data_25851 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25851 _Entry.Title ; TRIM24 PHD-Bromo dual-domain backbone assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-16 _Entry.Accession_date 2015-10-16 _Entry.Last_release_date 2016-05-31 _Entry.Original_release_date 2016-05-31 _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 Reto Walser . . . . 25851 2 Alexander Milbradt . . . . 25851 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25851 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 327 25851 '15N chemical shifts' 154 25851 '1H chemical shifts' 312 25851 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-05-31 . original BMRB . 25851 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25851 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26878853 _Citation.Full_citation . _Citation.Title ; Backbone resonance assignments for the PHD-Bromo dual-domain of the human chromatin reader TRIM24 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 207 _Citation.Page_last 211 _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 Reto Walser . . . . 25851 1 2 Alexander Milbradt . . . . 25851 1 3 Jonathan Renshaw . . . . 25851 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Backbone assignment' 25851 1 'Bromo domain' 25851 1 PHD 25851 1 TRIM24 25851 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25851 _Assembly.ID 1 _Assembly.Name 'TRIM24 PHD-Bromo' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 TRIM24 1 $TRIM24 A . yes native no no . . . 25851 1 2 'ZN, 1' 2 $entity_ZN A . no na no no . . . 25851 1 3 'ZN, 2' 2 $entity_ZN A . no na no no . . . 25851 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' single . 1 . 1 CYS 14 14 SG . 2 . 2 ZN 1 1 ZN . polymer 14 CYS SG . ZN 1 ZN ZN 25851 1 2 'metal coordination' single . 1 . 1 CYS 17 17 SG . 2 . 2 ZN 1 1 ZN . polymer 17 CYS SG . ZN 1 ZN ZN 25851 1 3 'metal coordination' single . 1 . 1 HIS 34 34 ND1 . 2 . 2 ZN 1 1 ZN . polymer 34 HIS ND1 . ZN 1 ZN ZN 25851 1 4 'metal coordination' single . 1 . 1 CYS 37 37 SG . 2 . 2 ZN 1 1 ZN . polymer 37 CYS SG . ZN 1 ZN ZN 25851 1 5 'metal coordination' single . 1 . 1 CYS 26 26 SG . 3 . 2 ZN 1 1 ZN . polymer 26 CYS SG . ZN 2 ZN ZN 25851 1 6 'metal coordination' single . 1 . 1 CYS 29 29 SG . 3 . 2 ZN 1 1 ZN . polymer 29 CYS SG . ZN 2 ZN ZN 25851 1 7 'metal coordination' single . 1 . 1 CYS 52 52 SG . 3 . 2 ZN 1 1 ZN . polymer 52 CYS SG . ZN 2 ZN ZN 25851 1 8 'metal coordination' single . 1 . 1 CYS 55 55 SG . 3 . 2 ZN 1 1 ZN . polymer 55 CYS SG . ZN 2 ZN ZN 25851 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3O33 . . X-ray . . . 25851 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TRIM24 _Entity.Sf_category entity _Entity.Sf_framecode TRIM24 _Entity.Entry_ID 25851 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TRIM24 _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 ; GSTRKEDDPNEDWCAVCQNG GELLCCEKCPKVFHLSCHVP TLTNFPSGEWICTFCRDLSK PEVEYDCDAPSHNSEKKKTE GLVKLTPIDKRKCERLLLFL YCHEMSLAFQDPVPLTVPDY YKIIKNPMDLSTIKKRLQED YSMYSKPEDFVADFRLIFQN CAEFNEPDSEVANAGIKLEN YFEELLKNLYPEKRFP ; _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 196 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 25851 1 2 2 SER . 25851 1 3 3 THR . 25851 1 4 4 ARG . 25851 1 5 5 LYS . 25851 1 6 6 GLU . 25851 1 7 7 ASP . 25851 1 8 8 ASP . 25851 1 9 9 PRO . 25851 1 10 10 ASN . 25851 1 11 11 GLU . 25851 1 12 12 ASP . 25851 1 13 13 TRP . 25851 1 14 14 CYS . 25851 1 15 15 ALA . 25851 1 16 16 VAL . 25851 1 17 17 CYS . 25851 1 18 18 GLN . 25851 1 19 19 ASN . 25851 1 20 20 GLY . 25851 1 21 21 GLY . 25851 1 22 22 GLU . 25851 1 23 23 LEU . 25851 1 24 24 LEU . 25851 1 25 25 CYS . 25851 1 26 26 CYS . 25851 1 27 27 GLU . 25851 1 28 28 LYS . 25851 1 29 29 CYS . 25851 1 30 30 PRO . 25851 1 31 31 LYS . 25851 1 32 32 VAL . 25851 1 33 33 PHE . 25851 1 34 34 HIS . 25851 1 35 35 LEU . 25851 1 36 36 SER . 25851 1 37 37 CYS . 25851 1 38 38 HIS . 25851 1 39 39 VAL . 25851 1 40 40 PRO . 25851 1 41 41 THR . 25851 1 42 42 LEU . 25851 1 43 43 THR . 25851 1 44 44 ASN . 25851 1 45 45 PHE . 25851 1 46 46 PRO . 25851 1 47 47 SER . 25851 1 48 48 GLY . 25851 1 49 49 GLU . 25851 1 50 50 TRP . 25851 1 51 51 ILE . 25851 1 52 52 CYS . 25851 1 53 53 THR . 25851 1 54 54 PHE . 25851 1 55 55 CYS . 25851 1 56 56 ARG . 25851 1 57 57 ASP . 25851 1 58 58 LEU . 25851 1 59 59 SER . 25851 1 60 60 LYS . 25851 1 61 61 PRO . 25851 1 62 62 GLU . 25851 1 63 63 VAL . 25851 1 64 64 GLU . 25851 1 65 65 TYR . 25851 1 66 66 ASP . 25851 1 67 67 CYS . 25851 1 68 68 ASP . 25851 1 69 69 ALA . 25851 1 70 70 PRO . 25851 1 71 71 SER . 25851 1 72 72 HIS . 25851 1 73 73 ASN . 25851 1 74 74 SER . 25851 1 75 75 GLU . 25851 1 76 76 LYS . 25851 1 77 77 LYS . 25851 1 78 78 LYS . 25851 1 79 79 THR . 25851 1 80 80 GLU . 25851 1 81 81 GLY . 25851 1 82 82 LEU . 25851 1 83 83 VAL . 25851 1 84 84 LYS . 25851 1 85 85 LEU . 25851 1 86 86 THR . 25851 1 87 87 PRO . 25851 1 88 88 ILE . 25851 1 89 89 ASP . 25851 1 90 90 LYS . 25851 1 91 91 ARG . 25851 1 92 92 LYS . 25851 1 93 93 CYS . 25851 1 94 94 GLU . 25851 1 95 95 ARG . 25851 1 96 96 LEU . 25851 1 97 97 LEU . 25851 1 98 98 LEU . 25851 1 99 99 PHE . 25851 1 100 100 LEU . 25851 1 101 101 TYR . 25851 1 102 102 CYS . 25851 1 103 103 HIS . 25851 1 104 104 GLU . 25851 1 105 105 MET . 25851 1 106 106 SER . 25851 1 107 107 LEU . 25851 1 108 108 ALA . 25851 1 109 109 PHE . 25851 1 110 110 GLN . 25851 1 111 111 ASP . 25851 1 112 112 PRO . 25851 1 113 113 VAL . 25851 1 114 114 PRO . 25851 1 115 115 LEU . 25851 1 116 116 THR . 25851 1 117 117 VAL . 25851 1 118 118 PRO . 25851 1 119 119 ASP . 25851 1 120 120 TYR . 25851 1 121 121 TYR . 25851 1 122 122 LYS . 25851 1 123 123 ILE . 25851 1 124 124 ILE . 25851 1 125 125 LYS . 25851 1 126 126 ASN . 25851 1 127 127 PRO . 25851 1 128 128 MET . 25851 1 129 129 ASP . 25851 1 130 130 LEU . 25851 1 131 131 SER . 25851 1 132 132 THR . 25851 1 133 133 ILE . 25851 1 134 134 LYS . 25851 1 135 135 LYS . 25851 1 136 136 ARG . 25851 1 137 137 LEU . 25851 1 138 138 GLN . 25851 1 139 139 GLU . 25851 1 140 140 ASP . 25851 1 141 141 TYR . 25851 1 142 142 SER . 25851 1 143 143 MET . 25851 1 144 144 TYR . 25851 1 145 145 SER . 25851 1 146 146 LYS . 25851 1 147 147 PRO . 25851 1 148 148 GLU . 25851 1 149 149 ASP . 25851 1 150 150 PHE . 25851 1 151 151 VAL . 25851 1 152 152 ALA . 25851 1 153 153 ASP . 25851 1 154 154 PHE . 25851 1 155 155 ARG . 25851 1 156 156 LEU . 25851 1 157 157 ILE . 25851 1 158 158 PHE . 25851 1 159 159 GLN . 25851 1 160 160 ASN . 25851 1 161 161 CYS . 25851 1 162 162 ALA . 25851 1 163 163 GLU . 25851 1 164 164 PHE . 25851 1 165 165 ASN . 25851 1 166 166 GLU . 25851 1 167 167 PRO . 25851 1 168 168 ASP . 25851 1 169 169 SER . 25851 1 170 170 GLU . 25851 1 171 171 VAL . 25851 1 172 172 ALA . 25851 1 173 173 ASN . 25851 1 174 174 ALA . 25851 1 175 175 GLY . 25851 1 176 176 ILE . 25851 1 177 177 LYS . 25851 1 178 178 LEU . 25851 1 179 179 GLU . 25851 1 180 180 ASN . 25851 1 181 181 TYR . 25851 1 182 182 PHE . 25851 1 183 183 GLU . 25851 1 184 184 GLU . 25851 1 185 185 LEU . 25851 1 186 186 LEU . 25851 1 187 187 LYS . 25851 1 188 188 ASN . 25851 1 189 189 LEU . 25851 1 190 190 TYR . 25851 1 191 191 PRO . 25851 1 192 192 GLU . 25851 1 193 193 LYS . 25851 1 194 194 ARG . 25851 1 195 195 PHE . 25851 1 196 196 PRO . 25851 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 . GLY 1 1 25851 1 . SER 2 2 25851 1 . THR 3 3 25851 1 . ARG 4 4 25851 1 . LYS 5 5 25851 1 . GLU 6 6 25851 1 . ASP 7 7 25851 1 . ASP 8 8 25851 1 . PRO 9 9 25851 1 . ASN 10 10 25851 1 . GLU 11 11 25851 1 . ASP 12 12 25851 1 . TRP 13 13 25851 1 . CYS 14 14 25851 1 . ALA 15 15 25851 1 . VAL 16 16 25851 1 . CYS 17 17 25851 1 . GLN 18 18 25851 1 . ASN 19 19 25851 1 . GLY 20 20 25851 1 . GLY 21 21 25851 1 . GLU 22 22 25851 1 . LEU 23 23 25851 1 . LEU 24 24 25851 1 . CYS 25 25 25851 1 . CYS 26 26 25851 1 . GLU 27 27 25851 1 . LYS 28 28 25851 1 . CYS 29 29 25851 1 . PRO 30 30 25851 1 . LYS 31 31 25851 1 . VAL 32 32 25851 1 . PHE 33 33 25851 1 . HIS 34 34 25851 1 . LEU 35 35 25851 1 . SER 36 36 25851 1 . CYS 37 37 25851 1 . HIS 38 38 25851 1 . VAL 39 39 25851 1 . PRO 40 40 25851 1 . THR 41 41 25851 1 . LEU 42 42 25851 1 . THR 43 43 25851 1 . ASN 44 44 25851 1 . PHE 45 45 25851 1 . PRO 46 46 25851 1 . SER 47 47 25851 1 . GLY 48 48 25851 1 . GLU 49 49 25851 1 . TRP 50 50 25851 1 . ILE 51 51 25851 1 . CYS 52 52 25851 1 . THR 53 53 25851 1 . PHE 54 54 25851 1 . CYS 55 55 25851 1 . ARG 56 56 25851 1 . ASP 57 57 25851 1 . LEU 58 58 25851 1 . SER 59 59 25851 1 . LYS 60 60 25851 1 . PRO 61 61 25851 1 . GLU 62 62 25851 1 . VAL 63 63 25851 1 . GLU 64 64 25851 1 . TYR 65 65 25851 1 . ASP 66 66 25851 1 . CYS 67 67 25851 1 . ASP 68 68 25851 1 . ALA 69 69 25851 1 . PRO 70 70 25851 1 . SER 71 71 25851 1 . HIS 72 72 25851 1 . ASN 73 73 25851 1 . SER 74 74 25851 1 . GLU 75 75 25851 1 . LYS 76 76 25851 1 . LYS 77 77 25851 1 . LYS 78 78 25851 1 . THR 79 79 25851 1 . GLU 80 80 25851 1 . GLY 81 81 25851 1 . LEU 82 82 25851 1 . VAL 83 83 25851 1 . LYS 84 84 25851 1 . LEU 85 85 25851 1 . THR 86 86 25851 1 . PRO 87 87 25851 1 . ILE 88 