data_25629 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25629 _Entry.Title ; Backbone 1H, 13C and 15N Chemical Shift Assignments for G56C_T163C mutant of Adenylate Kinase at reduced 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 . . . . 25629 2 Magnus Wolf-Watz . . . . 25629 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25629 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 410 25629 '15N chemical shifts' 203 25629 '1H chemical shifts' 203 25629 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' 25629 1 . . 2017-05-19 2015-05-18 original author 'original release' 25629 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25628 ; Backbone 1H, 13C and 15N Chemical Shift Assignments for G56C_T163C mutant of Adenylate Kinase at oxidized condition ; 25629 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25629 _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. . . . 25629 1 2 Christin Grundstrom C. . . . 25629 1 3 'A Elisabeth' Sauer-Eriksson A. E. . . 25629 1 4 Uwe Sauer U. H. . . 25629 1 5 Magnus Wolf-Watz M. . . . 25629 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25629 _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 . . . 25629 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Energy balance in the cell' 25629 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 25629 _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 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . 25629 1 2 2 ARG . 25629 1 3 3 ILE . 25629 1 4 4 ILE . 25629 1 5 5 LEU . 25629 1 6 6 LEU . 25629 1 7 7 GLY . 25629 1 8 8 ALA . 25629 1 9 9 PRO . 25629 1 10 10 GLY . 25629 1 11 11 ALA . 25629 1 12 12 GLY . 25629 1 13 13 LYS . 25629 1 14 14 GLY . 25629 1 15 15 THR . 25629 1 16 16 GLN . 25629 1 17 17 ALA . 25629 1 18 18 GLN . 25629 1 19 19 PHE . 25629 1 20 20 ILE . 25629 1 21 21 MET . 25629 1 22 22 GLU . 25629 1 23 23 LYS . 25629 1 24 24 TYR . 25629 1 25 25 GLY . 25629 1 26 26 ILE . 25629 1 27 27 PRO . 25629 1 28 28 GLN . 25629 1 29 29 ILE . 25629 1 30 30 SER . 25629 1 31 31 THR . 25629 1 32 32 GLY . 25629 1 33 33 ASP . 25629 1 34 34 MET . 25629 1 35 35 LEU . 25629 1 36 36 ARG . 25629 1 37 37 ALA . 25629 1 38 38 ALA . 25629 1 39 39 VAL . 25629 1 40 40 LYS . 25629 1 41 41 SER . 25629 1 42 42 GLY . 25629 1 43 43 SER . 25629 1 44 44 GLU . 25629 1 45 45 LEU . 25629 1 46 46 GLY . 25629 1 47 47 LYS . 25629 1 48 48 GLN . 25629 1 49 49 ALA . 25629 1 50 50 LYS . 25629 1 51 51 ASP . 25629 1 52 52 ILE . 25629 1 53 53 MET . 25629 1 54 54 ASP . 25629 1 55 55 ALA . 25629 1 56 56 CYS . 25629 1 57 57 LYS . 25629 1 58 58 LEU . 25629 1 59 59 VAL . 25629 1 60 60 THR . 25629 1 61 61 ASP . 25629 1 62 62 GLU . 25629 1 63 63 LEU . 25629 1 64 64 VAL . 25629 1 65 65 ILE . 25629 1 66 66 ALA . 25629 1 67 67 LEU . 25629 1 68 68 VAL . 25629 1 69 69 LYS . 25629 1 70 70 GLU . 25629 1 71 71 ARG . 25629 1 72 72 ILE . 25629 1 73 73 ALA . 25629 1 74 74 GLN . 25629 1 75 75 GLU . 25629 1 76 76 ASP . 25629 1 77 77 CYS . 25629 1 78 78 ARG . 25629 1 79 79 ASN . 25629 1 80 80 GLY . 25629 1 81 81 PHE . 25629 1 82 82 LEU . 25629 1 83 83 LEU . 25629 1 84 84 ASP . 25629 1 85 85 GLY . 25629 1 86 86 PHE . 25629 1 87 87 PRO . 25629 1 88 88 ARG . 25629 1 89 89 THR . 25629 1 90 90 ILE . 25629 1 91 91 PRO . 25629 1 92 92 GLN . 25629 1 93 93 ALA . 25629 1 94 94 ASP . 25629 1 95 95 ALA . 25629 1 96 96 MET . 25629 1 97 97 LYS . 25629 1 98 98 GLU . 25629 1 99 99 ALA . 25629 1 100 100 GLY . 25629 1 101 101 ILE . 25629 1 102 102 ASN . 25629 1 103 103 VAL . 25629 1 104 104 ASP . 25629 1 105 105 TYR . 25629 1 106 106 VAL . 25629 1 107 107 LEU . 25629 1 108 108 GLU . 25629 1 109 109 PHE . 25629 1 110 110 ASP . 25629 1 111 111 VAL . 25629 1 112 112 PRO . 25629 1 113 113 ASP . 25629 1 114 114 GLU . 25629 1 115 115 LEU . 25629 1 116 116 ILE . 25629 1 117 117 VAL . 25629 1 118 118 ASP . 25629 1 119 119 ARG . 25629 1 120 120 ILE . 25629 1 121 121 VAL . 25629 1 122 122 GLY . 25629 1 123 123 ARG . 25629 1 124 124 ARG . 25629 1 125 125 VAL . 25629 1 126 126 HIS . 25629 1 127 127 ALA . 25629 1 128 128 PRO . 25629 1 129 129 SER . 25629 1 130 130 GLY . 25629 1 131 131 ARG . 25629 1 132 132 VAL . 25629 1 133 133 TYR . 25629 1 134 134 HIS . 25629 1 135 135 VAL . 25629 1 136 136 LYS . 25629 1 137 137 PHE . 25629 1 138 138 ASN . 25629 1 139 139 PRO . 25629 1 140 140 PRO . 25629 1 141 141 LYS . 25629 1 142 142 VAL . 25629 1 143 143 GLU . 25629 1 144 144 GLY . 25629 1 145 145 LYS . 25629 1 146 146 ASP . 25629 1 147 147 ASP . 25629 1 148 148 VAL . 25629 1 149 149 THR . 25629 1 150 150 GLY . 25629 1 151 151 GLU . 25629 1 152 152 GLU . 25629 1 153 153 LEU . 25629 1 154 154 THR . 25629 1 155 155 THR . 25629 1 156 156 ARG . 25629 1 157 157 LYS . 25629 1 158 158 ASP . 25629 1 159 159 ASP . 25629 1 160 160 GLN . 25629 1 161 161 GLU . 25629 1 162 162 GLU . 25629 1 163 163 CYS . 25629 1 164 164 VAL . 25629 1 165 165 ARG . 25629 1 166 166 LYS . 25629 1 167 167 ARG . 25629 1 168 168 LEU . 25629 1 169 169 VAL . 25629 1 170 170 GLU . 25629 1 171 171 TYR . 25629 1 172 172 HIS . 25629 1 173 173 GLN . 25629 1 174 174 MET . 25629 1 175 175 THR . 25629 1 176 176 ALA . 25629 1 177 177 PRO . 25629 1 178 178 LEU . 25629 1 179 179 ILE . 25629 1 180 180 GLY . 25629 1 181 181 TYR . 25629 1 182 182 TYR . 25629 1 183 183 SER . 25629 1 184 184 LYS . 25629 1 185 185 GLU . 25629 1 186 186 ALA . 25629 1 187 187 GLU . 25629 1 188 188 ALA . 25629 1 189 189 GLY . 25629 1 190 190 ASN . 25629 1 191 191 THR . 25629 1 192 192 LYS . 25629 1 193 193 TYR . 25629 1 194 194 ALA . 25629 1 195 195 LYS . 25629 1 196 196 VAL . 25629 1 197 197 ASP . 25629 1 198 198 GLY . 25629 1 199 199 THR . 25629 1 200 200 LYS . 25629 1 201 201 PRO . 25629 1 202 202 VAL . 25629 1 203 203 ALA . 25629 1 204 204 GLU . 25629 1 205 205 VAL . 25629 1 206 206 ARG . 25629 1 207 207 ALA . 25629 1 208 208 ASP . 25629 1 209 209 LEU . 25629 1 210 210 GLU . 25629 1 211 211 LYS . 25629 1 212 212 ILE . 25629 1 213 213 LEU . 25629 1 214 214 GLY . 25629 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 25629 1 . ARG 2 2 25629 1 . ILE 3 3 25629 1 . ILE 4 4 25629 1 . LEU 5 5 25629 1 . LEU 6 6 25629 1 . GLY 7 7 25629 1 . ALA 8 8 25629 1 . PRO 9 9 25629 1 . GLY 10 10 25629 1 . ALA 11 11 25629 1 . GLY 12 12 25629 1 . LYS 13 13 25629 1 . GLY 14 14 25629 1 . THR 15 15 25629 1 . GLN 16 16 25629 1 . ALA 17 17 25629 1 . GLN 18 18 25629 1 . PHE 19 19 25629 1 . ILE 20 20 25629 1 . MET 21 21 25629 1 . GLU 22 22 25629 1 . LYS 23 23 25629 1 . TYR 24 24 25629 1 . GLY 25 25 25629 1 . ILE 26 26 25629 1 . PRO 27 27 25629 1 . GLN 28 28 25629 1 . ILE 29 29 25629 1 . SER 30 30 25629 1 . THR 31 31 25629 1 . GLY 32 32 25629 1 . ASP 33 33 25629 1 . MET 34 34 25629 1 . LEU 35 35 25629 1 . ARG 36 36 25629 1 . ALA 37 37 25629 1 . ALA 38 38 25629 1 . VAL 39 39 25629 1 . LYS 40 40 25629 1 . SER 41 41 25629 1 . GLY 42 42 25629 1 . SER 43 43 25629 1 . GLU 44 44 25629 1 . LEU 45 45 25629 1 . GLY 46 46 25629 1 . LYS 47 47 25629 1 . GLN 48 48 25629 1 . ALA 49 49 25629 1 . LYS 50 50 25629 1 . ASP 51 51 25629 1 . ILE 52 52 25629 1 . MET 53 53 25629 1 . ASP 54 54 25629 1 . ALA 55 55 25629 1 . CYS 56 56 25629 1 . LYS 57 57 25629 1 . LEU 58 58 25629 1 . VAL 59 59 25629 1 . THR 60 60 25629 1 . ASP 61 61 25629 1 . GLU 62 62 25629 1 . LEU 63 63 25629 1 . VAL 64 64 25629 1 . ILE 65 65 25629 1 . ALA 66 66 25629 1 . LEU 67 67 25629 1 . VAL 68 68 25629 1 . LYS 69 69 25629 1 . GLU 70 70 25629 1 . ARG 71 71 25629 1 . ILE 72 72 25629 1 . ALA 73 73 25629 1 . GLN 74 74 25629 1 . GLU 75 75 25629 1 . ASP 76 76 25629 1 . CYS 77 77 25629 1 . ARG 78 78 25629 1 . ASN 79 79 25629 1 . GLY 80 80 25629 1 . PHE 81 81 25629 1 . LEU 82 82 25629 1 . LEU 83 83 25629 1 . ASP 84 84 25629 1 . GLY 85 85 25629 1 . PHE 86 86 25629 1 . PRO 87 87 25629 1 . ARG 88 88 25629 1 . THR 89 89 25629 1 . ILE 90 90 25629 1 . PRO 91 91 25629 1 . GLN 92 92 25629 1 . ALA 