data_26600 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26600 _Entry.Title ; Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 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. . . 26600 2 Haribabu Arthanari . . . . 26600 3 Ellis Reinherz . L. . . 26600 4 Gerhard Wagner . . . . 26600 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26600 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 580 26600 '15N chemical shifts' 198 26600 '1H chemical shifts' 198 26600 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' 26600 1 . . 2015-07-14 2015-07-06 original author 'original release' 26600 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26601 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N30 beta subunit' 26600 BMRB 26602 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor D10 beta subunit' 26600 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26600 _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. . . 26600 1 2 Ellis Reinherz . L. . . 26600 1 3 Gerhard Wagner . . . . 26600 1 4 Haribabu Arthanari . . . . 26600 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MHC 26600 1 'T-cell Receptor (TCR)' 26600 1 immunology 26600 1 'protein refolding' 26600 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26600 _Assembly.ID 1 _Assembly.Name 'N15alphabetaTCR, pTalpha/N15beta' _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 $N15_beta_TCR A . yes native no no . . . 26600 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 23 23 SG . 1 . 1 CYS 91 91 SG . . . . . . . . . . 26600 1 2 disulfide single . 1 . 1 CYS 143 143 SG . 1 . 1 CYS 204 204 SG . . . . . . . . . . 26600 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 3Q5Y . . X-ray 1.9 'Same construct' . 26600 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N15_beta_TCR _Entity.Sf_category entity _Entity.Sf_framecode N15_beta_TCR _Entity.Entry_ID 26600 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N15_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 ; DSGVVQSPRHIIKEKGGRSV LTCIPISGHSNVVWYQQTLG KELKFLIQHYEKVERDKGFL PSRFSVQQFDDYHSEMNMSA LELEDSAMYFCASSLRWGDE QYFGPGTRLTVLEDLRNVTP PKVSLFEPSKAEIANKQKAT LVCLARGFFPDHVELSWWVN GKEVHSGVSTDPQAYKESNY SYSLSSRLRVSATFWHNPRN HFRCQVQFHGLSEEDKWPEG SPKPVTQNISAEAWGRADS ; _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 239 _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 C239S _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 1 ASP . 26600 1 2 2 SER . 26600 1 3 3 GLY . 26600 1 4 4 VAL . 26600 1 5 5 VAL . 26600 1 6 6 GLN . 26600 1 7 7 SER . 26600 1 8 8 PRO . 26600 1 9 9 ARG . 26600 1 10 10 HIS . 26600 1 11 11 ILE . 26600 1 12 12 ILE . 26600 1 13 13 LYS . 26600 1 14 14 GLU . 26600 1 15 15 LYS . 26600 1 16 16 GLY . 26600 1 17 17 GLY . 26600 1 18 18 ARG . 26600 1 19 19 SER . 26600 1 20 20 VAL . 26600 1 21 21 LEU . 26600 1 22 22 THR . 26600 1 23 23 CYS . 26600 1 24 24 ILE . 26600 1 25 25 PRO . 26600 1 26 26 ILE . 26600 1 27 27 SER . 26600 1 28 28 GLY . 26600 1 29 29 HIS . 26600 1 30 30 SER . 26600 1 31 31 ASN . 26600 1 32 32 VAL . 26600 1 33 33 VAL . 26600 1 34 34 TRP . 26600 1 35 35 TYR . 26600 1 36 36 GLN . 26600 1 37 37 GLN . 26600 1 38 38 THR . 26600 1 39 39 LEU . 26600 1 40 40 GLY . 26600 1 41 41 LYS . 26600 1 42 42 GLU . 26600 1 43 43 LEU . 26600 1 44 44 LYS . 26600 1 45 45 PHE . 26600 1 46 46 LEU . 26600 1 47 47 ILE . 26600 1 48 48 GLN . 26600 1 49 49 HIS . 26600 1 50 50 TYR . 26600 1 51 51 GLU . 26600 1 52 52 LYS . 26600 1 53 53 VAL . 26600 1 54 54 GLU . 26600 1 55 55 ARG . 26600 1 56 56 ASP . 26600 1 57 57 LYS . 26600 1 58 58 GLY . 26600 1 59 59 PHE . 26600 1 60 60 LEU . 26600 1 61 61 PRO . 26600 1 62 62 SER . 26600 1 63 63 ARG . 26600 1 64 64 PHE . 26600 1 65 65 SER . 26600 1 66 66 VAL . 26600 1 67 67 GLN . 26600 1 68 68 GLN . 26600 1 69 69 PHE . 26600 1 70 70 ASP . 26600 1 71 71 ASP . 26600 1 72 72 TYR . 26600 1 73 73 HIS . 26600 1 74 74 SER . 26600 1 75 75 GLU . 26600 1 76 76 MET . 26600 1 77 77 ASN . 26600 1 78 78 MET . 26600 1 79 79 SER . 26600 1 80 80 ALA . 26600 1 81 81 LEU . 26600 1 82 82 GLU . 26600 1 83 83 LEU . 26600 1 84 84 GLU . 26600 1 85 85 ASP . 26600 1 86 86 SER . 26600 1 87 87 ALA . 26600 1 88 88 MET . 26600 1 89 89 TYR . 26600 1 90 90 PHE . 26600 1 91 91 CYS . 26600 1 92 92 ALA . 26600 1 93 93 SER . 26600 1 94 94 SER . 26600 1 95 95 LEU . 26600 1 96 96 ARG . 26600 1 97 97 TRP . 26600 1 98 98 GLY . 26600 1 99 99 ASP . 26600 1 100 100 GLU . 26600 1 101 101 GLN . 26600 1 102 102 TYR . 26600 1 103 103 PHE . 26600 1 104 104 GLY . 26600 1 105 105 PRO . 26600 1 106 106 GLY . 26600 1 107 107 THR . 26600 1 108 108 ARG . 26600 1 109 109 LEU . 26600 1 110 110 THR . 26600 1 111 111 VAL . 26600 1 112 112 LEU . 26600 1 113 113 GLU . 26600 1 114 114 ASP . 26600 1 115 115 LEU . 26600 1 116 116 ARG . 26600 1 117 117 ASN . 26600 1 118 118 VAL . 26600 1 119 119 THR . 26600 1 120 120 PRO . 26600 1 121 121 PRO . 26600 1 122 122 LYS . 26600 1 123 123 VAL . 26600 1 124 124 SER . 26600 1 125 125 LEU . 26600 1 126 126 PHE . 26600 1 127 127 GLU . 26600 1 128 128 PRO . 26600 1 129 129 SER . 26600 1 130 130 LYS . 26600 1 131 131 ALA . 26600 1 132 132 GLU . 26600 1 133 133 ILE . 26600 1 134 134 ALA . 26600 1 135 135 ASN . 26600 1 136 136 LYS . 26600 1 137 137 GLN . 26600 1 138 138 LYS . 26600 1 139 139 ALA . 26600 1 140 140 THR . 26600 1 141 141 LEU . 26600 1 142 142 VAL . 26600 1 143 143 CYS . 26600 1 144 144 LEU . 26600 1 145 145 ALA . 26600 1 146 146 ARG . 26600 1 147 147 GLY . 26600 1 148 148 PHE . 26600 1 149 149 PHE . 26600 1 150 150 PRO . 26600 1 151 151 ASP . 26600 1 152 152 HIS . 26600 1 153 153 VAL . 26600 1 154 154 GLU . 26600 1 155 155 LEU . 26600 1 156 156 SER . 26600 1 157 157 TRP . 26600 1 158 158 TRP . 26600 1 159 159 VAL . 26600 1 160 160 ASN . 26600 1 161 161 GLY . 26600 1 162 162 LYS . 26600 1 163 163 GLU . 26600 1 164 164 VAL . 26600 1 165 165 HIS . 26600 1 166 166 SER . 26600 1 167 167 GLY . 26600 1 168 168 VAL . 26600 1 169 169 SER . 26600 1 170 170 THR . 26600 1 171 171 ASP . 26600 1 172 172 PRO . 26600 1 173 173 GLN . 26600 1 174 174 ALA . 26600 1 175 175 TYR . 26600 1 176 176 LYS . 26600 1 177 177 GLU . 26600 1 178 178 SER . 26600 1 179 179 ASN . 26600 1 180 180 TYR . 26600 1 181 181 SER . 26600 1 182 182 TYR . 26600 1 183 183 SER . 26600 1 184 184 LEU . 26600 1 185 185 SER . 26600 1 186 186 SER . 26600 1 187 187 ARG . 26600 1 188 188 LEU . 26600 1 189 189 ARG . 26600 1 190 190 VAL . 26600 1 191 191 SER . 26600 1 192 192 ALA . 26600 1 193 193 THR . 26600 1 194 194 PHE . 26600 1 195 195 TRP . 26600 1 196 196 HIS . 26600 1 197 197 ASN . 26600 1 198 198 PRO . 26600 1 199 199 ARG . 26600 1 200 200 ASN . 26600 1 201 201 HIS . 26600 1 202 202 PHE . 26600 1 203 203 ARG . 26600 1 204 204 CYS . 26600 1 205 205 GLN . 26600 1 206 206 VAL . 26600 1 207 207 GLN . 26600 1 208 208 PHE . 26600 1 209 209 HIS . 26600 1 210 210 GLY . 26600 1 211 211 LEU . 26600 1 212 212 SER . 26600 1 213 213 GLU . 26600 1 214 214 GLU . 26600 1 215 215 ASP . 26600 1 216 216 LYS . 26600 1 217 217 TRP . 26600 1 218 218 PRO . 26600 1 219 219 GLU . 26600 1 220 220 GLY . 26600 1 221 221 SER . 26600 1 222 222 PRO . 26600 1 223 223 LYS . 26600 1 224 224 PRO . 26600 1 225 225 VAL . 26600 1 226 226 THR . 26600 1 227 227 GLN . 26600 1 228 228 ASN . 26600 1 229 229 ILE . 26600 1 230 230 SER . 26600 1 231 231 ALA . 26600 1 232 232 GLU . 26600 1 233 233 ALA . 26600 1 234 234 TRP . 26600 1 235 235 GLY . 26600 1 236 236 ARG . 26600 1 237 237 ALA . 26600 1 238 238 ASP . 26600 1 239 239 SER . 26600 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 . ASP 1 1 26600 1 . SER 2 2 26600 1 . GLY 3 3 26600 1 . VAL 4 4 26600 1 . VAL 5 5 26600 1 . GLN 6 6 26600 1 . SER 7 7 26600 1 . PRO 8 8 26600 1 . ARG 9 9 26600 1 . HIS 10 10 26600 1 . ILE 11 11 26600 1 . ILE 12 12 26600 1 . LYS 13 13 26600 1 . GLU 14 14 26600 1 . LYS 15 15 26600 1 . GLY 16 16 26600 1 . GLY 17 17 26600 1 . ARG 18 18 26600 1 . SER 19 19 26600 1 . VAL 20 20 26600 1 . LEU 21 21 26600 1 . THR 22 22 26600 1 . CYS 23 23 26600 1 . ILE 24 24 26600 1 . PRO 25 25 26600 1 . ILE 26 26 26600 1 . SER 27 27 26600 1 . GLY 28 28 26600 1 . HIS 29 29 26600 1 . SER 30 30 26600 1 . ASN 31 31 26600 1 . VAL 32 32 26600 1 . VAL 33 33 26600 1 . TRP 34 34 26600 1 . TYR 35 35 26600 1 . GLN 36 36 26600 1 . GLN 37 37 26600 1 . THR 38 38 26600 1 . LEU 39 39 26600 1 . GLY 40 40 26600 1 . LYS 41 41 26600 1 . GLU 42 42 26600 1 . LEU 43 43 26600 1 . LYS 44 44 26600 1 . PHE 45 45 26600 1 . LEU 46 46 26600 1 . ILE 47 47 26600 1 . GLN 48 48 26600 1 . HIS 49 49 26600 1 . TYR 50 50 26600 1 . GLU 51 51 26600 1 . LYS 52 52 26600 1 . VAL 53 53 26600 1 . GLU 54 54 26600 1 . ARG 55 55 26600 1 . ASP 56 56 26600 1 . LYS 57 57 26600 1 . GLY 58 58 26600 1 . PHE 59 59 26600 1 . LEU 60 60 26600 1 . PRO 61 61 26600 1 . SER 62 62 26600 1 . ARG 63 63 26600 1 . PHE 64 64 26600 1 . SER 65 65 26600 1 . VAL 66 66 26600 1 . GLN 67 67 26600 1 . GLN 68 68 26600 1 . PHE 69 69 26600 1 . ASP 70 70 26600 1 . ASP 71 71 26600 1 . TYR 72 72 26600 1 . HIS 73 73 26600 1 . SER 74 74 26600 1 . GLU 75 75 26600 1 . MET 76 76 26600 1 . ASN 77 77 26600 1 . MET 78 78 26600 1 . SER 79 79 26600 1 . ALA 80 80 26600 1 . LEU 81 81 26600 1 . GLU 82 82 26600 1 . LEU 83 83 26600 1 . GLU 84 84 26600 1 . ASP 85 85 26600 1 . SER 86 86 26600 1 . ALA 87 87 26600 1 . MET 88 88 26600 1 . TYR 89 89 26600 1 . PHE 90 90 26600 1 . CYS 91 91 26600 1 . ALA 92 92 26600 1 . SER 93 93 26600 1 . SER 94 94 26600 1 . LEU 95 95 26600 1 . ARG 96 96 26600 1 . TRP 97 97 26600 1 . GLY 98 98 26600 1 . ASP 99 99 26600 1 . GLU 100 100 26600 1 . GLN 101 101 26600 1 . TYR 102 102 26600 1 . PHE 103 103 26600 1 . GLY 104 104 26600 1 . PRO 105 105 26600 1 . GLY 106 106 26600 1 . THR 107 107 26600 1 . ARG 108 108 26600 1 . LEU 109 109 26600 1 . THR 110 110 26600 1 . VAL 111 111 26600 1 . LEU 112 112 26600 1 . GLU 113 113 26600 1 . ASP 114 114 26600 1 . LEU 115 115 26600 1 . ARG 116 116 26600 1 . ASN 117 117 26600 1 . VAL 118 118 26600 1 . THR 119 119 26600 1 . PRO 120 120 26600 1 . PRO 121 121 26600 1 . LYS 122 122 26600 1 . VAL 123 123 26600 1 . SER 124 124 26600 1 . LEU 125 125 26600 1 . PHE 126 126 26600 1 . GLU 127 127 26600 1 . PRO 128 128 26600 1 . SER 129 129 26600 1 . LYS 130 130 26600 1 . ALA 131 131 26600 1 . GLU 132 132 26600 1 . ILE 133 133 26600 1 . ALA 134 134 26600 1 . ASN 135 135 26600 1 . LYS 136 136 26600 1 . GLN 137 137 26600 1 . LYS 138 138 26600 1 . ALA 139 139 26600 1 . THR 140 140 26600 1 . LEU 141 141 26600 1 . VAL 142 142 26600 1 . CYS 143 143 26600 1 . LEU 144 144 26600 1 . ALA 145 145 26600 1 . ARG 146 146 26600 1 . GLY 147 147 26600 1 . PHE 148 148 26600 1 . PHE 149 149 26600 1 . PRO 150 150 26600 1 . ASP 