data_25628 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25628 _Entry.Title ; Backbone 1H, 13C and 15N Chemical Shift Assignments for G56C_T163C mutant of Adenylate Kinase at oxidized condition ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-18 _Entry.Accession_date 2015-05-19 _Entry.Last_release_date 2015-05-19 _Entry.Original_release_date 2015-05-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 Michael Kovermann . . . . 25628 2 Magnus Wolf-Watz . . . . 25628 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25628 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 334 25628 '15N chemical shifts' 154 25628 '1H chemical shifts' 154 25628 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-12-14 2015-05-18 update BMRB 'update entry citation' 25628 1 . . 2017-05-19 2015-05-18 original author 'original release' 25628 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25629 ; Backbone 1H, 13C and 15N Chemical Shift Assignments for G56C_T163C mutant of Adenylate Kinase at reduced condition ; 25628 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25628 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1073/pnas.1700919114 _Citation.PubMed_ID 28559350 _Citation.Full_citation . _Citation.Title ; Structural basis for ligand binding to an enzyme by a conformational selection pathway ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 114 _Citation.Journal_issue 24 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 6298 _Citation.Page_last 6303 _Citation.Year 2017 _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 Michael Kovermann M. . . . 25628 1 2 Christin Grundstrom C. . . . 25628 1 3 'A Elisabeth' Sauer-Eriksson A. E. . . 25628 1 4 Uwe Sauer U. H. . . 25628 1 5 Magnus Wolf-Watz M. . . . 25628 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25628 _Assembly.ID 1 _Assembly.Name Kinase _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 23300 _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 'Adenylate Kinase G56C_T163C' 1 $Adenylate_Kinase_G56C_T163C A . yes native no no . . . 25628 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_asym_ID_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_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 Kinase 1 CYS 56 56 SG . 1 Kinase 1 CYS 163 163 SG . . . 56 CYS . . . . 163 CYS . 25628 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Energy balance in the cell' 25628 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Adenylate_Kinase_G56C_T163C _Entity.Sf_category entity _Entity.Sf_framecode Adenylate_Kinase_G56C_T163C _Entity.Entry_ID 25628 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Adenylate_Kinase_G56C_T163C _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 ; MRIILLGAPGAGKGTQAQFI MEKYGIPQISTGDMLRAAVK SGSELGKQAKDIMDACKLVT DELVIALVKERIAQEDCRNG FLLDGFPRTIPQADAMKEAG INVDYVLEFDVPDELIVDRI VGRRVHAPSGRVYHVKFNPP KVEGKDDVTGEELTTRKDDQ EECVRKRLVEYHQMTAPLIG YYSKEAEAGNTKYAKVDGTK PVAEVRADLEKILG ; _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 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'disulfide bound and free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25628 1 2 2 ARG . 25628 1 3 3 ILE . 25628 1 4 4 ILE . 25628 1 5 5 LEU . 25628 1 6 6 LEU . 25628 1 7 7 GLY . 25628 1 8 8 ALA . 25628 1 9 9 PRO . 25628 1 10 10 GLY . 25628 1 11 11 ALA . 25628 1 12 12 GLY . 25628 1 13 13 LYS . 25628 1 14 14 GLY . 25628 1 15 15 THR . 25628 1 16 16 GLN . 25628 1 17 17 ALA . 25628 1 18 18 GLN . 25628 1 19 19 PHE . 25628 1 20 20 ILE . 25628 1 21 21 MET . 25628 1 22 22 GLU . 25628 1 23 23 LYS . 25628 1 24 24 TYR . 25628 1 25 25 GLY . 25628 1 26 26 ILE . 25628 1 27 27 PRO . 25628 1 28 28 GLN . 25628 1 29 29 ILE . 25628 1 30 30 SER . 25628 1 31 31 THR . 25628 1 32 32 GLY . 25628 1 33 33 ASP . 25628 1 34 34 MET . 25628 1 35 35 LEU . 25628 1 36 36 ARG . 25628 1 37 37 ALA . 25628 1 38 38 ALA . 25628 1 39 39 VAL . 25628 1 40 40 LYS . 25628 1 41 41 SER . 25628 1 42 42 GLY . 25628 1 43 43 SER . 25628 1 44 44 GLU . 25628 1 45 45 LEU . 25628 1 46 46 GLY . 25628 1 47 47 LYS . 25628 1 48 48 GLN . 25628 1 49 49 ALA . 25628 1 50 50 LYS . 25628 1 51 51 ASP . 25628 1 52 52 ILE . 25628 1 53 53 MET . 25628 1 54 54 ASP . 25628 1 55 55 ALA . 25628 1 56 56 CYS . 25628 1 57 57 LYS . 25628 1 58 58 LEU . 25628 1 59 59 VAL . 25628 1 60 60 THR . 25628 1 61 61 ASP . 25628 1 62 62 GLU . 25628 1 63 63 LEU . 25628 1 64 64 VAL . 25628 1 65 65 ILE . 25628 1 66 66 ALA . 25628 1 67 67 LEU . 25628 1 68 68 VAL . 25628 1 69 69 LYS . 25628 1 70 70 GLU . 25628 1 71 71 ARG . 25628 1 72 72 ILE . 25628 1 73 73 ALA . 25628 1 74 74 GLN . 25628 1 75 75 GLU . 25628 1 76 76 ASP . 25628 1 77 77 CYS . 25628 1 78 78 ARG . 25628 1 79 79 ASN . 25628 1 80 80 GLY . 25628 1 81 81 PHE . 25628 1 82 82 LEU . 25628 1 83 83 LEU . 25628 1 84 84 ASP . 25628 1 85 85 GLY . 25628 1 86 86 PHE . 25628 1 87 87 PRO . 25628 1 88 88 ARG . 25628 1 89 89 THR . 25628 1 90 90 ILE . 25628 1 91 91 PRO . 25628 1 92 92 GLN . 25628 1 93 93 ALA . 25628 1 94 94 ASP . 25628 1 95 95 ALA . 25628 1 96 96 MET . 25628 1 97 97 LYS . 25628 1 98 98 GLU . 25628 1 99 99 ALA . 25628 1 100 100 GLY . 25628 1 101 101 ILE . 25628 1 102 102 ASN . 25628 1 103 103 VAL . 25628 1 104 104 ASP . 25628 1 105 105 TYR . 25628 1 106 106 VAL . 25628 1 107 107 LEU . 25628 1 108 108 GLU . 25628 1 109 109 PHE . 25628 1 110 110 ASP . 25628 1 111 111 VAL . 25628 1 112 112 PRO . 25628 1 113 113 ASP . 25628 1 114 114 GLU . 25628 1 115 115 LEU . 25628 1 116 116 ILE . 25628 1 117 117 VAL . 25628 1 118 118 ASP . 25628 1 119 119 ARG . 25628 1 120 120 ILE . 25628 1 121 121 VAL . 25628 1 122 122 GLY . 25628 1 123 123 ARG . 25628 1 124 124 ARG . 25628 1 125 125 VAL . 25628 1 126 126 HIS . 25628 1 127 127 ALA . 25628 1 128 128 PRO . 25628 1 129 129 SER . 25628 1 130 130 GLY . 25628 1 131 131 ARG . 25628 1 132 132 VAL . 25628 1 133 133 TYR . 25628 1 134 134 HIS . 25628 1 135 135 VAL . 25628 1 136 136 LYS . 25628 1 137 137 PHE . 25628 1 138 138 ASN . 25628 1 139 139 PRO . 25628 1 140 140 PRO . 25628 1 141 141 LYS . 25628 1 142 142 VAL . 25628 1 143 143 GLU . 25628 1 144 144 GLY . 25628 1 145 145 LYS . 25628 1 146 146 ASP . 25628 1 147 147 ASP . 25628 1 148 148 VAL . 25628 1 149 149 THR . 25628 1 150 150 GLY . 25628 1 151 151 GLU . 25628 1 152 152 GLU . 25628 1 153 153 LEU . 25628 1 154 154 THR . 25628 1 155 155 THR . 25628 1 156 156 ARG . 25628 1 157 157 LYS . 25628 1 158 158 ASP . 25628 1 159 159 ASP . 25628 1 160 160 GLN . 25628 1 161 161 GLU . 25628 1 162 162 GLU . 25628 1 163 163 CYS . 25628 1 164 164 VAL . 25628 1 165 165 ARG . 25628 1 166 166 LYS . 25628 1 167 167 ARG . 25628 1 168 168 LEU . 25628 1 169 169 VAL . 25628 1 170 170 GLU . 25628 1 171 171 TYR . 25628 1 172 172 HIS . 25628 1 173 173 GLN . 25628 1 174 174 MET . 25628 1 175 175 THR . 25628 1 176 176 ALA . 25628 1 177 177 PRO . 25628 1 178 178 LEU . 25628 1 179 179 ILE . 25628 1 180 180 GLY . 25628 1 181 181 TYR . 25628 1 182 182 TYR . 25628 1 183 183 SER . 25628 1 184 184 LYS . 25628 1 185 185 GLU . 25628 1 186 186 ALA . 25628 1 187 187 GLU . 25628 1 188 188 ALA . 25628 1 189 189 GLY . 25628 1 190 190 ASN . 25628 1 191 191 THR . 25628 1 192 192 LYS . 25628 1 193 193 TYR . 25628 1 194 194 ALA . 25628 1 195 195 LYS . 25628 1 196 196 VAL . 25628 1 197 197 ASP . 25628 1 198 198 GLY . 25628 1 199 199 THR . 25628 1 200 200 LYS . 25628 1 201 201 PRO . 25628 1 202 202 VAL . 25628 1 203 203 ALA . 25628 1 204 204 GLU . 25628 1 205 205 VAL . 25628 1 206 206 ARG . 25628 1 207 207 ALA . 25628 1 208 208 ASP . 25628 1 209 209 LEU . 25628 1 210 210 GLU . 25628 1 211 211 LYS . 25628 1 212 212 ILE . 25628 1 213 213 LEU . 25628 1 214 214 GLY . 