93 93 25629 1 . ASP 94 94 25629 1 . ALA 95 95 25629 1 . MET 96 96 25629 1 . LYS 97 97 25629 1 . GLU 98 98 25629 1 . ALA 99 99 25629 1 . GLY 100 100 25629 1 . ILE 101 101 25629 1 . ASN 102 102 25629 1 . VAL 103 103 25629 1 . ASP 104 104 25629 1 . TYR 105 105 25629 1 . VAL 106 106 25629 1 . LEU 107 107 25629 1 . GLU 108 108 25629 1 . PHE 109 109 25629 1 . ASP 110 110 25629 1 . VAL 111 111 25629 1 . PRO 112 112 25629 1 . ASP 113 113 25629 1 . GLU 114 114 25629 1 . LEU 115 115 25629 1 . ILE 116 116 25629 1 . VAL 117 117 25629 1 . ASP 118 118 25629 1 . ARG 119 119 25629 1 . ILE 120 120 25629 1 . VAL 121 121 25629 1 . GLY 122 122 25629 1 . ARG 123 123 25629 1 . ARG 124 124 25629 1 . VAL 125 125 25629 1 . HIS 126 126 25629 1 . ALA 127 127 25629 1 . PRO 128 128 25629 1 . SER 129 129 25629 1 . GLY 130 130 25629 1 . ARG 131 131 25629 1 . VAL 132 132 25629 1 . TYR 133 133 25629 1 . HIS 134 134 25629 1 . VAL 135 135 25629 1 . LYS 136 136 25629 1 . PHE 137 137 25629 1 . ASN 138 138 25629 1 . PRO 139 139 25629 1 . PRO 140 140 25629 1 . LYS 141 141 25629 1 . VAL 142 142 25629 1 . GLU 143 143 25629 1 . GLY 144 144 25629 1 . LYS 145 145 25629 1 . ASP 146 146 25629 1 . ASP 147 147 25629 1 . VAL 148 148 25629 1 . THR 149 149 25629 1 . GLY 150 150 25629 1 . GLU 151 151 25629 1 . GLU 152 152 25629 1 . LEU 153 153 25629 1 . THR 154 154 25629 1 . THR 155 155 25629 1 . ARG 156 156 25629 1 . LYS 157 157 25629 1 . ASP 158 158 25629 1 . ASP 159 159 25629 1 . GLN 160 160 25629 1 . GLU 161 161 25629 1 . GLU 162 162 25629 1 . CYS 163 163 25629 1 . VAL 164 164 25629 1 . ARG 165 165 25629 1 . LYS 166 166 25629 1 . ARG 167 167 25629 1 . LEU 168 168 25629 1 . VAL 169 169 25629 1 . GLU 170 170 25629 1 . TYR 171 171 25629 1 . HIS 172 172 25629 1 . GLN 173 173 25629 1 . MET 174 174 25629 1 . THR 175 175 25629 1 . ALA 176 176 25629 1 . PRO 177 177 25629 1 . LEU 178 178 25629 1 . ILE 179 179 25629 1 . GLY 180 180 25629 1 . TYR 181 181 25629 1 . TYR 182 182 25629 1 . SER 183 183 25629 1 . LYS 184 184 25629 1 . GLU 185 185 25629 1 . ALA 186 186 25629 1 . GLU 187 187 25629 1 . ALA 188 188 25629 1 . GLY 189 189 25629 1 . ASN 190 190 25629 1 . THR 191 191 25629 1 . LYS 192 192 25629 1 . TYR 193 193 25629 1 . ALA 194 194 25629 1 . LYS 195 195 25629 1 . VAL 196 196 25629 1 . ASP 197 197 25629 1 . GLY 198 198 25629 1 . THR 199 199 25629 1 . LYS 200 200 25629 1 . PRO 201 201 25629 1 . VAL 202 202 25629 1 . ALA 203 203 25629 1 . GLU 204 204 25629 1 . VAL 205 205 25629 1 . ARG 206 206 25629 1 . ALA 207 207 25629 1 . ASP 208 208 25629 1 . LEU 209 209 25629 1 . GLU 210 210 25629 1 . LYS 211 211 25629 1 . ILE 212 212 25629 1 . LEU 213 213 25629 1 . GLY 214 214 25629 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 25629 _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 . . . . . . . . . . . . . 25629 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 25629 _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' . . . 25629 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25629 _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 . . . . 25629 1 2 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 25629 1 3 MES 'natural abundance' . . . . . buffer 30 . . mM . . . . 25629 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 25629 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25629 1 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25629 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 25629 _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 . pH 25629 1 pressure 1 . atm 25629 1 temperature 298 . K 25629 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25629 _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' . . 25629 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25629 1 'Johnson, One Moon Scientific' . . 25629 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25629 1 'data analysis' 25629 1 processing 25629 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 25629 _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 25629 _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 . . . 25629 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 25629 _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 . . . . . . . . . . . . . . . . 25629 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25629 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25629 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25629 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 25629 _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 . . . . . 25629 1 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 25629 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 25629 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 25629 _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 25629 1 2 '3D HNCO' 1 $sample_1 isotropic 25629 1 3 '3D HNCA' 1 $sample_1 isotropic 25629 1 4 '3D HN(CO)CA' 1 $sample_1 isotropic 25629 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 . . 25629 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 54.937 0.03 . . . . . . . 1 MET CA . 25629 1 2 . 1 1 2 2 ARG H H 1 9.62689 0.005 . . . . . . . 2 ARG HN . 25629 1 3 . 1 1 2 2 ARG C C 13 170.666 0.03 . . . . . . . 2 ARG C . 25629 1 4 . 1 1 2 2 ARG CA C 13 54.783 0.03 . . . . . . . 2 ARG CA . 25629 1 5 . 1 1 2 2 ARG N N 15 128.725 0.02 . . . . . . . 2 ARG N . 25629 1 6 . 1 1 3 3 ILE H H 1 8.44966 0.005 . . . . . . . 3 ILE HN . 25629 1 7 . 1 1 3 3 ILE C C 13 175.587 0.03 . . . . . . . 3 ILE C . 25629 1 8 . 1 1 3 3 ILE CA C 13 59.244 0.03 . . . . . . . 3 ILE CA . 25629 1 9 . 1 1 3 3 ILE N N 15 125.1 0.02 . . . . . . . 3 ILE N . 25629 1 10 . 1 1 4 4 ILE H H 1 8.49401 0.005 . . . . . . . 4 ILE HN . 25629 1 11 . 1 1 4 4 ILE C C 13 174.737 0.03 . . . . . . . 4 ILE C . 25629 1 12 . 1 1 4 4 ILE CA C 13 61.454 0.03 . . . . . . . 4 ILE CA . 25629 1 13 . 1 1 4 4 ILE N N 15 126.504 0.02 . . . . . . . 4 ILE N . 25629 1 14 . 1 1 5 5 LEU H H 1 7.99438 0.005 . . . . . . . 5 LEU HN . 25629 1 15 . 1 1 5 5 LEU C C 13 173.357 0.03 . . . . . . . 5 LEU C . 25629 1 16 . 1 1 5 5 LEU CA C 13 53.22 0.03 . . . . . . . 5 LEU CA . 25629 1 17 . 1 1 5 5 LEU N N 15 129.312 0.02 . . . . . . . 5 LEU N . 25629 1 18 . 1 1 6 6 LEU H H 1 9.3263 0.005 . . . . . . . 6 LEU HN . 25629 1 19 . 1 1 6 6 LEU C C 13 174.881 0.03 . . . . . . . 6 LEU C . 25629 1 20 . 1 1 6 6 LEU CA C 13 53.226 0.03 . . . . . . . 6 LEU CA . 25629 1 21 . 1 1 6 6 LEU N N 15 129.327 0.02 . . . . . . . 6 LEU N . 25629 1 22 . 1 1 7 7 GLY H H 1 8.00273 0.005 . . . . . . . 7 GLY HN . 25629 1 23 . 1 1 7 7 GLY C C 13 175.765 0.03 . . . . . . . 7 GLY C . 25629 1 24 . 1 1 7 7 GLY CA C 13 46.279 0.03 . . . . . . . 7 GLY CA . 25629 1 25 . 1 1 7 7 GLY N N 15 108.886 0.02 . . . . . . . 7 GLY N . 25629 1 26 . 1 1 8 8 ALA H H 1 9.11319 0.005 . . . . . . . 8 ALA HN . 25629 1 27 . 1 1 8 8 ALA C C 13 170.899 0.03 . . . . . . . 8 ALA C . 25629 1 28 . 1 1 8 8 ALA CA C 13 50.036 0.03 . . . . . . . 8 ALA CA . 25629 1 29 . 1 1 8 8 ALA N N 15 127.204 0.02 . . . . . . . 8 ALA N . 25629 1 30 . 1 1 9 9 PRO CA C 13 63.427 0.03 . . . . . . . 9 PRO CA . 25629 1 31 . 1 1 10 10 GLY H H 1 8.21054 0.005 . . . . . . . 10 GLY HN . 25629 1 32 . 1 1 10 10 GLY C C 13 176.781 0.03 . . . . . . . 10 GLY C . 25629 1 33 . 1 1 10 10 GLY CA C 13 45.392 0.03 . . . . . . . 10 GLY CA . 25629 1 34 . 1 1 10 10 GLY N N 15 112.085 0.02 . . . . . . . 10 GLY N . 25629 1 35 . 1 1 11 11 ALA H H 1 8.05039 0.005 . . . . . . . 11 ALA HN . 25629 1 36 . 1 1 11 11 ALA C C 13 175.13 0.03 . . . . . . . 11 ALA C . 25629 1 37 . 1 1 11 11 ALA CA C 13 53.881 0.03 . . . . . . . 11 ALA CA . 25629 1 38 . 1 1 11 11 ALA N N 15 121.802 0.02 . . . . . . . 11 ALA N . 25629 1 39 . 1 1 12 12 GLY H H 1 8.26266 0.005 . . . . . . . 12 GLY HN . 25629 1 40 . 1 1 12 12 GLY C C 13 177.477 0.03 . . . . . . . 12 GLY C . 25629 1 41 . 