data_26763 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26763 _Entry.Title ; 1H, 13C, and 15N backbone chemical shift assignments of StAR-related lipid transfer domain protein 6 (STARD6) bound to testosterone ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-21 _Entry.Accession_date 2016-03-21 _Entry.Last_release_date 2016-04-22 _Entry.Original_release_date 2016-04-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Danny Letourneau . . . . 26763 2 Mikael Bedard . . . . 26763 3 Jerome Cabana . . . . 26763 4 Andree Lefebvre . . . . 26763 5 Jean-Guy Lehoux . . . . 26763 6 Pierre Lavigne . . . . 26763 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26763 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 608 26763 '15N chemical shifts' 201 26763 '1H chemical shifts' 201 26763 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 . . 2016-10-26 2016-03-21 update BMRB 'update entry citation' 26763 1 . . 2016-04-22 2016-03-21 original author 'original release' 26763 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18777 . 26763 PDB 2mou . 26763 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26763 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27340016 _Citation.Full_citation . _Citation.Title ; STARD6 on steroids: solution structure, multiple timescale backbone dynamics and ligand binding mechanism ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _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 28486 _Citation.Page_last 28486 _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 Danny Letourneau . . . . 26763 1 2 Mikael Bedard . . . . 26763 1 3 Jerome Cabana . . . . 26763 1 4 Andree Lefebvre . . . . 26763 1 5 Jean-Guy Lehoux . . . . 26763 1 6 Pierre Lavigne . . . . 26763 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Lipid transport' 26763 1 NMR 26763 1 STARD6 26763 1 'steroidogenic acute regulatory protein (StAR)' 26763 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26763 _Assembly.ID 1 _Assembly.Name 'STARD6-testosterone complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 STARD6 1 $STARD6 A . yes native no no . . . 26763 1 2 testosterone 2 $entity_TES A . no na no no . . . 26763 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_STARD6 _Entity.Sf_category entity _Entity.Sf_framecode STARD6 _Entity.Entry_ID 26763 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name STARD6 _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 ; MDFKAIAQQTAQEVLGYNRD TSGWKVVKTSKKITVSSKAS RKFHGNLYRVEGIIPESPAK LSDFLYQTGDRITWDKSLQV YNMVHRIDSDTFICHTITQS FAVGSISPRDFIDLVYIKRY EGNMNIISSKSVDFPEYPPS SNYIRGYNHPCGFVCSPMEE NPAYSKLVMFVQTEMRGKLS PSIIEKTMPSNLVNFILNAK DGIKAHRTPSRRGFHHNSHS HHHHHH ; _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 226 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 2mou . STARD6 . . . . . . . . . . . . . . 26763 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 26763 1 2 2 ASP . 26763 1 3 3 PHE . 26763 1 4 4 LYS . 26763 1 5 5 ALA . 26763 1 6 6 ILE . 26763 1 7 7 ALA . 26763 1 8 8 GLN . 26763 1 9 9 GLN . 26763 1 10 10 THR . 26763 1 11 11 ALA . 26763 1 12 12 GLN . 26763 1 13 13 GLU . 26763 1 14 14 VAL . 26763 1 15 15 LEU . 26763 1 16 16 GLY . 26763 1 17 17 TYR . 26763 1 18 18 ASN . 26763 1 19 19 ARG . 26763 1 20 20 ASP . 26763 1 21 21 THR . 26763 1 22 22 SER . 26763 1 23 23 GLY . 26763 1 24 24 TRP . 26763 1 25 25 LYS . 26763 1 26 26 VAL . 26763 1 27 27 VAL . 26763 1 28 28 LYS . 26763 1 29 29 THR . 26763 1 30 30 SER . 26763 1 31 31 LYS . 26763 1 32 32 LYS . 26763 1 33 33 ILE . 26763 1 34 34 THR . 26763 1 35 35 VAL . 26763 1 36 36 SER . 26763 1 37 37 SER . 26763 1 38 38 LYS . 26763 1 39 39 ALA . 26763 1 40 40 SER . 26763 1 41 41 ARG . 26763 1 42 42 LYS . 26763 1 43 43 PHE . 26763 1 44 44 HIS . 26763 1 45 45 GLY . 26763 1 46 46 ASN . 26763 1 47 47 LEU . 26763 1 48 48 TYR . 26763 1 49 49 ARG . 26763 1 50 50 VAL . 26763 1 51 51 GLU . 26763 1 52 52 GLY . 26763 1 53 53 ILE . 26763 1 54 54 ILE . 26763 1 55 55 PRO . 26763 1 56 56 GLU . 26763 1 57 57 SER . 26763 1 58 58 PRO . 26763 1 59 59 ALA . 26763 1 60 60 LYS . 26763 1 61 61 LEU . 26763 1 62 62 SER . 26763 1 63 63 ASP . 26763 1 64 64 PHE . 26763 1 65 65 LEU . 26763 1 66 66 TYR . 26763 1 67 67 GLN . 26763 1 68 68 THR . 26763 1 69 69 GLY . 26763 1 70 70 ASP . 26763 1 71 71 ARG . 26763 1 72 72 ILE . 26763 1 73 73 THR . 26763 1 74 74 TRP . 26763 1 75 75 ASP . 26763 1 76 76 LYS . 26763 1 77 77 SER . 26763 1 78 78 LEU . 26763 1 79 79 GLN . 26763 1 80 80 VAL . 26763 1 81 81 TYR . 26763 1 82 82 ASN . 26763 1 83 83 MET . 26763 1 84 84 VAL . 26763 1 85 85 HIS . 26763 1 86 86 ARG . 26763 1 87 87 ILE . 26763 1 88 88 ASP . 26763 1 89 89 SER . 26763 1 90 90 ASP . 26763 1 91 91 THR . 26763 1 92 92 PHE . 26763 1 93 93 ILE . 26763 1 94 94 CYS . 26763 1 95 95 HIS . 26763 1 96 96 THR . 26763 1 97 97 ILE . 26763 1 98 98 THR . 26763 1 99 99 GLN . 26763 1 100 100 SER . 26763 1 101 101 PHE . 26763 1 102 102 ALA . 26763 1 103 103 VAL . 26763 1 104 104 GLY . 26763 1 105 105 SER . 26763 1 106 106 ILE . 26763 1 107 107 SER . 26763 1 108 108 PRO . 26763 1 109 109 ARG . 26763 1 110 110 ASP . 26763 1 111 111 PHE . 26763 1 112 112 ILE . 26763 1 113 113 ASP . 26763 1 114 114 LEU . 26763 1 115 115 VAL . 26763 1 116 116 TYR . 26763 1 117 117 ILE . 26763 1 118 118 LYS . 26763 1 119 119 ARG . 26763 1 120 120 TYR . 26763 1 121 121 GLU . 26763 1 122 122 GLY . 26763 1 123 123 ASN . 26763 1 124 124 MET . 26763 1 125 125 ASN . 26763 1 126 126 ILE . 26763 1 127 127 ILE . 26763 1 128 128 SER . 26763 1 129 129 SER . 26763 1 130 130 LYS . 26763 1 131 131 SER . 26763 1 132 132 VAL . 26763 1 133 133 ASP . 26763 1 134 134 PHE . 26763 1 135 135 PRO . 26763 1 136 136 GLU . 26763 1 137 137 TYR . 26763 1 138 138 PRO . 26763 1 139 139 PRO . 26763 1 140 140 SER . 26763 1 141 141 SER . 26763 1 142 142 ASN . 26763 1 143 143 TYR . 26763 1 144 144 ILE . 26763 1 145 145 ARG . 26763 1 146 146 GLY . 26763 1 147 147 TYR . 26763 1 148 148 ASN . 26763 1 149 149 HIS . 26763 1 150 150 PRO . 26763 1 151 151 CYS . 26763 1 152 152 GLY . 26763 1 153 153 PHE . 26763 1 154 154 VAL . 26763 1 155 155 CYS . 26763 1 156 156 SER . 26763 1 157 157 PRO . 26763 1 158 158 MET . 26763 1 159 159 GLU . 26763 1 160 160 GLU . 26763 1 161 161 ASN . 26763 1 162 162 PRO . 26763 1 163 163 ALA . 26763 1 164 164 TYR . 26763 1 165 165 SER . 26763 1 166 166 LYS . 26763 1 167 167 LEU . 26763 1 168 168 VAL . 26763 1 169 169 MET . 26763 1 170 170 PHE . 26763 1 171 171 VAL . 26763 1 172 172 GLN . 26763 1 173 173 THR . 26763 1 174 174 GLU . 26763 1 175 175 MET . 26763 1 176 176 ARG . 26763 1 177 177 GLY . 26763 1 178 178 LYS . 26763 1 179 179 LEU . 26763 1 180 180 SER . 26763 1 181 181 PRO . 26763 1 182 182 SER . 26763 1 183 183 ILE . 26763 1 184 184 ILE . 26763 1 185 185 GLU . 26763 1 186 186 LYS . 26763 1 187 187 THR . 26763 1 188 188 MET . 26763 1 189 189 PRO . 26763 1 190 190 SER . 26763 1 191 191 ASN . 26763 1 192 192 LEU . 26763 1 193 193 VAL . 26763 1 194 194 ASN . 26763 1 195 195 PHE . 26763 1 196 196 ILE . 26763 1 197 197 LEU . 26763 1 198 198 ASN . 26763 1 199 199 ALA . 26763 1 200 200 LYS . 26763 1 201 201 ASP . 26763 1 202 202 GLY . 26763 1 203 203 ILE . 26763 1 204 204 LYS . 26763 1 205 205 ALA . 26763 1 206 206 HIS . 26763 1 207 207 ARG . 26763 1 208 208 THR . 26763 1 209 209 PRO . 26763 1 210 210 SER . 26763 1 211 211 ARG . 26763 1 212 212 ARG . 26763 1 213 213 GLY . 26763 1 214 214 PHE . 26763 1 215 215 HIS . 26763 1 216 216 HIS . 26763 1 217 217 ASN . 26763 1 218 218 SER . 26763 1 219 219 HIS . 26763 1 220 220 SER . 26763 1 221 221 HIS . 26763 1 222 222 HIS . 26763 1 223 223 HIS . 26763 1 224 224 HIS . 26763 1 225 225 HIS . 26763 1 226 226 HIS . 26763 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 26763 1 . ASP 2 2 26763 1 . PHE 3 3 26763 1 . LYS 4 4 26763 1 . ALA 5 5 26763 1 . ILE 6 6 26763 1 . ALA 7 7 26763 1 . GLN 8 8 26763 1 . GLN 9 9 26763 1 . THR 10 10 26763 1 . ALA 11 11 26763 1 . GLN 12 12 26763 1 . GLU 13 13 26763 1 . VAL 14 14 26763 1 . LEU 15 15 26763 1 . GLY 16 16 26763 1 . TYR 17 17 26763 1 . ASN 18 18 26763 1 . ARG 19 19 26763 1 . ASP 20 20 26763 1 . THR 21 21 26763 1 . SER 22 22 26763 1 . GLY 23 23 26763 1 . TRP 24 24 26763 1 . LYS 25 25 26763 1 . VAL 26 26 26763 1 . VAL 27 27 26763 1 . LYS 28 28 26763 1 . THR 29 29 26763 1 . SER 30 30 26763 1 . LYS 31 31 26763 1 . LYS 32 32 26763 1 . ILE 33 33 26763 1 . THR 34 34 26763 1 . VAL 35 35 26763 1 . SER 36 36 26763 1 . SER 37 37 26763 1 . LYS 38 38 26763 1 . ALA 39 39 26763 1 . SER 40 40 26763 1 . ARG 41 41 26763 1 . LYS 42 42 26763 1 . PHE 43 43 26763 1 . HIS 44 44 26763 1 . GLY 45 45 26763 1 . ASN 46 46 26763 1 . LEU 47 47 26763 1 . TYR 48 48 26763 1 . ARG 49 49 26763 1 . VAL 50 50 26763 1 . GLU 51 51 26763 1 . GLY 52 52 26763 1 . ILE 53 53 26763 1 . ILE 54 54 26763 1 . PRO 55 55 26763 1 . GLU 56 56 26763 1 . SER 57 57 26763 1 . PRO 58 58 26763 1 . ALA 59 59 26763 1 . LYS 60 60 26763 1 . LEU 61 61 26763 1 . SER 62 62 26763 1 . ASP 63 63 26763 1 . PHE 64 64 26763 1 . LEU 65 65 26763 1 . TYR 66 66 26763 1 . GLN 67 67 26763 1 . THR 68 68 26763 1 . GLY 69 69 26763 1 . ASP 70 70 26763 1 . ARG 71 71 26763 1 . ILE 72 72 26763 1 . THR 73 73 26763 1 . TRP 74 74 26763 1 . ASP 75 75 26763 1 . LYS 76 76 26763 1 . SER 77 77 26763 1 . LEU 78 78 26763 1 . GLN 79 79 26763 1 . VAL 80 80 26763 1 . TYR 81 81 26763 1 . ASN 82 82 26763 1 . MET 83 83 26763 1 . VAL 84 84 26763 1 . HIS 85 85 26763 1 . ARG 86 86 26763 1 . ILE 87 87 26763 1 . ASP 88 88 26763 1 . SER 89 89 26763 1 . ASP 90 90 26763 1 . THR 91 91 26763 1 . PHE 92 92 26763 1 . ILE 93 93 26763 1 . CYS 94 94 26763 1 . HIS 95 95 26763 1 . THR 96 96 26763 1 . ILE 97 97 26763 1 . THR 98 98 26763 1 . GLN 99 99 26763 1 . SER 100 100 26763 1 . PHE 101 101 26763 1 . ALA 102 102 26763 1 . VAL 103 103 26763 1 . GLY 104 104 26763 1 . SER 105 105 26763 1 . ILE 106 106 26763 1 . SER 107 107 26763 1 . PRO 108 108 26763 1 . ARG 109 109 26763 1 . ASP 110 110 26763 1 . PHE 111 111 26763 1 . ILE 112 112 26763 1 . ASP 113 113 26763 1 . LEU 114 114 26763 1 . VAL 115 115 26763 1 . TYR 116 116 26763 1 . ILE 117 117 26763 1 . LYS 118 118 26763 1 . ARG 119 119 26763 1 . TYR 120 120 26763 1 . GLU 121 121 26763 1 . GLY 122 122 26763 1 . ASN 123 123 26763 1 . MET 124 124 26763 1 . ASN 125 125 26763 1 . ILE 126 126 26763 1 . ILE 127 127 26763 1 . SER 128 128 26763 1 . SER 129 129 26763 1 . LYS 130 130 26763 1 . SER 131 131 26763 1 . VAL 132 132 26763 1 . ASP 133 133 26763 1 . PHE 134 134 26763 1 . PRO 135 135 26763 1 . GLU 136 136 26763 1 . TYR 137 137 26763 1 . PRO 138 138 26763 1 . PRO 139 139 26763 1 . SER 140 140 26763 1 . SER 141 141 26763 1 . ASN 142 142 26763 1 . TYR 143 143 26763 1 . ILE 144 144 26763 1 . ARG 145 145 26763 1 . GLY 146 146 26763 1 . TYR 147 147 26763 1 . ASN 148 148 26763 1 . HIS 149 149 26763 1 . PRO 150 150 26763 1 . CYS 151 151 26763 1 . GLY 152 152 26763 1 . PHE 153 153 26763 1 . VAL 154 154 26763 1 . CYS 155 155 26763 1 . SER 156 156 26763 1 . PRO 157 157 26763 1 . MET 158 158 26763 1 . GLU 159 159 26763 1 . GLU 160 160 26763 1 . ASN 161 161 26763 1 . PRO 162 162 26763 1 . ALA 163 163 26763 1 . TYR 164 164 26763 1 . SER 165 165 26763 1 . LYS 166 166 26763 1 . LEU 167 167 26763 1 . VAL 168 168 26763 1 . MET 169 169 26763 1 . PHE 170 170 26763 1 . VAL 171 171 26763 1 . GLN 172 172 26763 1 . THR 173 173 26763 1 . GLU 174 174 26763 1 . MET 175 175 26763 1 . ARG 176 176 26763 1 . GLY 177 177 26763 1 . LYS 178 178 26763 1 . LEU 179 179 26763 1 . SER 180 180 26763 1 . PRO 181 181 26763 1 . SER 182 182 26763 1 . ILE 183 183 26763 1 . ILE 184 184 26763 1 . GLU 185 185 26763 1 . LYS 186 186 26763 1 . THR 187 187 26763 1 . MET 188 188 26763 1 . PRO 189 189 26763 1 . SER 190 190 26763 1 . ASN 191 191 26763 1 . LEU 192 192 26763 1 . VAL 193 193 26763 1 . ASN 194 194 26763 1 . PHE 195 195 26763 1 . ILE 196 196 26763 1 . LEU 197 197 26763 1 . ASN 198 198 26763 1 . ALA 199 199 26763 1 . LYS 200 200 26763 1 . ASP 201 201 26763 1 . GLY 202 202 26763 1 . ILE 203 203 26763 1 . LYS 204 204 26763 1 . ALA 205 205 26763 1 . HIS 206 206 26763 1 . ARG 207 207 26763 1 . THR 208 208 26763 1 . PRO 209 209 26763 1 . SER 210 210 26763 1 . ARG 211 211 26763 1 . ARG 212 212 26763 1 . GLY 213 213 26763 1 . PHE 214 214 26763 1 . HIS 215 215 26763 1 . HIS 216 216 26763 1 . ASN 217 217 26763 1 . SER 218 218 26763 1 . HIS 219 219 26763 1 . SER 220 220 26763 1 . HIS 221 221 26763 1 . HIS 222 222 26763 1 . HIS 223 223 26763 1 . HIS 224 224 26763 1 . HIS 225 225 26763 1 . HIS 226 226 26763 1 stop_ save_ save_entity_TES _Entity.Sf_category entity _Entity.Sf_framecode entity_TES _Entity.Entry_ID 26763 _Entity.ID 2 _Entity.BMRB_code TES _Entity.Name TESTOSTERONE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 288.424 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TESTOSTERONE BMRB 26763 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID TESTOSTERONE BMRB 26763 2 TES 'Three letter code' 26763 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 TES $chem_comp_TES 26763 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26763 _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 $STARD6 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26763 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 26763 _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 $STARD6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET21b . . . 