 13 32.092 0.3 . 1 . . . . 188 ARG CB . 26601 1 802 . 1 1 189 189 ARG N N 15 127.805 0.3 . 1 . . . . 188 ARG N . 26601 1 803 . 1 1 190 190 LEU H H 1 8.206 0.020 . 1 . . . . 189 LEU H . 26601 1 804 . 1 1 190 190 LEU C C 13 173.514 0.3 . 1 . . . . 189 LEU C . 26601 1 805 . 1 1 190 190 LEU CA C 13 52.435 0.3 . 1 . . . . 189 LEU CA . 26601 1 806 . 1 1 190 190 LEU CB C 13 39.906 0.3 . 1 . . . . 189 LEU CB . 26601 1 807 . 1 1 190 190 LEU N N 15 124.288 0.3 . 1 . . . . 189 LEU N . 26601 1 808 . 1 1 191 191 ARG H H 1 8.254 0.020 . 1 . . . . 190 ARG H . 26601 1 809 . 1 1 191 191 ARG C C 13 175.763 0.3 . 1 . . . . 190 ARG C . 26601 1 810 . 1 1 191 191 ARG CA C 13 54.040 0.3 . 1 . . . . 190 ARG CA . 26601 1 811 . 1 1 191 191 ARG CB C 13 30.652 0.3 . 1 . . . . 190 ARG CB . 26601 1 812 . 1 1 191 191 ARG N N 15 127.672 0.3 . 1 . . . . 190 ARG N . 26601 1 813 . 1 1 192 192 VAL H H 1 8.720 0.020 . 1 . . . . 191 VAL H . 26601 1 814 . 1 1 192 192 VAL C C 13 174.597 0.3 . 1 . . . . 191 VAL C . 26601 1 815 . 1 1 192 192 VAL CA C 13 57.807 0.3 . 1 . . . . 191 VAL CA . 26601 1 816 . 1 1 192 192 VAL CB C 13 34.902 0.3 . 1 . . . . 191 VAL CB . 26601 1 817 . 1 1 192 192 VAL N N 15 119.591 0.3 . 1 . . . . 191 VAL N . 26601 1 818 . 1 1 193 193 SER H H 1 8.652 0.020 . 1 . . . . 192 SER H . 26601 1 819 . 1 1 193 193 SER C C 13 175.539 0.3 . 1 . . . . 192 SER C . 26601 1 820 . 1 1 193 193 SER CA C 13 58.085 0.3 . 1 . . . . 192 SER CA . 26601 1 821 . 1 1 193 193 SER CB C 13 63.007 0.3 . 1 . . . . 192 SER CB . 26601 1 822 . 1 1 193 193 SER N N 15 116.684 0.3 . 1 . . . . 192 SER N . 26601 1 823 . 1 1 194 194 ALA H H 1 8.275 0.020 . 1 . . . . 193 ALA H . 26601 1 824 . 1 1 194 194 ALA C C 13 178.318 0.3 . 1 . . . . 193 ALA C . 26601 1 825 . 1 1 194 194 ALA CA C 13 55.443 0.3 . 1 . . . . 193 ALA CA . 26601 1 826 . 1 1 194 194 ALA CB C 13 16.874 0.3 . 1 . . . . 193 ALA CB . 26601 1 827 . 1 1 194 194 ALA N N 15 126.681 0.3 . 1 . . . . 193 ALA N . 26601 1 828 . 1 1 195 195 THR H H 1 7.949 0.020 . 1 . . . . 194 THR H . 26601 1 829 . 1 1 195 195 THR C C 13 176.048 0.3 . 1 . . . . 194 THR C . 26601 1 830 . 1 1 195 195 THR CA C 13 64.586 0.3 . 1 . . . . 194 THR CA . 26601 1 831 . 1 1 195 195 THR CB C 13 68.011 0.3 . 1 . . . . 194 THR CB . 26601 1 832 . 1 1 195 195 THR N N 15 108.384 0.3 . 1 . . . . 