1 1 12 12 GLY CA C 13 45.637 0.03 . . . . . . . 12 GLY CA . 25629 1 42 . 1 1 12 12 GLY N N 15 105.28 0.02 . . . . . . . 12 GLY N . 25629 1 43 . 1 1 13 13 LYS H H 1 7.97868 0.005 . . . . . . . 13 LYS HN . 25629 1 44 . 1 1 13 13 LYS C C 13 177.017 0.03 . . . . . . . 13 LYS C . 25629 1 45 . 1 1 13 13 LYS CA C 13 58.141 0.03 . . . . . . . 13 LYS CA . 25629 1 46 . 1 1 13 13 LYS N N 15 121.241 0.02 . . . . . . . 13 LYS N . 25629 1 47 . 1 1 14 14 GLY H H 1 8.598 0.005 . . . . . . . 14 GLY HN . 25629 1 48 . 1 1 14 14 GLY C C 13 176.91 0.03 . . . . . . . 14 GLY C . 25629 1 49 . 1 1 14 14 GLY CA C 13 46.596 0.03 . . . . . . . 14 GLY CA . 25629 1 50 . 1 1 14 14 GLY N N 15 110.661 0.02 . . . . . . . 14 GLY N . 25629 1 51 . 1 1 15 15 THR H H 1 7.34088 0.005 . . . . . . . 15 THR HN . 25629 1 52 . 1 1 15 15 THR C C 13 176.18 0.03 . . . . . . . 15 THR C . 25629 1 53 . 1 1 15 15 THR CA C 13 65.449 0.03 . . . . . . . 15 THR CA . 25629 1 54 . 1 1 15 15 THR N N 15 117.131 0.02 . . . . . . . 15 THR N . 25629 1 55 . 1 1 16 16 GLN H H 1 6.87223 0.005 . . . . . . . 16 GLN HN . 25629 1 56 . 1 1 16 16 GLN C C 13 176.649 0.03 . . . . . . . 16 GLN C . 25629 1 57 . 1 1 16 16 GLN CA C 13 55.41 0.03 . . . . . . . 16 GLN CA . 25629 1 58 . 1 1 16 16 GLN N N 15 118.071 0.02 . . . . . . . 16 GLN N . 25629 1 59 . 1 1 17 17 ALA H H 1 7.92825 0.005 . . . . . . . 17 ALA HN . 25629 1 60 . 1 1 17 17 ALA C C 13 178.036 0.03 . . . . . . . 17 ALA C . 25629 1 61 . 1 1 17 17 ALA CA C 13 55.606 0.03 . . . . . . . 17 ALA CA . 25629 1 62 . 1 1 17 17 ALA N N 15 122.996 0.02 . . . . . . . 17 ALA N . 25629 1 63 . 1 1 18 18 GLN H H 1 7.55059 0.005 . . . . . . . 18 GLN HN . 25629 1 64 . 1 1 18 18 GLN C C 13 178.462 0.03 . . . . . . . 18 GLN C . 25629 1 65 . 1 1 18 18 GLN CA C 13 58.881 0.03 . . . . . . . 18 GLN CA . 25629 1 66 . 1 1 18 18 GLN N N 15 115.374 0.02 . . . . . . . 18 GLN N . 25629 1 67 . 1 1 19 19 PHE H H 1 6.86374 0.005 . . . . . . . 19 PHE HN . 25629 1 68 . 1 1 19 19 PHE C C 13 177.744 0.03 . . . . . . . 19 PHE C . 25629 1 69 . 1 1 19 19 PHE CA C 13 60.103 0.03 . . . . . . . 19 PHE CA . 25629 1 70 . 1 1 19 19 PHE N N 15 119.232 0.02 . . . . . . . 19 PHE N . 25629 1 71 . 1 1 20 20 ILE H H 1 7.82726 0.005 . . . . . . . 20 ILE HN . 25629 1 72 . 1 1 20 20 ILE C C 13 176.765 0.03 . . . . . . . 20 ILE C . 25629 1 73 . 1 1 20 20 ILE CA C 13 65.317 0.03 . . . . . . . 20 ILE CA . 25629 1 74 . 1 1 20 20 ILE N N 15 120.629 0.02 . . . . . . . 20 ILE N . 25629 1 75 . 1 1 21 21 MET H H 1 8.28561 0.005 . . . . . . . 21 MET HN . 25629 1 76 . 1 1 21 21 MET C C 13 177.456 0.03 . . . . . . . 21 MET C . 25629 1 77 . 1 1 21 21 MET CA C 13 59.719 0.03 . . . . . . . 21 MET CA . 25629 1 78 . 1 1 21 21 MET N N 15 118.744 0.02 . . . . . . . 21 MET N . 25629 1 79 . 1 1 22 22 GLU H H 1 7.71355 0.005 . . . . . . . 22 GLU HN . 25629 1 80 . 1 1 22 22 GLU C C 13 179.348 0.03 . . . . . . . 22 GLU C . 25629 1 81 . 1 1 22 22 GLU CA C 13 58.468 0.03 . . . . . . . 22 GLU CA . 25629 1 82 . 1 1 22 22 GLU N N 15 117.827 0.02 . . . . . . . 22 GLU N . 25629 1 83 . 1 1 23 23 LYS H H 1 8.14544 0.005 . . . . . . . 23 LYS HN . 25629 1 84 . 1 1 23 23 LYS C C 13 178.51 0.03 . . . . . . . 23 LYS C . 25629 1 85 . 1 1 23 23 LYS CA C 13 58.526 0.03 . . . . . . . 23 LYS CA . 25629 1 86 . 1 1 23 23 LYS N N 15 120.909 0.02 . . . . . . . 23 LYS N . 25629 1 87 . 1 1 24 24 TYR H H 1 7.5698 0.005 . . . . . . . 24 TYR HN . 25629 1 88 . 1 1 24 24 TYR C C 13 178.163 0.03 . . . . . . . 24 TYR C . 25629 1 89 . 1 1 24 24 TYR CA C 13 58.505 0.03 . . . . . . . 24 TYR CA . 25629 1 90 . 1 1 24 24 TYR N N 15 112.819 0.02 . . . . . . . 24 TYR N . 25629 1 91 . 1 1 25 25 GLY H H 1 7.58163 0.005 . . . . . . . 25 GLY HN . 25629 1 92 . 1 1 25 25 GLY C C 13 176.093 0.03 . . . . . . . 25 GLY C . 25629 1 93 . 1 1 25 25 GLY CA C 13 47.656 0.03 . . . . . . . 25 GLY CA . 25629 1 94 . 1 1 25 25 GLY N N 15 112.093 0.02 . . . . . . . 25 GLY N . 25629 1 95 . 1 1 26 26 ILE H H 1 7.21298 0.005 . . . . . . . 26 ILE HN . 25629 1 96 . 1 1 26 26 ILE C C 13 174.767 0.03 . . . . . . . 26 ILE C . 25629 1 97 . 1 1 26 26 ILE CA C 13 56.941 0.03 . . . . . . . 26 ILE CA . 25629 1 98 . 1 1 26 26 ILE N N 15 111.726 0.02 . . . . . . . 26 ILE N . 25629 1 99 . 1 1 27 27 PRO CA C 13 61.727 0.03 . . . . . . . 27 PRO CA . 25629 1 100 . 1 1 28 28 GLN H H 1 8.16152 0.005 . . . . . . . 28 GLN HN . 25629 1 101 . 1 1 28 28 GLN C C 13 175.044 0.03 . . . . . . . 28 GLN C . 25629 1 102 . 1 1 28 28 GLN CA C 13 54.415 0.03 . . . . . . . 28 GLN CA . 25629 1 103 . 1 1 28 28 GLN N N 15 119.471 0.02 . . . . . . . 28 GLN N . 25629 1 104 . 1 1 29 29 ILE H H 1 9.21495 0.005 . . . . . . . 29 ILE HN . 25629 1 105 . 1 1 29 29 ILE C C 13 175.471 0.03 . . . . . . . 29 ILE C . 25629 1 106 . 1 1 29 29 ILE CA C 13 59.921 0.03 . . . . . . . 29 ILE CA . 25629 1 107 . 1 1 29 29 ILE N N 15 127.572 0.02 . . . . . . . 29 ILE N . 25629 1 108 . 1 1 30 30 SER H H 1 8.18436 0.005 . . . . . . . 30 SER HN . 25629 1 109 . 1 1 30 30 SER C C 13 173.696 0.03 . . . . . . . 30 SER C . 25629 1 110 . 1 1 30 30 SER CA C 13 55.71 0.03 . . . . . . . 30 SER CA . 25629 1 111 . 1 1 30 30 SER N N 15 120.637 0.02 . . . . . . . 30 SER N . 25629 1 112 . 1 1 31 31 THR H H 1 9.15 0.005 . . . . . . . 31 THR HN . 25629 1 113 . 1 1 31 31 THR C C 13 175.737 0.03 . . . . . . . 31 THR C . 25629 1 114 . 1 1 31 31 THR CA C 13 66.629 0.03 . . . . . . . 31 THR CA . 25629 1 115 . 1 1 31 31 THR N N 15 118.689 0.02 . . . . . . . 31 THR N . 25629 1 116 . 1 1 32 32 GLY H H 1 8.58037 0.005 . . . . . . . 32 GLY HN . 25629 1 117 . 1 1 32 32 GLY C C 13 176.812 0.03 . . . . . . . 32 GLY C . 25629 1 118 . 1 1 32 32 GLY CA C 13 47.476 0.03 . . . . . . . 32 GLY CA . 25629 1 119 . 1 1 32 32 GLY N N 15 110.423 0.02 . . . . . . . 32 GLY N . 25629 1 120 . 1 1 33 33 ASP H H 1 7.34331 0.005 . . . . . . . 33 ASP HN . 25629 1 121 . 1 1 33 33 ASP C C 13 176.474 0.03 . . . . . . . 33 ASP C . 25629 1 122 . 1 1 33 33 ASP CA C 13 56.875 0.03 . . . . . . . 33 ASP CA . 25629 1 123 . 1 1 33 33 ASP N N 15 121.691 0.02 . . . . . . . 33 ASP N . 25629 1 124 . 1 1 34 34 MET H H 1 7.97092 0.005 . . . . . . . 34 MET HN . 25629 1 125 . 1 1 34 34 MET C C 13 178.908 0.03 . . . . . . . 34 MET C . 25629 1 126 . 1 1 34 34 MET CA C 13 58.963 0.03 . . . . . . . 34 MET CA . 25629 1 127 . 1 1 34 34 MET N N 15 120.662 0.02 . . . . . . . 34 MET N . 25629 1 128 . 1 1 35 35 LEU H H 1 8.25152 0.005 . . . . . . . 35 LEU HN . 25629 1 129 . 1 1 35 35 LEU C C 13 179.153 0.03 . . . . . . . 35 LEU C . 25629 1 130 . 1 1 35 35 LEU CA C 13 58.394 0.03 . . . . . . . 35 LEU CA . 25629 1 131 . 1 1 35 35 LEU N N 15 121.676 0.02 . . . . . . . 35 LEU N . 25629 1 132 . 1 1 36 36 ARG H H 1 7.55801 0.005 . . . . . . . 36 ARG HN . 25629 1 133 . 1 1 36 36 ARG C C 13 177.932 0.03 . . . . . . . 36 ARG C . 25629 1 134 . 1 1 36 36 ARG CA C 13 59.608 0.03 . . . . . . . 36 ARG CA . 25629 1 135 . 1 1 36 36 ARG N N 15 118.064 0.02 . . . . . . . 36 ARG N . 25629 1 136 . 1 1 37 37 ALA H H 1 7.87098 0.005 . . . . . . . 37 ALA HN . 25629 1 137 . 1 1 37 37 ALA C C 13 178.956 0.03 . . . . . . . 37 ALA C . 25629 1 138 . 1 1 37 37 ALA CA C 13 54.453 0.03 . . . . . . . 37 ALA CA . 25629 1 139 . 1 1 37 37 ALA N N 15 120.729 0.02 . . . . . . . 37 ALA N . 25629 1 140 . 1 1 38 38 ALA H H 1 7.90556 0.005 . . . . . . . 38 ALA HN . 25629 1 141 . 1 1 38 38 ALA C C 13 180.223 0.03 . . . . . . . 38 ALA C . 25629 1 142 . 1 1 38 38 ALA CA C 13 54.828 0.03 . . . . . . . 38 ALA CA . 25629 1 143 . 1 1 38 38 ALA N N 15 122.276 0.02 . . . . . . . 38 ALA N . 25629 1 144 . 1 1 39 39 VAL H H 1 7.85402 0.005 . . . . . . . 39 VAL HN . 25629 1 145 . 1 1 39 39 VAL C C 13 180.663 0.03 . . . . . . . 39 VAL C . 25629 1 146 . 1 1 39 39 VAL CA C 13 65.717 0.03 . . . . . . . 39 VAL CA . 25629 1 147 . 1 1 39 39 VAL N N 15 117.132 0.02 . . . . . . . 39 VAL N . 25629 1 148 . 