25628 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25628 1 . ARG 2 2 25628 1 . ILE 3 3 25628 1 . ILE 4 4 25628 1 . LEU 5 5 25628 1 . LEU 6 6 25628 1 . GLY 7 7 25628 1 . ALA 8 8 25628 1 . PRO 9 9 25628 1 . GLY 10 10 25628 1 . ALA 11 11 25628 1 . GLY 12 12 25628 1 . LYS 13 13 25628 1 . GLY 14 14 25628 1 . THR 15 15 25628 1 . GLN 16 16 25628 1 . ALA 17 17 25628 1 . GLN 18 18 25628 1 . PHE 19 19 25628 1 . ILE 20 20 25628 1 . MET 21 21 25628 1 . GLU 22 22 25628 1 . LYS 23 23 25628 1 . TYR 24 24 25628 1 . GLY 25 25 25628 1 . ILE 26 26 25628 1 . PRO 27 27 25628 1 . GLN 28 28 25628 1 . ILE 29 29 25628 1 . SER 30 30 25628 1 . THR 31 31 25628 1 . GLY 32 32 25628 1 . ASP 33 33 25628 1 . MET 34 34 25628 1 . LEU 35 35 25628 1 . ARG 36 36 25628 1 . ALA 37 37 25628 1 . ALA 38 38 25628 1 . VAL 39 39 25628 1 . LYS 40 40 25628 1 . SER 41 41 25628 1 . GLY 42 42 25628 1 . SER 43 43 25628 1 . GLU 44 44 25628 1 . LEU 45 45 25628 1 . GLY 46 46 25628 1 . LYS 47 47 25628 1 . GLN 48 48 25628 1 . ALA 49 49 25628 1 . LYS 50 50 25628 1 . ASP 51 51 25628 1 . ILE 52 52 25628 1 . MET 53 53 25628 1 . ASP 54 54 25628 1 . ALA 55 55 25628 1 . CYS 56 56 25628 1 . LYS 57 57 25628 1 . LEU 58 58 25628 1 . VAL 59 59 25628 1 . THR 60 60 25628 1 . ASP 61 61 25628 1 . GLU 62 62 25628 1 . LEU 63 63 25628 1 . VAL 64 64 25628 1 . ILE 65 65 25628 1 . ALA 66 66 25628 1 . LEU 67 67 25628 1 . VAL 68 68 25628 1 . LYS 69 69 25628 1 . GLU 70 70 25628 1 . ARG 71 71 25628 1 . ILE 72 72 25628 1 . ALA 73 73 25628 1 . GLN 74 74 25628 1 . GLU 75 75 25628 1 . ASP 76 76 25628 1 . CYS 77 77 25628 1 . ARG 78 78 25628 1 . ASN 79 79 25628 1 . GLY 80 80 25628 1 . PHE 81 81 25628 1 . LEU 82 82 25628 1 . LEU 83 83 25628 1 . ASP 84 84 25628 1 . GLY 85 85 25628 1 . PHE 86 86 25628 1 . PRO 87 87 25628 1 . ARG 88 88 25628 1 . THR 89 89 25628 1 . ILE 90 90 25628 1 . PRO 91 91 25628 1 . GLN 92 92 25628 1 . ALA 93 93 25628 1 . ASP 94 94 25628 1 . ALA 95 95 25628 1 . MET 96 96 25628 1 . LYS 97 97 25628 1 . GLU 98 98 25628 1 . ALA 99 99 25628 1 . GLY 100 100 25628 1 . ILE 101 101 25628 1 . ASN 102 102 25628 1 . VAL 103 103 25628 1 . ASP 104 104 25628 1 . TYR 105 105 25628 1 . VAL 106 106 25628 1 . LEU 107 107 25628 1 . GLU 108 108 25628 1 . PHE 109 109 25628 1 . ASP 110 110 25628 1 . VAL 111 111 25628 1 . PRO 112 112 25628 1 . ASP 113 113 25628 1 . GLU 114 114 25628 1 . LEU 115 115 25628 1 . ILE 116 116 25628 1 . VAL 117 117 25628 1 . ASP 118 118 25628 1 . ARG 119 119 25628 1 . ILE 120 120 25628 1 . VAL 121 121 25628 1 . GLY 122 122 25628 1 . ARG 123 123 25628 1 . ARG 124 124 25628 1 . VAL 125 125 25628 1 . HIS 126 126 25628 1 . ALA 127 127 25628 1 . PRO 128 128 25628 1 . SER 129 129 25628 1 . GLY 130 130 25628 1 . ARG 131 131 25628 1 . VAL 132 132 25628 1 . TYR 133 133 25628 1 . HIS 134 134 25628 1 . VAL 135 135 25628 1 . LYS 136 136 25628 1 . PHE 137 137 25628 1 . ASN 138 138 25628 1 . PRO 139 139 25628 1 . PRO 140 140 25628 1 . LYS 141 141 25628 1 . VAL 142 142 25628 1 . GLU 143 143 25628 1 . GLY 144 144 25628 1 . LYS 145 145 25628 1 . ASP 146 146 25628 1 . ASP 147 147 25628 1 . VAL 148 148 25628 1 . THR 149 149 25628 1 . GLY 150 150 25628 1 . GLU 151 151 25628 1 . GLU 152 152 25628 1 . LEU 153 153 25628 1 . THR 154 154 25628 1 . THR 155 155 25628 1 . ARG 156 156 25628 1 . LYS 157 157 25628 1 . ASP 158 158 25628 1 . ASP 159 159 25628 1 . GLN 160 160 25628 1 . GLU 161 161 25628 1 . GLU 162 162 25628 1 . CYS 163 163 25628 1 . VAL 164 164 25628 1 . ARG 165 165 25628 1 . LYS 166 166 25628 1 . ARG 167 167 25628 1 . LEU 168 168 25628 1 . VAL 169 169 25628 1 . GLU 170 170 25628 1 . TYR 171 171 25628 1 . HIS 172 172 25628 1 . GLN 173 173 25628 1 . MET 174 174 25628 1 . THR 175 175 25628 1 . ALA 176 176 25628 1 . PRO 177 177 25628 1 . LEU 178 178 25628 1 . ILE 179 179 25628 1 . GLY 180 180 25628 1 . TYR 181 181 25628 1 . TYR 182 182 25628 1 . SER 183 183 25628 1 . LYS 184 184 25628 1 . GLU 185 185 25628 1 . ALA 186 186 25628 1 . GLU 187 187 25628 1 . ALA 188 188 25628 1 . GLY 189 189 25628 1 . ASN 190 190 25628 1 . THR 191 191 25628 1 . LYS 192 192 25628 1 . TYR 193 193 25628 1 . ALA 194 194 25628 1 . LYS 195 195 25628 1 . VAL 196 196 25628 1 . ASP 197 197 25628 1 . GLY 198 198 25628 1 . THR 199 199 25628 1 . LYS 200 200 25628 1 . PRO 201 201 25628 1 . VAL 202 202 25628 1 . ALA 203 203 25628 1 . GLU 204 204 25628 1 . VAL 205 205 25628 1 . ARG 206 206 25628 1 . ALA 207 207 25628 1 . ASP 208 208 25628 1 . LEU 209 209 25628 1 . GLU 210 210 25628 1 . LYS 211 211 25628 1 . ILE 212 212 25628 1 . LEU 213 213 25628 1 . GLY 214 214 25628 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25628 _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 $Adenylate_Kinase_G56C_T163C . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25628 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 25628 _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 $Adenylate_Kinase_G56C_T163C . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . 'pEAK-91 vector' . . . 25628 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25628 _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 'Adenylate Kinase G56C_T163C' '[U-100% 13C; U-100% 15N]' . . 1 $Adenylate_Kinase_G56C_T163C . protein 0.4 . . mM . . . . 25628 1 2 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 25628 1 3 MES 'natural abundance' . . . . . buffer 30 . . mM . . . . 25628 1 4 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25628 1 5 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25628 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 25628 _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 pH 6.0 . pH 25628 1 pressure 1 . atm 25628 1 temperature 298 . K 25628 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25628 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25628 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25628 1 'Johnson, One Moon Scientific' . . 25628 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25628 1 'data analysis' 25628 1 processing 25628 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25628 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 25628 _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 . 850 . . . 25628 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 25628 _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 . . . . . . . . . . . . . . . . 25628 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25628 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25628 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25628 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 25628 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 25628 1 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 25628 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 25628 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 25628 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.03 _Assigned_chem_shift_list.Chem_shift_15N_err 0.02 _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' 1 $sample_1 isotropic 25628 1 2 '3D HNCO' 1 $sample_1 isotropic 25628 1 3 '3D HNCA' 1 $sample_1 isotropic 25628 1 4 '3D HN(CO)CA' 1 $sample_1 isotropic 25628 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 25628 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.675 0.03 . . . . . . . 1 MET CA . 25628 1 2 . 1 1 2 2 ARG H H 1 9.65425 0.005 . . . . . . . 2 ARG HN . 25628 1 3 . 1 1 2 2 ARG C C 13 170.906 0.03 . . . . . . . 2 ARG C . 25628 1 4 . 1 1 2 2 ARG CA C 13 53.857 0.03 . . . . . . . 2 ARG CA . 25628 1 5 . 1 1 2 2 ARG N N 15 128.715 0.02 . . . . . . . 2 ARG N . 25628 1 6 . 1 1 3 3 ILE H H 1 8.4247 0.005 . . . . . . . 3 ILE HN . 25628 1 7 . 1 1 3 3 ILE C C 13 175.352 0.03 . . . . . . . 3 ILE C . 25628 1 8 . 1 1 3 3 ILE CA C 13 59.186 0.03 . . . . . . . 3 ILE CA . 25628 1 9 . 1 1 3 3 ILE N N 15 124.865 0.02 . . . . . . . 3 ILE N . 25628 1 10 . 1 1 4 4 ILE H H 1 8.56746 0.005 . . . . . . . 4 ILE HN . 25628 1 11 . 1 1 4 4 ILE C C 13 174.7 0.03 . . . . . . . 4 ILE C . 25628 1 12 . 1 1 4 4 ILE CA C 13 61.042 0.03 . . . . . . . 4 ILE CA . 25628 1 13 . 1 1 4 4 ILE N N 15 126.87 0.02 . . . . . . . 4 ILE N . 25628 1 14 . 