data_26602 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26602 _Entry.Title ; Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor D10 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 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor D10 beta subunit' _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. . . 26602 2 Haribabu Arthanari . . . . 26602 3 Ellis Reinherz . L. . . 26602 4 Gerhard Wagner . . . . 26602 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26602 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 554 26602 '15N chemical shifts' 192 26602 '1H chemical shifts' 192 26602 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' 26602 1 . . 2015-07-14 2015-07-06 original author 'original release' 26602 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26600 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N15 beta subunit' 26602 BMRB 26601 'Backbone 1H, 13C, 15N chemical shift assignments for T cell receptor N30 beta subunit' 26602 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26602 _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. . . 26602 1 2 Ellis Reinherz . L. . . 26602 1 3 Gerhard Wagner . . . . 26602 1 4 Haribabu Arthanari . . . . 26602 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MHC 26602 1 'T-cell Receptor (TCR)' 26602 1 immunology 26602 1 'protein refolding' 26602 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26602 _Assembly.ID 1 _Assembly.Name 'D10alphabetaTCR, pTalpha/D10beta' _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 $D10_beta_TCR A . yes native no no . . . 26602 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 22 22 SG . 1 . 1 CYS 90 90 SG . . . . . . . . . . 26602 1 2 disulfide single . 1 . 1 CYS 142 142 SG . 1 . 1 CYS 203 203 SG . . . . . . . . . . 26602 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_D10_beta_TCR _Entity.Sf_category entity _Entity.Sf_framecode D10_beta_TCR _Entity.Entry_ID 26602 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name D10_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 ; MAVTQSPRNKVAVTGGKVTL SCNQTNNHNNMYWYRQDTGH GLRLIHYSYGAGSTEKGDIP DGYKASRPSQENFSLILELA TPSQTSVYFCASGGQGRAEQ FFGPGTRLTVLEDLRNVTPP KVSLFEPSKAEIANKQKATL VCLARGFFPDHVELSWWVNG KEVHSGVSTDPQAYKESNYS YSLSSRLRVSATFWHNPRNH FRCQVQFHGLSEEDKWPEGS PKPVTQNISAEAWGRAD ; _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 237 _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 . _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 2 MET . 26602 1 2 3 ALA . 26602 1 3 4 VAL . 26602 1 4 5 THR . 26602 1 5 6 GLN . 26602 1 6 7 SER . 26602 1 7 8 PRO . 26602 1 8 9 ARG . 26602 1 9 10 ASN . 26602 1 10 11 LYS . 26602 1 11 12 VAL . 26602 1 12 13 ALA . 26602 1 13 14 VAL . 26602 1 14 15 THR . 26602 1 15 16 GLY . 26602 1 16 17 GLY . 26602 1 17 18 LYS . 26602 1 18 19 VAL . 26602 1 19 20 THR . 26602 1 20 21 LEU . 26602 1 21 22 SER . 26602 1 22 23 CYS . 26602 1 23 24 ASN . 26602 1 24 25 GLN . 26602 1 25 26 THR . 26602 1 26 27 ASN . 26602 1 27 28 ASN . 26602 1 28 29 HIS . 26602 1 29 30 ASN . 26602 1 30 31 ASN . 26602 1 31 32 MET . 26602 1 32 33 TYR . 26602 1 33 34 TRP . 26602 1 34 35 TYR . 26602 1 35 36 ARG . 26602 1 36 37 GLN . 26602 1 37 38 ASP . 26602 1 38 39 THR . 26602 1 39 40 GLY . 26602 1 40 41 HIS . 26602 1 41 42 GLY . 26602 1 42 43 LEU . 26602 1 43 44 ARG . 26602 1 44 45 LEU . 26602 1 45 46 ILE . 26602 1 46 47 HIS . 26602 1 47 48 TYR . 26602 1 48 49 SER . 26602 1 49 50 TYR . 26602 1 50 51 GLY . 26602 1 51 52 ALA . 26602 1 52 53 GLY . 26602 1 53 54 SER . 26602 1 54 55 THR . 26602 1 55 56 GLU . 26602 1 56 57 LYS . 26602 1 57 58 GLY . 26602 1 58 59 ASP . 26602 1 59 60 ILE . 26602 1 60 61 PRO . 26602 1 61 62 ASP . 26602 1 62 63 GLY . 26602 1 63 64 TYR . 26602 1 64 65 LYS . 26602 1 65 66 ALA . 26602 1 66 67 SER . 26602 1 67 68 ARG . 26602 1 68 69 PRO . 26602 1 69 70 SER . 26602 1 70 71 GLN . 26602 1 71 72 GLU . 26602 1 72 73 ASN . 26602 1 73 74 PHE . 26602 1 74 75 SER . 26602 1 75 76 LEU . 26602 1 76 77 ILE . 26602 1 77 78 LEU . 26602 1 78 79 GLU . 26602 1 79 80 LEU . 26602 1 80 81 ALA . 26602 1 81 82 THR . 26602 1 82 83 PRO . 26602 1 83 84 SER . 26602 1 84 85 GLN . 26602 1 85 86 THR . 26602 1 86 87 SER . 26602 1 87 88 VAL . 26602 1 88 89 TYR . 26602 1 89 90 PHE . 26602 1 90 91 CYS . 26602 1 91 92 ALA . 26602 1 92 93 SER . 26602 1 93 94 GLY . 26602 1 94 95 GLY . 26602 1 95 96 GLN . 26602 1 96 97 GLY . 26602 1 97 98 ARG . 26602 1 98 99 ALA . 26602 1 99 100 GLU . 26602 1 100 101 GLN . 26602 1 101 102 PHE . 26602 1 102 103 PHE . 26602 1 103 104 GLY . 26602 1 104 105 PRO . 26602 1 105 106 GLY . 26602 1 106 107 THR . 26602 1 107 108 ARG . 26602 1 108 109 LEU . 26602 1 109 110 THR . 26602 1 110 111 VAL . 26602 1 111 112 LEU . 26602 1 112 113 GLU . 26602 1 113 114 ASP . 26602 1 114 115 LEU . 26602 1 115 116 ARG . 26602 1 116 117 ASN . 26602 1 117 118 VAL . 26602 1 118 119 THR . 26602 1 119 120 PRO . 26602 1 120 121 PRO . 26602 1 121 122 LYS . 26602 1 122 123 VAL . 26602 1 123 124 SER . 26602 1 124 125 LEU . 26602 1 125 126 PHE . 26602 1 126 127 GLU . 26602 1 127 128 PRO . 26602 1 128 129 SER . 26602 1 129 130 LYS . 26602 1 130 131 ALA . 26602 1 131 132 GLU . 26602 1 132 133 ILE . 26602 1 133 134 ALA . 26602 1 134 135 ASN . 26602 1 135 136 LYS . 26602 1 136 137 GLN . 26602 1 137 138 LYS . 26602 1 138 139 ALA . 26602 1 139 140 THR . 26602 1 140 141 LEU . 26602 1 141 142 VAL . 26602 1 142 143 CYS . 26602 1 143 144 LEU . 26602 1 144 145 ALA . 26602 1 145 146 ARG . 26602 1 146 147 GLY . 26602 1 147 148 PHE . 26602 1 148 149 PHE . 26602 1 149 150 PRO . 26602 1 150 151 ASP . 26602 1 151 152 HIS . 26602 1 152 153 VAL . 26602 1 153 154 GLU . 26602 1 154 155 LEU . 26602 1 155 156 SER . 26602 1 156 157 TRP . 26602 1 157 158 TRP . 26602 1 158 159 VAL . 26602 1 159 160 ASN . 26602 1 160 161 GLY . 26602 1 161 162 LYS . 26602 1 162 163 GLU . 26602 1 163 164 VAL . 26602 1 164 165 HIS . 26602 1 165 166 SER . 26602 1 166 167 GLY . 26602 1 167 168 VAL . 26602 1 168 169 SER . 26602 1 169 170 THR . 26602 1 170 171 ASP . 26602 1 171 172 PRO . 26602 1 172 173 GLN . 26602 1 173 174 ALA . 26602 1 174 175 TYR . 26602 1 175 176 LYS . 26602 1 176 177 GLU . 26602 1 177 178 SER . 26602 1 178 179 ASN . 26602 1 179 180 TYR . 26602 1 180 181 SER . 26602 1 181 182 TYR . 26602 1 182 183 SER . 26602 1 183 184 LEU . 26602 1 184 185 SER . 26602 1 185 186 SER . 26602 1 186 187 ARG . 26602 1 187 188 LEU . 26602 1 188 189 ARG . 26602 1 189 190 VAL . 26602 1 190 191 SER . 26602 1 191 192 ALA . 26602 1 192 193 THR . 26602 1 193 194 PHE . 26602 1 194 195 TRP . 26602 1 195 196 HIS . 26602 1 196 197 ASN . 26602 1 197 198 PRO . 26602 1 198 199 ARG . 26602 1 199 200 ASN . 26602 1 200 201 HIS . 26602 1 201 202 PHE . 26602 1 202 203 ARG . 26602 1 203 204 CYS . 26602 1 204 205 GLN . 26602 1 205 206 VAL . 26602 1 206 207 GLN . 26602 1 207 208 PHE . 26602 1 208 209 HIS . 26602 1 209 210 GLY . 26602 1 210 211 LEU . 26602 1 211 212 SER . 26602 1 212 213 GLU . 26602 1 213 214 GLU . 26602 1 214 215 ASP . 26602 1 215 216 LYS . 26602 1 216 217 TRP . 26602 1 217 218 PRO . 26602 1 218 219 GLU . 26602 1 219 220 GLY . 26602 1 220 221 SER . 26602 1 221 222 PRO . 26602 1 222 223 LYS . 26602 1 223 224 PRO . 26602 1 224 225 VAL . 26602 1 225 226 THR . 26602 1 226 227 GLN . 26602 1 227 228 ASN . 26602 1 228 229 ILE . 26602 1 229 230 SER . 26602 1 230 231 ALA . 26602 1 231 232 GLU . 26602 1 232 233 ALA . 26602 1 233 234 TRP . 26602 1 234 235 GLY . 26602 1 235 236 ARG . 26602 1 236 237 ALA . 26602 1 237 238 ASP . 26602 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26602 1 . ALA 2 2 26602 1 . VAL 3 3 26602 1 . THR 4 4 26602 1 . GLN 5 5 26602 1 . SER 6 6 26602 1 . PRO 7 7 26602 1 . ARG 8 8 26602 1 . ASN 9 9 26602 1 . LYS 10 10 26602 1 . VAL 11 11 26602 1 . ALA 12 12 26602 1 . VAL 13 13 26602 1 . THR 14 14 26602 1 . GLY 15 15 26602 1 . GLY 16 16 26602 1 . LYS 17 17 26602 1 . VAL 18 18 26602 1 . THR 19 19 26602 1 . LEU 20 20 26602 1 . SER 21 21 26602 1 . CYS 22 22 26602 1 . ASN 23 23 26602 1 . GLN 24 24 26602 1 . THR 25 25 26602 1 . ASN 26 26 26602 1 . ASN 27 27 26602 1 . HIS 28 28 26602 1 . ASN 29 29 26602 1 . ASN 30 30 26602 1 . MET 31 31 26602 1 . TYR 32 32 26602 1 . TRP 33 33 26602 1 . TYR 34 34 26602 1 . ARG 35 35 26602 1 . GLN 36 36 26602 1 . ASP 37 37 26602 1 . THR 38 38 26602 1 . GLY 39 39 26602 1 . HIS 40 40 26602 1 . GLY 41 41 26602 1 . LEU 42 42 26602 1 . ARG 43 43 26602 1 . LEU 44 44 26602 1 . ILE 45 45 26602 1 . HIS 46 46 26602 1 . TYR 47 47 26602 1 . SER 48 48 26602 1 . TYR 49 49 26602 1 . GLY 50 50 26602 1 . ALA 51 51 26602 1 . GLY 52 52 26602 1 . SER 53 53 26602 1 . THR 54 54 26602 1 . GLU 55 55 26602 1 . LYS 56 56 26602 1 . GLY 57 57 26602 1 . ASP 58 58 26602 1 . ILE 59 59 26602 1 . PRO 60 60 26602 1 . ASP 61 61 26602 1 . GLY 62 62 26602 1 . TYR 63 63 26602 1 . LYS 64 64 26602 1 . ALA 65 65 26602 1 . SER 66 66 26602 1 . ARG 67 67 26602 1 . PRO 68 68 26602 1 . SER 69 69 26602 1 . GLN 70 70 26602 1 . GLU 71 71 26602 1 . ASN 72 72 26602 1 . PHE 73 73 26602 1 . SER 74 74 26602 1 . LEU 75 75 26602 1 . ILE 76 76 26602 1 . LEU 77 77 26602 1 . GLU 78 78 26602 1 . LEU 79 79 26602 1 . ALA 80 80 26602 1 . THR 81 81 26602 1 . PRO 82 82 26602 1 . SER 83 83 26602 1 . GLN 84 84 26602 1 . THR 85 85 26602 1 . SER 86 86 26602 1 . VAL 87 87 26602 1 . TYR 88 88 26602 1 . PHE 89 89 26602 1 . CYS 90 90 26602 1 . ALA 91 91 26602 1 . SER 92 92 26602 1 . GLY 93 93 26602 1 . GLY 94 94 26602 1 . GLN 95 95 26602 1 . GLY 96 96 26602 1 . ARG 97 97 26602 1 . ALA 98 98 26602 1 . GLU 99 99 26602 1 . GLN 100 100 26602 1 . PHE 101 101 26602 1 . PHE 102 102 26602 1 . GLY 103 103 26602 1 . PRO 104 104 26602 1 . GLY 105 105 26602 1 . THR 106 106 26602 1 . ARG 107 107 26602 1 . LEU 108 108 26602 1 . THR 109 109 26602 1 . VAL 110 110 26602 1 . LEU 111 111 26602 1 . GLU 112 112 26602 1 . ASP 113 113 26602 1 . LEU 114 114 26602 1 . ARG 115 115 26602 1 . ASN 116 116 26602 1 . VAL 117 117 26602 1 . THR 118 118 26602 1 . PRO 119 119 26602 1 . PRO 120 120 26602 1 . LYS 121 121 26602 1 . VAL 122 122 26602 1 . SER 123 123 26602 1 . LEU 124 124 26602 1 . PHE 125 125 26602 1 . GLU 126 126 26602 1 . PRO 127 127 26602 1 . SER 128 128 26602 1 . LYS 129 129 26602 1 . ALA 130 130 26602 1 . GLU 131 131 26602 1 . ILE 132 132 26602 1 . ALA 133 133 26602 1 . ASN 134 134 26602 1 . LYS 135 135 