1 1 40 40 LYS H H 1 7.552 0.005 . . . . . . . 40 LYS HN . 25629 1 149 . 1 1 40 40 LYS C C 13 178.304 0.03 . . . . . . . 40 LYS C . 25629 1 150 . 1 1 40 40 LYS CA C 13 57.765 0.03 . . . . . . . 40 LYS CA . 25629 1 151 . 1 1 40 40 LYS N N 15 119.928 0.02 . . . . . . . 40 LYS N . 25629 1 152 . 1 1 41 41 SER H H 1 7.81381 0.005 . . . . . . . 41 SER HN . 25629 1 153 . 1 1 41 41 SER C C 13 177.714 0.03 . . . . . . . 41 SER C . 25629 1 154 . 1 1 41 41 SER CA C 13 59.832 0.03 . . . . . . . 41 SER CA . 25629 1 155 . 1 1 41 41 SER N N 15 114.435 0.02 . . . . . . . 41 SER N . 25629 1 156 . 1 1 42 42 GLY H H 1 7.84106 0.005 . . . . . . . 42 GLY HN . 25629 1 157 . 1 1 42 42 GLY C C 13 175.723 0.03 . . . . . . . 42 GLY C . 25629 1 158 . 1 1 42 42 GLY CA C 13 46.036 0.03 . . . . . . . 42 GLY CA . 25629 1 159 . 1 1 42 42 GLY N N 15 110.414 0.02 . . . . . . . 42 GLY N . 25629 1 160 . 1 1 43 43 SER H H 1 7.76877 0.005 . . . . . . . 43 SER HN . 25629 1 161 . 1 1 43 43 SER C C 13 174.472 0.03 . . . . . . . 43 SER C . 25629 1 162 . 1 1 43 43 SER CA C 13 57.522 0.03 . . . . . . . 43 SER CA . 25629 1 163 . 1 1 43 43 SER N N 15 115.93 0.02 . . . . . . . 43 SER N . 25629 1 164 . 1 1 44 44 GLU H H 1 8.7956 0.005 . . . . . . . 44 GLU HN . 25629 1 165 . 1 1 44 44 GLU C C 13 174.568 0.03 . . . . . . . 44 GLU C . 25629 1 166 . 1 1 44 44 GLU CA C 13 59.712 0.03 . . . . . . . 44 GLU CA . 25629 1 167 . 1 1 44 44 GLU N N 15 122.979 0.02 . . . . . . . 44 GLU N . 25629 1 168 . 1 1 45 45 LEU H H 1 8.3115 0.005 . . . . . . . 45 LEU HN . 25629 1 169 . 1 1 45 45 LEU C C 13 179.493 0.03 . . . . . . . 45 LEU C . 25629 1 170 . 1 1 45 45 LEU CA C 13 57.268 0.03 . . . . . . . 45 LEU CA . 25629 1 171 . 1 1 45 45 LEU N N 15 120.005 0.02 . . . . . . . 45 LEU N . 25629 1 172 . 1 1 46 46 GLY H H 1 8.02054 0.005 . . . . . . . 46 GLY HN . 25629 1 173 . 1 1 46 46 GLY C C 13 179.006 0.03 . . . . . . . 46 GLY C . 25629 1 174 . 1 1 46 46 GLY CA C 13 47.112 0.03 . . . . . . . 46 GLY CA . 25629 1 175 . 1 1 46 46 GLY N N 15 108.699 0.02 . . . . . . . 46 GLY N . 25629 1 176 . 1 1 47 47 LYS H H 1 8.14497 0.005 . . . . . . . 47 LYS HN . 25629 1 177 . 1 1 47 47 LYS C C 13 175.587 0.03 . . . . . . . 47 LYS C . 25629 1 178 . 1 1 47 47 LYS CA C 13 59.199 0.03 . . . . . . . 47 LYS CA . 25629 1 179 . 1 1 47 47 LYS N N 15 122.512 0.02 . . . . . . . 47 LYS N . 25629 1 180 . 1 1 48 48 GLN H H 1 7.529 0.005 . . . . . . . 48 GLN HN . 25629 1 181 . 1 1 48 48 GLN C C 13 178.876 0.03 . . . . . . . 48 GLN C . 25629 1 182 . 1 1 48 48 GLN CA C 13 58.472 0.03 . . . . . . . 48 GLN CA . 25629 1 183 . 1 1 48 48 GLN N N 15 119.362 0.02 . . . . . . . 48 GLN N . 25629 1 184 . 1 1 49 49 ALA H H 1 8.11123 0.005 . . . . . . . 49 ALA HN . 25629 1 185 . 1 1 49 49 ALA CA C 13 54.795 0.03 . . . . . . . 49 ALA CA . 25629 1 186 . 1 1 49 49 ALA N N 15 120.159 0.02 . . . . . . . 49 ALA N . 25629 1 187 . 1 1 50 50 LYS H H 1 8.294 0.005 . . . . . . . 50 LYS HN . 25629 1 188 . 1 1 50 50 LYS C C 13 178.242 0.03 . . . . . . . 50 LYS C . 25629 1 189 . 1 1 50 50 LYS CA C 13 59.308 0.03 . . . . . . . 50 LYS CA . 25629 1 190 . 1 1 50 50 LYS N N 15 120.202 0.02 . . . . . . . 50 LYS N . 25629 1 191 . 1 1 51 51 ASP H H 1 7.798 0.005 . . . . . . . 51 ASP HN . 25629 1 192 . 1 1 51 51 ASP C C 13 177.587 0.03 . . . . . . . 51 ASP C . 25629 1 193 . 1 1 51 51 ASP CA C 13 57.082 0.03 . . . . . . . 51 ASP CA . 25629 1 194 . 1 1 51 51 ASP N N 15 119.1 0.02 . . . . . . . 51 ASP N . 25629 1 195 . 1 1 52 52 ILE H H 1 7.51333 0.005 . . . . . . . 52 ILE HN . 25629 1 196 . 1 1 52 52 ILE C C 13 179.199 0.03 . . . . . . . 52 ILE C . 25629 1 197 . 1 1 52 52 ILE CA C 13 64.373 0.03 . . . . . . . 52 ILE CA . 25629 1 198 . 1 1 52 52 ILE N N 15 121.224 0.02 . . . . . . . 52 ILE N . 25629 1 199 . 1 1 53 53 MET H H 1 8.27 0.005 . . . . . . . 53 MET HN . 25629 1 200 . 1 1 53 53 MET C C 13 177.834 0.03 . . . . . . . 53 MET C . 25629 1 201 . 1 1 53 53 MET CA C 13 58.914 0.03 . . . . . . . 53 MET CA . 25629 1 202 . 1 1 53 53 MET N N 15 120.172 0.02 . . . . . . . 53 MET N . 25629 1 203 . 1 1 54 54 ASP H H 1 8.905 0.005 . . . . . . . 54 ASP HN . 25629 1 204 . 1 1 54 54 ASP C C 13 180.515 0.03 . . . . . . . 54 ASP C . 25629 1 205 . 1 1 54 54 ASP CA C 13 56.556 0.03 . . . . . . . 54 ASP CA . 25629 1 206 . 1 1 54 54 ASP N N 15 122.12 0.02 . . . . . . . 54 ASP N . 25629 1 207 . 1 1 55 55 ALA H H 1 7.30404 0.005 . . . . . . . 55 ALA HN . 25629 1 208 . 1 1 55 55 ALA C C 13 177.301 0.03 . . . . . . . 55 ALA C . 25629 1 209 . 1 1 55 55 ALA CA C 13 52.023 0.03 . . . . . . . 55 ALA CA . 25629 1 210 . 1 1 55 55 ALA N N 15 120.763 0.02 . . . . . . . 55 ALA N . 25629 1 211 . 1 1 56 56 CYS H H 1 8.06972 0.005 . . . . . . . 56 CYS HN . 25629 1 212 . 1 1 56 56 CYS C C 13 176.639 0.03 . . . . . . . 56 CYS C . 25629 1 213 . 1 1 56 56 CYS CA C 13 59.962 0.03 . . . . . . . 56 CYS CA . 25629 1 214 . 1 1 56 56 CYS N N 15 114.669 0.02 . . . . . . . 56 CYS N . 25629 1 215 . 1 1 57 57 LYS H H 1 7.65117 0.005 . . . . . . . 57 LYS HN . 25629 1 216 . 1 1 57 57 LYS C C 13 174.638 0.03 . . . . . . . 57 LYS C . 25629 1 217 . 1 1 57 57 LYS CA C 13 55.266 0.03 . . . . . . . 57 LYS CA . 25629 1 218 . 1 1 57 57 LYS N N 15 118.998 0.02 . . . . . . . 57 LYS N . 25629 1 219 . 1 1 58 58 LEU H H 1 7.73914 0.005 . . . . . . . 58 LEU HN . 25629 1 220 . 1 1 58 58 LEU C C 13 175.119 0.03 . . . . . . . 58 LEU C . 25629 1 221 . 1 1 58 58 LEU CA C 13 54.474 0.03 . . . . . . . 58 LEU CA . 25629 1 222 . 1 1 58 58 LEU N N 15 120.06 0.02 . . . . . . . 58 LEU N . 25629 1 223 . 1 1 59 59 VAL H H 1 8.10661 0.005 . . . . . . . 59 VAL HN . 25629 1 224 . 1 1 59 59 VAL C C 13 177.043 0.03 . . . . . . . 59 VAL C . 25629 1 225 . 1 1 59 59 VAL CA C 13 63.179 0.03 . . . . . . . 59 VAL CA . 25629 1 226 . 1 1 59 59 VAL N N 15 122.401 0.02 . . . . . . . 59 VAL N . 25629 1 227 . 1 1 60 60 THR H H 1 7.06366 0.005 . . . . . . . 60 THR HN . 25629 1 228 . 1 1 60 60 THR C C 13 175.837 0.03 . . . . . . . 60 THR C . 25629 1 229 . 1 1 60 60 THR CA C 13 60.667 0.03 . . . . . . . 60 THR CA . 25629 1 230 . 1 1 60 60 THR N N 15 117.549 0.02 . . . . . . . 60 THR N . 25629 1 231 . 1 1 61 61 ASP H H 1 8.79512 0.005 . . . . . . . 61 ASP HN . 25629 1 232 . 1 1 61 61 ASP C C 13 175 0.03 . . . . . . . 61 ASP C . 25629 1 233 . 1 1 61 61 ASP CA C 13 57.592 0.03 . . . . . . . 61 ASP CA . 25629 1 234 . 1 1 61 61 ASP N N 15 122.503 0.02 . . . . . . . 61 ASP N . 25629 1 235 . 1 1 62 62 GLU H H 1 8.57912 0.005 . . . . . . . 62 GLU HN . 25629 1 236 . 1 1 62 62 GLU C C 13 177.858 0.03 . . . . . . . 62 GLU C . 25629 1 237 . 1 1 62 62 GLU CA C 13 59.979 0.03 . . . . . . . 62 GLU CA . 25629 1 238 . 1 1 62 62 GLU N N 15 117.713 0.02 . . . . . . . 62 GLU N . 25629 1 239 . 1 1 63 63 LEU H H 1 7.38508 0.005 . . . . . . . 63 LEU HN . 25629 1 240 . 1 1 63 63 LEU C C 13 179.002 0.03 . . . . . . . 63 LEU C . 25629 1 241 . 1 1 63 63 LEU CA C 13 57.648 0.03 . . . . . . . 63 LEU CA . 25629 1 242 . 1 1 63 63 LEU N N 15 122.735 0.02 . . . . . . . 63 LEU N . 25629 1 243 . 1 1 64 64 VAL H H 1 7.78926 0.005 . . . . . . . 64 VAL HN . 25629 1 244 . 1 1 64 64 VAL C C 13 178.184 0.03 . . . . . . . 64 VAL C . 25629 1 245 . 1 1 64 64 VAL CA C 13 67.456 0.03 . . . . . . . 64 VAL CA . 25629 1 246 . 1 1 64 64 VAL N N 15 118.655 0.02 . . . . . . . 64 VAL N . 25629 1 247 . 1 1 65 65 ILE H H 1 8.18505 0.005 . . . . . . . 65 ILE HN . 25629 1 248 . 1 1 65 65 ILE C C 13 177.581 0.03 . . . . . . . 65 ILE C . 25629 1 249 . 1 1 65 65 ILE CA C 13 63.135 0.03 . . . . . . . 65 ILE CA . 25629 1 250 . 1 1 65 65 ILE N N 15 119.322 0.02 . . . . . . . 65 ILE N . 25629 1 251 . 1 1 66 66 ALA H H 1 7.44554 0.005 . . . . . . . 66 ALA HN . 25629 1 252 . 1 1 66 66 ALA C C 13 177.033 0.03 . . . . . . . 66 ALA C . 25629 1 253 . 1 1 66 66 ALA CA C 13 55.32 0.03 . . . . . . . 66 ALA CA . 25629 1 254 . 1 1 66 66 ALA N N 15 122.986 0.02 . . . . . . . 66 ALA N . 