88 25851 1 . ASP 89 89 25851 1 . LYS 90 90 25851 1 . ARG 91 91 25851 1 . LYS 92 92 25851 1 . CYS 93 93 25851 1 . GLU 94 94 25851 1 . ARG 95 95 25851 1 . LEU 96 96 25851 1 . LEU 97 97 25851 1 . LEU 98 98 25851 1 . PHE 99 99 25851 1 . LEU 100 100 25851 1 . TYR 101 101 25851 1 . CYS 102 102 25851 1 . HIS 103 103 25851 1 . GLU 104 104 25851 1 . MET 105 105 25851 1 . SER 106 106 25851 1 . LEU 107 107 25851 1 . ALA 108 108 25851 1 . PHE 109 109 25851 1 . GLN 110 110 25851 1 . ASP 111 111 25851 1 . PRO 112 112 25851 1 . VAL 113 113 25851 1 . PRO 114 114 25851 1 . LEU 115 115 25851 1 . THR 116 116 25851 1 . VAL 117 117 25851 1 . PRO 118 118 25851 1 . ASP 119 119 25851 1 . TYR 120 120 25851 1 . TYR 121 121 25851 1 . LYS 122 122 25851 1 . ILE 123 123 25851 1 . ILE 124 124 25851 1 . LYS 125 125 25851 1 . ASN 126 126 25851 1 . PRO 127 127 25851 1 . MET 128 128 25851 1 . ASP 129 129 25851 1 . LEU 130 130 25851 1 . SER 131 131 25851 1 . THR 132 132 25851 1 . ILE 133 133 25851 1 . LYS 134 134 25851 1 . LYS 135 135 25851 1 . ARG 136 136 25851 1 . LEU 137 137 25851 1 . GLN 138 138 25851 1 . GLU 139 139 25851 1 . ASP 140 140 25851 1 . TYR 141 141 25851 1 . SER 142 142 25851 1 . MET 143 143 25851 1 . TYR 144 144 25851 1 . SER 145 145 25851 1 . LYS 146 146 25851 1 . PRO 147 147 25851 1 . GLU 148 148 25851 1 . ASP 149 149 25851 1 . PHE 150 150 25851 1 . VAL 151 151 25851 1 . ALA 152 152 25851 1 . ASP 153 153 25851 1 . PHE 154 154 25851 1 . ARG 155 155 25851 1 . LEU 156 156 25851 1 . ILE 157 157 25851 1 . PHE 158 158 25851 1 . GLN 159 159 25851 1 . ASN 160 160 25851 1 . CYS 161 161 25851 1 . ALA 162 162 25851 1 . GLU 163 163 25851 1 . PHE 164 164 25851 1 . ASN 165 165 25851 1 . GLU 166 166 25851 1 . PRO 167 167 25851 1 . ASP 168 168 25851 1 . SER 169 169 25851 1 . GLU 170 170 25851 1 . VAL 171 171 25851 1 . ALA 172 172 25851 1 . ASN 173 173 25851 1 . ALA 174 174 25851 1 . GLY 175 175 25851 1 . ILE 176 176 25851 1 . LYS 177 177 25851 1 . LEU 178 178 25851 1 . GLU 179 179 25851 1 . ASN 180 180 25851 1 . TYR 181 181 25851 1 . PHE 182 182 25851 1 . GLU 183 183 25851 1 . GLU 184 184 25851 1 . LEU 185 185 25851 1 . LEU 186 186 25851 1 . LYS 187 187 25851 1 . ASN 188 188 25851 1 . LEU 189 189 25851 1 . TYR 190 190 25851 1 . PRO 191 191 25851 1 . GLU 192 192 25851 1 . LYS 193 193 25851 1 . ARG 194 194 25851 1 . PHE 195 195 25851 1 . PRO 196 196 25851 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25851 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _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 . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _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 'ZINC ION' BMRB 25851 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25851 2 ZN 'Three letter code' 25851 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 ZN $chem_comp_ZN 25851 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 25851 _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 $TRIM24 . 562 plasmid . 'Escherichia coli' enterobacteria . . Bacteria . Escherichia coli 'BL21 DE3 Gold' . . . . . . . . . . . . 25851 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 25851 _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 $TRIM24 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 25851 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 25851 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _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 ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 . _Chem_comp.Processing_site RCSB _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 InChI=1S/Zn/q+2 InChI InChI 1.03 25851 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25851 ZN [Zn++] SMILES CACTVS 3.341 25851 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25851 ZN [Zn+2] SMILES ACDLabs 10.04 25851 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25851 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25851 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 25851 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25851 ZN 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 ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25851 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25851 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TRIM24 '[U-100% 13C; U-100% 15N]' . . 1 $TRIM24 . . 0.8 . . mM . . . . 25851 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 25851 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25851 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 25851 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25851 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25851 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 25851 _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' 0.25 . M 25851 1 pH 7.4 . pH 25851 1 pressure 1 . atm 25851 1 temperature 308 . K 25851 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25851 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25851 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25851 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25851 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25851 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25851 2 stop_ save_ save_Cara _Software.Sf_category software _Software.Sf_framecode Cara _Software.Entry_ID 25851 _Software.ID 3 _Software.Name Cara _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25851 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25851 3 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 25851 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25851 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25851 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 25851 _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 . . . . . . . . . . . . . . . . 25851 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25851 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25851 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25851 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25851 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 25851 _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 carbons' . . . . ppm 0 external direct 1 . . . . . 25851 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 25851 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 external indirect 1 . . . . . 25851 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 25851 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25851 1 2 '2D 1H-13C HSQC aliphatic' . . . 25851 1 3 '3D CBCA(CO)NH' . . . 25851 1 4 '3D HNCACB' . . . 25851 1 5 '3D HNCO' . . . 25851 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 THR HA H 1 4.395 0.020 . 1 . . . . 3 THR HA . 25851 1 2 . 1 1 3 3 THR C C 13 171.441 0.3 . 1 . . . . 3 THR C . 25851 1 3 . 1 1 3 3 THR CA C 13 61.903 0.3 . 1 . . . . 3 THR CA . 25851 1 4 . 1 1 4 4 ARG H H 1 8.358 0.020 . 1 . . . . 4 ARG H . 25851 1 5 . 1 1 4 4 ARG HA H 1 4.354 0.020 . 1 . . . . 4 ARG HA . 25851 1 6 . 1 1 4 4 ARG C C 13 173.275 0.3 . 1 . . . . 4 ARG C . 25851 1 7 . 1 1 4 4 ARG CA C 13 56.084 0.3 . 1 . . . . 4 ARG CA . 25851 1 8 . 1 1 4 4 ARG N N 15 123.586 0.3 . 1 . . . . 4 ARG N . 25851 1 9 . 1 1 5 5 LYS H H 1 8.580 0.020 . 1 . . . . 5 LYS H . 25851 1 10 . 1 1 5 5 LYS HA H 1 4.294 0.020 . 1 . . . . 5 LYS HA . 25851 1 11 . 1 1 5 5 LYS C C 13 174.170 0.3 . 1 . . . . 5 LYS C . 25851 1 12 . 1 1 5 5 LYS CA C 13 56.398 0.3 . 1 . . . . 5 LYS CA . 25851 1 13 . 1 1 5 5 LYS N N 15 123.958 0.3 . 1 . . . . 5 LYS N . 25851 1 14 . 1 1 6 6 GLU H H 1 8.644 0.020 . 1 . . . . 6 GLU H . 25851 1 15 . 1 1 6 6 GLU HA H 1 4.129 0.020 . 1 . . . . 6 GLU HA . 25851 1 16 . 1 1 6 6 GLU C C 13 173.330 0.3 . 1 . . . . 6 GLU C . 25851 1 17 . 1 1 6 6 GLU CA C 13 57.823 0.3 . 1 . . . . 6 GLU CA . 25851 1 18 . 1 1 6 6 GLU N N 15 121.194 0.3 . 1 . . . . 6 GLU N . 25851 1 19 . 1 1 7 7 ASP H H 1 8.171 0.020 . 1 . . . . 7 ASP H . 25851 1 20 . 1 1 7 7 ASP HA H 1 4.537 0.020 . 1 . . . . 7 ASP HA . 25851 1 21 . 1 1 7 7 ASP C C 13 172.631 0.3 . 1 . . . . 7 ASP C . 25851 1 22 . 1 1 7 7 ASP CA C 13 54.032 0.3 . 1 . . . . 7 ASP CA . 25851 1 23 . 1 1 7 7 ASP N N 15 118.264 0.3 . 1 . . . . 7 ASP N . 25851 1 24 . 1 1 8 8 ASP H H 1 7.859 0.020 . 1 . . . . 8 ASP H . 25851 1 25 . 1 1 8 8 ASP CA C 13 52.473 0.3 . 1 . . . . 8 ASP CA . 25851 1 26 . 1 1 8 8 ASP N N 15 121.160 0.3 . 1 . . . . 8 ASP N . 25851 1 27 . 1 1 9 9 PRO HA H 1 4.428 0.020 . 1 . . . . 9 PRO HA . 25851 1 28 . 1 1 9 9 PRO C C 13 173.843 0.3 . 1 . . . . 9 PRO C . 25851 1 29 . 1 1 9 9 PRO CA C 13 63.345 0.3 . 1 . . . . 9 PRO CA . 25851 1 30 . 1 1 10 10 ASN H H 1 8.296 0.020 . 1 . . . . 10 ASN H . 25851 1 31 . 1 1 10 10 ASN HA H 1 4.671 0.020 . 1 . . . . 10 ASN HA . 25851 1 32 . 1 1 10 10 ASN C C 13 172.107 0.3 . 1 . . . . 10 ASN C . 25851 1 33 . 1 1 10 10 ASN CA C 13 53.764 0.3 . 1 . . . . 10 ASN CA . 25851 1 34 . 1 1 10 10 ASN N N 15 118.029 0.3 . 1 . . . . 10 ASN N . 25851 1 35 . 1 1 11 11 GLU H H 1 8.386 0.020 . 1 . . . . 11 GLU H . 25851 1 36 . 1 1 11 11 GLU HA H 1 4.007 0.020 . 1 . . . . 11 GLU HA . 25851 1 37 . 