151 151 26600 1 . HIS 152 152 26600 1 . VAL 153 153 26600 1 . GLU 154 154 26600 1 . LEU 155 155 26600 1 . SER 156 156 26600 1 . TRP 157 157 26600 1 . TRP 158 158 26600 1 . VAL 159 159 26600 1 . ASN 160 160 26600 1 . GLY 161 161 26600 1 . LYS 162 162 26600 1 . GLU 163 163 26600 1 . VAL 164 164 26600 1 . HIS 165 165 26600 1 . SER 166 166 26600 1 . GLY 167 167 26600 1 . VAL 168 168 26600 1 . SER 169 169 26600 1 . THR 170 170 26600 1 . ASP 171 171 26600 1 . PRO 172 172 26600 1 . GLN 173 173 26600 1 . ALA 174 174 26600 1 . TYR 175 175 26600 1 . LYS 176 176 26600 1 . GLU 177 177 26600 1 . SER 178 178 26600 1 . ASN 179 179 26600 1 . TYR 180 180 26600 1 . SER 181 181 26600 1 . TYR 182 182 26600 1 . SER 183 183 26600 1 . LEU 184 184 26600 1 . SER 185 185 26600 1 . SER 186 186 26600 1 . ARG 187 187 26600 1 . LEU 188 188 26600 1 . ARG 189 189 26600 1 . VAL 190 190 26600 1 . SER 191 191 26600 1 . ALA 192 192 26600 1 . THR 193 193 26600 1 . PHE 194 194 26600 1 . TRP 195 195 26600 1 . HIS 196 196 26600 1 . ASN 197 197 26600 1 . PRO 198 198 26600 1 . ARG 199 199 26600 1 . ASN 200 200 26600 1 . HIS 201 201 26600 1 . PHE 202 202 26600 1 . ARG 203 203 26600 1 . CYS 204 204 26600 1 . GLN 205 205 26600 1 . VAL 206 206 26600 1 . GLN 207 207 26600 1 . PHE 208 208 26600 1 . HIS 209 209 26600 1 . GLY 210 210 26600 1 . LEU 211 211 26600 1 . SER 212 212 26600 1 . GLU 213 213 26600 1 . GLU 214 214 26600 1 . ASP 215 215 26600 1 . LYS 216 216 26600 1 . TRP 217 217 26600 1 . PRO 218 218 26600 1 . GLU 219 219 26600 1 . GLY 220 220 26600 1 . SER 221 221 26600 1 . PRO 222 222 26600 1 . LYS 223 223 26600 1 . PRO 224 224 26600 1 . VAL 225 225 26600 1 . THR 226 226 26600 1 . GLN 227 227 26600 1 . ASN 228 228 26600 1 . ILE 229 229 26600 1 . SER 230 230 26600 1 . ALA 231 231 26600 1 . GLU 232 232 26600 1 . ALA 233 233 26600 1 . TRP 234 234 26600 1 . GLY 235 235 26600 1 . ARG 236 236 26600 1 . ALA 237 237 26600 1 . ASP 238 238 26600 1 . SER 239 239 26600 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 26600 _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 $N15_beta_TCR . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 26600 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 26600 _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 $N15_beta_TCR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet11d . . . 26600 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26600 _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 'N15 beta TCR' '[U-13C; U-15N; U-2H]' . . 1 $N15_beta_TCR . . 0.4 . . mM . . . . 26600 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26600 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26600 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26600 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26600 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 26600 _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 26600 1 pH 7 . pH 26600 1 pressure 1 . atm 26600 1 temperature 298 . K 26600 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26600 _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' . . 26600 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26600 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 26600 _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 26600 _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 26600 _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 26600 _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 . . . 26600 1 2 spectrometer_2 Bruker Avance . 600 . . . 26600 1 3 spectrometer_3 Varian INOVA . 600 . . . 26600 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 26600 _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 . . . . . . . . . . . . . . . . 26600 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 26600 _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 . . . . . 26600 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 26600 1 N 15 water protons . . . . ppm 4.7 internal indirect 1 . . . . . 26600 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 26600 _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' . . . 26600 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 8.291 0.020 . 1 . . . . 2 SER H . 26600 1 2 . 1 1 2 2 SER C C 13 174.287 0.3 . 1 . . . . 2 SER C . 26600 1 3 . 1 1 2 2 SER CA C 13 57.881 0.3 . 1 . . . . 2 SER CA . 26600 1 4 . 1 1 2 2 SER CB C 13 63.608 0.3 . 1 . . . . 2 SER CB . 26600 1 5 . 1 1 2 2 SER N N 15 116.611 0.3 . 1 . . . . 2 SER N . 26600 1 6 . 1 1 3 3 GLY H H 1 8.032 0.020 . 1 . . . . 3 GLY H . 26600 1 7 . 1 1 3 3 GLY C C 13 172.803 0.3 . 1 . . . . 3 GLY C . 26600 1 8 . 1 1 3 3 GLY CA C 13 44.025 0.3 . 1 . . . . 3 GLY CA . 26600 1 9 . 1 1 3 3 GLY N N 15 110.072 0.3 . 1 . . . . 3 GLY N . 26600 1 10 . 1 1 4 4 VAL H H 1 8.105 0.020 . 1 . . . . 4 VAL H . 26600 1 11 . 1 1 4 4 VAL C C 13 176.118 0.3 . 1 . . . . 4 VAL C . 26600 1 12 . 1 1 4 4 VAL CA C 13 62.940 0.3 . 1 . . . . 4 VAL CA . 26600 1 13 . 1 1 4 4 VAL CB C 13 31.533 0.3 . 1 . . . . 4 VAL CB . 26600 1 14 . 1 1 4 4 VAL N N 15 123.962 0.3 . 1 . . . . 4 VAL N . 26600 1 15 . 1 1 5 5 VAL H H 1 8.219 0.020 . 1 . . . . 5 VAL H . 26600 1 16 . 1 1 5 5 VAL C C 13 175.625 0.3 . 1 . . . . 5 VAL C . 26600 1 17 . 1 1 5 5 VAL CA C 13 60.693 0.3 . 1 . . . . 5 VAL CA . 26600 1 18 . 1 1 5 5 VAL CB C 13 33.162 0.3 . 1 . . . . 5 VAL CB . 26600 1 19 . 1 1 5 5 VAL N N 15 128.920 0.3 . 1 . . . . 5 VAL N . 26600 1 20 . 1 1 6 6 GLN H H 1 8.153 0.020 . 1 . . . . 6 GLN H . 26600 1 21 . 1 1 6 6 GLN C C 13 174.427 0.3 . 1 . . . . 6 GLN C . 26600 1 22 . 1 1 6 6 GLN CA C 13 54.588 0.3 . 1 . . . . 6 GLN CA . 26600 1 23 . 1 1 6 6 GLN CB C 13 34.469 0.3 . 1 . . . . 6 GLN CB . 26600 1 24 . 1 1 6 6 GLN N N 15 123.261 0.3 . 1 . . . . 6 GLN N . 26600 1 25 . 1 1 7 7 SER H H 1 8.210 0.020 . 1 . . . . 7 SER H . 26600 1 26 . 1 1 7 7 SER C C 13 171.959 0.3 . 1 . . . . 7 SER C . 26600 1 27 . 1 1 7 7 SER CA C 13 54.664 0.3 . 1 . . . . 7 SER CA . 26600 1 28 . 1 1 7 7 SER CB C 13 64.205 0.3 . 1 . . . . 7 SER CB . 26600 1 29 . 1 1 7 7 SER N N 15 115.582 0.3 . 1 . . . . 7 SER N . 26600 1 30 . 1 1 10 10 HIS H H 1 7.622 0.020 . 1 . . . . 10 HIS H . 26600 1 31 . 1 1 10 10 HIS C C 13 174.399 0.3 . 1 . . . . 10 HIS C . 26600 1 32 . 1 1 10 10 HIS CA C 13 55.253 0.3 . 1 . . . . 10 HIS CA . 26600 1 33 . 1 1 10 10 HIS CB C 13 33.844 0.3 . 1 . . . . 10 HIS CB . 26600 1 34 . 1 1 10 10 HIS N N 15 118.695 0.3 . 1 . . . . 10 HIS N . 26600 1 35 . 1 1 11 11 ILE H H 1 8.829 0.020 . 1 . . . . 11 ILE H . 26600 1 36 . 1 1 11 11 ILE C C 13 172.905 0.3 . 1 . . . . 11 ILE C . 26600 1 37 . 1 1 11 11 ILE CA C 13 60.324 0.3 . 1 . . . . 11 ILE CA . 26600 1 38 . 1 1 11 11 ILE CB C 13 40.913 0.3 . 1 . . . . 11 ILE CB . 26600 1 39 . 1 1 11 11 ILE N N 15 121.375 0.3 . 1 . . . . 11 ILE N . 26600 1 40 . 1 1 12 12 ILE H H 1 8.131 0.020 . 1 . . . . 12 ILE H . 26600 1 41 . 1 1 12 12 ILE C C 13 175.152 0.3 . 1 . . . . 12 ILE C . 26600 1 42 . 1 1 12 12 ILE CA C 13 59.407 0.3 . 1 . . . . 12 ILE CA . 26600 1 43 . 1 1 12 12 ILE CB C 13 38.975 0.3 . 1 . . . . 12 ILE CB . 26600 1 44 . 1 1 12 12 ILE N N 15 128.031 0.3 . 1 . . . . 12 ILE N . 26600 1 45 . 1 1 13 13 LYS H H 1 8.519 0.020 . 1 . . . . 13 LYS H . 26600 1 46 . 1 1 13 13 LYS C C 13 173.862 0.3 . 1 . . . . 13 LYS C . 26600 1 47 . 1 1 13 13 LYS CA C 13 51.208 0.3 . 1 . . . . 13 LYS CA . 26600 1 48 . 1 1 13 13 LYS CB C 13 36.862 0.3 . 1 . . . . 13 LYS CB . 26600 1 49 . 1 1 13 13 LYS N N 15 124.896 0.3 . 1 . . . . 13 LYS N . 26600 1 50 . 1 1 14 14 GLU H H 1 8.860 0.020 . 1 . . . . 14 GLU H . 26600 1 51 . 1 1 14 14 GLU C C 13 175.608 0.3 . 1 . . . . 14 GLU C . 26600 1 52 . 1 1 14 14 GLU CA C 13 54.189 0.3 . 1 . . . . 14 GLU CA . 26600 1 53 . 1 1 14 14 GLU CB C 13 30.380 0.3 . 1 . . . . 14 GLU CB . 26600 1 54 . 1 1 14 14 GLU N N 15 121.852 0.3 . 1 . . . . 14 GLU N . 26600 1 55 . 1 1 15 15 LYS H H 1 7.914 0.020 . 1 . . . . 15 LYS H . 26600 1 56 . 1 1 15 15 LYS C C 13 176.733 0.3 . 1 . . . . 15 LYS C . 26600 1 57 . 1 1 15 15 LYS CA C 13 57.237 0.3 . 1 . . . . 15 LYS CA . 26600 1 58 . 1 1 15 15 LYS CB C 13 31.486 0.3 . 1 . . . . 15 LYS CB . 26600 1 59 . 1 1 15 15 LYS N N 15 123.305 0.3 . 1 . . . . 15 LYS N . 26600 1 60 . 1 1 16 16 GLY H H 1 9.985 0.020 . 1 . . . . 16 GLY H . 26600 1 61 . 1 1 16 16 GLY C C 13 175.110 0.3 . 1 . . . . 16 GLY C . 26600 1 62 . 1 1 16 16 GLY CA C 13 44.274 0.3 . 1 . . . . 16 GLY CA . 26600 1 63 . 1 1 16 16 GLY N N 15 117.118 0.3 . 1 . . . . 16 GLY N . 26600 1 64 . 1 1 17 17 GLY H H 1 8.361 0.020 . 1 . . . . 17 GLY H . 26600 1 65 . 1 1 17 17 GLY C C 13 169.749 0.3 . 1 . . . . 17 GLY C . 26600 1 66 . 1 1 17 17 GLY CA C 13 44.096 0.3 . 1 . . . . 17 GLY CA . 26600 1 67 . 1 1 17 17 GLY N N 15 109.521 0.3 . 1 . . . . 17 GLY N . 26600 1 68 . 1 1 18 18 ARG H H 1 7.981 0.020 . 1 . . . . 18 ARG H . 26600 1 69 . 1 1 18 18 ARG C C 13 175.291 0.3 . 1 . . . . 18 ARG C . 26600 1 70 . 1 1 18 18 ARG CA C 13 53.305 0.3 . 1 . . . . 18 ARG CA . 26600 1 71 . 1 1 18 18 ARG CB C 13 32.781 0.3 . 1 . . . . 18 ARG CB . 26600 1 72 . 1 1 18 18 ARG N N 15 114.666 0.3 . 1 . . . . 18 ARG N . 26600 1 73 . 1 1 19 19 SER H H 1 8.367 0.020 . 1 . . . . 19 SER H . 26600 1 74 . 1 1 19 19 SER C C 13 172.200 0.3 . 1 . . . . 19 SER C . 26600 1 75 . 1 1 19 19 SER CA C 13 57.201 0.3 . 1 . . . . 19 SER CA . 26600 1 76 . 1 1 19 19 SER CB C 13 65.916 0.3 . 1 . . . . 19 SER CB . 26600 1 77 . 1 1 19 19 SER N N 15 114.530 0.3 . 1 . . . . 19 SER N . 26600 1 78 . 1 1 20 20 VAL H H 1 7.719 0.020 . 1 . . . . 20 VAL H . 26600 1 79 . 1 1 20 20 VAL C C 13 174.802 0.3 . 1 . . . . 20 VAL C . 26600 1 80 . 1 1 20 20 VAL CA C 13 60.673 0.3 . 1 . . . . 20 VAL CA . 26600 1 81 . 1 1 20 20 VAL CB C 13 33.128 0.3 . 1 . . . . 20 VAL CB . 26600 1 82 . 1 1 20 20 VAL N N 15 121.332 0.3 . 1 . . . . 20 VAL N . 26600 1 83 . 1 1 21 21 LEU H H 1 8.917 0.020 . 1 . . . . 21 LEU H . 26600 1 84 . 1 1 21 21 LEU C C 13 175.899 0.3 . 1 . . . . 21 LEU C . 26600 1 85 . 1 1 21 21 LEU CA C 13 54.114 0.3 . 1 . . . . 21 LEU CA . 26600 1 86 . 1 1 21 21 LEU CB C 13 41.988 0.3 . 1 . . . . 21 LEU CB . 26600 1 87 . 1 1 21 21 LEU N N 15 131.332 0.3 . 1 . . . . 21 LEU N . 26600 1 88 . 1 1 22 22 THR H H 1 9.033 0.020 . 1 . . . . 22 THR H . 26600 1 89 . 1 1 22 22 THR C C 13 173.711 0.3 . 1 . . . . 22 THR C . 26600 1 90 . 1 1 22 22 THR CA C 13 62.546 0.3 . 1 . . . . 22 THR CA . 26600 1 91 . 1 1 22 22 THR CB C 13 70.012 0.3 . 1 . . . . 22 THR CB . 26600 1 92 . 1 1 22 22 THR N N 15 116.739 0.3 . 1 . . . . 22 THR N . 26600 1 93 . 1 1 23 23 CYS H H 1 9.375 0.020 . 1 . . . . 23 CYS H . 26600 1 94 . 1 1 23 23 CYS C C 13 172.771 0.3 . 1 . . . . 23 CYS C . 26600 1 95 . 1 1 23 23 CYS CA C 13 53.653 0.3 . 1 . . . . 23 CYS CA . 