25629 1 255 . 1 1 67 67 LEU H H 1 8.16383 0.005 . . . . . . . 67 LEU HN . 25629 1 256 . 1 1 67 67 LEU C C 13 181.128 0.03 . . . . . . . 67 LEU C . 25629 1 257 . 1 1 67 67 LEU CA C 13 57.827 0.03 . . . . . . . 67 LEU CA . 25629 1 258 . 1 1 67 67 LEU N N 15 119.967 0.02 . . . . . . . 67 LEU N . 25629 1 259 . 1 1 68 68 VAL H H 1 8.40041 0.005 . . . . . . . 68 VAL HN . 25629 1 260 . 1 1 68 68 VAL C C 13 179.811 0.03 . . . . . . . 68 VAL C . 25629 1 261 . 1 1 68 68 VAL CA C 13 66.706 0.03 . . . . . . . 68 VAL CA . 25629 1 262 . 1 1 68 68 VAL N N 15 123.408 0.02 . . . . . . . 68 VAL N . 25629 1 263 . 1 1 69 69 LYS H H 1 8.2245 0.005 . . . . . . . 69 LYS HN . 25629 1 264 . 1 1 69 69 LYS C C 13 177.049 0.03 . . . . . . . 69 LYS C . 25629 1 265 . 1 1 69 69 LYS CA C 13 60.139 0.03 . . . . . . . 69 LYS CA . 25629 1 266 . 1 1 69 69 LYS N N 15 119.104 0.02 . . . . . . . 69 LYS N . 25629 1 267 . 1 1 70 70 GLU H H 1 7.356 0.005 . . . . . . . 70 GLU HN . 25629 1 268 . 1 1 70 70 GLU C C 13 178.796 0.03 . . . . . . . 70 GLU C . 25629 1 269 . 1 1 70 70 GLU CA C 13 58.997 0.03 . . . . . . . 70 GLU CA . 25629 1 270 . 1 1 70 70 GLU N N 15 117.594 0.02 . . . . . . . 70 GLU N . 25629 1 271 . 1 1 71 71 ARG H H 1 8.062 0.005 . . . . . . . 71 ARG HN . 25629 1 272 . 1 1 71 71 ARG C C 13 178.686 0.03 . . . . . . . 71 ARG C . 25629 1 273 . 1 1 71 71 ARG CA C 13 57.585 0.03 . . . . . . . 71 ARG CA . 25629 1 274 . 1 1 71 71 ARG N N 15 121.681 0.02 . . . . . . . 71 ARG N . 25629 1 275 . 1 1 72 72 ILE H H 1 8.08437 0.005 . . . . . . . 72 ILE HN . 25629 1 276 . 1 1 72 72 ILE C C 13 179.817 0.03 . . . . . . . 72 ILE C . 25629 1 277 . 1 1 72 72 ILE CA C 13 62.934 0.03 . . . . . . . 72 ILE CA . 25629 1 278 . 1 1 72 72 ILE N N 15 111.071 0.02 . . . . . . . 72 ILE N . 25629 1 279 . 1 1 73 73 ALA H H 1 6.93306 0.005 . . . . . . . 73 ALA HN . 25629 1 280 . 1 1 73 73 ALA C C 13 175.946 0.03 . . . . . . . 73 ALA C . 25629 1 281 . 1 1 73 73 ALA CA C 13 51.777 0.03 . . . . . . . 73 ALA CA . 25629 1 282 . 1 1 73 73 ALA N N 15 122.867 0.02 . . . . . . . 73 ALA N . 25629 1 283 . 1 1 74 74 GLN H H 1 7.13811 0.005 . . . . . . . 74 GLN HN . 25629 1 284 . 1 1 74 74 GLN C C 13 178.286 0.03 . . . . . . . 74 GLN C . 25629 1 285 . 1 1 74 74 GLN CA C 13 55.897 0.03 . . . . . . . 74 GLN CA . 25629 1 286 . 1 1 74 74 GLN N N 15 117.233 0.02 . . . . . . . 74 GLN N . 25629 1 287 . 1 1 75 75 GLU H H 1 8.87789 0.005 . . . . . . . 75 GLU HN . 25629 1 288 . 1 1 75 75 GLU C C 13 178.433 0.03 . . . . . . . 75 GLU C . 25629 1 289 . 1 1 75 75 GLU CA C 13 59.523 0.03 . . . . . . . 75 GLU CA . 25629 1 290 . 1 1 75 75 GLU N N 15 122.75 0.02 . . . . . . . 75 GLU N . 25629 1 291 . 1 1 76 76 ASP H H 1 8.371 0.005 . . . . . . . 76 ASP HN . 25629 1 292 . 1 1 76 76 ASP C C 13 177.736 0.03 . . . . . . . 76 ASP C . 25629 1 293 . 1 1 76 76 ASP CA C 13 55.339 0.03 . . . . . . . 76 ASP CA . 25629 1 294 . 1 1 76 76 ASP N N 15 117.586 0.02 . . . . . . . 76 ASP N . 25629 1 295 . 1 1 77 77 CYS H H 1 7.62146 0.005 . . . . . . . 77 CYS HN . 25629 1 296 . 1 1 77 77 CYS C C 13 177.947 0.03 . . . . . . . 77 CYS C . 25629 1 297 . 1 1 77 77 CYS CA C 13 59.826 0.03 . . . . . . . 77 CYS CA . 25629 1 298 . 1 1 77 77 CYS N N 15 118.628 0.02 . . . . . . . 77 CYS N . 25629 1 299 . 1 1 78 78 ARG H H 1 7.58442 0.005 . . . . . . . 78 ARG HN . 25629 1 300 . 1 1 78 78 ARG C C 13 176.643 0.03 . . . . . . . 78 ARG C . 25629 1 301 . 1 1 78 78 ARG CA C 13 59.74 0.03 . . . . . . . 78 ARG CA . 25629 1 302 . 1 1 78 78 ARG N N 15 123.218 0.02 . . . . . . . 78 ARG N . 25629 1 303 . 1 1 79 79 ASN H H 1 8.84757 0.005 . . . . . . . 79 ASN HN . 25629 1 304 . 1 1 79 79 ASN C C 13 177.59 0.03 . . . . . . . 79 ASN C . 25629 1 305 . 1 1 79 79 ASN CA C 13 52.657 0.03 . . . . . . . 79 ASN CA . 25629 1 306 . 1 1 79 79 ASN N N 15 115.48 0.02 . . . . . . . 79 ASN N . 25629 1 307 . 1 1 80 80 GLY H H 1 7.62178 0.005 . . . . . . . 80 GLY HN . 25629 1 308 . 1 1 80 80 GLY C C 13 173.826 0.03 . . . . . . . 80 GLY C . 25629 1 309 . 1 1 80 80 GLY CA C 13 43.633 0.03 . . . . . . . 80 GLY CA . 25629 1 310 . 1 1 80 80 GLY N N 15 109.619 0.02 . . . . . . . 80 GLY N . 25629 1 311 . 1 1 81 81 PHE H H 1 7.22728 0.005 . . . . . . . 81 PHE HN . 25629 1 312 . 1 1 81 81 PHE C C 13 171.366 0.03 . . . . . . . 81 PHE C . 25629 1 313 . 1 1 81 81 PHE CA C 13 57.077 0.03 . . . . . . . 81 PHE CA . 25629 1 314 . 1 1 81 81 PHE N N 15 108.795 0.02 . . . . . . . 81 PHE N . 25629 1 315 . 1 1 82 82 LEU H H 1 8.74619 0.005 . . . . . . . 82 LEU HN . 25629 1 316 . 1 1 82 82 LEU C C 13 172.183 0.03 . . . . . . . 82 LEU C . 25629 1 317 . 1 1 82 82 LEU CA C 13 53.348 0.03 . . . . . . . 82 LEU CA . 25629 1 318 . 1 1 82 82 LEU N N 15 122.982 0.02 . . . . . . . 82 LEU N . 25629 1 319 . 1 1 83 83 LEU H H 1 9.38201 0.005 . . . . . . . 83 LEU HN . 25629 1 320 . 1 1 83 83 LEU C C 13 175 0.03 . . . . . . . 83 LEU C . 25629 1 321 . 1 1 83 83 LEU CA C 13 54.806 0.03 . . . . . . . 83 LEU CA . 25629 1 322 . 1 1 83 83 LEU N N 15 128.385 0.02 . . . . . . . 83 LEU N . 25629 1 323 . 1 1 84 84 ASP H H 1 8.60307 0.005 . . . . . . . 84 ASP HN . 25629 1 324 . 1 1 84 84 ASP C C 13 175.45 0.03 . . . . . . . 84 ASP C . 25629 1 325 . 1 1 84 84 ASP CA C 13 52.955 0.03 . . . . . . . 84 ASP CA . 25629 1 326 . 1 1 84 84 ASP N N 15 124.605 0.02 . . . . . . . 84 ASP N . 25629 1 327 . 1 1 85 85 GLY H H 1 8.84991 0.005 . . . . . . . 85 GLY HN . 25629 1 328 . 1 1 85 85 GLY C C 13 176.652 0.03 . . . . . . . 85 GLY C . 25629 1 329 . 1 1 85 85 GLY CA C 13 46.325 0.03 . . . . . . . 85 GLY CA . 25629 1 330 . 1 1 85 85 GLY N N 15 113.627 0.02 . . . . . . . 85 GLY N . 25629 1 331 . 1 1 86 86 PHE H H 1 7.25575 0.005 . . . . . . . 86 PHE HN . 25629 1 332 . 1 1 86 86 PHE C C 13 172.461 0.03 . . . . . . . 86 PHE C . 25629 1 333 . 1 1 86 86 PHE CA C 13 55.716 0.03 . . . . . . . 86 PHE CA . 25629 1 334 . 1 1 86 86 PHE N N 15 120.432 0.02 . . . . . . . 86 PHE N . 25629 1 335 . 1 1 87 87 PRO CA C 13 62.011 0.03 . . . . . . . 87 PRO CA . 25629 1 336 . 1 1 88 88 ARG H H 1 8.50591 0.005 . . . . . . . 88 ARG HN . 25629 1 337 . 1 1 88 88 ARG C C 13 174.669 0.03 . . . . . . . 88 ARG C . 25629 1 338 . 1 1 88 88 ARG CA C 13 56.258 0.03 . . . . . . . 88 ARG CA . 25629 1 339 . 1 1 88 88 ARG N N 15 115.114 0.02 . . . . . . . 88 ARG N . 25629 1 340 . 1 1 89 89 THR H H 1 6.99655 0.005 . . . . . . . 89 THR HN . 25629 1 341 . 1 1 89 89 THR C C 13 175.769 0.03 . . . . . . . 89 THR C . 25629 1 342 . 1 1 89 89 THR CA C 13 58.053 0.03 . . . . . . . 89 THR CA . 25629 1 343 . 1 1 89 89 THR N N 15 107.517 0.02 . . . . . . . 89 THR N . 25629 1 344 . 1 1 90 90 ILE H H 1 8.91875 0.005 . . . . . . . 90 ILE HN . 25629 1 345 . 1 1 90 90 ILE C C 13 173.96 0.03 . . . . . . . 90 ILE C . 25629 1 346 . 1 1 90 90 ILE CA C 13 66.092 0.03 . . . . . . . 90 ILE CA . 25629 1 347 . 1 1 90 90 ILE N N 15 122.029 0.02 . . . . . . . 90 ILE N . 25629 1 348 . 1 1 91 91 PRO CA C 13 66.269 0.03 . . . . . . . 91 PRO CA . 25629 1 349 . 1 1 92 92 GLN H H 1 7.16045 0.005 . . . . . . . 92 GLN HN . 25629 1 350 . 1 1 92 92 GLN C C 13 180.748 0.03 . . . . . . . 92 GLN C . 25629 1 351 . 1 1 92 92 GLN CA C 13 59.054 0.03 . . . . . . . 92 GLN CA . 25629 1 352 . 1 1 92 92 GLN N N 15 117.018 0.02 . . . . . . . 92 GLN N . 25629 1 353 . 1 1 93 93 ALA H H 1 7.62702 0.005 . . . . . . . 93 ALA HN . 25629 1 354 . 1 1 93 93 ALA C C 13 177.005 0.03 . . . . . . . 93 ALA C . 25629 1 355 . 1 1 93 93 ALA CA C 13 55.425 0.03 . . . . . . . 93 ALA CA . 25629 1 356 . 1 1 93 93 ALA N N 15 125.345 0.02 . . . . . . . 93 ALA N . 25629 1 357 . 1 1 94 94 ASP H H 1 8.701 0.005 . . . . . . . 94 ASP HN . 25629 1 358 . 1 1 94 94 ASP C C 13 181.332 0.03 . . . . . . . 94 ASP C . 25629 1 359 . 1 1 94 94 ASP CA C 13 56.942 0.03 . . . . . . . 94 ASP CA . 25629 1 360 . 1 1 94 94 ASP N N 15 120.045 0.02 . . . . . . . 94 ASP N . 25629 1 361 . 