26763 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_TES _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TES _Chem_comp.Entry_ID 26763 _Chem_comp.ID TES _Chem_comp.Provenance PDB _Chem_comp.Name TESTOSTERONE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code TES _Chem_comp.PDB_code TES _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code TES _Chem_comp.Number_atoms_all 49 _Chem_comp.Number_atoms_nh 21 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C19 H28 O2' _Chem_comp.Formula_weight 288.424 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1AFS _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C SMILES 'OpenEye OEToolkits' 1.5.0 26763 TES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O SMILES_CANONICAL CACTVS 3.341 26763 TES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26763 TES C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2O SMILES CACTVS 3.341 26763 TES ; InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 ; InChI InChI 1.03 26763 TES MUMGGOZAMZWBJJ-DYKIIFRCSA-N InChIKey InChI 1.03 26763 TES O=C4C=C3C(C2CCC1(C(CCC1O)C2CC3)C)(C)CC4 SMILES ACDLabs 10.04 26763 TES stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26763 TES (8alpha,10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one 'SYSTEMATIC NAME' ACDLabs 10.04 26763 TES stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . -18.934 . 65.420 . -20.556 . 1.595 0.191 -2.488 1 . 26763 TES C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . -19.219 . 63.916 . -20.548 . 1.346 -0.913 -3.513 2 . 26763 TES C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . -19.511 . 63.425 . -19.195 . 0.135 -0.513 -4.334 3 . 26763 TES O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . -19.034 . 62.392 . -18.774 . 0.161 -0.485 -5.547 4 . 26763 TES C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . -20.398 . 64.255 . -18.396 . -1.071 -0.162 -3.573 5 . 26763 TES C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . -20.657 . 65.547 . -18.692 . -0.941 0.280 -2.326 6 . 26763 TES C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . -21.548 . 66.345 . -17.786 . -2.193 0.601 -1.527 7 . 26763 TES C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . -20.950 . 67.696 . -17.399 . -2.114 -0.174 -0.207 8 . 26763 TES C8 C8 C8 C8 . C . . R 0 . . . 1 no no . . . . -20.520 . 68.444 . -18.679 . -0.810 0.160 0.517 9 . 26763 TES C9 C9 C9 C9 . C . . S 0 . . . 1 no no . . . . -19.531 . 67.636 . -19.524 . 0.391 -0.293 -0.328 10 . 26763 TES C10 C10 C10 C10 . C . . R 0 . . . 1 no no . . . . -20.077 . 66.259 . -19.945 . 0.360 0.485 -1.643 11 . 26763 TES C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . -18.975 . 68.341 . -20.780 . 1.712 -0.034 0.388 12 . 26763 TES C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . -18.387 . 69.708 . -20.393 . 1.740 -0.684 1.781 13 . 26763 TES C13 C13 C13 C13 . C . . S 0 . . . 1 no no . . . . -19.402 . 70.550 . -19.640 . 0.563 -0.127 2.559 14 . 26763 TES C14 C14 C14 C14 . C . . S 0 . . . 1 no no . . . . -19.860 . 69.791 . -18.399 . -0.728 -0.606 1.843 15 . 26763 TES C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . -20.622 . 70.820 . -17.564 . -1.808 -0.268 2.876 16 . 26763 TES C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . -19.823 . 72.115 . -17.786 . -1.152 -0.693 4.218 17 . 26763 TES C17 C17 C17 C17 . C . . S 0 . . . 1 no no . . . . -18.791 . 71.771 . -18.890 . 0.388 -0.637 3.985 18 . 26763 TES O17 O17 O17 O17 . O . . N 0 . . . 1 no no . . . . -18.437 . 72.878 . -19.714 . 0.999 0.247 4.927 19 . 26763 TES C18 C18 C18 C18 . C . . N 0 . . . 1 no no . . . . -20.586 . 70.955 . -20.533 . 0.619 1.402 2.559 20 . 26763 TES C19 C19 C19 C19 . C . . N 0 . . . 1 no no . . . . -21.233 . 66.424 . -20.949 . 0.424 1.968 -1.274 21 . 26763 TES H11 H11 H11 1H1 . H . . N 0 . . . 1 no no . . . . -17.965 . 65.642 . -20.051 . 2.412 -0.111 -1.833 22 . 26763 TES H12 H12 H12 2H1 . H . . N 0 . . . 1 no no . . . . -18.690 . 65.772 . -21.585 . 1.884 1.101 -3.013 23 . 26763 TES H21 H21 H21 1H2 . H . . N 0 . . . 1 no no . . . . -20.035 . 63.653 . -21.260 . 1.152 -1.856 -3.002 24 . 26763 TES H22 H22 H22 2H2 . H . . N 0 . . . 1 no no . . . . -18.386 . 63.342 . -21.017 . 2.216 -1.017 -4.163 25 . 26763 TES H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . -20.913 . 63.875 . -17.497 . -2.050 -0.263 -4.020 26 . 26763 TES H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . -22.560 . 66.472 . -18.234 . -3.077 0.292 -2.085 27 . 26763 TES H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . -21.822 . 65.757 . -16.879 . -2.238 1.671 -1.324 28 . 26763 TES H71 H71 H71 1H7 . H . . N 0 . . . 1 no no . . . . -21.642 . 68.300 . -16.767 . -2.148 -1.244 -0.414 29 . 26763 TES H72 H72 H72 2H7 . H . . N 0 . . . 1 no no . . . . -20.115 . 67.595 . -16.666 . -2.959 0.097 0.423 30 . 26763 TES H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . -21.476 . 68.598 . -19.230 . -0.752 1.235 0.688 31 . 26763 TES H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . -18.680 . 67.516 . -18.813 . 0.300 -1.359 -0.539 32 . 26763 TES H111 H111 H111 1H11 . H . . N 0 . . . 0 no no . . . . -18.237 . 67.706 . -21.324 . 1.854 1.041 0.494 33 . 26763 TES H112 H112 H112 2H11 . H . . N 0 . . . 0 no no . . . . -19.740 . 68.427 . -21.585 . 2.527 -0.441 -0.210 34 . 26763 TES H121 H121 H121 1H12 . H . . N 0 . . . 0 no no . . . . -17.438 . 69.597 . -19.817 . 2.672 -0.435 2.288 35 . 26763 TES H122 H122 H122 2H12 . H . . N 0 . . . 0 no no . . . . -17.985 . 70.248 . -21.282 . 1.644 -1.765 1.687 36 . 26763 TES H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . -19.009 . 69.402 . -17.791 . -0.700 -1.680 1.659 37 . 26763 TES H151 H151 H151 1H15 . H . . N 0 . . . 0 no no . . . . -21.708 . 70.898 . -17.803 . -2.024 0.799 2.874 38 . 26763 TES H152 H152 H152 2H15 . H . . N 0 . . . 0 no no . . . . -20.760 . 70.538 . -16.494 . -2.714 -0.846 2.689 39 . 26763 TES H161 H161 H161 1H16 . H . . N 0 . . . 0 no no . . . . -20.457 . 73.000 . -18.022 . -1.431 0.003 5.008 40 . 26763 TES H162 H162 H162 2H16 . H . . N 0 . . . 0 no no . . . . -19.367 . 72.527 . -16.856 . -1.464 -1.703 4.483 41 . 26763 TES H17 H17 H17 H17 . H . . N 0 . . . 1 no no . . . . -17.795 . 71.506 . -18.462 . 0.819 -1.634 4.070 42 . 26763 TES HO7 HO7 HO7 HO7 . H . . N 0 . . . 1 no no . . . . -18.064 . 73.622 . -19.256 . 0.823 -0.115 5.806 43 . 26763 TES H181 H181 H181 1H18 . H . . N 0 . . . 0 no no . . . . -21.331 . 71.573 . -19.980 . 0.660 1.764 1.531 44 . 26763 TES H182 H182 H182 2H18 . H . . N 0 . . . 0 no no . . . . -20.238 . 71.470 . -21.458 . -0.269 1.798 3.049 45 . 26763 TES H183 H183 H183 3H18 . H . . N 0 . . . 0 no no . . . . -21.065 . 70.063 . -20.999 . 1.508 1.733 3.096 46 . 26763 TES H191 H191 H191 1H19 . H . . N 0 . . . 0 no no . . . . -22.058 . 67.029 . -20.507 . 0.425 2.569 -2.184 47 . 26763 TES H192 H192 H192 2H19 . H . . N 0 . . . 0 no no . . . . -20.880 . 66.850 . -21.917 . -0.441 2.229 -0.667 48 . 26763 TES H193 H193 H193 3H19 . H . . N 0 . . . 0 no no . . . . -21.598 . 65.439 . -21.322 . 1.336 2.163 -0.710 49 . 26763 TES stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 26763 TES 2 . SING C1 C10 no N 2 . 26763 TES 3 . SING C1 H11 no N 3 . 26763 TES 4 . SING C1 H12 no N 4 . 26763 TES 5 . SING C2 C3 no N 5 . 26763 TES 6 . SING C2 H21 no N 6 . 26763 TES 7 . SING C2 H22 no N 7 . 26763 TES 8 . DOUB C3 O3 no N 8 . 26763 TES 9 . SING C3 C4 no N 9 . 26763 TES 10 . DOUB C4 C5 no N 10 . 26763 TES 11 . SING C4 H4 no N 11 . 26763 TES 12 . SING C5 C6 no N 12 . 26763 TES 13 . SING C5 C10 no N 13 . 26763 TES 14 . SING C6 C7 no N 14 . 26763 TES 15 . SING C6 H61 no N 15 . 26763 TES 16 . SING C6 H62 no N 16 . 26763 TES 17 . SING C7 C8 no N 17 . 26763 TES 18 . SING C7 H71 no N 18 . 26763 TES 19 . SING C7 H72 no N 19 . 26763 TES 20 . SING C8 C9 no N 20 . 26763 TES 21 . SING C8 C14 no N 21 . 26763 TES 22 . SING C8 H8 no N 22 . 26763 TES 23 . SING C9 C10 no N 23 . 26763 TES 24 . SING C9 C11 no N 24 . 26763 TES 25 . SING C9 H9 no N 25 . 26763 TES 26 . SING C10 C19 no N 26 . 26763 TES 27 . SING C11 C12 no N 27 . 26763 TES 28 . SING C11 H111 no N 28 . 26763 TES 29 . SING C11 H112 no N 29 . 26763 TES 30 . SING C12 C13 no N 30 . 26763 TES 31 . SING C12 H121 no N 31 . 26763 TES 32 . SING C12 H122 no N 32 . 26763 TES 33 . SING C13 C14 no N 33 . 26763 TES 34 . SING C13 C17 no N 34 . 26763 TES 35 . SING C13 C18 no N 35 . 26763 TES 36 . SING C14 C15 no N 36 . 26763 TES 37 . SING C14 H14 no N 37 . 26763 TES 38 . SING C15 C16 no N 38 . 26763 TES 39 . SING C15 H151 no N 39 . 26763 TES 40 . SING C15 H152 no N 40 . 26763 TES 41 . SING C16 C17 no N 41 . 26763 TES 42 . SING C16 H161 no N 42 . 26763 TES 43 . SING C16 H162 no N 43 . 26763 TES 44 . SING C17 O17 no N 44 . 26763 TES 45 . SING C17 H17 no N 45 . 26763 TES 46 . SING O17 HO7 no N 46 . 26763 TES 47 . SING C18 H181 no N 47 . 26763 TES 48 . SING C18 H182 no N 48 . 26763 TES 49 . SING C18 H183 no N 49 . 26763 TES 50 . SING C19 H191 no N 50 . 26763 TES 51 . SING C19 H192 no N 51 . 26763 TES 52 . SING C19 H193 no N 52 . 26763 TES stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26763 _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 STARD6 '[U-100% 15N]' . . 1 $STARD6 . . . 0.8 1.1 mM . . . . 26763 1 2 Testosterone 'natural abundance' . . . . . . 1.2 . . mM . . . . 26763 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26763 1 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26763 1 5 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 26763 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 26763 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26763 1 8 ethanol 'natural abundance' . . . . . . 2 . . % . . . . 26763 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 26763 _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' 100 . mM 26763 1 pH 7.4 . pH 26763 1 pressure 1 . atm 26763 1 temperature 273 . K 26763 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26763 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26763 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26763 1 stop_ save_ save_NMR-STAR _Software.Sf_category software _Software.Sf_framecode NMR-STAR _Software.Entry_ID 26763 _Software.ID 2 _Software.Name NMR-STAR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26763 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26763 2 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 26763 _NMR_spectrometer.ID 1 _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 26763 _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 Varian INOVA . 600 . . . 26763 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 26763 _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 . . . . . . . . . . . . . . . . 26763 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26763 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26763 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26763 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 26763 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 26763 1 H 1 water protons . . . . ppm 4.66 internal direct 1 . . . . . 