1 1 5 5 LEU CA C 13 53.019 0.03 . . . . . . . 5 LEU CA . 25628 1 15 . 1 1 6 6 LEU H H 1 9.36023 0.005 . . . . . . . 6 LEU HN . 25628 1 16 . 1 1 6 6 LEU C C 13 175.036 0.03 . . . . . . . 6 LEU C . 25628 1 17 . 1 1 6 6 LEU CA C 13 53.291 0.03 . . . . . . . 6 LEU CA . 25628 1 18 . 1 1 6 6 LEU N N 15 129.202 0.02 . . . . . . . 6 LEU N . 25628 1 19 . 1 1 7 7 GLY H H 1 7.98205 0.005 . . . . . . . 7 GLY HN . 25628 1 20 . 1 1 7 7 GLY C C 13 175.58 0.03 . . . . . . . 7 GLY C . 25628 1 21 . 1 1 7 7 GLY CA C 13 45.634 0.03 . . . . . . . 7 GLY CA . 25628 1 22 . 1 1 7 7 GLY N N 15 109.055 0.02 . . . . . . . 7 GLY N . 25628 1 23 . 1 1 8 8 ALA H H 1 9.1152 0.005 . . . . . . . 8 ALA HN . 25628 1 24 . 1 1 8 8 ALA C C 13 170.965 0.03 . . . . . . . 8 ALA C . 25628 1 25 . 1 1 8 8 ALA CA C 13 50.126 0.03 . . . . . . . 8 ALA CA . 25628 1 26 . 1 1 8 8 ALA N N 15 127.204 0.02 . . . . . . . 8 ALA N . 25628 1 27 . 1 1 11 11 ALA H H 1 8.002 0.005 . . . . . . . 11 ALA HN . 25628 1 28 . 1 1 11 11 ALA C C 13 175.796 0.03 . . . . . . . 11 ALA C . 25628 1 29 . 1 1 11 11 ALA CA C 13 53.735 0.03 . . . . . . . 11 ALA CA . 25628 1 30 . 1 1 11 11 ALA N N 15 122.04 0.02 . . . . . . . 11 ALA N . 25628 1 31 . 1 1 13 13 LYS CA C 13 58.415 0.03 . . . . . . . 13 LYS CA . 25628 1 32 . 1 1 14 14 GLY H H 1 8.29725 0.005 . . . . . . . 14 GLY HN . 25628 1 33 . 1 1 14 14 GLY C C 13 175.19 0.03 . . . . . . . 14 GLY C . 25628 1 34 . 1 1 14 14 GLY CA C 13 45.253 0.03 . . . . . . . 14 GLY CA . 25628 1 35 . 1 1 14 14 GLY N N 15 111.136 0.02 . . . . . . . 14 GLY N . 25628 1 36 . 1 1 15 15 THR CA C 13 55.484 0.03 . . . . . . . 15 THR CA . 25628 1 37 . 1 1 18 18 GLN H H 1 7.63678 0.005 . . . . . . . 18 GLN HN . 25628 1 38 . 1 1 18 18 GLN C C 13 178.416 0.03 . . . . . . . 18 GLN C . 25628 1 39 . 1 1 18 18 GLN CA C 13 58.894 0.03 . . . . . . . 18 GLN CA . 25628 1 40 . 1 1 18 18 GLN N N 15 115.938 0.02 . . . . . . . 18 GLN N . 25628 1 41 . 1 1 19 19 PHE H H 1 7.09454 0.005 . . . . . . . 19 PHE HN . 25628 1 42 . 1 1 19 19 PHE C C 13 177.71 0.03 . . . . . . . 19 PHE C . 25628 1 43 . 1 1 19 19 PHE CA C 13 60.168 0.03 . . . . . . . 19 PHE CA . 25628 1 44 . 1 1 19 19 PHE N N 15 119.213 0.02 . . . . . . . 19 PHE N . 25628 1 45 . 1 1 20 20 ILE H H 1 7.68 0.005 . . . . . . . 20 ILE HN . 25628 1 46 . 1 1 20 20 ILE C C 13 176.856 0.03 . . . . . . . 20 ILE C . 25628 1 47 . 1 1 20 20 ILE CA C 13 65.312 0.03 . . . . . . . 20 ILE CA . 25628 1 48 . 1 1 20 20 ILE N N 15 120.387 0.02 . . . . . . . 20 ILE N . 25628 1 49 . 1 1 21 21 MET H H 1 8.234 0.005 . . . . . . . 21 MET HN . 25628 1 50 . 1 1 21 21 MET C C 13 177.473 0.03 . . . . . . . 21 MET C . 25628 1 51 . 1 1 21 21 MET CA C 13 59.58 0.03 . . . . . . . 21 MET CA . 25628 1 52 . 1 1 21 21 MET N N 15 118.886 0.02 . . . . . . . 21 MET N . 25628 1 53 . 1 1 22 22 GLU H H 1 7.78796 0.005 . . . . . . . 22 GLU HN . 25628 1 54 . 1 1 22 22 GLU C C 13 179.334 0.03 . . . . . . . 22 GLU C . 25628 1 55 . 1 1 22 22 GLU CA C 13 58.443 0.03 . . . . . . . 22 GLU CA . 25628 1 56 . 1 1 22 22 GLU N N 15 117.827 0.02 . . . . . . . 22 GLU N . 25628 1 57 . 1 1 24 24 TYR H H 1 7.445 0.005 . . . . . . . 24 TYR HN . 25628 1 58 . 1 1 24 24 TYR C C 13 178.119 0.03 . . . . . . . 24 TYR C . 25628 1 59 . 1 1 24 24 TYR CA C 13 58.291 0.03 . . . . . . . 24 TYR CA . 25628 1 60 . 1 1 24 24 TYR N N 15 112.554 0.02 . . . . . . . 24 TYR N . 25628 1 61 . 1 1 25 25 GLY H H 1 7.66041 0.005 . . . . . . . 25 GLY HN . 25628 1 62 . 1 1 25 25 GLY C C 13 176.066 0.03 . . . . . . . 25 GLY C . 25628 1 63 . 1 1 25 25 GLY CA C 13 47.623 0.03 . . . . . . . 25 GLY CA . 25628 1 64 . 1 1 25 25 GLY N N 15 112.114 0.02 . . . . . . . 25 GLY N . 25628 1 65 . 1 1 26 26 ILE H H 1 7.17657 0.005 . . . . . . . 26 ILE HN . 25628 1 66 . 1 1 26 26 ILE C C 13 174.749 0.03 . . . . . . . 26 ILE C . 25628 1 67 . 1 1 26 26 ILE CA C 13 56.979 0.03 . . . . . . . 26 ILE CA . 25628 1 68 . 1 1 26 26 ILE N N 15 111.618 0.02 . . . . . . . 26 ILE N . 25628 1 69 . 1 1 27 27 PRO CA C 13 61.849 0.03 . . . . . . . 27 PRO CA . 25628 1 70 . 1 1 28 28 GLN H H 1 8.16152 0.005 . . . . . . . 28 GLN HN . 25628 1 71 . 1 1 28 28 GLN C C 13 175.184 0.03 . . . . . . . 28 GLN C . 25628 1 72 . 1 1 28 28 GLN CA C 13 54.477 0.03 . . . . . . . 28 GLN CA . 25628 1 73 . 1 1 28 28 GLN N N 15 119.353 0.02 . . . . . . . 28 GLN N . 25628 1 74 . 1 1 29 29 ILE H H 1 9.19407 0.005 . . . . . . . 29 ILE HN . 25628 1 75 . 1 1 29 29 ILE C C 13 175.026 0.03 . . . . . . . 29 ILE C . 25628 1 76 . 1 1 29 29 ILE CA C 13 59.867 0.03 . . . . . . . 29 ILE CA . 25628 1 77 . 1 1 29 29 ILE N N 15 129.429 0.02 . . . . . . . 29 ILE N . 25628 1 78 . 1 1 30 30 SER H H 1 8.581 0.005 . . . . . . . 30 SER HN . 25628 1 79 . 1 1 30 30 SER C C 13 174.067 0.03 . . . . . . . 30 SER C . 25628 1 80 . 1 1 30 30 SER CA C 13 55.881 0.03 . . . . . . . 30 SER CA . 25628 1 81 . 1 1 30 30 SER N N 15 121.816 0.02 . . . . . . . 30 SER N . 25628 1 82 . 1 1 31 31 THR CA C 13 65.921 0.03 . . . . . . . 31 THR CA . 25628 1 83 . 1 1 32 32 GLY H H 1 8.51192 0.005 . . . . . . . 32 GLY HN . 25628 1 84 . 1 1 32 32 GLY C C 13 176.671 0.03 . . . . . . . 32 GLY C . 25628 1 85 . 1 1 32 32 GLY CA C 13 47.08 0.03 . . . . . . . 32 GLY CA . 25628 1 86 . 1 1 32 32 GLY N N 15 109.635 0.02 . . . . . . . 32 GLY N . 25628 1 87 . 1 1 33 33 ASP CA C 13 57.481 0.03 . . . . . . . 33 ASP CA . 25628 1 88 . 1 1 34 34 MET H H 1 8.053 0.005 . . . . . . . 34 MET HN . 25628 1 89 . 1 1 34 34 MET CA C 13 56.734 0.03 . . . . . . . 34 MET CA . 25628 1 90 . 1 1 34 34 MET N N 15 120.282 0.02 . . . . . . . 34 MET N . 25628 1 91 . 1 1 35 35 LEU H H 1 8.46605 0.005 . . . . . . . 35 LEU HN . 25628 1 92 . 1 1 35 35 LEU CA C 13 56.943 0.03 . . . . . . . 35 LEU CA . 25628 1 93 . 1 1 35 35 LEU N N 15 122.081 0.02 . . . . . . . 35 LEU N . 25628 1 94 . 1 1 36 36 ARG CA C 13 57.603 0.03 . . . . . . . 36 ARG CA . 25628 1 95 . 1 1 37 37 ALA H H 1 7.888 0.005 . . . . . . . 37 ALA HN . 25628 1 96 . 1 1 37 37 ALA C C 13 180.042 0.03 . . . . . . . 37 ALA C . 25628 1 97 . 1 1 37 37 ALA CA C 13 53.029 0.03 . . . . . . . 37 ALA CA . 25628 1 98 . 1 1 37 37 ALA N N 15 121.1 0.02 . . . . . . . 37 ALA N . 25628 1 99 . 1 1 38 38 ALA H H 1 7.853 0.005 . . . . . . . 38 ALA HN . 25628 1 100 . 1 1 38 38 ALA C C 13 178.643 0.03 . . . . . . . 38 ALA C . 25628 1 101 . 1 1 38 38 ALA CA C 13 53.425 0.03 . . . . . . . 38 ALA CA . 25628 1 102 . 1 1 38 38 ALA N N 15 122.907 0.02 . . . . . . . 38 ALA N . 25628 1 103 . 1 1 39 39 VAL CA C 13 67.164 0.03 . . . . . . . 39 VAL CA . 25628 1 104 . 1 1 40 40 LYS CA C 13 59.643 0.03 . . . . . . . 40 LYS CA . 25628 1 105 . 1 1 43 43 SER H H 1 7.93187 0.005 . . . . . . . 43 SER HN . 25628 1 106 . 1 1 43 43 SER C C 13 174.536 0.03 . . . . . . . 43 SER C . 25628 1 107 . 1 1 43 43 SER CA C 13 58.301 0.03 . . . . . . . 43 SER CA . 25628 1 108 . 1 1 43 43 SER N N 15 115.831 0.02 . . . . . . . 43 SER N . 25628 1 109 . 1 1 44 44 GLU H H 1 8.59901 0.005 . . . . . . . 44 GLU HN . 25628 1 110 . 1 1 44 44 GLU C C 13 174.889 0.03 . . . . . . . 44 GLU C . 25628 1 111 . 1 1 44 44 GLU CA C 13 57.658 0.03 . . . . . . . 44 GLU CA . 25628 1 112 . 1 1 44 44 GLU N N 15 123.223 0.02 . . . . . . . 44 GLU N . 25628 1 113 . 1 1 45 45 LEU CA C 13 56.425 0.03 . . . . . . . 45 LEU CA . 25628 1 114 . 1 1 46 46 GLY H H 1 8.121 0.005 . . . . . . . 46 GLY HN . 25628 1 115 . 1 1 46 46 GLY C C 13 178.399 0.03 . . . . . . . 46 GLY C . 25628 1 116 . 1 1 46 46 GLY CA C 13 45.919 0.03 . . . . . . . 46 GLY CA . 25628 1 117 . 1 1 46 46 GLY N N 15 108.82 0.02 . . . . . . . 46 GLY N . 25628 1 118 . 1 1 47 47 LYS CA C 13 59.445 0.03 . . . . . . . 47 LYS CA . 25628 1 119 . 1 1 48 48 GLN H H 1 7.479 0.005 . . . . . . . 48 GLN HN . 25628 1 120 . 1 1 48 48 GLN C C 13 179.504 0.03 . . . . . . . 48 GLN C . 25628 1 121 . 1 1 48 48 GLN CA C 13 58.761 0.03 . . . . . . . 48 GLN CA . 25628 1 122 . 1 1 48 48 GLN N N 15 119.108 0.02 . . . . . . . 48 GLN N . 25628 1 123 . 