1 1 11 11 GLU C C 13 171.758 0.3 . 1 . . . . 11 GLU C . 25851 1 38 . 1 1 11 11 GLU CA C 13 56.307 0.3 . 1 . . . . 11 GLU CA . 25851 1 39 . 1 1 11 11 GLU N N 15 120.842 0.3 . 1 . . . . 11 GLU N . 25851 1 40 . 1 1 12 12 ASP H H 1 7.631 0.020 . 1 . . . . 12 ASP H . 25851 1 41 . 1 1 12 12 ASP HA H 1 4.318 0.020 . 1 . . . . 12 ASP HA . 25851 1 42 . 1 1 12 12 ASP C C 13 171.157 0.3 . 1 . . . . 12 ASP C . 25851 1 43 . 1 1 12 12 ASP CA C 13 54.000 0.3 . 1 . . . . 12 ASP CA . 25851 1 44 . 1 1 12 12 ASP N N 15 117.971 0.3 . 1 . . . . 12 ASP N . 25851 1 45 . 1 1 13 13 TRP H H 1 7.248 0.020 . 1 . . . . 13 TRP H . 25851 1 46 . 1 1 13 13 TRP HA H 1 4.525 0.020 . 1 . . . . 13 TRP HA . 25851 1 47 . 1 1 13 13 TRP C C 13 173.057 0.3 . 1 . . . . 13 TRP C . 25851 1 48 . 1 1 13 13 TRP CA C 13 53.892 0.3 . 1 . . . . 13 TRP CA . 25851 1 49 . 1 1 13 13 TRP N N 15 116.564 0.3 . 1 . . . . 13 TRP N . 25851 1 50 . 1 1 14 14 CYS H H 1 8.029 0.020 . 1 . . . . 14 CYS H . 25851 1 51 . 1 1 14 14 CYS HA H 1 3.891 0.020 . 1 . . . . 14 CYS HA . 25851 1 52 . 1 1 14 14 CYS C C 13 174.028 0.3 . 1 . . . . 14 CYS C . 25851 1 53 . 1 1 14 14 CYS CA C 13 59.129 0.3 . 1 . . . . 14 CYS CA . 25851 1 54 . 1 1 14 14 CYS N N 15 121.820 0.3 . 1 . . . . 14 CYS N . 25851 1 55 . 1 1 15 15 ALA H H 1 8.816 0.020 . 1 . . . . 15 ALA H . 25851 1 56 . 1 1 15 15 ALA HA H 1 4.135 0.020 . 1 . . . . 15 ALA HA . 25851 1 57 . 1 1 15 15 ALA C C 13 174.530 0.3 . 1 . . . . 15 ALA C . 25851 1 58 . 1 1 15 15 ALA CA C 13 54.939 0.3 . 1 . . . . 15 ALA CA . 25851 1 59 . 1 1 15 15 ALA N N 15 131.624 0.3 . 1 . . . . 15 ALA N . 25851 1 60 . 1 1 16 16 VAL H H 1 8.945 0.020 . 1 . . . . 16 VAL H . 25851 1 61 . 1 1 16 16 VAL HA H 1 4.269 0.020 . 1 . . . . 16 VAL HA . 25851 1 62 . 1 1 16 16 VAL C C 13 173.930 0.3 . 1 . . . . 16 VAL C . 25851 1 63 . 1 1 16 16 VAL CA C 13 64.990 0.3 . 1 . . . . 16 VAL CA . 25851 1 64 . 1 1 16 16 VAL N N 15 117.561 0.3 . 1 . . . . 16 VAL N . 25851 1 65 . 1 1 17 17 CYS H H 1 7.975 0.020 . 1 . . . . 17 CYS H . 25851 1 66 . 1 1 17 17 CYS HA H 1 4.994 0.020 . 1 . . . . 17 CYS HA . 25851 1 67 . 1 1 17 17 CYS C C 13 172.893 0.3 . 1 . . . . 17 CYS C . 25851 1 68 . 1 1 17 17 CYS CA C 13 59.184 0.3 . 1 . . . . 17 CYS CA . 25851 1 69 . 1 1 17 17 CYS N N 15 116.154 0.3 . 1 . . . . 17 CYS N . 25851 1 70 . 1 1 18 18 GLN H H 1 8.284 0.020 . 1 . . . . 18 GLN H . 25851 1 71 . 1 1 18 18 GLN HA H 1 4.042 0.020 . 1 . . . . 18 GLN HA . 25851 1 72 . 1 1 18 18 GLN C C 13 170.666 0.3 . 1 . . . . 18 GLN C . 25851 1 73 . 1 1 18 18 GLN CA C 13 58.104 0.3 . 1 . . . . 18 GLN CA . 25851 1 74 . 1 1 18 18 GLN N N 15 115.568 0.3 . 1 . . . . 18 GLN N . 25851 1 75 . 1 1 19 19 ASN H H 1 8.265 0.020 . 1 . . . . 19 ASN H . 25851 1 76 . 1 1 19 19 ASN HA H 1 5.250 0.020 . 1 . . . . 19 ASN HA . 25851 1 77 . 1 1 19 19 ASN C C 13 173.220 0.3 . 1 . . . . 19 ASN C . 25851 1 78 . 1 1 19 19 ASN CA C 13 52.409 0.3 . 1 . . . . 19 ASN CA . 25851 1 79 . 1 1 19 19 ASN N N 15 116.447 0.3 . 1 . . . . 19 ASN N . 25851 1 80 . 1 1 20 20 GLY H H 1 8.669 0.020 . 1 . . . . 20 GLY H . 25851 1 81 . 1 1 20 20 GLY HA2 H 1 3.869 0.020 . 2 . . . . 20 GLY HA2 . 25851 1 82 . 1 1 20 20 GLY HA3 H 1 4.567 0.020 . 2 . . . . 20 GLY HA3 . 25851 1 83 . 1 1 20 20 GLY C C 13 171.146 0.3 . 1 . . . . 20 GLY C . 25851 1 84 . 1 1 20 20 GLY CA C 13 44.137 0.3 . 1 . . . . 20 GLY CA . 25851 1 85 . 1 1 20 20 GLY N N 15 108.014 0.3 . 1 . . . . 20 GLY N . 25851 1 86 . 1 1 21 21 GLY H H 1 8.695 0.020 . 1 . . . . 21 GLY H . 25851 1 87 . 1 1 21 21 GLY HA2 H 1 3.648 0.020 . 2 . . . . 21 GLY HA2 . 25851 1 88 . 1 1 21 21 GLY HA3 H 1 4.562 0.020 . 2 . . . . 21 GLY HA3 . 25851 1 89 . 1 1 21 21 GLY C C 13 169.542 0.3 . 1 . . . . 21 GLY C . 25851 1 90 . 1 1 21 21 GLY CA C 13 44.825 0.3 . 1 . . . . 21 GLY CA . 25851 1 91 . 1 1 21 21 GLY N N 15 110.324 0.3 . 1 . . . . 21 GLY N . 25851 1 92 . 1 1 22 22 GLU H H 1 8.797 0.020 . 1 . . . . 22 GLU H . 25851 1 93 . 1 1 22 22 GLU HA H 1 4.257 0.020 . 1 . . . . 22 GLU HA . 25851 1 94 . 1 1 22 22 GLU C C 13 171.856 0.3 . 1 . . . . 22 GLU C . 25851 1 95 . 1 1 22 22 GLU CA C 13 56.618 0.3 . 1 . . . . 22 GLU CA . 25851 1 96 . 1 1 22 22 GLU N N 15 125.750 0.3 . 1 . . . . 22 GLU N . 25851 1 97 . 1 1 23 23 LEU H H 1 7.850 0.020 . 1 . . . . 23 LEU H . 25851 1 98 . 1 1 23 23 LEU HA H 1 4.458 0.020 . 1 . . . . 23 LEU HA . 25851 1 99 . 1 1 23 23 LEU C C 13 172.686 0.3 . 1 . . . . 23 LEU C . 25851 1 100 . 1 1 23 23 LEU CA C 13 53.784 0.3 . 1 . . . . 23 LEU CA . 25851 1 101 . 1 1 23 23 LEU N N 15 124.944 0.3 . 1 . . . . 23 LEU N . 25851 1 102 . 1 1 24 24 LEU H H 1 9.016 0.020 . 1 . . . . 24 LEU H . 25851 1 103 . 1 1 24 24 LEU HA H 1 4.367 0.020 . 1 . . . . 24 LEU HA . 25851 1 104 . 1 1 24 24 LEU C C 13 172.707 0.3 . 1 . . . . 24 LEU C . 25851 1 105 . 1 1 24 24 LEU CA C 13 53.848 0.3 . 1 . . . . 24 LEU CA . 25851 1 106 . 1 1 24 24 LEU N N 15 125.003 0.3 . 1 . . . . 24 LEU N . 25851 1 107 . 1 1 25 25 CYS H H 1 8.429 0.020 . 1 . . . . 25 CYS H . 25851 1 108 . 1 1 25 25 CYS HA H 1 4.848 0.020 . 1 . . . . 25 CYS HA . 25851 1 109 . 1 1 25 25 CYS C C 13 171.179 0.3 . 1 . . . . 25 CYS C . 25851 1 110 . 1 1 25 25 CYS CA C 13 57.108 0.3 . 1 . . . . 25 CYS CA . 25851 1 111 . 1 1 25 25 CYS N N 15 122.307 0.3 . 1 . . . . 25 CYS N . 25851 1 112 . 1 1 26 26 CYS H H 1 8.460 0.020 . 1 . . . . 26 CYS H . 25851 1 113 . 1 1 26 26 CYS HA H 1 4.623 0.020 . 1 . . . . 26 CYS HA . 25851 1 114 . 1 1 26 26 CYS C C 13 173.570 0.3 . 1 . . . . 26 CYS C . 25851 1 115 . 1 1 26 26 CYS CA C 13 61.044 0.3 . 1 . . . . 26 CYS CA . 25851 1 116 . 1 1 26 26 CYS N N 15 127.346 0.3 . 1 . . . . 26 CYS N . 25851 1 117 . 1 1 27 27 GLU H H 1 8.413 0.020 . 1 . . . . 27 GLU H . 25851 1 118 . 1 1 27 27 GLU HA H 1 4.397 0.020 . 1 . . . . 27 GLU HA . 25851 1 119 . 1 1 27 27 GLU C C 13 174.301 0.3 . 1 . . . . 27 GLU C . 25851 1 120 . 1 1 27 27 GLU CA C 13 58.091 0.3 . 1 . . . . 27 GLU CA . 25851 1 121 . 1 1 27 27 GLU N N 15 125.712 0.3 . 1 . . . . 27 GLU N . 25851 1 122 . 1 1 28 28 LYS H H 1 9.919 0.020 . 1 . . . . 28 LYS H . 25851 1 123 . 1 1 28 28 LYS HA H 1 4.513 0.020 . 1 . . . . 28 LYS HA . 25851 1 124 . 1 1 28 28 LYS C C 13 171.932 0.3 . 1 . . . . 28 LYS C . 25851 1 125 . 1 1 28 28 LYS CA C 13 56.844 0.3 . 1 . . . . 28 LYS CA . 25851 1 126 . 1 1 28 28 LYS N N 15 122.776 0.3 . 1 . . . . 28 LYS N . 25851 1 127 . 1 1 29 29 CYS H H 1 8.441 0.020 . 1 . . . . 29 CYS H . 25851 1 128 . 1 1 29 29 CYS CA C 13 57.712 0.3 . 1 . . . . 29 CYS CA . 25851 1 129 . 1 1 29 29 CYS N N 15 125.706 0.3 . 1 . . . . 29 CYS N . 25851 1 130 . 1 1 30 30 PRO HA H 1 4.702 0.020 . 1 . . . . 30 PRO HA . 25851 1 131 . 1 1 30 30 PRO C C 13 174.585 0.3 . 1 . . . . 30 PRO C . 25851 1 132 . 1 1 30 30 PRO CA C 13 63.461 0.3 . 1 . . . . 30 PRO CA . 25851 1 133 . 1 1 31 31 LYS H H 1 8.945 0.020 . 1 . . . . 31 LYS H . 25851 1 134 . 1 1 31 31 LYS HA H 1 4.060 0.020 . 1 . . . . 31 LYS HA . 25851 1 135 . 1 1 31 31 LYS C C 13 172.293 0.3 . 1 . . . . 31 LYS C . 25851 1 136 . 1 1 31 31 LYS CA C 13 58.225 0.3 . 1 . . . . 31 LYS CA . 25851 1 137 . 1 1 31 31 LYS N N 15 121.428 0.3 . 1 . . . . 31 LYS N . 25851 1 138 . 1 1 32 32 VAL H H 1 7.936 0.020 . 1 . . . . 32 VAL H . 25851 1 139 . 1 1 32 32 VAL HA H 1 5.323 0.020 . 1 . . . . 32 VAL HA . 25851 1 140 . 1 1 32 32 VAL C C 13 171.714 0.3 . 1 . . . . 32 VAL C . 25851 1 141 . 1 1 32 32 VAL CA C 13 58.137 0.3 . 1 . . . . 32 VAL CA . 25851 1 142 . 1 1 32 32 VAL N N 15 112.580 0.3 . 1 . . . . 32 VAL N . 25851 1 143 . 1 1 33 33 PHE H H 1 8.621 0.020 . 1 . . . . 33 PHE H . 25851 1 144 . 1 1 33 33 PHE HA H 1 5.842 0.020 . 1 . . . . 33 PHE HA . 25851 1 145 . 1 1 33 33 PHE C C 13 174.367 0.3 . 1 . . . . 33 PHE C . 25851 1 146 . 1 1 33 33 PHE CA C 13 56.723 0.3 . 1 . . . . 33 PHE CA . 25851 1 147 . 1 1 33 33 PHE N N 15 114.459 0.3 . 1 . . . . 33 PHE N . 25851 1 148 . 1 1 34 34 HIS H H 1 8.312 0.020 . 1 . . . . 34 HIS H . 25851 1 149 . 1 1 34 34 HIS HA H 1 4.927 0.020 . 1 . . . . 34 HIS HA . 25851 1 150 . 1 1 34 34 HIS C C 13 174.683 0.3 . 1 . . . . 34 HIS C . 25851 1 151 . 1 1 34 34 HIS CA C 13 59.261 0.3 . 1 . . . . 34 HIS CA . 25851 1 152 . 1 1 34 34 HIS N N 15 120.783 0.3 . 1 . . . . 34 HIS N . 25851 1 153 . 1 1 35 35 LEU H H 1 9.176 0.020 . 1 . . . . 35 LEU H . 25851 1 154 . 1 1 35 35 LEU HA H 1 3.605 0.020 . 1 . . . . 35 LEU HA . 25851 1 155 . 1 1 35 35 LEU C C 13 175.535 0.3 . 1 . . . . 35 LEU C . 25851 1 156 . 1 1 35 35 LEU CA C 13 59.290 0.3 . 1 . . . . 35 LEU CA . 25851 1 157 . 1 1 35 35 LEU N N 15 122.659 0.3 . 1 . . . . 35 LEU N . 25851 1 158 . 1 1 36 36 SER H H 1 7.956 0.020 . 1 . . . . 36 SER H . 25851 1 159 . 1 1 36 36 SER HA H 1 4.629 0.020 . 1 . . . . 36 SER HA . 25851 1 160 . 1 1 36 36 SER C C 13 172.434 0.3 . 1 . . . . 36 SER C . 25851 1 161 . 1 1 36 36 SER CA C 13 58.391 0.3 . 1 . . . . 36 SER CA . 25851 1 162 . 1 1 36 36 SER N N 15 104.728 0.3 . 1 . . . . 36 SER N . 25851 1 163 . 1 1 37 37 CYS H H 1 7.209 0.020 . 1 . . . . 37 CYS H . 25851 1 164 . 1 1 37 37 CYS HA H 1 4.117 0.020 . 1 . . . . 37 CYS HA . 25851 1 165 . 1 1 37 37 CYS C C 13 173.439 0.3 . 1 . . . . 37 CYS C . 25851 1 166 . 1 1 37 37 CYS CA C 13 61.470 0.3 . 1 . . . . 37 CYS CA . 25851 1 167 . 