26602 1 . GLN 136 136 26602 1 . LYS 137 137 26602 1 . ALA 138 138 26602 1 . THR 139 139 26602 1 . LEU 140 140 26602 1 . VAL 141 141 26602 1 . CYS 142 142 26602 1 . LEU 143 143 26602 1 . ALA 144 144 26602 1 . ARG 145 145 26602 1 . GLY 146 146 26602 1 . PHE 147 147 26602 1 . PHE 148 148 26602 1 . PRO 149 149 26602 1 . ASP 150 150 26602 1 . HIS 151 151 26602 1 . VAL 152 152 26602 1 . GLU 153 153 26602 1 . LEU 154 154 26602 1 . SER 155 155 26602 1 . TRP 156 156 26602 1 . TRP 157 157 26602 1 . VAL 158 158 26602 1 . ASN 159 159 26602 1 . GLY 160 160 26602 1 . LYS 161 161 26602 1 . GLU 162 162 26602 1 . VAL 163 163 26602 1 . HIS 164 164 26602 1 . SER 165 165 26602 1 . GLY 166 166 26602 1 . VAL 167 167 26602 1 . SER 168 168 26602 1 . THR 169 169 26602 1 . ASP 170 170 26602 1 . PRO 171 171 26602 1 . GLN 172 172 26602 1 . ALA 173 173 26602 1 . TYR 174 174 26602 1 . LYS 175 175 26602 1 . GLU 176 176 26602 1 . SER 177 177 26602 1 . ASN 178 178 26602 1 . TYR 179 179 26602 1 . SER 180 180 26602 1 . TYR 181 181 26602 1 . SER 182 182 26602 1 . LEU 183 183 26602 1 . SER 184 184 26602 1 . SER 185 185 26602 1 . ARG 186 186 26602 1 . LEU 187 187 26602 1 . ARG 188 188 26602 1 . VAL 189 189 26602 1 . SER 190 190 26602 1 . ALA 191 191 26602 1 . THR 192 192 26602 1 . PHE 193 193 26602 1 . TRP 194 194 26602 1 . HIS 195 195 26602 1 . ASN 196 196 26602 1 . PRO 197 197 26602 1 . ARG 198 198 26602 1 . ASN 199 199 26602 1 . HIS 200 200 26602 1 . PHE 201 201 26602 1 . ARG 202 202 26602 1 . CYS 203 203 26602 1 . GLN 204 204 26602 1 . VAL 205 205 26602 1 . GLN 206 206 26602 1 . PHE 207 207 26602 1 . HIS 208 208 26602 1 . GLY 209 209 26602 1 . LEU 210 210 26602 1 . SER 211 211 26602 1 . GLU 212 212 26602 1 . GLU 213 213 26602 1 . ASP 214 214 26602 1 . LYS 215 215 26602 1 . TRP 216 216 26602 1 . PRO 217 217 26602 1 . GLU 218 218 26602 1 . GLY 219 219 26602 1 . SER 220 220 26602 1 . PRO 221 221 26602 1 . LYS 222 222 26602 1 . PRO 223 223 26602 1 . VAL 224 224 26602 1 . THR 225 225 26602 1 . GLN 226 226 26602 1 . ASN 227 227 26602 1 . ILE 228 228 26602 1 . SER 229 229 26602 1 . ALA 230 230 26602 1 . GLU 231 231 26602 1 . ALA 232 232 26602 1 . TRP 233 233 26602 1 . GLY 234 234 26602 1 . ARG 235 235 26602 1 . ALA 236 236 26602 1 . ASP 237 237 26602 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 26602 _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 $D10_beta_TCR . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 26602 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 26602 _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 $D10_beta_TCR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet11d . . . 26602 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26602 _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 'D10 beta TCR' '[U-13C; U-15N; U-2H]' . . 1 $D10_beta_TCR . . 0.4 . . mM . . . . 26602 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26602 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26602 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26602 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26602 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 26602 _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 26602 1 pH 7 . pH 26602 1 pressure 1 . atm 26602 1 temperature 298 . K 26602 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26602 _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' . . 26602 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26602 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 26602 _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 26602 _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 26602 _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 26602 _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 . . . 26602 1 2 spectrometer_2 Bruker Avance . 600 . . . 26602 1 3 spectrometer_3 Varian INOVA . 600 . . . 26602 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 26602 _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 . . . . . . . . . . . . . . . . 26602 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 26602 _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 . . . . . 26602 1 H 1 water protons . . . . ppm 4.7 internal indirect 1 . . . . . 26602 1 N 15 water protons . . . . ppm 4.7 internal indirect 1 . . . . . 26602 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 26602 _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' . . . 26602 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 VAL H H 1 8.362 0.020 . 1 . . . . 4 VAL H . 26602 1 2 . 1 1 3 3 VAL C C 13 175.053 0.3 . 1 . . . . 4 VAL C . 26602 1 3 . 1 1 3 3 VAL CA C 13 62.019 0.3 . 1 . . . . 4 VAL CA . 26602 1 4 . 1 1 3 3 VAL CB C 13 33.143 0.3 . 1 . . . . 4 VAL CB . 26602 1 5 . 1 1 3 3 VAL N N 15 122.107 0.3 . 1 . . . . 4 VAL N . 26602 1 6 . 1 1 4 4 THR H H 1 9.404 0.020 . 1 . . . . 5 THR H . 26602 1 7 . 1 1 4 4 THR C C 13 173.321 0.3 . 1 . . . . 5 THR C . 26602 1 8 . 1 1 4 4 THR CA C 13 59.225 0.3 . 1 . . . . 5 THR CA . 26602 1 9 . 1 1 4 4 THR CB C 13 70.661 0.3 . 1 . . . . 5 THR CB . 26602 1 10 . 1 1 4 4 THR N N 15 119.182 0.3 . 1 . . . . 5 THR N . 26602 1 11 . 1 1 5 5 GLN H H 1 8.275 0.020 . 1 . . . . 6 GLN H . 26602 1 12 . 1 1 5 5 GLN C C 13 174.423 0.3 . 1 . . . . 6 GLN C . 26602 1 13 . 1 1 5 5 GLN CA C 13 53.636 0.3 . 1 . . . . 6 GLN CA . 26602 1 14 . 1 1 5 5 GLN CB C 13 32.774 0.3 . 1 . . . . 6 GLN CB . 26602 1 15 . 1 1 5 5 GLN N N 15 117.982 0.3 . 1 . . . . 6 GLN N . 26602 1 16 . 1 1 6 6 SER H H 1 8.511 0.020 . 1 . . . . 7 SER H . 26602 1 17 . 1 1 6 6 SER C C 13 172.454 0.3 . 1 . . . . 7 SER C . 26602 1 18 . 1 1 6 6 SER CA C 13 54.519 0.3 . 1 . . . . 7 SER CA . 26602 1 19 . 1 1 6 6 SER CB C 13 64.469 0.3 . 1 . . . . 7 SER CB . 26602 1 20 . 1 1 6 6 SER N N 15 115.442 0.3 . 1 . . . . 7 SER N . 26602 1 21 . 1 1 9 9 ASN H H 1 7.580 0.020 . 1 . . . . 10 ASN H . 26602 1 22 . 1 1 9 9 ASN C C 13 173.116 0.3 . 1 . . . . 10 ASN C . 26602 1 23 . 1 1 9 9 ASN CA C 13 52.313 0.3 . 1 . . . . 10 ASN CA . 26602 1 24 . 1 1 9 9 ASN CB C 13 42.967 0.3 . 1 . . . . 10 ASN CB . 26602 1 25 . 1 1 9 9 ASN N N 15 118.693 0.3 . 1 . . . . 10 ASN N . 26602 1 26 . 1 1 10 10 LYS H H 1 8.804 0.020 . 1 . . . . 11 LYS H . 26602 1 27 . 1 1 10 10 LYS C C 13 172.754 0.3 . 1 . . . . 11 LYS C . 26602 1 28 . 1 1 10 10 LYS CA C 13 54.489 0.3 . 1 . . . . 11 LYS CA . 26602 1 29 . 1 1 10 10 LYS CB C 13 34.322 0.3 . 1 . . . . 11 LYS CB . 26602 1 30 . 1 1 10 10 LYS N N 15 122.907 0.3 . 1 . . . . 11 LYS N . 26602 1 31 . 1 1 11 11 VAL H H 1 8.593 0.020 . 1 . . . . 12 VAL H . 26602 1 32 . 1 1 11 11 VAL C C 13 173.935 0.3 . 1 . . . . 12 VAL C . 26602 1 33 . 1 1 11 11 VAL CA C 13 60.136 0.3 . 1 . . . . 12 VAL CA . 26602 1 34 . 1 1 11 11 VAL CB C 13 31.521 0.3 . 1 . . . . 12 VAL CB . 26602 1 35 . 1 1 11 11 VAL N N 15 128.829 0.3 . 1 . . . . 12 VAL N . 26602 1 36 . 1 1 12 12 ALA H H 1 8.816 0.020 . 1 . . . . 13 ALA H . 26602 1 37 . 1 1 12 12 ALA C C 13 174.077 0.3 . 1 . . . . 13 ALA C . 26602 1 38 . 1 1 12 12 ALA CA C 13 48.754 0.3 . 1 . . . . 13 ALA CA . 26602 1 39 . 1 1 12 12 ALA CB C 13 22.307 0.3 . 1 . . . . 13 ALA CB . 26602 1 40 . 1 1 12 12 ALA N N 15 129.337 0.3 . 1 . . . . 13 ALA N . 26602 1 41 . 1 1 13 13 VAL H H 1 8.083 0.020 . 1 . . . . 14 VAL H . 26602 1 42 . 1 1 13 13 VAL C C 13 175.542 0.3 . 1 . . . . 14 VAL C . 26602 1 43 . 1 1 13 13 VAL CA C 13 58.636 0.3 . 1 . . . . 14 VAL CA . 26602 1 44 . 1 1 13 13 VAL CB C 13 32.995 0.3 . 1 . . . . 14 VAL CB . 26602 1 45 . 1 1 13 13 VAL N N 15 118.374 0.3 . 1 . . . . 14 VAL N . 26602 1 46 . 1 1 14 14 THR H H 1 7.924 0.020 . 1 . . . . 15 THR H . 26602 1 47 . 1 1 14 14 THR C C 13 175.652 0.3 . 1 . . . . 15 THR C . 26602 1 48 . 1 1 14 14 THR CA C 13 62.901 0.3 . 1 . . . . 15 THR CA . 26602 1 49 . 1 1 14 14 THR CB C 13 68.450 0.3 . 1 . . . . 15 THR CB . 26602 1 50 . 1 1 14 14 THR N N 15 120.553 0.3 . 1 . . . . 15 THR N . 26602 1 51 . 1 1 15 15 GLY H H 1 9.672 0.020 . 1 . . . . 16 GLY H . 26602 1 52 . 1 1 15 15 GLY C C 13 174.502 0.3 . 1 . . . . 16 GLY C . 26602 1 53 . 1 1 15 15 GLY CA C 13 44.077 0.3 . 1 . . . . 16 GLY CA . 26602 1 54 . 1 1 15 15 GLY N N 15 116.091 0.3 . 1 . . . . 16 GLY N . 26602 1 55 . 1 1 16 16 GLY H H 1 8.353 0.020 . 1 . . . . 17 GLY H . 26602 1 56 . 1 1 16 16 GLY C C 13 170.722 0.3 . 1 . . . . 17 GLY C . 26602 1 57 . 1 1 16 16 GLY CA C 13 43.695 0.3 . 1 . . . . 17 GLY CA . 26602 1 58 . 1 1 16 16 GLY N N 15 109.934 0.3 . 1 . . . . 17 GLY N . 26602 1 59 . 1 1 17 17 LYS H H 1 7.878 0.020 . 1 . . . . 18 LYS H . 26602 1 60 . 1 1 17 17 LYS C C 13 177.384 0.3 . 1 . . . . 18 LYS C . 26602 1 61 . 1 1 17 17 LYS CA C 13 54.107 0.3 . 1 . . . . 18 LYS CA . 26602 1 62 . 1 1 17 17 LYS CB C 13 32.627 0.3 . 1 . . . . 18 LYS CB . 26602 1 63 . 1 1 17 17 LYS N N 15 119.700 0.3 . 1 . . . . 18 LYS N . 26602 1 64 . 1 1 18 18 VAL H H 1 8.660 0.020 . 1 . . . . 19 VAL H . 26602 1 65 . 1 1 18 18 VAL C C 13 173.447 0.3 . 1 . . . . 19 VAL C . 26602 1 66 . 1 1 18 18 VAL CA C 13 60.254 0.3 . 1 . . . . 19 VAL CA . 26602 1 67 . 1 1 18 18 VAL CB C 13 34.690 0.3 . 1 . . . . 19 VAL CB . 26602 1 68 . 1 1 18 18 VAL N N 15 126.602 0.3 . 1 . . . . 19 VAL N . 26602 1 69 . 1 1 19 19 THR H H 1 8.159 0.020 . 1 . . . . 20 THR H . 26602 1 70 . 1 1 19 19 THR C C 13 173.494 0.3 . 1 . . . . 20 THR C . 26602 1 71 . 1 1 19 19 THR CA C 13 61.137 0.3 . 1 . . . . 20 THR CA . 26602 1 72 . 1 1 19 19 THR CB C 13 69.555 0.3 . 1 . . . . 20 THR CB . 26602 1 73 . 1 1 19 19 THR N N 15 122.451 0.3 . 1 . . . . 20 THR N . 26602 1 74 . 1 1 20 20 LEU H H 1 9.305 0.020 . 1 . . . . 21 LEU H . 26602 1 75 . 1 1 20 20 LEU C C 13 175.085 0.3 . 1 . . . . 21 LEU C . 26602 1 76 . 1 1 20 20 LEU CA C 13 52.783 0.3 . 1 . . . . 21 LEU CA . 26602 1 77 . 1 1 20 20 LEU CB C 13 41.251 0.3 . 1 . . . . 21 LEU CB . 26602 1 78 . 1 1 20 20 LEU N N 15 128.382 0.3 . 1 . . . . 21 LEU N . 26602 1 79 . 1 1 21 21 SER H H 1 8.951 0.020 . 1 . . . . 22 SER H . 26602 1 80 . 1 1 21 21 SER C C 13 172.958 0.3 . 1 . . . . 22 SER C . 26602 1 81 . 1 1 21 21 SER CA C 13 57.489 0.3 . 1 . . . . 22 SER CA . 26602 1 82 . 1 1 21 21 SER CB C 13 64.174 0.3 . 1 . . . . 22 SER CB . 26602 1 83 . 1 1 21 21 SER N N 15 117.569 0.3 . 1 . . . . 22 SER N . 26602 1 84 . 1 1 22 22 CYS H H 1 8.150 0.020 . 1 . . . . 23 CYS H . 26602 1 85 . 1 1 22 22 CYS C C 13 172.108 0.3 . 1 . . . . 23 CYS C . 26602 1 86 . 