26600 1 96 . 1 1 23 23 CYS CB C 13 44.461 0.3 . 1 . . . . 23 CYS CB . 26600 1 97 . 1 1 23 23 CYS N N 15 127.095 0.3 . 1 . . . . 23 CYS N . 26600 1 98 . 1 1 24 24 ILE H H 1 9.491 0.020 . 1 . . . . 24 ILE H . 26600 1 99 . 1 1 24 24 ILE C C 13 173.577 0.3 . 1 . . . . 24 ILE C . 26600 1 100 . 1 1 24 24 ILE CA C 13 57.190 0.3 . 1 . . . . 24 ILE CA . 26600 1 101 . 1 1 24 24 ILE CB C 13 37.311 0.3 . 1 . . . . 24 ILE CB . 26600 1 102 . 1 1 24 24 ILE N N 15 130.915 0.3 . 1 . . . . 24 ILE N . 26600 1 103 . 1 1 26 26 ILE H H 1 6.472 0.020 . 1 . . . . 26 ILE H . 26600 1 104 . 1 1 26 26 ILE C C 13 175.742 0.3 . 1 . . . . 26 ILE C . 26600 1 105 . 1 1 26 26 ILE CA C 13 61.927 0.3 . 1 . . . . 26 ILE CA . 26600 1 106 . 1 1 26 26 ILE CB C 13 35.770 0.3 . 1 . . . . 26 ILE CB . 26600 1 107 . 1 1 26 26 ILE N N 15 122.094 0.3 . 1 . . . . 26 ILE N . 26600 1 108 . 1 1 27 27 SER H H 1 7.969 0.020 . 1 . . . . 27 SER H . 26600 1 109 . 1 1 27 27 SER C C 13 175.158 0.3 . 1 . . . . 27 SER C . 26600 1 110 . 1 1 27 27 SER CA C 13 59.716 0.3 . 1 . . . . 27 SER CA . 26600 1 111 . 1 1 27 27 SER CB C 13 61.901 0.3 . 1 . . . . 27 SER CB . 26600 1 112 . 1 1 27 27 SER N N 15 120.846 0.3 . 1 . . . . 27 SER N . 26600 1 113 . 1 1 28 28 GLY H H 1 8.325 0.020 . 1 . . . . 28 GLY H . 26600 1 114 . 1 1 28 28 GLY C C 13 174.349 0.3 . 1 . . . . 28 GLY C . 26600 1 115 . 1 1 28 28 GLY CA C 13 44.486 0.3 . 1 . . . . 28 GLY CA . 26600 1 116 . 1 1 28 28 GLY N N 15 115.667 0.3 . 1 . . . . 28 GLY N . 26600 1 117 . 1 1 29 29 HIS H H 1 8.462 0.020 . 1 . . . . 29 HIS H . 26600 1 118 . 1 1 29 29 HIS C C 13 175.767 0.3 . 1 . . . . 29 HIS C . 26600 1 119 . 1 1 29 29 HIS CA C 13 56.081 0.3 . 1 . . . . 29 HIS CA . 26600 1 120 . 1 1 29 29 HIS CB C 13 31.418 0.3 . 1 . . . . 29 HIS CB . 26600 1 121 . 1 1 29 29 HIS N N 15 121.168 0.3 . 1 . . . . 29 HIS N . 26600 1 122 . 1 1 30 30 SER H H 1 7.849 0.020 . 1 . . . . 30 SER H . 26600 1 123 . 1 1 30 30 SER C C 13 173.728 0.3 . 1 . . . . 30 SER C . 26600 1 124 . 1 1 30 30 SER CA C 13 57.293 0.3 . 1 . . . . 30 SER CA . 26600 1 125 . 1 1 30 30 SER CB C 13 64.348 0.3 . 1 . . . . 30 SER CB . 26600 1 126 . 1 1 30 30 SER N N 15 112.981 0.3 . 1 . . . . 30 SER N . 26600 1 127 . 1 1 31 31 ASN H H 1 8.052 0.020 . 1 . . . . 31 ASN H . 26600 1 128 . 1 1 31 31 ASN C C 13 173.601 0.3 . 1 . . . . 31 ASN C . 26600 1 129 . 1 1 31 31 ASN CA C 13 52.358 0.3 . 1 . . . . 31 ASN CA . 26600 1 130 . 1 1 31 31 ASN CB C 13 40.624 0.3 . 1 . . . . 31 ASN CB . 26600 1 131 . 1 1 31 31 ASN N N 15 124.231 0.3 . 1 . . . . 31 ASN N . 26600 1 132 . 1 1 32 32 VAL H H 1 9.185 0.020 . 1 . . . . 32 VAL H . 26600 1 133 . 1 1 32 32 VAL C C 13 174.473 0.3 . 1 . . . . 32 VAL C . 26600 1 134 . 1 1 32 32 VAL CA C 13 61.430 0.3 . 1 . . . . 32 VAL CA . 26600 1 135 . 1 1 32 32 VAL CB C 13 34.398 0.3 . 1 . . . . 32 VAL CB . 26600 1 136 . 1 1 32 32 VAL N N 15 125.461 0.3 . 1 . . . . 32 VAL N . 26600 1 137 . 1 1 33 33 VAL H H 1 9.125 0.020 . 1 . . . . 33 VAL H . 26600 1 138 . 1 1 33 33 VAL C C 13 174.037 0.3 . 1 . . . . 33 VAL C . 26600 1 139 . 1 1 33 33 VAL CA C 13 59.610 0.3 . 1 . . . . 33 VAL CA . 26600 1 140 . 1 1 33 33 VAL CB C 13 34.511 0.3 . 1 . . . . 33 VAL CB . 26600 1 141 . 1 1 33 33 VAL N N 15 129.881 0.3 . 1 . . . . 33 VAL N . 26600 1 142 . 1 1 34 34 TRP H H 1 8.202 0.020 . 1 . . . . 34 TRP H . 26600 1 143 . 1 1 34 34 TRP C C 13 175.313 0.3 . 1 . . . . 34 TRP C . 26600 1 144 . 1 1 34 34 TRP CA C 13 55.537 0.3 . 1 . . . . 34 TRP CA . 26600 1 145 . 1 1 34 34 TRP CB C 13 32.403 0.3 . 1 . . . . 34 TRP CB . 26600 1 146 . 1 1 34 34 TRP N N 15 121.959 0.3 . 1 . . . . 34 TRP N . 26600 1 147 . 1 1 35 35 TYR H H 1 9.663 0.020 . 1 . . . . 35 TYR H . 26600 1 148 . 1 1 35 35 TYR C C 13 174.814 0.3 . 1 . . . . 35 TYR C . 26600 1 149 . 1 1 35 35 TYR CA C 13 56.421 0.3 . 1 . . . . 35 TYR CA . 26600 1 150 . 1 1 35 35 TYR CB C 13 44.177 0.3 . 1 . . . . 35 TYR CB . 26600 1 151 . 1 1 35 35 TYR N N 15 117.858 0.3 . 1 . . . . 35 TYR N . 26600 1 152 . 1 1 36 36 GLN H H 1 9.424 0.020 . 1 . . . . 36 GLN H . 26600 1 153 . 1 1 36 36 GLN C C 13 174.147 0.3 . 1 . . . . 36 GLN C . 26600 1 154 . 1 1 36 36 GLN CA C 13 53.346 0.3 . 1 . . . . 36 GLN CA . 26600 1 155 . 1 1 36 36 GLN CB C 13 33.382 0.3 . 1 . . . . 36 GLN CB . 26600 1 156 . 1 1 36 36 GLN N N 15 122.339 0.3 . 1 . . . . 36 GLN N . 26600 1 157 . 1 1 37 37 GLN H H 1 9.367 0.020 . 1 . . . . 37 GLN H . 26600 1 158 . 1 1 37 37 GLN C C 13 175.448 0.3 . 1 . . . . 37 GLN C . 26600 1 159 . 1 1 37 37 GLN CA C 13 54.473 0.3 . 1 . . . . 37 GLN CA . 26600 1 160 . 1 1 37 37 GLN CB C 13 31.047 0.3 . 1 . . . . 37 GLN CB . 26600 1 161 . 1 1 37 37 GLN N N 15 128.427 0.3 . 1 . . . . 37 GLN N . 26600 1 162 . 1 1 38 38 THR H H 1 9.016 0.020 . 1 . . . . 38 THR H . 26600 1 163 . 1 1 38 38 THR C C 13 174.490 0.3 . 1 . . . . 38 THR C . 26600 1 164 . 1 1 38 38 THR CA C 13 61.496 0.3 . 1 . . . . 38 THR CA . 26600 1 165 . 1 1 38 38 THR CB C 13 69.405 0.3 . 1 . . . . 38 THR CB . 26600 1 166 . 1 1 38 38 THR N N 15 125.151 0.3 . 1 . . . . 38 THR N . 26600 1 167 . 1 1 39 39 LEU H H 1 8.451 0.020 . 1 . . . . 39 LEU H . 26600 1 168 . 1 1 39 39 LEU C C 13 178.195 0.3 . 1 . . . . 39 LEU C . 26600 1 169 . 1 1 39 39 LEU CA C 13 56.530 0.3 . 1 . . . . 39 LEU CA . 26600 1 170 . 1 1 39 39 LEU CB C 13 40.496 0.3 . 1 . . . . 39 LEU CB . 26600 1 171 . 1 1 39 39 LEU N N 15 124.562 0.3 . 1 . . . . 39 LEU N . 26600 1 172 . 1 1 40 40 GLY H H 1 8.537 0.020 . 1 . . . . 40 GLY H . 26600 1 173 . 1 1 40 40 GLY C C 13 173.979 0.3 . 1 . . . . 40 GLY C . 26600 1 174 . 1 1 40 40 GLY CA C 13 45.037 0.3 . 1 . . . . 40 GLY CA . 26600 1 175 . 1 1 40 40 GLY N N 15 111.420 0.3 . 1 . . . . 40 GLY N . 26600 1 176 . 1 1 41 41 LYS H H 1 7.974 0.020 . 1 . . . . 41 LYS H . 26600 1 177 . 1 1 41 41 LYS C C 13 175.809 0.3 . 1 . . . . 41 LYS C . 26600 1 178 . 1 1 41 41 LYS CA C 13 54.580 0.3 . 1 . . . . 41 LYS CA . 26600 1 179 . 1 1 41 41 LYS CB C 13 31.162 0.3 . 1 . . . . 41 LYS CB . 26600 1 180 . 1 1 41 41 LYS N N 15 118.508 0.3 . 1 . . . . 41 LYS N . 26600 1 181 . 1 1 42 42 GLU H H 1 8.076 0.020 . 1 . . . . 42 GLU H . 26600 1 182 . 1 1 42 42 GLU C C 13 175.865 0.3 . 1 . . . . 42 GLU C . 26600 1 183 . 1 1 42 42 GLU CA C 13 55.501 0.3 . 1 . . . . 42 GLU CA . 26600 1 184 . 1 1 42 42 GLU CB C 13 29.306 0.3 . 1 . . . . 42 GLU CB . 26600 1 185 . 1 1 42 42 GLU N N 15 119.679 0.3 . 1 . . . . 42 GLU N . 26600 1 186 . 1 1 43 43 LEU H H 1 8.363 0.020 . 1 . . . . 43 LEU H . 26600 1 187 . 1 1 43 43 LEU C C 13 176.347 0.3 . 1 . . . . 43 LEU C . 26600 1 188 . 1 1 43 43 LEU CA C 13 55.041 0.3 . 1 . . . . 43 LEU CA . 26600 1 189 . 1 1 43 43 LEU CB C 13 41.655 0.3 . 1 . . . . 43 LEU CB . 26600 1 190 . 1 1 43 43 LEU N N 15 123.294 0.3 . 1 . . . . 43 LEU N . 26600 1 191 . 1 1 44 44 LYS H H 1 9.271 0.020 . 1 . . . . 44 LYS H . 26600 1 192 . 1 1 44 44 LYS C C 13 175.908 0.3 . 1 . . . . 44 LYS C . 26600 1 193 . 1 1 44 44 LYS CA C 13 54.729 0.3 . 1 . . . . 44 LYS CA . 26600 1 194 . 1 1 44 44 LYS CB C 13 33.108 0.3 . 1 . . . . 44 LYS CB . 26600 1 195 . 1 1 44 44 LYS N N 15 125.940 0.3 . 1 . . . . 44 LYS N . 26600 1 196 . 1 1 45 45 PHE H H 1 9.208 0.020 . 1 . . . . 45 PHE H . 26600 1 197 . 1 1 45 45 PHE C C 13 174.591 0.3 . 1 . . . . 45 PHE C . 26600 1 198 . 1 1 45 45 PHE CA C 13 58.392 0.3 . 1 . . . . 45 PHE CA . 26600 1 199 . 1 1 45 45 PHE CB C 13 38.765 0.3 . 1 . . . . 45 PHE CB . 26600 1 200 . 1 1 45 45 PHE N N 15 128.222 0.3 . 1 . . . . 45 PHE N . 26600 1 201 . 1 1 46 46 LEU H H 1 8.419 0.020 . 1 . . . . 46 LEU H . 26600 1 202 . 1 1 46 46 LEU C C 13 174.792 0.3 . 1 . . . . 46 LEU C . 26600 1 203 . 1 1 46 46 LEU CA C 13 55.451 0.3 . 1 . . . . 46 LEU CA . 26600 1 204 . 1 1 46 46 LEU CB C 13 41.701 0.3 . 1 . . . . 46 LEU CB . 26600 1 205 . 1 1 46 46 LEU N N 15 126.131 0.3 . 1 . . . . 46 LEU N . 26600 1 206 . 1 1 47 47 ILE H H 1 6.662 0.020 . 1 . . . . 47 ILE H . 26600 1 207 . 1 1 47 47 ILE C C 13 169.879 0.3 . 1 . . . . 47 ILE C . 26600 1 208 . 1 1 47 47 ILE CA C 13 60.476 0.3 . 1 . . . . 47 ILE CA . 26600 1 209 . 1 1 47 47 ILE CB C 13 38.539 0.3 . 1 . . . . 47 ILE CB . 26600 1 210 . 1 1 47 47 ILE N N 15 115.050 0.3 . 1 . . . . 47 ILE N . 26600 1 211 . 1 1 48 48 GLN H H 1 7.909 0.020 . 1 . . . . 48 GLN H . 26600 1 212 . 1 1 48 48 GLN C C 13 172.905 0.3 . 1 . . . . 48 GLN C . 26600 1 213 . 1 1 48 48 GLN CA C 13 53.558 0.3 . 1 . . . . 48 GLN CA . 26600 1 214 . 1 1 48 48 GLN CB C 13 31.914 0.3 . 1 . . . . 48 GLN CB . 26600 1 215 . 1 1 48 48 GLN N N 15 124.141 0.3 . 1 . . . . 48 GLN N . 26600 1 216 . 1 1 63 63 ARG H H 1 6.492 0.020 . 1 . . . . 63 ARG H . 26600 1 217 . 1 1 63 63 ARG C C 13 175.640 0.3 . 1 . . . . 63 ARG C . 26600 1 218 . 1 1 63 63 ARG CA C 13 55.836 0.3 . 1 . . . . 63 ARG CA . 26600 1 219 . 1 1 63 63 ARG CB C 13 28.602 0.3 . 1 . . . . 63 ARG CB . 26600 1 220 . 1 1 63 63 ARG N N 15 115.661 0.3 . 1 . . . . 63 ARG N . 26600 1 221 . 1 1 64 64 PHE H H 1 8.015 0.020 . 1 . . . . 64 PHE H . 26600 1 222 . 1 1 64 64 PHE C C 13 173.728 0.3 . 1 . . . . 64 PHE C . 26600 1 223 . 1 1 64 64 PHE CA C 13 52.278 0.3 . 1 . . . . 64 PHE CA . 26600 1 224 . 1 1 64 64 PHE CB C 13 38.020 0.3 . 1 . . . . 64 PHE CB . 26600 1 225 . 1 1 64 64 PHE N N 15 122.342 0.3 . 1 . . . . 64 PHE N . 26600 1 226 . 1 1 65 65 SER H H 1 8.532 0.020 . 1 . . . . 65 SER H . 26600 1 227 . 1 1 65 65 SER C C 13 172.788 0.3 . 1 . . . . 65 SER C . 26600 1 228 . 1 1 65 65 SER CA C 13 56.422 0.3 . 1 . . . . 65 SER CA . 26600 1 229 . 1 1 65 65 SER CB C 13 64.348 0.3 . 1 . . . . 65 SER CB . 26600 1 230 . 1 1 65 65 SER N N 15 113.688 0.3 . 1 . . . . 65 SER N . 26600 1 231 . 1 1 66 66 VAL H H 1 8.846 0.020 . 1 . . . . 66 VAL H . 26600 1 232 . 1 1 66 66 VAL CA C 13 59.926 0.3 . 1 . . . . 66 VAL CA . 26600 1 233 . 1 1 66 66 VAL CB C 13 31.161 0.3 . 1 . . . . 66 VAL CB . 26600 1 234 . 1 1 66 66 VAL N N 15 125.443 0.3 . 1 . . . . 66 VAL N . 26600 1 235 . 1 1 69 69 PHE H H 1 8.056 0.020 . 1 . . . . 69 PHE H . 26600 1 236 . 1 1 69 69 PHE C C 13 176.685 0.3 . 1 . . . . 69 PHE C . 26600 1 237 . 1 1 69 69 PHE CA C 13 57.520 0.3 . 1 . . . . 69 PHE CA . 26600 1 238 . 1 1 69 69 PHE CB C 13 39.949 0.3 . 1 . . . . 69 PHE CB . 26600 1 239 . 1 1 69 69 PHE N N 15 124.737 0.3 . 1 . . . . 69 PHE N . 26600 1 240 . 1 1 70 70 ASP H H 1 8.644 0.020 . 1 . . . . 70 ASP H . 26600 1 241 . 1 1 70 70 ASP C C 13 175.910 0.3 . 1 . . . . 70 ASP C . 26600 1 242 . 1 1 70 70 ASP CA C 13 56.895 0.3 . 1 . . . . 70 ASP CA . 26600 1 243 . 1 1 70 70 ASP CB C 13 39.969 0.3 . 1 . . . . 70 ASP CB . 26600 1 244 . 1 1 70 70 ASP N N 15 119.992 0.3 . 1 . . . . 70 ASP N . 26600 1 245 . 1 1 71 71 ASP H H 1 7.573 0.020 . 1 . . . . 71 ASP H . 26600 1 246 . 1 1 71 71 ASP C C 13 176.649 0.3 . 1 . . . . 71 ASP C . 26600 1 247 . 