1 1 37 37 CYS N N 15 119.553 0.3 . 1 . . . . 37 CYS N . 25851 1 168 . 1 1 38 38 HIS H H 1 6.943 0.020 . 1 . . . . 38 HIS H . 25851 1 169 . 1 1 38 38 HIS CA C 13 59.745 0.3 . 1 . . . . 38 HIS CA . 25851 1 170 . 1 1 38 38 HIS N N 15 115.920 0.3 . 1 . . . . 38 HIS N . 25851 1 171 . 1 1 40 40 PRO HA H 1 4.513 0.020 . 1 . . . . 40 PRO HA . 25851 1 172 . 1 1 40 40 PRO C C 13 172.456 0.3 . 1 . . . . 40 PRO C . 25851 1 173 . 1 1 40 40 PRO CA C 13 63.268 0.3 . 1 . . . . 40 PRO CA . 25851 1 174 . 1 1 41 41 THR H H 1 8.738 0.020 . 1 . . . . 41 THR H . 25851 1 175 . 1 1 41 41 THR HA H 1 4.080 0.020 . 1 . . . . 41 THR HA . 25851 1 176 . 1 1 41 41 THR C C 13 171.397 0.3 . 1 . . . . 41 THR C . 25851 1 177 . 1 1 41 41 THR CA C 13 63.596 0.3 . 1 . . . . 41 THR CA . 25851 1 178 . 1 1 41 41 THR N N 15 118.147 0.3 . 1 . . . . 41 THR N . 25851 1 179 . 1 1 42 42 LEU H H 1 7.631 0.020 . 1 . . . . 42 LEU H . 25851 1 180 . 1 1 42 42 LEU HA H 1 4.668 0.020 . 1 . . . . 42 LEU HA . 25851 1 181 . 1 1 42 42 LEU C C 13 173.351 0.3 . 1 . . . . 42 LEU C . 25851 1 182 . 1 1 42 42 LEU CA C 13 54.037 0.3 . 1 . . . . 42 LEU CA . 25851 1 183 . 1 1 42 42 LEU N N 15 126.839 0.3 . 1 . . . . 42 LEU N . 25851 1 184 . 1 1 43 43 THR H H 1 8.914 0.020 . 1 . . . . 43 THR H . 25851 1 185 . 1 1 43 43 THR HA H 1 4.007 0.020 . 1 . . . . 43 THR HA . 25851 1 186 . 1 1 43 43 THR C C 13 171.070 0.3 . 1 . . . . 43 THR C . 25851 1 187 . 1 1 43 43 THR CA C 13 63.469 0.3 . 1 . . . . 43 THR CA . 25851 1 188 . 1 1 43 43 THR N N 15 113.127 0.3 . 1 . . . . 43 THR N . 25851 1 189 . 1 1 44 44 ASN H H 1 7.649 0.020 . 1 . . . . 44 ASN H . 25851 1 190 . 1 1 44 44 ASN HA H 1 4.040 0.020 . 1 . . . . 44 ASN HA . 25851 1 191 . 1 1 44 44 ASN C C 13 170.775 0.3 . 1 . . . . 44 ASN C . 25851 1 192 . 1 1 44 44 ASN CA C 13 51.436 0.3 . 1 . . . . 44 ASN CA . 25851 1 193 . 1 1 44 44 ASN N N 15 116.740 0.3 . 1 . . . . 44 ASN N . 25851 1 194 . 1 1 45 45 PHE H H 1 8.756 0.020 . 1 . . . . 45 PHE H . 25851 1 195 . 1 1 45 45 PHE CA C 13 57.152 0.3 . 1 . . . . 45 PHE CA . 25851 1 196 . 1 1 45 45 PHE N N 15 121.995 0.3 . 1 . . . . 45 PHE N . 25851 1 197 . 1 1 47 47 SER HA H 1 4.543 0.020 . 1 . . . . 47 SER HA . 25851 1 198 . 1 1 47 47 SER C C 13 172.009 0.3 . 1 . . . . 47 SER C . 25851 1 199 . 1 1 47 47 SER CA C 13 58.329 0.3 . 1 . . . . 47 SER CA . 25851 1 200 . 1 1 48 48 GLY H H 1 8.069 0.020 . 1 . . . . 48 GLY H . 25851 1 201 . 1 1 48 48 GLY HA2 H 1 3.916 0.020 . 2 . . . . 48 GLY HA2 . 25851 1 202 . 1 1 48 48 GLY HA3 H 1 4.178 0.020 . 2 . . . . 48 GLY HA3 . 25851 1 203 . 1 1 48 48 GLY C C 13 169.913 0.3 . 1 . . . . 48 GLY C . 25851 1 204 . 1 1 48 48 GLY CA C 13 44.454 0.3 . 1 . . . . 48 GLY CA . 25851 1 205 . 1 1 48 48 GLY N N 15 111.584 0.3 . 1 . . . . 48 GLY N . 25851 1 206 . 1 1 49 49 GLU H H 1 8.347 0.020 . 1 . . . . 49 GLU H . 25851 1 207 . 1 1 49 49 GLU HA H 1 4.324 0.020 . 1 . . . . 49 GLU HA . 25851 1 208 . 1 1 49 49 GLU C C 13 172.827 0.3 . 1 . . . . 49 GLU C . 25851 1 209 . 1 1 49 49 GLU CA C 13 57.417 0.3 . 1 . . . . 49 GLU CA . 25851 1 210 . 1 1 49 49 GLU N N 15 121.487 0.3 . 1 . . . . 49 GLU N . 25851 1 211 . 1 1 50 50 TRP H H 1 8.601 0.020 . 1 . . . . 50 TRP H . 25851 1 212 . 1 1 50 50 TRP C C 13 174.572 0.3 . 1 . . . . 50 TRP C . 25851 1 213 . 1 1 50 50 TRP CA C 13 60.637 0.3 . 1 . . . . 50 TRP CA . 25851 1 214 . 1 1 50 50 TRP N N 15 125.940 0.3 . 1 . . . . 50 TRP N . 25851 1 215 . 1 1 51 51 ILE H H 1 5.569 0.020 . 1 . . . . 51 ILE H . 25851 1 216 . 1 1 51 51 ILE HA H 1 4.787 0.020 . 1 . . . . 51 ILE HA . 25851 1 217 . 1 1 51 51 ILE C C 13 170.841 0.3 . 1 . . . . 51 ILE C . 25851 1 218 . 1 1 51 51 ILE CA C 13 57.915 0.3 . 1 . . . . 51 ILE CA . 25851 1 219 . 1 1 51 51 ILE N N 15 121.708 0.3 . 1 . . . . 51 ILE N . 25851 1 220 . 1 1 52 52 CYS H H 1 9.340 0.020 . 1 . . . . 52 CYS H . 25851 1 221 . 1 1 52 52 CYS HA H 1 4.127 0.020 . 1 . . . . 52 CYS HA . 25851 1 222 . 1 1 52 52 CYS C C 13 173.493 0.3 . 1 . . . . 52 CYS C . 25851 1 223 . 1 1 52 52 CYS CA C 13 58.205 0.3 . 1 . . . . 52 CYS CA . 25851 1 224 . 1 1 52 52 CYS N N 15 130.862 0.3 . 1 . . . . 52 CYS N . 25851 1 225 . 1 1 53 53 THR H H 1 10.237 0.020 . 1 . . . . 53 THR H . 25851 1 226 . 1 1 53 53 THR HA H 1 3.806 0.020 . 1 . . . . 53 THR HA . 25851 1 227 . 1 1 53 53 THR C C 13 173.406 0.3 . 1 . . . . 53 THR C . 25851 1 228 . 1 1 53 53 THR CA C 13 66.291 0.3 . 1 . . . . 53 THR CA . 25851 1 229 . 1 1 53 53 THR N N 15 119.652 0.3 . 1 . . . . 53 THR N . 25851 1 230 . 1 1 54 54 PHE H H 1 9.047 0.020 . 1 . . . . 54 PHE H . 25851 1 231 . 1 1 54 54 PHE C C 13 174.661 0.3 . 1 . . . . 54 PHE C . 25851 1 232 . 1 1 54 54 PHE CA C 13 60.918 0.3 . 1 . . . . 54 PHE CA . 25851 1 233 . 1 1 54 54 PHE N N 15 120.901 0.3 . 1 . . . . 54 PHE N . 25851 1 234 . 1 1 55 55 CYS H H 1 7.845 0.020 . 1 . . . . 55 CYS H . 25851 1 235 . 1 1 55 55 CYS HA H 1 4.251 0.020 . 1 . . . . 55 CYS HA . 25851 1 236 . 1 1 55 55 CYS C C 13 174.170 0.3 . 1 . . . . 55 CYS C . 25851 1 237 . 1 1 55 55 CYS CA C 13 62.374 0.3 . 1 . . . . 55 CYS CA . 25851 1 238 . 1 1 55 55 CYS N N 15 121.049 0.3 . 1 . . . . 55 CYS N . 25851 1 239 . 1 1 56 56 ARG H H 1 8.120 0.020 . 1 . . . . 56 ARG H . 25851 1 240 . 1 1 56 56 ARG C C 13 171.900 0.3 . 1 . . . . 56 ARG C . 25851 1 241 . 1 1 56 56 ARG CA C 13 61.983 0.3 . 1 . . . . 56 ARG CA . 25851 1 242 . 1 1 56 56 ARG N N 15 126.819 0.3 . 1 . . . . 56 ARG N . 25851 1 243 . 1 1 57 57 ASP H H 1 7.914 0.020 . 1 . . . . 57 ASP H . 25851 1 244 . 1 1 57 57 ASP CA C 13 53.858 0.3 . 1 . . . . 57 ASP CA . 25851 1 245 . 1 1 57 57 ASP N N 15 113.984 0.3 . 1 . . . . 57 ASP N . 25851 1 246 . 1 1 62 62 GLU HA H 1 4.239 0.020 . 1 . . . . 62 GLU HA . 25851 1 247 . 1 1 62 62 GLU C C 13 173.166 0.3 . 1 . . . . 62 GLU C . 25851 1 248 . 1 1 62 62 GLU CA C 13 56.919 0.3 . 1 . . . . 62 GLU CA . 25851 1 249 . 1 1 63 63 VAL H H 1 7.963 0.020 . 1 . . . . 63 VAL H . 25851 1 250 . 1 1 63 63 VAL HA H 1 3.798 0.020 . 1 . . . . 63 VAL HA . 25851 1 251 . 1 1 63 63 VAL CA C 13 61.848 0.3 . 1 . . . . 63 VAL CA . 25851 1 252 . 1 1 63 63 VAL N N 15 119.787 0.3 . 1 . . . . 63 VAL N . 25851 1 253 . 1 1 66 66 ASP HA H 1 4.586 0.020 . 1 . . . . 66 ASP HA . 25851 1 254 . 1 1 66 66 ASP C C 13 173.319 0.3 . 1 . . . . 66 ASP C . 25851 1 255 . 1 1 66 66 ASP CA C 13 55.829 0.3 . 1 . . . . 66 ASP CA . 25851 1 256 . 1 1 67 67 CYS H H 1 8.057 0.020 . 1 . . . . 67 CYS H . 25851 1 257 . 1 1 67 67 CYS HA H 1 4.562 0.020 . 1 . . . . 67 CYS HA . 25851 1 258 . 1 1 67 67 CYS C C 13 171.168 0.3 . 1 . . . . 67 CYS C . 25851 1 259 . 1 1 67 67 CYS CA C 13 57.579 0.3 . 1 . . . . 67 CYS CA . 25851 1 260 . 1 1 67 67 CYS N N 15 117.971 0.3 . 1 . . . . 67 CYS N . 25851 1 261 . 1 1 68 68 ASP H H 1 8.206 0.020 . 1 . . . . 68 ASP H . 25851 1 262 . 1 1 68 68 ASP HA H 1 4.720 0.020 . 1 . . . . 68 ASP HA . 25851 1 263 . 1 1 68 68 ASP C C 13 172.675 0.3 . 1 . . . . 68 ASP C . 25851 1 264 . 1 1 68 68 ASP CA C 13 54.854 0.3 . 1 . . . . 68 ASP CA . 25851 1 265 . 1 1 68 68 ASP N N 15 122.392 0.3 . 1 . . . . 68 ASP N . 25851 1 266 . 1 1 69 69 ALA H H 1 7.909 0.020 . 1 . . . . 69 ALA H . 25851 1 267 . 1 1 69 69 ALA HA H 1 4.554 0.020 . 1 . . . . 69 ALA HA . 25851 1 268 . 1 1 69 69 ALA CA C 13 50.973 0.3 . 1 . . . . 69 ALA CA . 25851 1 269 . 1 1 69 69 ALA N N 15 125.120 0.3 . 1 . . . . 69 ALA N . 25851 1 270 . 1 1 70 70 PRO C C 13 173.002 0.3 . 1 . . . . 70 PRO C . 25851 1 271 . 1 1 70 70 PRO CA C 13 64.569 0.3 . 1 . . . . 70 PRO CA . 25851 1 272 . 1 1 71 71 SER H H 1 10.292 0.020 . 1 . . . . 71 SER H . 25851 1 273 . 1 1 71 71 SER CA C 13 60.729 0.3 . 1 . . . . 71 SER CA . 25851 1 274 . 1 1 71 71 SER N N 15 116.830 0.3 . 1 . . . . 71 SER N . 25851 1 275 . 1 1 77 77 LYS C C 13 171.059 0.3 . 1 . . . . 77 LYS C . 25851 1 276 . 1 1 78 78 LYS H H 1 8.490 0.020 . 1 . . . . 78 LYS H . 25851 1 277 . 1 1 78 78 LYS HA H 1 4.600 0.020 . 1 . . . . 78 LYS HA . 25851 1 278 . 1 1 78 78 LYS C C 13 172.609 0.3 . 1 . . . . 78 LYS C . 25851 1 279 . 1 1 78 78 LYS CA C 13 55.062 0.3 . 1 . . . . 78 LYS CA . 25851 1 280 . 1 1 78 78 LYS N N 15 124.708 0.3 . 1 . . . . 78 LYS N . 25851 1 281 . 1 1 79 79 THR H H 1 7.846 0.020 . 1 . . . . 79 THR H . 25851 1 282 . 1 1 79 79 THR HA H 1 4.057 0.020 . 1 . . . . 79 THR HA . 25851 1 283 . 1 1 79 79 THR C C 13 172.151 0.3 . 1 . . . . 79 THR C . 25851 1 284 . 1 1 79 79 THR CA C 13 58.232 0.3 . 1 . . . . 79 THR CA . 25851 1 285 . 1 1 79 79 THR N N 15 114.513 0.3 . 1 . . . . 79 THR N . 25851 1 286 . 1 1 80 80 GLU H H 1 9.003 0.020 . 1 . . . . 80 GLU H . 25851 1 287 . 1 1 80 80 GLU CA C 13 60.303 0.3 . 1 . . . . 80 GLU CA . 25851 1 288 . 1 1 80 80 GLU N N 15 122.812 0.3 . 1 . . . . 80 GLU N . 25851 1 289 . 1 1 81 81 GLY HA2 H 1 3.940 0.020 . 1 . . . . 81 GLY HA2 . 25851 1 290 . 1 1 81 81 GLY HA3 H 1 3.940 0.020 . 1 . . . . 81 GLY HA3 . 25851 1 291 . 1 1 81 81 GLY C C 13 171.026 0.3 . 1 . . . . 81 GLY C . 25851 1 292 . 1 1 81 81 GLY CA C 13 45.481 0.3 . 1 . . . . 81 GLY CA . 25851 1 293 . 1 1 82 82 LEU H H 1 7.837 0.020 . 1 . . . . 82 LEU H . 25851 1 294 . 1 1 82 82 LEU HA H 1 4.391 0.020 . 1 . . . . 82 LEU HA . 25851 1 295 . 1 1 82 82 LEU C C 13 174.039 0.3 . 1 . . . . 82 LEU C . 