1 1 95 95 ALA H H 1 7.98375 0.005 . . . . . . . 95 ALA HN . 25629 1 362 . 1 1 95 95 ALA C C 13 178.762 0.03 . . . . . . . 95 ALA C . 25629 1 363 . 1 1 95 95 ALA CA C 13 54.81 0.03 . . . . . . . 95 ALA CA . 25629 1 364 . 1 1 95 95 ALA N N 15 123.552 0.02 . . . . . . . 95 ALA N . 25629 1 365 . 1 1 96 96 MET H H 1 8.122 0.005 . . . . . . . 96 MET HN . 25629 1 366 . 1 1 96 96 MET C C 13 181.465 0.03 . . . . . . . 96 MET C . 25629 1 367 . 1 1 96 96 MET CA C 13 60.27 0.03 . . . . . . . 96 MET CA . 25629 1 368 . 1 1 96 96 MET N N 15 120.288 0.02 . . . . . . . 96 MET N . 25629 1 369 . 1 1 97 97 LYS H H 1 7.46867 0.005 . . . . . . . 97 LYS HN . 25629 1 370 . 1 1 97 97 LYS C C 13 176.988 0.03 . . . . . . . 97 LYS C . 25629 1 371 . 1 1 97 97 LYS CA C 13 59.874 0.03 . . . . . . . 97 LYS CA . 25629 1 372 . 1 1 97 97 LYS N N 15 121.286 0.02 . . . . . . . 97 LYS N . 25629 1 373 . 1 1 98 98 GLU H H 1 8.37929 0.005 . . . . . . . 98 GLU HN . 25629 1 374 . 1 1 98 98 GLU C C 13 181.465 0.03 . . . . . . . 98 GLU C . 25629 1 375 . 1 1 98 98 GLU CA C 13 58.801 0.03 . . . . . . . 98 GLU CA . 25629 1 376 . 1 1 98 98 GLU N N 15 121.807 0.02 . . . . . . . 98 GLU N . 25629 1 377 . 1 1 99 99 ALA H H 1 7.44751 0.005 . . . . . . . 99 ALA HN . 25629 1 378 . 1 1 99 99 ALA C C 13 177.572 0.03 . . . . . . . 99 ALA C . 25629 1 379 . 1 1 99 99 ALA CA C 13 51.875 0.03 . . . . . . . 99 ALA CA . 25629 1 380 . 1 1 99 99 ALA N N 15 119.242 0.02 . . . . . . . 99 ALA N . 25629 1 381 . 1 1 100 100 GLY H H 1 7.75385 0.005 . . . . . . . 100 GLY HN . 25629 1 382 . 1 1 100 100 GLY C C 13 177.314 0.03 . . . . . . . 100 GLY C . 25629 1 383 . 1 1 100 100 GLY CA C 13 45.705 0.03 . . . . . . . 100 GLY CA . 25629 1 384 . 1 1 100 100 GLY N N 15 107.151 0.02 . . . . . . . 100 GLY N . 25629 1 385 . 1 1 101 101 ILE H H 1 7.99635 0.005 . . . . . . . 101 ILE HN . 25629 1 386 . 1 1 101 101 ILE C C 13 174.623 0.03 . . . . . . . 101 ILE C . 25629 1 387 . 1 1 101 101 ILE CA C 13 60.607 0.03 . . . . . . . 101 ILE CA . 25629 1 388 . 1 1 101 101 ILE N N 15 122.612 0.02 . . . . . . . 101 ILE N . 25629 1 389 . 1 1 102 102 ASN H H 1 7.79086 0.005 . . . . . . . 102 ASN HN . 25629 1 390 . 1 1 102 102 ASN C C 13 173.286 0.03 . . . . . . . 102 ASN C . 25629 1 391 . 1 1 102 102 ASN CA C 13 52.804 0.03 . . . . . . . 102 ASN CA . 25629 1 392 . 1 1 102 102 ASN N N 15 124.028 0.02 . . . . . . . 102 ASN N . 25629 1 393 . 1 1 103 103 VAL H H 1 8.28613 0.005 . . . . . . . 103 VAL HN . 25629 1 394 . 1 1 103 103 VAL C C 13 173.743 0.03 . . . . . . . 103 VAL C . 25629 1 395 . 1 1 103 103 VAL CA C 13 60.373 0.03 . . . . . . . 103 VAL CA . 25629 1 396 . 1 1 103 103 VAL N N 15 113.623 0.02 . . . . . . . 103 VAL N . 25629 1 397 . 1 1 104 104 ASP H H 1 8.39874 0.005 . . . . . . . 104 ASP HN . 25629 1 398 . 1 1 104 104 ASP C C 13 175.662 0.03 . . . . . . . 104 ASP C . 25629 1 399 . 1 1 104 104 ASP CA C 13 56.767 0.03 . . . . . . . 104 ASP CA . 25629 1 400 . 1 1 104 104 ASP N N 15 125.201 0.02 . . . . . . . 104 ASP N . 25629 1 401 . 1 1 105 105 TYR H H 1 7.49566 0.005 . . . . . . . 105 TYR HN . 25629 1 402 . 1 1 105 105 TYR C C 13 175.446 0.03 . . . . . . . 105 TYR C . 25629 1 403 . 1 1 105 105 TYR CA C 13 57.059 0.03 . . . . . . . 105 TYR CA . 25629 1 404 . 1 1 105 105 TYR N N 15 114.775 0.02 . . . . . . . 105 TYR N . 25629 1 405 . 1 1 106 106 VAL H H 1 8.87421 0.005 . . . . . . . 106 VAL HN . 25629 1 406 . 1 1 106 106 VAL C C 13 173.826 0.03 . . . . . . . 106 VAL C . 25629 1 407 . 1 1 106 106 VAL CA C 13 61.992 0.03 . . . . . . . 106 VAL CA . 25629 1 408 . 1 1 106 106 VAL N N 15 123.861 0.02 . . . . . . . 106 VAL N . 25629 1 409 . 1 1 107 107 LEU H H 1 8.79313 0.005 . . . . . . . 107 LEU HN . 25629 1 410 . 1 1 107 107 LEU C C 13 173.519 0.03 . . . . . . . 107 LEU C . 25629 1 411 . 1 1 107 107 LEU CA C 13 51.504 0.03 . . . . . . . 107 LEU CA . 25629 1 412 . 1 1 107 107 LEU N N 15 124.937 0.02 . . . . . . . 107 LEU N . 25629 1 413 . 1 1 108 108 GLU H H 1 8.69897 0.005 . . . . . . . 108 GLU HN . 25629 1 414 . 1 1 108 108 GLU C C 13 174.574 0.03 . . . . . . . 108 GLU C . 25629 1 415 . 1 1 108 108 GLU CA C 13 54.113 0.03 . . . . . . . 108 GLU CA . 25629 1 416 . 1 1 108 108 GLU N N 15 125.088 0.02 . . . . . . . 108 GLU N . 25629 1 417 . 1 1 109 109 PHE H H 1 9.1665 0.005 . . . . . . . 109 PHE HN . 25629 1 418 . 1 1 109 109 PHE C C 13 173.602 0.03 . . . . . . . 109 PHE C . 25629 1 419 . 1 1 109 109 PHE CA C 13 57.997 0.03 . . . . . . . 109 PHE CA . 25629 1 420 . 1 1 109 109 PHE N N 15 131.183 0.02 . . . . . . . 109 PHE N . 25629 1 421 . 1 1 110 110 ASP H H 1 8.63111 0.005 . . . . . . . 110 ASP HN . 25629 1 422 . 1 1 110 110 ASP C C 13 172.886 0.03 . . . . . . . 110 ASP C . 25629 1 423 . 1 1 110 110 ASP CA C 13 55.043 0.03 . . . . . . . 110 ASP CA . 25629 1 424 . 1 1 110 110 ASP N N 15 129.208 0.02 . . . . . . . 110 ASP N . 25629 1 425 . 1 1 111 111 VAL H H 1 7.26635 0.005 . . . . . . . 111 VAL HN . 25629 1 426 . 1 1 111 111 VAL C C 13 174.764 0.03 . . . . . . . 111 VAL C . 25629 1 427 . 1 1 111 111 VAL CA C 13 59.334 0.03 . . . . . . . 111 VAL CA . 25629 1 428 . 1 1 111 111 VAL N N 15 126.279 0.02 . . . . . . . 111 VAL N . 25629 1 429 . 1 1 112 112 PRO CA C 13 63.176 0.03 . . . . . . . 112 PRO CA . 25629 1 430 . 1 1 113 113 ASP H H 1 8.78506 0.005 . . . . . . . 113 ASP HN . 25629 1 431 . 1 1 113 113 ASP C C 13 177.283 0.03 . . . . . . . 113 ASP C . 25629 1 432 . 1 1 113 113 ASP CA C 13 57.73 0.03 . . . . . . . 113 ASP CA . 25629 1 433 . 1 1 113 113 ASP N N 15 124.508 0.02 . . . . . . . 113 ASP N . 25629 1 434 . 1 1 114 114 GLU H H 1 8.8873 0.005 . . . . . . . 114 GLU HN . 25629 1 435 . 1 1 114 114 GLU C C 13 177.859 0.03 . . . . . . . 114 GLU C . 25629 1 436 . 1 1 114 114 GLU CA C 13 59.453 0.03 . . . . . . . 114 GLU CA . 25629 1 437 . 1 1 114 114 GLU N N 15 115.026 0.02 . . . . . . . 114 GLU N . 25629 1 438 . 1 1 115 115 LEU H H 1 6.9728 0.005 . . . . . . . 115 LEU HN . 25629 1 439 . 1 1 115 115 LEU C C 13 178.656 0.03 . . . . . . . 115 LEU C . 25629 1 440 . 1 1 115 115 LEU CA C 13 57.319 0.03 . . . . . . . 115 LEU CA . 25629 1 441 . 1 1 115 115 LEU N N 15 119.577 0.02 . . . . . . . 115 LEU N . 25629 1 442 . 1 1 116 116 ILE H H 1 7.27877 0.005 . . . . . . . 116 ILE HN . 25629 1 443 . 1 1 116 116 ILE C C 13 178.99 0.03 . . . . . . . 116 ILE C . 25629 1 444 . 1 1 116 116 ILE CA C 13 66.231 0.03 . . . . . . . 116 ILE CA . 25629 1 445 . 1 1 116 116 ILE N N 15 121.322 0.02 . . . . . . . 116 ILE N . 25629 1 446 . 1 1 117 117 VAL H H 1 8.18504 0.005 . . . . . . . 117 VAL HN . 25629 1 447 . 1 1 117 117 VAL C C 13 177.932 0.03 . . . . . . . 117 VAL C . 25629 1 448 . 1 1 117 117 VAL CA C 13 67.557 0.03 . . . . . . . 117 VAL CA . 25629 1 449 . 1 1 117 117 VAL N N 15 117.588 0.02 . . . . . . . 117 VAL N . 25629 1 450 . 1 1 118 118 ASP H H 1 7.64548 0.005 . . . . . . . 118 ASP HN . 25629 1 451 . 1 1 118 118 ASP C C 13 177.587 0.03 . . . . . . . 118 ASP C . 25629 1 452 . 1 1 118 118 ASP CA C 13 57.336 0.03 . . . . . . . 118 ASP CA . 25629 1 453 . 1 1 118 118 ASP N N 15 117.593 0.02 . . . . . . . 118 ASP N . 25629 1 454 . 1 1 119 119 ARG H H 1 8.00601 0.005 . . . . . . . 119 ARG HN . 25629 1 455 . 1 1 119 119 ARG C C 13 179.579 0.03 . . . . . . . 119 ARG C . 25629 1 456 . 1 1 119 119 ARG CA C 13 59.873 0.03 . . . . . . . 119 ARG CA . 25629 1 457 . 1 1 119 119 ARG N N 15 117.411 0.02 . . . . . . . 119 ARG N . 25629 1 458 . 1 1 120 120 ILE H H 1 7.93024 0.005 . . . . . . . 120 ILE HN . 25629 1 459 . 1 1 120 120 ILE C C 13 177.461 0.03 . . . . . . . 120 ILE C . 25629 1 460 . 1 1 120 120 ILE CA C 13 64.112 0.03 . . . . . . . 120 ILE CA . 25629 1 461 . 1 1 120 120 ILE N N 15 119.57 0.02 . . . . . . . 120 ILE N . 25629 1 462 . 1 1 121 121 VAL H H 1 8.84728 0.005 . . . . . . . 121 VAL HN . 25629 1 463 . 1 1 121 121 VAL C C 13 177.701 0.03 . . . . . . . 121 VAL C . 25629 1 464 . 