1 1 71 71 ASP CA C 13 52.621 0.3 . 1 . . . . 71 ASP CA . 26600 1 248 . 1 1 71 71 ASP CB C 13 38.539 0.3 . 1 . . . . 71 ASP CB . 26600 1 249 . 1 1 71 71 ASP N N 15 115.875 0.3 . 1 . . . . 71 ASP N . 26600 1 250 . 1 1 72 72 TYR H H 1 8.001 0.020 . 1 . . . . 72 TYR H . 26600 1 251 . 1 1 72 72 TYR C C 13 175.054 0.3 . 1 . . . . 72 TYR C . 26600 1 252 . 1 1 72 72 TYR CA C 13 60.106 0.3 . 1 . . . . 72 TYR CA . 26600 1 253 . 1 1 72 72 TYR CB C 13 34.089 0.3 . 1 . . . . 72 TYR CB . 26600 1 254 . 1 1 72 72 TYR N N 15 111.818 0.3 . 1 . . . . 72 TYR N . 26600 1 255 . 1 1 73 73 HIS H H 1 8.205 0.020 . 1 . . . . 73 HIS H . 26600 1 256 . 1 1 73 73 HIS C C 13 172.133 0.3 . 1 . . . . 73 HIS C . 26600 1 257 . 1 1 73 73 HIS CA C 13 55.655 0.3 . 1 . . . . 73 HIS CA . 26600 1 258 . 1 1 73 73 HIS CB C 13 25.484 0.3 . 1 . . . . 73 HIS CB . 26600 1 259 . 1 1 73 73 HIS N N 15 118.145 0.3 . 1 . . . . 73 HIS N . 26600 1 260 . 1 1 74 74 SER H H 1 8.914 0.020 . 1 . . . . 74 SER H . 26600 1 261 . 1 1 74 74 SER C C 13 174.231 0.3 . 1 . . . . 74 SER C . 26600 1 262 . 1 1 74 74 SER CA C 13 55.041 0.3 . 1 . . . . 74 SER CA . 26600 1 263 . 1 1 74 74 SER CB C 13 65.392 0.3 . 1 . . . . 74 SER CB . 26600 1 264 . 1 1 74 74 SER N N 15 115.192 0.3 . 1 . . . . 74 SER N . 26600 1 265 . 1 1 75 75 GLU H H 1 8.622 0.020 . 1 . . . . 75 GLU H . 26600 1 266 . 1 1 75 75 GLU C C 13 174.584 0.3 . 1 . . . . 75 GLU C . 26600 1 267 . 1 1 75 75 GLU CA C 13 53.845 0.3 . 1 . . . . 75 GLU CA . 26600 1 268 . 1 1 75 75 GLU CB C 13 32.012 0.3 . 1 . . . . 75 GLU CB . 26600 1 269 . 1 1 75 75 GLU N N 15 124.731 0.3 . 1 . . . . 75 GLU N . 26600 1 270 . 1 1 76 76 MET H H 1 9.091 0.020 . 1 . . . . 76 MET H . 26600 1 271 . 1 1 76 76 MET C C 13 173.174 0.3 . 1 . . . . 76 MET C . 26600 1 272 . 1 1 76 76 MET CA C 13 53.238 0.3 . 1 . . . . 76 MET CA . 26600 1 273 . 1 1 76 76 MET CB C 13 33.199 0.3 . 1 . . . . 76 MET CB . 26600 1 274 . 1 1 76 76 MET N N 15 124.863 0.3 . 1 . . . . 76 MET N . 26600 1 275 . 1 1 77 77 ASN H H 1 9.234 0.020 . 1 . . . . 77 ASN H . 26600 1 276 . 1 1 77 77 ASN C C 13 174.231 0.3 . 1 . . . . 77 ASN C . 26600 1 277 . 1 1 77 77 ASN CA C 13 52.296 0.3 . 1 . . . . 77 ASN CA . 26600 1 278 . 1 1 77 77 ASN CB C 13 39.281 0.3 . 1 . . . . 77 ASN CB . 26600 1 279 . 1 1 77 77 ASN N N 15 127.567 0.3 . 1 . . . . 77 ASN N . 26600 1 280 . 1 1 78 78 MET H H 1 8.678 0.020 . 1 . . . . 78 MET H . 26600 1 281 . 1 1 78 78 MET C C 13 173.911 0.3 . 1 . . . . 78 MET C . 26600 1 282 . 1 1 78 78 MET CA C 13 54.361 0.3 . 1 . . . . 78 MET CA . 26600 1 283 . 1 1 78 78 MET CB C 13 33.866 0.3 . 1 . . . . 78 MET CB . 26600 1 284 . 1 1 78 78 MET N N 15 124.394 0.3 . 1 . . . . 78 MET N . 26600 1 285 . 1 1 79 79 SER H H 1 7.575 0.020 . 1 . . . . 79 SER H . 26600 1 286 . 1 1 79 79 SER C C 13 170.923 0.3 . 1 . . . . 79 SER C . 26600 1 287 . 1 1 79 79 SER CA C 13 56.542 0.3 . 1 . . . . 79 SER CA . 26600 1 288 . 1 1 79 79 SER CB C 13 65.318 0.3 . 1 . . . . 79 SER CB . 26600 1 289 . 1 1 79 79 SER N N 15 117.001 0.3 . 1 . . . . 79 SER N . 26600 1 290 . 1 1 80 80 ALA H H 1 8.267 0.020 . 1 . . . . 80 ALA H . 26600 1 291 . 1 1 80 80 ALA C C 13 177.236 0.3 . 1 . . . . 80 ALA C . 26600 1 292 . 1 1 80 80 ALA CA C 13 51.343 0.3 . 1 . . . . 80 ALA CA . 26600 1 293 . 1 1 80 80 ALA CB C 13 16.731 0.3 . 1 . . . . 80 ALA CB . 26600 1 294 . 1 1 80 80 ALA N N 15 122.032 0.3 . 1 . . . . 80 ALA N . 26600 1 295 . 1 1 81 81 LEU H H 1 7.876 0.020 . 1 . . . . 81 LEU H . 26600 1 296 . 1 1 81 81 LEU C C 13 177.824 0.3 . 1 . . . . 81 LEU C . 26600 1 297 . 1 1 81 81 LEU CA C 13 56.068 0.3 . 1 . . . . 81 LEU CA . 26600 1 298 . 1 1 81 81 LEU CB C 13 42.425 0.3 . 1 . . . . 81 LEU CB . 26600 1 299 . 1 1 81 81 LEU N N 15 115.148 0.3 . 1 . . . . 81 LEU N . 26600 1 300 . 1 1 82 82 GLU H H 1 9.232 0.020 . 1 . . . . 82 GLU H . 26600 1 301 . 1 1 82 82 GLU C C 13 177.589 0.3 . 1 . . . . 82 GLU C . 26600 1 302 . 1 1 82 82 GLU CA C 13 53.135 0.3 . 1 . . . . 82 GLU CA . 26600 1 303 . 1 1 82 82 GLU CB C 13 31.163 0.3 . 1 . . . . 82 GLU CB . 26600 1 304 . 1 1 82 82 GLU N N 15 122.669 0.3 . 1 . . . . 82 GLU N . 26600 1 305 . 1 1 83 83 LEU H H 1 9.046 0.020 . 1 . . . . 83 LEU H . 26600 1 306 . 1 1 83 83 LEU C C 13 180.846 0.3 . 1 . . . . 83 LEU C . 26600 1 307 . 1 1 83 83 LEU CA C 13 58.739 0.3 . 1 . . . . 83 LEU CA . 26600 1 308 . 1 1 83 83 LEU CB C 13 38.835 0.3 . 1 . . . . 83 LEU CB . 26600 1 309 . 1 1 83 83 LEU N N 15 123.056 0.3 . 1 . . . . 83 LEU N . 26600 1 310 . 1 1 84 84 GLU H H 1 8.788 0.020 . 1 . . . . 84 GLU H . 26600 1 311 . 1 1 84 84 GLU C C 13 175.977 0.3 . 1 . . . . 84 GLU C . 26600 1 312 . 1 1 84 84 GLU CA C 13 57.636 0.3 . 1 . . . . 84 GLU CA . 26600 1 313 . 1 1 84 84 GLU CB C 13 27.413 0.3 . 1 . . . . 84 GLU CB . 26600 1 314 . 1 1 84 84 GLU N N 15 115.829 0.3 . 1 . . . . 84 GLU N . 26600 1 315 . 1 1 85 85 ASP H H 1 7.922 0.020 . 1 . . . . 85 ASP H . 26600 1 316 . 1 1 85 85 ASP C C 13 177.371 0.3 . 1 . . . . 85 ASP C . 26600 1 317 . 1 1 85 85 ASP CA C 13 54.899 0.3 . 1 . . . . 85 ASP CA . 26600 1 318 . 1 1 85 85 ASP CB C 13 40.365 0.3 . 1 . . . . 85 ASP CB . 26600 1 319 . 1 1 85 85 ASP N N 15 119.564 0.3 . 1 . . . . 85 ASP N . 26600 1 320 . 1 1 86 86 SER H H 1 7.677 0.020 . 1 . . . . 86 SER H . 26600 1 321 . 1 1 86 86 SER C C 13 173.609 0.3 . 1 . . . . 86 SER C . 26600 1 322 . 1 1 86 86 SER CA C 13 59.928 0.3 . 1 . . . . 86 SER CA . 26600 1 323 . 1 1 86 86 SER CB C 13 62.725 0.3 . 1 . . . . 86 SER CB . 26600 1 324 . 1 1 86 86 SER N N 15 117.305 0.3 . 1 . . . . 86 SER N . 26600 1 325 . 1 1 87 87 ALA H H 1 8.755 0.020 . 1 . . . . 87 ALA H . 26600 1 326 . 1 1 87 87 ALA C C 13 175.054 0.3 . 1 . . . . 87 ALA C . 26600 1 327 . 1 1 87 87 ALA CA C 13 51.398 0.3 . 1 . . . . 87 ALA CA . 26600 1 328 . 1 1 87 87 ALA CB C 13 19.254 0.3 . 1 . . . . 87 ALA CB . 26600 1 329 . 1 1 87 87 ALA N N 15 128.341 0.3 . 1 . . . . 87 ALA N . 26600 1 330 . 1 1 88 88 MET H H 1 7.645 0.020 . 1 . . . . 88 MET H . 26600 1 331 . 1 1 88 88 MET C C 13 175.272 0.3 . 1 . . . . 88 MET C . 26600 1 332 . 1 1 88 88 MET CA C 13 52.929 0.3 . 1 . . . . 88 MET CA . 26600 1 333 . 1 1 88 88 MET CB C 13 32.655 0.3 . 1 . . . . 88 MET CB . 26600 1 334 . 1 1 88 88 MET N N 15 115.865 0.3 . 1 . . . . 88 MET N . 26600 1 335 . 1 1 89 89 TYR H H 1 8.951 0.020 . 1 . . . . 89 TYR H . 26600 1 336 . 1 1 89 89 TYR C C 13 176.514 0.3 . 1 . . . . 89 TYR C . 26600 1 337 . 1 1 89 89 TYR CA C 13 56.888 0.3 . 1 . . . . 89 TYR CA . 26600 1 338 . 1 1 89 89 TYR CB C 13 39.652 0.3 . 1 . . . . 89 TYR CB . 26600 1 339 . 1 1 89 89 TYR N N 15 122.023 0.3 . 1 . . . . 89 TYR N . 26600 1 340 . 1 1 90 90 PHE H H 1 9.326 0.020 . 1 . . . . 90 PHE H . 26600 1 341 . 1 1 90 90 PHE C C 13 173.241 0.3 . 1 . . . . 90 PHE C . 26600 1 342 . 1 1 90 90 PHE CA C 13 57.403 0.3 . 1 . . . . 90 PHE CA . 26600 1 343 . 1 1 90 90 PHE CB C 13 42.990 0.3 . 1 . . . . 90 PHE CB . 26600 1 344 . 1 1 90 90 PHE N N 15 123.270 0.3 . 1 . . . . 90 PHE N . 26600 1 345 . 1 1 93 93 SER H H 1 9.062 0.020 . 1 . . . . 93 SER H . 26600 1 346 . 1 1 93 93 SER C C 13 172.905 0.3 . 1 . . . . 93 SER C . 26600 1 347 . 1 1 93 93 SER CA C 13 56.060 0.3 . 1 . . . . 93 SER CA . 26600 1 348 . 1 1 93 93 SER CB C 13 68.433 0.3 . 1 . . . . 93 SER CB . 26600 1 349 . 1 1 93 93 SER N N 15 116.333 0.3 . 1 . . . . 93 SER N . 26600 1 350 . 1 1 94 94 SER H H 1 8.807 0.020 . 1 . . . . 94 SER H . 26600 1 351 . 1 1 94 94 SER C C 13 173.308 0.3 . 1 . . . . 94 SER C . 26600 1 352 . 1 1 94 94 SER CA C 13 56.670 0.3 . 1 . . . . 94 SER CA . 26600 1 353 . 1 1 94 94 SER CB C 13 67.676 0.3 . 1 . . . . 94 SER CB . 26600 1 354 . 1 1 94 94 SER N N 15 113.989 0.3 . 1 . . . . 94 SER N . 26600 1 355 . 1 1 95 95 LEU H H 1 8.510 0.020 . 1 . . . . 95 LEU H . 26600 1 356 . 1 1 95 95 LEU C C 13 177.236 0.3 . 1 . . . . 95 LEU C . 26600 1 357 . 1 1 95 95 LEU CA C 13 58.894 0.3 . 1 . . . . 95 LEU CA . 26600 1 358 . 1 1 95 95 LEU CB C 13 40.407 0.3 . 1 . . . . 95 LEU CB . 26600 1 359 . 1 1 95 95 LEU N N 15 122.233 0.3 . 1 . . . . 95 LEU N . 26600 1 360 . 1 1 96 96 ARG H H 1 7.747 0.020 . 1 . . . . 96 ARG H . 26600 1 361 . 1 1 96 96 ARG C C 13 173.812 0.3 . 1 . . . . 96 ARG C . 26600 1 362 . 1 1 96 96 ARG CA C 13 52.703 0.3 . 1 . . . . 96 ARG CA . 26600 1 363 . 1 1 96 96 ARG CB C 13 31.366 0.3 . 1 . . . . 96 ARG CB . 26600 1 364 . 1 1 96 96 ARG N N 15 113.340 0.3 . 1 . . . . 96 ARG N . 26600 1 365 . 1 1 99 99 ASP H H 1 6.981 0.020 . 1 . . . . 99 ASP H . 26600 1 366 . 1 1 99 99 ASP C C 13 174.601 0.3 . 1 . . . . 99 ASP C . 26600 1 367 . 1 1 99 99 ASP CA C 13 53.100 0.3 . 1 . . . . 99 ASP CA . 26600 1 368 . 1 1 99 99 ASP CB C 13 42.416 0.3 . 1 . . . . 99 ASP CB . 26600 1 369 . 1 1 99 99 ASP N N 15 120.263 0.3 . 1 . . . . 99 ASP N . 26600 1 370 . 1 1 100 100 GLU H H 1 8.431 0.020 . 1 . . . . 100 GLU H . 26600 1 371 . 1 1 100 100 GLU C C 13 175.104 0.3 . 1 . . . . 100 GLU C . 26600 1 372 . 1 1 100 100 GLU CA C 13 56.615 0.3 . 1 . . . . 100 GLU CA . 26600 1 373 . 1 1 100 100 GLU CB C 13 28.595 0.3 . 1 . . . . 100 GLU CB . 26600 1 374 . 1 1 100 100 GLU N N 15 120.340 0.3 . 1 . . . . 100 GLU N . 26600 1 375 . 1 1 101 101 GLN H H 1 8.029 0.020 . 1 . . . . 101 GLN H . 26600 1 376 . 1 1 101 101 GLN C C 13 175.541 0.3 . 1 . . . . 101 GLN C . 26600 1 377 . 1 1 101 101 GLN CA C 13 54.509 0.3 . 1 . . . . 101 GLN CA . 26600 1 378 . 1 1 101 101 GLN CB C 13 30.116 0.3 . 1 . . . . 101 GLN CB . 26600 1 379 . 1 1 101 101 GLN N N 15 121.303 0.3 . 1 . . . . 101 GLN N . 26600 1 380 . 1 1 102 102 TYR H H 1 9.229 0.020 . 1 . . . . 102 TYR H . 26600 1 381 . 1 1 102 102 TYR C C 13 174.802 0.3 . 1 . . . . 102 TYR C . 26600 1 382 . 1 1 102 102 TYR CA C 13 56.523 0.3 . 1 . . . . 102 TYR CA . 26600 1 383 . 1 1 102 102 TYR CB C 13 38.961 0.3 . 1 . . . . 102 TYR CB . 26600 1 384 . 1 1 102 102 TYR N N 15 123.774 0.3 . 1 . . . . 102 TYR N . 26600 1 385 . 1 1 103 103 PHE H H 1 9.007 0.020 . 1 . . . . 103 PHE H . 26600 1 386 . 1 1 103 103 PHE C C 13 178.747 0.3 . 1 . . . . 103 PHE C . 26600 1 387 . 1 1 103 103 PHE CA C 13 58.547 0.3 . 1 . . . . 103 PHE CA . 26600 1 388 . 1 1 103 103 PHE CB C 13 40.407 0.3 . 1 . . . . 103 PHE CB . 26600 1 389 . 1 1 103 103 PHE N N 15 121.738 0.3 . 1 . . . . 103 PHE N . 26600 1 390 . 1 1 104 104 GLY H H 1 9.291 0.020 . 1 . . . . 104 GLY H . 26600 1 391 . 1 1 104 104 GLY C C 13 171.965 0.3 . 1 . . . . 104 GLY C . 26600 1 392 . 1 1 104 104 GLY CA C 13 43.812 0.3 . 1 . . . . 104 GLY CA . 26600 1 393 . 1 1 104 104 GLY N N 15 109.743 0.3 . 1 . . . . 104 GLY N . 26600 1 394 . 1 1 106 106 GLY H H 1 7.022 0.020 . 1 . . . . 106 GLY H . 26600 1 395 . 1 1 106 106 GLY C C 13 171.999 0.3 . 1 . . . . 106 GLY C . 26600 1 396 . 1 1 106 106 GLY CA C 13 44.069 0.3 . 1 . . . . 106 GLY CA . 26600 1 397 . 