25851 1 296 . 1 1 82 82 LEU CA C 13 55.232 0.3 . 1 . . . . 82 LEU CA . 25851 1 297 . 1 1 82 82 LEU N N 15 121.062 0.3 . 1 . . . . 82 LEU N . 25851 1 298 . 1 1 83 83 VAL H H 1 8.194 0.020 . 1 . . . . 83 VAL H . 25851 1 299 . 1 1 83 83 VAL HA H 1 4.147 0.020 . 1 . . . . 83 VAL HA . 25851 1 300 . 1 1 83 83 VAL C C 13 172.216 0.3 . 1 . . . . 83 VAL C . 25851 1 301 . 1 1 83 83 VAL CA C 13 62.410 0.3 . 1 . . . . 83 VAL CA . 25851 1 302 . 1 1 83 83 VAL N N 15 122.366 0.3 . 1 . . . . 83 VAL N . 25851 1 303 . 1 1 84 84 LYS H H 1 8.229 0.020 . 1 . . . . 84 LYS H . 25851 1 304 . 1 1 84 84 LYS HA H 1 4.684 0.020 . 1 . . . . 84 LYS HA . 25851 1 305 . 1 1 84 84 LYS C C 13 170.349 0.3 . 1 . . . . 84 LYS C . 25851 1 306 . 1 1 84 84 LYS CA C 13 55.264 0.3 . 1 . . . . 84 LYS CA . 25851 1 307 . 1 1 84 84 LYS N N 15 124.827 0.3 . 1 . . . . 84 LYS N . 25851 1 308 . 1 1 85 85 LEU H H 1 8.034 0.020 . 1 . . . . 85 LEU H . 25851 1 309 . 1 1 85 85 LEU HA H 1 4.367 0.020 . 1 . . . . 85 LEU HA . 25851 1 310 . 1 1 85 85 LEU C C 13 175.284 0.3 . 1 . . . . 85 LEU C . 25851 1 311 . 1 1 85 85 LEU CA C 13 55.109 0.3 . 1 . . . . 85 LEU CA . 25851 1 312 . 1 1 85 85 LEU N N 15 121.780 0.3 . 1 . . . . 85 LEU N . 25851 1 313 . 1 1 86 86 THR H H 1 9.422 0.020 . 1 . . . . 86 THR H . 25851 1 314 . 1 1 86 86 THR HA H 1 4.589 0.020 . 1 . . . . 86 THR HA . 25851 1 315 . 1 1 86 86 THR CA C 13 61.249 0.3 . 1 . . . . 86 THR CA . 25851 1 316 . 1 1 86 86 THR N N 15 118.498 0.3 . 1 . . . . 86 THR N . 25851 1 317 . 1 1 87 87 PRO HA H 1 4.281 0.020 . 1 . . . . 87 PRO HA . 25851 1 318 . 1 1 87 87 PRO C C 13 175.830 0.3 . 1 . . . . 87 PRO C . 25851 1 319 . 1 1 87 87 PRO CA C 13 66.116 0.3 . 1 . . . . 87 PRO CA . 25851 1 320 . 1 1 88 88 ILE H H 1 7.928 0.020 . 1 . . . . 88 ILE H . 25851 1 321 . 1 1 88 88 ILE HA H 1 3.934 0.020 . 1 . . . . 88 ILE HA . 25851 1 322 . 1 1 88 88 ILE C C 13 173.613 0.3 . 1 . . . . 88 ILE C . 25851 1 323 . 1 1 88 88 ILE CA C 13 64.992 0.3 . 1 . . . . 88 ILE CA . 25851 1 324 . 1 1 88 88 ILE N N 15 113.986 0.3 . 1 . . . . 88 ILE N . 25851 1 325 . 1 1 89 89 ASP H H 1 7.615 0.020 . 1 . . . . 89 ASP H . 25851 1 326 . 1 1 89 89 ASP HA H 1 4.824 0.020 . 1 . . . . 89 ASP HA . 25851 1 327 . 1 1 89 89 ASP C C 13 174.923 0.3 . 1 . . . . 89 ASP C . 25851 1 328 . 1 1 89 89 ASP CA C 13 58.213 0.3 . 1 . . . . 89 ASP CA . 25851 1 329 . 1 1 89 89 ASP N N 15 121.104 0.3 . 1 . . . . 89 ASP N . 25851 1 330 . 1 1 90 90 LYS H H 1 8.468 0.020 . 1 . . . . 90 LYS H . 25851 1 331 . 1 1 90 90 LYS HA H 1 4.129 0.020 . 1 . . . . 90 LYS HA . 25851 1 332 . 1 1 90 90 LYS C C 13 175.254 0.3 . 1 . . . . 90 LYS C . 25851 1 333 . 1 1 90 90 LYS CA C 13 60.849 0.3 . 1 . . . . 90 LYS CA . 25851 1 334 . 1 1 90 90 LYS N N 15 121.662 0.3 . 1 . . . . 90 LYS N . 25851 1 335 . 1 1 91 91 ARG H H 1 8.167 0.020 . 1 . . . . 91 ARG H . 25851 1 336 . 1 1 91 91 ARG HA H 1 4.245 0.020 . 1 . . . . 91 ARG HA . 25851 1 337 . 1 1 91 91 ARG C C 13 177.260 0.3 . 1 . . . . 91 ARG C . 25851 1 338 . 1 1 91 91 ARG CA C 13 59.466 0.3 . 1 . . . . 91 ARG CA . 25851 1 339 . 1 1 91 91 ARG N N 15 117.561 0.3 . 1 . . . . 91 ARG N . 25851 1 340 . 1 1 92 92 LYS H H 1 8.742 0.020 . 1 . . . . 92 LYS H . 25851 1 341 . 1 1 92 92 LYS HA H 1 3.846 0.020 . 1 . . . . 92 LYS HA . 25851 1 342 . 1 1 92 92 LYS C C 13 174.858 0.3 . 1 . . . . 92 LYS C . 25851 1 343 . 1 1 92 92 LYS CA C 13 61.792 0.3 . 1 . . . . 92 LYS CA . 25851 1 344 . 1 1 92 92 LYS N N 15 120.490 0.3 . 1 . . . . 92 LYS N . 25851 1 345 . 1 1 93 93 CYS H H 1 8.259 0.020 . 1 . . . . 93 CYS H . 25851 1 346 . 1 1 93 93 CYS HA H 1 3.757 0.020 . 1 . . . . 93 CYS HA . 25851 1 347 . 1 1 93 93 CYS C C 13 173.843 0.3 . 1 . . . . 93 CYS C . 25851 1 348 . 1 1 93 93 CYS CA C 13 63.234 0.3 . 1 . . . . 93 CYS CA . 25851 1 349 . 1 1 93 93 CYS N N 15 119.733 0.3 . 1 . . . . 93 CYS N . 25851 1 350 . 1 1 94 94 GLU H H 1 8.527 0.020 . 1 . . . . 94 GLU H . 25851 1 351 . 1 1 94 94 GLU HA H 1 3.587 0.020 . 1 . . . . 94 GLU HA . 25851 1 352 . 1 1 94 94 GLU C C 13 174.607 0.3 . 1 . . . . 94 GLU C . 25851 1 353 . 1 1 94 94 GLU CA C 13 59.675 0.3 . 1 . . . . 94 GLU CA . 25851 1 354 . 1 1 94 94 GLU N N 15 119.494 0.3 . 1 . . . . 94 GLU N . 25851 1 355 . 1 1 95 95 ARG H H 1 8.042 0.020 . 1 . . . . 95 ARG H . 25851 1 356 . 1 1 95 95 ARG HA H 1 3.532 0.020 . 1 . . . . 95 ARG HA . 25851 1 357 . 1 1 95 95 ARG C C 13 174.618 0.3 . 1 . . . . 95 ARG C . 25851 1 358 . 1 1 95 95 ARG CA C 13 59.955 0.3 . 1 . . . . 95 ARG CA . 25851 1 359 . 1 1 95 95 ARG N N 15 118.088 0.3 . 1 . . . . 95 ARG N . 25851 1 360 . 1 1 96 96 LEU H H 1 8.621 0.020 . 1 . . . . 96 LEU H . 25851 1 361 . 1 1 96 96 LEU HA H 1 4.092 0.020 . 1 . . . . 96 LEU HA . 25851 1 362 . 1 1 96 96 LEU C C 13 175.568 0.3 . 1 . . . . 96 LEU C . 25851 1 363 . 1 1 96 96 LEU CA C 13 59.379 0.3 . 1 . . . . 96 LEU CA . 25851 1 364 . 1 1 96 96 LEU N N 15 119.963 0.3 . 1 . . . . 96 LEU N . 25851 1 365 . 1 1 97 97 LEU H H 1 8.855 0.020 . 1 . . . . 97 LEU H . 25851 1 366 . 1 1 97 97 LEU HA H 1 4.312 0.020 . 1 . . . . 97 LEU HA . 25851 1 367 . 1 1 97 97 LEU C C 13 175.797 0.3 . 1 . . . . 97 LEU C . 25851 1 368 . 1 1 97 97 LEU CA C 13 58.261 0.3 . 1 . . . . 97 LEU CA . 25851 1 369 . 1 1 97 97 LEU N N 15 116.623 0.3 . 1 . . . . 97 LEU N . 25851 1 370 . 1 1 98 98 LEU H H 1 8.585 0.020 . 1 . . . . 98 LEU H . 25851 1 371 . 1 1 98 98 LEU HA H 1 4.361 0.020 . 1 . . . . 98 LEU HA . 25851 1 372 . 1 1 98 98 LEU C C 13 176.725 0.3 . 1 . . . . 98 LEU C . 25851 1 373 . 1 1 98 98 LEU CA C 13 58.122 0.3 . 1 . . . . 98 LEU CA . 25851 1 374 . 1 1 98 98 LEU N N 15 121.135 0.3 . 1 . . . . 98 LEU N . 25851 1 375 . 1 1 99 99 PHE H H 1 9.344 0.020 . 1 . . . . 99 PHE H . 25851 1 376 . 1 1 99 99 PHE HA H 1 4.684 0.020 . 1 . . . . 99 PHE HA . 25851 1 377 . 1 1 99 99 PHE C C 13 177.533 0.3 . 1 . . . . 99 PHE C . 25851 1 378 . 1 1 99 99 PHE CA C 13 63.409 0.3 . 1 . . . . 99 PHE CA . 25851 1 379 . 1 1 99 99 PHE N N 15 118.791 0.3 . 1 . . . . 99 PHE N . 25851 1 380 . 1 1 100 100 LEU H H 1 8.347 0.020 . 1 . . . . 100 LEU H . 25851 1 381 . 1 1 100 100 LEU HA H 1 4.464 0.020 . 1 . . . . 100 LEU HA . 25851 1 382 . 1 1 100 100 LEU C C 13 176.561 0.3 . 1 . . . . 100 LEU C . 25851 1 383 . 1 1 100 100 LEU CA C 13 59.540 0.3 . 1 . . . . 100 LEU CA . 25851 1 384 . 1 1 100 100 LEU N N 15 118.718 0.3 . 1 . . . . 100 LEU N . 25851 1 385 . 1 1 101 101 TYR H H 1 9.364 0.020 . 1 . . . . 101 TYR H . 25851 1 386 . 1 1 101 101 TYR HA H 1 4.050 0.020 . 1 . . . . 101 TYR HA . 25851 1 387 . 1 1 101 101 TYR C C 13 174.782 0.3 . 1 . . . . 101 TYR C . 25851 1 388 . 1 1 101 101 TYR CA C 13 64.370 0.3 . 1 . . . . 101 TYR CA . 25851 1 389 . 1 1 101 101 TYR N N 15 119.084 0.3 . 1 . . . . 101 TYR N . 25851 1 390 . 1 1 102 102 CYS H H 1 7.967 0.020 . 1 . . . . 102 CYS H . 25851 1 391 . 1 1 102 102 CYS HA H 1 4.702 0.020 . 1 . . . . 102 CYS HA . 25851 1 392 . 1 1 102 102 CYS C C 13 170.852 0.3 . 1 . . . . 102 CYS C . 25851 1 393 . 1 1 102 102 CYS CA C 13 61.748 0.3 . 1 . . . . 102 CYS CA . 25851 1 394 . 1 1 102 102 CYS N N 15 111.056 0.3 . 1 . . . . 102 CYS N . 25851 1 395 . 1 1 103 103 HIS H H 1 8.007 0.020 . 1 . . . . 103 HIS H . 25851 1 396 . 1 1 103 103 HIS HA H 1 4.324 0.020 . 1 . . . . 103 HIS HA . 25851 1 397 . 1 1 103 103 HIS C C 13 174.694 0.3 . 1 . . . . 103 HIS C . 25851 1 398 . 1 1 103 103 HIS CA C 13 58.311 0.3 . 1 . . . . 103 HIS CA . 25851 1 399 . 1 1 103 103 HIS N N 15 123.772 0.3 . 1 . . . . 103 HIS N . 25851 1 400 . 1 1 104 104 GLU H H 1 8.843 0.020 . 1 . . . . 104 GLU H . 25851 1 401 . 1 1 104 104 GLU CA C 13 59.267 0.3 . 1 . . . . 104 GLU CA . 25851 1 402 . 1 1 104 104 GLU N N 15 129.104 0.3 . 1 . . . . 104 GLU N . 25851 1 403 . 1 1 105 105 MET HA H 1 4.975 0.020 . 1 . . . . 105 MET HA . 25851 1 404 . 1 1 105 105 MET C C 13 174.814 0.3 . 1 . . . . 105 MET C . 25851 1 405 . 1 1 105 105 MET CA C 13 55.236 0.3 . 1 . . . . 105 MET CA . 25851 1 406 . 1 1 106 106 SER H H 1 8.586 0.020 . 1 . . . . 106 SER H . 25851 1 407 . 1 1 106 106 SER HA H 1 4.537 0.020 . 1 . . . . 106 SER HA . 25851 1 408 . 1 1 106 106 SER C C 13 173.799 0.3 . 1 . . . . 106 SER C . 25851 1 409 . 1 1 106 106 SER CA C 13 60.670 0.3 . 1 . . . . 106 SER CA . 25851 1 410 . 1 1 106 106 SER N N 15 114.396 0.3 . 1 . . . . 106 SER N . 25851 1 411 . 1 1 107 107 LEU H H 1 7.400 0.020 . 1 . . . . 107 LEU H . 25851 1 412 . 1 1 107 107 LEU HA H 1 3.940 0.020 . 1 . . . . 107 LEU HA . 25851 1 413 . 1 1 107 107 LEU C C 13 175.703 0.3 . 1 . . . . 107 LEU C . 25851 1 414 . 1 1 107 107 LEU CA C 13 59.756 0.3 . 1 . . . . 107 LEU CA . 25851 1 415 . 1 1 107 107 LEU N N 15 124.006 0.3 . 1 . . . . 107 LEU N . 25851 1 416 . 1 1 108 108 ALA H H 1 8.660 0.020 . 1 . . . . 108 ALA H . 25851 1 417 . 1 1 108 108 ALA HA H 1 3.971 0.020 . 1 . . . . 108 ALA HA . 25851 1 418 . 1 1 108 108 ALA C C 13 174.552 0.3 . 1 . . . . 108 ALA C . 25851 1 419 . 1 1 108 108 ALA CA C 13 53.686 0.3 . 1 . . . . 108 ALA CA . 25851 1 420 . 1 1 108 108 ALA N N 15 117.971 0.3 . 1 . . . . 108 ALA N . 25851 1 421 . 1 1 109 109 PHE H H 1 8.038 0.020 . 1 . . . . 109 PHE H . 25851 1 422 . 1 1 109 109 PHE HA H 1 4.988 0.020 . 1 . . . . 109 PHE HA . 25851 1 423 . 