26763 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 26763 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 26763 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 26763 1 2 '3D CBCA(CO)NH' . . . 26763 1 3 '3D HNCO' . . . 26763 1 4 '3D HNCACB' . . . 26763 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 1 1 MET H H 1 8.186 0.03 . 1 . . . . 1 Met H . 26763 1 2 . 1 1 1 1 MET C C 13 174.585 0.3 . 1 . . . . 1 Met C . 26763 1 3 . 1 1 1 1 MET CA C 13 54.766 0.3 . 1 . . . . 1 Met CA . 26763 1 4 . 1 1 1 1 MET CB C 13 32.888 0.3 . 1 . . . . 1 Met CB . 26763 1 5 . 1 1 1 1 MET N N 15 122.023 0.3 . 1 . . . . 1 Met N . 26763 1 6 . 1 1 2 2 ASP H H 1 8.185 0.03 . 1 . . . . 2 Asp H . 26763 1 7 . 1 1 2 2 ASP C C 13 176.196 0.3 . 1 . . . . 2 Asp C . 26763 1 8 . 1 1 2 2 ASP CA C 13 52.191 0.3 . 1 . . . . 2 Asp CA . 26763 1 9 . 1 1 2 2 ASP CB C 13 39.741 0.3 . 1 . . . . 2 Asp CB . 26763 1 10 . 1 1 2 2 ASP N N 15 122.398 0.3 . 1 . . . . 2 Asp N . 26763 1 11 . 1 1 3 3 PHE H H 1 7.880 0.03 . 1 . . . . 3 Phe H . 26763 1 12 . 1 1 3 3 PHE C C 13 177.588 0.3 . 1 . . . . 3 Phe C . 26763 1 13 . 1 1 3 3 PHE CA C 13 60.363 0.3 . 1 . . . . 3 Phe CA . 26763 1 14 . 1 1 3 3 PHE CB C 13 39.156 0.3 . 1 . . . . 3 Phe CB . 26763 1 15 . 1 1 3 3 PHE N N 15 120.832 0.3 . 1 . . . . 3 Phe N . 26763 1 16 . 1 1 4 4 LYS H H 1 8.189 0.03 . 1 . . . . 4 Lys H . 26763 1 17 . 1 1 4 4 LYS C C 13 178.526 0.3 . 1 . . . . 4 Lys C . 26763 1 18 . 1 1 4 4 LYS CA C 13 59.437 0.3 . 1 . . . . 4 Lys CA . 26763 1 19 . 1 1 4 4 LYS CB C 13 30.957 0.3 . 1 . . . . 4 Lys CB . 26763 1 20 . 1 1 4 4 LYS N N 15 118.076 0.3 . 1 . . . . 4 Lys N . 26763 1 21 . 1 1 5 5 ALA H H 1 7.440 0.03 . 1 . . . . 5 Ala H . 26763 1 22 . 1 1 5 5 ALA C C 13 180.726 0.3 . 1 . . . . 5 Ala C . 26763 1 23 . 1 1 5 5 ALA CA C 13 55.046 0.3 . 1 . . . . 5 Ala CA . 26763 1 24 . 1 1 5 5 ALA CB C 13 17.914 0.3 . 1 . . . . 5 Ala CB . 26763 1 25 . 1 1 5 5 ALA N N 15 121.974 0.3 . 1 . . . . 5 Ala N . 26763 1 26 . 1 1 6 6 ILE H H 1 7.704 0.03 . 1 . . . . 6 Ile H . 26763 1 27 . 1 1 6 6 ILE C C 13 179.304 0.3 . 1 . . . . 6 Ile C . 26763 1 28 . 1 1 6 6 ILE CA C 13 64.334 0.3 . 1 . . . . 6 Ile CA . 26763 1 29 . 1 1 6 6 ILE CB C 13 38.225 0.3 . 1 . . . . 6 Ile CB . 26763 1 30 . 1 1 6 6 ILE N N 15 119.124 0.3 . 1 . . . . 6 Ile N . 26763 1 31 . 1 1 7 7 ALA H H 1 8.403 0.03 . 1 . . . . 7 Ala H . 26763 1 32 . 1 1 7 7 ALA C C 13 178.844 0.3 . 1 . . . . 7 Ala C . 26763 1 33 . 1 1 7 7 ALA CA C 13 55.346 0.3 . 1 . . . . 7 Ala CA . 26763 1 34 . 1 1 7 7 ALA CB C 13 16.271 0.3 . 1 . . . . 7 Ala CB . 26763 1 35 . 1 1 7 7 ALA N N 15 125.539 0.3 . 1 . . . . 7 Ala N . 26763 1 36 . 1 1 8 8 GLN H H 1 7.587 0.03 . 1 . . . . 8 Gln H . 26763 1 37 . 1 1 8 8 GLN C C 13 178.992 0.3 . 1 . . . . 8 Gln C . 26763 1 38 . 1 1 8 8 GLN CA C 13 59.102 0.3 . 1 . . . . 8 Gln CA . 26763 1 39 . 1 1 8 8 GLN CB C 13 27.872 0.3 . 1 . . . . 8 Gln CB . 26763 1 40 . 1 1 8 8 GLN N N 15 115.769 0.3 . 1 . . . . 8 Gln N . 26763 1 41 . 1 1 9 9 GLN H H 1 7.989 0.03 . 1 . . . . 9 Gln H . 26763 1 42 . 1 1 9 9 GLN C C 13 178.848 0.3 . 1 . . . . 9 Gln C . 26763 1 43 . 1 1 9 9 GLN CA C 13 58.396 0.3 . 1 . . . . 9 Gln CA . 26763 1 44 . 1 1 9 9 GLN CB C 13 28.632 0.3 . 1 . . . . 9 Gln CB . 26763 1 45 . 1 1 9 9 GLN N N 15 119.713 0.3 . 1 . . . . 9 Gln N . 26763 1 46 . 1 1 10 10 THR H H 1 8.314 0.03 . 1 . . . . 10 Thr H . 26763 1 47 . 1 1 10 10 THR C C 13 174.477 0.3 . 1 . . . . 10 Thr C . 26763 1 48 . 1 1 10 10 THR CA C 13 66.612 0.3 . 1 . . . . 10 Thr CA . 26763 1 49 . 1 1 10 10 THR CB C 13 67.472 0.3 . 1 . . . . 10 Thr CB . 26763 1 50 . 1 1 10 10 THR N N 15 118.322 0.3 . 1 . . . . 10 Thr N . 26763 1 51 . 1 1 11 11 ALA H H 1 8.155 0.03 . 1 . . . . 11 Ala H . 26763 1 52 . 1 1 11 11 ALA C C 13 179.782 0.3 . 1 . . . . 11 Ala C . 26763 1 53 . 1 1 11 11 ALA CA C 13 56.075 0.3 . 1 . . . . 11 Ala CA . 26763 1 54 . 1 1 11 11 ALA CB C 13 19.128 0.3 . 1 . . . . 11 Ala CB . 26763 1 55 . 1 1 11 11 ALA N N 15 124.278 0.3 . 1 . . . . 11 Ala N . 26763 1 56 . 1 1 12 12 GLN H H 1 7.524 0.03 . 1 . . . . 12 Gln H . 26763 1 57 . 1 1 12 12 GLN C C 13 178.685 0.3 . 1 . . . . 12 Gln C . 26763 1 58 . 1 1 12 12 GLN CA C 13 58.513 0.3 . 1 . . . . 12 Gln CA . 26763 1 59 . 1 1 12 12 GLN CB C 13 28.506 0.3 . 1 . . . . 12 Gln CB . 26763 1 60 . 1 1 12 12 GLN N N 15 116.201 0.3 . 1 . . . . 12 Gln N . 26763 1 61 . 1 1 13 13 GLU H H 1 7.750 0.03 . 1 . . . . 13 Glu H . 26763 1 62 . 1 1 13 13 GLU C C 13 178.082 0.3 . 1 . . . . 13 Glu C . 26763 1 63 . 1 1 13 13 GLU CA C 13 59.129 0.3 . 1 . . . . 13 Glu CA . 26763 1 64 . 1 1 13 13 GLU CB C 13 28.468 0.3 . 1 . . . . 13 Glu CB . 26763 1 65 . 1 1 13 13 GLU N N 15 121.751 0.3 . 1 . . . . 13 Glu N . 26763 1 66 . 1 1 14 14 VAL H H 1 7.773 0.03 . 1 . . . . 14 Val H . 26763 1 67 . 1 1 14 14 VAL C C 13 177.151 0.3 . 1 . . . . 14 Val C . 26763 1 68 . 1 1 14 14 VAL CA C 13 65.980 0.3 . 1 . . . . 14 Val CA . 26763 1 69 . 1 1 14 14 VAL CB C 13 31.008 0.3 . 1 . . . . 14 Val CB . 26763 1 70 . 1 1 14 14 VAL N N 15 119.441 0.3 . 1 . . . . 14 Val N . 26763 1 71 . 1 1 15 15 LEU H H 1 7.917 0.03 . 1 . . . . 15 Leu H . 26763 1 72 . 1 1 15 15 LEU C C 13 179.082 0.3 . 1 . . . . 15 Leu C . 26763 1 73 . 1 1 15 15 LEU CA C 13 57.922 0.3 . 1 . . . . 15 Leu CA . 26763 1 74 . 1 1 15 15 LEU CB C 13 40.843 0.3 . 1 . . . . 15 Leu CB . 26763 1 75 . 1 1 15 15 LEU N N 15 121.143 0.3 . 1 . . . . 15 Leu N . 26763 1 76 . 1 1 16 16 GLY H H 1 7.507 0.03 . 1 . . . . 16 Gly H . 26763 1 77 . 1 1 16 16 GLY C C 13 177.453 0.3 . 1 . . . . 16 Gly C . 26763 1 78 . 1 1 16 16 GLY CA C 13 46.614 0.3 . 1 . . . . 16 Gly CA . 26763 1 79 . 1 1 16 16 GLY N N 15 105.071 0.3 . 1 . . . . 16 Gly N . 26763 1 80 . 1 1 17 17 TYR H H 1 7.595 0.03 . 1 . . . . 17 Tyr H . 26763 1 81 . 1 1 17 17 TYR C C 13 178.796 0.3 . 1 . . . . 17 Tyr C . 26763 1 82 . 1 1 17 17 TYR CA C 13 57.193 0.3 . 1 . . . . 17 Tyr CA . 26763 1 83 . 1 1 17 17 TYR CB C 13 34.476 0.3 . 1 . . . . 17 Tyr CB . 26763 1 84 . 1 1 17 17 TYR N N 15 122.727 0.3 . 1 . . . . 17 Tyr N . 26763 1 85 . 1 1 18 18 ASN H H 1 7.768 0.03 . 1 . . . . 18 Asn H . 26763 1 86 . 1 1 18 18 ASN C C 13 175.910 0.3 . 1 . . . . 18 Asn C . 26763 1 87 . 1 1 18 18 ASN CA C 13 56.019 0.3 . 1 . . . . 18 Asn CA . 26763 1 88 . 1 1 18 18 ASN CB C 13 40.247 0.3 . 1 . . . . 18 Asn CB . 26763 1 89 . 1 1 18 18 ASN N N 15 115.801 0.3 . 1 . . . . 18 Asn N . 26763 1 90 . 1 1 19 19 ARG H H 1 7.513 0.03 . 1 . . . . 19 Arg H . 26763 1 91 . 1 1 19 19 ARG C C 13 175.241 0.3 . 1 . . . . 19 Arg C . 26763 1 92 . 1 1 19 19 ARG CA C 13 55.987 0.3 . 1 . . . . 19 Arg CA . 26763 1 93 . 1 1 19 19 ARG CB C 13 30.974 0.3 . 1 . . . . 19 Arg CB . 26763 1 94 . 1 1 19 19 ARG N N 15 115.169 0.3 . 1 . . . . 19 Arg N . 26763 1 95 . 1 1 20 20 ASP H H 1 7.384 0.03 . 1 . . . . 20 Asp H . 26763 1 96 . 1 1 20 20 ASP C C 13 176.813 0.3 . 1 . . . . 20 Asp C . 26763 1 97 . 1 1 20 20 ASP CA C 13 53.470 0.3 . 1 . . . . 20 Asp CA . 26763 1 98 . 1 1 20 20 ASP CB C 13 39.871 0.3 . 1 . . . . 20 Asp CB . 26763 1 99 . 1 1 20 20 ASP N N 15 120.193 0.3 . 1 . . . . 20 Asp N . 26763 1 100 . 1 1 21 21 THR H H 1 8.248 0.03 . 1 . . . . 21 Thr H . 26763 1 101 . 1 1 21 21 THR C C 13 175.072 0.3 . 1 . . . . 21 Thr C . 26763 1 102 . 1 1 21 21 THR CA C 13 61.593 0.3 . 1 . . . . 21 Thr CA . 26763 1 103 . 1 1 21 21 THR CB C 13 68.510 0.3 . 1 . . . . 21 Thr CB . 26763 1 104 . 1 1 21 21 THR N N 15 116.270 0.3 . 1 . . . . 21 Thr N . 26763 1 105 . 1 1 22 22 SER H H 1 8.196 0.03 . 1 . . . . 22 Ser H . 26763 1 106 . 1 1 22 22 SER C C 13 173.957 0.3 . 1 . . . . 22 Ser C . 26763 1 107 . 1 1 22 22 SER CA C 13 57.890 0.3 . 1 . . . . 22 Ser CA . 26763 1 108 . 1 1 22 22 SER CB C 13 65.351 0.3 . 1 . . . . 22 Ser CB . 26763 1 109 . 1 1 22 22 SER N N 15 119.095 0.3 . 1 . . . . 22 Ser N . 26763 1 110 . 1 1 23 23 GLY H H 1 8.651 0.03 . 1 . . . . 23 Gly H . 26763 1 111 . 1 1 23 23 GLY C C 13 174.157 0.3 . 1 . . . . 23 Gly C . 26763 1 112 . 1 1 23 23 GLY CA C 13 47.203 0.3 . 1 . . . . 23 Gly CA . 26763 1 113 . 1 1 23 23 GLY N N 15 109.345 0.3 . 1 . . . . 23 Gly N . 26763 1 114 . 1 1 24 24 TRP H H 1 7.835 0.03 . 1 . . . . 24 Trp H . 26763 1 115 . 1 1 24 24 TRP HE1 H 1 10.161 0.03 . 1 . . . . 24 Trp HE1 . 26763 1 116 . 1 1 24 24 TRP C C 13 176.031 0.3 . 1 . . . . 24 Trp C . 26763 1 117 . 1 1 24 24 TRP CA C 13 56.646 0.3 . 1 . . . . 24 Trp CA . 26763 1 118 . 1 1 24 24 TRP CB C 13 30.342 0.3 . 1 . . . . 24 Trp CB . 26763 1 119 . 1 1 24 24 TRP N N 15 120.493 0.3 . 1 . . . . 24 Trp N . 26763 1 120 . 1 1 24 24 TRP NE1 N 15 129.325 0.3 . 1 . . . . 24 Trp NE1 . 26763 1 121 . 1 1 25 25 LYS H H 1 9.004 0.03 . 1 . . . . 25 Lys H . 26763 1 122 . 1 1 25 25 LYS C C 13 176.104 0.3 . 1 . . . . 25 Lys C . 26763 1 123 . 1 1 25 25 LYS CA C 13 54.444 0.3 . 1 . . . . 25 Lys CA . 26763 1 124 . 1 1 25 25 LYS CB C 13 33.849 0.3 . 1 . . . . 25 Lys CB . 26763 1 125 . 1 1 25 25 LYS N N 15 124.359 0.3 . 1 . . . . 25 Lys N . 26763 1 126 . 1 1 26 26 VAL H H 1 8.853 0.03 . 1 . . . . 26 Val H . 26763 1 127 . 1 1 26 26 VAL C C 13 176.501 0.3 . 1 . . . . 26 Val C . 26763 1 128 . 1 1 26 26 VAL CA C 13 64.757 0.3 . 1 . . . . 26 Val CA . 26763 1 129 . 1 1 26 26 VAL CB C 13 31.577 0.3 . 1 . . . . 26 Val CB . 26763 1 130 . 1 1 26 26 VAL N N 15 126.890 0.3 . 1 . . . . 26 Val N . 26763 1 131 . 1 1 27 27 VAL H H 1 9.259 0.03 . 1 . . . . 27 Val H . 26763 1 132 . 1 1 27 27 VAL C C 13 175.964 0.3 . 1 . . . . 27 Val C . 26763 1 133 . 1 1 27 27 VAL CA C 13 61.640 0.3 . 1 . . . . 27 Val CA . 26763 1 134 . 1 1 27 27 VAL CB C 13 33.382 0.3 . 1 . . . . 27 Val CB . 26763 1 135 . 1 1 27 27 VAL N N 15 124.330 0.3 . 1 . . . . 27 Val N . 26763 1 136 . 1 1 28 28 LYS H H 1 7.802 0.03 . 1 . . . . 28 Lys H . 26763 1 137 . 1 1 28 28 LYS C C 13 173.218 0.3 . 1 . . . . 28 Lys C . 26763 1 138 . 1 1 28 28 LYS CA C 13 56.648 0.3 . 1 . . . . 28 Lys CA . 26763 1 139 . 1 1 28 28 LYS CB C 13 36.588 0.3 . 1 . . . . 28 Lys CB . 26763 1 140 . 1 1 28 28 LYS N N 15 120.344 0.3 . 1 . . . . 28 Lys N . 26763 1 141 . 1 1 29 29 THR H H 1 8.561 0.03 . 1 . . . . 29 Thr H . 26763 1 142 . 1 1 29 29 THR C C 13 174.004 0.3 . 1 . . . . 29 Thr C . 26763 1 143 . 1 1 29 29 THR CA C 13 60.366 0.3 . 1 . . . . 29 Thr CA . 26763 1 144 . 1 1 29 29 THR CB C 13 70.333 0.3 . 1 . . . . 29 Thr CB . 26763 1 145 . 1 1 29 29 THR N N 15 120.704 0.3 . 1 . . . . 29 Thr N . 26763 1 146 . 1 1 30 30 SER H H 1 8.722 0.03 . 1 . . . . 30 Ser H . 26763 1 147 . 1 1 30 30 SER C C 13 173.559 0.3 . 1 . . . . 30 Ser C . 26763 1 148 . 1 1 30 30 SER CA C 13 57.271 0.3 . 1 . . . . 30 Ser CA . 26763 1 149 . 1 1 30 30 SER CB C 13 64.789 0.3 . 1 . . . . 30 Ser CB . 26763 1 150 . 1 1 30 30 SER N N 15 120.328 0.3 . 1 . . . . 30 Ser N . 26763 1 151 . 1 1 31 31 LYS H H 1 9.252 0.03 . 1 . . . . 31 Lys H . 26763 1 152 . 1 1 31 31 LYS CA C 13 57.077 0.3 . 1 . . . . 31 Lys CA . 26763 1 153 . 1 1 31 31 LYS CB C 13 29.046 0.3 . 1 . . . . 31 Lys CB . 26763 1 154 . 1 1 31 31 LYS N N 15 124.359 0.3 . 1 . . . . 31 Lys N . 26763 1 155 . 1 1 32 32 LYS C C 13 175.691 0.3 . 1 . . . . 32 Lys C . 26763 1 156 . 1 1 32 32 LYS CB C 13 29.083 0.3 . 1 . . . . 32 Lys CB . 26763 1 157 . 1 1 33 33 ILE H H 1 8.195 0.03 . 1 . . . . 33 Ile H . 26763 1 158 . 1 1 33 33 ILE C C 13 175.544 0.3 . 1 . . . . 33 Ile C . 26763 1 159 . 1 1 33 33 ILE CA C 13 60.044 0.3 . 1 . . . . 33 Ile CA . 26763 1 160 . 1 1 33 33 ILE CB C 13 38.539 0.3 . 1 . . . . 33 Ile CB . 26763 1 161 . 1 1 33 33 ILE N N 15 124.330 0.3 . 1 . . . . 33 Ile N . 26763 1 162 . 1 1 34 34 THR H H 1 8.124 0.03 . 1 . . . . 34 Thr H . 26763 1 163 . 1 1 34 34 THR C C 13 173.721 0.3 . 1 . . . . 34 Thr C . 26763 1 164 . 1 1 34 34 THR CA C 13 61.648 0.3 . 1 . . . . 34 Thr CA . 26763 1 165 . 1 1 34 34 THR CB C 13 70.955 0.3 . 1 . . . . 34 Thr CB . 26763 1 166 . 1 1 34 34 THR N N 15 120.471 0.3 . 1 . . . . 34 Thr N . 26763 1 167 . 1 1 35 35 VAL H H 1 9.420 0.03 . 1 . . . . 35 Val H . 26763 1 168 . 1 1 35 35 VAL C C 13 174.910 0.3 . 1 . . . . 35 Val C . 26763 1 169 . 1 1 35 35 VAL CA C 13 61.596 0.3 . 1 . . . . 35 Val CA . 26763 1 170 . 1 1 35 35 VAL CB C 13 33.516 0.3 . 