1 1 49 49 ALA CA C 13 53.251 0.03 . . . . . . . 49 ALA CA . 25628 1 124 . 1 1 56 56 CYS H H 1 7.98206 0.005 . . . . . . . 56 CYS HN . 25628 1 125 . 1 1 56 56 CYS C C 13 175.802 0.03 . . . . . . . 56 CYS C . 25628 1 126 . 1 1 56 56 CYS CA C 13 62.252 0.03 . . . . . . . 56 CYS CA . 25628 1 127 . 1 1 56 56 CYS N N 15 115.117 0.02 . . . . . . . 56 CYS N . 25628 1 128 . 1 1 57 57 LYS CA C 13 56.134 0.03 . . . . . . . 57 LYS CA . 25628 1 129 . 1 1 59 59 VAL C C 13 176.414 0.03 . . . . . . . 59 VAL C . 25628 1 130 . 1 1 59 59 VAL CA C 13 62.106 0.03 . . . . . . . 59 VAL CA . 25628 1 131 . 1 1 61 61 ASP H H 1 8.8036 0.005 . . . . . . . 61 ASP HN . 25628 1 132 . 1 1 61 61 ASP C C 13 175.007 0.03 . . . . . . . 61 ASP C . 25628 1 133 . 1 1 61 61 ASP CA C 13 57.57 0.03 . . . . . . . 61 ASP CA . 25628 1 134 . 1 1 61 61 ASP N N 15 122.402 0.02 . . . . . . . 61 ASP N . 25628 1 135 . 1 1 62 62 GLU H H 1 8.8477 0.005 . . . . . . . 62 GLU HN . 25628 1 136 . 1 1 62 62 GLU C C 13 177.596 0.03 . . . . . . . 62 GLU C . 25628 1 137 . 1 1 62 62 GLU CA C 13 63.075 0.03 . . . . . . . 62 GLU CA . 25628 1 138 . 1 1 62 62 GLU N N 15 115.422 0.02 . . . . . . . 62 GLU N . 25628 1 139 . 1 1 66 66 ALA H H 1 7.55296 0.005 . . . . . . . 66 ALA HN . 25628 1 140 . 1 1 66 66 ALA C C 13 177.097 0.03 . . . . . . . 66 ALA C . 25628 1 141 . 1 1 66 66 ALA CA C 13 55.517 0.03 . . . . . . . 66 ALA CA . 25628 1 142 . 1 1 66 66 ALA N N 15 123.395 0.02 . . . . . . . 66 ALA N . 25628 1 143 . 1 1 67 67 LEU CA C 13 62.888 0.03 . . . . . . . 67 LEU CA . 25628 1 144 . 1 1 73 73 ALA H H 1 6.93306 0.005 . . . . . . . 73 ALA HN . 25628 1 145 . 1 1 73 73 ALA C C 13 175.937 0.03 . . . . . . . 73 ALA C . 25628 1 146 . 1 1 73 73 ALA CA C 13 51.871 0.03 . . . . . . . 73 ALA CA . 25628 1 147 . 1 1 73 73 ALA N N 15 122.867 0.02 . . . . . . . 73 ALA N . 25628 1 148 . 1 1 74 74 GLN H H 1 7.11436 0.005 . . . . . . . 74 GLN HN . 25628 1 149 . 1 1 74 74 GLN C C 13 178.285 0.03 . . . . . . . 74 GLN C . 25628 1 150 . 1 1 74 74 GLN CA C 13 56.004 0.03 . . . . . . . 74 GLN CA . 25628 1 151 . 1 1 74 74 GLN N N 15 117.002 0.02 . . . . . . . 74 GLN N . 25628 1 152 . 1 1 75 75 GLU H H 1 8.87075 0.005 . . . . . . . 75 GLU HN . 25628 1 153 . 1 1 75 75 GLU C C 13 178.298 0.03 . . . . . . . 75 GLU C . 25628 1 154 . 1 1 75 75 GLU CA C 13 59.386 0.03 . . . . . . . 75 GLU CA . 25628 1 155 . 1 1 75 75 GLU N N 15 122.553 0.02 . . . . . . . 75 GLU N . 25628 1 156 . 1 1 76 76 ASP H H 1 8.375 0.005 . . . . . . . 76 ASP HN . 25628 1 157 . 1 1 76 76 ASP C C 13 177.703 0.03 . . . . . . . 76 ASP C . 25628 1 158 . 1 1 76 76 ASP CA C 13 55.344 0.03 . . . . . . . 76 ASP CA . 25628 1 159 . 1 1 76 76 ASP N N 15 117.518 0.02 . . . . . . . 76 ASP N . 25628 1 160 . 1 1 77 77 CYS H H 1 7.5999 0.005 . . . . . . . 77 CYS HN . 25628 1 161 . 1 1 77 77 CYS C C 13 177.815 0.03 . . . . . . . 77 CYS C . 25628 1 162 . 1 1 77 77 CYS CA C 13 59.996 0.03 . . . . . . . 77 CYS CA . 25628 1 163 . 1 1 77 77 CYS N N 15 118.472 0.02 . . . . . . . 77 CYS N . 25628 1 164 . 1 1 78 78 ARG H H 1 7.571 0.005 . . . . . . . 78 ARG HN . 25628 1 165 . 1 1 78 78 ARG C C 13 176.639 0.03 . . . . . . . 78 ARG C . 25628 1 166 . 1 1 78 78 ARG CA C 13 59.71 0.03 . . . . . . . 78 ARG CA . 25628 1 167 . 1 1 78 78 ARG N N 15 122.963 0.02 . . . . . . . 78 ARG N . 25628 1 168 . 1 1 79 79 ASN H H 1 8.68332 0.005 . . . . . . . 79 ASN HN . 25628 1 169 . 1 1 79 79 ASN C C 13 177.357 0.03 . . . . . . . 79 ASN C . 25628 1 170 . 1 1 79 79 ASN CA C 13 52.623 0.03 . . . . . . . 79 ASN CA . 25628 1 171 . 1 1 79 79 ASN N N 15 115.711 0.02 . . . . . . . 79 ASN N . 25628 1 172 . 1 1 80 80 GLY H H 1 7.53032 0.005 . . . . . . . 80 GLY HN . 25628 1 173 . 1 1 80 80 GLY C C 13 173.78 0.03 . . . . . . . 80 GLY C . 25628 1 174 . 1 1 80 80 GLY CA C 13 43.694 0.03 . . . . . . . 80 GLY CA . 25628 1 175 . 1 1 80 80 GLY N N 15 108.905 0.02 . . . . . . . 80 GLY N . 25628 1 176 . 1 1 81 81 PHE H H 1 7.25304 0.005 . . . . . . . 81 PHE HN . 25628 1 177 . 1 1 81 81 PHE C C 13 171.717 0.03 . . . . . . . 81 PHE C . 25628 1 178 . 1 1 81 81 PHE CA C 13 56.935 0.03 . . . . . . . 81 PHE CA . 25628 1 179 . 1 1 81 81 PHE N N 15 109.151 0.02 . . . . . . . 81 PHE N . 25628 1 180 . 1 1 82 82 LEU H H 1 8.66959 0.005 . . . . . . . 82 LEU HN . 25628 1 181 . 1 1 82 82 LEU C C 13 172.218 0.03 . . . . . . . 82 LEU C . 25628 1 182 . 1 1 82 82 LEU CA C 13 53.338 0.03 . . . . . . . 82 LEU CA . 25628 1 183 . 1 1 82 82 LEU N N 15 122.999 0.02 . . . . . . . 82 LEU N . 25628 1 184 . 1 1 83 83 LEU H H 1 9.41999 0.005 . . . . . . . 83 LEU HN . 25628 1 185 . 1 1 83 83 LEU C C 13 174.554 0.03 . . . . . . . 83 LEU C . 25628 1 186 . 1 1 83 83 LEU CA C 13 54.52 0.03 . . . . . . . 83 LEU CA . 25628 1 187 . 1 1 83 83 LEU N N 15 128.328 0.02 . . . . . . . 83 LEU N . 25628 1 188 . 1 1 84 84 ASP H H 1 8.59854 0.005 . . . . . . . 84 ASP HN . 25628 1 189 . 1 1 84 84 ASP C C 13 174.894 0.03 . . . . . . . 84 ASP C . 25628 1 190 . 1 1 84 84 ASP CA C 13 52.956 0.03 . . . . . . . 84 ASP CA . 25628 1 191 . 1 1 84 84 ASP N N 15 123.961 0.02 . . . . . . . 84 ASP N . 25628 1 192 . 1 1 85 85 GLY H H 1 8.75946 0.005 . . . . . . . 85 GLY HN . 25628 1 193 . 1 1 85 85 GLY C C 13 176.421 0.03 . . . . . . . 85 GLY C . 25628 1 194 . 1 1 85 85 GLY CA C 13 45.84 0.03 . . . . . . . 85 GLY CA . 25628 1 195 . 1 1 85 85 GLY N N 15 112.896 0.02 . . . . . . . 85 GLY N . 25628 1 196 . 1 1 86 86 PHE H H 1 7.29218 0.005 . . . . . . . 86 PHE HN . 25628 1 197 . 1 1 86 86 PHE C C 13 172.657 0.03 . . . . . . . 86 PHE C . 25628 1 198 . 1 1 86 86 PHE CA C 13 55.08 0.03 . . . . . . . 86 PHE CA . 25628 1 199 . 1 1 86 86 PHE N N 15 119.222 0.02 . . . . . . . 86 PHE N . 25628 1 200 . 1 1 87 87 PRO CA C 13 62.224 0.03 . . . . . . . 87 PRO CA . 25628 1 201 . 1 1 88 88 ARG H H 1 8.62226 0.005 . . . . . . . 88 ARG HN . 25628 1 202 . 1 1 88 88 ARG C C 13 174.775 0.03 . . . . . . . 88 ARG C . 25628 1 203 . 1 1 88 88 ARG CA C 13 55.773 0.03 . . . . . . . 88 ARG CA . 25628 1 204 . 1 1 88 88 ARG N N 15 115.705 0.02 . . . . . . . 88 ARG N . 25628 1 205 . 1 1 89 89 THR H H 1 6.91954 0.005 . . . . . . . 89 THR HN . 25628 1 206 . 1 1 89 89 THR C C 13 175.236 0.03 . . . . . . . 89 THR C . 25628 1 207 . 1 1 89 89 THR CA C 13 57.955 0.03 . . . . . . . 89 THR CA . 25628 1 208 . 1 1 89 89 THR N N 15 106.047 0.02 . . . . . . . 89 THR N . 25628 1 209 . 1 1 90 90 ILE H H 1 8.9882 0.005 . . . . . . . 90 ILE HN . 25628 1 210 . 1 1 90 90 ILE C C 13 174.192 0.03 . . . . . . . 90 ILE C . 25628 1 211 . 1 1 90 90 ILE CA C 13 66.371 0.03 . . . . . . . 90 ILE CA . 25628 1 212 . 1 1 90 90 ILE N N 15 122.165 0.02 . . . . . . . 90 ILE N . 25628 1 213 . 1 1 91 91 PRO CA C 13 66.321 0.03 . . . . . . . 91 PRO CA . 25628 1 214 . 1 1 92 92 GLN H H 1 7.13728 0.005 . . . . . . . 92 GLN HN . 25628 1 215 . 1 1 92 92 GLN C C 13 180.63 0.03 . . . . . . . 92 GLN C . 25628 1 216 . 1 1 92 92 GLN CA C 13 58.861 0.03 . . . . . . . 92 GLN CA . 25628 1 217 . 1 1 92 92 GLN N N 15 116.651 0.02 . . . . . . . 92 GLN N . 25628 1 218 . 1 1 93 93 ALA H H 1 7.67394 0.005 . . . . . . . 93 ALA HN . 25628 1 219 . 1 1 93 93 ALA C C 13 177.232 0.03 . . . . . . . 93 ALA C . 25628 1 220 . 1 1 93 93 ALA CA C 13 55.454 0.03 . . . . . . . 93 ALA CA . 25628 1 221 . 1 1 93 93 ALA N N 15 125.337 0.02 . . . . . . . 93 ALA N . 25628 1 222 . 1 1 94 94 ASP H H 1 8.81864 0.005 . . . . . . . 94 ASP HN . 25628 1 223 . 1 1 94 94 ASP C C 13 181.468 0.03 . . . . . . . 94 ASP C . 25628 1 224 . 1 1 94 94 ASP CA C 13 56.963 0.03 . . . . . . . 94 ASP CA . 25628 1 225 . 1 1 94 94 ASP N N 15 120.414 0.02 . . . . . . . 94 ASP N . 25628 1 226 . 1 1 95 95 ALA H H 1 7.9159 0.005 . . . . . . . 95 ALA HN . 25628 1 227 . 1 1 95 95 ALA C C 13 178.759 0.03 . . . . . . . 95 ALA C . 25628 1 228 . 1 1 95 95 ALA CA C 13 54.838 0.03 . . . . . . . 95 ALA CA . 25628 1 229 . 1 1 95 95 ALA N N 15 123.571 0.02 . . . . . . . 95 ALA N . 25628 1 230 . 1 1 96 96 MET CA C 13 60.108 0.03 . . . . . . . 