1 1 22 22 CYS CA C 13 52.842 0.3 . 1 . . . . 23 CYS CA . 26602 1 87 . 1 1 22 22 CYS CB C 13 41.545 0.3 . 1 . . . . 23 CYS CB . 26602 1 88 . 1 1 22 22 CYS N N 15 125.965 0.3 . 1 . . . . 23 CYS N . 26602 1 89 . 1 1 23 23 ASN H H 1 8.784 0.020 . 1 . . . . 24 ASN H . 26602 1 90 . 1 1 23 23 ASN C C 13 173.116 0.3 . 1 . . . . 24 ASN C . 26602 1 91 . 1 1 23 23 ASN CA C 13 51.224 0.3 . 1 . . . . 24 ASN CA . 26602 1 92 . 1 1 23 23 ASN CB C 13 42.356 0.3 . 1 . . . . 24 ASN CB . 26602 1 93 . 1 1 23 23 ASN N N 15 126.258 0.3 . 1 . . . . 24 ASN N . 26602 1 94 . 1 1 24 24 GLN H H 1 9.214 0.020 . 1 . . . . 25 GLN H . 26602 1 95 . 1 1 24 24 GLN C C 13 175.857 0.3 . 1 . . . . 25 GLN C . 26602 1 96 . 1 1 24 24 GLN CA C 13 52.283 0.3 . 1 . . . . 25 GLN CA . 26602 1 97 . 1 1 24 24 GLN CB C 13 29.604 0.3 . 1 . . . . 25 GLN CB . 26602 1 98 . 1 1 24 24 GLN N N 15 119.557 0.3 . 1 . . . . 25 GLN N . 26602 1 99 . 1 1 25 25 THR H H 1 8.161 0.020 . 1 . . . . 26 THR H . 26602 1 100 . 1 1 25 25 THR C C 13 174.518 0.3 . 1 . . . . 26 THR C . 26602 1 101 . 1 1 25 25 THR CA C 13 59.136 0.3 . 1 . . . . 26 THR CA . 26602 1 102 . 1 1 25 25 THR CB C 13 67.786 0.3 . 1 . . . . 26 THR CB . 26602 1 103 . 1 1 25 25 THR N N 15 110.856 0.3 . 1 . . . . 26 THR N . 26602 1 104 . 1 1 26 26 ASN H H 1 7.025 0.020 . 1 . . . . 27 ASN H . 26602 1 105 . 1 1 26 26 ASN C C 13 173.888 0.3 . 1 . . . . 27 ASN C . 26602 1 106 . 1 1 26 26 ASN CA C 13 52.754 0.3 . 1 . . . . 27 ASN CA . 26602 1 107 . 1 1 26 26 ASN CB C 13 37.197 0.3 . 1 . . . . 27 ASN CB . 26602 1 108 . 1 1 26 26 ASN N N 15 118.032 0.3 . 1 . . . . 27 ASN N . 26602 1 109 . 1 1 27 27 ASN H H 1 8.849 0.020 . 1 . . . . 28 ASN H . 26602 1 110 . 1 1 27 27 ASN C C 13 174.817 0.3 . 1 . . . . 28 ASN C . 26602 1 111 . 1 1 27 27 ASN CA C 13 53.136 0.3 . 1 . . . . 28 ASN CA . 26602 1 112 . 1 1 27 27 ASN CB C 13 36.459 0.3 . 1 . . . . 28 ASN CB . 26602 1 113 . 1 1 27 27 ASN N N 15 117.811 0.3 . 1 . . . . 28 ASN N . 26602 1 114 . 1 1 28 28 HIS H H 1 7.901 0.020 . 1 . . . . 29 HIS H . 26602 1 115 . 1 1 28 28 HIS C C 13 176.518 0.3 . 1 . . . . 29 HIS C . 26602 1 116 . 1 1 28 28 HIS CA C 13 53.695 0.3 . 1 . . . . 29 HIS CA . 26602 1 117 . 1 1 28 28 HIS CB C 13 32.405 0.3 . 1 . . . . 29 HIS CB . 26602 1 118 . 1 1 28 28 HIS N N 15 117.828 0.3 . 1 . . . . 29 HIS N . 26602 1 119 . 1 1 30 30 ASN H H 1 8.014 0.020 . 1 . . . . 31 ASN H . 26602 1 120 . 1 1 30 30 ASN C C 13 175.290 0.3 . 1 . . . . 31 ASN C . 26602 1 121 . 1 1 30 30 ASN CA C 13 51.460 0.3 . 1 . . . . 31 ASN CA . 26602 1 122 . 1 1 30 30 ASN CB C 13 37.934 0.3 . 1 . . . . 31 ASN CB . 26602 1 123 . 1 1 30 30 ASN N N 15 118.443 0.3 . 1 . . . . 31 ASN N . 26602 1 124 . 1 1 31 31 MET H H 1 8.124 0.020 . 1 . . . . 32 MET H . 26602 1 125 . 1 1 31 31 MET C C 13 172.832 0.3 . 1 . . . . 32 MET C . 26602 1 126 . 1 1 31 31 MET CA C 13 54.577 0.3 . 1 . . . . 32 MET CA . 26602 1 127 . 1 1 31 31 MET CB C 13 39.187 0.3 . 1 . . . . 32 MET CB . 26602 1 128 . 1 1 31 31 MET N N 15 117.272 0.3 . 1 . . . . 32 MET N . 26602 1 129 . 1 1 32 32 TYR H H 1 8.652 0.020 . 1 . . . . 33 TYR H . 26602 1 130 . 1 1 32 32 TYR C C 13 174.171 0.3 . 1 . . . . 33 TYR C . 26602 1 131 . 1 1 32 32 TYR CA C 13 57.901 0.3 . 1 . . . . 33 TYR CA . 26602 1 132 . 1 1 32 32 TYR CB C 13 43.020 0.3 . 1 . . . . 33 TYR CB . 26602 1 133 . 1 1 32 32 TYR N N 15 115.842 0.3 . 1 . . . . 33 TYR N . 26602 1 134 . 1 1 33 33 TRP H H 1 8.473 0.020 . 1 . . . . 34 TRP H . 26602 1 135 . 1 1 33 33 TRP C C 13 174.502 0.3 . 1 . . . . 34 TRP C . 26602 1 136 . 1 1 33 33 TRP CA C 13 56.872 0.3 . 1 . . . . 34 TRP CA . 26602 1 137 . 1 1 33 33 TRP CB C 13 33.585 0.3 . 1 . . . . 34 TRP CB . 26602 1 138 . 1 1 33 33 TRP N N 15 119.488 0.3 . 1 . . . . 34 TRP N . 26602 1 139 . 1 1 34 34 TYR H H 1 9.839 0.020 . 1 . . . . 35 TYR H . 26602 1 140 . 1 1 34 34 TYR C C 13 176.959 0.3 . 1 . . . . 35 TYR C . 26602 1 141 . 1 1 34 34 TYR CA C 13 56.077 0.3 . 1 . . . . 35 TYR CA . 26602 1 142 . 1 1 34 34 TYR CB C 13 43.609 0.3 . 1 . . . . 35 TYR CB . 26602 1 143 . 1 1 34 34 TYR N N 15 120.624 0.3 . 1 . . . . 35 TYR N . 26602 1 144 . 1 1 35 35 ARG H H 1 8.859 0.020 . 1 . . . . 36 ARG H . 26602 1 145 . 1 1 35 35 ARG C C 13 173.636 0.3 . 1 . . . . 36 ARG C . 26602 1 146 . 1 1 35 35 ARG CA C 13 53.989 0.3 . 1 . . . . 36 ARG CA . 26602 1 147 . 1 1 35 35 ARG CB C 13 31.300 0.3 . 1 . . . . 36 ARG CB . 26602 1 148 . 1 1 35 35 ARG N N 15 115.854 0.3 . 1 . . . . 36 ARG N . 26602 1 149 . 1 1 45 45 ILE H H 1 9.340 0.020 . 1 . . . . 46 ILE H . 26602 1 150 . 1 1 45 45 ILE C C 13 174.581 0.3 . 1 . . . . 46 ILE C . 26602 1 151 . 1 1 45 45 ILE CA C 13 63.901 0.3 . 1 . . . . 46 ILE CA . 26602 1 152 . 1 1 45 45 ILE CB C 13 38.966 0.3 . 1 . . . . 46 ILE CB . 26602 1 153 . 1 1 45 45 ILE N N 15 130.758 0.3 . 1 . . . . 46 ILE N . 26602 1 154 . 1 1 46 46 HIS H H 1 7.093 0.020 . 1 . . . . 47 HIS H . 26602 1 155 . 1 1 46 46 HIS C C 13 173.589 0.3 . 1 . . . . 47 HIS C . 26602 1 156 . 1 1 46 46 HIS CA C 13 55.225 0.3 . 1 . . . . 47 HIS CA . 26602 1 157 . 1 1 46 46 HIS CB C 13 39.334 0.3 . 1 . . . . 47 HIS CB . 26602 1 158 . 1 1 46 46 HIS N N 15 111.073 0.3 . 1 . . . . 47 HIS N . 26602 1 159 . 1 1 47 47 TYR H H 1 9.391 0.020 . 1 . . . . 48 TYR H . 26602 1 160 . 1 1 47 47 TYR C C 13 172.218 0.3 . 1 . . . . 48 TYR C . 26602 1 161 . 1 1 47 47 TYR CA C 13 55.489 0.3 . 1 . . . . 48 TYR CA . 26602 1 162 . 1 1 47 47 TYR CB C 13 40.587 0.3 . 1 . . . . 48 TYR CB . 26602 1 163 . 1 1 47 47 TYR N N 15 117.400 0.3 . 1 . . . . 48 TYR N . 26602 1 164 . 1 1 48 48 SER H H 1 8.125 0.020 . 1 . . . . 49 SER H . 26602 1 165 . 1 1 48 48 SER C C 13 173.982 0.3 . 1 . . . . 49 SER C . 26602 1 166 . 1 1 48 48 SER CA C 13 55.666 0.3 . 1 . . . . 49 SER CA . 26602 1 167 . 1 1 48 48 SER CB C 13 63.216 0.3 . 1 . . . . 49 SER CB . 26602 1 168 . 1 1 48 48 SER N N 15 113.465 0.3 . 1 . . . . 49 SER N . 26602 1 169 . 1 1 49 49 TYR H H 1 8.945 0.020 . 1 . . . . 50 TYR H . 26602 1 170 . 1 1 49 49 TYR C C 13 175.195 0.3 . 1 . . . . 50 TYR C . 26602 1 171 . 1 1 49 49 TYR CA C 13 54.901 0.3 . 1 . . . . 50 TYR CA . 26602 1 172 . 1 1 49 49 TYR CB C 13 36.975 0.3 . 1 . . . . 50 TYR CB . 26602 1 173 . 1 1 49 49 TYR N N 15 126.899 0.3 . 1 . . . . 50 TYR N . 26602 1 174 . 1 1 50 50 GLY H H 1 7.374 0.020 . 1 . . . . 51 GLY H . 26602 1 175 . 1 1 50 50 GLY C C 13 171.635 0.3 . 1 . . . . 51 GLY C . 26602 1 176 . 1 1 50 50 GLY CA C 13 44.518 0.3 . 1 . . . . 51 GLY CA . 26602 1 177 . 1 1 50 50 GLY N N 15 105.972 0.3 . 1 . . . . 51 GLY N . 26602 1 178 . 1 1 51 51 ALA H H 1 8.582 0.020 . 1 . . . . 52 ALA H . 26602 1 179 . 1 1 51 51 ALA C C 13 178.660 0.3 . 1 . . . . 52 ALA C . 26602 1 180 . 1 1 51 51 ALA CA C 13 53.019 0.3 . 1 . . . . 52 ALA CA . 26602 1 181 . 1 1 51 51 ALA CB C 13 16.705 0.3 . 1 . . . . 52 ALA CB . 26602 1 182 . 1 1 51 51 ALA N N 15 121.842 0.3 . 1 . . . . 52 ALA N . 26602 1 183 . 1 1 52 52 GLY H H 1 8.836 0.020 . 1 . . . . 53 GLY H . 26602 1 184 . 1 1 52 52 GLY C C 13 173.667 0.3 . 1 . . . . 53 GLY C . 26602 1 185 . 1 1 52 52 GLY CA C 13 44.989 0.3 . 1 . . . . 53 GLY CA . 26602 1 186 . 1 1 52 52 GLY N N 15 111.054 0.3 . 1 . . . . 53 GLY N . 26602 1 187 . 1 1 53 53 SER H H 1 7.937 0.020 . 1 . . . . 54 SER H . 26602 1 188 . 1 1 53 53 SER C C 13 172.927 0.3 . 1 . . . . 54 SER C . 26602 1 189 . 1 1 53 53 SER CA C 13 56.077 0.3 . 1 . . . . 54 SER CA . 26602 1 190 . 1 1 53 53 SER CB C 13 63.880 0.3 . 1 . . . . 54 SER CB . 26602 1 191 . 1 1 53 53 SER N N 15 114.981 0.3 . 1 . . . . 54 SER N . 26602 1 192 . 1 1 54 54 THR H H 1 8.263 0.020 . 1 . . . . 55 THR H . 26602 1 193 . 1 1 54 54 THR C C 13 171.431 0.3 . 1 . . . . 55 THR C . 26602 1 194 . 1 1 54 54 THR CA C 13 60.136 0.3 . 1 . . . . 55 THR CA . 26602 1 195 . 1 1 54 54 THR CB C 13 70.587 0.3 . 1 . . . . 55 THR CB . 26602 1 196 . 1 1 54 54 THR N N 15 116.423 0.3 . 1 . . . . 55 THR N . 26602 1 197 . 1 1 55 55 GLU H H 1 8.723 0.020 . 1 . . . . 56 GLU H . 26602 1 198 . 1 1 55 55 GLU C C 13 174.801 0.3 . 1 . . . . 56 GLU C . 26602 1 199 . 1 1 55 55 GLU CA C 13 52.842 0.3 . 1 . . . . 56 GLU CA . 26602 1 200 . 1 1 55 55 GLU CB C 13 30.784 0.3 . 1 . . . . 56 GLU CB . 26602 1 201 . 1 1 55 55 GLU N N 15 121.561 0.3 . 1 . . . . 56 GLU N . 26602 1 202 . 1 1 56 56 LYS H H 1 8.372 0.020 . 1 . . . . 57 LYS H . 26602 1 203 . 1 1 56 56 LYS C C 13 177.526 0.3 . 1 . . . . 57 LYS C . 26602 1 204 . 1 1 56 56 LYS CA C 13 56.754 0.3 . 1 . . . . 57 LYS CA . 26602 1 205 . 1 1 56 56 LYS CB C 13 32.627 0.3 . 1 . . . . 57 LYS CB . 26602 1 206 . 1 1 56 56 LYS N N 15 121.380 0.3 . 1 . . . . 57 LYS N . 26602 1 207 . 1 1 57 57 GLY H H 1 7.676 0.020 . 1 . . . . 58 GLY H . 26602 1 208 . 1 1 57 57 GLY C C 13 172.391 0.3 . 1 . . . . 58 GLY C . 26602 1 209 . 1 1 57 57 GLY CA C 13 42.812 0.3 . 1 . . . . 58 GLY CA . 26602 1 210 . 1 1 57 57 GLY N N 15 109.309 0.3 . 1 . . . . 58 GLY N . 26602 1 211 . 1 1 63 63 TYR H H 1 8.239 0.020 . 1 . . . . 64 TYR H . 26602 1 212 . 1 1 63 63 TYR C C 13 175.526 0.3 . 1 . . . . 64 TYR C . 26602 1 213 . 1 1 63 63 TYR CA C 13 56.048 0.3 . 1 . . . . 64 TYR CA . 26602 1 214 . 1 1 63 63 TYR CB C 13 41.619 0.3 . 1 . . . . 64 TYR CB . 26602 1 215 . 1 1 63 63 TYR N N 15 117.966 0.3 . 1 . . . . 64 TYR N . 26602 1 216 . 1 1 64 64 LYS H H 1 9.240 0.020 . 1 . . . . 65 LYS H . 26602 1 217 . 1 1 64 64 LYS C C 13 173.478 0.3 . 1 . . . . 65 LYS C . 26602 1 218 . 1 1 64 64 LYS CA C 13 53.872 0.3 . 1 . . . . 65 LYS CA . 26602 1 219 . 1 1 64 64 LYS CB C 13 34.985 0.3 . 1 . . . . 65 LYS CB . 26602 1 220 . 1 1 64 64 LYS N N 15 124.879 0.3 . 1 . . . . 65 LYS N . 26602 1 221 . 1 1 65 65 ALA H H 1 8.122 0.020 . 1 . . . . 66 ALA H . 26602 1 222 . 1 1 65 65 ALA C C 13 175.872 0.3 . 1 . . . . 66 ALA C . 26602 1 223 . 1 1 65 65 ALA CA C 13 49.577 0.3 . 1 . . . . 66 ALA CA . 26602 1 224 . 1 1 65 65 ALA CB C 13 21.496 0.3 . 1 . . . . 66 ALA CB . 26602 1 225 . 1 1 65 65 ALA N N 15 123.315 0.3 . 1 . . . . 66 ALA N . 26602 1 226 . 1 1 66 66 SER H H 1 8.184 0.020 . 1 . . . . 67 SER H . 26602 1 227 . 1 1 66 66 SER C C 13 172.076 0.3 . 1 . . . . 67 SER C . 26602 1 228 . 1 1 66 66 SER CA C 13 56.519 0.3 . 1 . . . . 67 SER CA . 26602 1 229 . 1 1 66 66 SER CB C 13 64.027 0.3 . 1 . . . . 67 SER CB . 26602 1 230 . 1 1 66 66 SER N N 15 113.375 0.3 . 1 . . . . 67 SER N . 26602 1 231 . 1 1 67 67 ARG H H 1 9.318 0.020 . 1 . . . . 68 ARG H . 26602 1 232 . 1 1 67 67 ARG C C 13 172.643 0.3 . 