194 THR N . 26601 1 833 . 1 1 196 196 PHE H H 1 7.660 0.020 . 1 . . . . 195 PHE H . 26601 1 834 . 1 1 196 196 PHE C C 13 178.169 0.3 . 1 . . . . 195 PHE C . 26601 1 835 . 1 1 196 196 PHE CA C 13 60.735 0.3 . 1 . . . . 195 PHE CA . 26601 1 836 . 1 1 196 196 PHE CB C 13 39.906 0.3 . 1 . . . . 195 PHE CB . 26601 1 837 . 1 1 196 196 PHE N N 15 124.778 0.3 . 1 . . . . 195 PHE N . 26601 1 838 . 1 1 197 197 TRP H H 1 7.706 0.020 . 1 . . . . 196 TRP H . 26601 1 839 . 1 1 197 197 TRP C C 13 173.999 0.3 . 1 . . . . 196 TRP C . 26601 1 840 . 1 1 197 197 TRP CA C 13 58.347 0.3 . 1 . . . . 196 TRP CA . 26601 1 841 . 1 1 197 197 TRP CB C 13 29.144 0.3 . 1 . . . . 196 TRP CB . 26601 1 842 . 1 1 197 197 TRP N N 15 119.644 0.3 . 1 . . . . 196 TRP N . 26601 1 843 . 1 1 198 198 HIS H H 1 7.612 0.020 . 1 . . . . 197 HIS H . 26601 1 844 . 1 1 198 198 HIS C C 13 174.209 0.3 . 1 . . . . 197 HIS C . 26601 1 845 . 1 1 198 198 HIS CA C 13 54.106 0.3 . 1 . . . . 197 HIS CA . 26601 1 846 . 1 1 198 198 HIS CB C 13 27.705 0.3 . 1 . . . . 197 HIS CB . 26601 1 847 . 1 1 198 198 HIS N N 15 112.435 0.3 . 1 . . . . 197 HIS N . 26601 1 848 . 1 1 199 199 ASN H H 1 6.897 0.020 . 1 . . . . 198 ASN H . 26601 1 849 . 1 1 199 199 ASN C C 13 174.164 0.3 . 1 . . . . 198 ASN C . 26601 1 850 . 1 1 199 199 ASN CA C 13 48.951 0.3 . 1 . . . . 198 ASN CA . 26601 1 851 . 1 1 199 199 ASN CB C 13 38.261 0.3 . 1 . . . . 198 ASN CB . 26601 1 852 . 1 1 199 199 ASN N N 15 118.678 0.3 . 1 . . . . 198 ASN N . 26601 1 853 . 1 1 201 201 ARG H H 1 7.629 0.020 . 1 . . . . 200 ARG H . 26601 1 854 . 1 1 201 201 ARG C C 13 176.914 0.3 . 1 . . . . 200 ARG C . 26601 1 855 . 1 1 201 201 ARG CA C 13 55.532 0.3 . 1 . . . . 200 ARG CA . 26601 1 856 . 1 1 201 201 ARG CB C 13 28.733 0.3 . 1 . . . . 200 ARG CB . 26601 1 857 . 1 1 201 201 ARG N N 15 115.400 0.3 . 1 . . . . 200 ARG N . 26601 1 858 . 1 1 202 202 ASN H H 1 7.665 0.020 . 1 . . . . 201 ASN H . 26601 1 859 . 1 1 202 202 ASN C C 13 171.967 0.3 . 1 . . . . 201 ASN C . 26601 1 860 . 1 1 202 202 ASN CA C 13 51.887 0.3 . 1 . . . . 201 ASN CA . 26601 1 861 . 1 1 202 202 ASN CB C 13 37.850 0.3 . 1 . . . . 201 ASN CB . 26601 1 862 . 1 1 202 202 ASN N N 15 118.272 0.3 . 1 . . . . 201 ASN N . 26601 1 863 . 1 1 203 203 HIS H H 1 8.206 0.020 . 1 . . . . 202 HIS H . 26601 1 864 . 