1 1 121 121 VAL CA C 13 64.35 0.03 . . . . . . . 121 VAL CA . 25629 1 465 . 1 1 121 121 VAL N N 15 115.964 0.02 . . . . . . . 121 VAL N . 25629 1 466 . 1 1 122 122 GLY H H 1 7.24693 0.005 . . . . . . . 122 GLY HN . 25629 1 467 . 1 1 122 122 GLY C C 13 177.953 0.03 . . . . . . . 122 GLY C . 25629 1 468 . 1 1 122 122 GLY CA C 13 44.848 0.03 . . . . . . . 122 GLY CA . 25629 1 469 . 1 1 122 122 GLY N N 15 106.226 0.02 . . . . . . . 122 GLY N . 25629 1 470 . 1 1 123 123 ARG H H 1 7.54716 0.005 . . . . . . . 123 ARG HN . 25629 1 471 . 1 1 123 123 ARG C C 13 173.011 0.03 . . . . . . . 123 ARG C . 25629 1 472 . 1 1 123 123 ARG CA C 13 57.452 0.03 . . . . . . . 123 ARG CA . 25629 1 473 . 1 1 123 123 ARG N N 15 121.175 0.02 . . . . . . . 123 ARG N . 25629 1 474 . 1 1 124 124 ARG H H 1 8.73402 0.005 . . . . . . . 124 ARG HN . 25629 1 475 . 1 1 124 124 ARG C C 13 177.835 0.03 . . . . . . . 124 ARG C . 25629 1 476 . 1 1 124 124 ARG CA C 13 53.087 0.03 . . . . . . . 124 ARG CA . 25629 1 477 . 1 1 124 124 ARG N N 15 126.149 0.02 . . . . . . . 124 ARG N . 25629 1 478 . 1 1 125 125 VAL H H 1 9.18901 0.005 . . . . . . . 125 VAL HN . 25629 1 479 . 1 1 125 125 VAL C C 13 174.66 0.03 . . . . . . . 125 VAL C . 25629 1 480 . 1 1 125 125 VAL CA C 13 59.309 0.03 . . . . . . . 125 VAL CA . 25629 1 481 . 1 1 125 125 VAL N N 15 118.763 0.02 . . . . . . . 125 VAL N . 25629 1 482 . 1 1 126 126 HIS H H 1 9.07621 0.005 . . . . . . . 126 HIS HN . 25629 1 483 . 1 1 126 126 HIS C C 13 174.776 0.03 . . . . . . . 126 HIS C . 25629 1 484 . 1 1 126 126 HIS CA C 13 55.214 0.03 . . . . . . . 126 HIS CA . 25629 1 485 . 1 1 126 126 HIS N N 15 127.331 0.02 . . . . . . . 126 HIS N . 25629 1 486 . 1 1 127 127 ALA H H 1 8.93835 0.005 . . . . . . . 127 ALA HN . 25629 1 487 . 1 1 127 127 ALA C C 13 174.06 0.03 . . . . . . . 127 ALA C . 25629 1 488 . 1 1 127 127 ALA CA C 13 56.338 0.03 . . . . . . . 127 ALA CA . 25629 1 489 . 1 1 127 127 ALA N N 15 130.139 0.02 . . . . . . . 127 ALA N . 25629 1 490 . 1 1 128 128 PRO CA C 13 65.96 0.03 . . . . . . . 128 PRO CA . 25629 1 491 . 1 1 129 129 SER H H 1 6.66107 0.005 . . . . . . . 129 SER HN . 25629 1 492 . 1 1 129 129 SER C C 13 177.318 0.03 . . . . . . . 129 SER C . 25629 1 493 . 1 1 129 129 SER CA C 13 58.901 0.03 . . . . . . . 129 SER CA . 25629 1 494 . 1 1 129 129 SER N N 15 107.886 0.02 . . . . . . . 129 SER N . 25629 1 495 . 1 1 130 130 GLY H H 1 8.47887 0.005 . . . . . . . 130 GLY HN . 25629 1 496 . 1 1 130 130 GLY C C 13 176.84 0.03 . . . . . . . 130 GLY C . 25629 1 497 . 1 1 130 130 GLY CA C 13 45.276 0.03 . . . . . . . 130 GLY CA . 25629 1 498 . 1 1 130 130 GLY N N 15 113.609 0.02 . . . . . . . 130 GLY N . 25629 1 499 . 1 1 131 131 ARG H H 1 8.33883 0.005 . . . . . . . 131 ARG HN . 25629 1 500 . 1 1 131 131 ARG C C 13 174.423 0.03 . . . . . . . 131 ARG C . 25629 1 501 . 1 1 131 131 ARG CA C 13 59.325 0.03 . . . . . . . 131 ARG CA . 25629 1 502 . 1 1 131 131 ARG N N 15 122.641 0.02 . . . . . . . 131 ARG N . 25629 1 503 . 1 1 132 132 VAL H H 1 7.80146 0.005 . . . . . . . 132 VAL HN . 25629 1 504 . 1 1 132 132 VAL C C 13 175.06 0.03 . . . . . . . 132 VAL C . 25629 1 505 . 1 1 132 132 VAL CA C 13 61.157 0.03 . . . . . . . 132 VAL CA . 25629 1 506 . 1 1 132 132 VAL N N 15 120.447 0.02 . . . . . . . 132 VAL N . 25629 1 507 . 1 1 133 133 TYR H H 1 9.10606 0.005 . . . . . . . 133 TYR HN . 25629 1 508 . 1 1 133 133 TYR C C 13 177.827 0.03 . . . . . . . 133 TYR C . 25629 1 509 . 1 1 133 133 TYR CA C 13 56.041 0.03 . . . . . . . 133 TYR CA . 25629 1 510 . 1 1 133 133 TYR N N 15 125.08 0.02 . . . . . . . 133 TYR N . 25629 1 511 . 1 1 134 134 HIS H H 1 8.2846 0.005 . . . . . . . 134 HIS HN . 25629 1 512 . 1 1 134 134 HIS C C 13 174.524 0.03 . . . . . . . 134 HIS C . 25629 1 513 . 1 1 134 134 HIS CA C 13 57.203 0.03 . . . . . . . 134 HIS CA . 25629 1 514 . 1 1 134 134 HIS N N 15 121.308 0.02 . . . . . . . 134 HIS N . 25629 1 515 . 1 1 135 135 VAL H H 1 8.04482 0.005 . . . . . . . 135 VAL HN . 25629 1 516 . 1 1 135 135 VAL C C 13 177.434 0.03 . . . . . . . 135 VAL C . 25629 1 517 . 1 1 135 135 VAL CA C 13 65.782 0.03 . . . . . . . 135 VAL CA . 25629 1 518 . 1 1 135 135 VAL N N 15 121.249 0.02 . . . . . . . 135 VAL N . 25629 1 519 . 1 1 136 136 LYS H H 1 9.40945 0.005 . . . . . . . 136 LYS HN . 25629 1 520 . 1 1 136 136 LYS C C 13 175.262 0.03 . . . . . . . 136 LYS C . 25629 1 521 . 1 1 136 136 LYS CA C 13 57.484 0.03 . . . . . . . 136 LYS CA . 25629 1 522 . 1 1 136 136 LYS N N 15 120.409 0.02 . . . . . . . 136 LYS N . 25629 1 523 . 1 1 137 137 PHE H H 1 8.09375 0.005 . . . . . . . 137 PHE HN . 25629 1 524 . 1 1 137 137 PHE C C 13 178.215 0.03 . . . . . . . 137 PHE C . 25629 1 525 . 1 1 137 137 PHE CA C 13 58.517 0.03 . . . . . . . 137 PHE CA . 25629 1 526 . 1 1 137 137 PHE N N 15 117.362 0.02 . . . . . . . 137 PHE N . 25629 1 527 . 1 1 138 138 ASN H H 1 8.47815 0.005 . . . . . . . 138 ASN HN . 25629 1 528 . 1 1 138 138 ASN C C 13 176.493 0.03 . . . . . . . 138 ASN C . 25629 1 529 . 1 1 138 138 ASN CA C 13 52.693 0.03 . . . . . . . 138 ASN CA . 25629 1 530 . 1 1 138 138 ASN N N 15 114.666 0.02 . . . . . . . 138 ASN N . 25629 1 531 . 1 1 140 140 PRO CA C 13 62.209 0.03 . . . . . . . 140 PRO CA . 25629 1 532 . 1 1 141 141 LYS H H 1 9.98019 0.005 . . . . . . . 141 LYS HN . 25629 1 533 . 1 1 141 141 LYS C C 13 176.657 0.03 . . . . . . . 141 LYS C . 25629 1 534 . 1 1 141 141 LYS CA C 13 59.33 0.03 . . . . . . . 141 LYS CA . 25629 1 535 . 1 1 141 141 LYS N N 15 124.638 0.02 . . . . . . . 141 LYS N . 25629 1 536 . 1 1 142 142 VAL H H 1 8.71152 0.005 . . . . . . . 142 VAL HN . 25629 1 537 . 1 1 142 142 VAL C C 13 177.362 0.03 . . . . . . . 142 VAL C . 25629 1 538 . 1 1 142 142 VAL CA C 13 61.177 0.03 . . . . . . . 142 VAL CA . 25629 1 539 . 1 1 142 142 VAL N N 15 121.099 0.02 . . . . . . . 142 VAL N . 25629 1 540 . 1 1 143 143 GLU H H 1 8.01814 0.005 . . . . . . . 143 GLU HN . 25629 1 541 . 1 1 143 143 GLU C C 13 174.2 0.03 . . . . . . . 143 GLU C . 25629 1 542 . 1 1 143 143 GLU CA C 13 58.401 0.03 . . . . . . . 143 GLU CA . 25629 1 543 . 1 1 143 143 GLU N N 15 126.039 0.02 . . . . . . . 143 GLU N . 25629 1 544 . 1 1 144 144 GLY H H 1 8.77305 0.005 . . . . . . . 144 GLY HN . 25629 1 545 . 1 1 144 144 GLY C C 13 177.467 0.03 . . . . . . . 144 GLY C . 25629 1 546 . 1 1 144 144 GLY CA C 13 45.574 0.03 . . . . . . . 144 GLY CA . 25629 1 547 . 1 1 144 144 GLY N N 15 112.212 0.02 . . . . . . . 144 GLY N . 25629 1 548 . 1 1 145 145 LYS H H 1 7.84866 0.005 . . . . . . . 145 LYS HN . 25629 1 549 . 1 1 145 145 LYS C C 13 173.727 0.03 . . . . . . . 145 LYS C . 25629 1 550 . 1 1 145 145 LYS CA C 13 53.702 0.03 . . . . . . . 145 LYS CA . 25629 1 551 . 1 1 145 145 LYS N N 15 119.872 0.02 . . . . . . . 145 LYS N . 25629 1 552 . 1 1 146 146 ASP H H 1 8.91277 0.005 . . . . . . . 146 ASP HN . 25629 1 553 . 1 1 146 146 ASP C C 13 175.359 0.03 . . . . . . . 146 ASP C . 25629 1 554 . 1 1 146 146 ASP CA C 13 54.133 0.03 . . . . . . . 146 ASP CA . 25629 1 555 . 1 1 146 146 ASP N N 15 120.414 0.02 . . . . . . . 146 ASP N . 25629 1 556 . 1 1 147 147 ASP H H 1 7.7521 0.005 . . . . . . . 147 ASP HN . 25629 1 557 . 1 1 147 147 ASP C C 13 177.24 0.03 . . . . . . . 147 ASP C . 25629 1 558 . 1 1 147 147 ASP CA C 13 57.39 0.03 . . . . . . . 147 ASP CA . 25629 1 559 . 1 1 147 147 ASP N N 15 127.558 0.02 . . . . . . . 147 ASP N . 25629 1 560 . 1 1 148 148 VAL H H 1 6.21974 0.005 . . . . . . . 148 VAL HN . 25629 1 561 . 1 1 148 148 VAL C C 13 176.522 0.03 . . . . . . . 148 VAL C . 25629 1 562 . 1 1 148 148 VAL CA C 13 65.162 0.03 . . . . . . . 148 VAL CA . 25629 1 563 . 1 1 148 148 VAL N N 15 115.4 0.02 . . . . . . . 148 VAL N . 25629 1 564 . 1 1 149 149 THR H H 1 7.35211 0.005 . . . . . . . 149 THR HN . 25629 1 565 . 1 1 149 149 THR C C 13 177.574 0.03 . . . . . . . 149 THR C . 25629 1 566 . 1 1 149 149 THR CA C 13 62.213 0.03 . . . . . . . 