1 . . . . 68 ARG C . 26602 1 233 . 1 1 67 67 ARG CA C 13 51.077 0.3 . 1 . . . . 68 ARG CA . 26602 1 234 . 1 1 67 67 ARG CB C 13 29.973 0.3 . 1 . . . . 68 ARG CB . 26602 1 235 . 1 1 67 67 ARG N N 15 130.721 0.3 . 1 . . . . 68 ARG N . 26602 1 236 . 1 1 69 69 SER H H 1 7.599 0.020 . 1 . . . . 70 SER H . 26602 1 237 . 1 1 69 69 SER C C 13 173.084 0.3 . 1 . . . . 70 SER C . 26602 1 238 . 1 1 69 69 SER CA C 13 55.313 0.3 . 1 . . . . 70 SER CA . 26602 1 239 . 1 1 69 69 SER CB C 13 65.206 0.3 . 1 . . . . 70 SER CB . 26602 1 240 . 1 1 69 69 SER N N 15 110.173 0.3 . 1 . . . . 70 SER N . 26602 1 241 . 1 1 70 70 GLN H H 1 9.024 0.020 . 1 . . . . 71 GLN H . 26602 1 242 . 1 1 70 70 GLN C C 13 178.267 0.3 . 1 . . . . 71 GLN C . 26602 1 243 . 1 1 70 70 GLN CA C 13 57.430 0.3 . 1 . . . . 71 GLN CA . 26602 1 244 . 1 1 70 70 GLN CB C 13 27.835 0.3 . 1 . . . . 71 GLN CB . 26602 1 245 . 1 1 70 70 GLN N N 15 119.763 0.3 . 1 . . . . 71 GLN N . 26602 1 246 . 1 1 71 71 GLU H H 1 8.590 0.020 . 1 . . . . 72 GLU H . 26602 1 247 . 1 1 71 71 GLU C C 13 175.179 0.3 . 1 . . . . 72 GLU C . 26602 1 248 . 1 1 71 71 GLU CA C 13 58.519 0.3 . 1 . . . . 72 GLU CA . 26602 1 249 . 1 1 71 71 GLU CB C 13 29.383 0.3 . 1 . . . . 72 GLU CB . 26602 1 250 . 1 1 71 71 GLU N N 15 114.114 0.3 . 1 . . . . 72 GLU N . 26602 1 251 . 1 1 72 72 ASN H H 1 6.980 0.020 . 1 . . . . 73 ASN H . 26602 1 252 . 1 1 72 72 ASN C C 13 173.069 0.3 . 1 . . . . 73 ASN C . 26602 1 253 . 1 1 72 72 ASN CA C 13 52.048 0.3 . 1 . . . . 73 ASN CA . 26602 1 254 . 1 1 72 72 ASN CB C 13 42.430 0.3 . 1 . . . . 73 ASN CB . 26602 1 255 . 1 1 72 72 ASN N N 15 115.641 0.3 . 1 . . . . 73 ASN N . 26602 1 256 . 1 1 73 73 PHE H H 1 8.661 0.020 . 1 . . . . 74 PHE H . 26602 1 257 . 1 1 73 73 PHE C C 13 175.825 0.3 . 1 . . . . 74 PHE C . 26602 1 258 . 1 1 73 73 PHE CA C 13 52.695 0.3 . 1 . . . . 74 PHE CA . 26602 1 259 . 1 1 73 73 PHE CB C 13 40.587 0.3 . 1 . . . . 74 PHE CB . 26602 1 260 . 1 1 73 73 PHE N N 15 120.924 0.3 . 1 . . . . 74 PHE N . 26602 1 261 . 1 1 74 74 SER H H 1 9.636 0.020 . 1 . . . . 75 SER H . 26602 1 262 . 1 1 74 74 SER C C 13 170.958 0.3 . 1 . . . . 75 SER C . 26602 1 263 . 1 1 74 74 SER CA C 13 57.372 0.3 . 1 . . . . 75 SER CA . 26602 1 264 . 1 1 74 74 SER CB C 13 64.838 0.3 . 1 . . . . 75 SER CB . 26602 1 265 . 1 1 74 74 SER N N 15 125.194 0.3 . 1 . . . . 75 SER N . 26602 1 266 . 1 1 75 75 LEU H H 1 8.671 0.020 . 1 . . . . 76 LEU H . 26602 1 267 . 1 1 75 75 LEU C C 13 173.919 0.3 . 1 . . . . 76 LEU C . 26602 1 268 . 1 1 75 75 LEU CA C 13 52.224 0.3 . 1 . . . . 76 LEU CA . 26602 1 269 . 1 1 75 75 LEU CB C 13 41.398 0.3 . 1 . . . . 76 LEU CB . 26602 1 270 . 1 1 75 75 LEU N N 15 125.828 0.3 . 1 . . . . 76 LEU N . 26602 1 271 . 1 1 76 76 ILE H H 1 8.963 0.020 . 1 . . . . 77 ILE H . 26602 1 272 . 1 1 76 76 ILE C C 13 174.801 0.3 . 1 . . . . 77 ILE C . 26602 1 273 . 1 1 76 76 ILE CA C 13 60.401 0.3 . 1 . . . . 77 ILE CA . 26602 1 274 . 1 1 76 76 ILE CB C 13 40.071 0.3 . 1 . . . . 77 ILE CB . 26602 1 275 . 1 1 76 76 ILE N N 15 126.252 0.3 . 1 . . . . 77 ILE N . 26602 1 276 . 1 1 77 77 LEU H H 1 9.142 0.020 . 1 . . . . 78 LEU H . 26602 1 277 . 1 1 77 77 LEU C C 13 174.927 0.3 . 1 . . . . 78 LEU C . 26602 1 278 . 1 1 77 77 LEU CA C 13 54.489 0.3 . 1 . . . . 78 LEU CA . 26602 1 279 . 1 1 77 77 LEU CB C 13 38.744 0.3 . 1 . . . . 78 LEU CB . 26602 1 280 . 1 1 77 77 LEU N N 15 132.842 0.3 . 1 . . . . 78 LEU N . 26602 1 281 . 1 1 78 78 GLU H H 1 8.338 0.020 . 1 . . . . 79 GLU H . 26602 1 282 . 1 1 78 78 GLU C C 13 175.353 0.3 . 1 . . . . 79 GLU C . 26602 1 283 . 1 1 78 78 GLU CA C 13 58.283 0.3 . 1 . . . . 79 GLU CA . 26602 1 284 . 1 1 78 78 GLU CB C 13 29.310 0.3 . 1 . . . . 79 GLU CB . 26602 1 285 . 1 1 78 78 GLU N N 15 121.158 0.3 . 1 . . . . 79 GLU N . 26602 1 286 . 1 1 79 79 LEU H H 1 7.847 0.020 . 1 . . . . 80 LEU H . 26602 1 287 . 1 1 79 79 LEU C C 13 174.581 0.3 . 1 . . . . 80 LEU C . 26602 1 288 . 1 1 79 79 LEU CA C 13 53.577 0.3 . 1 . . . . 80 LEU CA . 26602 1 289 . 1 1 79 79 LEU CB C 13 41.324 0.3 . 1 . . . . 80 LEU CB . 26602 1 290 . 1 1 79 79 LEU N N 15 121.062 0.3 . 1 . . . . 80 LEU N . 26602 1 291 . 1 1 80 80 ALA H H 1 8.724 0.020 . 1 . . . . 81 ALA H . 26602 1 292 . 1 1 80 80 ALA C C 13 178.141 0.3 . 1 . . . . 81 ALA C . 26602 1 293 . 1 1 80 80 ALA CA C 13 52.166 0.3 . 1 . . . . 81 ALA CA . 26602 1 294 . 1 1 80 80 ALA CB C 13 17.074 0.3 . 1 . . . . 81 ALA CB . 26602 1 295 . 1 1 80 80 ALA N N 15 126.973 0.3 . 1 . . . . 81 ALA N . 26602 1 296 . 1 1 81 81 THR H H 1 8.507 0.020 . 1 . . . . 82 THR H . 26602 1 297 . 1 1 81 81 THR C C 13 174.045 0.3 . 1 . . . . 82 THR C . 26602 1 298 . 1 1 81 81 THR CA C 13 57.931 0.3 . 1 . . . . 82 THR CA . 26602 1 299 . 1 1 81 81 THR CB C 13 69.555 0.3 . 1 . . . . 82 THR CB . 26602 1 300 . 1 1 81 81 THR N N 15 113.131 0.3 . 1 . . . . 82 THR N . 26602 1 301 . 1 1 84 84 GLN H H 1 8.466 0.020 . 1 . . . . 85 GLN H . 26602 1 302 . 1 1 84 84 GLN C C 13 176.786 0.3 . 1 . . . . 85 GLN C . 26602 1 303 . 1 1 84 84 GLN CA C 13 55.695 0.3 . 1 . . . . 85 GLN CA . 26602 1 304 . 1 1 84 84 GLN CB C 13 27.246 0.3 . 1 . . . . 85 GLN CB . 26602 1 305 . 1 1 84 84 GLN N N 15 120.161 0.3 . 1 . . . . 85 GLN N . 26602 1 306 . 1 1 85 85 THR H H 1 7.903 0.020 . 1 . . . . 86 THR H . 26602 1 307 . 1 1 85 85 THR C C 13 173.384 0.3 . 1 . . . . 86 THR C . 26602 1 308 . 1 1 85 85 THR CA C 13 63.754 0.3 . 1 . . . . 86 THR CA . 26602 1 309 . 1 1 85 85 THR CB C 13 69.481 0.3 . 1 . . . . 86 THR CB . 26602 1 310 . 1 1 85 85 THR N N 15 123.432 0.3 . 1 . . . . 86 THR N . 26602 1 311 . 1 1 86 86 SER H H 1 8.899 0.020 . 1 . . . . 87 SER H . 26602 1 312 . 1 1 86 86 SER C C 13 174.455 0.3 . 1 . . . . 87 SER C . 26602 1 313 . 1 1 86 86 SER CA C 13 57.607 0.3 . 1 . . . . 87 SER CA . 26602 1 314 . 1 1 86 86 SER CB C 13 60.415 0.3 . 1 . . . . 87 SER CB . 26602 1 315 . 1 1 86 86 SER N N 15 122.817 0.3 . 1 . . . . 87 SER N . 26602 1 316 . 1 1 87 87 VAL H H 1 8.353 0.020 . 1 . . . . 88 VAL H . 26602 1 317 . 1 1 87 87 VAL C C 13 174.581 0.3 . 1 . . . . 88 VAL C . 26602 1 318 . 1 1 87 87 VAL CA C 13 60.989 0.3 . 1 . . . . 88 VAL CA . 26602 1 319 . 1 1 87 87 VAL CB C 13 31.816 0.3 . 1 . . . . 88 VAL CB . 26602 1 320 . 1 1 87 87 VAL N N 15 120.383 0.3 . 1 . . . . 88 VAL N . 26602 1 321 . 1 1 88 88 TYR H H 1 9.040 0.020 . 1 . . . . 89 TYR H . 26602 1 322 . 1 1 88 88 TYR C C 13 176.912 0.3 . 1 . . . . 89 TYR C . 26602 1 323 . 1 1 88 88 TYR CA C 13 56.136 0.3 . 1 . . . . 89 TYR CA . 26602 1 324 . 1 1 88 88 TYR CB C 13 40.772 0.3 . 1 . . . . 89 TYR CB . 26602 1 325 . 1 1 88 88 TYR N N 15 123.480 0.3 . 1 . . . . 89 TYR N . 26602 1 326 . 1 1 89 89 PHE H H 1 9.457 0.020 . 1 . . . . 90 PHE H . 26602 1 327 . 1 1 89 89 PHE C C 13 172.754 0.3 . 1 . . . . 90 PHE C . 26602 1 328 . 1 1 89 89 PHE CA C 13 57.901 0.3 . 1 . . . . 90 PHE CA . 26602 1 329 . 1 1 89 89 PHE CB C 13 43.388 0.3 . 1 . . . . 90 PHE CB . 26602 1 330 . 1 1 89 89 PHE N N 15 122.345 0.3 . 1 . . . . 90 PHE N . 26602 1 331 . 1 1 90 90 CYS H H 1 7.762 0.020 . 1 . . . . 91 CYS H . 26602 1 332 . 1 1 90 90 CYS C C 13 177.967 0.3 . 1 . . . . 91 CYS C . 26602 1 333 . 1 1 90 90 CYS CA C 13 51.136 0.3 . 1 . . . . 91 CYS CA . 26602 1 334 . 1 1 90 90 CYS CB C 13 44.273 0.3 . 1 . . . . 91 CYS CB . 26602 1 335 . 1 1 90 90 CYS N N 15 123.959 0.3 . 1 . . . . 91 CYS N . 26602 1 336 . 1 1 92 92 SER H H 1 9.082 0.020 . 1 . . . . 93 SER H . 26602 1 337 . 1 1 92 92 SER C C 13 172.880 0.3 . 1 . . . . 93 SER C . 26602 1 338 . 1 1 92 92 SER CA C 13 56.754 0.3 . 1 . . . . 93 SER CA . 26602 1 339 . 1 1 92 92 SER CB C 13 67.049 0.3 . 1 . . . . 93 SER CB . 26602 1 340 . 1 1 92 92 SER N N 15 116.157 0.3 . 1 . . . . 93 SER N . 26602 1 341 . 1 1 93 93 GLY H H 1 8.239 0.020 . 1 . . . . 94 GLY H . 26602 1 342 . 1 1 93 93 GLY C C 13 173.431 0.3 . 1 . . . . 94 GLY C . 26602 1 343 . 1 1 93 93 GLY CA C 13 44.224 0.3 . 1 . . . . 94 GLY CA . 26602 1 344 . 1 1 93 93 GLY N N 15 106.525 0.3 . 1 . . . . 94 GLY N . 26602 1 345 . 1 1 94 94 GLY H H 1 7.946 0.020 . 1 . . . . 95 GLY H . 26602 1 346 . 1 1 94 94 GLY C C 13 172.785 0.3 . 1 . . . . 95 GLY C . 26602 1 347 . 1 1 94 94 GLY CA C 13 43.783 0.3 . 1 . . . . 95 GLY CA . 26602 1 348 . 1 1 94 94 GLY N N 15 109.483 0.3 . 1 . . . . 95 GLY N . 26602 1 349 . 1 1 99 99 GLU H H 1 7.634 0.020 . 1 . . . . 100 GLU H . 26602 1 350 . 1 1 99 99 GLU C C 13 175.431 0.3 . 1 . . . . 100 GLU C . 26602 1 351 . 1 1 99 99 GLU CA C 13 55.254 0.3 . 1 . . . . 100 GLU CA . 26602 1 352 . 1 1 99 99 GLU CB C 13 29.162 0.3 . 1 . . . . 100 GLU CB . 26602 1 353 . 1 1 99 99 GLU N N 15 117.378 0.3 . 1 . . . . 100 GLU N . 26602 1 354 . 1 1 100 100 GLN H H 1 7.378 0.020 . 1 . . . . 101 GLN H . 26602 1 355 . 1 1 100 100 GLN C C 13 174.738 0.3 . 1 . . . . 101 GLN C . 26602 1 356 . 1 1 100 100 GLN CA C 13 54.195 0.3 . 1 . . . . 101 GLN CA . 26602 1 357 . 1 1 100 100 GLN CB C 13 30.047 0.3 . 1 . . . . 101 GLN CB . 26602 1 358 . 1 1 100 100 GLN N N 15 121.242 0.3 . 1 . . . . 101 GLN N . 26602 1 359 . 1 1 101 101 PHE H H 1 9.123 0.020 . 1 . . . . 102 PHE H . 26602 1 360 . 1 1 101 101 PHE C C 13 174.801 0.3 . 1 . . . . 102 PHE C . 26602 1 361 . 1 1 101 101 PHE CA C 13 56.048 0.3 . 1 . . . . 102 PHE CA . 26602 1 362 . 1 1 101 101 PHE CB C 13 38.450 0.3 . 1 . . . . 102 PHE CB . 26602 1 363 . 1 1 101 101 PHE N N 15 122.859 0.3 . 1 . . . . 102 PHE N . 26602 1 364 . 1 1 102 102 PHE H H 1 8.884 0.020 . 1 . . . . 103 PHE H . 26602 1 365 . 1 1 102 102 PHE C C 13 178.645 0.3 . 1 . . . . 103 PHE C . 26602 1 366 . 1 1 102 102 PHE CA C 13 58.225 0.3 . 1 . . . . 103 PHE CA . 26602 1 367 . 1 1 102 102 PHE CB C 13 41.324 0.3 . 1 . . . . 103 PHE CB . 26602 1 368 . 1 1 102 102 PHE N N 15 121.497 0.3 . 1 . . . . 103 PHE N . 26602 1 369 . 1 1 103 103 GLY H H 1 9.273 0.020 . 1 . . . . 104 GLY H . 26602 1 370 . 1 1 103 103 GLY C C 13 172.785 0.3 . 1 . . . . 104 GLY C . 26602 1 371 . 1 1 103 103 GLY CA C 13 43.665 0.3 . 1 . . . . 104 GLY CA . 26602 1 372 . 1 1 103 103 GLY N N 15 108.563 0.3 . 1 . . . . 104 GLY N . 26602 1 373 . 1 1 105 105 GLY H H 1 6.569 0.020 . 1 . . . . 106 GLY H . 26602 1 374 . 1 1 105 105 GLY C C 13 171.919 0.3 . 1 . . . . 106 GLY C . 26602 1 375 . 1 1 105 105 GLY CA C 13 43.901 0.3 . 1 . . . . 106 GLY CA . 26602 1 376 . 1 1 105 105 GLY N N 15 106.835 0.3 . 1 . . . . 106 GLY N . 26602 1 377 . 1 1 106 106 THR H H 1 8.271 0.020 . 1 . . . . 107 THR H . 