1 1 203 203 HIS C C 13 173.013 0.3 . 1 . . . . 202 HIS C . 26601 1 865 . 1 1 203 203 HIS CA C 13 55.136 0.3 . 1 . . . . 202 HIS CA . 26601 1 866 . 1 1 203 203 HIS CB C 13 33.874 0.3 . 1 . . . . 202 HIS CB . 26601 1 867 . 1 1 203 203 HIS N N 15 122.862 0.3 . 1 . . . . 202 HIS N . 26601 1 868 . 1 1 204 204 PHE H H 1 8.450 0.020 . 1 . . . . 203 PHE H . 26601 1 869 . 1 1 204 204 PHE C C 13 173.581 0.3 . 1 . . . . 203 PHE C . 26601 1 870 . 1 1 204 204 PHE CA C 13 55.802 0.3 . 1 . . . . 203 PHE CA . 26601 1 871 . 1 1 204 204 PHE CB C 13 41.277 0.3 . 1 . . . . 203 PHE CB . 26601 1 872 . 1 1 204 204 PHE N N 15 124.725 0.3 . 1 . . . . 203 PHE N . 26601 1 873 . 1 1 205 205 ARG H H 1 9.149 0.020 . 1 . . . . 204 ARG H . 26601 1 874 . 1 1 205 205 ARG C C 13 173.402 0.3 . 1 . . . . 204 ARG C . 26601 1 875 . 1 1 205 205 ARG CA C 13 54.236 0.3 . 1 . . . . 204 ARG CA . 26601 1 876 . 1 1 205 205 ARG CB C 13 34.423 0.3 . 1 . . . . 204 ARG CB . 26601 1 877 . 1 1 205 205 ARG N N 15 121.822 0.3 . 1 . . . . 204 ARG N . 26601 1 878 . 1 1 206 206 CYS H H 1 8.826 0.020 . 1 . . . . 205 CYS H . 26601 1 879 . 1 1 206 206 CYS C C 13 171.474 0.3 . 1 . . . . 205 CYS C . 26601 1 880 . 1 1 206 206 CYS CA C 13 51.974 0.3 . 1 . . . . 205 CYS CA . 26601 1 881 . 1 1 206 206 CYS CB C 13 42.511 0.3 . 1 . . . . 205 CYS CB . 26601 1 882 . 1 1 206 206 CYS N N 15 127.637 0.3 . 1 . . . . 205 CYS N . 26601 1 883 . 1 1 207 207 GLN H H 1 9.235 0.020 . 1 . . . . 206 GLN H . 26601 1 884 . 1 1 207 207 GLN C C 13 173.432 0.3 . 1 . . . . 206 GLN C . 26601 1 885 . 1 1 207 207 GLN CA C 13 53.766 0.3 . 1 . . . . 206 GLN CA . 26601 1 886 . 1 1 207 207 GLN CB C 13 32.160 0.3 . 1 . . . . 206 GLN CB . 26601 1 887 . 1 1 207 207 GLN N N 15 127.876 0.3 . 1 . . . . 206 GLN N . 26601 1 888 . 1 1 208 208 VAL H H 1 9.125 0.020 . 1 . . . . 207 VAL H . 26601 1 889 . 1 1 208 208 VAL C C 13 174.164 0.3 . 1 . . . . 207 VAL C . 26601 1 890 . 1 1 208 208 VAL CA C 13 60.226 0.3 . 1 . . . . 207 VAL CA . 26601 1 891 . 1 1 208 208 VAL CB C 13 31.475 0.3 . 1 . . . . 207 VAL CB . 26601 1 892 . 1 1 208 208 VAL N N 15 127.743 0.3 . 1 . . . . 207 VAL N . 26601 1 893 . 1 1 209 209 GLN H H 1 8.893 0.020 . 1 . . . . 208 GLN H . 26601 1 894 . 1 1 209 209 GLN C C 13 173.820 0.3 . 1 . . . . 208 GLN C . 26601 1 895 . 1 1 209 209 GLN CA C 13 54.432 0.3 . 1 . . . . 