1 1 106 106 GLY N N 15 107.195 0.3 . 1 . . . . 106 GLY N . 26600 1 398 . 1 1 107 107 THR H H 1 8.020 0.020 . 1 . . . . 107 THR H . 26600 1 399 . 1 1 107 107 THR C C 13 172.993 0.3 . 1 . . . . 107 THR C . 26600 1 400 . 1 1 107 107 THR CA C 13 61.452 0.3 . 1 . . . . 107 THR CA . 26600 1 401 . 1 1 107 107 THR CB C 13 71.775 0.3 . 1 . . . . 107 THR CB . 26600 1 402 . 1 1 107 107 THR N N 15 118.705 0.3 . 1 . . . . 107 THR N . 26600 1 403 . 1 1 108 108 ARG H H 1 8.074 0.020 . 1 . . . . 108 ARG H . 26600 1 404 . 1 1 108 108 ARG C C 13 172.748 0.3 . 1 . . . . 108 ARG C . 26600 1 405 . 1 1 108 108 ARG CA C 13 55.449 0.3 . 1 . . . . 108 ARG CA . 26600 1 406 . 1 1 108 108 ARG CB C 13 29.696 0.3 . 1 . . . . 108 ARG CB . 26600 1 407 . 1 1 108 108 ARG N N 15 129.222 0.3 . 1 . . . . 108 ARG N . 26600 1 408 . 1 1 109 109 LEU H H 1 8.589 0.020 . 1 . . . . 109 LEU H . 26600 1 409 . 1 1 109 109 LEU C C 13 176.176 0.3 . 1 . . . . 109 LEU C . 26600 1 410 . 1 1 109 109 LEU CA C 13 52.782 0.3 . 1 . . . . 109 LEU CA . 26600 1 411 . 1 1 109 109 LEU CB C 13 44.133 0.3 . 1 . . . . 109 LEU CB . 26600 1 412 . 1 1 109 109 LEU N N 15 130.676 0.3 . 1 . . . . 109 LEU N . 26600 1 413 . 1 1 110 110 THR H H 1 8.929 0.020 . 1 . . . . 110 THR H . 26600 1 414 . 1 1 110 110 THR C C 13 171.381 0.3 . 1 . . . . 110 THR C . 26600 1 415 . 1 1 110 110 THR CA C 13 62.750 0.3 . 1 . . . . 110 THR CA . 26600 1 416 . 1 1 110 110 THR CB C 13 68.437 0.3 . 1 . . . . 110 THR CB . 26600 1 417 . 1 1 110 110 THR N N 15 126.207 0.3 . 1 . . . . 110 THR N . 26600 1 418 . 1 1 111 111 VAL H H 1 8.563 0.020 . 1 . . . . 111 VAL H . 26600 1 419 . 1 1 111 111 VAL C C 13 174.164 0.3 . 1 . . . . 111 VAL C . 26600 1 420 . 1 1 111 111 VAL CA C 13 59.562 0.3 . 1 . . . . 111 VAL CA . 26600 1 421 . 1 1 111 111 VAL CB C 13 31.664 0.3 . 1 . . . . 111 VAL CB . 26600 1 422 . 1 1 111 111 VAL N N 15 128.488 0.3 . 1 . . . . 111 VAL N . 26600 1 423 . 1 1 112 112 LEU H H 1 8.572 0.020 . 1 . . . . 112 LEU H . 26600 1 424 . 1 1 112 112 LEU C C 13 176.850 0.3 . 1 . . . . 112 LEU C . 26600 1 425 . 1 1 112 112 LEU CA C 13 51.781 0.3 . 1 . . . . 112 LEU CA . 26600 1 426 . 1 1 112 112 LEU CB C 13 44.565 0.3 . 1 . . . . 112 LEU CB . 26600 1 427 . 1 1 112 112 LEU N N 15 123.964 0.3 . 1 . . . . 112 LEU N . 26600 1 428 . 1 1 113 113 GLU H H 1 8.959 0.020 . 1 . . . . 113 GLU H . 26600 1 429 . 1 1 113 113 GLU C C 13 176.179 0.3 . 1 . . . . 113 GLU C . 26600 1 430 . 1 1 113 113 GLU CA C 13 58.833 0.3 . 1 . . . . 113 GLU CA . 26600 1 431 . 1 1 113 113 GLU CB C 13 29.148 0.3 . 1 . . . . 113 GLU CB . 26600 1 432 . 1 1 113 113 GLU N N 15 120.201 0.3 . 1 . . . . 113 GLU N . 26600 1 433 . 1 1 114 114 ASP H H 1 7.626 0.020 . 1 . . . . 114 ASP H . 26600 1 434 . 1 1 114 114 ASP C C 13 176.211 0.3 . 1 . . . . 114 ASP C . 26600 1 435 . 1 1 114 114 ASP CA C 13 52.415 0.3 . 1 . . . . 114 ASP CA . 26600 1 436 . 1 1 114 114 ASP CB C 13 41.991 0.3 . 1 . . . . 114 ASP CB . 26600 1 437 . 1 1 114 114 ASP N N 15 114.621 0.3 . 1 . . . . 114 ASP N . 26600 1 438 . 1 1 115 115 LEU H H 1 9.219 0.020 . 1 . . . . 115 LEU H . 26600 1 439 . 1 1 115 115 LEU C C 13 177.841 0.3 . 1 . . . . 115 LEU C . 26600 1 440 . 1 1 115 115 LEU CA C 13 55.703 0.3 . 1 . . . . 115 LEU CA . 26600 1 441 . 1 1 115 115 LEU CB C 13 40.386 0.3 . 1 . . . . 115 LEU CB . 26600 1 442 . 1 1 115 115 LEU N N 15 123.992 0.3 . 1 . . . . 115 LEU N . 26600 1 443 . 1 1 116 116 ARG H H 1 8.341 0.020 . 1 . . . . 116 ARG H . 26600 1 444 . 1 1 116 116 ARG C C 13 177.035 0.3 . 1 . . . . 116 ARG C . 26600 1 445 . 1 1 116 116 ARG CA C 13 57.726 0.3 . 1 . . . . 116 ARG CA . 26600 1 446 . 1 1 116 116 ARG CB C 13 28.187 0.3 . 1 . . . . 116 ARG CB . 26600 1 447 . 1 1 116 116 ARG N N 15 115.504 0.3 . 1 . . . . 116 ARG N . 26600 1 448 . 1 1 117 117 ASN H H 1 7.530 0.020 . 1 . . . . 117 ASN H . 26600 1 449 . 1 1 117 117 ASN C C 13 175.524 0.3 . 1 . . . . 117 ASN C . 26600 1 450 . 1 1 117 117 ASN CA C 13 53.598 0.3 . 1 . . . . 117 ASN CA . 26600 1 451 . 1 1 117 117 ASN CB C 13 38.852 0.3 . 1 . . . . 117 ASN CB . 26600 1 452 . 1 1 117 117 ASN N N 15 112.936 0.3 . 1 . . . . 117 ASN N . 26600 1 453 . 1 1 118 118 VAL H H 1 7.919 0.020 . 1 . . . . 118 VAL H . 26600 1 454 . 1 1 118 118 VAL C C 13 175.306 0.3 . 1 . . . . 118 VAL C . 26600 1 455 . 1 1 118 118 VAL CA C 13 64.215 0.3 . 1 . . . . 118 VAL CA . 26600 1 456 . 1 1 118 118 VAL CB C 13 29.794 0.3 . 1 . . . . 118 VAL CB . 26600 1 457 . 1 1 118 118 VAL N N 15 123.603 0.3 . 1 . . . . 118 VAL N . 26600 1 458 . 1 1 119 119 THR H H 1 9.472 0.020 . 1 . . . . 119 THR H . 26600 1 459 . 1 1 119 119 THR C C 13 169.984 0.3 . 1 . . . . 119 THR C . 26600 1 460 . 1 1 119 119 THR CA C 13 58.830 0.3 . 1 . . . . 119 THR CA . 26600 1 461 . 1 1 119 119 THR CB C 13 72.410 0.3 . 1 . . . . 119 THR CB . 26600 1 462 . 1 1 119 119 THR N N 15 123.829 0.3 . 1 . . . . 119 THR N . 26600 1 463 . 1 1 122 122 LYS H H 1 8.530 0.020 . 1 . . . . 122 LYS H . 26600 1 464 . 1 1 122 122 LYS C C 13 176.649 0.3 . 1 . . . . 122 LYS C . 26600 1 465 . 1 1 122 122 LYS CA C 13 55.221 0.3 . 1 . . . . 122 LYS CA . 26600 1 466 . 1 1 122 122 LYS CB C 13 31.681 0.3 . 1 . . . . 122 LYS CB . 26600 1 467 . 1 1 122 122 LYS N N 15 119.152 0.3 . 1 . . . . 122 LYS N . 26600 1 468 . 1 1 123 123 VAL H H 1 8.629 0.020 . 1 . . . . 123 VAL H . 26600 1 469 . 1 1 123 123 VAL C C 13 174.517 0.3 . 1 . . . . 123 VAL C . 26600 1 470 . 1 1 123 123 VAL CA C 13 60.899 0.3 . 1 . . . . 123 VAL CA . 26600 1 471 . 1 1 123 123 VAL CB C 13 33.178 0.3 . 1 . . . . 123 VAL CB . 26600 1 472 . 1 1 123 123 VAL N N 15 126.192 0.3 . 1 . . . . 123 VAL N . 26600 1 473 . 1 1 124 124 SER H H 1 8.839 0.020 . 1 . . . . 124 SER H . 26600 1 474 . 1 1 124 124 SER C C 13 169.917 0.3 . 1 . . . . 124 SER C . 26600 1 475 . 1 1 124 124 SER CA C 13 56.426 0.3 . 1 . . . . 124 SER CA . 26600 1 476 . 1 1 124 124 SER CB C 13 65.550 0.3 . 1 . . . . 124 SER CB . 26600 1 477 . 1 1 124 124 SER N N 15 122.383 0.3 . 1 . . . . 124 SER N . 26600 1 478 . 1 1 125 125 LEU H H 1 8.239 0.020 . 1 . . . . 125 LEU H . 26600 1 479 . 1 1 125 125 LEU C C 13 175.289 0.3 . 1 . . . . 125 LEU C . 26600 1 480 . 1 1 125 125 LEU CA C 13 52.597 0.3 . 1 . . . . 125 LEU CA . 26600 1 481 . 1 1 125 125 LEU CB C 13 44.251 0.3 . 1 . . . . 125 LEU CB . 26600 1 482 . 1 1 125 125 LEU N N 15 124.013 0.3 . 1 . . . . 125 LEU N . 26600 1 483 . 1 1 126 126 PHE H H 1 9.491 0.020 . 1 . . . . 126 PHE H . 26600 1 484 . 1 1 126 126 PHE C C 13 174.886 0.3 . 1 . . . . 126 PHE C . 26600 1 485 . 1 1 126 126 PHE CA C 13 55.857 0.3 . 1 . . . . 126 PHE CA . 26600 1 486 . 1 1 126 126 PHE CB C 13 38.984 0.3 . 1 . . . . 126 PHE CB . 26600 1 487 . 1 1 126 126 PHE N N 15 125.934 0.3 . 1 . . . . 126 PHE N . 26600 1 488 . 1 1 127 127 GLU H H 1 8.418 0.020 . 1 . . . . 127 GLU H . 26600 1 489 . 1 1 127 127 GLU C C 13 176.162 0.3 . 1 . . . . 127 GLU C . 26600 1 490 . 1 1 127 127 GLU CA C 13 54.132 0.3 . 1 . . . . 127 GLU CA . 26600 1 491 . 1 1 127 127 GLU CB C 13 27.522 0.3 . 1 . . . . 127 GLU CB . 26600 1 492 . 1 1 127 127 GLU N N 15 121.463 0.3 . 1 . . . . 127 GLU N . 26600 1 493 . 1 1 129 129 SER H H 1 8.665 0.020 . 1 . . . . 129 SER H . 26600 1 494 . 1 1 129 129 SER C C 13 175.423 0.3 . 1 . . . . 129 SER C . 26600 1 495 . 1 1 129 129 SER CA C 13 56.691 0.3 . 1 . . . . 129 SER CA . 26600 1 496 . 1 1 129 129 SER CB C 13 63.701 0.3 . 1 . . . . 129 SER CB . 26600 1 497 . 1 1 129 129 SER N N 15 118.367 0.3 . 1 . . . . 129 SER N . 26600 1 498 . 1 1 130 130 LYS H H 1 8.711 0.020 . 1 . . . . 130 LYS H . 26600 1 499 . 1 1 130 130 LYS C C 13 178.982 0.3 . 1 . . . . 130 LYS C . 26600 1 500 . 1 1 130 130 LYS CA C 13 58.936 0.3 . 1 . . . . 130 LYS CA . 26600 1 501 . 1 1 130 130 LYS CB C 13 31.107 0.3 . 1 . . . . 130 LYS CB . 26600 1 502 . 1 1 130 130 LYS N N 15 125.253 0.3 . 1 . . . . 130 LYS N . 26600 1 503 . 1 1 131 131 ALA H H 1 8.158 0.020 . 1 . . . . 131 ALA H . 26600 1 504 . 1 1 131 131 ALA C C 13 179.503 0.3 . 1 . . . . 131 ALA C . 26600 1 505 . 1 1 131 131 ALA CA C 13 53.974 0.3 . 1 . . . . 131 ALA CA . 26600 1 506 . 1 1 131 131 ALA CB C 13 17.309 0.3 . 1 . . . . 131 ALA CB . 26600 1 507 . 1 1 131 131 ALA N N 15 121.035 0.3 . 1 . . . . 131 ALA N . 26600 1 508 . 1 1 132 132 GLU H H 1 7.418 0.020 . 1 . . . . 132 GLU H . 26600 1 509 . 1 1 132 132 GLU C C 13 179.217 0.3 . 1 . . . . 132 GLU C . 26600 1 510 . 1 1 132 132 GLU CA C 13 58.335 0.3 . 1 . . . . 132 GLU CA . 26600 1 511 . 1 1 132 132 GLU CB C 13 28.667 0.3 . 1 . . . . 132 GLU CB . 26600 1 512 . 1 1 132 132 GLU N N 15 119.564 0.3 . 1 . . . . 132 GLU N . 26600 1 513 . 1 1 133 133 ILE H H 1 7.574 0.020 . 1 . . . . 133 ILE H . 26600 1 514 . 1 1 133 133 ILE C C 13 178.765 0.3 . 1 . . . . 133 ILE C . 26600 1 515 . 1 1 133 133 ILE CA C 13 63.395 0.3 . 1 . . . . 133 ILE CA . 26600 1 516 . 1 1 133 133 ILE CB C 13 28.828 0.3 . 1 . . . . 133 ILE CB . 26600 1 517 . 1 1 133 133 ILE N N 15 119.698 0.3 . 1 . . . . 133 ILE N . 26600 1 518 . 1 1 134 134 ALA H H 1 7.937 0.020 . 1 . . . . 134 ALA H . 26600 1 519 . 1 1 134 134 ALA C C 13 178.765 0.3 . 1 . . . . 134 ALA C . 26600 1 520 . 1 1 134 134 ALA CA C 13 53.907 0.3 . 1 . . . . 134 ALA CA . 26600 1 521 . 1 1 134 134 ALA CB C 13 17.432 0.3 . 1 . . . . 134 ALA CB . 26600 1 522 . 1 1 134 134 ALA N N 15 122.127 0.3 . 1 . . . . 134 ALA N . 26600 1 523 . 1 1 135 135 ASN H H 1 7.835 0.020 . 1 . . . . 135 ASN H . 26600 1 524 . 1 1 135 135 ASN C C 13 176.083 0.3 . 1 . . . . 135 ASN C . 26600 1 525 . 1 1 135 135 ASN CA C 13 54.047 0.3 . 1 . . . . 135 ASN CA . 26600 1 526 . 1 1 135 135 ASN CB C 13 38.320 0.3 . 1 . . . . 135 ASN CB . 26600 1 527 . 1 1 135 135 ASN N N 15 113.395 0.3 . 1 . . . . 135 ASN N . 26600 1 528 . 1 1 136 136 LYS H H 1 8.174 0.020 . 1 . . . . 136 LYS H . 26600 1 529 . 1 1 136 136 LYS C C 13 172.433 0.3 . 1 . . . . 136 LYS C . 26600 1 530 . 1 1 136 136 LYS CA C 13 55.361 0.3 . 1 . . . . 136 LYS CA . 26600 1 531 . 1 1 136 136 LYS CB C 13 38.614 0.3 . 1 . . . . 136 LYS CB . 26600 1 532 . 1 1 136 136 LYS N N 15 115.538 0.3 . 1 . . . . 136 LYS N . 26600 1 533 . 1 1 139 139 ALA H H 1 8.572 0.020 . 1 . . . . 139 ALA H . 26600 1 534 . 1 1 139 139 ALA C C 13 174.775 0.3 . 1 . . . . 139 ALA C . 26600 1 535 . 1 1 139 139 ALA CA C 13 49.717 0.3 . 1 . . . . 139 ALA CA . 26600 1 536 . 1 1 139 139 ALA CB C 13 20.717 0.3 . 1 . . . . 139 ALA CB . 26600 1 537 . 1 1 139 139 ALA N N 15 122.282 0.3 . 1 . . . . 139 ALA N . 26600 1 538 . 1 1 140 140 THR H H 1 8.826 0.020 . 1 . . . . 140 THR H . 26600 1 539 . 1 1 140 140 THR C C 13 174.196 0.3 . 1 . . . . 140 THR C . 26600 1 540 . 1 1 140 140 THR CA C 13 61.241 0.3 . 1 . . . . 140 THR CA . 26600 1 541 . 1 1 140 140 THR CB C 13 67.445 0.3 . 1 . . . . 140 THR CB . 26600 1 542 . 