26602 1 378 . 1 1 106 106 THR C C 13 173.935 0.3 . 1 . . . . 107 THR C . 26602 1 379 . 1 1 106 106 THR CA C 13 60.846 0.3 . 1 . . . . 107 THR CA . 26602 1 380 . 1 1 106 106 THR N N 15 118.910 0.3 . 1 . . . . 107 THR N . 26602 1 381 . 1 1 107 107 ARG H H 1 7.934 0.020 . 1 . . . . 108 ARG H . 26602 1 382 . 1 1 107 107 ARG C C 13 172.691 0.3 . 1 . . . . 108 ARG C . 26602 1 383 . 1 1 107 107 ARG CA C 13 55.989 0.3 . 1 . . . . 108 ARG CA . 26602 1 384 . 1 1 107 107 ARG CB C 13 28.499 0.3 . 1 . . . . 108 ARG CB . 26602 1 385 . 1 1 107 107 ARG N N 15 128.141 0.3 . 1 . . . . 108 ARG N . 26602 1 386 . 1 1 108 108 LEU H H 1 8.327 0.020 . 1 . . . . 109 LEU H . 26602 1 387 . 1 1 108 108 LEU C C 13 175.258 0.3 . 1 . . . . 109 LEU C . 26602 1 388 . 1 1 108 108 LEU CA C 13 52.460 0.3 . 1 . . . . 109 LEU CA . 26602 1 389 . 1 1 108 108 LEU CB C 13 44.199 0.3 . 1 . . . . 109 LEU CB . 26602 1 390 . 1 1 108 108 LEU N N 15 128.129 0.3 . 1 . . . . 109 LEU N . 26602 1 391 . 1 1 109 109 THR H H 1 8.581 0.020 . 1 . . . . 110 THR H . 26602 1 392 . 1 1 109 109 THR C C 13 171.887 0.3 . 1 . . . . 110 THR C . 26602 1 393 . 1 1 109 109 THR CA C 13 61.931 0.3 . 1 . . . . 110 THR CA . 26602 1 394 . 1 1 109 109 THR CB C 13 69.408 0.3 . 1 . . . . 110 THR CB . 26602 1 395 . 1 1 109 109 THR N N 15 124.217 0.3 . 1 . . . . 110 THR N . 26602 1 396 . 1 1 110 110 VAL H H 1 8.499 0.020 . 1 . . . . 111 VAL H . 26602 1 397 . 1 1 110 110 VAL C C 13 174.455 0.3 . 1 . . . . 111 VAL C . 26602 1 398 . 1 1 110 110 VAL CA C 13 59.960 0.3 . 1 . . . . 111 VAL CA . 26602 1 399 . 1 1 110 110 VAL CB C 13 31.005 0.3 . 1 . . . . 111 VAL CB . 26602 1 400 . 1 1 110 110 VAL N N 15 128.951 0.3 . 1 . . . . 111 VAL N . 26602 1 401 . 1 1 111 111 LEU H H 1 8.748 0.020 . 1 . . . . 112 LEU H . 26602 1 402 . 1 1 111 111 LEU C C 13 176.455 0.3 . 1 . . . . 112 LEU C . 26602 1 403 . 1 1 111 111 LEU CA C 13 52.254 0.3 . 1 . . . . 112 LEU CA . 26602 1 404 . 1 1 111 111 LEU CB C 13 44.273 0.3 . 1 . . . . 112 LEU CB . 26602 1 405 . 1 1 111 111 LEU N N 15 126.035 0.3 . 1 . . . . 112 LEU N . 26602 1 406 . 1 1 112 112 GLU H H 1 8.711 0.020 . 1 . . . . 113 GLU H . 26602 1 407 . 1 1 112 112 GLU C C 13 176.550 0.3 . 1 . . . . 113 GLU C . 26602 1 408 . 1 1 112 112 GLU CA C 13 57.901 0.3 . 1 . . . . 113 GLU CA . 26602 1 409 . 1 1 112 112 GLU CB C 13 29.015 0.3 . 1 . . . . 113 GLU CB . 26602 1 410 . 1 1 112 112 GLU N N 15 119.260 0.3 . 1 . . . . 113 GLU N . 26602 1 411 . 1 1 113 113 ASP H H 1 7.555 0.020 . 1 . . . . 114 ASP H . 26602 1 412 . 1 1 113 113 ASP C C 13 175.652 0.3 . 1 . . . . 114 ASP C . 26602 1 413 . 1 1 113 113 ASP CA C 13 52.489 0.3 . 1 . . . . 114 ASP CA . 26602 1 414 . 1 1 113 113 ASP CB C 13 42.135 0.3 . 1 . . . . 114 ASP CB . 26602 1 415 . 1 1 113 113 ASP N N 15 114.626 0.3 . 1 . . . . 114 ASP N . 26602 1 416 . 1 1 115 115 ARG H H 1 8.286 0.020 . 1 . . . . 116 ARG H . 26602 1 417 . 1 1 115 115 ARG C C 13 177.022 0.3 . 1 . . . . 116 ARG C . 26602 1 418 . 1 1 115 115 ARG CA C 13 57.960 0.3 . 1 . . . . 116 ARG CA . 26602 1 419 . 1 1 115 115 ARG CB C 13 28.499 0.3 . 1 . . . . 116 ARG CB . 26602 1 420 . 1 1 115 115 ARG N N 15 116.126 0.3 . 1 . . . . 116 ARG N . 26602 1 421 . 1 1 116 116 ASN H H 1 7.721 0.020 . 1 . . . . 117 ASN H . 26602 1 422 . 1 1 116 116 ASN C C 13 175.416 0.3 . 1 . . . . 117 ASN C . 26602 1 423 . 1 1 116 116 ASN CA C 13 53.460 0.3 . 1 . . . . 117 ASN CA . 26602 1 424 . 1 1 116 116 ASN CB C 13 38.671 0.3 . 1 . . . . 117 ASN CB . 26602 1 425 . 1 1 116 116 ASN N N 15 113.163 0.3 . 1 . . . . 117 ASN N . 26602 1 426 . 1 1 117 117 VAL H H 1 7.867 0.020 . 1 . . . . 118 VAL H . 26602 1 427 . 1 1 117 117 VAL C C 13 175.321 0.3 . 1 . . . . 118 VAL C . 26602 1 428 . 1 1 117 117 VAL CA C 13 64.019 0.3 . 1 . . . . 118 VAL CA . 26602 1 429 . 1 1 117 117 VAL CB C 13 29.826 0.3 . 1 . . . . 118 VAL CB . 26602 1 430 . 1 1 117 117 VAL N N 15 123.602 0.3 . 1 . . . . 118 VAL N . 26602 1 431 . 1 1 118 118 THR H H 1 9.417 0.020 . 1 . . . . 119 THR H . 26602 1 432 . 1 1 118 118 THR C C 13 169.950 0.3 . 1 . . . . 119 THR C . 26602 1 433 . 1 1 118 118 THR CA C 13 58.695 0.3 . 1 . . . . 119 THR CA . 26602 1 434 . 1 1 118 118 THR CB C 13 72.430 0.3 . 1 . . . . 119 THR CB . 26602 1 435 . 1 1 118 118 THR N N 15 123.715 0.3 . 1 . . . . 119 THR N . 26602 1 436 . 1 1 121 121 LYS H H 1 8.537 0.020 . 1 . . . . 122 LYS H . 26602 1 437 . 1 1 121 121 LYS C C 13 176.707 0.3 . 1 . . . . 122 LYS C . 26602 1 438 . 1 1 121 121 LYS CA C 13 55.254 0.3 . 1 . . . . 122 LYS CA . 26602 1 439 . 1 1 121 121 LYS CB C 13 31.447 0.3 . 1 . . . . 122 LYS CB . 26602 1 440 . 1 1 121 121 LYS N N 15 119.286 0.3 . 1 . . . . 122 LYS N . 26602 1 441 . 1 1 122 122 VAL H H 1 8.648 0.020 . 1 . . . . 123 VAL H . 26602 1 442 . 1 1 122 122 VAL C C 13 174.549 0.3 . 1 . . . . 123 VAL C . 26602 1 443 . 1 1 122 122 VAL CA C 13 60.901 0.3 . 1 . . . . 123 VAL CA . 26602 1 444 . 1 1 122 122 VAL CB C 13 33.143 0.3 . 1 . . . . 123 VAL CB . 26602 1 445 . 1 1 122 122 VAL N N 15 126.471 0.3 . 1 . . . . 123 VAL N . 26602 1 446 . 1 1 123 123 SER H H 1 8.849 0.020 . 1 . . . . 124 SER H . 26602 1 447 . 1 1 123 123 SER C C 13 170.013 0.3 . 1 . . . . 124 SER C . 26602 1 448 . 1 1 123 123 SER CA C 13 56.401 0.3 . 1 . . . . 124 SER CA . 26602 1 449 . 1 1 123 123 SER CB C 13 65.575 0.3 . 1 . . . . 124 SER CB . 26602 1 450 . 1 1 123 123 SER N N 15 122.451 0.3 . 1 . . . . 124 SER N . 26602 1 451 . 1 1 124 124 LEU H H 1 8.285 0.020 . 1 . . . . 125 LEU H . 26602 1 452 . 1 1 124 124 LEU C C 13 175.400 0.3 . 1 . . . . 125 LEU C . 26602 1 453 . 1 1 124 124 LEU CA C 13 52.607 0.3 . 1 . . . . 125 LEU CA . 26602 1 454 . 1 1 124 124 LEU CB C 13 44.420 0.3 . 1 . . . . 125 LEU CB . 26602 1 455 . 1 1 124 124 LEU N N 15 123.957 0.3 . 1 . . . . 125 LEU N . 26602 1 456 . 1 1 125 125 PHE H H 1 9.511 0.020 . 1 . . . . 126 PHE H . 26602 1 457 . 1 1 125 125 PHE CA C 13 55.842 0.3 . 1 . . . . 126 PHE CA . 26602 1 458 . 1 1 125 125 PHE CB C 13 39.039 0.3 . 1 . . . . 126 PHE CB . 26602 1 459 . 1 1 125 125 PHE N N 15 125.776 0.3 . 1 . . . . 126 PHE N . 26602 1 460 . 1 1 128 128 SER H H 1 8.664 0.020 . 1 . . . . 129 SER H . 26602 1 461 . 1 1 128 128 SER C C 13 175.280 0.3 . 1 . . . . 129 SER C . 26602 1 462 . 1 1 128 128 SER CA C 13 56.607 0.3 . 1 . . . . 129 SER CA . 26602 1 463 . 1 1 128 128 SER CB C 13 63.658 0.3 . 1 . . . . 129 SER CB . 26602 1 464 . 1 1 128 128 SER N N 15 118.428 0.3 . 1 . . . . 129 SER N . 26602 1 465 . 1 1 129 129 LYS H H 1 8.770 0.020 . 1 . . . . 130 LYS H . 26602 1 466 . 1 1 129 129 LYS C C 13 179.070 0.3 . 1 . . . . 130 LYS C . 26602 1 467 . 1 1 129 129 LYS CA C 13 58.901 0.3 . 1 . . . . 130 LYS CA . 26602 1 468 . 1 1 129 129 LYS CB C 13 31.005 0.3 . 1 . . . . 130 LYS CB . 26602 1 469 . 1 1 129 129 LYS N N 15 125.383 0.3 . 1 . . . . 130 LYS N . 26602 1 470 . 1 1 130 130 ALA H H 1 8.203 0.020 . 1 . . . . 131 ALA H . 26602 1 471 . 1 1 130 130 ALA C C 13 179.511 0.3 . 1 . . . . 131 ALA C . 26602 1 472 . 1 1 130 130 ALA CA C 13 53.930 0.3 . 1 . . . . 131 ALA CA . 26602 1 473 . 1 1 130 130 ALA CB C 13 17.295 0.3 . 1 . . . . 131 ALA CB . 26602 1 474 . 1 1 130 130 ALA N N 15 121.402 0.3 . 1 . . . . 131 ALA N . 26602 1 475 . 1 1 131 131 GLU H H 1 7.447 0.020 . 1 . . . . 132 GLU H . 26602 1 476 . 1 1 131 131 GLU C C 13 179.101 0.3 . 1 . . . . 132 GLU C . 26602 1 477 . 1 1 131 131 GLU CA C 13 58.283 0.3 . 1 . . . . 132 GLU CA . 26602 1 478 . 1 1 131 131 GLU CB C 13 28.720 0.3 . 1 . . . . 132 GLU CB . 26602 1 479 . 1 1 131 131 GLU N N 15 119.626 0.3 . 1 . . . . 132 GLU N . 26602 1 480 . 1 1 132 132 ILE H H 1 7.573 0.020 . 1 . . . . 133 ILE H . 26602 1 481 . 1 1 132 132 ILE C C 13 178.455 0.3 . 1 . . . . 133 ILE C . 26602 1 482 . 1 1 132 132 ILE CA C 13 63.372 0.3 . 1 . . . . 133 ILE CA . 26602 1 483 . 1 1 132 132 ILE CB C 13 36.975 0.3 . 1 . . . . 133 ILE CB . 26602 1 484 . 1 1 132 132 ILE N N 15 119.578 0.3 . 1 . . . . 133 ILE N . 26602 1 485 . 1 1 133 133 ALA H H 1 7.889 0.020 . 1 . . . . 134 ALA H . 26602 1 486 . 1 1 133 133 ALA C C 13 178.802 0.3 . 1 . . . . 134 ALA C . 26602 1 487 . 1 1 133 133 ALA CA C 13 53.842 0.3 . 1 . . . . 134 ALA CA . 26602 1 488 . 1 1 133 133 ALA CB C 13 17.442 0.3 . 1 . . . . 134 ALA CB . 26602 1 489 . 1 1 133 133 ALA N N 15 122.112 0.3 . 1 . . . . 134 ALA N . 26602 1 490 . 1 1 134 134 ASN H H 1 7.993 0.020 . 1 . . . . 135 ASN H . 26602 1 491 . 1 1 134 134 ASN C C 13 176.203 0.3 . 1 . . . . 135 ASN C . 26602 1 492 . 1 1 134 134 ASN CA C 13 53.989 0.3 . 1 . . . . 135 ASN CA . 26602 1 493 . 1 1 134 134 ASN CB C 13 38.450 0.3 . 1 . . . . 135 ASN CB . 26602 1 494 . 1 1 134 134 ASN N N 15 113.921 0.3 . 1 . . . . 135 ASN N . 26602 1 495 . 1 1 135 135 LYS H H 1 8.206 0.020 . 1 . . . . 136 LYS H . 26602 1 496 . 1 1 135 135 LYS C C 13 176.030 0.3 . 1 . . . . 136 LYS C . 26602 1 497 . 1 1 135 135 LYS CA C 13 55.225 0.3 . 1 . . . . 136 LYS CA . 26602 1 498 . 1 1 135 135 LYS CB C 13 38.376 0.3 . 1 . . . . 136 LYS CB . 26602 1 499 . 1 1 135 135 LYS N N 15 115.978 0.3 . 1 . . . . 136 LYS N . 26602 1 500 . 1 1 138 138 ALA H H 1 8.613 0.020 . 1 . . . . 139 ALA H . 26602 1 501 . 1 1 138 138 ALA C C 13 174.786 0.3 . 1 . . . . 139 ALA C . 26602 1 502 . 1 1 138 138 ALA CA C 13 49.636 0.3 . 1 . . . . 139 ALA CA . 26602 1 503 . 1 1 138 138 ALA CB C 13 20.833 0.3 . 1 . . . . 139 ALA CB . 26602 1 504 . 1 1 138 138 ALA N N 15 122.584 0.3 . 1 . . . . 139 ALA N . 26602 1 505 . 1 1 139 139 THR H H 1 8.721 0.020 . 1 . . . . 140 THR H . 26602 1 506 . 1 1 139 139 THR C C 13 174.124 0.3 . 1 . . . . 140 THR C . 26602 1 507 . 1 1 139 139 THR CA C 13 61.137 0.3 . 1 . . . . 140 THR CA . 26602 1 508 . 1 1 139 139 THR CB C 13 67.639 0.3 . 1 . . . . 140 THR CB . 26602 1 509 . 1 1 139 139 THR N N 15 120.034 0.3 . 1 . . . . 140 THR N . 26602 1 510 . 1 1 140 140 LEU H H 1 8.843 0.020 . 1 . . . . 141 LEU H . 26602 1 511 . 1 1 140 140 LEU C C 13 175.400 0.3 . 1 . . . . 141 LEU C . 26602 1 512 . 1 1 140 140 LEU CA C 13 54.548 0.3 . 1 . . . . 141 LEU CA . 26602 1 513 . 1 1 140 140 LEU CB C 13 42.651 0.3 . 1 . . . . 141 LEU CB . 26602 1 514 . 1 1 140 140 LEU N N 15 129.995 0.3 . 1 . . . . 141 LEU N . 26602 1 515 . 1 1 141 141 VAL H H 1 7.792 0.020 . 1 . . . . 142 VAL H . 26602 1 516 . 1 1 141 141 VAL C C 13 174.045 0.3 . 1 . . . . 142 VAL C . 26602 1 517 . 1 1 141 141 VAL CA C 13 60.372 0.3 . 1 . . . . 142 VAL CA . 26602 1 518 . 