208 GLN CA . 26601 1 896 . 1 1 209 209 GLN CB C 13 29.281 0.3 . 1 . . . . 208 GLN CB . 26601 1 897 . 1 1 209 209 GLN N N 15 128.575 0.3 . 1 . . . . 208 GLN N . 26601 1 898 . 1 1 210 210 PHE H H 1 8.829 0.020 . 1 . . . . 209 PHE H . 26601 1 899 . 1 1 210 210 PHE C C 13 172.610 0.3 . 1 . . . . 209 PHE C . 26601 1 900 . 1 1 210 210 PHE CA C 13 54.920 0.3 . 1 . . . . 209 PHE CA . 26601 1 901 . 1 1 210 210 PHE CB C 13 40.935 0.3 . 1 . . . . 209 PHE CB . 26601 1 902 . 1 1 210 210 PHE N N 15 128.318 0.3 . 1 . . . . 209 PHE N . 26601 1 903 . 1 1 211 211 HIS H H 1 7.411 0.020 . 1 . . . . 210 HIS H . 26601 1 904 . 1 1 211 211 HIS C C 13 174.119 0.3 . 1 . . . . 210 HIS C . 26601 1 905 . 1 1 211 211 HIS CA C 13 55.136 0.3 . 1 . . . . 210 HIS CA . 26601 1 906 . 1 1 211 211 HIS CB C 13 29.350 0.3 . 1 . . . . 210 HIS CB . 26601 1 907 . 1 1 211 211 HIS N N 15 128.363 0.3 . 1 . . . . 210 HIS N . 26601 1 908 . 1 1 212 212 GLY H H 1 7.757 0.020 . 1 . . . . 211 GLY H . 26601 1 909 . 1 1 212 212 GLY C C 13 173.521 0.3 . 1 . . . . 211 GLY C . 26601 1 910 . 1 1 212 212 GLY CA C 13 42.995 0.3 . 1 . . . . 211 GLY CA . 26601 1 911 . 1 1 212 212 GLY N N 15 112.665 0.3 . 1 . . . . 211 GLY N . 26601 1 912 . 1 1 213 213 LEU H H 1 8.248 0.020 . 1 . . . . 212 LEU H . 26601 1 913 . 1 1 213 213 LEU C C 13 176.121 0.3 . 1 . . . . 212 LEU C . 26601 1 914 . 1 1 213 213 LEU CA C 13 54.158 0.3 . 1 . . . . 212 LEU CA . 26601 1 915 . 1 1 213 213 LEU CB C 13 41.346 0.3 . 1 . . . . 212 LEU CB . 26601 1 916 . 1 1 213 213 LEU N N 15 124.508 0.3 . 1 . . . . 212 LEU N . 26601 1 917 . 1 1 214 214 SER H H 1 9.259 0.020 . 1 . . . . 213 SER H . 26601 1 918 . 1 1 214 214 SER C C 13 176.062 0.3 . 1 . . . . 213 SER C . 26601 1 919 . 1 1 214 214 SER CA C 13 56.585 0.3 . 1 . . . . 213 SER CA . 26601 1 920 . 1 1 214 214 SER CB C 13 64.653 0.3 . 1 . . . . 213 SER CB . 26601 1 921 . 1 1 214 214 SER N N 15 116.777 0.3 . 1 . . . . 213 SER N . 26601 1 922 . 1 1 216 216 GLU H H 1 8.278 0.020 . 1 . . . . 215 GLU H . 26601 1 923 . 1 1 216 216 GLU C C 13 177.093 0.3 . 1 . . . . 215 GLU C . 26601 1 924 . 1 1 216 216 GLU CA C 13 56.808 0.3 . 1 . . . . 215 GLU CA . 26601 1 925 . 1 1 216 216 GLU CB C 13 28.802 0.3 . 1 . . . . 215 GLU CB . 26601 1 926 . 1 1 216 216 GLU N N 15 115.905 0.3 . 1 . . . . 215 GLU N . 26601 1 927 . 