1 . . . . 35 Val CB . 26763 1 171 . 1 1 35 35 VAL N N 15 127.220 0.3 . 1 . . . . 35 Val N . 26763 1 172 . 1 1 36 36 SER H H 1 9.846 0.03 . 1 . . . . 36 Ser H . 26763 1 173 . 1 1 36 36 SER C C 13 172.643 0.3 . 1 . . . . 36 Ser C . 26763 1 174 . 1 1 36 36 SER CA C 13 57.244 0.3 . 1 . . . . 36 Ser CA . 26763 1 175 . 1 1 36 36 SER CB C 13 66.003 0.3 . 1 . . . . 36 Ser CB . 26763 1 176 . 1 1 36 36 SER N N 15 123.748 0.3 . 1 . . . . 36 Ser N . 26763 1 177 . 1 1 37 37 SER H H 1 9.673 0.03 . 1 . . . . 37 Ser H . 26763 1 178 . 1 1 37 37 SER C C 13 173.211 0.3 . 1 . . . . 37 Ser C . 26763 1 179 . 1 1 37 37 SER CA C 13 57.166 0.3 . 1 . . . . 37 Ser CA . 26763 1 180 . 1 1 37 37 SER CB C 13 68.413 0.3 . 1 . . . . 37 Ser CB . 26763 1 181 . 1 1 37 37 SER N N 15 115.944 0.3 . 1 . . . . 37 Ser N . 26763 1 182 . 1 1 38 38 LYS H H 1 8.434 0.03 . 1 . . . . 38 Lys H . 26763 1 183 . 1 1 38 38 LYS C C 13 173.837 0.3 . 1 . . . . 38 Lys C . 26763 1 184 . 1 1 38 38 LYS CA C 13 55.338 0.3 . 1 . . . . 38 Lys CA . 26763 1 185 . 1 1 38 38 LYS CB C 13 35.384 0.3 . 1 . . . . 38 Lys CB . 26763 1 186 . 1 1 38 38 LYS N N 15 118.195 0.3 . 1 . . . . 38 Lys N . 26763 1 187 . 1 1 39 39 ALA H H 1 8.224 0.03 . 1 . . . . 39 Ala H . 26763 1 188 . 1 1 39 39 ALA C C 13 178.116 0.3 . 1 . . . . 39 Ala C . 26763 1 189 . 1 1 39 39 ALA CA C 13 52.875 0.3 . 1 . . . . 39 Ala CA . 26763 1 190 . 1 1 39 39 ALA CB C 13 17.890 0.3 . 1 . . . . 39 Ala CB . 26763 1 191 . 1 1 39 39 ALA N N 15 122.874 0.3 . 1 . . . . 39 Ala N . 26763 1 192 . 1 1 40 40 SER H H 1 8.482 0.03 . 1 . . . . 40 Ser H . 26763 1 193 . 1 1 40 40 SER C C 13 175.763 0.3 . 1 . . . . 40 Ser C . 26763 1 194 . 1 1 40 40 SER CA C 13 57.745 0.3 . 1 . . . . 40 Ser CA . 26763 1 195 . 1 1 40 40 SER CB C 13 63.238 0.3 . 1 . . . . 40 Ser CB . 26763 1 196 . 1 1 40 40 SER N N 15 115.299 0.3 . 1 . . . . 40 Ser N . 26763 1 197 . 1 1 41 41 ARG H H 1 8.894 0.03 . 1 . . . . 41 Arg H . 26763 1 198 . 1 1 41 41 ARG C C 13 176.811 0.3 . 1 . . . . 41 Arg C . 26763 1 199 . 1 1 41 41 ARG CA C 13 55.911 0.3 . 1 . . . . 41 Arg CA . 26763 1 200 . 1 1 41 41 ARG CB C 13 29.498 0.3 . 1 . . . . 41 Arg CB . 26763 1 201 . 1 1 41 41 ARG N N 15 124.294 0.3 . 1 . . . . 41 Arg N . 26763 1 202 . 1 1 42 42 LYS H H 1 8.693 0.03 . 1 . . . . 42 Lys H . 26763 1 203 . 1 1 42 42 LYS C C 13 174.679 0.3 . 1 . . . . 42 Lys C . 26763 1 204 . 1 1 42 42 LYS CA C 13 55.318 0.3 . 1 . . . . 42 Lys CA . 26763 1 205 . 1 1 42 42 LYS CB C 13 32.781 0.3 . 1 . . . . 42 Lys CB . 26763 1 206 . 1 1 42 42 LYS N N 15 117.623 0.3 . 1 . . . . 42 Lys N . 26763 1 207 . 1 1 43 43 PHE H H 1 7.291 0.03 . 1 . . . . 43 Phe H . 26763 1 208 . 1 1 43 43 PHE C C 13 172.258 0.3 . 1 . . . . 43 Phe C . 26763 1 209 . 1 1 43 43 PHE CA C 13 54.739 0.3 . 1 . . . . 43 Phe CA . 26763 1 210 . 1 1 43 43 PHE CB C 13 39.122 0.3 . 1 . . . . 43 Phe CB . 26763 1 211 . 1 1 43 43 PHE N N 15 115.499 0.3 . 1 . . . . 43 Phe N . 26763 1 212 . 1 1 44 44 HIS H H 1 8.421 0.03 . 1 . . . . 44 His H . 26763 1 213 . 1 1 44 44 HIS C C 13 172.976 0.3 . 1 . . . . 44 His C . 26763 1 214 . 1 1 44 44 HIS CA C 13 54.150 0.3 . 1 . . . . 44 His CA . 26763 1 215 . 1 1 44 44 HIS CB C 13 25.368 0.3 . 1 . . . . 44 His CB . 26763 1 216 . 1 1 44 44 HIS N N 15 118.396 0.3 . 1 . . . . 44 His N . 26763 1 217 . 1 1 45 45 GLY H H 1 6.783 0.03 . 1 . . . . 45 Gly H . 26763 1 218 . 1 1 45 45 GLY C C 13 170.913 0.3 . 1 . . . . 45 Gly C . 26763 1 219 . 1 1 45 45 GLY CA C 13 44.766 0.3 . 1 . . . . 45 Gly CA . 26763 1 220 . 1 1 45 45 GLY N N 15 113.608 0.3 . 1 . . . . 45 Gly N . 26763 1 221 . 1 1 46 46 ASN H H 1 8.572 0.03 . 1 . . . . 46 Asn H . 26763 1 222 . 1 1 46 46 ASN C C 13 172.903 0.3 . 1 . . . . 46 Asn C . 26763 1 223 . 1 1 46 46 ASN CA C 13 52.908 0.3 . 1 . . . . 46 Asn CA . 26763 1 224 . 1 1 46 46 ASN CB C 13 40.977 0.3 . 1 . . . . 46 Asn CB . 26763 1 225 . 1 1 46 46 ASN N N 15 117.962 0.3 . 1 . . . . 46 Asn N . 26763 1 226 . 1 1 47 47 LEU H H 1 8.698 0.03 . 1 . . . . 47 Leu H . 26763 1 227 . 1 1 47 47 LEU C C 13 174.672 0.3 . 1 . . . . 47 Leu C . 26763 1 228 . 1 1 47 47 LEU CA C 13 53.546 0.3 . 1 . . . . 47 Leu CA . 26763 1 229 . 1 1 47 47 LEU CB C 13 43.441 0.3 . 1 . . . . 47 Leu CB . 26763 1 230 . 1 1 47 47 LEU N N 15 122.621 0.3 . 1 . . . . 47 Leu N . 26763 1 231 . 1 1 48 48 TYR H H 1 9.285 0.03 . 1 . . . . 48 Tyr H . 26763 1 232 . 1 1 48 48 TYR C C 13 174.325 0.3 . 1 . . . . 48 Tyr C . 26763 1 233 . 1 1 48 48 TYR CA C 13 57.271 0.3 . 1 . . . . 48 Tyr CA . 26763 1 234 . 1 1 48 48 TYR CB C 13 41.823 0.3 . 1 . . . . 48 Tyr CB . 26763 1 235 . 1 1 48 48 TYR N N 15 123.392 0.3 . 1 . . . . 48 Tyr N . 26763 1 236 . 1 1 49 49 ARG H H 1 8.927 0.03 . 1 . . . . 49 Arg H . 26763 1 237 . 1 1 49 49 ARG C C 13 174.589 0.3 . 1 . . . . 49 Arg C . 26763 1 238 . 1 1 49 49 ARG CA C 13 53.403 0.3 . 1 . . . . 49 Arg CA . 26763 1 239 . 1 1 49 49 ARG CB C 13 33.156 0.3 . 1 . . . . 49 Arg CB . 26763 1 240 . 1 1 49 49 ARG N N 15 122.044 0.3 . 1 . . . . 49 Arg N . 26763 1 241 . 1 1 50 50 VAL H H 1 9.385 0.03 . 1 . . . . 50 Val H . 26763 1 242 . 1 1 50 50 VAL C C 13 173.518 0.3 . 1 . . . . 50 Val C . 26763 1 243 . 1 1 50 50 VAL CA C 13 59.529 0.3 . 1 . . . . 50 Val CA . 26763 1 244 . 1 1 50 50 VAL CB C 13 34.255 0.3 . 1 . . . . 50 Val CB . 26763 1 245 . 1 1 50 50 VAL N N 15 129.676 0.3 . 1 . . . . 50 Val N . 26763 1 246 . 1 1 51 51 GLU H H 1 8.508 0.03 . 1 . . . . 51 Glu H . 26763 1 247 . 1 1 51 51 GLU C C 13 174.936 0.3 . 1 . . . . 51 Glu C . 26763 1 248 . 1 1 51 51 GLU CA C 13 54.033 0.3 . 1 . . . . 51 Glu CA . 26763 1 249 . 1 1 51 51 GLU CB C 13 34.477 0.3 . 1 . . . . 51 Glu CB . 26763 1 250 . 1 1 51 51 GLU N N 15 125.551 0.3 . 1 . . . . 51 Glu N . 26763 1 251 . 1 1 52 52 GLY H H 1 8.605 0.03 . 1 . . . . 52 Gly H . 26763 1 252 . 1 1 52 52 GLY C C 13 170.030 0.3 . 1 . . . . 52 Gly C . 26763 1 253 . 1 1 52 52 GLY CA C 13 45.141 0.3 . 1 . . . . 52 Gly CA . 26763 1 254 . 1 1 52 52 GLY N N 15 108.693 0.3 . 1 . . . . 52 Gly N . 26763 1 255 . 1 1 53 53 ILE H H 1 8.308 0.03 . 1 . . . . 53 Ile H . 26763 1 256 . 1 1 53 53 ILE C C 13 176.177 0.3 . 1 . . . . 53 Ile C . 26763 1 257 . 1 1 53 53 ILE CA C 13 59.103 0.3 . 1 . . . . 53 Ile CA . 26763 1 258 . 1 1 53 53 ILE CB C 13 38.798 0.3 . 1 . . . . 53 Ile CB . 26763 1 259 . 1 1 53 53 ILE N N 15 119.622 0.3 . 1 . . . . 53 Ile N . 26763 1 260 . 1 1 54 54 ILE H H 1 9.018 0.03 . 1 . . . . 54 Ile H . 26763 1 261 . 1 1 54 54 ILE CA C 13 59.118 0.3 . 1 . . . . 54 Ile CA . 26763 1 262 . 1 1 54 54 ILE CB C 13 39.766 0.3 . 1 . . . . 54 Ile CB . 26763 1 263 . 1 1 54 54 ILE N N 15 126.688 0.3 . 1 . . . . 54 Ile N . 26763 1 264 . 1 1 55 55 PRO C C 13 173.534 0.3 . 1 . . . . 55 Pro C . 26763 1 265 . 1 1 55 55 PRO CA C 13 62.004 0.3 . 1 . . . . 55 Pro CA . 26763 1 266 . 1 1 55 55 PRO CB C 13 26.713 0.3 . 1 . . . . 55 Pro CB . 26763 1 267 . 1 1 56 56 GLU H H 1 8.625 0.03 . 1 . . . . 56 Glu H . 26763 1 268 . 1 1 56 56 GLU C C 13 174.140 0.3 . 1 . . . . 56 Glu C . 26763 1 269 . 1 1 56 56 GLU CA C 13 54.128 0.3 . 1 . . . . 56 Glu CA . 26763 1 270 . 1 1 56 56 GLU CB C 13 34.117 0.3 . 1 . . . . 56 Glu CB . 26763 1 271 . 1 1 56 56 GLU N N 15 122.894 0.3 . 1 . . . . 56 Glu N . 26763 1 272 . 1 1 57 57 SER H H 1 9.254 0.03 . 1 . . . . 57 Ser H . 26763 1 273 . 1 1 57 57 SER CA C 13 57.207 0.3 . 1 . . . . 57 Ser CA . 26763 1 274 . 1 1 57 57 SER CB C 13 62.932 0.3 . 1 . . . . 57 Ser CB . 26763 1 275 . 1 1 57 57 SER N N 15 120.123 0.3 . 1 . . . . 57 Ser N . 26763 1 276 . 1 1 58 58 PRO C C 13 179.607 0.3 . 1 . . . . 58 Pro C . 26763 1 277 . 1 1 58 58 PRO CA C 13 61.740 0.3 . 1 . . . . 58 Pro CA . 26763 1 278 . 1 1 58 58 PRO CB C 13 30.394 0.3 . 1 . . . . 58 Pro CB . 26763 1 279 . 1 1 59 59 ALA H H 1 8.103 0.03 . 1 . . . . 59 Ala H . 26763 1 280 . 1 1 59 59 ALA C C 13 179.431 0.3 . 1 . . . . 59 Ala C . 26763 1 281 . 1 1 59 59 ALA CA C 13 55.954 0.3 . 1 . . . . 59 Ala CA . 26763 1 282 . 1 1 59 59 ALA CB C 13 18.811 0.3 . 1 . . . . 59 Ala CB . 26763 1 283 . 1 1 59 59 ALA N N 15 121.194 0.3 . 1 . . . . 59 Ala N . 26763 1 284 . 1 1 60 60 LYS H H 1 7.218 0.03 . 1 . . . . 60 Lys H . 26763 1 285 . 1 1 60 60 LYS C C 13 179.102 0.3 . 1 . . . . 60 Lys C . 26763 1 286 . 1 1 60 60 LYS CA C 13 59.082 0.3 . 1 . . . . 60 Lys CA . 26763 1 287 . 1 1 60 60 LYS CB C 13 32.220 0.3 . 1 . . . . 60 Lys CB . 26763 1 288 . 1 1 60 60 LYS N N 15 119.334 0.3 . 1 . . . . 60 Lys N . 26763 1 289 . 1 1 61 61 LEU H H 1 8.678 0.03 . 1 . . . . 61 Leu H . 26763 1 290 . 1 1 61 61 LEU C C 13 177.354 0.3 . 1 . . . . 61 Leu C . 26763 1 291 . 1 1 61 61 LEU CA C 13 57.813 0.3 . 1 . . . . 61 Leu CA . 26763 1 292 . 1 1 61 61 LEU CB C 13 41.562 0.3 . 1 . . . . 61 Leu CB . 26763 1 293 . 1 1 61 61 LEU N N 15 120.356 0.3 . 1 . . . . 61 Leu N . 26763 1 294 . 1 1 62 62 SER H H 1 8.100 0.03 . 1 . . . . 62 Ser H . 26763 1 295 . 1 1 62 62 SER C C 13 174.979 0.3 . 1 . . . . 62 Ser C . 26763 1 296 . 1 1 62 62 SER CA C 13 61.801 0.3 . 1 . . . . 62 Ser CA . 26763 1 297 . 1 1 62 62 SER CB C 13 63.381 0.3 . 1 . . . . 62 Ser CB . 26763 1 298 . 1 1 62 62 SER N N 15 112.783 0.3 . 1 . . . . 62 Ser N . 26763 1 299 . 1 1 63 63 ASP H H 1 7.246 0.03 . 1 . . . . 63 Asp H . 26763 1 300 . 1 1 63 63 ASP C C 13 177.595 0.3 . 1 . . . . 63 Asp C . 26763 1 301 . 1 1 63 63 ASP CA C 13 57.975 0.3 . 1 . . . . 63 Asp CA . 26763 1 302 . 1 1 63 63 ASP CB C 13 41.612 0.3 . 1 . . . . 63 Asp CB . 26763 1 303 . 1 1 63 63 ASP N N 15 121.170 0.3 . 1 . . . . 63 Asp N . 26763 1 304 . 1 1 64 64 PHE H H 1 7.805 0.03 . 1 . . . . 64 Phe H . 26763 1 305 . 1 1 64 64 PHE C C 13 176.674 0.3 . 1 . . . . 64 Phe C . 26763 1 306 . 1 1 64 64 PHE CA C 13 60.663 0.3 . 1 . . . . 64 Phe CA . 26763 1 307 . 1 1 64 64 PHE CB C 13 39.662 0.3 . 1 . . . . 64 Phe CB . 26763 1 308 . 1 1 64 64 PHE N N 15 119.343 0.3 . 1 . . . . 64 Phe N . 26763 1 309 . 1 1 65 65 LEU H H 1 7.696 0.03 . 1 . . . . 65 Leu H . 26763 1 310 . 1 1 65 65 LEU C C 13 175.877 0.3 . 1 . . . . 65 Leu C . 26763 1 311 . 1 1 65 65 LEU CA C 13 56.013 0.3 . 1 . . . . 65 Leu CA . 26763 1 312 . 1 1 65 65 LEU CB C 13 41.006 0.3 . 1 . . . . 65 Leu CB . 26763 1 313 . 1 1 65 65 LEU N N 15 116.043 0.3 . 1 . . . . 65 Leu N . 26763 1 314 . 1 1 66 66 TYR H H 1 8.099 0.03 . 1 . . . . 66 Tyr H . 26763 1 315 . 1 1 66 66 TYR C C 13 176.162 0.3 . 1 . . . . 66 Tyr C . 26763 1 316 . 1 1 66 66 TYR CA C 13 58.607 0.3 . 1 . . . . 66 Tyr CA . 26763 1 317 . 1 1 66 66 TYR CB C 13 40.905 0.3 . 1 . . . . 66 Tyr CB . 26763 1 318 . 1 1 66 66 TYR N N 15 120.350 0.3 . 1 . . . . 66 Tyr N . 26763 1 319 . 1 1 67 67 GLN H H 1 7.576 0.03 . 1 . . . . 67 Gln H . 26763 1 320 . 1 1 67 67 GLN C C 13 177.262 0.3 . 1 . . . . 67 Gln C . 26763 1 321 . 1 1 67 67 GLN CA C 13 56.030 0.3 . 1 . . . . 67 Gln CA . 26763 1 322 . 1 1 67 67 GLN CB C 13 28.469 0.3 . 1 . . . . 67 Gln CB . 26763 1 323 . 1 1 67 67 GLN N N 15 115.777 0.3 . 1 . . . . 67 Gln N . 26763 1 324 . 1 1 68 68 THR H H 1 8.018 0.03 . 1 . . . . 68 Thr H . 26763 1 325 . 1 1 68 68 THR C C 13 177.756 0.3 . 1 . . . . 68 Thr C . 26763 1 326 . 1 1 68 68 THR CA C 13 62.831 0.3 . 1 . . . . 68 Thr CA . 26763 1 327 . 1 1 68 68 THR CB C 13 65.990 0.3 . 1 . . . . 68 Thr CB . 26763 1 328 . 1 1 68 68 THR N N 15 110.538 0.3 . 1 . . . . 68 Thr N . 26763 1 329 . 1 1 69 69 GLY H H 1 8.247 0.03 . 1 . . . . 69 Gly H . 26763 1 330 . 1 1 69 69 GLY C C 13 174.471 0.3 . 1 . . . . 69 Gly C . 26763 1 331 . 1 1 69 69 GLY CA C 13 47.188 0.3 . 1 . . . . 69 Gly CA . 26763 1 332 . 1 1 69 69 GLY N N 15 110.008 0.3 . 1 . . . . 69 Gly N . 26763 1 333 . 1 1 70 70 ASP H H 1 8.560 0.03 . 1 . . . . 70 Asp H . 26763 1 334 . 1 1 70 70 ASP C C 13 176.907 0.3 . 1 . . . . 70 Asp C . 26763 1 335 . 1 1 70 70 ASP CA C 13 53.529 0.3 . 1 . . . . 70 Asp CA . 26763 1 336 . 1 1 70 70 ASP CB C 13 41.362 0.3 . 1 . . . . 70 Asp CB . 26763 1 337 . 1 1 70 70 ASP N N 15 118.172 0.3 . 1 . . . . 70 Asp N . 26763 1 338 . 1 1 71 71 ARG H H 1 7.194 0.03 . 1 . . . . 71 Arg H . 26763 1 339 . 1 1 71 71 ARG C C 13 176.354 0.3 . 1 . . . . 71 Arg C . 26763 1 340 . 1 1 71 71 ARG CA C 13 57.820 0.3 . 1 . . . . 71 Arg CA . 26763 1 341 . 1 1 71 71 ARG CB C 13 30.152 0.3 . 1 . . . . 71 Arg CB . 26763 1 342 . 1 1 71 71 ARG N N 15 122.729 0.3 . 1 . . . . 71 Arg N . 26763 1 343 . 