96 MET CA . 25628 1 231 . 1 1 97 97 LYS H H 1 7.60054 0.005 . . . . . . . 97 LYS HN . 25628 1 232 . 1 1 97 97 LYS C C 13 177.111 0.03 . . . . . . . 97 LYS C . 25628 1 233 . 1 1 97 97 LYS CA C 13 59.856 0.03 . . . . . . . 97 LYS CA . 25628 1 234 . 1 1 97 97 LYS N N 15 121.354 0.02 . . . . . . . 97 LYS N . 25628 1 235 . 1 1 98 98 GLU H H 1 8.4925 0.005 . . . . . . . 98 GLU HN . 25628 1 236 . 1 1 98 98 GLU C C 13 181.441 0.03 . . . . . . . 98 GLU C . 25628 1 237 . 1 1 98 98 GLU CA C 13 58.9 0.03 . . . . . . . 98 GLU CA . 25628 1 238 . 1 1 98 98 GLU N N 15 121.902 0.02 . . . . . . . 98 GLU N . 25628 1 239 . 1 1 99 99 ALA H H 1 7.338 0.005 . . . . . . . 99 ALA HN . 25628 1 240 . 1 1 99 99 ALA C C 13 177.565 0.03 . . . . . . . 99 ALA C . 25628 1 241 . 1 1 99 99 ALA CA C 13 51.857 0.03 . . . . . . . 99 ALA CA . 25628 1 242 . 1 1 99 99 ALA N N 15 119.174 0.02 . . . . . . . 99 ALA N . 25628 1 243 . 1 1 100 100 GLY H H 1 7.802 0.005 . . . . . . . 100 GLY HN . 25628 1 244 . 1 1 100 100 GLY C C 13 177.109 0.03 . . . . . . . 100 GLY C . 25628 1 245 . 1 1 100 100 GLY CA C 13 45.775 0.03 . . . . . . . 100 GLY CA . 25628 1 246 . 1 1 100 100 GLY N N 15 107.6 0.02 . . . . . . . 100 GLY N . 25628 1 247 . 1 1 101 101 ILE H H 1 7.9523 0.005 . . . . . . . 101 ILE HN . 25628 1 248 . 1 1 101 101 ILE C C 13 174.536 0.03 . . . . . . . 101 ILE C . 25628 1 249 . 1 1 101 101 ILE CA C 13 60.54 0.03 . . . . . . . 101 ILE CA . 25628 1 250 . 1 1 101 101 ILE N N 15 122.301 0.02 . . . . . . . 101 ILE N . 25628 1 251 . 1 1 102 102 ASN H H 1 7.77296 0.005 . . . . . . . 102 ASN HN . 25628 1 252 . 1 1 102 102 ASN C C 13 173.255 0.03 . . . . . . . 102 ASN C . 25628 1 253 . 1 1 102 102 ASN CA C 13 52.819 0.03 . . . . . . . 102 ASN CA . 25628 1 254 . 1 1 102 102 ASN N N 15 123.747 0.02 . . . . . . . 102 ASN N . 25628 1 255 . 1 1 103 103 VAL H H 1 8.28684 0.005 . . . . . . . 103 VAL HN . 25628 1 256 . 1 1 103 103 VAL C C 13 173.716 0.03 . . . . . . . 103 VAL C . 25628 1 257 . 1 1 103 103 VAL CA C 13 60.384 0.03 . . . . . . . 103 VAL CA . 25628 1 258 . 1 1 103 103 VAL N N 15 113.738 0.02 . . . . . . . 103 VAL N . 25628 1 259 . 1 1 105 105 TYR H H 1 7.41025 0.005 . . . . . . . 105 TYR HN . 25628 1 260 . 1 1 105 105 TYR C C 13 175.486 0.03 . . . . . . . 105 TYR C . 25628 1 261 . 1 1 105 105 TYR CA C 13 57.069 0.03 . . . . . . . 105 TYR CA . 25628 1 262 . 1 1 105 105 TYR N N 15 114.438 0.02 . . . . . . . 105 TYR N . 25628 1 263 . 1 1 106 106 VAL H H 1 8.85948 0.005 . . . . . . . 106 VAL HN . 25628 1 264 . 1 1 106 106 VAL C C 13 173.779 0.03 . . . . . . . 106 VAL C . 25628 1 265 . 1 1 106 106 VAL CA C 13 61.975 0.03 . . . . . . . 106 VAL CA . 25628 1 266 . 1 1 106 106 VAL N N 15 123.804 0.02 . . . . . . . 106 VAL N . 25628 1 267 . 1 1 107 107 LEU H H 1 8.77399 0.005 . . . . . . . 107 LEU HN . 25628 1 268 . 1 1 107 107 LEU C C 13 173.488 0.03 . . . . . . . 107 LEU C . 25628 1 269 . 1 1 107 107 LEU CA C 13 51.549 0.03 . . . . . . . 107 LEU CA . 25628 1 270 . 1 1 107 107 LEU N N 15 125.047 0.02 . . . . . . . 107 LEU N . 25628 1 271 . 1 1 108 108 GLU H H 1 8.71621 0.005 . . . . . . . 108 GLU HN . 25628 1 272 . 1 1 108 108 GLU C C 13 174.55 0.03 . . . . . . . 108 GLU C . 25628 1 273 . 1 1 108 108 GLU CA C 13 54.123 0.03 . . . . . . . 108 GLU CA . 25628 1 274 . 1 1 108 108 GLU N N 15 125.326 0.02 . . . . . . . 108 GLU N . 25628 1 275 . 1 1 109 109 PHE H H 1 9.09114 0.005 . . . . . . . 109 PHE HN . 25628 1 276 . 1 1 109 109 PHE C C 13 173.612 0.03 . . . . . . . 109 PHE C . 25628 1 277 . 1 1 109 109 PHE CA C 13 57.786 0.03 . . . . . . . 109 PHE CA . 25628 1 278 . 1 1 109 109 PHE N N 15 130.838 0.02 . . . . . . . 109 PHE N . 25628 1 279 . 1 1 110 110 ASP H H 1 8.61918 0.005 . . . . . . . 110 ASP HN . 25628 1 280 . 1 1 110 110 ASP C C 13 173.118 0.03 . . . . . . . 110 ASP C . 25628 1 281 . 1 1 110 110 ASP CA C 13 54.707 0.03 . . . . . . . 110 ASP CA . 25628 1 282 . 1 1 110 110 ASP N N 15 128.852 0.02 . . . . . . . 110 ASP N . 25628 1 283 . 1 1 111 111 VAL H H 1 7.42544 0.005 . . . . . . . 111 VAL HN . 25628 1 284 . 1 1 111 111 VAL C C 13 174.891 0.03 . . . . . . . 111 VAL C . 25628 1 285 . 1 1 111 111 VAL CA C 13 59.309 0.03 . . . . . . . 111 VAL CA . 25628 1 286 . 1 1 111 111 VAL N N 15 125.563 0.02 . . . . . . . 111 VAL N . 25628 1 287 . 1 1 112 112 PRO CA C 13 63.106 0.03 . . . . . . . 112 PRO CA . 25628 1 288 . 1 1 113 113 ASP H H 1 8.78389 0.005 . . . . . . . 113 ASP HN . 25628 1 289 . 1 1 113 113 ASP C C 13 177.357 0.03 . . . . . . . 113 ASP C . 25628 1 290 . 1 1 113 113 ASP CA C 13 57.729 0.03 . . . . . . . 113 ASP CA . 25628 1 291 . 1 1 113 113 ASP N N 15 124.377 0.02 . . . . . . . 113 ASP N . 25628 1 292 . 1 1 114 114 GLU H H 1 8.92553 0.005 . . . . . . . 114 GLU HN . 25628 1 293 . 1 1 114 114 GLU C C 13 177.868 0.03 . . . . . . . 114 GLU C . 25628 1 294 . 1 1 114 114 GLU CA C 13 59.468 0.03 . . . . . . . 114 GLU CA . 25628 1 295 . 1 1 114 114 GLU N N 15 115.139 0.02 . . . . . . . 114 GLU N . 25628 1 296 . 1 1 115 115 LEU H H 1 6.97829 0.005 . . . . . . . 115 LEU HN . 25628 1 297 . 1 1 115 115 LEU C C 13 178.68 0.03 . . . . . . . 115 LEU C . 25628 1 298 . 1 1 115 115 LEU CA C 13 57.283 0.03 . . . . . . . 115 LEU CA . 25628 1 299 . 1 1 115 115 LEU N N 15 119.6 0.02 . . . . . . . 115 LEU N . 25628 1 300 . 1 1 116 116 ILE H H 1 7.25001 0.005 . . . . . . . 116 ILE HN . 25628 1 301 . 1 1 116 116 ILE C C 13 178.997 0.03 . . . . . . . 116 ILE C . 25628 1 302 . 1 1 116 116 ILE CA C 13 65.586 0.03 . . . . . . . 116 ILE CA . 25628 1 303 . 1 1 116 116 ILE N N 15 121.331 0.02 . . . . . . . 116 ILE N . 25628 1 304 . 1 1 117 117 VAL H H 1 8.14252 0.005 . . . . . . . 117 VAL HN . 25628 1 305 . 1 1 117 117 VAL C C 13 177.813 0.03 . . . . . . . 117 VAL C . 25628 1 306 . 1 1 117 117 VAL CA C 13 67.555 0.03 . . . . . . . 117 VAL CA . 25628 1 307 . 1 1 117 117 VAL N N 15 117.694 0.02 . . . . . . . 117 VAL N . 25628 1 308 . 1 1 118 118 ASP H H 1 7.598 0.005 . . . . . . . 118 ASP HN . 25628 1 309 . 1 1 118 118 ASP C C 13 177.568 0.03 . . . . . . . 118 ASP C . 25628 1 310 . 1 1 118 118 ASP CA C 13 57.327 0.03 . . . . . . . 118 ASP CA . 25628 1 311 . 1 1 118 118 ASP N N 15 117.377 0.02 . . . . . . . 118 ASP N . 25628 1 312 . 1 1 119 119 ARG H H 1 7.90283 0.005 . . . . . . . 119 ARG HN . 25628 1 313 . 1 1 119 119 ARG C C 13 179.22 0.03 . . . . . . . 119 ARG C . 25628 1 314 . 1 1 119 119 ARG CA C 13 59.577 0.03 . . . . . . . 119 ARG CA . 25628 1 315 . 1 1 119 119 ARG N N 15 116.99 0.02 . . . . . . . 119 ARG N . 25628 1 316 . 1 1 120 120 ILE H H 1 7.91976 0.005 . . . . . . . 120 ILE HN . 25628 1 317 . 1 1 120 120 ILE C C 13 177.44 0.03 . . . . . . . 120 ILE C . 25628 1 318 . 1 1 120 120 ILE CA C 13 64.025 0.03 . . . . . . . 120 ILE CA . 25628 1 319 . 1 1 120 120 ILE N N 15 119.524 0.02 . . . . . . . 120 ILE N . 25628 1 320 . 1 1 121 121 VAL H H 1 8.73202 0.005 . . . . . . . 121 VAL HN . 25628 1 321 . 1 1 121 121 VAL C C 13 177.496 0.03 . . . . . . . 121 VAL C . 25628 1 322 . 1 1 121 121 VAL CA C 13 64.231 0.03 . . . . . . . 121 VAL CA . 25628 1 323 . 1 1 121 121 VAL N N 15 115.951 0.02 . . . . . . . 121 VAL N . 25628 1 324 . 1 1 122 122 GLY CA C 13 44.732 0.03 . . . . . . . 122 GLY CA . 25628 1 325 . 1 1 123 123 ARG H H 1 7.6054 0.005 . . . . . . . 123 ARG HN . 25628 1 326 . 1 1 123 123 ARG C C 13 173.127 0.03 . . . . . . . 123 ARG C . 25628 1 327 . 1 1 123 123 ARG CA C 13 57.458 0.03 . . . . . . . 123 ARG CA . 25628 1 328 . 1 1 123 123 ARG N N 15 121.356 0.02 . . . . . . . 123 ARG N . 25628 1 329 . 1 1 124 124 ARG H H 1 8.73287 0.005 . . . . . . . 124 ARG HN . 25628 1 330 . 1 1 124 124 ARG C C 13 177.849 0.03 . . . . . . . 124 ARG C . 25628 1 331 . 1 1 124 124 ARG CA C 13 53.082 0.03 . . . . . . . 124 ARG CA . 25628 1 332 . 1 1 124 124 ARG N N 15 126.049 0.02 . . . . . . . 124 ARG N . 25628 1 333 . 1 1 125 125 VAL H H 1 9.18084 0.005 . . . . . . . 125 VAL HN . 25628 1 334 . 