1 1 109 109 PHE C C 13 172.271 0.3 . 1 . . . . 109 PHE C . 25851 1 424 . 1 1 109 109 PHE CA C 13 56.378 0.3 . 1 . . . . 109 PHE CA . 25851 1 425 . 1 1 109 109 PHE N N 15 115.510 0.3 . 1 . . . . 109 PHE N . 25851 1 426 . 1 1 110 110 GLN H H 1 7.346 0.020 . 1 . . . . 110 GLN H . 25851 1 427 . 1 1 110 110 GLN HA H 1 3.843 0.020 . 1 . . . . 110 GLN HA . 25851 1 428 . 1 1 110 110 GLN C C 13 171.146 0.3 . 1 . . . . 110 GLN C . 25851 1 429 . 1 1 110 110 GLN CA C 13 59.614 0.3 . 1 . . . . 110 GLN CA . 25851 1 430 . 1 1 110 110 GLN N N 15 119.084 0.3 . 1 . . . . 110 GLN N . 25851 1 431 . 1 1 111 111 ASP H H 1 7.982 0.020 . 1 . . . . 111 ASP H . 25851 1 432 . 1 1 111 111 ASP HA H 1 5.271 0.020 . 1 . . . . 111 ASP HA . 25851 1 433 . 1 1 111 111 ASP CA C 13 51.719 0.3 . 1 . . . . 111 ASP CA . 25851 1 434 . 1 1 111 111 ASP N N 15 116.799 0.3 . 1 . . . . 111 ASP N . 25851 1 435 . 1 1 114 114 PRO HA H 1 4.415 0.020 . 1 . . . . 114 PRO HA . 25851 1 436 . 1 1 114 114 PRO C C 13 173.941 0.3 . 1 . . . . 114 PRO C . 25851 1 437 . 1 1 114 114 PRO CA C 13 63.542 0.3 . 1 . . . . 114 PRO CA . 25851 1 438 . 1 1 115 115 LEU H H 1 8.413 0.020 . 1 . . . . 115 LEU H . 25851 1 439 . 1 1 115 115 LEU HA H 1 4.153 0.020 . 1 . . . . 115 LEU HA . 25851 1 440 . 1 1 115 115 LEU C C 13 174.727 0.3 . 1 . . . . 115 LEU C . 25851 1 441 . 1 1 115 115 LEU CA C 13 56.857 0.3 . 1 . . . . 115 LEU CA . 25851 1 442 . 1 1 115 115 LEU N N 15 119.787 0.3 . 1 . . . . 115 LEU N . 25851 1 443 . 1 1 116 116 THR H H 1 7.119 0.020 . 1 . . . . 116 THR H . 25851 1 444 . 1 1 116 116 THR HA H 1 4.099 0.020 . 1 . . . . 116 THR HA . 25851 1 445 . 1 1 116 116 THR C C 13 172.009 0.3 . 1 . . . . 116 THR C . 25851 1 446 . 1 1 116 116 THR CA C 13 61.451 0.3 . 1 . . . . 116 THR CA . 25851 1 447 . 1 1 116 116 THR N N 15 104.435 0.3 . 1 . . . . 116 THR N . 25851 1 448 . 1 1 117 117 VAL H H 1 7.436 0.020 . 1 . . . . 117 VAL H . 25851 1 449 . 1 1 117 117 VAL HA H 1 4.354 0.020 . 1 . . . . 117 VAL HA . 25851 1 450 . 1 1 117 117 VAL CA C 13 61.127 0.3 . 1 . . . . 117 VAL CA . 25851 1 451 . 1 1 117 117 VAL N N 15 125.530 0.3 . 1 . . . . 117 VAL N . 25851 1 452 . 1 1 118 118 PRO HA H 1 4.342 0.020 . 1 . . . . 118 PRO HA . 25851 1 453 . 1 1 118 118 PRO C C 13 175.175 0.3 . 1 . . . . 118 PRO C . 25851 1 454 . 1 1 118 118 PRO CA C 13 64.923 0.3 . 1 . . . . 118 PRO CA . 25851 1 455 . 1 1 119 119 ASP H H 1 8.804 0.020 . 1 . . . . 119 ASP H . 25851 1 456 . 1 1 119 119 ASP HA H 1 4.409 0.020 . 1 . . . . 119 ASP HA . 25851 1 457 . 1 1 119 119 ASP C C 13 174.290 0.3 . 1 . . . . 119 ASP C . 25851 1 458 . 1 1 119 119 ASP CA C 13 57.137 0.3 . 1 . . . . 119 ASP CA . 25851 1 459 . 1 1 119 119 ASP N N 15 116.975 0.3 . 1 . . . . 119 ASP N . 25851 1 460 . 1 1 120 120 TYR H H 1 7.670 0.020 . 1 . . . . 120 TYR H . 25851 1 461 . 1 1 120 120 TYR CA C 13 63.373 0.3 . 1 . . . . 120 TYR CA . 25851 1 462 . 1 1 120 120 TYR N N 15 122.307 0.3 . 1 . . . . 120 TYR N . 25851 1 463 . 1 1 121 121 TYR HA H 1 4.143 0.020 . 1 . . . . 121 TYR HA . 25851 1 464 . 1 1 121 121 TYR C C 13 173.472 0.3 . 1 . . . . 121 TYR C . 25851 1 465 . 1 1 121 121 TYR CA C 13 60.540 0.3 . 1 . . . . 121 TYR CA . 25851 1 466 . 1 1 122 122 LYS H H 1 7.408 0.020 . 1 . . . . 122 LYS H . 25851 1 467 . 1 1 122 122 LYS HA H 1 4.202 0.020 . 1 . . . . 122 LYS HA . 25851 1 468 . 1 1 122 122 LYS C C 13 174.127 0.3 . 1 . . . . 122 LYS C . 25851 1 469 . 1 1 122 122 LYS CA C 13 57.819 0.3 . 1 . . . . 122 LYS CA . 25851 1 470 . 1 1 122 122 LYS N N 15 119.143 0.3 . 1 . . . . 122 LYS N . 25851 1 471 . 1 1 123 123 ILE H H 1 7.291 0.020 . 1 . . . . 123 ILE H . 25851 1 472 . 1 1 123 123 ILE HA H 1 3.870 0.020 . 1 . . . . 123 ILE HA . 25851 1 473 . 1 1 123 123 ILE C C 13 172.686 0.3 . 1 . . . . 123 ILE C . 25851 1 474 . 1 1 123 123 ILE CA C 13 62.550 0.3 . 1 . . . . 123 ILE CA . 25851 1 475 . 1 1 123 123 ILE N N 15 118.557 0.3 . 1 . . . . 123 ILE N . 25851 1 476 . 1 1 124 124 ILE H H 1 8.098 0.020 . 1 . . . . 124 ILE H . 25851 1 477 . 1 1 124 124 ILE HA H 1 3.897 0.020 . 1 . . . . 124 ILE HA . 25851 1 478 . 1 1 124 124 ILE C C 13 171.779 0.3 . 1 . . . . 124 ILE C . 25851 1 479 . 1 1 124 124 ILE CA C 13 56.994 0.3 . 1 . . . . 124 ILE CA . 25851 1 480 . 1 1 124 124 ILE N N 15 121.339 0.3 . 1 . . . . 124 ILE N . 25851 1 481 . 1 1 125 125 LYS H H 1 7.827 0.020 . 1 . . . . 125 LYS H . 25851 1 482 . 1 1 125 125 LYS HA H 1 4.062 0.020 . 1 . . . . 125 LYS HA . 25851 1 483 . 1 1 125 125 LYS C C 13 173.799 0.3 . 1 . . . . 125 LYS C . 25851 1 484 . 1 1 125 125 LYS CA C 13 57.297 0.3 . 1 . . . . 125 LYS CA . 25851 1 485 . 1 1 125 125 LYS N N 15 125.413 0.3 . 1 . . . . 125 LYS N . 25851 1 486 . 1 1 126 126 ASN H H 1 8.421 0.020 . 1 . . . . 126 ASN H . 25851 1 487 . 1 1 126 126 ASN CA C 13 50.407 0.3 . 1 . . . . 126 ASN CA . 25851 1 488 . 1 1 126 126 ASN N N 15 116.564 0.3 . 1 . . . . 126 ASN N . 25851 1 489 . 1 1 127 127 PRO C C 13 172.063 0.3 . 1 . . . . 127 PRO C . 25851 1 490 . 1 1 127 127 PRO CA C 13 63.046 0.3 . 1 . . . . 127 PRO CA . 25851 1 491 . 1 1 128 128 MET H H 1 8.331 0.020 . 1 . . . . 128 MET H . 25851 1 492 . 1 1 128 128 MET HA H 1 4.958 0.020 . 1 . . . . 128 MET HA . 25851 1 493 . 1 1 128 128 MET C C 13 169.323 0.3 . 1 . . . . 128 MET C . 25851 1 494 . 1 1 128 128 MET CA C 13 53.312 0.3 . 1 . . . . 128 MET CA . 25851 1 495 . 1 1 128 128 MET N N 15 118.794 0.3 . 1 . . . . 128 MET N . 25851 1 496 . 1 1 129 129 ASP H H 1 7.314 0.020 . 1 . . . . 129 ASP H . 25851 1 497 . 1 1 129 129 ASP HA H 1 4.556 0.020 . 1 . . . . 129 ASP HA . 25851 1 498 . 1 1 129 129 ASP C C 13 171.856 0.3 . 1 . . . . 129 ASP C . 25851 1 499 . 1 1 129 129 ASP CA C 13 53.035 0.3 . 1 . . . . 129 ASP CA . 25851 1 500 . 1 1 129 129 ASP N N 15 119.729 0.3 . 1 . . . . 129 ASP N . 25851 1 501 . 1 1 130 130 LEU H H 1 8.894 0.020 . 1 . . . . 130 LEU H . 25851 1 502 . 1 1 130 130 LEU HA H 1 3.745 0.020 . 1 . . . . 130 LEU HA . 25851 1 503 . 1 1 130 130 LEU C C 13 174.891 0.3 . 1 . . . . 130 LEU C . 25851 1 504 . 1 1 130 130 LEU CA C 13 58.459 0.3 . 1 . . . . 130 LEU CA . 25851 1 505 . 1 1 130 130 LEU N N 15 118.029 0.3 . 1 . . . . 130 LEU N . 25851 1 506 . 1 1 131 131 SER H H 1 8.777 0.020 . 1 . . . . 131 SER H . 25851 1 507 . 1 1 131 131 SER HA H 1 4.330 0.020 . 1 . . . . 131 SER HA . 25851 1 508 . 1 1 131 131 SER C C 13 174.661 0.3 . 1 . . . . 131 SER C . 25851 1 509 . 1 1 131 131 SER CA C 13 61.868 0.3 . 1 . . . . 131 SER CA . 25851 1 510 . 1 1 131 131 SER N N 15 116.623 0.3 . 1 . . . . 131 SER N . 25851 1 511 . 1 1 132 132 THR H H 1 8.046 0.020 . 1 . . . . 132 THR H . 25851 1 512 . 1 1 132 132 THR HA H 1 3.873 0.020 . 1 . . . . 132 THR HA . 25851 1 513 . 1 1 132 132 THR C C 13 172.893 0.3 . 1 . . . . 132 THR C . 25851 1 514 . 1 1 132 132 THR CA C 13 67.478 0.3 . 1 . . . . 132 THR CA . 25851 1 515 . 1 1 132 132 THR N N 15 123.655 0.3 . 1 . . . . 132 THR N . 25851 1 516 . 1 1 133 133 ILE H H 1 7.056 0.020 . 1 . . . . 133 ILE H . 25851 1 517 . 1 1 133 133 ILE HA H 1 3.812 0.020 . 1 . . . . 133 ILE HA . 25851 1 518 . 1 1 133 133 ILE C C 13 174.247 0.3 . 1 . . . . 133 ILE C . 25851 1 519 . 1 1 133 133 ILE CA C 13 65.732 0.3 . 1 . . . . 133 ILE CA . 25851 1 520 . 1 1 133 133 ILE N N 15 123.772 0.3 . 1 . . . . 133 ILE N . 25851 1 521 . 1 1 134 134 LYS H H 1 8.363 0.020 . 1 . . . . 134 LYS H . 25851 1 522 . 1 1 134 134 LYS HA H 1 3.696 0.020 . 1 . . . . 134 LYS HA . 25851 1 523 . 1 1 134 134 LYS C C 13 175.786 0.3 . 1 . . . . 134 LYS C . 25851 1 524 . 1 1 134 134 LYS CA C 13 60.716 0.3 . 1 . . . . 134 LYS CA . 25851 1 525 . 1 1 134 134 LYS N N 15 118.757 0.3 . 1 . . . . 134 LYS N . 25851 1 526 . 1 1 135 135 LYS H H 1 7.987 0.020 . 1 . . . . 135 LYS H . 25851 1 527 . 1 1 135 135 LYS HA H 1 4.032 0.020 . 1 . . . . 135 LYS HA . 25851 1 528 . 1 1 135 135 LYS C C 13 175.644 0.3 . 1 . . . . 135 LYS C . 25851 1 529 . 1 1 135 135 LYS CA C 13 59.460 0.3 . 1 . . . . 135 LYS CA . 25851 1 530 . 1 1 135 135 LYS N N 15 118.967 0.3 . 1 . . . . 135 LYS N . 25851 1 531 . 1 1 136 136 ARG H H 1 8.347 0.020 . 1 . . . . 136 ARG H . 25851 1 532 . 1 1 136 136 ARG HA H 1 3.830 0.020 . 1 . . . . 136 ARG HA . 25851 1 533 . 1 1 136 136 ARG C C 13 175.840 0.3 . 1 . . . . 136 ARG C . 25851 1 534 . 1 1 136 136 ARG CA C 13 59.556 0.3 . 1 . . . . 136 ARG CA . 25851 1 535 . 1 1 136 136 ARG N N 15 120.022 0.3 . 1 . . . . 136 ARG N . 25851 1 536 . 1 1 137 137 LEU H H 1 8.285 0.020 . 1 . . . . 137 LEU H . 25851 1 537 . 1 1 137 137 LEU HA H 1 4.287 0.020 . 1 . . . . 137 LEU HA . 25851 1 538 . 1 1 137 137 LEU C C 13 175.371 0.3 . 1 . . . . 137 LEU C . 25851 1 539 . 1 1 137 137 LEU CA C 13 56.926 0.3 . 1 . . . . 137 LEU CA . 25851 1 540 . 1 1 137 137 LEU N N 15 118.407 0.3 . 1 . . . . 137 LEU N . 25851 1 541 . 1 1 138 138 GLN H H 1 7.634 0.020 . 1 . . . . 138 GLN H . 25851 1 542 . 1 1 138 138 GLN CA C 13 57.107 0.3 . 1 . . . . 138 GLN CA . 25851 1 543 . 1 1 138 138 GLN N N 15 116.637 0.3 . 1 . . . . 138 GLN N . 25851 1 544 . 1 1 139 139 GLU HA H 1 4.342 0.020 . 1 . . . . 139 GLU HA . 25851 1 545 . 1 1 139 139 GLU C C 13 170.972 0.3 . 1 . . . . 139 GLU C . 25851 1 546 . 1 1 139 139 GLU CA C 13 54.430 0.3 . 1 . . . . 