1 1 141 141 VAL CB C 13 33.732 0.3 . 1 . . . . 142 VAL CB . 26602 1 519 . 1 1 141 141 VAL N N 15 120.118 0.3 . 1 . . . . 142 VAL N . 26602 1 520 . 1 1 142 142 CYS H H 1 9.724 0.020 . 1 . . . . 143 CYS H . 26602 1 521 . 1 1 142 142 CYS C C 13 171.494 0.3 . 1 . . . . 143 CYS C . 26602 1 522 . 1 1 142 142 CYS CA C 13 52.342 0.3 . 1 . . . . 143 CYS CA . 26602 1 523 . 1 1 142 142 CYS CB C 13 42.725 0.3 . 1 . . . . 143 CYS CB . 26602 1 524 . 1 1 142 142 CYS N N 15 127.558 0.3 . 1 . . . . 143 CYS N . 26602 1 525 . 1 1 143 143 LEU H H 1 8.947 0.020 . 1 . . . . 144 LEU H . 26602 1 526 . 1 1 143 143 LEU C C 13 173.872 0.3 . 1 . . . . 144 LEU C . 26602 1 527 . 1 1 143 143 LEU CA C 13 52.989 0.3 . 1 . . . . 144 LEU CA . 26602 1 528 . 1 1 143 143 LEU CB C 13 44.862 0.3 . 1 . . . . 144 LEU CB . 26602 1 529 . 1 1 143 143 LEU N N 15 128.018 0.3 . 1 . . . . 144 LEU N . 26602 1 530 . 1 1 144 144 ALA H H 1 9.231 0.020 . 1 . . . . 145 ALA H . 26602 1 531 . 1 1 144 144 ALA C C 13 175.542 0.3 . 1 . . . . 145 ALA C . 26602 1 532 . 1 1 144 144 ALA CA C 13 48.607 0.3 . 1 . . . . 145 ALA CA . 26602 1 533 . 1 1 144 144 ALA CB C 13 20.022 0.3 . 1 . . . . 145 ALA CB . 26602 1 534 . 1 1 144 144 ALA N N 15 129.703 0.3 . 1 . . . . 145 ALA N . 26602 1 535 . 1 1 145 145 ARG H H 1 9.150 0.020 . 1 . . . . 146 ARG H . 26602 1 536 . 1 1 145 145 ARG C C 13 176.061 0.3 . 1 . . . . 146 ARG C . 26602 1 537 . 1 1 145 145 ARG CA C 13 54.754 0.3 . 1 . . . . 146 ARG CA . 26602 1 538 . 1 1 145 145 ARG CB C 13 32.553 0.3 . 1 . . . . 146 ARG CB . 26602 1 539 . 1 1 145 145 ARG N N 15 119.901 0.3 . 1 . . . . 146 ARG N . 26602 1 540 . 1 1 146 146 GLY H H 1 8.050 0.020 . 1 . . . . 147 GLY H . 26602 1 541 . 1 1 146 146 GLY C C 13 174.124 0.3 . 1 . . . . 147 GLY C . 26602 1 542 . 1 1 146 146 GLY CA C 13 45.842 0.3 . 1 . . . . 147 GLY CA . 26602 1 543 . 1 1 146 146 GLY N N 15 110.443 0.3 . 1 . . . . 147 GLY N . 26602 1 544 . 1 1 147 147 PHE H H 1 7.330 0.020 . 1 . . . . 148 PHE H . 26602 1 545 . 1 1 147 147 PHE C C 13 174.171 0.3 . 1 . . . . 148 PHE C . 26602 1 546 . 1 1 147 147 PHE CA C 13 53.019 0.3 . 1 . . . . 148 PHE CA . 26602 1 547 . 1 1 147 147 PHE CB C 13 40.882 0.3 . 1 . . . . 148 PHE CB . 26602 1 548 . 1 1 147 147 PHE N N 15 112.555 0.3 . 1 . . . . 148 PHE N . 26602 1 549 . 1 1 148 148 PHE H H 1 9.203 0.020 . 1 . . . . 149 PHE H . 26602 1 550 . 1 1 148 148 PHE C C 13 174.596 0.3 . 1 . . . . 149 PHE C . 26602 1 551 . 1 1 148 148 PHE CA C 13 57.960 0.3 . 1 . . . . 149 PHE CA . 26602 1 552 . 1 1 148 148 PHE CB C 13 41.840 0.3 . 1 . . . . 149 PHE CB . 26602 1 553 . 1 1 148 148 PHE N N 15 120.588 0.3 . 1 . . . . 149 PHE N . 26602 1 554 . 1 1 150 150 ASP H H 1 8.124 0.020 . 1 . . . . 151 ASP H . 26602 1 555 . 1 1 150 150 ASP C C 13 175.447 0.3 . 1 . . . . 151 ASP C . 26602 1 556 . 1 1 150 150 ASP CA C 13 53.136 0.3 . 1 . . . . 151 ASP CA . 26602 1 557 . 1 1 150 150 ASP CB C 13 36.091 0.3 . 1 . . . . 151 ASP CB . 26602 1 558 . 1 1 150 150 ASP N N 15 115.267 0.3 . 1 . . . . 151 ASP N . 26602 1 559 . 1 1 151 151 HIS H H 1 7.540 0.020 . 1 . . . . 152 HIS H . 26602 1 560 . 1 1 151 151 HIS C C 13 173.352 0.3 . 1 . . . . 152 HIS C . 26602 1 561 . 1 1 151 151 HIS CA C 13 52.313 0.3 . 1 . . . . 152 HIS CA . 26602 1 562 . 1 1 151 151 HIS CB C 13 36.091 0.3 . 1 . . . . 152 HIS CB . 26602 1 563 . 1 1 151 151 HIS N N 15 122.796 0.3 . 1 . . . . 152 HIS N . 26602 1 564 . 1 1 152 152 VAL H H 1 7.300 0.020 . 1 . . . . 153 VAL H . 26602 1 565 . 1 1 152 152 VAL C C 13 175.494 0.3 . 1 . . . . 153 VAL C . 26602 1 566 . 1 1 152 152 VAL CA C 13 57.489 0.3 . 1 . . . . 153 VAL CA . 26602 1 567 . 1 1 152 152 VAL CB C 13 35.206 0.3 . 1 . . . . 153 VAL CB . 26602 1 568 . 1 1 152 152 VAL N N 15 113.317 0.3 . 1 . . . . 153 VAL N . 26602 1 569 . 1 1 153 153 GLU H H 1 8.158 0.020 . 1 . . . . 154 GLU H . 26602 1 570 . 1 1 153 153 GLU C C 13 174.455 0.3 . 1 . . . . 154 GLU C . 26602 1 571 . 1 1 153 153 GLU CA C 13 55.019 0.3 . 1 . . . . 154 GLU CA . 26602 1 572 . 1 1 153 153 GLU CB C 13 32.332 0.3 . 1 . . . . 154 GLU CB . 26602 1 573 . 1 1 153 153 GLU N N 15 119.291 0.3 . 1 . . . . 154 GLU N . 26602 1 574 . 1 1 154 154 LEU H H 1 9.202 0.020 . 1 . . . . 155 LEU H . 26602 1 575 . 1 1 154 154 LEU C C 13 175.636 0.3 . 1 . . . . 155 LEU C . 26602 1 576 . 1 1 154 154 LEU CA C 13 54.460 0.3 . 1 . . . . 155 LEU CA . 26602 1 577 . 1 1 154 154 LEU CB C 13 44.420 0.3 . 1 . . . . 155 LEU CB . 26602 1 578 . 1 1 154 154 LEU N N 15 130.964 0.3 . 1 . . . . 155 LEU N . 26602 1 579 . 1 1 155 155 SER H H 1 9.699 0.020 . 1 . . . . 156 SER H . 26602 1 580 . 1 1 155 155 SER C C 13 171.383 0.3 . 1 . . . . 156 SER C . 26602 1 581 . 1 1 155 155 SER CA C 13 56.313 0.3 . 1 . . . . 156 SER CA . 26602 1 582 . 1 1 155 155 SER CB C 13 66.091 0.3 . 1 . . . . 156 SER CB . 26602 1 583 . 1 1 155 155 SER N N 15 122.272 0.3 . 1 . . . . 156 SER N . 26602 1 584 . 1 1 156 156 TRP H H 1 8.806 0.020 . 1 . . . . 157 TRP H . 26602 1 585 . 1 1 156 156 TRP C C 13 175.227 0.3 . 1 . . . . 157 TRP C . 26602 1 586 . 1 1 156 156 TRP CA C 13 55.930 0.3 . 1 . . . . 157 TRP CA . 26602 1 587 . 1 1 156 156 TRP CB C 13 32.258 0.3 . 1 . . . . 157 TRP CB . 26602 1 588 . 1 1 156 156 TRP N N 15 120.760 0.3 . 1 . . . . 157 TRP N . 26602 1 589 . 1 1 157 157 TRP H H 1 9.372 0.020 . 1 . . . . 158 TRP H . 26602 1 590 . 1 1 157 157 TRP C C 13 176.770 0.3 . 1 . . . . 158 TRP C . 26602 1 591 . 1 1 157 157 TRP CA C 13 54.813 0.3 . 1 . . . . 158 TRP CA . 26602 1 592 . 1 1 157 157 TRP CB C 13 29.531 0.3 . 1 . . . . 158 TRP CB . 26602 1 593 . 1 1 157 157 TRP N N 15 121.085 0.3 . 1 . . . . 158 TRP N . 26602 1 594 . 1 1 158 158 VAL H H 1 9.200 0.020 . 1 . . . . 159 VAL H . 26602 1 595 . 1 1 158 158 VAL C C 13 176.518 0.3 . 1 . . . . 159 VAL C . 26602 1 596 . 1 1 158 158 VAL CA C 13 59.872 0.3 . 1 . . . . 159 VAL CA . 26602 1 597 . 1 1 158 158 VAL CB C 13 32.332 0.3 . 1 . . . . 159 VAL CB . 26602 1 598 . 1 1 158 158 VAL N N 15 126.988 0.3 . 1 . . . . 159 VAL N . 26602 1 599 . 1 1 159 159 ASN H H 1 9.718 0.020 . 1 . . . . 160 ASN H . 26602 1 600 . 1 1 159 159 ASN C C 13 175.857 0.3 . 1 . . . . 160 ASN C . 26602 1 601 . 1 1 159 159 ASN CA C 13 54.195 0.3 . 1 . . . . 160 ASN CA . 26602 1 602 . 1 1 159 159 ASN CB C 13 36.165 0.3 . 1 . . . . 160 ASN CB . 26602 1 603 . 1 1 159 159 ASN N N 15 128.903 0.3 . 1 . . . . 160 ASN N . 26602 1 604 . 1 1 160 160 GLY H H 1 8.897 0.020 . 1 . . . . 161 GLY H . 26602 1 605 . 1 1 160 160 GLY C C 13 173.667 0.3 . 1 . . . . 161 GLY C . 26602 1 606 . 1 1 160 160 GLY CA C 13 45.018 0.3 . 1 . . . . 161 GLY CA . 26602 1 607 . 1 1 160 160 GLY N N 15 102.478 0.3 . 1 . . . . 161 GLY N . 26602 1 608 . 1 1 161 161 LYS H H 1 7.727 0.020 . 1 . . . . 162 LYS H . 26602 1 609 . 1 1 161 161 LYS C C 13 174.187 0.3 . 1 . . . . 162 LYS C . 26602 1 610 . 1 1 161 161 LYS CA C 13 53.813 0.3 . 1 . . . . 162 LYS CA . 26602 1 611 . 1 1 161 161 LYS CB C 13 34.027 0.3 . 1 . . . . 162 LYS CB . 26602 1 612 . 1 1 161 161 LYS N N 15 121.195 0.3 . 1 . . . . 162 LYS N . 26602 1 613 . 1 1 162 162 GLU H H 1 8.064 0.020 . 1 . . . . 163 GLU H . 26602 1 614 . 1 1 162 162 GLU C C 13 176.817 0.3 . 1 . . . . 163 GLU C . 26602 1 615 . 1 1 162 162 GLU CA C 13 55.754 0.3 . 1 . . . . 163 GLU CA . 26602 1 616 . 1 1 162 162 GLU CB C 13 27.393 0.3 . 1 . . . . 163 GLU CB . 26602 1 617 . 1 1 162 162 GLU N N 15 127.860 0.3 . 1 . . . . 163 GLU N . 26602 1 618 . 1 1 163 163 VAL H H 1 7.978 0.020 . 1 . . . . 164 VAL H . 26602 1 619 . 1 1 163 163 VAL C C 13 173.714 0.3 . 1 . . . . 164 VAL C . 26602 1 620 . 1 1 163 163 VAL CA C 13 59.754 0.3 . 1 . . . . 164 VAL CA . 26602 1 621 . 1 1 163 163 VAL CB C 13 33.732 0.3 . 1 . . . . 164 VAL CB . 26602 1 622 . 1 1 163 163 VAL N N 15 122.849 0.3 . 1 . . . . 164 VAL N . 26602 1 623 . 1 1 165 165 SER H H 1 8.231 0.020 . 1 . . . . 166 SER H . 26602 1 624 . 1 1 165 165 SER C C 13 176.318 0.3 . 1 . . . . 166 SER C . 26602 1 625 . 1 1 165 165 SER CA C 13 56.372 0.3 . 1 . . . . 166 SER CA . 26602 1 626 . 1 1 165 165 SER N N 15 120.505 0.3 . 1 . . . . 166 SER N . 26602 1 627 . 1 1 166 166 GLY H H 1 8.139 0.020 . 1 . . . . 167 GLY H . 26602 1 628 . 1 1 166 166 GLY CA C 13 44.665 0.3 . 1 . . . . 167 GLY CA . 26602 1 629 . 1 1 166 166 GLY N N 15 108.152 0.3 . 1 . . . . 167 GLY N . 26602 1 630 . 1 1 167 167 VAL H H 1 7.189 0.020 . 1 . . . . 168 VAL H . 26602 1 631 . 1 1 167 167 VAL C C 13 176.849 0.3 . 1 . . . . 168 VAL C . 26602 1 632 . 1 1 167 167 VAL CA C 13 60.989 0.3 . 1 . . . . 168 VAL CA . 26602 1 633 . 1 1 167 167 VAL CB C 13 32.553 0.3 . 1 . . . . 168 VAL CB . 26602 1 634 . 1 1 167 167 VAL N N 15 121.216 0.3 . 1 . . . . 168 VAL N . 26602 1 635 . 1 1 168 168 SER H H 1 9.049 0.020 . 1 . . . . 169 SER H . 26602 1 636 . 1 1 168 168 SER C C 13 173.305 0.3 . 1 . . . . 169 SER C . 26602 1 637 . 1 1 168 168 SER CA C 13 55.982 0.3 . 1 . . . . 169 SER CA . 26602 1 638 . 1 1 168 168 SER CB C 13 63.374 0.3 . 1 . . . . 169 SER CB . 26602 1 639 . 1 1 168 168 SER N N 15 123.628 0.3 . 1 . . . . 169 SER N . 26602 1 640 . 1 1 169 169 THR H H 1 9.193 0.020 . 1 . . . . 170 THR H . 26602 1 641 . 1 1 169 169 THR C C 13 173.588 0.3 . 1 . . . . 170 THR C . 26602 1 642 . 1 1 169 169 THR CA C 13 60.578 0.3 . 1 . . . . 170 THR CA . 26602 1 643 . 1 1 169 169 THR CB C 13 69.260 0.3 . 1 . . . . 170 THR CB . 26602 1 644 . 1 1 169 169 THR N N 15 127.679 0.3 . 1 . . . . 170 THR N . 26602 1 645 . 1 1 170 170 ASP H H 1 8.478 0.020 . 1 . . . . 171 ASP H . 26602 1 646 . 1 1 170 170 ASP C C 13 174.423 0.3 . 1 . . . . 171 ASP C . 26602 1 647 . 1 1 170 170 ASP CA C 13 53.430 0.3 . 1 . . . . 171 ASP CA . 26602 1 648 . 1 1 170 170 ASP CB C 13 39.555 0.3 . 1 . . . . 171 ASP CB . 26602 1 649 . 1 1 170 170 ASP N N 15 130.302 0.3 . 1 . . . . 171 ASP N . 26602 1 650 . 1 1 172 172 GLN H H 1 7.241 0.020 . 1 . . . . 173 GLN H . 26602 1 651 . 1 1 172 172 GLN C C 13 174.077 0.3 . 1 . . . . 173 GLN C . 26602 1 652 . 1 1 172 172 GLN CA C 13 53.371 0.3 . 1 . . . . 173 GLN CA . 26602 1 653 . 1 1 172 172 GLN CB C 13 31.005 0.3 . 1 . . . . 173 GLN CB . 26602 1 654 . 1 1 172 172 GLN N N 15 112.874 0.3 . 1 . . . . 173 GLN N . 26602 1 655 . 1 1 173 173 ALA H H 1 8.920 0.020 . 1 . . . . 174 ALA H . 26602 1 656 . 1 1 173 173 ALA C C 13 176.534 0.3 . 1 . . . . 174 ALA C . 26602 1 657 . 1 1 173 173 ALA CA C 13 51.666 0.3 . 1 . . . . 174 ALA CA . 26602 1 658 . 1 1 173 173 ALA CB C 13 18.622 0.3 . 