1 1 72 72 ILE H H 1 7.563 0.03 . 1 . . . . 72 Ile H . 26763 1 344 . 1 1 72 72 ILE C C 13 176.504 0.3 . 1 . . . . 72 Ile C . 26763 1 345 . 1 1 72 72 ILE CA C 13 62.844 0.3 . 1 . . . . 72 Ile CA . 26763 1 346 . 1 1 72 72 ILE CB C 13 38.453 0.3 . 1 . . . . 72 Ile CB . 26763 1 347 . 1 1 72 72 ILE N N 15 109.044 0.3 . 1 . . . . 72 Ile N . 26763 1 348 . 1 1 73 73 THR H H 1 7.431 0.03 . 1 . . . . 73 Thr H . 26763 1 349 . 1 1 73 73 THR C C 13 174.680 0.3 . 1 . . . . 73 Thr C . 26763 1 350 . 1 1 73 73 THR CA C 13 64.720 0.3 . 1 . . . . 73 Thr CA . 26763 1 351 . 1 1 73 73 THR CB C 13 62.883 0.3 . 1 . . . . 73 Thr CB . 26763 1 352 . 1 1 73 73 THR N N 15 113.614 0.3 . 1 . . . . 73 Thr N . 26763 1 353 . 1 1 74 74 TRP H H 1 6.482 0.03 . 1 . . . . 74 Trp H . 26763 1 354 . 1 1 74 74 TRP HE1 H 1 9.667 0.03 . 1 . . . . 74 Trp HE1 . 26763 1 355 . 1 1 74 74 TRP C C 13 175.384 0.3 . 1 . . . . 74 Trp C . 26763 1 356 . 1 1 74 74 TRP CA C 13 54.738 0.3 . 1 . . . . 74 Trp CA . 26763 1 357 . 1 1 74 74 TRP CB C 13 31.001 0.3 . 1 . . . . 74 Trp CB . 26763 1 358 . 1 1 74 74 TRP N N 15 114.419 0.3 . 1 . . . . 74 Trp N . 26763 1 359 . 1 1 74 74 TRP NE1 N 15 132.912 0.3 . 1 . . . . 74 Trp NE1 . 26763 1 360 . 1 1 75 75 ASP H H 1 7.215 0.03 . 1 . . . . 75 Asp H . 26763 1 361 . 1 1 75 75 ASP C C 13 175.412 0.3 . 1 . . . . 75 Asp C . 26763 1 362 . 1 1 75 75 ASP CA C 13 56.616 0.3 . 1 . . . . 75 Asp CA . 26763 1 363 . 1 1 75 75 ASP CB C 13 38.172 0.3 . 1 . . . . 75 Asp CB . 26763 1 364 . 1 1 75 75 ASP N N 15 123.176 0.3 . 1 . . . . 75 Asp N . 26763 1 365 . 1 1 76 76 LYS H H 1 6.768 0.03 . 1 . . . . 76 Lys H . 26763 1 366 . 1 1 76 76 LYS C C 13 175.368 0.3 . 1 . . . . 76 Lys C . 26763 1 367 . 1 1 76 76 LYS CA C 13 55.429 0.3 . 1 . . . . 76 Lys CA . 26763 1 368 . 1 1 76 76 LYS CB C 13 31.468 0.3 . 1 . . . . 76 Lys CB . 26763 1 369 . 1 1 76 76 LYS N N 15 120.921 0.3 . 1 . . . . 76 Lys N . 26763 1 370 . 1 1 77 77 SER H H 1 8.072 0.03 . 1 . . . . 77 Ser H . 26763 1 371 . 1 1 77 77 SER C C 13 173.839 0.3 . 1 . . . . 77 Ser C . 26763 1 372 . 1 1 77 77 SER CA C 13 57.961 0.3 . 1 . . . . 77 Ser CA . 26763 1 373 . 1 1 77 77 SER CB C 13 61.574 0.3 . 1 . . . . 77 Ser CB . 26763 1 374 . 1 1 77 77 SER N N 15 113.838 0.3 . 1 . . . . 77 Ser N . 26763 1 375 . 1 1 78 78 LEU H H 1 7.056 0.03 . 1 . . . . 78 Leu H . 26763 1 376 . 1 1 78 78 LEU C C 13 175.729 0.3 . 1 . . . . 78 Leu C . 26763 1 377 . 1 1 78 78 LEU CA C 13 53.523 0.3 . 1 . . . . 78 Leu CA . 26763 1 378 . 1 1 78 78 LEU CB C 13 43.474 0.3 . 1 . . . . 78 Leu CB . 26763 1 379 . 1 1 78 78 LEU N N 15 119.224 0.3 . 1 . . . . 78 Leu N . 26763 1 380 . 1 1 79 79 GLN H H 1 8.867 0.03 . 1 . . . . 79 Gln H . 26763 1 381 . 1 1 79 79 GLN C C 13 175.240 0.3 . 1 . . . . 79 Gln C . 26763 1 382 . 1 1 79 79 GLN CA C 13 57.173 0.3 . 1 . . . . 79 Gln CA . 26763 1 383 . 1 1 79 79 GLN CB C 13 29.528 0.3 . 1 . . . . 79 Gln CB . 26763 1 384 . 1 1 79 79 GLN N N 15 115.293 0.3 . 1 . . . . 79 Gln N . 26763 1 385 . 1 1 80 80 VAL H H 1 7.487 0.03 . 1 . . . . 80 Val H . 26763 1 386 . 1 1 80 80 VAL C C 13 173.075 0.3 . 1 . . . . 80 Val C . 26763 1 387 . 1 1 80 80 VAL CA C 13 62.261 0.3 . 1 . . . . 80 Val CA . 26763 1 388 . 1 1 80 80 VAL CB C 13 34.779 0.3 . 1 . . . . 80 Val CB . 26763 1 389 . 1 1 80 80 VAL N N 15 118.165 0.3 . 1 . . . . 80 Val N . 26763 1 390 . 1 1 81 81 TYR H H 1 8.581 0.03 . 1 . . . . 81 Tyr H . 26763 1 391 . 1 1 81 81 TYR C C 13 172.212 0.3 . 1 . . . . 81 Tyr C . 26763 1 392 . 1 1 81 81 TYR CA C 13 58.283 0.3 . 1 . . . . 81 Tyr CA . 26763 1 393 . 1 1 81 81 TYR CB C 13 38.513 0.3 . 1 . . . . 81 Tyr CB . 26763 1 394 . 1 1 81 81 TYR N N 15 129.368 0.3 . 1 . . . . 81 Tyr N . 26763 1 395 . 1 1 82 82 ASN H H 1 8.429 0.03 . 1 . . . . 82 Asn H . 26763 1 396 . 1 1 82 82 ASN C C 13 173.834 0.3 . 1 . . . . 82 Asn C . 26763 1 397 . 1 1 82 82 ASN CA C 13 51.017 0.3 . 1 . . . . 82 Asn CA . 26763 1 398 . 1 1 82 82 ASN CB C 13 41.535 0.3 . 1 . . . . 82 Asn CB . 26763 1 399 . 1 1 82 82 ASN N N 15 121.647 0.3 . 1 . . . . 82 Asn N . 26763 1 400 . 1 1 83 83 MET H H 1 8.541 0.03 . 1 . . . . 83 Met H . 26763 1 401 . 1 1 83 83 MET C C 13 175.241 0.3 . 1 . . . . 83 Met C . 26763 1 402 . 1 1 83 83 MET CA C 13 56.289 0.3 . 1 . . . . 83 Met CA . 26763 1 403 . 1 1 83 83 MET CB C 13 34.487 0.3 . 1 . . . . 83 Met CB . 26763 1 404 . 1 1 83 83 MET N N 15 124.658 0.3 . 1 . . . . 83 Met N . 26763 1 405 . 1 1 84 84 VAL H H 1 8.553 0.03 . 1 . . . . 84 Val H . 26763 1 406 . 1 1 84 84 VAL C C 13 175.669 0.3 . 1 . . . . 84 Val C . 26763 1 407 . 1 1 84 84 VAL CA C 13 60.376 0.3 . 1 . . . . 84 Val CA . 26763 1 408 . 1 1 84 84 VAL CB C 13 36.011 0.3 . 1 . . . . 84 Val CB . 26763 1 409 . 1 1 84 84 VAL N N 15 120.715 0.3 . 1 . . . . 84 Val N . 26763 1 410 . 1 1 85 85 HIS H H 1 7.156 0.03 . 1 . . . . 85 His H . 26763 1 411 . 1 1 85 85 HIS C C 13 172.426 0.3 . 1 . . . . 85 His C . 26763 1 412 . 1 1 85 85 HIS CA C 13 57.247 0.3 . 1 . . . . 85 His CA . 26763 1 413 . 1 1 85 85 HIS CB C 13 32.876 0.3 . 1 . . . . 85 His CB . 26763 1 414 . 1 1 85 85 HIS N N 15 118.857 0.3 . 1 . . . . 85 His N . 26763 1 415 . 1 1 86 86 ARG H H 1 8.638 0.03 . 1 . . . . 86 Arg H . 26763 1 416 . 1 1 86 86 ARG C C 13 174.152 0.3 . 1 . . . . 86 Arg C . 26763 1 417 . 1 1 86 86 ARG CA C 13 55.982 0.3 . 1 . . . . 86 Arg CA . 26763 1 418 . 1 1 86 86 ARG CB C 13 28.568 0.3 . 1 . . . . 86 Arg CB . 26763 1 419 . 1 1 86 86 ARG N N 15 130.947 0.3 . 1 . . . . 86 Arg N . 26763 1 420 . 1 1 87 87 ILE H H 1 8.048 0.03 . 1 . . . . 87 Ile H . 26763 1 421 . 1 1 87 87 ILE C C 13 175.604 0.3 . 1 . . . . 87 Ile C . 26763 1 422 . 1 1 87 87 ILE CA C 13 61.695 0.3 . 1 . . . . 87 Ile CA . 26763 1 423 . 1 1 87 87 ILE CB C 13 37.910 0.3 . 1 . . . . 87 Ile CB . 26763 1 424 . 1 1 87 87 ILE N N 15 128.277 0.3 . 1 . . . . 87 Ile N . 26763 1 425 . 1 1 88 88 ASP H H 1 8.600 0.03 . 1 . . . . 88 Asp H . 26763 1 426 . 1 1 88 88 ASP CA C 13 53.518 0.3 . 1 . . . . 88 Asp CA . 26763 1 427 . 1 1 88 88 ASP CB C 13 40.361 0.3 . 1 . . . . 88 Asp CB . 26763 1 428 . 1 1 88 88 ASP N N 15 116.767 0.3 . 1 . . . . 88 Asp N . 26763 1 429 . 1 1 89 89 SER C C 13 174.990 0.3 . 1 . . . . 89 Ser C . 26763 1 430 . 1 1 89 89 SER CA C 13 61.584 0.3 . 1 . . . . 89 Ser CA . 26763 1 431 . 1 1 89 89 SER CB C 13 63.250 0.3 . 1 . . . . 89 Ser CB . 26763 1 432 . 1 1 90 90 ASP H H 1 8.388 0.03 . 1 . . . . 90 Asp H . 26763 1 433 . 1 1 90 90 ASP C C 13 174.605 0.3 . 1 . . . . 90 Asp C . 26763 1 434 . 1 1 90 90 ASP CA C 13 54.779 0.3 . 1 . . . . 90 Asp CA . 26763 1 435 . 1 1 90 90 ASP CB C 13 43.360 0.3 . 1 . . . . 90 Asp CB . 26763 1 436 . 1 1 90 90 ASP N N 15 121.380 0.3 . 1 . . . . 90 Asp N . 26763 1 437 . 1 1 91 91 THR H H 1 7.195 0.03 . 1 . . . . 91 Thr H . 26763 1 438 . 1 1 91 91 THR C C 13 174.410 0.3 . 1 . . . . 91 Thr C . 26763 1 439 . 1 1 91 91 THR CA C 13 61.643 0.3 . 1 . . . . 91 Thr CA . 26763 1 440 . 1 1 91 91 THR CB C 13 69.053 0.3 . 1 . . . . 91 Thr CB . 26763 1 441 . 1 1 91 91 THR N N 15 114.170 0.3 . 1 . . . . 91 Thr N . 26763 1 442 . 1 1 92 92 PHE H H 1 9.476 0.03 . 1 . . . . 92 Phe H . 26763 1 443 . 1 1 92 92 PHE C C 13 170.559 0.3 . 1 . . . . 92 Phe C . 26763 1 444 . 1 1 92 92 PHE CA C 13 56.216 0.3 . 1 . . . . 92 Phe CA . 26763 1 445 . 1 1 92 92 PHE CB C 13 41.544 0.3 . 1 . . . . 92 Phe CB . 26763 1 446 . 1 1 92 92 PHE N N 15 124.273 0.3 . 1 . . . . 92 Phe N . 26763 1 447 . 1 1 93 93 ILE H H 1 8.878 0.03 . 1 . . . . 93 Ile H . 26763 1 448 . 1 1 93 93 ILE C C 13 174.663 0.3 . 1 . . . . 93 Ile C . 26763 1 449 . 1 1 93 93 ILE CA C 13 58.841 0.3 . 1 . . . . 93 Ile CA . 26763 1 450 . 1 1 93 93 ILE CB C 13 36.602 0.3 . 1 . . . . 93 Ile CB . 26763 1 451 . 1 1 93 93 ILE N N 15 118.483 0.3 . 1 . . . . 93 Ile N . 26763 1 452 . 1 1 94 94 CYS H H 1 9.685 0.03 . 1 . . . . 94 Cys H . 26763 1 453 . 1 1 94 94 CYS C C 13 172.294 0.3 . 1 . . . . 94 Cys C . 26763 1 454 . 1 1 94 94 CYS CA C 13 55.321 0.3 . 1 . . . . 94 Cys CA . 26763 1 455 . 1 1 94 94 CYS CB C 13 31.061 0.3 . 1 . . . . 94 Cys CB . 26763 1 456 . 1 1 94 94 CYS N N 15 130.473 0.3 . 1 . . . . 94 Cys N . 26763 1 457 . 1 1 95 95 HIS H H 1 9.026 0.03 . 1 . . . . 95 His H . 26763 1 458 . 1 1 95 95 HIS C C 13 173.227 0.3 . 1 . . . . 95 His C . 26763 1 459 . 1 1 95 95 HIS CA C 13 54.398 0.3 . 1 . . . . 95 His CA . 26763 1 460 . 1 1 95 95 HIS CB C 13 33.985 0.3 . 1 . . . . 95 His CB . 26763 1 461 . 1 1 95 95 HIS N N 15 126.335 0.3 . 1 . . . . 95 His N . 26763 1 462 . 1 1 96 96 THR H H 1 8.478 0.03 . 1 . . . . 96 Thr H . 26763 1 463 . 1 1 96 96 THR C C 13 174.570 0.3 . 1 . . . . 96 Thr C . 26763 1 464 . 1 1 96 96 THR CA C 13 61.049 0.3 . 1 . . . . 96 Thr CA . 26763 1 465 . 1 1 96 96 THR CB C 13 66.544 0.3 . 1 . . . . 96 Thr CB . 26763 1 466 . 1 1 96 96 THR N N 15 125.555 0.3 . 1 . . . . 96 Thr N . 26763 1 467 . 1 1 97 97 ILE H H 1 8.345 0.03 . 1 . . . . 97 Ile H . 26763 1 468 . 1 1 97 97 ILE C C 13 177.144 0.3 . 1 . . . . 97 Ile C . 26763 1 469 . 1 1 97 97 ILE CA C 13 60.319 0.3 . 1 . . . . 97 Ile CA . 26763 1 470 . 1 1 97 97 ILE CB C 13 40.108 0.3 . 1 . . . . 97 Ile CB . 26763 1 471 . 1 1 97 97 ILE N N 15 123.076 0.3 . 1 . . . . 97 Ile N . 26763 1 472 . 1 1 98 98 THR H H 1 9.438 0.03 . 1 . . . . 98 Thr H . 26763 1 473 . 1 1 98 98 THR C C 13 174.765 0.3 . 1 . . . . 98 Thr C . 26763 1 474 . 1 1 98 98 THR CA C 13 62.193 0.3 . 1 . . . . 98 Thr CA . 26763 1 475 . 1 1 98 98 THR CB C 13 70.342 0.3 . 1 . . . . 98 Thr CB . 26763 1 476 . 1 1 98 98 THR N N 15 119.438 0.3 . 1 . . . . 98 Thr N . 26763 1 477 . 1 1 99 99 GLN H H 1 7.782 0.03 . 1 . . . . 99 Gln H . 26763 1 478 . 1 1 99 99 GLN C C 13 175.903 0.3 . 1 . . . . 99 Gln C . 26763 1 479 . 1 1 99 99 GLN CA C 13 55.422 0.3 . 1 . . . . 99 Gln CA . 26763 1 480 . 1 1 99 99 GLN CB C 13 28.403 0.3 . 1 . . . . 99 Gln CB . 26763 1 481 . 1 1 99 99 GLN N N 15 116.207 0.3 . 1 . . . . 99 Gln N . 26763 1 482 . 1 1 100 100 SER H H 1 8.390 0.03 . 1 . . . . 100 Ser H . 26763 1 483 . 1 1 100 100 SER C C 13 173.215 0.3 . 1 . . . . 100 Ser C . 26763 1 484 . 1 1 100 100 SER CA C 13 58.046 0.3 . 1 . . . . 100 Ser CA . 26763 1 485 . 1 1 100 100 SER CB C 13 63.673 0.3 . 1 . . . . 100 Ser CB . 26763 1 486 . 1 1 100 100 SER N N 15 115.488 0.3 . 1 . . . . 100 Ser N . 26763 1 487 . 1 1 101 101 PHE H H 1 8.492 0.03 . 1 . . . . 101 Phe H . 26763 1 488 . 1 1 101 101 PHE C C 13 175.259 0.3 . 1 . . . . 101 Phe C . 26763 1 489 . 1 1 101 101 PHE CA C 13 56.066 0.3 . 1 . . . . 101 Phe CA . 26763 1 490 . 1 1 101 101 PHE CB C 13 40.546 0.3 . 1 . . . . 101 Phe CB . 26763 1 491 . 1 1 101 101 PHE N N 15 121.243 0.3 . 1 . . . . 101 Phe N . 26763 1 492 . 1 1 102 102 ALA H H 1 8.502 0.03 . 1 . . . . 102 Ala H . 26763 1 493 . 1 1 102 102 ALA C C 13 177.629 0.3 . 1 . . . . 102 Ala C . 26763 1 494 . 1 1 102 102 ALA CA C 13 52.857 0.3 . 1 . . . . 102 Ala CA . 26763 1 495 . 1 1 102 102 ALA CB C 13 17.793 0.3 . 1 . . . . 102 Ala CB . 26763 1 496 . 1 1 102 102 ALA N N 15 123.315 0.3 . 1 . . . . 102 Ala N . 26763 1 497 . 1 1 103 103 VAL H H 1 8.326 0.03 . 1 . . . . 103 Val H . 26763 1 498 . 1 1 103 103 VAL C C 13 176.491 0.3 . 1 . . . . 103 Val C . 26763 1 499 . 1 1 103 103 VAL CA C 13 61.380 0.3 . 1 . . . . 103 Val CA . 26763 1 500 . 1 1 103 103 VAL CB C 13 30.428 0.3 . 1 . . . . 103 Val CB . 26763 1 501 . 1 1 103 103 VAL N N 15 119.607 0.3 . 1 . . . . 103 Val N . 26763 1 502 . 1 1 104 104 GLY H H 1 8.061 0.03 . 1 . . . . 104 Gly H . 26763 1 503 . 1 1 104 104 GLY C C 13 173.993 0.3 . 1 . . . . 104 Gly C . 26763 1 504 . 1 1 104 104 GLY CA C 13 44.691 0.3 . 1 . . . . 104 Gly CA . 26763 1 505 . 1 1 104 104 GLY N N 15 109.878 0.3 . 1 . . . . 104 Gly N . 26763 1 506 . 1 1 105 105 SER H H 1 7.944 0.03 . 1 . . . . 105 Ser H . 26763 1 507 . 1 1 105 105 SER C C 13 174.165 0.3 . 1 . . . . 105 Ser C . 26763 1 508 . 1 1 105 105 SER CA C 13 59.720 0.3 . 1 . . . . 105 Ser CA . 26763 1 509 . 1 1 105 105 SER CB C 13 62.892 0.3 . 1 . . . . 105 Ser CB . 26763 1 510 . 1 1 105 105 SER N N 15 115.152 0.3 . 1 . . . . 105 Ser N . 26763 1 511 . 1 1 106 106 ILE H H 1 7.938 0.03 . 1 . . . . 106 Ile H . 26763 1 512 . 1 1 106 106 ILE C C 13 174.877 0.3 . 1 . . . . 106 Ile C . 26763 1 513 . 1 1 106 106 ILE CA C 13 60.965 0.3 . 1 . . . . 106 Ile CA . 26763 1 514 . 1 1 106 106 ILE CB C 13 38.527 0.3 . 