1 1 140 140 THR N N 15 120.266 0.3 . 1 . . . . 140 THR N . 26600 1 543 . 1 1 141 141 LEU H H 1 8.819 0.020 . 1 . . . . 141 LEU H . 26600 1 544 . 1 1 141 141 LEU C C 13 175.371 0.3 . 1 . . . . 141 LEU C . 26600 1 545 . 1 1 141 141 LEU CA C 13 54.576 0.3 . 1 . . . . 141 LEU CA . 26600 1 546 . 1 1 141 141 LEU CB C 13 42.471 0.3 . 1 . . . . 141 LEU CB . 26600 1 547 . 1 1 141 141 LEU N N 15 129.925 0.3 . 1 . . . . 141 LEU N . 26600 1 548 . 1 1 142 142 VAL H H 1 7.793 0.020 . 1 . . . . 142 VAL H . 26600 1 549 . 1 1 142 142 VAL C C 13 174.021 0.3 . 1 . . . . 142 VAL C . 26600 1 550 . 1 1 142 142 VAL CA C 13 60.460 0.3 . 1 . . . . 142 VAL CA . 26600 1 551 . 1 1 142 142 VAL CB C 13 33.659 0.3 . 1 . . . . 142 VAL CB . 26600 1 552 . 1 1 142 142 VAL N N 15 120.113 0.3 . 1 . . . . 142 VAL N . 26600 1 553 . 1 1 143 143 CYS H H 1 9.692 0.020 . 1 . . . . 143 CYS H . 26600 1 554 . 1 1 143 143 CYS C C 13 171.460 0.3 . 1 . . . . 143 CYS C . 26600 1 555 . 1 1 143 143 CYS CA C 13 52.372 0.3 . 1 . . . . 143 CYS CA . 26600 1 556 . 1 1 143 143 CYS CB C 13 42.693 0.3 . 1 . . . . 143 CYS CB . 26600 1 557 . 1 1 143 143 CYS N N 15 127.507 0.3 . 1 . . . . 143 CYS N . 26600 1 558 . 1 1 144 144 LEU H H 1 8.929 0.020 . 1 . . . . 144 LEU H . 26600 1 559 . 1 1 144 144 LEU C C 13 173.795 0.3 . 1 . . . . 144 LEU C . 26600 1 560 . 1 1 144 144 LEU CA C 13 52.926 0.3 . 1 . . . . 144 LEU CA . 26600 1 561 . 1 1 144 144 LEU CB C 13 44.844 0.3 . 1 . . . . 144 LEU CB . 26600 1 562 . 1 1 144 144 LEU N N 15 127.952 0.3 . 1 . . . . 144 LEU N . 26600 1 563 . 1 1 145 145 ALA H H 1 9.210 0.020 . 1 . . . . 145 ALA H . 26600 1 564 . 1 1 145 145 ALA C C 13 175.438 0.3 . 1 . . . . 145 ALA C . 26600 1 565 . 1 1 145 145 ALA CA C 13 48.579 0.3 . 1 . . . . 145 ALA CA . 26600 1 566 . 1 1 145 145 ALA CB C 13 19.851 0.3 . 1 . . . . 145 ALA CB . 26600 1 567 . 1 1 145 145 ALA N N 15 129.594 0.3 . 1 . . . . 145 ALA N . 26600 1 568 . 1 1 146 146 ARG H H 1 9.125 0.020 . 1 . . . . 146 ARG H . 26600 1 569 . 1 1 146 146 ARG C C 13 176.048 0.3 . 1 . . . . 146 ARG C . 26600 1 570 . 1 1 146 146 ARG CA C 13 54.781 0.3 . 1 . . . . 146 ARG CA . 26600 1 571 . 1 1 146 146 ARG CB C 13 32.383 0.3 . 1 . . . . 146 ARG CB . 26600 1 572 . 1 1 146 146 ARG N N 15 119.736 0.3 . 1 . . . . 146 ARG N . 26600 1 573 . 1 1 147 147 GLY H H 1 8.023 0.020 . 1 . . . . 147 GLY H . 26600 1 574 . 1 1 147 147 GLY C C 13 174.030 0.3 . 1 . . . . 147 GLY C . 26600 1 575 . 1 1 147 147 GLY CA C 13 45.790 0.3 . 1 . . . . 147 GLY CA . 26600 1 576 . 1 1 147 147 GLY N N 15 110.038 0.3 . 1 . . . . 147 GLY N . 26600 1 577 . 1 1 148 148 PHE H H 1 7.272 0.020 . 1 . . . . 148 PHE H . 26600 1 578 . 1 1 148 148 PHE C C 13 174.129 0.3 . 1 . . . . 148 PHE C . 26600 1 579 . 1 1 148 148 PHE CA C 13 53.038 0.3 . 1 . . . . 148 PHE CA . 26600 1 580 . 1 1 148 148 PHE CB C 13 40.839 0.3 . 1 . . . . 148 PHE CB . 26600 1 581 . 1 1 148 148 PHE N N 15 112.436 0.3 . 1 . . . . 148 PHE N . 26600 1 582 . 1 1 149 149 PHE H H 1 9.261 0.020 . 1 . . . . 149 PHE H . 26600 1 583 . 1 1 149 149 PHE C C 13 174.427 0.3 . 1 . . . . 149 PHE C . 26600 1 584 . 1 1 149 149 PHE CA C 13 57.856 0.3 . 1 . . . . 149 PHE CA . 26600 1 585 . 1 1 149 149 PHE CB C 13 41.877 0.3 . 1 . . . . 149 PHE CB . 26600 1 586 . 1 1 149 149 PHE N N 15 120.517 0.3 . 1 . . . . 149 PHE N . 26600 1 587 . 1 1 151 151 ASP H H 1 8.316 0.020 . 1 . . . . 151 ASP H . 26600 1 588 . 1 1 151 151 ASP C C 13 175.490 0.3 . 1 . . . . 151 ASP C . 26600 1 589 . 1 1 151 151 ASP CA C 13 53.376 0.3 . 1 . . . . 151 ASP CA . 26600 1 590 . 1 1 151 151 ASP CB C 13 36.333 0.3 . 1 . . . . 151 ASP CB . 26600 1 591 . 1 1 151 151 ASP N N 15 114.727 0.3 . 1 . . . . 151 ASP N . 26600 1 592 . 1 1 152 152 HIS H H 1 7.841 0.020 . 1 . . . . 152 HIS H . 26600 1 593 . 1 1 152 152 HIS C C 13 173.476 0.3 . 1 . . . . 152 HIS C . 26600 1 594 . 1 1 152 152 HIS CA C 13 53.324 0.3 . 1 . . . . 152 HIS CA . 26600 1 595 . 1 1 152 152 HIS CB C 13 27.450 0.3 . 1 . . . . 152 HIS CB . 26600 1 596 . 1 1 152 152 HIS N N 15 124.213 0.3 . 1 . . . . 152 HIS N . 26600 1 597 . 1 1 153 153 VAL H H 1 7.236 0.020 . 1 . . . . 153 VAL H . 26600 1 598 . 1 1 153 153 VAL C C 13 175.440 0.3 . 1 . . . . 153 VAL C . 26600 1 599 . 1 1 153 153 VAL CA C 13 57.753 0.3 . 1 . . . . 153 VAL CA . 26600 1 600 . 1 1 153 153 VAL CB C 13 34.756 0.3 . 1 . . . . 153 VAL CB . 26600 1 601 . 1 1 153 153 VAL N N 15 113.560 0.3 . 1 . . . . 153 VAL N . 26600 1 602 . 1 1 154 154 GLU H H 1 8.247 0.020 . 1 . . . . 154 GLU H . 26600 1 603 . 1 1 154 154 GLU C C 13 174.231 0.3 . 1 . . . . 154 GLU C . 26600 1 604 . 1 1 154 154 GLU CA C 13 54.648 0.3 . 1 . . . . 154 GLU CA . 26600 1 605 . 1 1 154 154 GLU CB C 13 32.383 0.3 . 1 . . . . 154 GLU CB . 26600 1 606 . 1 1 154 154 GLU N N 15 120.960 0.3 . 1 . . . . 154 GLU N . 26600 1 607 . 1 1 155 155 LEU H H 1 9.179 0.020 . 1 . . . . 155 LEU H . 26600 1 608 . 1 1 155 155 LEU C C 13 175.557 0.3 . 1 . . . . 155 LEU C . 26600 1 609 . 1 1 155 155 LEU CA C 13 54.422 0.3 . 1 . . . . 155 LEU CA . 26600 1 610 . 1 1 155 155 LEU CB C 13 44.251 0.3 . 1 . . . . 155 LEU CB . 26600 1 611 . 1 1 155 155 LEU N N 15 131.220 0.3 . 1 . . . . 155 LEU N . 26600 1 612 . 1 1 156 156 SER H H 1 9.638 0.020 . 1 . . . . 156 SER H . 26600 1 613 . 1 1 156 156 SER C C 13 171.327 0.3 . 1 . . . . 156 SER C . 26600 1 614 . 1 1 156 156 SER CA C 13 56.370 0.3 . 1 . . . . 156 SER CA . 26600 1 615 . 1 1 156 156 SER CB C 13 66.060 0.3 . 1 . . . . 156 SER CB . 26600 1 616 . 1 1 156 156 SER N N 15 122.067 0.3 . 1 . . . . 156 SER N . 26600 1 617 . 1 1 157 157 TRP H H 1 8.797 0.020 . 1 . . . . 157 TRP H . 26600 1 618 . 1 1 157 157 TRP C C 13 175.222 0.3 . 1 . . . . 157 TRP C . 26600 1 619 . 1 1 157 157 TRP CA C 13 56.081 0.3 . 1 . . . . 157 TRP CA . 26600 1 620 . 1 1 157 157 TRP CB C 13 32.160 0.3 . 1 . . . . 157 TRP CB . 26600 1 621 . 1 1 157 157 TRP N N 15 120.703 0.3 . 1 . . . . 157 TRP N . 26600 1 622 . 1 1 158 158 TRP H H 1 9.335 0.020 . 1 . . . . 158 TRP H . 26600 1 623 . 1 1 158 158 TRP C C 13 176.766 0.3 . 1 . . . . 158 TRP C . 26600 1 624 . 1 1 158 158 TRP CA C 13 54.832 0.3 . 1 . . . . 158 TRP CA . 26600 1 625 . 1 1 158 158 TRP CB C 13 29.490 0.3 . 1 . . . . 158 TRP CB . 26600 1 626 . 1 1 158 158 TRP N N 15 120.939 0.3 . 1 . . . . 158 TRP N . 26600 1 627 . 1 1 159 159 VAL H H 1 9.180 0.020 . 1 . . . . 159 VAL H . 26600 1 628 . 1 1 159 159 VAL C C 13 176.429 0.3 . 1 . . . . 159 VAL C . 26600 1 629 . 1 1 159 159 VAL CA C 13 59.894 0.3 . 1 . . . . 159 VAL CA . 26600 1 630 . 1 1 159 159 VAL CB C 13 32.234 0.3 . 1 . . . . 159 VAL CB . 26600 1 631 . 1 1 159 159 VAL N N 15 126.945 0.3 . 1 . . . . 159 VAL N . 26600 1 632 . 1 1 160 160 ASN H H 1 9.713 0.020 . 1 . . . . 160 ASN H . 26600 1 633 . 1 1 160 160 ASN C C 13 175.860 0.3 . 1 . . . . 160 ASN C . 26600 1 634 . 1 1 160 160 ASN CA C 13 54.166 0.3 . 1 . . . . 160 ASN CA . 26600 1 635 . 1 1 160 160 ASN CB C 13 36.091 0.3 . 1 . . . . 160 ASN CB . 26600 1 636 . 1 1 160 160 ASN N N 15 128.887 0.3 . 1 . . . . 160 ASN N . 26600 1 637 . 1 1 161 161 GLY H H 1 8.884 0.020 . 1 . . . . 161 GLY H . 26600 1 638 . 1 1 161 161 GLY C C 13 173.593 0.3 . 1 . . . . 161 GLY C . 26600 1 639 . 1 1 161 161 GLY CA C 13 44.992 0.3 . 1 . . . . 161 GLY CA . 26600 1 640 . 1 1 161 161 GLY N N 15 102.388 0.3 . 1 . . . . 161 GLY N . 26600 1 641 . 1 1 162 162 LYS H H 1 7.716 0.020 . 1 . . . . 162 LYS H . 26600 1 642 . 1 1 162 162 LYS C C 13 174.114 0.3 . 1 . . . . 162 LYS C . 26600 1 643 . 1 1 162 162 LYS CA C 13 53.836 0.3 . 1 . . . . 162 LYS CA . 26600 1 644 . 1 1 162 162 LYS CB C 13 33.866 0.3 . 1 . . . . 162 LYS CB . 26600 1 645 . 1 1 162 162 LYS N N 15 121.104 0.3 . 1 . . . . 162 LYS N . 26600 1 646 . 1 1 163 163 GLU H H 1 8.046 0.020 . 1 . . . . 163 GLU H . 26600 1 647 . 1 1 163 163 GLU C C 13 176.682 0.3 . 1 . . . . 163 GLU C . 26600 1 648 . 1 1 163 163 GLU CA C 13 55.852 0.3 . 1 . . . . 163 GLU CA . 26600 1 649 . 1 1 163 163 GLU CB C 13 27.413 0.3 . 1 . . . . 163 GLU CB . 26600 1 650 . 1 1 163 163 GLU N N 15 127.954 0.3 . 1 . . . . 163 GLU N . 26600 1 651 . 1 1 164 164 VAL H H 1 7.964 0.020 . 1 . . . . 164 VAL H . 26600 1 652 . 1 1 164 164 VAL C C 13 173.509 0.3 . 1 . . . . 164 VAL C . 26600 1 653 . 1 1 164 164 VAL CA C 13 59.929 0.3 . 1 . . . . 164 VAL CA . 26600 1 654 . 1 1 164 164 VAL CB C 13 33.644 0.3 . 1 . . . . 164 VAL CB . 26600 1 655 . 1 1 164 164 VAL N N 15 123.111 0.3 . 1 . . . . 164 VAL N . 26600 1 656 . 1 1 167 167 GLY H H 1 8.689 0.020 . 1 . . . . 167 GLY H . 26600 1 657 . 1 1 167 167 GLY C C 13 173.761 0.3 . 1 . . . . 167 GLY C . 26600 1 658 . 1 1 167 167 GLY CA C 13 45.100 0.3 . 1 . . . . 167 GLY CA . 26600 1 659 . 1 1 167 167 GLY N N 15 112.848 0.3 . 1 . . . . 167 GLY N . 26600 1 660 . 1 1 168 168 VAL H H 1 7.174 0.020 . 1 . . . . 168 VAL H . 26600 1 661 . 1 1 168 168 VAL C C 13 176.783 0.3 . 1 . . . . 168 VAL C . 26600 1 662 . 1 1 168 168 VAL CA C 13 61.002 0.3 . 1 . . . . 168 VAL CA . 26600 1 663 . 1 1 168 168 VAL CB C 13 32.457 0.3 . 1 . . . . 168 VAL CB . 26600 1 664 . 1 1 168 168 VAL N N 15 121.154 0.3 . 1 . . . . 168 VAL N . 26600 1 665 . 1 1 169 169 SER H H 1 9.002 0.020 . 1 . . . . 169 SER H . 26600 1 666 . 1 1 169 169 SER C C 13 173.241 0.3 . 1 . . . . 169 SER C . 26600 1 667 . 1 1 169 169 SER CA C 13 56.117 0.3 . 1 . . . . 169 SER CA . 26600 1 668 . 1 1 169 169 SER CB C 13 63.241 0.3 . 1 . . . . 169 SER CB . 26600 1 669 . 1 1 169 169 SER N N 15 123.227 0.3 . 1 . . . . 169 SER N . 26600 1 670 . 1 1 170 170 THR H H 1 9.170 0.020 . 1 . . . . 170 THR H . 26600 1 671 . 1 1 170 170 THR C C 13 173.660 0.3 . 1 . . . . 170 THR C . 26600 1 672 . 1 1 170 170 THR CA C 13 60.620 0.3 . 1 . . . . 170 THR CA . 26600 1 673 . 1 1 170 170 THR CB C 13 69.330 0.3 . 1 . . . . 170 THR CB . 26600 1 674 . 1 1 170 170 THR N N 15 127.661 0.3 . 1 . . . . 170 THR N . 26600 1 675 . 1 1 171 171 ASP H H 1 8.467 0.020 . 1 . . . . 171 ASP H . 26600 1 676 . 1 1 171 171 ASP C C 13 174.382 0.3 . 1 . . . . 171 ASP C . 26600 1 677 . 1 1 171 171 ASP CA C 13 53.448 0.3 . 1 . . . . 171 ASP CA . 26600 1 678 . 1 1 171 171 ASP CB C 13 39.593 0.3 . 1 . . . . 171 ASP CB . 26600 1 679 . 1 1 171 171 ASP N N 15 130.281 0.3 . 1 . . . . 171 ASP N . 26600 1 680 . 1 1 173 173 GLN H H 1 7.209 0.020 . 1 . . . . 173 GLN H . 26600 1 681 . 1 1 173 173 GLN C C 13 174.013 0.3 . 1 . . . . 173 GLN C . 26600 1 682 . 1 1 173 173 GLN CA C 13 53.448 0.3 . 1 . . . . 173 GLN CA . 26600 1 683 . 1 1 173 173 GLN CB C 13 30.930 0.3 . 1 . . . . 173 GLN CB . 26600 1 684 . 1 1 173 173 GLN N N 15 112.786 0.3 . 1 . . . . 173 GLN N . 26600 1 685 . 1 1 174 174 ALA H H 1 8.927 0.020 . 1 . . . . 174 ALA H . 26600 1 686 . 1 1 174 174 ALA C C 13 176.447 0.3 . 1 . . . . 174 ALA C . 26600 1 687 . 