1 . . . . 174 ALA CB . 26602 1 659 . 1 1 173 173 ALA N N 15 125.250 0.3 . 1 . . . . 174 ALA N . 26602 1 660 . 1 1 174 174 TYR H H 1 9.295 0.020 . 1 . . . . 175 TYR H . 26602 1 661 . 1 1 174 174 TYR C C 13 174.644 0.3 . 1 . . . . 175 TYR C . 26602 1 662 . 1 1 174 174 TYR CA C 13 55.960 0.3 . 1 . . . . 175 TYR CA . 26602 1 663 . 1 1 174 174 TYR CB C 13 39.334 0.3 . 1 . . . . 175 TYR CB . 26602 1 664 . 1 1 174 174 TYR N N 15 124.212 0.3 . 1 . . . . 175 TYR N . 26602 1 665 . 1 1 175 175 LYS H H 1 8.341 0.020 . 1 . . . . 176 LYS H . 26602 1 666 . 1 1 175 175 LYS C C 13 175.290 0.3 . 1 . . . . 176 LYS C . 26602 1 667 . 1 1 175 175 LYS CA C 13 55.901 0.3 . 1 . . . . 176 LYS CA . 26602 1 668 . 1 1 175 175 LYS CB C 13 30.710 0.3 . 1 . . . . 176 LYS CB . 26602 1 669 . 1 1 175 175 LYS N N 15 127.191 0.3 . 1 . . . . 176 LYS N . 26602 1 670 . 1 1 176 176 GLU H H 1 8.262 0.020 . 1 . . . . 177 GLU H . 26602 1 671 . 1 1 176 176 GLU C C 13 176.361 0.3 . 1 . . . . 177 GLU C . 26602 1 672 . 1 1 176 176 GLU CA C 13 56.901 0.3 . 1 . . . . 177 GLU CA . 26602 1 673 . 1 1 176 176 GLU CB C 13 29.899 0.3 . 1 . . . . 177 GLU CB . 26602 1 674 . 1 1 176 176 GLU N N 15 128.160 0.3 . 1 . . . . 177 GLU N . 26602 1 675 . 1 1 177 177 SER H H 1 7.957 0.020 . 1 . . . . 178 SER H . 26602 1 676 . 1 1 177 177 SER C C 13 173.683 0.3 . 1 . . . . 178 SER C . 26602 1 677 . 1 1 177 177 SER CA C 13 56.607 0.3 . 1 . . . . 178 SER CA . 26602 1 678 . 1 1 177 177 SER CB C 13 62.700 0.3 . 1 . . . . 178 SER CB . 26602 1 679 . 1 1 177 177 SER N N 15 112.261 0.3 . 1 . . . . 178 SER N . 26602 1 680 . 1 1 179 179 TYR H H 1 7.701 0.020 . 1 . . . . 180 TYR H . 26602 1 681 . 1 1 179 179 TYR C C 13 173.856 0.3 . 1 . . . . 180 TYR C . 26602 1 682 . 1 1 179 179 TYR CA C 13 54.342 0.3 . 1 . . . . 180 TYR CA . 26602 1 683 . 1 1 179 179 TYR CB C 13 36.975 0.3 . 1 . . . . 180 TYR CB . 26602 1 684 . 1 1 179 179 TYR N N 15 113.057 0.3 . 1 . . . . 180 TYR N . 26602 1 685 . 1 1 180 180 SER H H 1 6.682 0.020 . 1 . . . . 181 SER H . 26602 1 686 . 1 1 180 180 SER C C 13 172.234 0.3 . 1 . . . . 181 SER C . 26602 1 687 . 1 1 180 180 SER CA C 13 58.136 0.3 . 1 . . . . 181 SER CA . 26602 1 688 . 1 1 180 180 SER CB C 13 63.953 0.3 . 1 . . . . 181 SER CB . 26602 1 689 . 1 1 180 180 SER N N 15 111.842 0.3 . 1 . . . . 181 SER N . 26602 1 690 . 1 1 181 181 TYR H H 1 8.603 0.020 . 1 . . . . 182 TYR H . 26602 1 691 . 1 1 181 181 TYR C C 13 174.014 0.3 . 1 . . . . 182 TYR C . 26602 1 692 . 1 1 181 181 TYR CA C 13 56.548 0.3 . 1 . . . . 182 TYR CA . 26602 1 693 . 1 1 181 181 TYR CB C 13 42.135 0.3 . 1 . . . . 182 TYR CB . 26602 1 694 . 1 1 181 181 TYR N N 15 125.929 0.3 . 1 . . . . 182 TYR N . 26602 1 695 . 1 1 182 182 SER H H 1 8.966 0.020 . 1 . . . . 183 SER H . 26602 1 696 . 1 1 182 182 SER C C 13 172.691 0.3 . 1 . . . . 183 SER C . 26602 1 697 . 1 1 182 182 SER CA C 13 56.313 0.3 . 1 . . . . 183 SER CA . 26602 1 698 . 1 1 182 182 SER CB C 13 66.459 0.3 . 1 . . . . 183 SER CB . 26602 1 699 . 1 1 182 182 SER N N 15 111.181 0.3 . 1 . . . . 183 SER N . 26602 1 700 . 1 1 183 183 LEU H H 1 9.407 0.020 . 1 . . . . 184 LEU H . 26602 1 701 . 1 1 183 183 LEU C C 13 173.604 0.3 . 1 . . . . 184 LEU C . 26602 1 702 . 1 1 183 183 LEU CA C 13 55.372 0.3 . 1 . . . . 184 LEU CA . 26602 1 703 . 1 1 183 183 LEU CB C 13 46.779 0.3 . 1 . . . . 184 LEU CB . 26602 1 704 . 1 1 183 183 LEU N N 15 123.667 0.3 . 1 . . . . 184 LEU N . 26602 1 705 . 1 1 184 184 SER H H 1 8.487 0.020 . 1 . . . . 185 SER H . 26602 1 706 . 1 1 184 184 SER C C 13 172.549 0.3 . 1 . . . . 185 SER C . 26602 1 707 . 1 1 184 184 SER CA C 13 55.960 0.3 . 1 . . . . 185 SER CA . 26602 1 708 . 1 1 184 184 SER CB C 13 67.491 0.3 . 1 . . . . 185 SER CB . 26602 1 709 . 1 1 184 184 SER N N 15 121.089 0.3 . 1 . . . . 185 SER N . 26602 1 710 . 1 1 185 185 SER H H 1 8.851 0.020 . 1 . . . . 186 SER H . 26602 1 711 . 1 1 185 185 SER C C 13 172.556 0.3 . 1 . . . . 186 SER C . 26602 1 712 . 1 1 185 185 SER CA C 13 56.077 0.3 . 1 . . . . 186 SER CA . 26602 1 713 . 1 1 185 185 SER CB C 13 63.953 0.3 . 1 . . . . 186 SER CB . 26602 1 714 . 1 1 185 185 SER N N 15 113.272 0.3 . 1 . . . . 186 SER N . 26602 1 715 . 1 1 186 186 ARG H H 1 8.618 0.020 . 1 . . . . 187 ARG H . 26602 1 716 . 1 1 186 186 ARG C C 13 173.384 0.3 . 1 . . . . 187 ARG C . 26602 1 717 . 1 1 186 186 ARG CA C 13 54.048 0.3 . 1 . . . . 187 ARG CA . 26602 1 718 . 1 1 186 186 ARG CB C 13 31.963 0.3 . 1 . . . . 187 ARG CB . 26602 1 719 . 1 1 186 186 ARG N N 15 127.631 0.3 . 1 . . . . 187 ARG N . 26602 1 720 . 1 1 187 187 LEU H H 1 8.187 0.020 . 1 . . . . 188 LEU H . 26602 1 721 . 1 1 187 187 LEU C C 13 173.525 0.3 . 1 . . . . 188 LEU C . 26602 1 722 . 1 1 187 187 LEU CA C 13 52.401 0.3 . 1 . . . . 188 LEU CA . 26602 1 723 . 1 1 187 187 LEU CB C 13 39.924 0.3 . 1 . . . . 188 LEU CB . 26602 1 724 . 1 1 187 187 LEU N N 15 124.010 0.3 . 1 . . . . 188 LEU N . 26602 1 725 . 1 1 188 188 ARG H H 1 8.239 0.020 . 1 . . . . 189 ARG H . 26602 1 726 . 1 1 188 188 ARG C C 13 175.794 0.3 . 1 . . . . 189 ARG C . 26602 1 727 . 1 1 188 188 ARG CA C 13 53.989 0.3 . 1 . . . . 189 ARG CA . 26602 1 728 . 1 1 188 188 ARG CB C 13 30.563 0.3 . 1 . . . . 189 ARG CB . 26602 1 729 . 1 1 188 188 ARG N N 15 127.503 0.3 . 1 . . . . 189 ARG N . 26602 1 730 . 1 1 189 189 VAL H H 1 8.687 0.020 . 1 . . . . 190 VAL H . 26602 1 731 . 1 1 189 189 VAL C C 13 174.628 0.3 . 1 . . . . 190 VAL C . 26602 1 732 . 1 1 189 189 VAL CA C 13 57.754 0.3 . 1 . . . . 190 VAL CA . 26602 1 733 . 1 1 189 189 VAL CB C 13 34.912 0.3 . 1 . . . . 190 VAL CB . 26602 1 734 . 1 1 189 189 VAL N N 15 119.329 0.3 . 1 . . . . 190 VAL N . 26602 1 735 . 1 1 190 190 SER H H 1 8.651 0.020 . 1 . . . . 191 SER H . 26602 1 736 . 1 1 190 190 SER C C 13 175.542 0.3 . 1 . . . . 191 SER C . 26602 1 737 . 1 1 190 190 SER CA C 13 57.931 0.3 . 1 . . . . 191 SER CA . 26602 1 738 . 1 1 190 190 SER CB C 13 63.069 0.3 . 1 . . . . 191 SER CB . 26602 1 739 . 1 1 190 190 SER N N 15 116.569 0.3 . 1 . . . . 191 SER N . 26602 1 740 . 1 1 191 191 ALA H H 1 8.262 0.020 . 1 . . . . 192 ALA H . 26602 1 741 . 1 1 191 191 ALA C C 13 178.503 0.3 . 1 . . . . 192 ALA C . 26602 1 742 . 1 1 191 191 ALA CA C 13 55.372 0.3 . 1 . . . . 192 ALA CA . 26602 1 743 . 1 1 191 191 ALA CB C 13 16.926 0.3 . 1 . . . . 192 ALA CB . 26602 1 744 . 1 1 191 191 ALA N N 15 126.359 0.3 . 1 . . . . 192 ALA N . 26602 1 745 . 1 1 192 192 THR H H 1 7.955 0.020 . 1 . . . . 193 THR H . 26602 1 746 . 1 1 192 192 THR C C 13 175.573 0.3 . 1 . . . . 193 THR C . 26602 1 747 . 1 1 192 192 THR CA C 13 64.578 0.3 . 1 . . . . 193 THR CA . 26602 1 748 . 1 1 192 192 THR CB C 13 68.155 0.3 . 1 . . . . 193 THR CB . 26602 1 749 . 1 1 192 192 THR N N 15 108.640 0.3 . 1 . . . . 193 THR N . 26602 1 750 . 1 1 193 193 PHE H H 1 7.653 0.020 . 1 . . . . 194 PHE H . 26602 1 751 . 1 1 193 193 PHE C C 13 178.235 0.3 . 1 . . . . 194 PHE C . 26602 1 752 . 1 1 193 193 PHE CA C 13 60.725 0.3 . 1 . . . . 194 PHE CA . 26602 1 753 . 1 1 193 193 PHE CB C 13 39.850 0.3 . 1 . . . . 194 PHE CB . 26602 1 754 . 1 1 193 193 PHE N N 15 124.784 0.3 . 1 . . . . 194 PHE N . 26602 1 755 . 1 1 194 194 TRP H H 1 7.745 0.020 . 1 . . . . 195 TRP H . 26602 1 756 . 1 1 194 194 TRP C C 13 173.935 0.3 . 1 . . . . 195 TRP C . 26602 1 757 . 1 1 194 194 TRP CA C 13 58.313 0.3 . 1 . . . . 195 TRP CA . 26602 1 758 . 1 1 194 194 TRP CB C 13 29.236 0.3 . 1 . . . . 195 TRP CB . 26602 1 759 . 1 1 194 194 TRP N N 15 119.323 0.3 . 1 . . . . 195 TRP N . 26602 1 760 . 1 1 195 195 HIS H H 1 7.555 0.020 . 1 . . . . 196 HIS H . 26602 1 761 . 1 1 195 195 HIS C C 13 174.108 0.3 . 1 . . . . 196 HIS C . 26602 1 762 . 1 1 195 195 HIS CA C 13 53.783 0.3 . 1 . . . . 196 HIS CA . 26602 1 763 . 1 1 195 195 HIS CB C 13 27.688 0.3 . 1 . . . . 196 HIS CB . 26602 1 764 . 1 1 195 195 HIS N N 15 111.695 0.3 . 1 . . . . 196 HIS N . 26602 1 765 . 1 1 196 196 ASN H H 1 6.871 0.020 . 1 . . . . 197 ASN H . 26602 1 766 . 1 1 196 196 ASN C C 13 174.203 0.3 . 1 . . . . 197 ASN C . 26602 1 767 . 1 1 196 196 ASN CA C 13 49.048 0.3 . 1 . . . . 197 ASN CA . 26602 1 768 . 1 1 196 196 ASN CB C 13 38.155 0.3 . 1 . . . . 197 ASN CB . 26602 1 769 . 1 1 196 196 ASN N N 15 118.463 0.3 . 1 . . . . 197 ASN N . 26602 1 770 . 1 1 198 198 ARG H H 1 7.609 0.020 . 1 . . . . 199 ARG H . 26602 1 771 . 1 1 198 198 ARG C C 13 176.928 0.3 . 1 . . . . 199 ARG C . 26602 1 772 . 1 1 198 198 ARG CA C 13 55.401 0.3 . 1 . . . . 199 ARG CA . 26602 1 773 . 1 1 198 198 ARG CB C 13 28.720 0.3 . 1 . . . . 199 ARG CB . 26602 1 774 . 1 1 198 198 ARG N N 15 115.157 0.3 . 1 . . . . 199 ARG N . 26602 1 775 . 1 1 199 199 ASN H H 1 7.650 0.020 . 1 . . . . 200 ASN H . 26602 1 776 . 1 1 199 199 ASN C C 13 172.076 0.3 . 1 . . . . 200 ASN C . 26602 1 777 . 1 1 199 199 ASN CA C 13 51.901 0.3 . 1 . . . . 200 ASN CA . 26602 1 778 . 1 1 199 199 ASN CB C 13 37.786 0.3 . 1 . . . . 200 ASN CB . 26602 1 779 . 1 1 199 199 ASN N N 15 118.078 0.3 . 1 . . . . 200 ASN N . 26602 1 780 . 1 1 200 200 HIS H H 1 8.190 0.020 . 1 . . . . 201 HIS H . 26602 1 781 . 1 1 200 200 HIS C C 13 173.037 0.3 . 1 . . . . 201 HIS C . 26602 1 782 . 1 1 200 200 HIS CA C 13 55.048 0.3 . 1 . . . . 201 HIS CA . 26602 1 783 . 1 1 200 200 HIS CB C 13 33.880 0.3 . 1 . . . . 201 HIS CB . 26602 1 784 . 1 1 200 200 HIS N N 15 122.637 0.3 . 1 . . . . 201 HIS N . 26602 1 785 . 1 1 201 201 PHE H H 1 8.437 0.020 . 1 . . . . 202 PHE H . 26602 1 786 . 1 1 201 201 PHE C C 13 173.620 0.3 . 1 . . . . 202 PHE C . 26602 1 787 . 1 1 201 201 PHE CA C 13 55.754 0.3 . 1 . . . . 202 PHE CA . 26602 1 788 . 1 1 201 201 PHE CB C 13 41.251 0.3 . 1 . . . . 202 PHE CB . 26602 1 789 . 1 1 201 201 PHE N N 15 124.535 0.3 . 1 . . . . 202 PHE N . 26602 1 790 . 1 1 202 202 ARG H H 1 9.138 0.020 . 1 . . . . 203 ARG H . 26602 1 791 . 1 1 202 202 ARG C C 13 173.415 0.3 . 1 . . . . 203 ARG C . 26602 1 792 . 1 1 202 202 ARG CA C 13 54.195 0.3 . 1 . . . . 203 ARG CA . 26602 1 793 . 1 1 202 202 ARG CB C 13 34.322 0.3 . 1 . . . . 203 ARG CB . 26602 1 794 . 1 1 202 202 ARG N N 15 121.624 0.3 . 1 . . . . 203 ARG N . 26602 1 795 . 1 1 203 203 CYS H H 1 8.801 0.020 . 1 . . . . 204 CYS H . 26602 1 796 . 1 1 203 203 CYS C C 13 171.572 0.3 . 1 . . . . 204 CYS C . 26602 1 797 . 1 1 203 203 CYS CA C 13 51.901 0.3 . 1 . . . . 204 CYS CA . 26602 1 798 . 1 1 203 203 CYS CB C 13 42.430 0.3 . 1 . . . . 204 CYS CB . 