1 . . . . 106 Ile CB . 26763 1 515 . 1 1 106 106 ILE N N 15 121.422 0.3 . 1 . . . . 106 Ile N . 26763 1 516 . 1 1 107 107 SER H H 1 8.359 0.03 . 1 . . . . 107 Ser H . 26763 1 517 . 1 1 107 107 SER CA C 13 57.924 0.3 . 1 . . . . 107 Ser CA . 26763 1 518 . 1 1 107 107 SER CB C 13 62.263 0.3 . 1 . . . . 107 Ser CB . 26763 1 519 . 1 1 107 107 SER N N 15 123.087 0.3 . 1 . . . . 107 Ser N . 26763 1 520 . 1 1 108 108 PRO C C 13 170.101 0.3 . 1 . . . . 108 Pro C . 26763 1 521 . 1 1 108 108 PRO CA C 13 61.815 0.3 . 1 . . . . 108 Pro CA . 26763 1 522 . 1 1 108 108 PRO CB C 13 31.365 0.3 . 1 . . . . 108 Pro CB . 26763 1 523 . 1 1 109 109 ARG H H 1 8.245 0.03 . 1 . . . . 109 Arg H . 26763 1 524 . 1 1 109 109 ARG C C 13 175.872 0.3 . 1 . . . . 109 Arg C . 26763 1 525 . 1 1 109 109 ARG CA C 13 52.365 0.3 . 1 . . . . 109 Arg CA . 26763 1 526 . 1 1 109 109 ARG CB C 13 32.221 0.3 . 1 . . . . 109 Arg CB . 26763 1 527 . 1 1 109 109 ARG N N 15 125.265 0.3 . 1 . . . . 109 Arg N . 26763 1 528 . 1 1 110 110 ASP H H 1 8.765 0.03 . 1 . . . . 110 Asp H . 26763 1 529 . 1 1 110 110 ASP C C 13 173.021 0.3 . 1 . . . . 110 Asp C . 26763 1 530 . 1 1 110 110 ASP CA C 13 53.156 0.3 . 1 . . . . 110 Asp CA . 26763 1 531 . 1 1 110 110 ASP CB C 13 45.221 0.3 . 1 . . . . 110 Asp CB . 26763 1 532 . 1 1 110 110 ASP N N 15 116.894 0.3 . 1 . . . . 110 Asp N . 26763 1 533 . 1 1 111 111 PHE H H 1 8.610 0.03 . 1 . . . . 111 Phe H . 26763 1 534 . 1 1 111 111 PHE C C 13 175.097 0.3 . 1 . . . . 111 Phe C . 26763 1 535 . 1 1 111 111 PHE CA C 13 56.590 0.3 . 1 . . . . 111 Phe CA . 26763 1 536 . 1 1 111 111 PHE CB C 13 42.878 0.3 . 1 . . . . 111 Phe CB . 26763 1 537 . 1 1 111 111 PHE N N 15 114.592 0.3 . 1 . . . . 111 Phe N . 26763 1 538 . 1 1 112 112 ILE H H 1 8.042 0.03 . 1 . . . . 112 Ile H . 26763 1 539 . 1 1 112 112 ILE C C 13 173.921 0.3 . 1 . . . . 112 Ile C . 26763 1 540 . 1 1 112 112 ILE CA C 13 57.441 0.3 . 1 . . . . 112 Ile CA . 26763 1 541 . 1 1 112 112 ILE CB C 13 37.118 0.3 . 1 . . . . 112 Ile CB . 26763 1 542 . 1 1 112 112 ILE N N 15 123.590 0.3 . 1 . . . . 112 Ile N . 26763 1 543 . 1 1 113 113 ASP H H 1 8.172 0.03 . 1 . . . . 113 Asp H . 26763 1 544 . 1 1 113 113 ASP C C 13 173.668 0.3 . 1 . . . . 113 Asp C . 26763 1 545 . 1 1 113 113 ASP CA C 13 52.114 0.3 . 1 . . . . 113 Asp CA . 26763 1 546 . 1 1 113 113 ASP CB C 13 44.113 0.3 . 1 . . . . 113 Asp CB . 26763 1 547 . 1 1 113 113 ASP N N 15 122.923 0.3 . 1 . . . . 113 Asp N . 26763 1 548 . 1 1 114 114 LEU H H 1 8.862 0.03 . 1 . . . . 114 Leu H . 26763 1 549 . 1 1 114 114 LEU C C 13 174.285 0.3 . 1 . . . . 114 Leu C . 26763 1 550 . 1 1 114 114 LEU CA C 13 54.129 0.3 . 1 . . . . 114 Leu CA . 26763 1 551 . 1 1 114 114 LEU CB C 13 44.153 0.3 . 1 . . . . 114 Leu CB . 26763 1 552 . 1 1 114 114 LEU N N 15 123.262 0.3 . 1 . . . . 114 Leu N . 26763 1 553 . 1 1 115 115 VAL H H 1 9.037 0.03 . 1 . . . . 115 Val H . 26763 1 554 . 1 1 115 115 VAL C C 13 173.676 0.3 . 1 . . . . 115 Val C . 26763 1 555 . 1 1 115 115 VAL CA C 13 58.698 0.3 . 1 . . . . 115 Val CA . 26763 1 556 . 1 1 115 115 VAL CB C 13 32.522 0.3 . 1 . . . . 115 Val CB . 26763 1 557 . 1 1 115 115 VAL N N 15 130.600 0.3 . 1 . . . . 115 Val N . 26763 1 558 . 1 1 116 116 TYR H H 1 8.801 0.03 . 1 . . . . 116 Tyr H . 26763 1 559 . 1 1 116 116 TYR C C 13 173.859 0.3 . 1 . . . . 116 Tyr C . 26763 1 560 . 1 1 116 116 TYR CA C 13 53.609 0.3 . 1 . . . . 116 Tyr CA . 26763 1 561 . 1 1 116 116 TYR CB C 13 43.578 0.3 . 1 . . . . 116 Tyr CB . 26763 1 562 . 1 1 116 116 TYR N N 15 126.646 0.3 . 1 . . . . 116 Tyr N . 26763 1 563 . 1 1 117 117 ILE H H 1 8.282 0.03 . 1 . . . . 117 Ile H . 26763 1 564 . 1 1 117 117 ILE CA C 13 57.448 0.3 . 1 . . . . 117 Ile CA . 26763 1 565 . 1 1 117 117 ILE CB C 13 40.840 0.3 . 1 . . . . 117 Ile CB . 26763 1 566 . 1 1 117 117 ILE N N 15 126.458 0.3 . 1 . . . . 117 Ile N . 26763 1 567 . 1 1 118 118 LYS C C 13 173.316 0.3 . 1 . . . . 118 Lys C . 26763 1 568 . 1 1 118 118 LYS CB C 13 35.174 0.3 . 1 . . . . 118 Lys CB . 26763 1 569 . 1 1 119 119 ARG H H 1 8.056 0.03 . 1 . . . . 119 Arg H . 26763 1 570 . 1 1 119 119 ARG C C 13 175.868 0.3 . 1 . . . . 119 Arg C . 26763 1 571 . 1 1 119 119 ARG CA C 13 54.783 0.3 . 1 . . . . 119 Arg CA . 26763 1 572 . 1 1 119 119 ARG CB C 13 30.310 0.3 . 1 . . . . 119 Arg CB . 26763 1 573 . 1 1 119 119 ARG N N 15 125.497 0.3 . 1 . . . . 119 Arg N . 26763 1 574 . 1 1 120 120 TYR H H 1 8.888 0.03 . 1 . . . . 120 Tyr H . 26763 1 575 . 1 1 120 120 TYR C C 13 175.850 0.3 . 1 . . . . 120 Tyr C . 26763 1 576 . 1 1 120 120 TYR CA C 13 57.273 0.3 . 1 . . . . 120 Tyr CA . 26763 1 577 . 1 1 120 120 TYR CB C 13 41.027 0.3 . 1 . . . . 120 Tyr CB . 26763 1 578 . 1 1 120 120 TYR N N 15 122.730 0.3 . 1 . . . . 120 Tyr N . 26763 1 579 . 1 1 121 121 GLU H H 1 8.579 0.03 . 1 . . . . 121 Glu H . 26763 1 580 . 1 1 121 121 GLU C C 13 176.579 0.3 . 1 . . . . 121 Glu C . 26763 1 581 . 1 1 121 121 GLU CA C 13 57.259 0.3 . 1 . . . . 121 Glu CA . 26763 1 582 . 1 1 121 121 GLU CB C 13 29.788 0.3 . 1 . . . . 121 Glu CB . 26763 1 583 . 1 1 121 121 GLU N N 15 119.603 0.3 . 1 . . . . 121 Glu N . 26763 1 584 . 1 1 122 122 GLY H H 1 8.633 0.03 . 1 . . . . 122 Gly H . 26763 1 585 . 1 1 122 122 GLY C C 13 175.239 0.3 . 1 . . . . 122 Gly C . 26763 1 586 . 1 1 122 122 GLY CA C 13 44.722 0.3 . 1 . . . . 122 Gly CA . 26763 1 587 . 1 1 122 122 GLY N N 15 109.293 0.3 . 1 . . . . 122 Gly N . 26763 1 588 . 1 1 123 123 ASN H H 1 8.381 0.03 . 1 . . . . 123 Asn H . 26763 1 589 . 1 1 123 123 ASN C C 13 171.660 0.3 . 1 . . . . 123 Asn C . 26763 1 590 . 1 1 123 123 ASN CA C 13 54.735 0.3 . 1 . . . . 123 Asn CA . 26763 1 591 . 1 1 123 123 ASN CB C 13 37.203 0.3 . 1 . . . . 123 Asn CB . 26763 1 592 . 1 1 123 123 ASN N N 15 112.876 0.3 . 1 . . . . 123 Asn N . 26763 1 593 . 1 1 124 124 MET H H 1 6.457 0.03 . 1 . . . . 124 Met H . 26763 1 594 . 1 1 124 124 MET C C 13 173.852 0.3 . 1 . . . . 124 Met C . 26763 1 595 . 1 1 124 124 MET CA C 13 54.151 0.3 . 1 . . . . 124 Met CA . 26763 1 596 . 1 1 124 124 MET CB C 13 34.701 0.3 . 1 . . . . 124 Met CB . 26763 1 597 . 1 1 124 124 MET N N 15 114.783 0.3 . 1 . . . . 124 Met N . 26763 1 598 . 1 1 125 125 ASN H H 1 8.755 0.03 . 1 . . . . 125 Asn H . 26763 1 599 . 1 1 125 125 ASN C C 13 173.836 0.3 . 1 . . . . 125 Asn C . 26763 1 600 . 1 1 125 125 ASN CA C 13 51.661 0.3 . 1 . . . . 125 Asn CA . 26763 1 601 . 1 1 125 125 ASN CB C 13 42.130 0.3 . 1 . . . . 125 Asn CB . 26763 1 602 . 1 1 125 125 ASN N N 15 124.202 0.3 . 1 . . . . 125 Asn N . 26763 1 603 . 1 1 126 126 ILE H H 1 9.105 0.03 . 1 . . . . 126 Ile H . 26763 1 604 . 1 1 126 126 ILE C C 13 175.736 0.3 . 1 . . . . 126 Ile C . 26763 1 605 . 1 1 126 126 ILE CA C 13 60.389 0.3 . 1 . . . . 126 Ile CA . 26763 1 606 . 1 1 126 126 ILE CB C 13 41.510 0.3 . 1 . . . . 126 Ile CB . 26763 1 607 . 1 1 126 126 ILE N N 15 120.953 0.3 . 1 . . . . 126 Ile N . 26763 1 608 . 1 1 127 127 ILE H H 1 9.404 0.03 . 1 . . . . 127 Ile H . 26763 1 609 . 1 1 127 127 ILE C C 13 175.068 0.3 . 1 . . . . 127 Ile C . 26763 1 610 . 1 1 127 127 ILE CA C 13 60.687 0.3 . 1 . . . . 127 Ile CA . 26763 1 611 . 1 1 127 127 ILE CB C 13 39.777 0.3 . 1 . . . . 127 Ile CB . 26763 1 612 . 1 1 127 127 ILE N N 15 131.599 0.3 . 1 . . . . 127 Ile N . 26763 1 613 . 1 1 128 128 SER H H 1 9.881 0.03 . 1 . . . . 128 Ser H . 26763 1 614 . 1 1 128 128 SER C C 13 172.841 0.3 . 1 . . . . 128 Ser C . 26763 1 615 . 1 1 128 128 SER CA C 13 56.495 0.3 . 1 . . . . 128 Ser CA . 26763 1 616 . 1 1 128 128 SER CB C 13 66.697 0.3 . 1 . . . . 128 Ser CB . 26763 1 617 . 1 1 128 128 SER N N 15 122.619 0.3 . 1 . . . . 128 Ser N . 26763 1 618 . 1 1 129 129 SER H H 1 8.703 0.03 . 1 . . . . 129 Ser H . 26763 1 619 . 1 1 129 129 SER C C 13 172.567 0.3 . 1 . . . . 129 Ser C . 26763 1 620 . 1 1 129 129 SER CA C 13 57.095 0.3 . 1 . . . . 129 Ser CA . 26763 1 621 . 1 1 129 129 SER CB C 13 66.567 0.3 . 1 . . . . 129 Ser CB . 26763 1 622 . 1 1 129 129 SER N N 15 114.068 0.3 . 1 . . . . 129 Ser N . 26763 1 623 . 1 1 130 130 LYS H H 1 7.689 0.03 . 1 . . . . 130 Lys H . 26763 1 624 . 1 1 130 130 LYS C C 13 174.648 0.3 . 1 . . . . 130 Lys C . 26763 1 625 . 1 1 130 130 LYS CA C 13 55.722 0.3 . 1 . . . . 130 Lys CA . 26763 1 626 . 1 1 130 130 LYS CB C 13 36.023 0.3 . 1 . . . . 130 Lys CB . 26763 1 627 . 1 1 130 130 LYS N N 15 118.287 0.3 . 1 . . . . 130 Lys N . 26763 1 628 . 1 1 131 131 SER H H 1 9.309 0.03 . 1 . . . . 131 Ser H . 26763 1 629 . 1 1 131 131 SER C C 13 172.452 0.3 . 1 . . . . 131 Ser C . 26763 1 630 . 1 1 131 131 SER CA C 13 57.915 0.3 . 1 . . . . 131 Ser CA . 26763 1 631 . 1 1 131 131 SER CB C 13 59.738 0.3 . 1 . . . . 131 Ser CB . 26763 1 632 . 1 1 131 131 SER N N 15 123.105 0.3 . 1 . . . . 131 Ser N . 26763 1 633 . 1 1 132 132 VAL H H 1 7.983 0.03 . 1 . . . . 132 Val H . 26763 1 634 . 1 1 132 132 VAL C C 13 174.318 0.3 . 1 . . . . 132 Val C . 26763 1 635 . 1 1 132 132 VAL CA C 13 60.000 0.3 . 1 . . . . 132 Val CA . 26763 1 636 . 1 1 132 132 VAL CB C 13 33.241 0.3 . 1 . . . . 132 Val CB . 26763 1 637 . 1 1 132 132 VAL N N 15 111.094 0.3 . 1 . . . . 132 Val N . 26763 1 638 . 1 1 133 133 ASP H H 1 8.094 0.03 . 1 . . . . 133 Asp H . 26763 1 639 . 1 1 133 133 ASP C C 13 175.114 0.3 . 1 . . . . 133 Asp C . 26763 1 640 . 1 1 133 133 ASP CA C 13 54.111 0.3 . 1 . . . . 133 Asp CA . 26763 1 641 . 1 1 133 133 ASP CB C 13 41.615 0.3 . 1 . . . . 133 Asp CB . 26763 1 642 . 1 1 133 133 ASP N N 15 120.764 0.3 . 1 . . . . 133 Asp N . 26763 1 643 . 1 1 134 134 PHE H H 1 8.694 0.03 . 1 . . . . 134 Phe H . 26763 1 644 . 1 1 134 134 PHE CA C 13 54.150 0.3 . 1 . . . . 134 Phe CA . 26763 1 645 . 1 1 134 134 PHE CB C 13 42.255 0.3 . 1 . . . . 134 Phe CB . 26763 1 646 . 1 1 134 134 PHE N N 15 125.048 0.3 . 1 . . . . 134 Phe N . 26763 1 647 . 1 1 135 135 PRO C C 13 176.329 0.3 . 1 . . . . 135 Pro C . 26763 1 648 . 1 1 135 135 PRO CA C 13 64.886 0.3 . 1 . . . . 135 Pro CA . 26763 1 649 . 1 1 135 135 PRO CB C 13 32.487 0.3 . 1 . . . . 135 Pro CB . 26763 1 650 . 1 1 136 136 GLU H H 1 7.082 0.03 . 1 . . . . 136 Glu H . 26763 1 651 . 1 1 136 136 GLU C C 13 175.105 0.3 . 1 . . . . 136 Glu C . 26763 1 652 . 1 1 136 136 GLU CA C 13 57.735 0.3 . 1 . . . . 136 Glu CA . 26763 1 653 . 1 1 136 136 GLU CB C 13 29.762 0.3 . 1 . . . . 136 Glu CB . 26763 1 654 . 1 1 136 136 GLU N N 15 114.611 0.3 . 1 . . . . 136 Glu N . 26763 1 655 . 1 1 137 137 TYR H H 1 8.023 0.03 . 1 . . . . 137 Tyr H . 26763 1 656 . 1 1 137 137 TYR CA C 13 55.995 0.3 . 1 . . . . 137 Tyr CA . 26763 1 657 . 1 1 137 137 TYR CB C 13 40.389 0.3 . 1 . . . . 137 Tyr CB . 26763 1 658 . 1 1 137 137 TYR N N 15 117.289 0.3 . 1 . . . . 137 Tyr N . 26763 1 659 . 1 1 139 139 PRO C C 13 175.864 0.3 . 1 . . . . 139 Pro C . 26763 1 660 . 1 1 139 139 PRO CA C 13 64.110 0.3 . 1 . . . . 139 Pro CA . 26763 1 661 . 1 1 139 139 PRO CB C 13 31.509 0.3 . 1 . . . . 139 Pro CB . 26763 1 662 . 1 1 140 140 SER H H 1 9.507 0.03 . 1 . . . . 140 Ser H . 26763 1 663 . 1 1 140 140 SER C C 13 174.492 0.3 . 1 . . . . 140 Ser C . 26763 1 664 . 1 1 140 140 SER CA C 13 56.597 0.3 . 1 . . . . 140 Ser CA . 26763 1 665 . 1 1 140 140 SER CB C 13 66.525 0.3 . 1 . . . . 140 Ser CB . 26763 1 666 . 1 1 140 140 SER N N 15 120.423 0.3 . 1 . . . . 140 Ser N . 26763 1 667 . 1 1 141 141 SER H H 1 8.439 0.03 . 1 . . . . 141 Ser H . 26763 1 668 . 1 1 141 141 SER C C 13 175.098 0.3 . 1 . . . . 141 Ser C . 26763 1 669 . 1 1 141 141 SER CA C 13 59.502 0.3 . 1 . . . . 141 Ser CA . 26763 1 670 . 1 1 141 141 SER CB C 13 62.933 0.3 . 1 . . . . 141 Ser CB . 26763 1 671 . 1 1 141 141 SER N N 15 114.360 0.3 . 1 . . . . 141 Ser N . 26763 1 672 . 1 1 142 142 ASN H H 1 7.886 0.03 . 1 . . . . 142 Asn H . 26763 1 673 . 1 1 142 142 ASN C C 13 173.533 0.3 . 1 . . . . 142 Asn C . 26763 1 674 . 1 1 142 142 ASN CA C 13 54.756 0.3 . 1 . . . . 142 Asn CA . 26763 1 675 . 1 1 142 142 ASN CB C 13 38.691 0.3 . 1 . . . . 142 Asn CB . 26763 1 676 . 1 1 142 142 ASN N N 15 117.150 0.3 . 1 . . . . 142 Asn N . 26763 1 677 . 1 1 143 143 TYR H H 1 6.891 0.03 . 1 . . . . 143 Tyr H . 26763 1 678 . 1 1 143 143 TYR C C 13 174.943 0.3 . 1 . . . . 143 Tyr C . 26763 1 679 . 1 1 143 143 TYR CA C 13 54.754 0.3 . 1 . . . . 143 Tyr CA . 26763 1 680 . 