1 1 217 217 ASP H H 1 7.294 0.020 . 1 . . . . 216 ASP H . 26601 1 928 . 1 1 217 217 ASP C C 13 175.897 0.3 . 1 . . . . 216 ASP C . 26601 1 929 . 1 1 217 217 ASP CA C 13 54.823 0.3 . 1 . . . . 216 ASP CA . 26601 1 930 . 1 1 217 217 ASP CB C 13 41.277 0.3 . 1 . . . . 216 ASP CB . 26601 1 931 . 1 1 217 217 ASP N N 15 120.822 0.3 . 1 . . . . 216 ASP N . 26601 1 932 . 1 1 218 218 LYS H H 1 8.443 0.020 . 1 . . . . 217 LYS H . 26601 1 933 . 1 1 218 218 LYS C C 13 175.793 0.3 . 1 . . . . 217 LYS C . 26601 1 934 . 1 1 218 218 LYS CA C 13 55.768 0.3 . 1 . . . . 217 LYS CA . 26601 1 935 . 1 1 218 218 LYS CB C 13 31.886 0.3 . 1 . . . . 217 LYS CB . 26601 1 936 . 1 1 218 218 LYS N N 15 122.946 0.3 . 1 . . . . 217 LYS N . 26601 1 937 . 1 1 219 219 TRP H H 1 8.251 0.020 . 1 . . . . 218 TRP H . 26601 1 938 . 1 1 219 219 TRP C C 13 173.727 0.3 . 1 . . . . 218 TRP C . 26601 1 939 . 1 1 219 219 TRP CA C 13 53.336 0.3 . 1 . . . . 218 TRP CA . 26601 1 940 . 1 1 219 219 TRP CB C 13 32.023 0.3 . 1 . . . . 218 TRP CB . 26601 1 941 . 1 1 219 219 TRP N N 15 123.647 0.3 . 1 . . . . 218 TRP N . 26601 1 942 . 1 1 223 223 SER H H 1 7.688 0.020 . 1 . . . . 222 SER H . 26601 1 943 . 1 1 223 223 SER C C 13 172.161 0.3 . 1 . . . . 222 SER C . 26601 1 944 . 1 1 223 223 SER CA C 13 55.757 0.3 . 1 . . . . 222 SER CA . 26601 1 945 . 1 1 223 223 SER CB C 13 62.870 0.3 . 1 . . . . 222 SER CB . 26601 1 946 . 1 1 223 223 SER N N 15 116.152 0.3 . 1 . . . . 222 SER N . 26601 1 947 . 1 1 227 227 VAL H H 1 7.588 0.020 . 1 . . . . 226 VAL H . 26601 1 948 . 1 1 227 227 VAL C C 13 175.718 0.3 . 1 . . . . 226 VAL C . 26601 1 949 . 1 1 227 227 VAL CA C 13 59.756 0.3 . 1 . . . . 226 VAL CA . 26601 1 950 . 1 1 227 227 VAL CB C 13 32.435 0.3 . 1 . . . . 226 VAL CB . 26601 1 951 . 1 1 227 227 VAL N N 15 118.051 0.3 . 1 . . . . 226 VAL N . 26601 1 952 . 1 1 228 228 THR H H 1 7.733 0.020 . 1 . . . . 227 THR H . 26601 1 953 . 1 1 228 228 THR C C 13 174.522 0.3 . 1 . . . . 227 THR C . 26601 1 954 . 1 1 228 228 THR CA C 13 62.770 0.3 . 1 . . . . 227 THR CA . 26601 1 955 . 1 1 228 228 THR CB C 13 68.628 0.3 . 1 . . . . 227 THR CB . 26601 1 956 . 1 1 228 228 THR N N 15 118.839 0.3 . 1 . . . . 227 THR N . 26601 1 957 . 1 1 229 229 GLN H H 1 8.767 0.020 . 1 . . . . 228 GLN H . 26601 1 958 . 1 1 229 229 GLN C C 13 172.087 0.3 . 