26602 1 799 . 1 1 203 203 CYS N N 15 127.413 0.3 . 1 . . . . 204 CYS N . 26602 1 800 . 1 1 204 204 GLN H H 1 9.216 0.020 . 1 . . . . 205 GLN H . 26602 1 801 . 1 1 204 204 GLN C C 13 173.510 0.3 . 1 . . . . 205 GLN C . 26602 1 802 . 1 1 204 204 GLN CA C 13 53.695 0.3 . 1 . . . . 205 GLN CA . 26602 1 803 . 1 1 204 204 GLN CB C 13 32.111 0.3 . 1 . . . . 205 GLN CB . 26602 1 804 . 1 1 204 204 GLN N N 15 127.812 0.3 . 1 . . . . 205 GLN N . 26602 1 805 . 1 1 205 205 VAL H H 1 9.120 0.020 . 1 . . . . 206 VAL H . 26602 1 806 . 1 1 205 205 VAL C C 13 174.313 0.3 . 1 . . . . 206 VAL C . 26602 1 807 . 1 1 205 205 VAL CA C 13 60.136 0.3 . 1 . . . . 206 VAL CA . 26602 1 808 . 1 1 205 205 VAL CB C 13 31.595 0.3 . 1 . . . . 206 VAL CB . 26602 1 809 . 1 1 205 205 VAL N N 15 127.449 0.3 . 1 . . . . 206 VAL N . 26602 1 810 . 1 1 206 206 GLN H H 1 8.848 0.020 . 1 . . . . 207 GLN H . 26602 1 811 . 1 1 206 206 GLN C C 13 173.557 0.3 . 1 . . . . 207 GLN C . 26602 1 812 . 1 1 206 206 GLN CA C 13 54.430 0.3 . 1 . . . . 207 GLN CA . 26602 1 813 . 1 1 206 206 GLN CB C 13 29.089 0.3 . 1 . . . . 207 GLN CB . 26602 1 814 . 1 1 206 206 GLN N N 15 128.569 0.3 . 1 . . . . 207 GLN N . 26602 1 815 . 1 1 207 207 PHE H H 1 8.796 0.020 . 1 . . . . 208 PHE H . 26602 1 816 . 1 1 207 207 PHE C C 13 172.596 0.3 . 1 . . . . 208 PHE C . 26602 1 817 . 1 1 207 207 PHE CA C 13 55.019 0.3 . 1 . . . . 208 PHE CA . 26602 1 818 . 1 1 207 207 PHE CB C 13 40.808 0.3 . 1 . . . . 208 PHE CB . 26602 1 819 . 1 1 207 207 PHE N N 15 128.129 0.3 . 1 . . . . 208 PHE N . 26602 1 820 . 1 1 208 208 HIS H H 1 7.712 0.020 . 1 . . . . 209 HIS H . 26602 1 821 . 1 1 208 208 HIS C C 13 174.045 0.3 . 1 . . . . 209 HIS C . 26602 1 822 . 1 1 208 208 HIS CA C 13 55.136 0.3 . 1 . . . . 209 HIS CA . 26602 1 823 . 1 1 208 208 HIS CB C 13 29.015 0.3 . 1 . . . . 209 HIS CB . 26602 1 824 . 1 1 208 208 HIS N N 15 127.578 0.3 . 1 . . . . 209 HIS N . 26602 1 825 . 1 1 209 209 GLY H H 1 7.693 0.020 . 1 . . . . 210 GLY H . 26602 1 826 . 1 1 209 209 GLY C C 13 173.604 0.3 . 1 . . . . 210 GLY C . 26602 1 827 . 1 1 209 209 GLY CA C 13 42.812 0.3 . 1 . . . . 210 GLY CA . 26602 1 828 . 1 1 209 209 GLY N N 15 112.177 0.3 . 1 . . . . 210 GLY N . 26602 1 829 . 1 1 210 210 LEU H H 1 8.261 0.020 . 1 . . . . 211 LEU H . 26602 1 830 . 1 1 210 210 LEU C C 13 175.841 0.3 . 1 . . . . 211 LEU C . 26602 1 831 . 1 1 210 210 LEU CA C 13 53.989 0.3 . 1 . . . . 211 LEU CA . 26602 1 832 . 1 1 210 210 LEU CB C 13 41.103 0.3 . 1 . . . . 211 LEU CB . 26602 1 833 . 1 1 210 210 LEU N N 15 123.543 0.3 . 1 . . . . 211 LEU N . 26602 1 834 . 1 1 211 211 SER H H 1 9.312 0.020 . 1 . . . . 212 SER H . 26602 1 835 . 1 1 211 211 SER C C 13 175.983 0.3 . 1 . . . . 212 SER C . 26602 1 836 . 1 1 211 211 SER CA C 13 56.489 0.3 . 1 . . . . 212 SER CA . 26602 1 837 . 1 1 211 211 SER CB C 13 64.911 0.3 . 1 . . . . 212 SER CB . 26602 1 838 . 1 1 211 211 SER N N 15 116.648 0.3 . 1 . . . . 212 SER N . 26602 1 839 . 1 1 212 212 GLU H H 1 8.156 0.020 . 1 . . . . 213 GLU H . 26602 1 840 . 1 1 212 212 GLU CA C 13 59.225 0.3 . 1 . . . . 213 GLU CA . 26602 1 841 . 1 1 212 212 GLU N N 15 121.592 0.3 . 1 . . . . 213 GLU N . 26602 1 842 . 1 1 213 213 GLU H H 1 8.398 0.020 . 1 . . . . 214 GLU H . 26602 1 843 . 1 1 213 213 GLU C C 13 176.943 0.3 . 1 . . . . 214 GLU C . 26602 1 844 . 1 1 213 213 GLU CA C 13 56.695 0.3 . 1 . . . . 214 GLU CA . 26602 1 845 . 1 1 213 213 GLU CB C 13 28.499 0.3 . 1 . . . . 214 GLU CB . 26602 1 846 . 1 1 213 213 GLU N N 15 115.352 0.3 . 1 . . . . 214 GLU N . 26602 1 847 . 1 1 214 214 ASP H H 1 7.221 0.020 . 1 . . . . 215 ASP H . 26602 1 848 . 1 1 214 214 ASP C C 13 175.510 0.3 . 1 . . . . 215 ASP C . 26602 1 849 . 1 1 214 214 ASP CA C 13 54.636 0.3 . 1 . . . . 215 ASP CA . 26602 1 850 . 1 1 214 214 ASP CB C 13 41.472 0.3 . 1 . . . . 215 ASP CB . 26602 1 851 . 1 1 214 214 ASP N N 15 120.723 0.3 . 1 . . . . 215 ASP N . 26602 1 852 . 1 1 215 215 LYS H H 1 8.437 0.020 . 1 . . . . 216 LYS H . 26602 1 853 . 1 1 215 215 LYS C C 13 175.636 0.3 . 1 . . . . 216 LYS C . 26602 1 854 . 1 1 215 215 LYS CA C 13 55.666 0.3 . 1 . . . . 216 LYS CA . 26602 1 855 . 1 1 215 215 LYS CB C 13 31.668 0.3 . 1 . . . . 216 LYS CB . 26602 1 856 . 1 1 215 215 LYS N N 15 123.405 0.3 . 1 . . . . 216 LYS N . 26602 1 857 . 1 1 216 216 TRP H H 1 8.243 0.020 . 1 . . . . 217 TRP H . 26602 1 858 . 1 1 216 216 TRP C C 13 173.620 0.3 . 1 . . . . 217 TRP C . 26602 1 859 . 1 1 216 216 TRP CA C 13 53.136 0.3 . 1 . . . . 217 TRP CA . 26602 1 860 . 1 1 216 216 TRP CB C 13 32.405 0.3 . 1 . . . . 217 TRP CB . 26602 1 861 . 1 1 216 216 TRP N N 15 123.920 0.3 . 1 . . . . 217 TRP N . 26602 1 862 . 1 1 219 219 GLY H H 1 8.603 0.020 . 1 . . . . 220 GLY H . 26602 1 863 . 1 1 219 219 GLY CA C 13 44.930 0.3 . 1 . . . . 220 GLY CA . 26602 1 864 . 1 1 219 219 GLY N N 15 109.836 0.3 . 1 . . . . 220 GLY N . 26602 1 865 . 1 1 220 220 SER H H 1 7.643 0.020 . 1 . . . . 221 SER H . 26602 1 866 . 1 1 220 220 SER C C 13 172.218 0.3 . 1 . . . . 221 SER C . 26602 1 867 . 1 1 220 220 SER CA C 13 55.548 0.3 . 1 . . . . 221 SER CA . 26602 1 868 . 1 1 220 220 SER CB C 13 62.921 0.3 . 1 . . . . 221 SER CB . 26602 1 869 . 1 1 220 220 SER N N 15 115.719 0.3 . 1 . . . . 221 SER N . 26602 1 870 . 1 1 224 224 VAL H H 1 7.562 0.020 . 1 . . . . 225 VAL H . 26602 1 871 . 1 1 224 224 VAL C C 13 175.589 0.3 . 1 . . . . 225 VAL C . 26602 1 872 . 1 1 224 224 VAL CA C 13 59.813 0.3 . 1 . . . . 225 VAL CA . 26602 1 873 . 1 1 224 224 VAL CB C 13 32.258 0.3 . 1 . . . . 225 VAL CB . 26602 1 874 . 1 1 224 224 VAL N N 15 117.722 0.3 . 1 . . . . 225 VAL N . 26602 1 875 . 1 1 225 225 THR H H 1 7.670 0.020 . 1 . . . . 226 THR H . 26602 1 876 . 1 1 225 225 THR C C 13 174.549 0.3 . 1 . . . . 226 THR C . 26602 1 877 . 1 1 225 225 THR CA C 13 62.990 0.3 . 1 . . . . 226 THR CA . 26602 1 878 . 1 1 225 225 THR CB C 13 68.818 0.3 . 1 . . . . 226 THR CB . 26602 1 879 . 1 1 225 225 THR N N 15 117.987 0.3 . 1 . . . . 226 THR N . 26602 1 880 . 1 1 226 226 GLN H H 1 8.775 0.020 . 1 . . . . 227 GLN H . 26602 1 881 . 1 1 226 226 GLN C C 13 172.092 0.3 . 1 . . . . 227 GLN C . 26602 1 882 . 1 1 226 226 GLN CA C 13 54.283 0.3 . 1 . . . . 227 GLN CA . 26602 1 883 . 1 1 226 226 GLN CB C 13 31.374 0.3 . 1 . . . . 227 GLN CB . 26602 1 884 . 1 1 226 226 GLN N N 15 122.525 0.3 . 1 . . . . 227 GLN N . 26602 1 885 . 1 1 227 227 ASN H H 1 8.555 0.020 . 1 . . . . 228 ASN H . 26602 1 886 . 1 1 227 227 ASN C C 13 174.581 0.3 . 1 . . . . 228 ASN C . 26602 1 887 . 1 1 227 227 ASN CA C 13 51.136 0.3 . 1 . . . . 228 ASN CA . 26602 1 888 . 1 1 227 227 ASN CB C 13 39.260 0.3 . 1 . . . . 228 ASN CB . 26602 1 889 . 1 1 227 227 ASN N N 15 119.710 0.3 . 1 . . . . 228 ASN N . 26602 1 890 . 1 1 228 228 ILE H H 1 8.926 0.020 . 1 . . . . 229 ILE H . 26602 1 891 . 1 1 228 228 ILE C C 13 174.612 0.3 . 1 . . . . 229 ILE C . 26602 1 892 . 1 1 228 228 ILE CA C 13 59.842 0.3 . 1 . . . . 229 ILE CA . 26602 1 893 . 1 1 228 228 ILE CB C 13 39.334 0.3 . 1 . . . . 229 ILE CB . 26602 1 894 . 1 1 228 228 ILE N N 15 126.613 0.3 . 1 . . . . 229 ILE N . 26602 1 895 . 1 1 229 229 SER H H 1 8.482 0.020 . 1 . . . . 230 SER H . 26602 1 896 . 1 1 229 229 SER C C 13 172.958 0.3 . 1 . . . . 230 SER C . 26602 1 897 . 1 1 229 229 SER CA C 13 56.578 0.3 . 1 . . . . 230 SER CA . 26602 1 898 . 1 1 229 229 SER CB C 13 66.459 0.3 . 1 . . . . 230 SER CB . 26602 1 899 . 1 1 229 229 SER N N 15 120.558 0.3 . 1 . . . . 230 SER N . 26602 1 900 . 1 1 230 230 ALA H H 1 8.508 0.020 . 1 . . . . 231 ALA H . 26602 1 901 . 1 1 230 230 ALA C C 13 175.101 0.3 . 1 . . . . 231 ALA C . 26602 1 902 . 1 1 230 230 ALA CA C 13 50.695 0.3 . 1 . . . . 231 ALA CA . 26602 1 903 . 1 1 230 230 ALA CB C 13 22.307 0.3 . 1 . . . . 231 ALA CB . 26602 1 904 . 1 1 230 230 ALA N N 15 123.872 0.3 . 1 . . . . 231 ALA N . 26602 1 905 . 1 1 231 231 GLU H H 1 8.661 0.020 . 1 . . . . 232 GLU H . 26602 1 906 . 1 1 231 231 GLU C C 13 174.486 0.3 . 1 . . . . 232 GLU C . 26602 1 907 . 1 1 231 231 GLU CA C 13 53.607 0.3 . 1 . . . . 232 GLU CA . 26602 1 908 . 1 1 231 231 GLU CB C 13 33.806 0.3 . 1 . . . . 232 GLU CB . 26602 1 909 . 1 1 231 231 GLU N N 15 118.387 0.3 . 1 . . . . 232 GLU N . 26602 1 910 . 1 1 232 232 ALA H H 1 8.926 0.020 . 1 . . . . 233 ALA H . 26602 1 911 . 1 1 232 232 ALA C C 13 174.817 0.3 . 1 . . . . 233 ALA C . 26602 1 912 . 1 1 232 232 ALA CA C 13 51.489 0.3 . 1 . . . . 233 ALA CA . 26602 1 913 . 1 1 232 232 ALA CB C 13 21.718 0.3 . 1 . . . . 233 ALA CB . 26602 1 914 . 1 1 232 232 ALA N N 15 121.841 0.3 . 1 . . . . 233 ALA N . 26602 1 915 . 1 1 233 233 TRP H H 1 8.443 0.020 . 1 . . . . 234 TRP H . 26602 1 916 . 1 1 233 233 TRP C C 13 176.235 0.3 . 1 . . . . 234 TRP C . 26602 1 917 . 1 1 233 233 TRP CA C 13 56.048 0.3 . 1 . . . . 234 TRP CA . 26602 1 918 . 1 1 233 233 TRP CB C 13 31.079 0.3 . 1 . . . . 234 TRP CB . 26602 1 919 . 1 1 233 233 TRP N N 15 121.481 0.3 . 1 . . . . 234 TRP N . 26602 1 920 . 1 1 234 234 GLY H H 1 8.511 0.020 . 1 . . . . 235 GLY H . 26602 1 921 . 1 1 234 234 GLY C C 13 171.982 0.3 . 1 . . . . 235 GLY C . 26602 1 922 . 1 1 234 234 GLY CA C 13 45.018 0.3 . 1 . . . . 235 GLY CA . 26602 1 923 . 1 1 234 234 GLY N N 15 105.284 0.3 . 1 . . . . 235 GLY N . 26602 1 924 . 1 1 235 235 ARG H H 1 6.084 0.020 . 1 . . . . 236 ARG H . 26602 1 925 . 1 1 235 235 ARG C C 13 174.644 0.3 . 1 . . . . 236 ARG C . 26602 1 926 . 1 1 235 235 ARG CA C 13 53.876 0.3 . 1 . . . . 236 ARG CA . 26602 1 927 . 1 1 235 235 ARG CB C 13 31.521 0.3 . 1 . . . . 236 ARG CB . 26602 1 928 . 1 1 235 235 ARG N N 15 116.250 0.3 . 1 . . . . 236 ARG N . 26602 1 929 . 1 1 236 236 ALA H H 1 8.473 0.020 . 1 . . . . 237 ALA H . 26602 1 930 . 1 1 236 236 ALA C C 13 176.534 0.3 . 1 . . . . 237 ALA C . 26602 1 931 . 1 1 236 236 ALA CA C 13 52.018 0.3 . 1 . . . . 237 ALA CA . 26602 1 932 . 1 1 236 236 ALA CB C 13 18.253 0.3 . 1 . . . . 237 ALA CB . 26602 1 933 . 1 1 236 236 ALA N N 15 126.385 0.3 . 1 . . . . 237 ALA N . 26602 1 934 . 1 1 237 237 ASP H H 1 7.703 0.020 . 1 . . . . 238 ASP H . 26602 1 935 . 1 1 237 237 ASP C C 13 180.456 0.3 . 1 . . . . 238 ASP C . 26602 1 936 . 1 1 237 237 ASP CA C 13 54.695 0.3 . 1 . . . . 238 ASP CA . 26602 1 937 . 1 1 237 237 ASP CB C 13 41.324 0.3 . 1 . . . . 238 ASP CB . 26602 1 938 . 1 1 237 237 ASP N N 15 124.202 0.3 . 1 . . . . 238 ASP N . 26602 1 stop_ save_