139 GLU CA . 25851 1 547 . 1 1 140 140 ASP H H 1 8.608 0.020 . 1 . . . . 140 ASP H . 25851 1 548 . 1 1 140 140 ASP HA H 1 4.440 0.020 . 1 . . . . 140 ASP HA . 25851 1 549 . 1 1 140 140 ASP C C 13 173.199 0.3 . 1 . . . . 140 ASP C . 25851 1 550 . 1 1 140 140 ASP CA C 13 55.284 0.3 . 1 . . . . 140 ASP CA . 25851 1 551 . 1 1 140 140 ASP N N 15 119.220 0.3 . 1 . . . . 140 ASP N . 25851 1 552 . 1 1 141 141 TYR H H 1 7.868 0.020 . 1 . . . . 141 TYR H . 25851 1 553 . 1 1 141 141 TYR HA H 1 5.268 0.020 . 1 . . . . 141 TYR HA . 25851 1 554 . 1 1 141 141 TYR C C 13 171.539 0.3 . 1 . . . . 141 TYR C . 25851 1 555 . 1 1 141 141 TYR CA C 13 54.554 0.3 . 1 . . . . 141 TYR CA . 25851 1 556 . 1 1 141 141 TYR N N 15 119.482 0.3 . 1 . . . . 141 TYR N . 25851 1 557 . 1 1 142 142 SER H H 1 9.903 0.020 . 1 . . . . 142 SER H . 25851 1 558 . 1 1 142 142 SER HA H 1 4.604 0.020 . 1 . . . . 142 SER HA . 25851 1 559 . 1 1 142 142 SER C C 13 169.421 0.3 . 1 . . . . 142 SER C . 25851 1 560 . 1 1 142 142 SER CA C 13 59.083 0.3 . 1 . . . . 142 SER CA . 25851 1 561 . 1 1 142 142 SER N N 15 118.641 0.3 . 1 . . . . 142 SER N . 25851 1 562 . 1 1 143 143 MET H H 1 8.108 0.020 . 1 . . . . 143 MET H . 25851 1 563 . 1 1 143 143 MET HA H 1 4.537 0.020 . 1 . . . . 143 MET HA . 25851 1 564 . 1 1 143 143 MET C C 13 171.681 0.3 . 1 . . . . 143 MET C . 25851 1 565 . 1 1 143 143 MET CA C 13 53.893 0.3 . 1 . . . . 143 MET CA . 25851 1 566 . 1 1 143 143 MET N N 15 119.318 0.3 . 1 . . . . 143 MET N . 25851 1 567 . 1 1 144 144 TYR H H 1 7.867 0.020 . 1 . . . . 144 TYR H . 25851 1 568 . 1 1 144 144 TYR C C 13 171.703 0.3 . 1 . . . . 144 TYR C . 25851 1 569 . 1 1 144 144 TYR CA C 13 52.174 0.3 . 1 . . . . 144 TYR CA . 25851 1 570 . 1 1 144 144 TYR N N 15 119.635 0.3 . 1 . . . . 144 TYR N . 25851 1 571 . 1 1 145 145 SER H H 1 8.352 0.020 . 1 . . . . 145 SER H . 25851 1 572 . 1 1 145 145 SER CA C 13 57.181 0.3 . 1 . . . . 145 SER CA . 25851 1 573 . 1 1 145 145 SER N N 15 123.675 0.3 . 1 . . . . 145 SER N . 25851 1 574 . 1 1 147 147 PRO HA H 1 3.166 0.020 . 1 . . . . 147 PRO HA . 25851 1 575 . 1 1 147 147 PRO C C 13 172.926 0.3 . 1 . . . . 147 PRO C . 25851 1 576 . 1 1 147 147 PRO CA C 13 64.507 0.3 . 1 . . . . 147 PRO CA . 25851 1 577 . 1 1 148 148 GLU H H 1 10.451 0.020 . 1 . . . . 148 GLU H . 25851 1 578 . 1 1 148 148 GLU HA H 1 3.575 0.020 . 1 . . . . 148 GLU HA . 25851 1 579 . 1 1 148 148 GLU C C 13 175.273 0.3 . 1 . . . . 148 GLU C . 25851 1 580 . 1 1 148 148 GLU CA C 13 61.046 0.3 . 1 . . . . 148 GLU CA . 25851 1 581 . 1 1 148 148 GLU N N 15 117.443 0.3 . 1 . . . . 148 GLU N . 25851 1 582 . 1 1 149 149 ASP H H 1 7.682 0.020 . 1 . . . . 149 ASP H . 25851 1 583 . 1 1 149 149 ASP HA H 1 4.452 0.020 . 1 . . . . 149 ASP HA . 25851 1 584 . 1 1 149 149 ASP C C 13 175.087 0.3 . 1 . . . . 149 ASP C . 25851 1 585 . 1 1 149 149 ASP CA C 13 57.223 0.3 . 1 . . . . 149 ASP CA . 25851 1 586 . 1 1 149 149 ASP N N 15 117.209 0.3 . 1 . . . . 149 ASP N . 25851 1 587 . 1 1 150 150 PHE H H 1 6.489 0.020 . 1 . . . . 150 PHE H . 25851 1 588 . 1 1 150 150 PHE HA H 1 4.300 0.020 . 1 . . . . 150 PHE HA . 25851 1 589 . 1 1 150 150 PHE C C 13 175.153 0.3 . 1 . . . . 150 PHE C . 25851 1 590 . 1 1 150 150 PHE CA C 13 58.369 0.3 . 1 . . . . 150 PHE CA . 25851 1 591 . 1 1 150 150 PHE N N 15 114.279 0.3 . 1 . . . . 150 PHE N . 25851 1 592 . 1 1 151 151 VAL H H 1 8.046 0.020 . 1 . . . . 151 VAL H . 25851 1 593 . 1 1 151 151 VAL HA H 1 3.739 0.020 . 1 . . . . 151 VAL HA . 25851 1 594 . 1 1 151 151 VAL C C 13 173.985 0.3 . 1 . . . . 151 VAL C . 25851 1 595 . 1 1 151 151 VAL CA C 13 68.566 0.3 . 1 . . . . 151 VAL CA . 25851 1 596 . 1 1 151 151 VAL N N 15 126.350 0.3 . 1 . . . . 151 VAL N . 25851 1 597 . 1 1 152 152 ALA H H 1 7.526 0.020 . 1 . . . . 152 ALA H . 25851 1 598 . 1 1 152 152 ALA HA H 1 4.104 0.020 . 1 . . . . 152 ALA HA . 25851 1 599 . 1 1 152 152 ALA C C 13 177.249 0.3 . 1 . . . . 152 ALA C . 25851 1 600 . 1 1 152 152 ALA CA C 13 55.298 0.3 . 1 . . . . 152 ALA CA . 25851 1 601 . 1 1 152 152 ALA N N 15 119.201 0.3 . 1 . . . . 152 ALA N . 25851 1 602 . 1 1 153 153 ASP H H 1 6.825 0.020 . 1 . . . . 153 ASP H . 25851 1 603 . 1 1 153 153 ASP HA H 1 4.574 0.020 . 1 . . . . 153 ASP HA . 25851 1 604 . 1 1 153 153 ASP C C 13 175.011 0.3 . 1 . . . . 153 ASP C . 25851 1 605 . 1 1 153 153 ASP CA C 13 57.799 0.3 . 1 . . . . 153 ASP CA . 25851 1 606 . 1 1 153 153 ASP N N 15 119.084 0.3 . 1 . . . . 153 ASP N . 25851 1 607 . 1 1 154 154 PHE H H 1 7.936 0.020 . 1 . . . . 154 PHE H . 25851 1 608 . 1 1 154 154 PHE HA H 1 3.447 0.020 . 1 . . . . 154 PHE HA . 25851 1 609 . 1 1 154 154 PHE C C 13 174.760 0.3 . 1 . . . . 154 PHE C . 25851 1 610 . 1 1 154 154 PHE CA C 13 62.441 0.3 . 1 . . . . 154 PHE CA . 25851 1 611 . 1 1 154 154 PHE N N 15 117.971 0.3 . 1 . . . . 154 PHE N . 25851 1 612 . 1 1 155 155 ARG H H 1 8.171 0.020 . 1 . . . . 155 ARG H . 25851 1 613 . 1 1 155 155 ARG HA H 1 3.946 0.020 . 1 . . . . 155 ARG HA . 25851 1 614 . 1 1 155 155 ARG C C 13 175.862 0.3 . 1 . . . . 155 ARG C . 25851 1 615 . 1 1 155 155 ARG CA C 13 60.117 0.3 . 1 . . . . 155 ARG CA . 25851 1 616 . 1 1 155 155 ARG N N 15 113.634 0.3 . 1 . . . . 155 ARG N . 25851 1 617 . 1 1 156 156 LEU H H 1 7.631 0.020 . 1 . . . . 156 LEU H . 25851 1 618 . 1 1 156 156 LEU HA H 1 4.062 0.020 . 1 . . . . 156 LEU HA . 25851 1 619 . 1 1 156 156 LEU C C 13 175.480 0.3 . 1 . . . . 156 LEU C . 25851 1 620 . 1 1 156 156 LEU CA C 13 57.584 0.3 . 1 . . . . 156 LEU CA . 25851 1 621 . 1 1 156 156 LEU N N 15 121.252 0.3 . 1 . . . . 156 LEU N . 25851 1 622 . 1 1 157 157 ILE H H 1 7.005 0.020 . 1 . . . . 157 ILE H . 25851 1 623 . 1 1 157 157 ILE HA H 1 3.178 0.020 . 1 . . . . 157 ILE HA . 25851 1 624 . 1 1 157 157 ILE C C 13 176.212 0.3 . 1 . . . . 157 ILE C . 25851 1 625 . 1 1 157 157 ILE CA C 13 66.242 0.3 . 1 . . . . 157 ILE CA . 25851 1 626 . 1 1 157 157 ILE N N 15 116.740 0.3 . 1 . . . . 157 ILE N . 25851 1 627 . 1 1 158 158 PHE H H 1 6.294 0.020 . 1 . . . . 158 PHE H . 25851 1 628 . 1 1 158 158 PHE HA H 1 4.178 0.020 . 1 . . . . 158 PHE HA . 25851 1 629 . 1 1 158 158 PHE C C 13 175.939 0.3 . 1 . . . . 158 PHE C . 25851 1 630 . 1 1 158 158 PHE CA C 13 59.012 0.3 . 1 . . . . 158 PHE CA . 25851 1 631 . 1 1 158 158 PHE N N 15 119.084 0.3 . 1 . . . . 158 PHE N . 25851 1 632 . 1 1 159 159 GLN H H 1 8.679 0.020 . 1 . . . . 159 GLN H . 25851 1 633 . 1 1 159 159 GLN HA H 1 4.135 0.020 . 1 . . . . 159 GLN HA . 25851 1 634 . 1 1 159 159 GLN C C 13 175.982 0.3 . 1 . . . . 159 GLN C . 25851 1 635 . 1 1 159 159 GLN CA C 13 59.094 0.3 . 1 . . . . 159 GLN CA . 25851 1 636 . 1 1 159 159 GLN N N 15 122.952 0.3 . 1 . . . . 159 GLN N . 25851 1 637 . 1 1 160 160 ASN H H 1 8.910 0.020 . 1 . . . . 160 ASN H . 25851 1 638 . 1 1 160 160 ASN HA H 1 4.385 0.020 . 1 . . . . 160 ASN HA . 25851 1 639 . 1 1 160 160 ASN C C 13 173.832 0.3 . 1 . . . . 160 ASN C . 25851 1 640 . 1 1 160 160 ASN CA C 13 55.344 0.3 . 1 . . . . 160 ASN CA . 25851 1 641 . 1 1 160 160 ASN N N 15 119.084 0.3 . 1 . . . . 160 ASN N . 25851 1 642 . 1 1 161 161 CYS H H 1 7.600 0.020 . 1 . . . . 161 CYS H . 25851 1 643 . 1 1 161 161 CYS HA H 1 4.330 0.020 . 1 . . . . 161 CYS HA . 25851 1 644 . 1 1 161 161 CYS C C 13 173.788 0.3 . 1 . . . . 161 CYS C . 25851 1 645 . 1 1 161 161 CYS CA C 13 62.250 0.3 . 1 . . . . 161 CYS CA . 25851 1 646 . 1 1 161 161 CYS N N 15 118.791 0.3 . 1 . . . . 161 CYS N . 25851 1 647 . 1 1 162 162 ALA H H 1 7.737 0.020 . 1 . . . . 162 ALA H . 25851 1 648 . 1 1 162 162 ALA HA H 1 4.342 0.020 . 1 . . . . 162 ALA HA . 25851 1 649 . 1 1 162 162 ALA C C 13 176.233 0.3 . 1 . . . . 162 ALA C . 25851 1 650 . 1 1 162 162 ALA CA C 13 53.895 0.3 . 1 . . . . 162 ALA CA . 25851 1 651 . 1 1 162 162 ALA N N 15 119.904 0.3 . 1 . . . . 162 ALA N . 25851 1 652 . 1 1 163 163 GLU H H 1 8.053 0.020 . 1 . . . . 163 GLU H . 25851 1 653 . 1 1 163 163 GLU HA H 1 4.129 0.020 . 1 . . . . 163 GLU HA . 25851 1 654 . 1 1 163 163 GLU C C 13 175.164 0.3 . 1 . . . . 163 GLU C . 25851 1 655 . 1 1 163 163 GLU CA C 13 58.483 0.3 . 1 . . . . 163 GLU CA . 25851 1 656 . 1 1 163 163 GLU N N 15 117.268 0.3 . 1 . . . . 163 GLU N . 25851 1 657 . 1 1 164 164 PHE H H 1 8.229 0.020 . 1 . . . . 164 PHE H . 25851 1 658 . 1 1 164 164 PHE HA H 1 4.287 0.020 . 1 . . . . 164 PHE HA . 25851 1 659 . 1 1 164 164 PHE C C 13 172.511 0.3 . 1 . . . . 164 PHE C . 25851 1 660 . 1 1 164 164 PHE CA C 13 61.015 0.3 . 1 . . . . 164 PHE CA . 25851 1 661 . 1 1 164 164 PHE N N 15 115.510 0.3 . 1 . . . . 164 PHE N . 25851 1 662 . 1 1 165 165 ASN H H 1 7.795 0.020 . 1 . . . . 165 ASN H . 25851 1 663 . 1 1 165 165 ASN HA H 1 4.507 0.020 . 1 . . . . 165 ASN HA . 25851 1 664 . 1 1 165 165 ASN C C 13 171.769 0.3 . 1 . . . . 165 ASN C . 25851 1 665 . 1 1 165 165 ASN CA C 13 53.766 0.3 . 1 . . . . 165 ASN CA . 25851 1 666 . 1 1 165 165 ASN N N 15 113.341 0.3 . 1 . . . . 165 ASN N . 25851 1 667 . 1 1 166 166 GLU H H 1 9.022 0.020 . 1 . . . . 166 GLU H . 25851 1 668 . 1 1 166 166 GLU CA C 13 55.047 0.3 . 1 . . . . 166 GLU CA . 25851 1 669 . 1 1 166 166 GLU N N 15 123.041 0.3 . 1 . . . . 166 GLU N . 25851 1 670 . 1 1 170 170 GLU HA H 1 4.147 0.020 . 