1 . . . . 228 GLN C . 26601 1 959 . 1 1 229 229 GLN CA C 13 54.425 0.3 . 1 . . . . 228 GLN CA . 26601 1 960 . 1 1 229 229 GLN CB C 13 31.201 0.3 . 1 . . . . 228 GLN CB . 26601 1 961 . 1 1 229 229 GLN N N 15 122.751 0.3 . 1 . . . . 228 GLN N . 26601 1 962 . 1 1 230 230 ASN H H 1 8.575 0.020 . 1 . . . . 229 ASN H . 26601 1 963 . 1 1 230 230 ASN C C 13 174.582 0.3 . 1 . . . . 229 ASN C . 26601 1 964 . 1 1 230 230 ASN CA C 13 51.355 0.3 . 1 . . . . 229 ASN CA . 26601 1 965 . 1 1 230 230 ASN CB C 13 39.289 0.3 . 1 . . . . 229 ASN CB . 26601 1 966 . 1 1 230 230 ASN N N 15 120.078 0.3 . 1 . . . . 229 ASN N . 26601 1 967 . 1 1 231 231 ILE H H 1 8.965 0.020 . 1 . . . . 230 ILE H . 26601 1 968 . 1 1 231 231 ILE C C 13 174.552 0.3 . 1 . . . . 230 ILE C . 26601 1 969 . 1 1 231 231 ILE CA C 13 60.069 0.3 . 1 . . . . 230 ILE CA . 26601 1 970 . 1 1 231 231 ILE CB C 13 39.632 0.3 . 1 . . . . 230 ILE CB . 26601 1 971 . 1 1 231 231 ILE N N 15 127.026 0.3 . 1 . . . . 230 ILE N . 26601 1 972 . 1 1 232 232 SER H H 1 8.494 0.020 . 1 . . . . 231 SER H . 26601 1 973 . 1 1 232 232 SER C C 13 172.983 0.3 . 1 . . . . 231 SER C . 26601 1 974 . 1 1 232 232 SER CA C 13 56.679 0.3 . 1 . . . . 231 SER CA . 26601 1 975 . 1 1 232 232 SER CB C 13 66.435 0.3 . 1 . . . . 231 SER CB . 26601 1 976 . 1 1 232 232 SER N N 15 120.733 0.3 . 1 . . . . 231 SER N . 26601 1 977 . 1 1 233 233 ALA H H 1 8.523 0.020 . 1 . . . . 232 ALA H . 26601 1 978 . 1 1 233 233 ALA C C 13 175.031 0.3 . 1 . . . . 232 ALA C . 26601 1 979 . 1 1 233 233 ALA CA C 13 50.828 0.3 . 1 . . . . 232 ALA CA . 26601 1 980 . 1 1 233 233 ALA CB C 13 22.427 0.3 . 1 . . . . 232 ALA CB . 26601 1 981 . 1 1 233 233 ALA N N 15 124.141 0.3 . 1 . . . . 232 ALA N . 26601 1 982 . 1 1 234 234 GLU H H 1 8.691 0.020 . 1 . . . . 233 GLU H . 26601 1 983 . 1 1 234 234 GLU C C 13 174.448 0.3 . 1 . . . . 233 GLU C . 26601 1 984 . 1 1 234 234 GLU CA C 13 53.751 0.3 . 1 . . . . 233 GLU CA . 26601 1 985 . 1 1 234 234 GLU CB C 13 33.874 0.3 . 1 . . . . 233 GLU CB . 26601 1 986 . 1 1 234 234 GLU N N 15 118.618 0.3 . 1 . . . . 233 GLU N . 26601 1 987 . 1 1 235 235 ALA H H 1 8.953 0.020 . 1 . . . . 234 ALA H . 26601 1 988 . 1 1 235 235 ALA C C 13 174.762 0.3 . 1 . . . . 234 ALA C . 26601 1 989 . 1 1 235 235 ALA CA C 13 51.547 0.3 . 1 . . . . 234 ALA CA . 26601 1 990 . 