1 1 143 143 TYR CB C 13 41.644 0.3 . 1 . . . . 143 Tyr CB . 26763 1 681 . 1 1 143 143 TYR N N 15 113.595 0.3 . 1 . . . . 143 Tyr N . 26763 1 682 . 1 1 144 144 ILE H H 1 7.398 0.03 . 1 . . . . 144 Ile H . 26763 1 683 . 1 1 144 144 ILE C C 13 174.769 0.3 . 1 . . . . 144 Ile C . 26763 1 684 . 1 1 144 144 ILE CA C 13 60.393 0.3 . 1 . . . . 144 Ile CA . 26763 1 685 . 1 1 144 144 ILE CB C 13 38.051 0.3 . 1 . . . . 144 Ile CB . 26763 1 686 . 1 1 144 144 ILE N N 15 123.179 0.3 . 1 . . . . 144 Ile N . 26763 1 687 . 1 1 145 145 ARG H H 1 8.401 0.03 . 1 . . . . 145 Arg H . 26763 1 688 . 1 1 145 145 ARG C C 13 176.166 0.3 . 1 . . . . 145 Arg C . 26763 1 689 . 1 1 145 145 ARG CA C 13 56.520 0.3 . 1 . . . . 145 Arg CA . 26763 1 690 . 1 1 145 145 ARG CB C 13 30.010 0.3 . 1 . . . . 145 Arg CB . 26763 1 691 . 1 1 145 145 ARG N N 15 130.002 0.3 . 1 . . . . 145 Arg N . 26763 1 692 . 1 1 146 146 GLY H H 1 8.473 0.03 . 1 . . . . 146 Gly H . 26763 1 693 . 1 1 146 146 GLY C C 13 171.349 0.3 . 1 . . . . 146 Gly C . 26763 1 694 . 1 1 146 146 GLY CA C 13 44.092 0.3 . 1 . . . . 146 Gly CA . 26763 1 695 . 1 1 146 146 GLY N N 15 117.095 0.3 . 1 . . . . 146 Gly N . 26763 1 696 . 1 1 147 147 TYR H H 1 8.729 0.03 . 1 . . . . 147 Tyr H . 26763 1 697 . 1 1 147 147 TYR C C 13 172.951 0.3 . 1 . . . . 147 Tyr C . 26763 1 698 . 1 1 147 147 TYR CA C 13 58.658 0.3 . 1 . . . . 147 Tyr CA . 26763 1 699 . 1 1 147 147 TYR CB C 13 42.036 0.3 . 1 . . . . 147 Tyr CB . 26763 1 700 . 1 1 147 147 TYR N N 15 119.497 0.3 . 1 . . . . 147 Tyr N . 26763 1 701 . 1 1 148 148 ASN H H 1 9.156 0.03 . 1 . . . . 148 Asn H . 26763 1 702 . 1 1 148 148 ASN C C 13 173.815 0.3 . 1 . . . . 148 Asn C . 26763 1 703 . 1 1 148 148 ASN CA C 13 52.804 0.3 . 1 . . . . 148 Asn CA . 26763 1 704 . 1 1 148 148 ASN CB C 13 37.810 0.3 . 1 . . . . 148 Asn CB . 26763 1 705 . 1 1 148 148 ASN N N 15 126.407 0.3 . 1 . . . . 148 Asn N . 26763 1 706 . 1 1 149 149 HIS H H 1 7.888 0.03 . 1 . . . . 149 His H . 26763 1 707 . 1 1 149 149 HIS CA C 13 55.983 0.3 . 1 . . . . 149 His CA . 26763 1 708 . 1 1 149 149 HIS CB C 13 30.355 0.3 . 1 . . . . 149 His CB . 26763 1 709 . 1 1 149 149 HIS N N 15 125.652 0.3 . 1 . . . . 149 His N . 26763 1 710 . 1 1 150 150 PRO C C 13 174.467 0.3 . 1 . . . . 150 Pro C . 26763 1 711 . 1 1 150 150 PRO CA C 13 63.435 0.3 . 1 . . . . 150 Pro CA . 26763 1 712 . 1 1 151 151 CYS H H 1 8.483 0.03 . 1 . . . . 151 Cys H . 26763 1 713 . 1 1 151 151 CYS C C 13 172.339 0.3 . 1 . . . . 151 Cys C . 26763 1 714 . 1 1 151 151 CYS CA C 13 55.992 0.3 . 1 . . . . 151 Cys CA . 26763 1 715 . 1 1 151 151 CYS CB C 13 29.934 0.3 . 1 . . . . 151 Cys CB . 26763 1 716 . 1 1 151 151 CYS N N 15 118.270 0.3 . 1 . . . . 151 Cys N . 26763 1 717 . 1 1 152 152 GLY H H 1 8.474 0.03 . 1 . . . . 152 Gly H . 26763 1 718 . 1 1 152 152 GLY C C 13 171.465 0.3 . 1 . . . . 152 Gly C . 26763 1 719 . 1 1 152 152 GLY CA C 13 46.020 0.3 . 1 . . . . 152 Gly CA . 26763 1 720 . 1 1 152 152 GLY N N 15 104.169 0.3 . 1 . . . . 152 Gly N . 26763 1 721 . 1 1 153 153 PHE H H 1 9.225 0.03 . 1 . . . . 153 Phe H . 26763 1 722 . 1 1 153 153 PHE C C 13 174.262 0.3 . 1 . . . . 153 Phe C . 26763 1 723 . 1 1 153 153 PHE CA C 13 55.653 0.3 . 1 . . . . 153 Phe CA . 26763 1 724 . 1 1 153 153 PHE CB C 13 42.269 0.3 . 1 . . . . 153 Phe CB . 26763 1 725 . 1 1 153 153 PHE N N 15 116.934 0.3 . 1 . . . . 153 Phe N . 26763 1 726 . 1 1 154 154 VAL H H 1 9.968 0.03 . 1 . . . . 154 Val H . 26763 1 727 . 1 1 154 154 VAL C C 13 175.726 0.3 . 1 . . . . 154 Val C . 26763 1 728 . 1 1 154 154 VAL CA C 13 61.344 0.3 . 1 . . . . 154 Val CA . 26763 1 729 . 1 1 154 154 VAL CB C 13 33.506 0.3 . 1 . . . . 154 Val CB . 26763 1 730 . 1 1 154 154 VAL N N 15 123.441 0.3 . 1 . . . . 154 Val N . 26763 1 731 . 1 1 155 155 CYS H H 1 9.001 0.03 . 1 . . . . 155 Cys H . 26763 1 732 . 1 1 155 155 CYS C C 13 173.141 0.3 . 1 . . . . 155 Cys C . 26763 1 733 . 1 1 155 155 CYS CA C 13 56.060 0.3 . 1 . . . . 155 Cys CA . 26763 1 734 . 1 1 155 155 CYS CB C 13 30.388 0.3 . 1 . . . . 155 Cys CB . 26763 1 735 . 1 1 155 155 CYS N N 15 125.695 0.3 . 1 . . . . 155 Cys N . 26763 1 736 . 1 1 156 156 SER H H 1 8.527 0.03 . 1 . . . . 156 Ser H . 26763 1 737 . 1 1 156 156 SER CA C 13 56.607 0.3 . 1 . . . . 156 Ser CA . 26763 1 738 . 1 1 156 156 SER CB C 13 63.503 0.3 . 1 . . . . 156 Ser CB . 26763 1 739 . 1 1 156 156 SER N N 15 118.549 0.3 . 1 . . . . 156 Ser N . 26763 1 740 . 1 1 157 157 PRO C C 13 177.174 0.3 . 1 . . . . 157 Pro C . 26763 1 741 . 1 1 157 157 PRO CA C 13 62.821 0.3 . 1 . . . . 157 Pro CA . 26763 1 742 . 1 1 158 158 MET H H 1 8.186 0.03 . 1 . . . . 158 Met H . 26763 1 743 . 1 1 158 158 MET C C 13 177.137 0.3 . 1 . . . . 158 Met C . 26763 1 744 . 1 1 158 158 MET CA C 13 55.688 0.3 . 1 . . . . 158 Met CA . 26763 1 745 . 1 1 158 158 MET CB C 13 31.351 0.3 . 1 . . . . 158 Met CB . 26763 1 746 . 1 1 158 158 MET N N 15 124.299 0.3 . 1 . . . . 158 Met N . 26763 1 747 . 1 1 159 159 GLU H H 1 9.010 0.03 . 1 . . . . 159 Glu H . 26763 1 748 . 1 1 159 159 GLU C C 13 178.063 0.3 . 1 . . . . 159 Glu C . 26763 1 749 . 1 1 159 159 GLU CA C 13 59.999 0.3 . 1 . . . . 159 Glu CA . 26763 1 750 . 1 1 159 159 GLU CB C 13 28.571 0.3 . 1 . . . . 159 Glu CB . 26763 1 751 . 1 1 159 159 GLU N N 15 127.552 0.3 . 1 . . . . 159 Glu N . 26763 1 752 . 1 1 160 160 GLU H H 1 8.853 0.03 . 1 . . . . 160 Glu H . 26763 1 753 . 1 1 160 160 GLU C C 13 176.368 0.3 . 1 . . . . 160 Glu C . 26763 1 754 . 1 1 160 160 GLU CA C 13 57.250 0.3 . 1 . . . . 160 Glu CA . 26763 1 755 . 1 1 160 160 GLU CB C 13 29.653 0.3 . 1 . . . . 160 Glu CB . 26763 1 756 . 1 1 160 160 GLU N N 15 114.605 0.3 . 1 . . . . 160 Glu N . 26763 1 757 . 1 1 161 161 ASN H H 1 6.896 0.03 . 1 . . . . 161 Asn H . 26763 1 758 . 1 1 161 161 ASN CA C 13 51.055 0.3 . 1 . . . . 161 Asn CA . 26763 1 759 . 1 1 161 161 ASN CB C 13 38.468 0.3 . 1 . . . . 161 Asn CB . 26763 1 760 . 1 1 161 161 ASN N N 15 112.462 0.3 . 1 . . . . 161 Asn N . 26763 1 761 . 1 1 162 162 PRO C C 13 175.424 0.3 . 1 . . . . 162 Pro C . 26763 1 762 . 1 1 162 162 PRO CA C 13 64.102 0.3 . 1 . . . . 162 Pro CA . 26763 1 763 . 1 1 162 162 PRO CB C 13 32.218 0.3 . 1 . . . . 162 Pro CB . 26763 1 764 . 1 1 163 163 ALA H H 1 7.325 0.03 . 1 . . . . 163 Ala H . 26763 1 765 . 1 1 163 163 ALA C C 13 175.743 0.3 . 1 . . . . 163 Ala C . 26763 1 766 . 1 1 163 163 ALA CA C 13 52.272 0.3 . 1 . . . . 163 Ala CA . 26763 1 767 . 1 1 163 163 ALA CB C 13 18.432 0.3 . 1 . . . . 163 Ala CB . 26763 1 768 . 1 1 163 163 ALA N N 15 119.310 0.3 . 1 . . . . 163 Ala N . 26763 1 769 . 1 1 164 164 TYR H H 1 7.968 0.03 . 1 . . . . 164 Tyr H . 26763 1 770 . 1 1 164 164 TYR C C 13 175.362 0.3 . 1 . . . . 164 Tyr C . 26763 1 771 . 1 1 164 164 TYR CA C 13 53.126 0.3 . 1 . . . . 164 Tyr CA . 26763 1 772 . 1 1 164 164 TYR CB C 13 39.732 0.3 . 1 . . . . 164 Tyr CB . 26763 1 773 . 1 1 164 164 TYR N N 15 117.568 0.3 . 1 . . . . 164 Tyr N . 26763 1 774 . 1 1 165 165 SER H H 1 8.470 0.03 . 1 . . . . 165 Ser H . 26763 1 775 . 1 1 165 165 SER C C 13 173.965 0.3 . 1 . . . . 165 Ser C . 26763 1 776 . 1 1 165 165 SER CA C 13 58.553 0.3 . 1 . . . . 165 Ser CA . 26763 1 777 . 1 1 165 165 SER CB C 13 67.781 0.3 . 1 . . . . 165 Ser CB . 26763 1 778 . 1 1 165 165 SER N N 15 113.156 0.3 . 1 . . . . 165 Ser N . 26763 1 779 . 1 1 166 166 LYS H H 1 8.990 0.03 . 1 . . . . 166 Lys H . 26763 1 780 . 1 1 166 166 LYS C C 13 174.467 0.3 . 1 . . . . 166 Lys C . 26763 1 781 . 1 1 166 166 LYS CA C 13 55.300 0.3 . 1 . . . . 166 Lys CA . 26763 1 782 . 1 1 166 166 LYS CB C 13 34.064 0.3 . 1 . . . . 166 Lys CB . 26763 1 783 . 1 1 166 166 LYS N N 15 124.146 0.3 . 1 . . . . 166 Lys N . 26763 1 784 . 1 1 167 167 LEU H H 1 8.632 0.03 . 1 . . . . 167 Leu H . 26763 1 785 . 1 1 167 167 LEU C C 13 174.003 0.3 . 1 . . . . 167 Leu C . 26763 1 786 . 1 1 167 167 LEU CA C 13 52.921 0.3 . 1 . . . . 167 Leu CA . 26763 1 787 . 1 1 167 167 LEU CB C 13 43.641 0.3 . 1 . . . . 167 Leu CB . 26763 1 788 . 1 1 167 167 LEU N N 15 129.294 0.3 . 1 . . . . 167 Leu N . 26763 1 789 . 1 1 168 168 VAL H H 1 8.690 0.03 . 1 . . . . 168 Val H . 26763 1 790 . 1 1 168 168 VAL C C 13 173.878 0.3 . 1 . . . . 168 Val C . 26763 1 791 . 1 1 168 168 VAL CA C 13 60.038 0.3 . 1 . . . . 168 Val CA . 26763 1 792 . 1 1 168 168 VAL CB C 13 33.845 0.3 . 1 . . . . 168 Val CB . 26763 1 793 . 1 1 168 168 VAL N N 15 125.473 0.3 . 1 . . . . 168 Val N . 26763 1 794 . 1 1 169 169 MET H H 1 9.256 0.03 . 1 . . . . 169 Met H . 26763 1 795 . 1 1 169 169 MET C C 13 173.851 0.3 . 1 . . . . 169 Met C . 26763 1 796 . 1 1 169 169 MET CA C 13 52.412 0.3 . 1 . . . . 169 Met CA . 26763 1 797 . 1 1 169 169 MET CB C 13 36.129 0.3 . 1 . . . . 169 Met CB . 26763 1 798 . 1 1 169 169 MET N N 15 127.696 0.3 . 1 . . . . 169 Met N . 26763 1 799 . 1 1 170 170 PHE H H 1 9.300 0.03 . 1 . . . . 170 Phe H . 26763 1 800 . 1 1 170 170 PHE C C 13 175.554 0.3 . 1 . . . . 170 Phe C . 26763 1 801 . 1 1 170 170 PHE CA C 13 53.751 0.3 . 1 . . . . 170 Phe CA . 26763 1 802 . 1 1 170 170 PHE CB C 13 41.644 0.3 . 1 . . . . 170 Phe CB . 26763 1 803 . 1 1 170 170 PHE N N 15 123.664 0.3 . 1 . . . . 170 Phe N . 26763 1 804 . 1 1 171 171 VAL H H 1 9.025 0.03 . 1 . . . . 171 Val H . 26763 1 805 . 1 1 171 171 VAL C C 13 173.318 0.3 . 1 . . . . 171 Val C . 26763 1 806 . 1 1 171 171 VAL CA C 13 59.352 0.3 . 1 . . . . 171 Val CA . 26763 1 807 . 1 1 171 171 VAL CB C 13 35.772 0.3 . 1 . . . . 171 Val CB . 26763 1 808 . 1 1 171 171 VAL N N 15 122.500 0.3 . 1 . . . . 171 Val N . 26763 1 809 . 1 1 172 172 GLN H H 1 9.217 0.03 . 1 . . . . 172 Gln H . 26763 1 810 . 1 1 172 172 GLN C C 13 173.696 0.3 . 1 . . . . 172 Gln C . 26763 1 811 . 1 1 172 172 GLN CA C 13 54.598 0.3 . 1 . . . . 172 Gln CA . 26763 1 812 . 1 1 172 172 GLN CB C 13 29.283 0.3 . 1 . . . . 172 Gln CB . 26763 1 813 . 1 1 172 172 GLN N N 15 135.250 0.3 . 1 . . . . 172 Gln N . 26763 1 814 . 1 1 173 173 THR H H 1 8.541 0.03 . 1 . . . . 173 Thr H . 26763 1 815 . 1 1 173 173 THR C C 13 171.989 0.3 . 1 . . . . 173 Thr C . 26763 1 816 . 1 1 173 173 THR CA C 13 62.929 0.3 . 1 . . . . 173 Thr CA . 26763 1 817 . 1 1 173 173 THR CB C 13 71.375 0.3 . 1 . . . . 173 Thr CB . 26763 1 818 . 1 1 173 173 THR N N 15 119.625 0.3 . 1 . . . . 173 Thr N . 26763 1 819 . 1 1 174 174 GLU H H 1 9.156 0.03 . 1 . . . . 174 Glu H . 26763 1 820 . 1 1 174 174 GLU C C 13 175.604 0.3 . 1 . . . . 174 Glu C . 26763 1 821 . 1 1 174 174 GLU CA C 13 54.671 0.3 . 1 . . . . 174 Glu CA . 26763 1 822 . 1 1 174 174 GLU CB C 13 30.398 0.3 . 1 . . . . 174 Glu CB . 26763 1 823 . 1 1 174 174 GLU N N 15 127.883 0.3 . 1 . . . . 174 Glu N . 26763 1 824 . 1 1 175 175 MET H H 1 8.769 0.03 . 1 . . . . 175 Met H . 26763 1 825 . 1 1 175 175 MET C C 13 176.752 0.3 . 1 . . . . 175 Met C . 26763 1 826 . 1 1 175 175 MET CA C 13 56.045 0.3 . 1 . . . . 175 Met CA . 26763 1 827 . 1 1 175 175 MET CB C 13 32.580 0.3 . 1 . . . . 175 Met CB . 26763 1 828 . 1 1 175 175 MET N N 15 124.313 0.3 . 1 . . . . 175 Met N . 26763 1 829 . 1 1 176 176 ARG H H 1 8.508 0.03 . 1 . . . . 176 Arg H . 26763 1 830 . 1 1 176 176 ARG C C 13 176.183 0.3 . 1 . . . . 176 Arg C . 26763 1 831 . 1 1 176 176 ARG CA C 13 56.969 0.3 . 1 . . . . 176 Arg CA . 26763 1 832 . 1 1 176 176 ARG CB C 13 27.171 0.3 . 1 . . . . 176 Arg CB . 26763 1 833 . 1 1 176 176 ARG N N 15 111.435 0.3 . 1 . . . . 176 Arg N . 26763 1 834 . 1 1 177 177 GLY H H 1 8.485 0.03 . 1 . . . . 177 Gly H . 26763 1 835 . 1 1 177 177 GLY CA C 13 45.918 0.3 . 1 . . . . 177 Gly CA . 26763 1 836 . 1 1 177 177 GLY N N 15 108.903 0.3 . 1 . . . . 177 Gly N . 26763 1 837 . 1 1 178 178 LYS C C 13 175.850 0.3 . 1 . . . . 178 Lys C . 26763 1 838 . 1 1 178 178 LYS CB C 13 31.534 0.3 . 1 . . . . 178 Lys CB . 26763 1 839 . 1 1 179 179 LEU H H 1 7.205 0.03 . 1 . . . . 179 Leu H . 26763 1 840 . 1 1 179 179 LEU C C 13 176.480 0.3 . 1 . . . . 179 Leu C . 26763 1 841 . 1 1 179 179 LEU CA C 13 54.759 0.3 . 1 . . . . 179 Leu CA . 26763 1 842 . 1 1 179 179 LEU CB C 13 42.913 0.3 . 1 . . . . 179 Leu CB . 26763 1 843 . 1 1 179 179 LEU N N 15 122.148 0.3 . 1 . . . . 179 Leu N . 26763 1 844 . 1 1 180 180 SER H H 1 8.387 0.03 . 1 . . . . 180 Ser H . 26763 1 845 . 1 1 180 180 SER CA C 13 58.795 0.3 . 1 . . . . 