1 . . . . 170 GLU HA . 25851 1 671 . 1 1 170 170 GLU C C 13 177.227 0.3 . 1 . . . . 170 GLU C . 25851 1 672 . 1 1 170 170 GLU CA C 13 60.197 0.3 . 1 . . . . 170 GLU CA . 25851 1 673 . 1 1 171 171 VAL H H 1 8.492 0.020 . 1 . . . . 171 VAL H . 25851 1 674 . 1 1 171 171 VAL HA H 1 3.971 0.020 . 1 . . . . 171 VAL HA . 25851 1 675 . 1 1 171 171 VAL C C 13 174.443 0.3 . 1 . . . . 171 VAL C . 25851 1 676 . 1 1 171 171 VAL CA C 13 66.027 0.3 . 1 . . . . 171 VAL CA . 25851 1 677 . 1 1 171 171 VAL N N 15 119.025 0.3 . 1 . . . . 171 VAL N . 25851 1 678 . 1 1 172 172 ALA H H 1 7.416 0.020 . 1 . . . . 172 ALA H . 25851 1 679 . 1 1 172 172 ALA HA H 1 4.056 0.020 . 1 . . . . 172 ALA HA . 25851 1 680 . 1 1 172 172 ALA C C 13 178.395 0.3 . 1 . . . . 172 ALA C . 25851 1 681 . 1 1 172 172 ALA CA C 13 55.377 0.3 . 1 . . . . 172 ALA CA . 25851 1 682 . 1 1 172 172 ALA N N 15 121.662 0.3 . 1 . . . . 172 ALA N . 25851 1 683 . 1 1 173 173 ASN H H 1 8.263 0.020 . 1 . . . . 173 ASN H . 25851 1 684 . 1 1 173 173 ASN HA H 1 4.507 0.020 . 1 . . . . 173 ASN HA . 25851 1 685 . 1 1 173 173 ASN C C 13 174.618 0.3 . 1 . . . . 173 ASN C . 25851 1 686 . 1 1 173 173 ASN CA C 13 56.396 0.3 . 1 . . . . 173 ASN CA . 25851 1 687 . 1 1 173 173 ASN N N 15 116.529 0.3 . 1 . . . . 173 ASN N . 25851 1 688 . 1 1 174 174 ALA H H 1 8.265 0.020 . 1 . . . . 174 ALA H . 25851 1 689 . 1 1 174 174 ALA HA H 1 4.373 0.020 . 1 . . . . 174 ALA HA . 25851 1 690 . 1 1 174 174 ALA C C 13 176.659 0.3 . 1 . . . . 174 ALA C . 25851 1 691 . 1 1 174 174 ALA CA C 13 55.840 0.3 . 1 . . . . 174 ALA CA . 25851 1 692 . 1 1 174 174 ALA N N 15 124.417 0.3 . 1 . . . . 174 ALA N . 25851 1 693 . 1 1 175 175 GLY H H 1 8.656 0.020 . 1 . . . . 175 GLY H . 25851 1 694 . 1 1 175 175 GLY HA2 H 1 3.556 0.020 . 2 . . . . 175 GLY HA2 . 25851 1 695 . 1 1 175 175 GLY HA3 H 1 4.330 0.020 . 2 . . . . 175 GLY HA3 . 25851 1 696 . 1 1 175 175 GLY C C 13 172.336 0.3 . 1 . . . . 175 GLY C . 25851 1 697 . 1 1 175 175 GLY CA C 13 48.310 0.3 . 1 . . . . 175 GLY CA . 25851 1 698 . 1 1 175 175 GLY N N 15 105.079 0.3 . 1 . . . . 175 GLY N . 25851 1 699 . 1 1 176 176 ILE H H 1 7.658 0.020 . 1 . . . . 176 ILE H . 25851 1 700 . 1 1 176 176 ILE HA H 1 3.855 0.020 . 1 . . . . 176 ILE HA . 25851 1 701 . 1 1 176 176 ILE C C 13 176.092 0.3 . 1 . . . . 176 ILE C . 25851 1 702 . 1 1 176 176 ILE CA C 13 64.285 0.3 . 1 . . . . 176 ILE CA . 25851 1 703 . 1 1 176 176 ILE N N 15 120.549 0.3 . 1 . . . . 176 ILE N . 25851 1 704 . 1 1 177 177 LYS H H 1 7.878 0.020 . 1 . . . . 177 LYS H . 25851 1 705 . 1 1 177 177 LYS HA H 1 4.680 0.020 . 1 . . . . 177 LYS HA . 25851 1 706 . 1 1 177 177 LYS C C 13 177.260 0.3 . 1 . . . . 177 LYS C . 25851 1 707 . 1 1 177 177 LYS CA C 13 59.427 0.3 . 1 . . . . 177 LYS CA . 25851 1 708 . 1 1 177 177 LYS N N 15 119.553 0.3 . 1 . . . . 177 LYS N . 25851 1 709 . 1 1 178 178 LEU H H 1 8.761 0.020 . 1 . . . . 178 LEU H . 25851 1 710 . 1 1 178 178 LEU HA H 1 3.709 0.020 . 1 . . . . 178 LEU HA . 25851 1 711 . 1 1 178 178 LEU C C 13 174.410 0.3 . 1 . . . . 178 LEU C . 25851 1 712 . 1 1 178 178 LEU CA C 13 57.111 0.3 . 1 . . . . 178 LEU CA . 25851 1 713 . 1 1 178 178 LEU N N 15 122.131 0.3 . 1 . . . . 178 LEU N . 25851 1 714 . 1 1 179 179 GLU H H 1 8.355 0.020 . 1 . . . . 179 GLU H . 25851 1 715 . 1 1 179 179 GLU HA H 1 2.488 0.020 . 1 . . . . 179 GLU HA . 25851 1 716 . 1 1 179 179 GLU C C 13 175.022 0.3 . 1 . . . . 179 GLU C . 25851 1 717 . 1 1 179 179 GLU CA C 13 59.195 0.3 . 1 . . . . 179 GLU CA . 25851 1 718 . 1 1 179 179 GLU N N 15 122.248 0.3 . 1 . . . . 179 GLU N . 25851 1 719 . 1 1 180 180 ASN H H 1 7.846 0.020 . 1 . . . . 180 ASN H . 25851 1 720 . 1 1 180 180 ASN HA H 1 4.257 0.020 . 1 . . . . 180 ASN HA . 25851 1 721 . 1 1 180 180 ASN C C 13 174.705 0.3 . 1 . . . . 180 ASN C . 25851 1 722 . 1 1 180 180 ASN CA C 13 56.556 0.3 . 1 . . . . 180 ASN CA . 25851 1 723 . 1 1 180 180 ASN N N 15 116.447 0.3 . 1 . . . . 180 ASN N . 25851 1 724 . 1 1 181 181 TYR H H 1 7.607 0.020 . 1 . . . . 181 TYR H . 25851 1 725 . 1 1 181 181 TYR HA H 1 4.391 0.020 . 1 . . . . 181 TYR HA . 25851 1 726 . 1 1 181 181 TYR C C 13 173.635 0.3 . 1 . . . . 181 TYR C . 25851 1 727 . 1 1 181 181 TYR CA C 13 60.300 0.3 . 1 . . . . 181 TYR CA . 25851 1 728 . 1 1 181 181 TYR N N 15 120.846 0.3 . 1 . . . . 181 TYR N . 25851 1 729 . 1 1 182 182 PHE H H 1 8.894 0.020 . 1 . . . . 182 PHE H . 25851 1 730 . 1 1 182 182 PHE HA H 1 3.727 0.020 . 1 . . . . 182 PHE HA . 25851 1 731 . 1 1 182 182 PHE C C 13 172.948 0.3 . 1 . . . . 182 PHE C . 25851 1 732 . 1 1 182 182 PHE CA C 13 61.864 0.3 . 1 . . . . 182 PHE CA . 25851 1 733 . 1 1 182 182 PHE N N 15 119.260 0.3 . 1 . . . . 182 PHE N . 25851 1 734 . 1 1 183 183 GLU H H 1 8.566 0.020 . 1 . . . . 183 GLU H . 25851 1 735 . 1 1 183 183 GLU HA H 1 3.581 0.020 . 1 . . . . 183 GLU HA . 25851 1 736 . 1 1 183 183 GLU C C 13 177.412 0.3 . 1 . . . . 183 GLU C . 25851 1 737 . 1 1 183 183 GLU CA C 13 58.849 0.3 . 1 . . . . 183 GLU CA . 25851 1 738 . 1 1 183 183 GLU N N 15 116.389 0.3 . 1 . . . . 183 GLU N . 25851 1 739 . 1 1 184 184 GLU H H 1 7.561 0.020 . 1 . . . . 184 GLU H . 25851 1 740 . 1 1 184 184 GLU HA H 1 3.922 0.020 . 1 . . . . 184 GLU HA . 25851 1 741 . 1 1 184 184 GLU C C 13 176.102 0.3 . 1 . . . . 184 GLU C . 25851 1 742 . 1 1 184 184 GLU CA C 13 59.318 0.3 . 1 . . . . 184 GLU CA . 25851 1 743 . 1 1 184 184 GLU N N 15 120.666 0.3 . 1 . . . . 184 GLU N . 25851 1 744 . 1 1 185 185 LEU H H 1 7.807 0.020 . 1 . . . . 185 LEU H . 25851 1 745 . 1 1 185 185 LEU HA H 1 3.635 0.020 . 1 . . . . 185 LEU HA . 25851 1 746 . 1 1 185 185 LEU C C 13 177.085 0.3 . 1 . . . . 185 LEU C . 25851 1 747 . 1 1 185 185 LEU CA C 13 57.378 0.3 . 1 . . . . 185 LEU CA . 25851 1 748 . 1 1 185 185 LEU N N 15 121.018 0.3 . 1 . . . . 185 LEU N . 25851 1 749 . 1 1 186 186 LEU H H 1 8.269 0.020 . 1 . . . . 186 LEU H . 25851 1 750 . 1 1 186 186 LEU HA H 1 3.727 0.020 . 1 . . . . 186 LEU HA . 25851 1 751 . 1 1 186 186 LEU C C 13 176.495 0.3 . 1 . . . . 186 LEU C . 25851 1 752 . 1 1 186 186 LEU CA C 13 58.132 0.3 . 1 . . . . 186 LEU CA . 25851 1 753 . 1 1 186 186 LEU N N 15 119.673 0.3 . 1 . . . . 186 LEU N . 25851 1 754 . 1 1 187 187 LYS H H 1 7.154 0.020 . 1 . . . . 187 LYS H . 25851 1 755 . 1 1 187 187 LYS HA H 1 4.007 0.020 . 1 . . . . 187 LYS HA . 25851 1 756 . 1 1 187 187 LYS C C 13 174.585 0.3 . 1 . . . . 187 LYS C . 25851 1 757 . 1 1 187 187 LYS CA C 13 58.626 0.3 . 1 . . . . 187 LYS CA . 25851 1 758 . 1 1 187 187 LYS N N 15 116.857 0.3 . 1 . . . . 187 LYS N . 25851 1 759 . 1 1 188 188 ASN H H 1 7.263 0.020 . 1 . . . . 188 ASN H . 25851 1 760 . 1 1 188 188 ASN HA H 1 4.452 0.020 . 1 . . . . 188 ASN HA . 25851 1 761 . 1 1 188 188 ASN C C 13 174.094 0.3 . 1 . . . . 188 ASN C . 25851 1 762 . 1 1 188 188 ASN CA C 13 55.396 0.3 . 1 . . . . 188 ASN CA . 25851 1 763 . 1 1 188 188 ASN N N 15 115.392 0.3 . 1 . . . . 188 ASN N . 25851 1 764 . 1 1 189 189 LEU H H 1 8.128 0.020 . 1 . . . . 189 LEU H . 25851 1 765 . 1 1 189 189 LEU HA H 1 4.111 0.020 . 1 . . . . 189 LEU HA . 25851 1 766 . 1 1 189 189 LEU C C 13 173.231 0.3 . 1 . . . . 189 LEU C . 25851 1 767 . 1 1 189 189 LEU CA C 13 56.579 0.3 . 1 . . . . 189 LEU CA . 25851 1 768 . 1 1 189 189 LEU N N 15 118.557 0.3 . 1 . . . . 189 LEU N . 25851 1 769 . 1 1 190 190 TYR H H 1 7.983 0.020 . 1 . . . . 190 TYR H . 25851 1 770 . 1 1 190 190 TYR HA H 1 5.016 0.020 . 1 . . . . 190 TYR HA . 25851 1 771 . 1 1 190 190 TYR CA C 13 56.638 0.3 . 1 . . . . 190 TYR CA . 25851 1 772 . 1 1 190 190 TYR N N 15 117.619 0.3 . 1 . . . . 190 TYR N . 25851 1 773 . 1 1 191 191 PRO HA H 1 4.562 0.020 . 1 . . . . 191 PRO HA . 25851 1 774 . 1 1 191 191 PRO C C 13 175.557 0.3 . 1 . . . . 191 PRO C . 25851 1 775 . 1 1 191 191 PRO CA C 13 64.813 0.3 . 1 . . . . 191 PRO CA . 25851 1 776 . 1 1 192 192 GLU H H 1 9.015 0.020 . 1 . . . . 192 GLU H . 25851 1 777 . 1 1 192 192 GLU HA H 1 4.342 0.020 . 1 . . . . 192 GLU HA . 25851 1 778 . 1 1 192 192 GLU C C 13 172.664 0.3 . 1 . . . . 192 GLU C . 25851 1 779 . 1 1 192 192 GLU CA C 13 56.288 0.3 . 1 . . . . 192 GLU CA . 25851 1 780 . 1 1 192 192 GLU N N 15 116.603 0.3 . 1 . . . . 192 GLU N . 25851 1 781 . 1 1 193 193 LYS H H 1 7.428 0.020 . 1 . . . . 193 LYS H . 25851 1 782 . 1 1 193 193 LYS HA H 1 4.373 0.020 . 1 . . . . 193 LYS HA . 25851 1 783 . 1 1 193 193 LYS C C 13 171.299 0.3 . 1 . . . . 193 LYS C . 25851 1 784 . 1 1 193 193 LYS CA C 13 55.190 0.3 . 1 . . . . 193 LYS CA . 25851 1 785 . 1 1 193 193 LYS N N 15 121.018 0.3 . 1 . . . . 193 LYS N . 25851 1 786 . 1 1 194 194 ARG H H 1 8.090 0.020 . 1 . . . . 194 ARG H . 25851 1 787 . 1 1 194 194 ARG HA H 1 4.422 0.020 . 1 . . . . 194 ARG HA . 25851 1 788 . 1 1 194 194 ARG C C 13 172.151 0.3 . 1 . . . . 194 ARG C . 25851 1 789 . 1 1 194 194 ARG CA C 13 54.312 0.3 . 1 . . . . 194 ARG CA . 25851 1 790 . 1 1 194 194 ARG N N 15 122.953 0.3 . 1 . . . . 194 ARG N . 25851 1 791 . 1 1 195 195 PHE H H 1 8.992 0.020 . 1 . . . . 195 PHE H . 25851 1 792 . 1 1 195 195 PHE CA C 13 55.826 0.3 . 1 . . . . 195 PHE CA . 25851 1 793 . 1 1 195 195 PHE N N 15 122.952 0.3 . 1 . . . . 195 PHE N . 25851 1 stop_ save_