1 1 125 125 VAL C C 13 174.666 0.03 . . . . . . . 125 VAL C . 25628 1 335 . 1 1 125 125 VAL CA C 13 59.313 0.03 . . . . . . . 125 VAL CA . 25628 1 336 . 1 1 125 125 VAL N N 15 118.61 0.02 . . . . . . . 125 VAL N . 25628 1 337 . 1 1 126 126 HIS H H 1 9.07621 0.005 . . . . . . . 126 HIS HN . 25628 1 338 . 1 1 126 126 HIS C C 13 174.795 0.03 . . . . . . . 126 HIS C . 25628 1 339 . 1 1 126 126 HIS CA C 13 55.254 0.03 . . . . . . . 126 HIS CA . 25628 1 340 . 1 1 126 126 HIS N N 15 127.331 0.02 . . . . . . . 126 HIS N . 25628 1 341 . 1 1 127 127 ALA H H 1 8.93835 0.005 . . . . . . . 127 ALA HN . 25628 1 342 . 1 1 127 127 ALA C C 13 174.039 0.03 . . . . . . . 127 ALA C . 25628 1 343 . 1 1 127 127 ALA CA C 13 56.384 0.03 . . . . . . . 127 ALA CA . 25628 1 344 . 1 1 127 127 ALA N N 15 130.139 0.02 . . . . . . . 127 ALA N . 25628 1 345 . 1 1 128 128 PRO CA C 13 65.899 0.03 . . . . . . . 128 PRO CA . 25628 1 346 . 1 1 129 129 SER H H 1 6.65412 0.005 . . . . . . . 129 SER HN . 25628 1 347 . 1 1 129 129 SER C C 13 177.328 0.03 . . . . . . . 129 SER C . 25628 1 348 . 1 1 129 129 SER CA C 13 58.918 0.03 . . . . . . . 129 SER CA . 25628 1 349 . 1 1 129 129 SER N N 15 107.89 0.02 . . . . . . . 129 SER N . 25628 1 350 . 1 1 130 130 GLY H H 1 8.47887 0.005 . . . . . . . 130 GLY HN . 25628 1 351 . 1 1 130 130 GLY C C 13 176.822 0.03 . . . . . . . 130 GLY C . 25628 1 352 . 1 1 130 130 GLY CA C 13 45.334 0.03 . . . . . . . 130 GLY CA . 25628 1 353 . 1 1 130 130 GLY N N 15 113.609 0.02 . . . . . . . 130 GLY N . 25628 1 354 . 1 1 131 131 ARG H H 1 8.33765 0.005 . . . . . . . 131 ARG HN . 25628 1 355 . 1 1 131 131 ARG C C 13 174.411 0.03 . . . . . . . 131 ARG C . 25628 1 356 . 1 1 131 131 ARG CA C 13 59.321 0.03 . . . . . . . 131 ARG CA . 25628 1 357 . 1 1 131 131 ARG N N 15 122.642 0.02 . . . . . . . 131 ARG N . 25628 1 358 . 1 1 132 132 VAL H H 1 7.80091 0.005 . . . . . . . 132 VAL HN . 25628 1 359 . 1 1 132 132 VAL C C 13 175.058 0.03 . . . . . . . 132 VAL C . 25628 1 360 . 1 1 132 132 VAL CA C 13 61.181 0.03 . . . . . . . 132 VAL CA . 25628 1 361 . 1 1 132 132 VAL N N 15 120.518 0.02 . . . . . . . 132 VAL N . 25628 1 362 . 1 1 133 133 TYR H H 1 9.12314 0.005 . . . . . . . 133 TYR HN . 25628 1 363 . 1 1 133 133 TYR C C 13 177.943 0.03 . . . . . . . 133 TYR C . 25628 1 364 . 1 1 133 133 TYR CA C 13 56.007 0.03 . . . . . . . 133 TYR CA . 25628 1 365 . 1 1 133 133 TYR N N 15 125.242 0.02 . . . . . . . 133 TYR N . 25628 1 366 . 1 1 134 134 HIS H H 1 8.27486 0.005 . . . . . . . 134 HIS HN . 25628 1 367 . 1 1 134 134 HIS C C 13 174.468 0.03 . . . . . . . 134 HIS C . 25628 1 368 . 1 1 134 134 HIS CA C 13 57.187 0.03 . . . . . . . 134 HIS CA . 25628 1 369 . 1 1 134 134 HIS N N 15 121.341 0.02 . . . . . . . 134 HIS N . 25628 1 370 . 1 1 135 135 VAL H H 1 8.0437 0.005 . . . . . . . 135 VAL HN . 25628 1 371 . 1 1 135 135 VAL C C 13 177.407 0.03 . . . . . . . 135 VAL C . 25628 1 372 . 1 1 135 135 VAL CA C 13 65.83 0.03 . . . . . . . 135 VAL CA . 25628 1 373 . 1 1 135 135 VAL N N 15 121.369 0.02 . . . . . . . 135 VAL N . 25628 1 374 . 1 1 136 136 LYS H H 1 9.43425 0.005 . . . . . . . 136 LYS HN . 25628 1 375 . 1 1 136 136 LYS C C 13 175.24 0.03 . . . . . . . 136 LYS C . 25628 1 376 . 1 1 136 136 LYS CA C 13 57.46 0.03 . . . . . . . 136 LYS CA . 25628 1 377 . 1 1 136 136 LYS N N 15 120.417 0.02 . . . . . . . 136 LYS N . 25628 1 378 . 1 1 137 137 PHE H H 1 8.0319 0.005 . . . . . . . 137 PHE HN . 25628 1 379 . 1 1 137 137 PHE C C 13 178.164 0.03 . . . . . . . 137 PHE C . 25628 1 380 . 1 1 137 137 PHE CA C 13 58.663 0.03 . . . . . . . 137 PHE CA . 25628 1 381 . 1 1 137 137 PHE N N 15 117.285 0.02 . . . . . . . 137 PHE N . 25628 1 382 . 1 1 138 138 ASN H H 1 8.50366 0.005 . . . . . . . 138 ASN HN . 25628 1 383 . 1 1 138 138 ASN C C 13 176.425 0.03 . . . . . . . 138 ASN C . 25628 1 384 . 1 1 138 138 ASN CA C 13 52.758 0.03 . . . . . . . 138 ASN CA . 25628 1 385 . 1 1 138 138 ASN N N 15 114.764 0.02 . . . . . . . 138 ASN N . 25628 1 386 . 1 1 140 140 PRO CA C 13 62.132 0.03 . . . . . . . 140 PRO CA . 25628 1 387 . 1 1 141 141 LYS H H 1 9.98019 0.005 . . . . . . . 141 LYS HN . 25628 1 388 . 1 1 141 141 LYS C C 13 176.676 0.03 . . . . . . . 141 LYS C . 25628 1 389 . 1 1 141 141 LYS CA C 13 59.313 0.03 . . . . . . . 141 LYS CA . 25628 1 390 . 1 1 141 141 LYS N N 15 124.638 0.02 . . . . . . . 141 LYS N . 25628 1 391 . 1 1 142 142 VAL H H 1 8.70585 0.005 . . . . . . . 142 VAL HN . 25628 1 392 . 1 1 142 142 VAL C C 13 177.373 0.03 . . . . . . . 142 VAL C . 25628 1 393 . 1 1 142 142 VAL CA C 13 61.191 0.03 . . . . . . . 142 VAL CA . 25628 1 394 . 1 1 142 142 VAL N N 15 121.125 0.02 . . . . . . . 142 VAL N . 25628 1 395 . 1 1 143 143 GLU H H 1 8.01814 0.005 . . . . . . . 143 GLU HN . 25628 1 396 . 1 1 143 143 GLU C C 13 174.208 0.03 . . . . . . . 143 GLU C . 25628 1 397 . 1 1 143 143 GLU CA C 13 58.401 0.03 . . . . . . . 143 GLU CA . 25628 1 398 . 1 1 143 143 GLU N N 15 126.039 0.02 . . . . . . . 143 GLU N . 25628 1 399 . 1 1 144 144 GLY H H 1 8.75846 0.005 . . . . . . . 144 GLY HN . 25628 1 400 . 1 1 144 144 GLY C C 13 177.467 0.03 . . . . . . . 144 GLY C . 25628 1 401 . 1 1 144 144 GLY CA C 13 45.633 0.03 . . . . . . . 144 GLY CA . 25628 1 402 . 1 1 144 144 GLY N N 15 112.196 0.02 . . . . . . . 144 GLY N . 25628 1 403 . 1 1 145 145 LYS H H 1 7.85528 0.005 . . . . . . . 145 LYS HN . 25628 1 404 . 1 1 145 145 LYS C C 13 173.725 0.03 . . . . . . . 145 LYS C . 25628 1 405 . 1 1 145 145 LYS CA C 13 53.694 0.03 . . . . . . . 145 LYS CA . 25628 1 406 . 1 1 145 145 LYS N N 15 119.69 0.02 . . . . . . . 145 LYS N . 25628 1 407 . 1 1 146 146 ASP H H 1 8.91277 0.005 . . . . . . . 146 ASP HN . 25628 1 408 . 1 1 146 146 ASP C C 13 175.352 0.03 . . . . . . . 146 ASP C . 25628 1 409 . 1 1 146 146 ASP CA C 13 54.059 0.03 . . . . . . . 146 ASP CA . 25628 1 410 . 1 1 146 146 ASP N N 15 120.414 0.02 . . . . . . . 146 ASP N . 25628 1 411 . 1 1 147 147 ASP H H 1 7.7521 0.005 . . . . . . . 147 ASP HN . 25628 1 412 . 1 1 147 147 ASP C C 13 177.239 0.03 . . . . . . . 147 ASP C . 25628 1 413 . 1 1 147 147 ASP CA C 13 57.341 0.03 . . . . . . . 147 ASP CA . 25628 1 414 . 1 1 147 147 ASP N N 15 127.558 0.02 . . . . . . . 147 ASP N . 25628 1 415 . 1 1 148 148 VAL H H 1 6.20816 0.005 . . . . . . . 148 VAL HN . 25628 1 416 . 1 1 148 148 VAL C C 13 176.509 0.03 . . . . . . . 148 VAL C . 25628 1 417 . 1 1 148 148 VAL CA C 13 65.206 0.03 . . . . . . . 148 VAL CA . 25628 1 418 . 1 1 148 148 VAL N N 15 115.379 0.02 . . . . . . . 148 VAL N . 25628 1 419 . 1 1 149 149 THR H H 1 7.34284 0.005 . . . . . . . 149 THR HN . 25628 1 420 . 1 1 149 149 THR C C 13 177.581 0.03 . . . . . . . 149 THR C . 25628 1 421 . 1 1 149 149 THR CA C 13 62.109 0.03 . . . . . . . 149 THR CA . 25628 1 422 . 1 1 149 149 THR N N 15 105.895 0.02 . . . . . . . 149 THR N . 25628 1 423 . 1 1 150 150 GLY H H 1 7.73359 0.005 . . . . . . . 150 GLY HN . 25628 1 424 . 1 1 150 150 GLY C C 13 176.642 0.03 . . . . . . . 150 GLY C . 25628 1 425 . 1 1 150 150 GLY CA C 13 45.911 0.03 . . . . . . . 150 GLY CA . 25628 1 426 . 1 1 150 150 GLY N N 15 111.62 0.02 . . . . . . . 150 GLY N . 25628 1 427 . 1 1 151 151 GLU H H 1 7.53852 0.005 . . . . . . . 151 GLU HN . 25628 1 428 . 1 1 151 151 GLU C C 13 173.492 0.03 . . . . . . . 151 GLU C . 25628 1 429 . 1 1 151 151 GLU CA C 13 55.864 0.03 . . . . . . . 151 GLU CA . 25628 1 430 . 1 1 151 151 GLU N N 15 119.113 0.02 . . . . . . . 151 GLU N . 25628 1 431 . 1 1 152 152 GLU H H 1 8.56479 0.005 . . . . . . . 152 GLU HN . 25628 1 432 . 1 1 152 152 GLU C C 13 176.006 0.03 . . . . . . . 152 GLU C . 25628 1 433 . 1 1 152 152 GLU CA C 13 57.607 0.03 . . . . . . . 152 GLU CA . 25628 1 434 . 1 1 152 152 GLU N N 15 120.061 0.02 . . . . . . . 152 GLU N . 25628 1 435 . 1 1 153 153 LEU H H 1 7.78919 0.005 . . . . . . . 153 LEU HN . 25628 1 436 . 1 1 153 153 LEU C C 13 176.94 0.03 . . . . . . . 153 LEU C . 25628 1 437 . 