1 1 235 235 ALA CB C 13 21.672 0.3 . 1 . . . . 234 ALA CB . 26601 1 991 . 1 1 235 235 ALA N N 15 122.132 0.3 . 1 . . . . 234 ALA N . 26601 1 992 . 1 1 236 236 TRP H H 1 8.462 0.020 . 1 . . . . 235 TRP H . 26601 1 993 . 1 1 236 236 TRP C C 13 176.211 0.3 . 1 . . . . 235 TRP C . 26601 1 994 . 1 1 236 236 TRP CA C 13 56.035 0.3 . 1 . . . . 235 TRP CA . 26601 1 995 . 1 1 236 236 TRP CB C 13 31.201 0.3 . 1 . . . . 235 TRP CB . 26601 1 996 . 1 1 236 236 TRP N N 15 121.760 0.3 . 1 . . . . 235 TRP N . 26601 1 997 . 1 1 237 237 GLY H H 1 8.547 0.020 . 1 . . . . 236 GLY H . 26601 1 998 . 1 1 237 237 GLY C C 13 171.997 0.3 . 1 . . . . 236 GLY C . 26601 1 999 . 1 1 237 237 GLY CA C 13 45.172 0.3 . 1 . . . . 236 GLY CA . 26601 1 1000 . 1 1 237 237 GLY N N 15 105.597 0.3 . 1 . . . . 236 GLY N . 26601 1 1001 . 1 1 238 238 ARG H H 1 6.041 0.020 . 1 . . . . 237 ARG H . 26601 1 1002 . 1 1 238 238 ARG C C 13 174.493 0.3 . 1 . . . . 237 ARG C . 26601 1 1003 . 1 1 238 238 ARG CA C 13 53.923 0.3 . 1 . . . . 237 ARG CA . 26601 1 1004 . 1 1 238 238 ARG CB C 13 31.475 0.3 . 1 . . . . 237 ARG CB . 26601 1 1005 . 1 1 238 238 ARG N N 15 117.125 0.3 . 1 . . . . 237 ARG N . 26601 1 1006 . 1 1 239 239 ALA H H 1 8.437 0.020 . 1 . . . . 238 ALA H . 26601 1 1007 . 1 1 239 239 ALA C C 13 177.452 0.3 . 1 . . . . 238 ALA C . 26601 1 1008 . 1 1 239 239 ALA CA C 13 51.770 0.3 . 1 . . . . 238 ALA CA . 26601 1 1009 . 1 1 239 239 ALA CB C 13 18.176 0.3 . 1 . . . . 238 ALA CB . 26601 1 1010 . 1 1 239 239 ALA N N 15 126.442 0.3 . 1 . . . . 238 ALA N . 26601 1 1011 . 1 1 240 240 ASP H H 1 8.257 0.020 . 1 . . . . 239 ASP H . 26601 1 1012 . 1 1 240 240 ASP C C 13 174.986 0.3 . 1 . . . . 239 ASP C . 26601 1 1013 . 1 1 240 240 ASP CA C 13 53.562 0.3 . 1 . . . . 239 ASP CA . 26601 1 1014 . 1 1 240 240 ASP CB C 13 39.975 0.3 . 1 . . . . 239 ASP CB . 26601 1 1015 . 1 1 240 240 ASP N N 15 120.724 0.3 . 1 . . . . 239 ASP N . 26601 1 1016 . 1 1 241 241 SER H H 1 7.634 0.020 . 1 . . . . 240 SER H . 26601 1 1017 . 1 1 241 241 SER C C 13 178.513 0.3 . 1 . . . . 240 SER C . 26601 1 1018 . 1 1 241 241 SER CA C 13 59.286 0.3 . 1 . . . . 240 SER CA . 26601 1 1019 . 1 1 241 241 SER CB C 13 63.967 0.3 . 1 . . . . 240 SER CB . 26601 1 1020 . 1 1 241 241 SER N N 15 121.423 0.3 . 1 . . . . 240 SER N . 26601 1 stop_ save_