180 Ser CA . 26763 1 846 . 1 1 180 180 SER CB C 13 63.458 0.3 . 1 . . . . 180 Ser CB . 26763 1 847 . 1 1 180 180 SER N N 15 121.616 0.3 . 1 . . . . 180 Ser N . 26763 1 848 . 1 1 182 182 SER C C 13 176.681 0.3 . 1 . . . . 182 Ser C . 26763 1 849 . 1 1 182 182 SER CA C 13 61.042 0.3 . 1 . . . . 182 Ser CA . 26763 1 850 . 1 1 183 183 ILE H H 1 7.405 0.03 . 1 . . . . 183 Ile H . 26763 1 851 . 1 1 183 183 ILE C C 13 179.139 0.3 . 1 . . . . 183 Ile C . 26763 1 852 . 1 1 183 183 ILE CA C 13 63.503 0.3 . 1 . . . . 183 Ile CA . 26763 1 853 . 1 1 183 183 ILE CB C 13 37.852 0.3 . 1 . . . . 183 Ile CB . 26763 1 854 . 1 1 183 183 ILE N N 15 122.130 0.3 . 1 . . . . 183 Ile N . 26763 1 855 . 1 1 184 184 ILE H H 1 7.494 0.03 . 1 . . . . 184 Ile H . 26763 1 856 . 1 1 184 184 ILE C C 13 177.709 0.3 . 1 . . . . 184 Ile C . 26763 1 857 . 1 1 184 184 ILE CA C 13 63.966 0.3 . 1 . . . . 184 Ile CA . 26763 1 858 . 1 1 184 184 ILE CB C 13 37.605 0.3 . 1 . . . . 184 Ile CB . 26763 1 859 . 1 1 184 184 ILE N N 15 122.769 0.3 . 1 . . . . 184 Ile N . 26763 1 860 . 1 1 185 185 GLU H H 1 8.180 0.03 . 1 . . . . 185 Glu H . 26763 1 861 . 1 1 185 185 GLU C C 13 178.096 0.3 . 1 . . . . 185 Glu C . 26763 1 862 . 1 1 185 185 GLU CA C 13 59.116 0.3 . 1 . . . . 185 Glu CA . 26763 1 863 . 1 1 185 185 GLU CB C 13 29.721 0.3 . 1 . . . . 185 Glu CB . 26763 1 864 . 1 1 185 185 GLU N N 15 118.281 0.3 . 1 . . . . 185 Glu N . 26763 1 865 . 1 1 186 186 LYS H H 1 7.365 0.03 . 1 . . . . 186 Lys H . 26763 1 866 . 1 1 186 186 LYS C C 13 175.375 0.3 . 1 . . . . 186 Lys C . 26763 1 867 . 1 1 186 186 LYS CA C 13 57.809 0.3 . 1 . . . . 186 Lys CA . 26763 1 868 . 1 1 186 186 LYS CB C 13 31.933 0.3 . 1 . . . . 186 Lys CB . 26763 1 869 . 1 1 186 186 LYS N N 15 114.558 0.3 . 1 . . . . 186 Lys N . 26763 1 870 . 1 1 187 187 THR H H 1 7.611 0.03 . 1 . . . . 187 Thr H . 26763 1 871 . 1 1 187 187 THR C C 13 172.897 0.3 . 1 . . . . 187 Thr C . 26763 1 872 . 1 1 187 187 THR CA C 13 64.604 0.3 . 1 . . . . 187 Thr CA . 26763 1 873 . 1 1 187 187 THR CB C 13 66.752 0.3 . 1 . . . . 187 Thr CB . 26763 1 874 . 1 1 187 187 THR N N 15 112.256 0.3 . 1 . . . . 187 Thr N . 26763 1 875 . 1 1 188 188 MET H H 1 8.378 0.03 . 1 . . . . 188 Met H . 26763 1 876 . 1 1 188 188 MET CA C 13 55.987 0.3 . 1 . . . . 188 Met CA . 26763 1 877 . 1 1 188 188 MET CB C 13 30.325 0.3 . 1 . . . . 188 Met CB . 26763 1 878 . 1 1 188 188 MET N N 15 120.439 0.3 . 1 . . . . 188 Met N . 26763 1 879 . 1 1 189 189 PRO C C 13 177.732 0.3 . 1 . . . . 189 Pro C . 26763 1 880 . 1 1 189 189 PRO CA C 13 63.931 0.3 . 1 . . . . 189 Pro CA . 26763 1 881 . 1 1 189 189 PRO CB C 13 33.509 0.3 . 1 . . . . 189 Pro CB . 26763 1 882 . 1 1 190 190 SER H H 1 7.701 0.03 . 1 . . . . 190 Ser H . 26763 1 883 . 1 1 190 190 SER C C 13 176.056 0.3 . 1 . . . . 190 Ser C . 26763 1 884 . 1 1 190 190 SER CA C 13 62.798 0.3 . 1 . . . . 190 Ser CA . 26763 1 885 . 1 1 190 190 SER CB C 13 64.730 0.3 . 1 . . . . 190 Ser CB . 26763 1 886 . 1 1 190 190 SER N N 15 111.049 0.3 . 1 . . . . 190 Ser N . 26763 1 887 . 1 1 191 191 ASN H H 1 7.552 0.03 . 1 . . . . 191 Asn H . 26763 1 888 . 1 1 191 191 ASN C C 13 178.220 0.3 . 1 . . . . 191 Asn C . 26763 1 889 . 1 1 191 191 ASN CA C 13 55.832 0.3 . 1 . . . . 191 Asn CA . 26763 1 890 . 1 1 191 191 ASN CB C 13 37.979 0.3 . 1 . . . . 191 Asn CB . 26763 1 891 . 1 1 191 191 ASN N N 15 120.146 0.3 . 1 . . . . 191 Asn N . 26763 1 892 . 1 1 192 192 LEU H H 1 8.241 0.03 . 1 . . . . 192 Leu H . 26763 1 893 . 1 1 192 192 LEU C C 13 178.184 0.3 . 1 . . . . 192 Leu C . 26763 1 894 . 1 1 192 192 LEU CA C 13 57.997 0.3 . 1 . . . . 192 Leu CA . 26763 1 895 . 1 1 192 192 LEU CB C 13 40.320 0.3 . 1 . . . . 192 Leu CB . 26763 1 896 . 1 1 192 192 LEU N N 15 121.551 0.3 . 1 . . . . 192 Leu N . 26763 1 897 . 1 1 193 193 VAL H H 1 7.612 0.03 . 1 . . . . 193 Val H . 26763 1 898 . 1 1 193 193 VAL C C 13 177.581 0.3 . 1 . . . . 193 Val C . 26763 1 899 . 1 1 193 193 VAL CA C 13 66.732 0.3 . 1 . . . . 193 Val CA . 26763 1 900 . 1 1 193 193 VAL CB C 13 31.654 0.3 . 1 . . . . 193 Val CB . 26763 1 901 . 1 1 193 193 VAL N N 15 119.520 0.3 . 1 . . . . 193 Val N . 26763 1 902 . 1 1 194 194 ASN H H 1 7.583 0.03 . 1 . . . . 194 Asn H . 26763 1 903 . 1 1 194 194 ASN C C 13 176.840 0.3 . 1 . . . . 194 Asn C . 26763 1 904 . 1 1 194 194 ASN CA C 13 55.994 0.3 . 1 . . . . 194 Asn CA . 26763 1 905 . 1 1 194 194 ASN CB C 13 37.163 0.3 . 1 . . . . 194 Asn CB . 26763 1 906 . 1 1 194 194 ASN N N 15 115.331 0.3 . 1 . . . . 194 Asn N . 26763 1 907 . 1 1 195 195 PHE H H 1 7.943 0.03 . 1 . . . . 195 Phe H . 26763 1 908 . 1 1 195 195 PHE C C 13 176.845 0.3 . 1 . . . . 195 Phe C . 26763 1 909 . 1 1 195 195 PHE CA C 13 60.005 0.3 . 1 . . . . 195 Phe CA . 26763 1 910 . 1 1 195 195 PHE CB C 13 37.816 0.3 . 1 . . . . 195 Phe CB . 26763 1 911 . 1 1 195 195 PHE N N 15 119.943 0.3 . 1 . . . . 195 Phe N . 26763 1 912 . 1 1 196 196 ILE H H 1 7.469 0.03 . 1 . . . . 196 Ile H . 26763 1 913 . 1 1 196 196 ILE C C 13 178.156 0.3 . 1 . . . . 196 Ile C . 26763 1 914 . 1 1 196 196 ILE CA C 13 62.387 0.3 . 1 . . . . 196 Ile CA . 26763 1 915 . 1 1 196 196 ILE CB C 13 38.173 0.3 . 1 . . . . 196 Ile CB . 26763 1 916 . 1 1 196 196 ILE N N 15 118.392 0.3 . 1 . . . . 196 Ile N . 26763 1 917 . 1 1 197 197 LEU H H 1 8.009 0.03 . 1 . . . . 197 Leu H . 26763 1 918 . 1 1 197 197 LEU C C 13 179.791 0.3 . 1 . . . . 197 Leu C . 26763 1 919 . 1 1 197 197 LEU CA C 13 57.892 0.3 . 1 . . . . 197 Leu CA . 26763 1 920 . 1 1 197 197 LEU CB C 13 39.776 0.3 . 1 . . . . 197 Leu CB . 26763 1 921 . 1 1 197 197 LEU N N 15 119.308 0.3 . 1 . . . . 197 Leu N . 26763 1 922 . 1 1 198 198 ASN H H 1 8.665 0.03 . 1 . . . . 198 Asn H . 26763 1 923 . 1 1 198 198 ASN C C 13 177.926 0.3 . 1 . . . . 198 Asn C . 26763 1 924 . 1 1 198 198 ASN CA C 13 55.993 0.3 . 1 . . . . 198 Asn CA . 26763 1 925 . 1 1 198 198 ASN CB C 13 37.140 0.3 . 1 . . . . 198 Asn CB . 26763 1 926 . 1 1 198 198 ASN N N 15 119.234 0.3 . 1 . . . . 198 Asn N . 26763 1 927 . 1 1 199 199 ALA H H 1 8.420 0.03 . 1 . . . . 199 Ala H . 26763 1 928 . 1 1 199 199 ALA C C 13 178.017 0.3 . 1 . . . . 199 Ala C . 26763 1 929 . 1 1 199 199 ALA CA C 13 54.863 0.3 . 1 . . . . 199 Ala CA . 26763 1 930 . 1 1 199 199 ALA CB C 13 16.508 0.3 . 1 . . . . 199 Ala CB . 26763 1 931 . 1 1 199 199 ALA N N 15 125.871 0.3 . 1 . . . . 199 Ala N . 26763 1 932 . 1 1 200 200 LYS H H 1 8.127 0.03 . 1 . . . . 200 Lys H . 26763 1 933 . 1 1 200 200 LYS C C 13 178.228 0.3 . 1 . . . . 200 Lys C . 26763 1 934 . 1 1 200 200 LYS CA C 13 59.926 0.3 . 1 . . . . 200 Lys CA . 26763 1 935 . 1 1 200 200 LYS CB C 13 32.540 0.3 . 1 . . . . 200 Lys CB . 26763 1 936 . 1 1 200 200 LYS N N 15 117.125 0.3 . 1 . . . . 200 Lys N . 26763 1 937 . 1 1 201 201 ASP H H 1 7.564 0.03 . 1 . . . . 201 Asp H . 26763 1 938 . 1 1 201 201 ASP C C 13 179.009 0.3 . 1 . . . . 201 Asp C . 26763 1 939 . 1 1 201 201 ASP CA C 13 56.966 0.3 . 1 . . . . 201 Asp CA . 26763 1 940 . 1 1 201 201 ASP CB C 13 41.072 0.3 . 1 . . . . 201 Asp CB . 26763 1 941 . 1 1 201 201 ASP N N 15 117.557 0.3 . 1 . . . . 201 Asp N . 26763 1 942 . 1 1 202 202 GLY H H 1 8.551 0.03 . 1 . . . . 202 Gly H . 26763 1 943 . 1 1 202 202 GLY C C 13 175.895 0.3 . 1 . . . . 202 Gly C . 26763 1 944 . 1 1 202 202 GLY CA C 13 46.926 0.3 . 1 . . . . 202 Gly CA . 26763 1 945 . 1 1 202 202 GLY N N 15 109.523 0.3 . 1 . . . . 202 Gly N . 26763 1 946 . 1 1 203 203 ILE H H 1 7.640 0.03 . 1 . . . . 203 Ile H . 26763 1 947 . 1 1 203 203 ILE C C 13 176.420 0.3 . 1 . . . . 203 Ile C . 26763 1 948 . 1 1 203 203 ILE CA C 13 62.899 0.3 . 1 . . . . 203 Ile CA . 26763 1 949 . 1 1 203 203 ILE CB C 13 36.401 0.3 . 1 . . . . 203 Ile CB . 26763 1 950 . 1 1 203 203 ILE N N 15 121.703 0.3 . 1 . . . . 203 Ile N . 26763 1 951 . 1 1 204 204 LYS H H 1 6.771 0.03 . 1 . . . . 204 Lys H . 26763 1 952 . 1 1 204 204 LYS C C 13 177.319 0.3 . 1 . . . . 204 Lys C . 26763 1 953 . 1 1 204 204 LYS CA C 13 58.174 0.3 . 1 . . . . 204 Lys CA . 26763 1 954 . 1 1 204 204 LYS CB C 13 32.255 0.3 . 1 . . . . 204 Lys CB . 26763 1 955 . 1 1 204 204 LYS N N 15 121.460 0.3 . 1 . . . . 204 Lys N . 26763 1 956 . 1 1 205 205 ALA H H 1 7.207 0.03 . 1 . . . . 205 Ala H . 26763 1 957 . 1 1 205 205 ALA C C 13 177.552 0.3 . 1 . . . . 205 Ala C . 26763 1 958 . 1 1 205 205 ALA CA C 13 52.782 0.3 . 1 . . . . 205 Ala CA . 26763 1 959 . 1 1 205 205 ALA CB C 13 18.941 0.3 . 1 . . . . 205 Ala CB . 26763 1 960 . 1 1 205 205 ALA N N 15 119.969 0.3 . 1 . . . . 205 Ala N . 26763 1 961 . 1 1 206 206 HIS H H 1 7.509 0.03 . 1 . . . . 206 His H . 26763 1 962 . 1 1 206 206 HIS C C 13 174.804 0.3 . 1 . . . . 206 His C . 26763 1 963 . 1 1 206 206 HIS CA C 13 56.618 0.3 . 1 . . . . 206 His CA . 26763 1 964 . 1 1 206 206 HIS CB C 13 30.505 0.3 . 1 . . . . 206 His CB . 26763 1 965 . 1 1 206 206 HIS N N 15 117.845 0.3 . 1 . . . . 206 His N . 26763 1 966 . 1 1 207 207 ARG H H 1 7.810 0.03 . 1 . . . . 207 Arg H . 26763 1 967 . 1 1 207 207 ARG C C 13 175.743 0.3 . 1 . . . . 207 Arg C . 26763 1 968 . 1 1 207 207 ARG CA C 13 55.728 0.3 . 1 . . . . 207 Arg CA . 26763 1 969 . 1 1 207 207 ARG CB C 13 30.996 0.3 . 1 . . . . 207 Arg CB . 26763 1 970 . 1 1 207 207 ARG N N 15 122.606 0.3 . 1 . . . . 207 Arg N . 26763 1 971 . 1 1 208 208 THR H H 1 7.993 0.03 . 1 . . . . 208 Thr H . 26763 1 972 . 1 1 208 208 THR CA C 13 59.760 0.3 . 1 . . . . 208 Thr CA . 26763 1 973 . 1 1 208 208 THR CB C 13 69.163 0.3 . 1 . . . . 208 Thr CB . 26763 1 974 . 1 1 208 208 THR N N 15 117.563 0.3 . 1 . . . . 208 Thr N . 26763 1 975 . 1 1 209 209 PRO C C 13 176.813 0.3 . 1 . . . . 209 Pro C . 26763 1 976 . 1 1 209 209 PRO CB C 13 32.238 0.3 . 1 . . . . 209 Pro CB . 26763 1 977 . 1 1 210 210 SER H H 1 8.289 0.03 . 1 . . . . 210 Ser H . 26763 1 978 . 1 1 210 210 SER C C 13 174.650 0.3 . 1 . . . . 210 Ser C . 26763 1 979 . 1 1 210 210 SER CA C 13 58.492 0.3 . 1 . . . . 210 Ser CA . 26763 1 980 . 1 1 210 210 SER CB C 13 63.520 0.3 . 1 . . . . 210 Ser CB . 26763 1 981 . 1 1 210 210 SER N N 15 115.976 0.3 . 1 . . . . 210 Ser N . 26763 1 982 . 1 1 211 211 ARG H H 1 8.296 0.03 . 1 . . . . 211 Arg H . 26763 1 983 . 1 1 211 211 ARG C C 13 176.066 0.3 . 1 . . . . 211 Arg C . 26763 1 984 . 1 1 211 211 ARG CA C 13 56.029 0.3 . 1 . . . . 211 Arg CA . 26763 1 985 . 1 1 211 211 ARG CB C 13 30.388 0.3 . 1 . . . . 211 Arg CB . 26763 1 986 . 1 1 211 211 ARG N N 15 122.995 0.3 . 1 . . . . 211 Arg N . 26763 1 987 . 1 1 212 212 ARG H H 1 8.226 0.03 . 1 . . . . 212 Arg H . 26763 1 988 . 1 1 212 212 ARG C C 13 176.562 0.3 . 1 . . . . 212 Arg C . 26763 1 989 . 1 1 212 212 ARG CA C 13 56.306 0.3 . 1 . . . . 212 Arg CA . 26763 1 990 . 1 1 212 212 ARG CB C 13 30.775 0.3 . 1 . . . . 212 Arg CB . 26763 1 991 . 1 1 212 212 ARG N N 15 121.827 0.3 . 1 . . . . 212 Arg N . 26763 1 992 . 1 1 213 213 GLY H H 1 8.299 0.03 . 1 . . . . 213 Gly H . 26763 1 993 . 1 1 213 213 GLY C C 13 173.493 0.3 . 1 . . . . 213 Gly C . 26763 1 994 . 1 1 213 213 GLY CA C 13 44.975 0.3 . 1 . . . . 213 Gly CA . 26763 1 995 . 1 1 213 213 GLY N N 15 109.698 0.3 . 1 . . . . 213 Gly N . 26763 1 996 . 1 1 214 214 PHE H H 1 7.958 0.03 . 1 . . . . 214 Phe H . 26763 1 997 . 1 1 214 214 PHE CA C 13 57.851 0.3 . 1 . . . . 214 Phe CA . 26763 1 998 . 1 1 214 214 PHE CB C 13 39.749 0.3 . 1 . . . . 214 Phe CB . 26763 1 999 . 1 1 214 214 PHE N N 15 119.662 0.3 . 1 . . . . 214 Phe N . 26763 1 1000 . 1 1 216 216 HIS C C 13 173.538 0.3 . 1 . . . . 216 His C . 26763 1 1001 . 1 1 216 216 HIS CB C 13 30.233 0.3 . 1 . . . . 216 His CB . 26763 1 1002 . 1 1 217 217 ASN H H 1 8.184 0.03 . 1 . . . . 217 Asn H . 26763 1 1003 . 1 1 217 217 ASN C C 13 176.190 0.3 . 1 . . . . 217 Asn C . 26763 1 1004 . 1 1 217 217 ASN CA C 13 54.765 0.3 . 1 . . . . 217 Asn CA . 26763 1 1005 . 1 1 217 217 ASN CB C 13 40.951 0.3 . 1 . . . . 217 Asn CB . 26763 1 1006 . 1 1 217 217 ASN N N 15 125.440 0.3 . 1 . . . . 217 Asn N . 26763 1 1007 . 1 1 218 218 SER H H 1 8.096 0.03 . 1 . . . . 218 Ser H . 26763 1 1008 . 1 1 218 218 SER CA C 13 58.525 0.3 . 1 . . . . 218 Ser CA . 26763 1 1009 . 1 1 218 218 SER CB C 13 63.522 0.3 . 1 . . . . 218 Ser CB . 26763 1 1010 . 1 1 218 218 SER N N 15 115.953 0.3 . 1 . . . . 218 Ser N . 26763 1 stop_ save_