1 1 153 153 LEU CA C 13 53.228 0.03 . . . . . . . 153 LEU CA . 25628 1 438 . 1 1 153 153 LEU N N 15 121.453 0.02 . . . . . . . 153 LEU N . 25628 1 439 . 1 1 154 154 THR H H 1 9.19467 0.005 . . . . . . . 154 THR HN . 25628 1 440 . 1 1 154 154 THR C C 13 176.904 0.03 . . . . . . . 154 THR C . 25628 1 441 . 1 1 154 154 THR CA C 13 60.177 0.03 . . . . . . . 154 THR CA . 25628 1 442 . 1 1 154 154 THR N N 15 114.905 0.02 . . . . . . . 154 THR N . 25628 1 443 . 1 1 155 155 THR H H 1 8.26134 0.005 . . . . . . . 155 THR HN . 25628 1 444 . 1 1 155 155 THR C C 13 173.415 0.03 . . . . . . . 155 THR C . 25628 1 445 . 1 1 155 155 THR CA C 13 60.785 0.03 . . . . . . . 155 THR CA . 25628 1 446 . 1 1 155 155 THR N N 15 116.536 0.02 . . . . . . . 155 THR N . 25628 1 447 . 1 1 156 156 ARG H H 1 9.67467 0.005 . . . . . . . 156 ARG HN . 25628 1 448 . 1 1 156 156 ARG C C 13 175.122 0.03 . . . . . . . 156 ARG C . 25628 1 449 . 1 1 156 156 ARG CA C 13 56.267 0.03 . . . . . . . 156 ARG CA . 25628 1 450 . 1 1 156 156 ARG N N 15 128.149 0.02 . . . . . . . 156 ARG N . 25628 1 451 . 1 1 157 157 LYS H H 1 8.86014 0.005 . . . . . . . 157 LYS HN . 25628 1 452 . 1 1 157 157 LYS C C 13 178.41 0.03 . . . . . . . 157 LYS C . 25628 1 453 . 1 1 157 157 LYS CA C 13 59.454 0.03 . . . . . . . 157 LYS CA . 25628 1 454 . 1 1 157 157 LYS N N 15 125.482 0.02 . . . . . . . 157 LYS N . 25628 1 455 . 1 1 158 158 ASP CA C 13 55.216 0.03 . . . . . . . 158 ASP CA . 25628 1 456 . 1 1 159 159 ASP H H 1 7.21353 0.005 . . . . . . . 159 ASP HN . 25628 1 457 . 1 1 159 159 ASP C C 13 175.329 0.03 . . . . . . . 159 ASP C . 25628 1 458 . 1 1 159 159 ASP CA C 13 53.336 0.03 . . . . . . . 159 ASP CA . 25628 1 459 . 1 1 159 159 ASP N N 15 116.446 0.02 . . . . . . . 159 ASP N . 25628 1 460 . 1 1 160 160 GLN H H 1 6.99914 0.005 . . . . . . . 160 GLN HN . 25628 1 461 . 1 1 160 160 GLN C C 13 175.147 0.03 . . . . . . . 160 GLN C . 25628 1 462 . 1 1 160 160 GLN CA C 13 56.006 0.03 . . . . . . . 160 GLN CA . 25628 1 463 . 1 1 160 160 GLN N N 15 117.693 0.02 . . . . . . . 160 GLN N . 25628 1 464 . 1 1 161 161 GLU H H 1 9.11717 0.005 . . . . . . . 161 GLU HN . 25628 1 465 . 1 1 161 161 GLU C C 13 174.999 0.03 . . . . . . . 161 GLU C . 25628 1 466 . 1 1 161 161 GLU CA C 13 61.182 0.03 . . . . . . . 161 GLU CA . 25628 1 467 . 1 1 161 161 GLU N N 15 124.947 0.02 . . . . . . . 161 GLU N . 25628 1 468 . 1 1 162 162 GLU H H 1 9.09005 0.005 . . . . . . . 162 GLU HN . 25628 1 469 . 1 1 162 162 GLU C C 13 177.111 0.03 . . . . . . . 162 GLU C . 25628 1 470 . 1 1 162 162 GLU CA C 13 59.748 0.03 . . . . . . . 162 GLU CA . 25628 1 471 . 1 1 162 162 GLU N N 15 116.668 0.02 . . . . . . . 162 GLU N . 25628 1 472 . 1 1 163 163 CYS H H 1 7.18092 0.005 . . . . . . . 163 CYS HN . 25628 1 473 . 1 1 163 163 CYS C C 13 178.756 0.03 . . . . . . . 163 CYS C . 25628 1 474 . 1 1 163 163 CYS CA C 13 56.924 0.03 . . . . . . . 163 CYS CA . 25628 1 475 . 1 1 163 163 CYS N N 15 118.464 0.02 . . . . . . . 163 CYS N . 25628 1 476 . 1 1 164 164 VAL H H 1 8.01985 0.005 . . . . . . . 164 VAL HN . 25628 1 477 . 1 1 164 164 VAL C C 13 176.163 0.03 . . . . . . . 164 VAL C . 25628 1 478 . 1 1 164 164 VAL CA C 13 66.362 0.03 . . . . . . . 164 VAL CA . 25628 1 479 . 1 1 164 164 VAL N N 15 120.283 0.02 . . . . . . . 164 VAL N . 25628 1 480 . 1 1 165 165 ARG H H 1 8.61794 0.005 . . . . . . . 165 ARG HN . 25628 1 481 . 1 1 165 165 ARG C C 13 178.624 0.03 . . . . . . . 165 ARG C . 25628 1 482 . 1 1 165 165 ARG CA C 13 60.746 0.03 . . . . . . . 165 ARG CA . 25628 1 483 . 1 1 165 165 ARG N N 15 116.665 0.02 . . . . . . . 165 ARG N . 25628 1 484 . 1 1 166 166 LYS H H 1 7.55268 0.005 . . . . . . . 166 LYS HN . 25628 1 485 . 1 1 166 166 LYS C C 13 179.103 0.03 . . . . . . . 166 LYS C . 25628 1 486 . 1 1 166 166 LYS CA C 13 60.108 0.03 . . . . . . . 166 LYS CA . 25628 1 487 . 1 1 166 166 LYS N N 15 121.159 0.02 . . . . . . . 166 LYS N . 25628 1 488 . 1 1 167 167 ARG CA C 13 55.619 0.03 . . . . . . . 167 ARG CA . 25628 1 489 . 1 1 175 175 THR H H 1 7.956 0.005 . . . . . . . 175 THR HN . 25628 1 490 . 1 1 175 175 THR C C 13 177.752 0.03 . . . . . . . 175 THR C . 25628 1 491 . 1 1 175 175 THR CA C 13 62.223 0.03 . . . . . . . 175 THR CA . 25628 1 492 . 1 1 175 175 THR N N 15 114.05 0.02 . . . . . . . 175 THR N . 25628 1 493 . 1 1 176 176 ALA H H 1 8.25136 0.005 . . . . . . . 176 ALA HN . 25628 1 494 . 1 1 176 176 ALA C C 13 175.566 0.03 . . . . . . . 176 ALA C . 25628 1 495 . 1 1 176 176 ALA CA C 13 56.065 0.03 . . . . . . . 176 ALA CA . 25628 1 496 . 1 1 176 176 ALA N N 15 125.713 0.02 . . . . . . . 176 ALA N . 25628 1 497 . 1 1 177 177 PRO CA C 13 65.298 0.03 . . . . . . . 177 PRO CA . 25628 1 498 . 1 1 178 178 LEU H H 1 7.024 0.005 . . . . . . . 178 LEU HN . 25628 1 499 . 1 1 178 178 LEU C C 13 179.334 0.03 . . . . . . . 178 LEU C . 25628 1 500 . 1 1 178 178 LEU CA C 13 57.253 0.03 . . . . . . . 178 LEU CA . 25628 1 501 . 1 1 178 178 LEU N N 15 119.284 0.02 . . . . . . . 178 LEU N . 25628 1 502 . 1 1 179 179 ILE H H 1 8.34899 0.005 . . . . . . . 179 ILE HN . 25628 1 503 . 1 1 179 179 ILE C C 13 178.051 0.03 . . . . . . . 179 ILE C . 25628 1 504 . 1 1 179 179 ILE CA C 13 64.508 0.03 . . . . . . . 179 ILE CA . 25628 1 505 . 1 1 179 179 ILE N N 15 121.579 0.02 . . . . . . . 179 ILE N . 25628 1 506 . 1 1 180 180 GLY H H 1 7.648 0.005 . . . . . . . 180 GLY HN . 25628 1 507 . 1 1 180 180 GLY C C 13 179.721 0.03 . . . . . . . 180 GLY C . 25628 1 508 . 1 1 180 180 GLY CA C 13 47.371 0.03 . . . . . . . 180 GLY CA . 25628 1 509 . 1 1 180 180 GLY N N 15 108.555 0.02 . . . . . . . 180 GLY N . 25628 1 510 . 1 1 181 181 TYR H H 1 7.763 0.005 . . . . . . . 181 TYR HN . 25628 1 511 . 1 1 181 181 TYR C C 13 175.827 0.03 . . . . . . . 181 TYR C . 25628 1 512 . 1 1 181 181 TYR CA C 13 61.318 0.03 . . . . . . . 181 TYR CA . 25628 1 513 . 1 1 181 181 TYR N N 15 124.286 0.02 . . . . . . . 181 TYR N . 25628 1 514 . 1 1 182 182 TYR H H 1 8.7716 0.005 . . . . . . . 182 TYR HN . 25628 1 515 . 1 1 182 182 TYR C C 13 178.361 0.03 . . . . . . . 182 TYR C . 25628 1 516 . 1 1 182 182 TYR CA C 13 62.756 0.03 . . . . . . . 182 TYR CA . 25628 1 517 . 1 1 182 182 TYR N N 15 119.246 0.02 . . . . . . . 182 TYR N . 25628 1 518 . 1 1 183 183 SER H H 1 8.364 0.005 . . . . . . . 183 SER HN . 25628 1 519 . 1 1 183 183 SER C C 13 178.171 0.03 . . . . . . . 183 SER C . 25628 1 520 . 1 1 183 183 SER CA C 13 62.263 0.03 . . . . . . . 183 SER CA . 25628 1 521 . 1 1 183 183 SER N N 15 117.861 0.02 . . . . . . . 183 SER N . 25628 1 522 . 1 1 184 184 LYS H H 1 7.39469 0.005 . . . . . . . 184 LYS HN . 25628 1 523 . 1 1 184 184 LYS C C 13 177.134 0.03 . . . . . . . 184 LYS C . 25628 1 524 . 1 1 184 184 LYS CA C 13 59.06 0.03 . . . . . . . 184 LYS CA . 25628 1 525 . 1 1 184 184 LYS N N 15 123.916 0.02 . . . . . . . 184 LYS N . 25628 1 526 . 1 1 185 185 GLU H H 1 7.78893 0.005 . . . . . . . 185 GLU HN . 25628 1 527 . 1 1 185 185 GLU C C 13 180.048 0.03 . . . . . . . 185 GLU C . 25628 1 528 . 1 1 185 185 GLU CA C 13 58.676 0.03 . . . . . . . 185 GLU CA . 25628 1 529 . 1 1 185 185 GLU N N 15 121.11 0.02 . . . . . . . 185 GLU N . 25628 1 530 . 1 1 186 186 ALA H H 1 8.262 0.005 . . . . . . . 186 ALA HN . 25628 1 531 . 1 1 186 186 ALA C C 13 178.852 0.03 . . . . . . . 186 ALA C . 25628 1 532 . 1 1 186 186 ALA CA C 13 54.307 0.03 . . . . . . . 186 ALA CA . 25628 1 533 . 1 1 186 186 ALA N N 15 123.28 0.02 . . . . . . . 186 ALA N . 25628 1 534 . 1 1 187 187 GLU H H 1 7.904 0.005 . . . . . . . 187 GLU HN . 25628 1 535 . 1 1 187 187 GLU C C 13 181.873 0.03 . . . . . . . 187 GLU C . 25628 1 536 . 1 1 187 187 GLU CA C 13 58.87 0.03 . . . . . . . 187 GLU CA . 25628 1 537 . 1 1 187 187 GLU N N 15 122.537 0.02 . . . . . . . 187 GLU N . 25628 1 538 . 1 1 188 188 ALA H H 1 7.372 0.005 . . . . . . . 188 ALA HN . 25628 1 539 . 1 1 188 188 ALA C C 13 178.062 0.03 . . . . . . . 188 ALA C . 25628 1 540 . 