1 1 174 174 ALA CA C 13 51.747 0.3 . 1 . . . . 174 ALA CA . 26600 1 688 . 1 1 174 174 ALA CB C 13 18.559 0.3 . 1 . . . . 174 ALA CB . 26600 1 689 . 1 1 174 174 ALA N N 15 125.161 0.3 . 1 . . . . 174 ALA N . 26600 1 690 . 1 1 175 175 TYR H H 1 9.234 0.020 . 1 . . . . 175 TYR H . 26600 1 691 . 1 1 175 175 TYR C C 13 174.685 0.3 . 1 . . . . 175 TYR C . 26600 1 692 . 1 1 175 175 TYR CA C 13 55.755 0.3 . 1 . . . . 175 TYR CA . 26600 1 693 . 1 1 175 175 TYR CB C 13 38.910 0.3 . 1 . . . . 175 TYR CB . 26600 1 694 . 1 1 175 175 TYR N N 15 123.824 0.3 . 1 . . . . 175 TYR N . 26600 1 695 . 1 1 176 176 LYS H H 1 8.328 0.020 . 1 . . . . 176 LYS H . 26600 1 696 . 1 1 176 176 LYS C C 13 175.356 0.3 . 1 . . . . 176 LYS C . 26600 1 697 . 1 1 176 176 LYS CA C 13 55.967 0.3 . 1 . . . . 176 LYS CA . 26600 1 698 . 1 1 176 176 LYS CB C 13 30.676 0.3 . 1 . . . . 176 LYS CB . 26600 1 699 . 1 1 176 176 LYS N N 15 126.772 0.3 . 1 . . . . 176 LYS N . 26600 1 700 . 1 1 177 177 GLU H H 1 8.259 0.020 . 1 . . . . 177 GLU H . 26600 1 701 . 1 1 177 177 GLU C C 13 176.263 0.3 . 1 . . . . 177 GLU C . 26600 1 702 . 1 1 177 177 GLU CA C 13 56.884 0.3 . 1 . . . . 177 GLU CA . 26600 1 703 . 1 1 177 177 GLU CB C 13 29.812 0.3 . 1 . . . . 177 GLU CB . 26600 1 704 . 1 1 177 177 GLU N N 15 127.894 0.3 . 1 . . . . 177 GLU N . 26600 1 705 . 1 1 178 178 SER H H 1 7.948 0.020 . 1 . . . . 178 SER H . 26600 1 706 . 1 1 178 178 SER C C 13 173.644 0.3 . 1 . . . . 178 SER C . 26600 1 707 . 1 1 178 178 SER CA C 13 56.635 0.3 . 1 . . . . 178 SER CA . 26600 1 708 . 1 1 178 178 SER CB C 13 62.592 0.3 . 1 . . . . 178 SER CB . 26600 1 709 . 1 1 178 178 SER N N 15 112.085 0.3 . 1 . . . . 178 SER N . 26600 1 710 . 1 1 180 180 TYR H H 1 7.671 0.020 . 1 . . . . 180 TYR H . 26600 1 711 . 1 1 180 180 TYR C C 13 174.030 0.3 . 1 . . . . 180 TYR C . 26600 1 712 . 1 1 180 180 TYR CA C 13 54.339 0.3 . 1 . . . . 180 TYR CA . 26600 1 713 . 1 1 180 180 TYR CB C 13 37.152 0.3 . 1 . . . . 180 TYR CB . 26600 1 714 . 1 1 180 180 TYR N N 15 113.039 0.3 . 1 . . . . 180 TYR N . 26600 1 715 . 1 1 181 181 SER H H 1 6.673 0.020 . 1 . . . . 181 SER H . 26600 1 716 . 1 1 181 181 SER C C 13 172.250 0.3 . 1 . . . . 181 SER C . 26600 1 717 . 1 1 181 181 SER CA C 13 58.088 0.3 . 1 . . . . 181 SER CA . 26600 1 718 . 1 1 181 181 SER CB C 13 63.834 0.3 . 1 . . . . 181 SER CB . 26600 1 719 . 1 1 181 181 SER N N 15 111.676 0.3 . 1 . . . . 181 SER N . 26600 1 720 . 1 1 182 182 TYR H H 1 8.624 0.020 . 1 . . . . 182 TYR H . 26600 1 721 . 1 1 182 182 TYR C C 13 174.047 0.3 . 1 . . . . 182 TYR C . 26600 1 722 . 1 1 182 182 TYR CA C 13 56.528 0.3 . 1 . . . . 182 TYR CA . 26600 1 723 . 1 1 182 182 TYR CB C 13 42.134 0.3 . 1 . . . . 182 TYR CB . 26600 1 724 . 1 1 182 182 TYR N N 15 125.962 0.3 . 1 . . . . 182 TYR N . 26600 1 725 . 1 1 183 183 SER H H 1 8.929 0.020 . 1 . . . . 183 SER H . 26600 1 726 . 1 1 183 183 SER C C 13 172.569 0.3 . 1 . . . . 183 SER C . 26600 1 727 . 1 1 183 183 SER CA C 13 56.387 0.3 . 1 . . . . 183 SER CA . 26600 1 728 . 1 1 183 183 SER CB C 13 66.282 0.3 . 1 . . . . 183 SER CB . 26600 1 729 . 1 1 183 183 SER N N 15 111.110 0.3 . 1 . . . . 183 SER N . 26600 1 730 . 1 1 184 184 LEU H H 1 9.390 0.020 . 1 . . . . 184 LEU H . 26600 1 731 . 1 1 184 184 LEU C C 13 173.526 0.3 . 1 . . . . 184 LEU C . 26600 1 732 . 1 1 184 184 LEU CA C 13 55.498 0.3 . 1 . . . . 184 LEU CA . 26600 1 733 . 1 1 184 184 LEU CB C 13 46.693 0.3 . 1 . . . . 184 LEU CB . 26600 1 734 . 1 1 184 184 LEU N N 15 123.836 0.3 . 1 . . . . 184 LEU N . 26600 1 735 . 1 1 185 185 SER H H 1 8.514 0.020 . 1 . . . . 185 SER H . 26600 1 736 . 1 1 185 185 SER C C 13 172.435 0.3 . 1 . . . . 185 SER C . 26600 1 737 . 1 1 185 185 SER CA C 13 55.967 0.3 . 1 . . . . 185 SER CA . 26600 1 738 . 1 1 185 185 SER CB C 13 67.469 0.3 . 1 . . . . 185 SER CB . 26600 1 739 . 1 1 185 185 SER N N 15 120.906 0.3 . 1 . . . . 185 SER N . 26600 1 740 . 1 1 186 186 SER H H 1 8.841 0.020 . 1 . . . . 186 SER H . 26600 1 741 . 1 1 186 186 SER C C 13 172.501 0.3 . 1 . . . . 186 SER C . 26600 1 742 . 1 1 186 186 SER CA C 13 56.216 0.3 . 1 . . . . 186 SER CA . 26600 1 743 . 1 1 186 186 SER CB C 13 63.886 0.3 . 1 . . . . 186 SER CB . 26600 1 744 . 1 1 186 186 SER N N 15 113.130 0.3 . 1 . . . . 186 SER N . 26600 1 745 . 1 1 187 187 ARG H H 1 8.600 0.020 . 1 . . . . 187 ARG H . 26600 1 746 . 1 1 187 187 ARG C C 13 173.407 0.3 . 1 . . . . 187 ARG C . 26600 1 747 . 1 1 187 187 ARG CA C 13 54.163 0.3 . 1 . . . . 187 ARG CA . 26600 1 748 . 1 1 187 187 ARG CB C 13 31.863 0.3 . 1 . . . . 187 ARG CB . 26600 1 749 . 1 1 187 187 ARG N N 15 127.476 0.3 . 1 . . . . 187 ARG N . 26600 1 750 . 1 1 188 188 LEU H H 1 8.164 0.020 . 1 . . . . 188 LEU H . 26600 1 751 . 1 1 188 188 LEU C C 13 173.543 0.3 . 1 . . . . 188 LEU C . 26600 1 752 . 1 1 188 188 LEU CA C 13 52.490 0.3 . 1 . . . . 188 LEU CA . 26600 1 753 . 1 1 188 188 LEU CB C 13 39.875 0.3 . 1 . . . . 188 LEU CB . 26600 1 754 . 1 1 188 188 LEU N N 15 124.095 0.3 . 1 . . . . 188 LEU N . 26600 1 755 . 1 1 189 189 ARG H H 1 8.205 0.020 . 1 . . . . 189 ARG H . 26600 1 756 . 1 1 189 189 ARG C C 13 175.741 0.3 . 1 . . . . 189 ARG C . 26600 1 757 . 1 1 189 189 ARG CA C 13 54.017 0.3 . 1 . . . . 189 ARG CA . 26600 1 758 . 1 1 189 189 ARG CB C 13 30.516 0.3 . 1 . . . . 189 ARG CB . 26600 1 759 . 1 1 189 189 ARG N N 15 127.334 0.3 . 1 . . . . 189 ARG N . 26600 1 760 . 1 1 190 190 VAL H H 1 8.686 0.020 . 1 . . . . 190 VAL H . 26600 1 761 . 1 1 190 190 VAL C C 13 174.651 0.3 . 1 . . . . 190 VAL C . 26600 1 762 . 1 1 190 190 VAL CA C 13 57.801 0.3 . 1 . . . . 190 VAL CA . 26600 1 763 . 1 1 190 190 VAL CB C 13 34.905 0.3 . 1 . . . . 190 VAL CB . 26600 1 764 . 1 1 190 190 VAL N N 15 119.043 0.3 . 1 . . . . 190 VAL N . 26600 1 765 . 1 1 191 191 SER H H 1 8.619 0.020 . 1 . . . . 191 SER H . 26600 1 766 . 1 1 191 191 SER C C 13 175.457 0.3 . 1 . . . . 191 SER C . 26600 1 767 . 1 1 191 191 SER CA C 13 57.991 0.3 . 1 . . . . 191 SER CA . 26600 1 768 . 1 1 191 191 SER CB C 13 63.232 0.3 . 1 . . . . 191 SER CB . 26600 1 769 . 1 1 191 191 SER N N 15 116.443 0.3 . 1 . . . . 191 SER N . 26600 1 770 . 1 1 192 192 ALA H H 1 8.240 0.020 . 1 . . . . 192 ALA H . 26600 1 771 . 1 1 192 192 ALA C C 13 178.428 0.3 . 1 . . . . 192 ALA C . 26600 1 772 . 1 1 192 192 ALA CA C 13 55.288 0.3 . 1 . . . . 192 ALA CA . 26600 1 773 . 1 1 192 192 ALA CB C 13 16.928 0.3 . 1 . . . . 192 ALA CB . 26600 1 774 . 1 1 192 192 ALA N N 15 126.607 0.3 . 1 . . . . 192 ALA N . 26600 1 775 . 1 1 193 193 THR H H 1 7.931 0.020 . 1 . . . . 193 THR H . 26600 1 776 . 1 1 193 193 THR C C 13 175.625 0.3 . 1 . . . . 193 THR C . 26600 1 777 . 1 1 193 193 THR CA C 13 64.600 0.3 . 1 . . . . 193 THR CA . 26600 1 778 . 1 1 193 193 THR CB C 13 68.276 0.3 . 1 . . . . 193 THR CB . 26600 1 779 . 1 1 193 193 THR N N 15 108.560 0.3 . 1 . . . . 193 THR N . 26600 1 780 . 1 1 194 194 PHE H H 1 7.608 0.020 . 1 . . . . 194 PHE H . 26600 1 781 . 1 1 194 194 PHE C C 13 177.925 0.3 . 1 . . . . 194 PHE C . 26600 1 782 . 1 1 194 194 PHE CA C 13 60.693 0.3 . 1 . . . . 194 PHE CA . 26600 1 783 . 1 1 194 194 PHE CB C 13 39.851 0.3 . 1 . . . . 194 PHE CB . 26600 1 784 . 1 1 194 194 PHE N N 15 124.343 0.3 . 1 . . . . 194 PHE N . 26600 1 785 . 1 1 195 195 TRP H H 1 7.635 0.020 . 1 . . . . 195 TRP H . 26600 1 786 . 1 1 195 195 TRP C C 13 173.979 0.3 . 1 . . . . 195 TRP C . 26600 1 787 . 1 1 195 195 TRP CA C 13 58.406 0.3 . 1 . . . . 195 TRP CA . 26600 1 788 . 1 1 195 195 TRP CB C 13 28.945 0.3 . 1 . . . . 195 TRP CB . 26600 1 789 . 1 1 195 195 TRP N N 15 119.495 0.3 . 1 . . . . 195 TRP N . 26600 1 790 . 1 1 196 196 HIS H H 1 7.594 0.020 . 1 . . . . 196 HIS H . 26600 1 791 . 1 1 196 196 HIS C C 13 174.047 0.3 . 1 . . . . 196 HIS C . 26600 1 792 . 1 1 196 196 HIS CA C 13 54.060 0.3 . 1 . . . . 196 HIS CA . 26600 1 793 . 1 1 196 196 HIS CB C 13 27.528 0.3 . 1 . . . . 196 HIS CB . 26600 1 794 . 1 1 196 196 HIS N N 15 112.379 0.3 . 1 . . . . 196 HIS N . 26600 1 795 . 1 1 197 197 ASN H H 1 6.872 0.020 . 1 . . . . 197 ASN H . 26600 1 796 . 1 1 197 197 ASN C C 13 174.211 0.3 . 1 . . . . 197 ASN C . 26600 1 797 . 1 1 197 197 ASN CA C 13 49.021 0.3 . 1 . . . . 197 ASN CA . 26600 1 798 . 1 1 197 197 ASN CB C 13 38.135 0.3 . 1 . . . . 197 ASN CB . 26600 1 799 . 1 1 197 197 ASN N N 15 118.370 0.3 . 1 . . . . 197 ASN N . 26600 1 800 . 1 1 199 199 ARG H H 1 7.589 0.020 . 1 . . . . 199 ARG H . 26600 1 801 . 1 1 199 199 ARG C C 13 176.849 0.3 . 1 . . . . 199 ARG C . 26600 1 802 . 1 1 199 199 ARG CA C 13 55.346 0.3 . 1 . . . . 199 ARG CA . 26600 1 803 . 1 1 199 199 ARG CB C 13 28.529 0.3 . 1 . . . . 199 ARG CB . 26600 1 804 . 1 1 199 199 ARG N N 15 115.056 0.3 . 1 . . . . 199 ARG N . 26600 1 805 . 1 1 200 200 ASN H H 1 7.634 0.020 . 1 . . . . 200 ASN H . 26600 1 806 . 1 1 200 200 ASN C C 13 171.930 0.3 . 1 . . . . 200 ASN C . 26600 1 807 . 1 1 200 200 ASN CA C 13 51.950 0.3 . 1 . . . . 200 ASN CA . 26600 1 808 . 1 1 200 200 ASN CB C 13 37.745 0.3 . 1 . . . . 200 ASN CB . 26600 1 809 . 1 1 200 200 ASN N N 15 118.188 0.3 . 1 . . . . 200 ASN N . 26600 1 810 . 1 1 201 201 HIS H H 1 8.171 0.020 . 1 . . . . 201 HIS H . 26600 1 811 . 1 1 201 201 HIS C C 13 173.004 0.3 . 1 . . . . 201 HIS C . 26600 1 812 . 1 1 201 201 HIS CA C 13 55.218 0.3 . 1 . . . . 201 HIS CA . 26600 1 813 . 1 1 201 201 HIS CB C 13 33.866 0.3 . 1 . . . . 201 HIS CB . 26600 1 814 . 1 1 201 201 HIS N N 15 122.614 0.3 . 1 . . . . 201 HIS N . 26600 1 815 . 1 1 202 202 PHE H H 1 8.403 0.020 . 1 . . . . 202 PHE H . 26600 1 816 . 1 1 202 202 PHE C C 13 173.474 0.3 . 1 . . . . 202 PHE C . 26600 1 817 . 1 1 202 202 PHE CA C 13 55.795 0.3 . 1 . . . . 202 PHE CA . 26600 1 818 . 1 1 202 202 PHE CB C 13 41.136 0.3 . 1 . . . . 202 PHE CB . 26600 1 819 . 1 1 202 202 PHE N N 15 124.438 0.3 . 1 . . . . 202 PHE N . 26600 1 820 . 1 1 203 203 ARG H H 1 9.106 0.020 . 1 . . . . 203 ARG H . 26600 1 821 . 1 1 203 203 ARG C C 13 173.374 0.3 . 1 . . . . 203 ARG C . 26600 1 822 . 1 1 203 203 ARG CA C 13 54.215 0.3 . 1 . . . . 203 ARG CA . 26600 1 823 . 1 1 203 203 ARG CB C 13 34.237 0.3 . 1 . . . . 203 ARG CB . 26600 1 824 . 1 1 203 203 ARG N N 15 121.474 0.3 . 1 . . . . 203 ARG N . 26600 1 825 . 1 1 204 204 CYS H H 1 8.786 0.020 . 1 . . . . 204 CYS H . 26600 1 826 . 1 1 204 204 CYS C C 13 171.493 0.3 . 1 . . . . 204 CYS C . 26600 1 827 . 1 1 204 204 CYS CA C 13 51.973 0.3 . 1 . . . . 204 CYS CA . 26600 1 828 . 1 1 204 204 CYS CB C 13 42.322 0.3 . 1 . . . . 204 CYS CB . 26600 1 829 . 1 1 204 204 CYS N N 15 127.355 0.3 . 1 . . . . 204 CYS N . 26600 1 830 . 1 1 205 205 GLN H H 1 9.198 0.020 . 1 . . . . 205 GLN H . 26600 1 831 . 1 1 205 205 GLN C C 13 173.441 0.3 . 1 . . . . 205 GLN C . 26600 1 832 . 