1 1 188 188 ALA CA C 13 52.416 0.03 . . . . . . . 188 ALA CA . 25628 1 541 . 1 1 188 188 ALA N N 15 119.153 0.02 . . . . . . . 188 ALA N . 25628 1 542 . 1 1 189 189 GLY H H 1 7.701 0.005 . . . . . . . 189 GLY HN . 25628 1 543 . 1 1 189 189 GLY C C 13 177.631 0.03 . . . . . . . 189 GLY C . 25628 1 544 . 1 1 189 189 GLY CA C 13 45.106 0.03 . . . . . . . 189 GLY CA . 25628 1 545 . 1 1 189 189 GLY N N 15 105.754 0.02 . . . . . . . 189 GLY N . 25628 1 546 . 1 1 190 190 ASN H H 1 8.04471 0.005 . . . . . . . 190 ASN HN . 25628 1 547 . 1 1 190 190 ASN C C 13 174.934 0.03 . . . . . . . 190 ASN C . 25628 1 548 . 1 1 190 190 ASN CA C 13 54.064 0.03 . . . . . . . 190 ASN CA . 25628 1 549 . 1 1 190 190 ASN N N 15 117.598 0.02 . . . . . . . 190 ASN N . 25628 1 550 . 1 1 191 191 THR H H 1 7.39597 0.005 . . . . . . . 191 THR HN . 25628 1 551 . 1 1 191 191 THR C C 13 174.548 0.03 . . . . . . . 191 THR C . 25628 1 552 . 1 1 191 191 THR CA C 13 60.988 0.03 . . . . . . . 191 THR CA . 25628 1 553 . 1 1 191 191 THR N N 15 113.488 0.02 . . . . . . . 191 THR N . 25628 1 554 . 1 1 192 192 LYS H H 1 7.68863 0.005 . . . . . . . 192 LYS HN . 25628 1 555 . 1 1 192 192 LYS C C 13 171.543 0.03 . . . . . . . 192 LYS C . 25628 1 556 . 1 1 192 192 LYS CA C 13 55.846 0.03 . . . . . . . 192 LYS CA . 25628 1 557 . 1 1 192 192 LYS N N 15 122.99 0.02 . . . . . . . 192 LYS N . 25628 1 558 . 1 1 193 193 TYR H H 1 8.23536 0.005 . . . . . . . 193 TYR HN . 25628 1 559 . 1 1 193 193 TYR C C 13 173.792 0.03 . . . . . . . 193 TYR C . 25628 1 560 . 1 1 193 193 TYR CA C 13 55.723 0.03 . . . . . . . 193 TYR CA . 25628 1 561 . 1 1 193 193 TYR N N 15 124.28 0.02 . . . . . . . 193 TYR N . 25628 1 562 . 1 1 194 194 ALA H H 1 8.1388 0.005 . . . . . . . 194 ALA HN . 25628 1 563 . 1 1 194 194 ALA C C 13 174.686 0.03 . . . . . . . 194 ALA C . 25628 1 564 . 1 1 194 194 ALA CA C 13 51.608 0.03 . . . . . . . 194 ALA CA . 25628 1 565 . 1 1 194 194 ALA N N 15 130.572 0.02 . . . . . . . 194 ALA N . 25628 1 566 . 1 1 195 195 LYS H H 1 8.15876 0.005 . . . . . . . 195 LYS HN . 25628 1 567 . 1 1 195 195 LYS C C 13 173.246 0.03 . . . . . . . 195 LYS C . 25628 1 568 . 1 1 195 195 LYS CA C 13 54.937 0.03 . . . . . . . 195 LYS CA . 25628 1 569 . 1 1 195 195 LYS N N 15 122.608 0.02 . . . . . . . 195 LYS N . 25628 1 570 . 1 1 196 196 VAL H H 1 8.93678 0.005 . . . . . . . 196 VAL HN . 25628 1 571 . 1 1 196 196 VAL C C 13 175.761 0.03 . . . . . . . 196 VAL C . 25628 1 572 . 1 1 196 196 VAL CA C 13 59.887 0.03 . . . . . . . 196 VAL CA . 25628 1 573 . 1 1 196 196 VAL N N 15 125.084 0.02 . . . . . . . 196 VAL N . 25628 1 574 . 1 1 197 197 ASP H H 1 8.57815 0.005 . . . . . . . 197 ASP HN . 25628 1 575 . 1 1 197 197 ASP C C 13 173.602 0.03 . . . . . . . 197 ASP C . 25628 1 576 . 1 1 197 197 ASP CA C 13 52.952 0.03 . . . . . . . 197 ASP CA . 25628 1 577 . 1 1 197 197 ASP N N 15 124.96 0.02 . . . . . . . 197 ASP N . 25628 1 578 . 1 1 198 198 GLY H H 1 8.32149 0.005 . . . . . . . 198 GLY HN . 25628 1 579 . 1 1 198 198 GLY C C 13 175.958 0.03 . . . . . . . 198 GLY C . 25628 1 580 . 1 1 198 198 GLY CA C 13 46.114 0.03 . . . . . . . 198 GLY CA . 25628 1 581 . 1 1 198 198 GLY N N 15 112.315 0.02 . . . . . . . 198 GLY N . 25628 1 582 . 1 1 199 199 THR H H 1 8.59507 0.005 . . . . . . . 199 THR HN . 25628 1 583 . 1 1 199 199 THR C C 13 175.351 0.03 . . . . . . . 199 THR C . 25628 1 584 . 1 1 199 199 THR CA C 13 62.575 0.03 . . . . . . . 199 THR CA . 25628 1 585 . 1 1 199 199 THR N N 15 112.349 0.02 . . . . . . . 199 THR N . 25628 1 586 . 1 1 200 200 LYS H H 1 6.47468 0.005 . . . . . . . 200 LYS HN . 25628 1 587 . 1 1 200 200 LYS C C 13 175.034 0.03 . . . . . . . 200 LYS C . 25628 1 588 . 1 1 200 200 LYS CA C 13 55.469 0.03 . . . . . . . 200 LYS CA . 25628 1 589 . 1 1 200 200 LYS N N 15 122.156 0.02 . . . . . . . 200 LYS N . 25628 1 590 . 1 1 201 201 PRO CA C 13 62.896 0.03 . . . . . . . 201 PRO CA . 25628 1 591 . 1 1 202 202 VAL H H 1 8.34511 0.005 . . . . . . . 202 VAL HN . 25628 1 592 . 1 1 202 202 VAL C C 13 177.828 0.03 . . . . . . . 202 VAL C . 25628 1 593 . 1 1 202 202 VAL CA C 13 66.762 0.03 . . . . . . . 202 VAL CA . 25628 1 594 . 1 1 202 202 VAL N N 15 123.786 0.02 . . . . . . . 202 VAL N . 25628 1 595 . 1 1 203 203 ALA H H 1 8.71375 0.005 . . . . . . . 203 ALA HN . 25628 1 596 . 1 1 203 203 ALA C C 13 177.619 0.03 . . . . . . . 203 ALA C . 25628 1 597 . 1 1 203 203 ALA CA C 13 55.081 0.03 . . . . . . . 203 ALA CA . 25628 1 598 . 1 1 203 203 ALA N N 15 120.154 0.02 . . . . . . . 203 ALA N . 25628 1 599 . 1 1 204 204 GLU H H 1 7.28086 0.005 . . . . . . . 204 GLU HN . 25628 1 600 . 1 1 204 204 GLU C C 13 180.817 0.03 . . . . . . . 204 GLU C . 25628 1 601 . 1 1 204 204 GLU CA C 13 58.514 0.03 . . . . . . . 204 GLU CA . 25628 1 602 . 1 1 204 204 GLU N N 15 118.077 0.02 . . . . . . . 204 GLU N . 25628 1 603 . 1 1 205 205 VAL H H 1 7.725 0.005 . . . . . . . 205 VAL HN . 25628 1 604 . 1 1 205 205 VAL C C 13 178.298 0.03 . . . . . . . 205 VAL C . 25628 1 605 . 1 1 205 205 VAL CA C 13 66.209 0.03 . . . . . . . 205 VAL CA . 25628 1 606 . 1 1 205 205 VAL N N 15 121.482 0.02 . . . . . . . 205 VAL N . 25628 1 607 . 1 1 206 206 ARG H H 1 7.87491 0.005 . . . . . . . 206 ARG HN . 25628 1 608 . 1 1 206 206 ARG C C 13 178.057 0.03 . . . . . . . 206 ARG C . 25628 1 609 . 1 1 206 206 ARG CA C 13 59.924 0.03 . . . . . . . 206 ARG CA . 25628 1 610 . 1 1 206 206 ARG N N 15 118.878 0.02 . . . . . . . 206 ARG N . 25628 1 611 . 1 1 207 207 ALA H H 1 7.12504 0.005 . . . . . . . 207 ALA HN . 25628 1 612 . 1 1 207 207 ALA C C 13 177.804 0.03 . . . . . . . 207 ALA C . 25628 1 613 . 1 1 207 207 ALA CA C 13 54.944 0.03 . . . . . . . 207 ALA CA . 25628 1 614 . 1 1 207 207 ALA N N 15 120.855 0.02 . . . . . . . 207 ALA N . 25628 1 615 . 1 1 208 208 ASP H H 1 8.19672 0.005 . . . . . . . 208 ASP HN . 25628 1 616 . 1 1 208 208 ASP C C 13 180.851 0.03 . . . . . . . 208 ASP C . 25628 1 617 . 1 1 208 208 ASP CA C 13 57.458 0.03 . . . . . . . 208 ASP CA . 25628 1 618 . 1 1 208 208 ASP N N 15 121.584 0.02 . . . . . . . 208 ASP N . 25628 1 619 . 1 1 209 209 LEU H H 1 8.40785 0.005 . . . . . . . 209 LEU HN . 25628 1 620 . 1 1 209 209 LEU C C 13 179.581 0.03 . . . . . . . 209 LEU C . 25628 1 621 . 1 1 209 209 LEU CA C 13 57.999 0.03 . . . . . . . 209 LEU CA . 25628 1 622 . 1 1 209 209 LEU N N 15 121.078 0.02 . . . . . . . 209 LEU N . 25628 1 623 . 1 1 210 210 GLU H H 1 8.3552 0.005 . . . . . . . 210 GLU HN . 25628 1 624 . 1 1 210 210 GLU C C 13 178.594 0.03 . . . . . . . 210 GLU C . 25628 1 625 . 1 1 210 210 GLU CA C 13 59.453 0.03 . . . . . . . 210 GLU CA . 25628 1 626 . 1 1 210 210 GLU N N 15 119.445 0.02 . . . . . . . 210 GLU N . 25628 1 627 . 1 1 211 211 LYS H H 1 7.54248 0.005 . . . . . . . 211 LYS HN . 25628 1 628 . 1 1 211 211 LYS C C 13 179.638 0.03 . . . . . . . 211 LYS C . 25628 1 629 . 1 1 211 211 LYS CA C 13 58.774 0.03 . . . . . . . 211 LYS CA . 25628 1 630 . 1 1 211 211 LYS N N 15 119.466 0.02 . . . . . . . 211 LYS N . 25628 1 631 . 1 1 212 212 ILE H H 1 7.4698 0.005 . . . . . . . 212 ILE HN . 25628 1 632 . 1 1 212 212 ILE C C 13 178.644 0.03 . . . . . . . 212 ILE C . 25628 1 633 . 1 1 212 212 ILE CA C 13 64.228 0.03 . . . . . . . 212 ILE CA . 25628 1 634 . 1 1 212 212 ILE N N 15 119.757 0.02 . . . . . . . 212 ILE N . 25628 1 635 . 1 1 213 213 LEU H H 1 7.99246 0.005 . . . . . . . 213 LEU HN . 25628 1 636 . 1 1 213 213 LEU C C 13 176.993 0.03 . . . . . . . 213 LEU C . 25628 1 637 . 1 1 213 213 LEU CA C 13 55.87 0.03 . . . . . . . 213 LEU CA . 25628 1 638 . 1 1 213 213 LEU N N 15 117.605 0.02 . . . . . . . 213 LEU N . 25628 1 639 . 1 1 214 214 GLY H H 1 7.44317 0.005 . . . . . . . 214 GLY HN . 25628 1 640 . 1 1 214 214 GLY C C 13 177.35 0.03 . . . . . . . 214 GLY C . 25628 1 641 . 1 1 214 214 GLY CA C 13 46.371 0.03 . . . . . . . 214 GLY CA . 25628 1 642 . 1 1 214 214 GLY N N 15 112.552 0.02 . . . . . . . 214 GLY N . 25628 1 stop_ save_