1 1 205 205 GLN CA C 13 53.804 0.3 . 1 . . . . 205 GLN CA . 26600 1 833 . 1 1 205 205 GLN CB C 13 31.937 0.3 . 1 . . . . 205 GLN CB . 26600 1 834 . 1 1 205 205 GLN N N 15 127.825 0.3 . 1 . . . . 205 GLN N . 26600 1 835 . 1 1 206 206 VAL H H 1 9.069 0.020 . 1 . . . . 206 VAL H . 26600 1 836 . 1 1 206 206 VAL C C 13 174.197 0.3 . 1 . . . . 206 VAL C . 26600 1 837 . 1 1 206 206 VAL CA C 13 60.202 0.3 . 1 . . . . 206 VAL CA . 26600 1 838 . 1 1 206 206 VAL CB C 13 31.344 0.3 . 1 . . . . 206 VAL CB . 26600 1 839 . 1 1 206 206 VAL N N 15 127.474 0.3 . 1 . . . . 206 VAL N . 26600 1 840 . 1 1 207 207 GLN H H 1 8.819 0.020 . 1 . . . . 207 GLN H . 26600 1 841 . 1 1 207 207 GLN C C 13 173.554 0.3 . 1 . . . . 207 GLN C . 26600 1 842 . 1 1 207 207 GLN CA C 13 54.401 0.3 . 1 . . . . 207 GLN CA . 26600 1 843 . 1 1 207 207 GLN CB C 13 28.896 0.3 . 1 . . . . 207 GLN CB . 26600 1 844 . 1 1 207 207 GLN N N 15 128.481 0.3 . 1 . . . . 207 GLN N . 26600 1 845 . 1 1 208 208 PHE H H 1 8.740 0.020 . 1 . . . . 208 PHE H . 26600 1 846 . 1 1 208 208 PHE C C 13 172.496 0.3 . 1 . . . . 208 PHE C . 26600 1 847 . 1 1 208 208 PHE CA C 13 54.934 0.3 . 1 . . . . 208 PHE CA . 26600 1 848 . 1 1 208 208 PHE CB C 13 40.724 0.3 . 1 . . . . 208 PHE CB . 26600 1 849 . 1 1 208 208 PHE N N 15 128.317 0.3 . 1 . . . . 208 PHE N . 26600 1 850 . 1 1 209 209 HIS H H 1 7.545 0.020 . 1 . . . . 209 HIS H . 26600 1 851 . 1 1 209 209 HIS C C 13 173.044 0.3 . 1 . . . . 209 HIS C . 26600 1 852 . 1 1 209 209 HIS CA C 13 55.312 0.3 . 1 . . . . 209 HIS CA . 26600 1 853 . 1 1 209 209 HIS CB C 13 28.556 0.3 . 1 . . . . 209 HIS CB . 26600 1 854 . 1 1 209 209 HIS N N 15 128.293 0.3 . 1 . . . . 209 HIS N . 26600 1 855 . 1 1 210 210 GLY H H 1 7.582 0.020 . 1 . . . . 210 GLY H . 26600 1 856 . 1 1 210 210 GLY C C 13 174.065 0.3 . 1 . . . . 210 GLY C . 26600 1 857 . 1 1 210 210 GLY CA C 13 42.903 0.3 . 1 . . . . 210 GLY CA . 26600 1 858 . 1 1 210 210 GLY N N 15 110.319 0.3 . 1 . . . . 210 GLY N . 26600 1 859 . 1 1 211 211 LEU H H 1 8.202 0.020 . 1 . . . . 211 LEU H . 26600 1 860 . 1 1 211 211 LEU C C 13 175.837 0.3 . 1 . . . . 211 LEU C . 26600 1 861 . 1 1 211 211 LEU CA C 13 53.907 0.3 . 1 . . . . 211 LEU CA . 26600 1 862 . 1 1 211 211 LEU CB C 13 41.110 0.3 . 1 . . . . 211 LEU CB . 26600 1 863 . 1 1 211 211 LEU N N 15 122.018 0.3 . 1 . . . . 211 LEU N . 26600 1 864 . 1 1 212 212 SER H H 1 9.269 0.020 . 1 . . . . 212 SER H . 26600 1 865 . 1 1 212 212 SER C C 13 176.029 0.3 . 1 . . . . 212 SER C . 26600 1 866 . 1 1 212 212 SER CA C 13 56.555 0.3 . 1 . . . . 212 SER CA . 26600 1 867 . 1 1 212 212 SER CB C 13 64.791 0.3 . 1 . . . . 212 SER CB . 26600 1 868 . 1 1 212 212 SER N N 15 116.524 0.3 . 1 . . . . 212 SER N . 26600 1 869 . 1 1 213 213 GLU H H 1 8.937 0.020 . 1 . . . . 213 GLU H . 26600 1 870 . 1 1 213 213 GLU C C 13 177.369 0.3 . 1 . . . . 213 GLU C . 26600 1 871 . 1 1 213 213 GLU CA C 13 58.940 0.3 . 1 . . . . 213 GLU CA . 26600 1 872 . 1 1 213 213 GLU CB C 13 28.526 0.3 . 1 . . . . 213 GLU CB . 26600 1 873 . 1 1 213 213 GLU N N 15 123.013 0.3 . 1 . . . . 213 GLU N . 26600 1 874 . 1 1 214 214 GLU H H 1 8.330 0.020 . 1 . . . . 214 GLU H . 26600 1 875 . 1 1 214 214 GLU C C 13 176.901 0.3 . 1 . . . . 214 GLU C . 26600 1 876 . 1 1 214 214 GLU CA C 13 56.640 0.3 . 1 . . . . 214 GLU CA . 26600 1 877 . 1 1 214 214 GLU CB C 13 28.677 0.3 . 1 . . . . 214 GLU CB . 26600 1 878 . 1 1 214 214 GLU N N 15 115.224 0.3 . 1 . . . . 214 GLU N . 26600 1 879 . 1 1 215 215 ASP H H 1 7.175 0.020 . 1 . . . . 215 ASP H . 26600 1 880 . 1 1 215 215 ASP C C 13 175.474 0.3 . 1 . . . . 215 ASP C . 26600 1 881 . 1 1 215 215 ASP CA C 13 54.780 0.3 . 1 . . . . 215 ASP CA . 26600 1 882 . 1 1 215 215 ASP CB C 13 41.507 0.3 . 1 . . . . 215 ASP CB . 26600 1 883 . 1 1 215 215 ASP N N 15 120.448 0.3 . 1 . . . . 215 ASP N . 26600 1 884 . 1 1 216 216 LYS H H 1 8.482 0.020 . 1 . . . . 216 LYS H . 26600 1 885 . 1 1 216 216 LYS C C 13 175.556 0.3 . 1 . . . . 216 LYS C . 26600 1 886 . 1 1 216 216 LYS CA C 13 55.737 0.3 . 1 . . . . 216 LYS CA . 26600 1 887 . 1 1 216 216 LYS CB C 13 31.700 0.3 . 1 . . . . 216 LYS CB . 26600 1 888 . 1 1 216 216 LYS N N 15 123.182 0.3 . 1 . . . . 216 LYS N . 26600 1 889 . 1 1 217 217 TRP H H 1 8.187 0.020 . 1 . . . . 217 TRP H . 26600 1 890 . 1 1 217 217 TRP C C 13 173.644 0.3 . 1 . . . . 217 TRP C . 26600 1 891 . 1 1 217 217 TRP CA C 13 53.305 0.3 . 1 . . . . 217 TRP CA . 26600 1 892 . 1 1 217 217 TRP CB C 13 32.604 0.3 . 1 . . . . 217 TRP CB . 26600 1 893 . 1 1 217 217 TRP N N 15 123.408 0.3 . 1 . . . . 217 TRP N . 26600 1 894 . 1 1 220 220 GLY H H 1 8.584 0.020 . 1 . . . . 220 GLY H . 26600 1 895 . 1 1 220 220 GLY C C 13 173.622 0.3 . 1 . . . . 220 GLY C . 26600 1 896 . 1 1 220 220 GLY CA C 13 44.945 0.3 . 1 . . . . 220 GLY CA . 26600 1 897 . 1 1 220 220 GLY N N 15 109.897 0.3 . 1 . . . . 220 GLY N . 26600 1 898 . 1 1 221 221 SER H H 1 7.631 0.020 . 1 . . . . 221 SER H . 26600 1 899 . 1 1 221 221 SER C C 13 172.114 0.3 . 1 . . . . 221 SER C . 26600 1 900 . 1 1 221 221 SER CA C 13 55.500 0.3 . 1 . . . . 221 SER CA . 26600 1 901 . 1 1 221 221 SER CB C 13 62.944 0.3 . 1 . . . . 221 SER CB . 26600 1 902 . 1 1 221 221 SER N N 15 115.643 0.3 . 1 . . . . 221 SER N . 26600 1 903 . 1 1 225 225 VAL H H 1 7.472 0.020 . 1 . . . . 225 VAL H . 26600 1 904 . 1 1 225 225 VAL C C 13 175.590 0.3 . 1 . . . . 225 VAL C . 26600 1 905 . 1 1 225 225 VAL CA C 13 59.751 0.3 . 1 . . . . 225 VAL CA . 26600 1 906 . 1 1 225 225 VAL CB C 13 32.086 0.3 . 1 . . . . 225 VAL CB . 26600 1 907 . 1 1 225 225 VAL N N 15 117.446 0.3 . 1 . . . . 225 VAL N . 26600 1 908 . 1 1 226 226 THR H H 1 7.659 0.020 . 1 . . . . 226 THR H . 26600 1 909 . 1 1 226 226 THR C C 13 174.567 0.3 . 1 . . . . 226 THR C . 26600 1 910 . 1 1 226 226 THR CA C 13 63.011 0.3 . 1 . . . . 226 THR CA . 26600 1 911 . 1 1 226 226 THR CB C 13 68.437 0.3 . 1 . . . . 226 THR CB . 26600 1 912 . 1 1 226 226 THR N N 15 117.825 0.3 . 1 . . . . 226 THR N . 26600 1 913 . 1 1 227 227 GLN H H 1 8.758 0.020 . 1 . . . . 227 GLN H . 26600 1 914 . 1 1 227 227 GLN C C 13 172.015 0.3 . 1 . . . . 227 GLN C . 26600 1 915 . 1 1 227 227 GLN CA C 13 54.215 0.3 . 1 . . . . 227 GLN CA . 26600 1 916 . 1 1 227 227 GLN CB C 13 31.492 0.3 . 1 . . . . 227 GLN CB . 26600 1 917 . 1 1 227 227 GLN N N 15 122.411 0.3 . 1 . . . . 227 GLN N . 26600 1 918 . 1 1 228 228 ASN H H 1 8.497 0.020 . 1 . . . . 228 ASN H . 26600 1 919 . 1 1 228 228 ASN C C 13 174.505 0.3 . 1 . . . . 228 ASN C . 26600 1 920 . 1 1 228 228 ASN CA C 13 51.150 0.3 . 1 . . . . 228 ASN CA . 26600 1 921 . 1 1 228 228 ASN CB C 13 39.207 0.3 . 1 . . . . 228 ASN CB . 26600 1 922 . 1 1 228 228 ASN N N 15 119.541 0.3 . 1 . . . . 228 ASN N . 26600 1 923 . 1 1 229 229 ILE H H 1 8.909 0.020 . 1 . . . . 229 ILE H . 26600 1 924 . 1 1 229 229 ILE C C 13 174.602 0.3 . 1 . . . . 229 ILE C . 26600 1 925 . 1 1 229 229 ILE CA C 13 59.922 0.3 . 1 . . . . 229 ILE CA . 26600 1 926 . 1 1 229 229 ILE CB C 13 39.355 0.3 . 1 . . . . 229 ILE CB . 26600 1 927 . 1 1 229 229 ILE N N 15 126.493 0.3 . 1 . . . . 229 ILE N . 26600 1 928 . 1 1 230 230 SER H H 1 8.433 0.020 . 1 . . . . 230 SER H . 26600 1 929 . 1 1 230 230 SER C C 13 172.947 0.3 . 1 . . . . 230 SER C . 26600 1 930 . 1 1 230 230 SER CA C 13 56.597 0.3 . 1 . . . . 230 SER CA . 26600 1 931 . 1 1 230 230 SER CB C 13 66.251 0.3 . 1 . . . . 230 SER CB . 26600 1 932 . 1 1 230 230 SER N N 15 120.317 0.3 . 1 . . . . 230 SER N . 26600 1 933 . 1 1 231 231 ALA H H 1 8.490 0.020 . 1 . . . . 231 ALA H . 26600 1 934 . 1 1 231 231 ALA C C 13 175.013 0.3 . 1 . . . . 231 ALA C . 26600 1 935 . 1 1 231 231 ALA CA C 13 50.718 0.3 . 1 . . . . 231 ALA CA . 26600 1 936 . 1 1 231 231 ALA CB C 13 22.104 0.3 . 1 . . . . 231 ALA CB . 26600 1 937 . 1 1 231 231 ALA N N 15 123.837 0.3 . 1 . . . . 231 ALA N . 26600 1 938 . 1 1 232 232 GLU H H 1 8.642 0.020 . 1 . . . . 232 GLU H . 26600 1 939 . 1 1 232 232 GLU C C 13 174.441 0.3 . 1 . . . . 232 GLU C . 26600 1 940 . 1 1 232 232 GLU CA C 13 53.674 0.3 . 1 . . . . 232 GLU CA . 26600 1 941 . 1 1 232 232 GLU CB C 13 33.673 0.3 . 1 . . . . 232 GLU CB . 26600 1 942 . 1 1 232 232 GLU N N 15 118.164 0.3 . 1 . . . . 232 GLU N . 26600 1 943 . 1 1 233 233 ALA H H 1 8.914 0.020 . 1 . . . . 233 ALA H . 26600 1 944 . 1 1 233 233 ALA C C 13 174.778 0.3 . 1 . . . . 233 ALA C . 26600 1 945 . 1 1 233 233 ALA CA C 13 51.437 0.3 . 1 . . . . 233 ALA CA . 26600 1 946 . 1 1 233 233 ALA CB C 13 21.543 0.3 . 1 . . . . 233 ALA CB . 26600 1 947 . 1 1 233 233 ALA N N 15 121.867 0.3 . 1 . . . . 233 ALA N . 26600 1 948 . 1 1 234 234 TRP H H 1 8.407 0.020 . 1 . . . . 234 TRP H . 26600 1 949 . 1 1 234 234 TRP C C 13 176.176 0.3 . 1 . . . . 234 TRP C . 26600 1 950 . 1 1 234 234 TRP CA C 13 56.106 0.3 . 1 . . . . 234 TRP CA . 26600 1 951 . 1 1 234 234 TRP CB C 13 30.973 0.3 . 1 . . . . 234 TRP CB . 26600 1 952 . 1 1 234 234 TRP N N 15 121.463 0.3 . 1 . . . . 234 TRP N . 26600 1 953 . 1 1 235 235 GLY H H 1 8.510 0.020 . 1 . . . . 235 GLY H . 26600 1 954 . 1 1 235 235 GLY C C 13 171.999 0.3 . 1 . . . . 235 GLY C . 26600 1 955 . 1 1 235 235 GLY CA C 13 45.094 0.3 . 1 . . . . 235 GLY CA . 26600 1 956 . 1 1 235 235 GLY N N 15 105.335 0.3 . 1 . . . . 235 GLY N . 26600 1 957 . 1 1 236 236 ARG H H 1 5.967 0.020 . 1 . . . . 236 ARG H . 26600 1 958 . 1 1 236 236 ARG C C 13 174.517 0.3 . 1 . . . . 236 ARG C . 26600 1 959 . 1 1 236 236 ARG CA C 13 53.976 0.3 . 1 . . . . 236 ARG CA . 26600 1 960 . 1 1 236 236 ARG CB C 13 31.328 0.3 . 1 . . . . 236 ARG CB . 26600 1 961 . 1 1 236 236 ARG N N 15 116.764 0.3 . 1 . . . . 236 ARG N . 26600 1 962 . 1 1 237 237 ALA H H 1 8.395 0.020 . 1 . . . . 237 ALA H . 26600 1 963 . 1 1 237 237 ALA C C 13 177.387 0.3 . 1 . . . . 237 ALA C . 26600 1 964 . 1 1 237 237 ALA CA C 13 51.724 0.3 . 1 . . . . 237 ALA CA . 26600 1 965 . 1 1 237 237 ALA CB C 13 17.964 0.3 . 1 . . . . 237 ALA CB . 26600 1 966 . 1 1 237 237 ALA N N 15 126.014 0.3 . 1 . . . . 237 ALA N . 26600 1 967 . 1 1 238 238 ASP H H 1 8.217 0.020 . 1 . . . . 238 ASP H . 26600 1 968 . 1 1 238 238 ASP C C 13 174.936 0.3 . 1 . . . . 238 ASP C . 26600 1 969 . 1 1 238 238 ASP CA C 13 53.444 0.3 . 1 . . . . 238 ASP CA . 26600 1 970 . 1 1 238 238 ASP CB C 13 39.852 0.3 . 1 . . . . 238 ASP CB . 26600 1 971 . 1 1 238 238 ASP N N 15 120.440 0.3 . 1 . . . . 238 ASP N . 26600 1 972 . 1 1 239 239 SER H H 1 7.590 0.020 . 1 . . . . 239 SER H . 26600 1 973 . 1 1 239 239 SER C C 13 178.445 0.3 . 1 . . . . 239 SER C . 26600 1 974 . 1 1 239 239 SER CA C 13 59.256 0.3 . 1 . . . . 239 SER CA . 26600 1 975 . 1 1 239 239 SER CB C 13 64.023 0.3 . 1 . . . . 239 SER CB . 26600 1 976 . 1 1 239 239 SER N N 15 121.119 0.3 . 1 . . . . 239 SER N . 26600 1 stop_ save_