149 THR CA . 25629 1 567 . 1 1 149 149 THR N N 15 105.912 0.02 . . . . . . . 149 THR N . 25629 1 568 . 1 1 150 150 GLY H H 1 7.73359 0.005 . . . . . . . 150 GLY HN . 25629 1 569 . 1 1 150 150 GLY C C 13 176.646 0.03 . . . . . . . 150 GLY C . 25629 1 570 . 1 1 150 150 GLY CA C 13 46.016 0.03 . . . . . . . 150 GLY CA . 25629 1 571 . 1 1 150 150 GLY N N 15 111.62 0.02 . . . . . . . 150 GLY N . 25629 1 572 . 1 1 151 151 GLU H H 1 7.53704 0.005 . . . . . . . 151 GLU HN . 25629 1 573 . 1 1 151 151 GLU C C 13 173.488 0.03 . . . . . . . 151 GLU C . 25629 1 574 . 1 1 151 151 GLU CA C 13 55.854 0.03 . . . . . . . 151 GLU CA . 25629 1 575 . 1 1 151 151 GLU N N 15 119.064 0.02 . . . . . . . 151 GLU N . 25629 1 576 . 1 1 152 152 GLU H H 1 8.56479 0.005 . . . . . . . 152 GLU HN . 25629 1 577 . 1 1 152 152 GLU C C 13 176.063 0.03 . . . . . . . 152 GLU C . 25629 1 578 . 1 1 152 152 GLU CA C 13 57.584 0.03 . . . . . . . 152 GLU CA . 25629 1 579 . 1 1 152 152 GLU N N 15 120.061 0.02 . . . . . . . 152 GLU N . 25629 1 580 . 1 1 153 153 LEU H H 1 7.78959 0.005 . . . . . . . 153 LEU HN . 25629 1 581 . 1 1 153 153 LEU C C 13 176.92 0.03 . . . . . . . 153 LEU C . 25629 1 582 . 1 1 153 153 LEU CA C 13 53.227 0.03 . . . . . . . 153 LEU CA . 25629 1 583 . 1 1 153 153 LEU N N 15 121.471 0.02 . . . . . . . 153 LEU N . 25629 1 584 . 1 1 154 154 THR H H 1 9.20459 0.005 . . . . . . . 154 THR HN . 25629 1 585 . 1 1 154 154 THR C C 13 176.942 0.03 . . . . . . . 154 THR C . 25629 1 586 . 1 1 154 154 THR CA C 13 60.176 0.03 . . . . . . . 154 THR CA . 25629 1 587 . 1 1 154 154 THR N N 15 114.787 0.02 . . . . . . . 154 THR N . 25629 1 588 . 1 1 155 155 THR H H 1 8.26274 0.005 . . . . . . . 155 THR HN . 25629 1 589 . 1 1 155 155 THR C C 13 173.438 0.03 . . . . . . . 155 THR C . 25629 1 590 . 1 1 155 155 THR CA C 13 60.779 0.03 . . . . . . . 155 THR CA . 25629 1 591 . 1 1 155 155 THR N N 15 116.245 0.02 . . . . . . . 155 THR N . 25629 1 592 . 1 1 156 156 ARG H H 1 9.67815 0.005 . . . . . . . 156 ARG HN . 25629 1 593 . 1 1 156 156 ARG C C 13 175.125 0.03 . . . . . . . 156 ARG C . 25629 1 594 . 1 1 156 156 ARG CA C 13 56.273 0.03 . . . . . . . 156 ARG CA . 25629 1 595 . 1 1 156 156 ARG N N 15 127.891 0.02 . . . . . . . 156 ARG N . 25629 1 596 . 1 1 157 157 LYS H H 1 8.72061 0.005 . . . . . . . 157 LYS HN . 25629 1 597 . 1 1 157 157 LYS C C 13 178.407 0.03 . . . . . . . 157 LYS C . 25629 1 598 . 1 1 157 157 LYS CA C 13 59.587 0.03 . . . . . . . 157 LYS CA . 25629 1 599 . 1 1 157 157 LYS N N 15 125.688 0.02 . . . . . . . 157 LYS N . 25629 1 600 . 1 1 158 158 ASP H H 1 8.182 0.005 . . . . . . . 158 ASP HN . 25629 1 601 . 1 1 158 158 ASP C C 13 178.747 0.03 . . . . . . . 158 ASP C . 25629 1 602 . 1 1 158 158 ASP CA C 13 55.407 0.03 . . . . . . . 158 ASP CA . 25629 1 603 . 1 1 158 158 ASP N N 15 114.174 0.02 . . . . . . . 158 ASP N . 25629 1 604 . 1 1 159 159 ASP H H 1 7.331 0.005 . . . . . . . 159 ASP HN . 25629 1 605 . 1 1 159 159 ASP C C 13 175.369 0.03 . . . . . . . 159 ASP C . 25629 1 606 . 1 1 159 159 ASP CA C 13 53.354 0.03 . . . . . . . 159 ASP CA . 25629 1 607 . 1 1 159 159 ASP N N 15 117.583 0.02 . . . . . . . 159 ASP N . 25629 1 608 . 1 1 160 160 GLN H H 1 6.935 0.005 . . . . . . . 160 GLN HN . 25629 1 609 . 1 1 160 160 GLN C C 13 175.012 0.03 . . . . . . . 160 GLN C . 25629 1 610 . 1 1 160 160 GLN CA C 13 55.909 0.03 . . . . . . . 160 GLN CA . 25629 1 611 . 1 1 160 160 GLN N N 15 117.484 0.02 . . . . . . . 160 GLN N . 25629 1 612 . 1 1 161 161 GLU H H 1 9.1058 0.005 . . . . . . . 161 GLU HN . 25629 1 613 . 1 1 161 161 GLU C C 13 174.979 0.03 . . . . . . . 161 GLU C . 25629 1 614 . 1 1 161 161 GLU CA C 13 61.195 0.03 . . . . . . . 161 GLU CA . 25629 1 615 . 1 1 161 161 GLU N N 15 124.729 0.02 . . . . . . . 161 GLU N . 25629 1 616 . 1 1 162 162 GLU H H 1 9.19252 0.005 . . . . . . . 162 GLU HN . 25629 1 617 . 1 1 162 162 GLU C C 13 177.348 0.03 . . . . . . . 162 GLU C . 25629 1 618 . 1 1 162 162 GLU CA C 13 59.866 0.03 . . . . . . . 162 GLU CA . 25629 1 619 . 1 1 162 162 GLU N N 15 116.994 0.02 . . . . . . . 162 GLU N . 25629 1 620 . 1 1 163 163 CYS H H 1 7.14096 0.005 . . . . . . . 163 CYS HN . 25629 1 621 . 1 1 163 163 CYS C C 13 178.94 0.03 . . . . . . . 163 CYS C . 25629 1 622 . 1 1 163 163 CYS CA C 13 61.231 0.03 . . . . . . . 163 CYS CA . 25629 1 623 . 1 1 163 163 CYS N N 15 118.751 0.02 . . . . . . . 163 CYS N . 25629 1 624 . 1 1 164 164 VAL H H 1 7.978 0.005 . . . . . . . 164 VAL HN . 25629 1 625 . 1 1 164 164 VAL CA C 13 66.347 0.03 . . . . . . . 164 VAL CA . 25629 1 626 . 1 1 164 164 VAL N N 15 121.734 0.02 . . . . . . . 164 VAL N . 25629 1 627 . 1 1 165 165 ARG H H 1 8.6318 0.005 . . . . . . . 165 ARG HN . 25629 1 628 . 1 1 165 165 ARG C C 13 178.349 0.03 . . . . . . . 165 ARG C . 25629 1 629 . 1 1 165 165 ARG CA C 13 60.913 0.03 . . . . . . . 165 ARG CA . 25629 1 630 . 1 1 165 165 ARG N N 15 117.358 0.02 . . . . . . . 165 ARG N . 25629 1 631 . 1 1 166 166 LYS H H 1 7.53324 0.005 . . . . . . . 166 LYS HN . 25629 1 632 . 1 1 166 166 LYS N N 15 120.288 0.02 . . . . . . . 166 LYS N . 25629 1 633 . 1 1 167 167 ARG H H 1 7.80392 0.005 . . . . . . . 167 ARG HN . 25629 1 634 . 1 1 167 167 ARG N N 15 119.788 0.02 . . . . . . . 167 ARG N . 25629 1 635 . 1 1 168 168 LEU H H 1 7.98069 0.005 . . . . . . . 168 LEU HN . 25629 1 636 . 1 1 168 168 LEU C C 13 177.048 0.03 . . . . . . . 168 LEU C . 25629 1 637 . 1 1 168 168 LEU CA C 13 58.127 0.03 . . . . . . . 168 LEU CA . 25629 1 638 . 1 1 168 168 LEU N N 15 121.689 0.02 . . . . . . . 168 LEU N . 25629 1 639 . 1 1 169 169 VAL H H 1 8.132 0.005 . . . . . . . 169 VAL HN . 25629 1 640 . 1 1 169 169 VAL C C 13 178.174 0.03 . . . . . . . 169 VAL C . 25629 1 641 . 1 1 169 169 VAL CA C 13 67.155 0.03 . . . . . . . 169 VAL CA . 25629 1 642 . 1 1 169 169 VAL N N 15 121.908 0.02 . . . . . . . 169 VAL N . 25629 1 643 . 1 1 170 170 GLU H H 1 7.85325 0.005 . . . . . . . 170 GLU HN . 25629 1 644 . 1 1 170 170 GLU C C 13 179.485 0.03 . . . . . . . 170 GLU C . 25629 1 645 . 1 1 170 170 GLU CA C 13 59.435 0.03 . . . . . . . 170 GLU CA . 25629 1 646 . 1 1 170 170 GLU N N 15 119.704 0.02 . . . . . . . 170 GLU N . 25629 1 647 . 1 1 171 171 TYR H H 1 8.08352 0.005 . . . . . . . 171 TYR HN . 25629 1 648 . 1 1 171 171 TYR C C 13 178.993 0.03 . . . . . . . 171 TYR C . 25629 1 649 . 1 1 171 171 TYR CA C 13 61.722 0.03 . . . . . . . 171 TYR CA . 25629 1 650 . 1 1 171 171 TYR N N 15 120.518 0.02 . . . . . . . 171 TYR N . 25629 1 651 . 1 1 172 172 HIS H H 1 8.73106 0.005 . . . . . . . 172 HIS HN . 25629 1 652 . 1 1 172 172 HIS C C 13 179.073 0.03 . . . . . . . 172 HIS C . 25629 1 653 . 1 1 172 172 HIS CA C 13 59.448 0.03 . . . . . . . 172 HIS CA . 25629 1 654 . 1 1 172 172 HIS N N 15 120.863 0.02 . . . . . . . 172 HIS N . 25629 1 655 . 1 1 173 173 GLN H H 1 8.43731 0.005 . . . . . . . 173 GLN HN . 25629 1 656 . 1 1 173 173 GLN C C 13 177.349 0.03 . . . . . . . 173 GLN C . 25629 1 657 . 1 1 173 173 GLN CA C 13 58.915 0.03 . . . . . . . 173 GLN CA . 25629 1 658 . 1 1 173 173 GLN N N 15 119.47 0.02 . . . . . . . 173 GLN N . 25629 1 659 . 1 1 174 174 MET H H 1 7.63527 0.005 . . . . . . . 174 MET HN . 25629 1 660 . 1 1 174 174 MET C C 13 178.407 0.03 . . . . . . . 174 MET C . 25629 1 661 . 1 1 174 174 MET CA C 13 57.453 0.03 . . . . . . . 174 MET CA . 25629 1 662 . 1 1 174 174 MET N N 15 115.963 0.02 . . . . . . . 174 MET N . 25629 1 663 . 1 1 175 175 THR H H 1 8.069 0.005 . . . . . . . 175 THR HN . 25629 1 664 . 1 1 175 175 THR C C 13 178.169 0.03 . . . . . . . 175 THR C . 25629 1 665 . 1 1 175 175 THR CA C 13 65.447 0.03 . . . . . . . 175 THR CA . 25629 1 666 . 1 1 175 175 THR N N 15 113.602 0.02 . . . . . . . 175 THR N . 25629 1 667 . 1 1 176 176 ALA H H 1 8.3387 0.005 . . . . . . . 176 ALA HN . 25629 1 668 . 1 1 176 176 ALA C C 13 175.619 0.03 . . . . . . . 176 ALA C . 25629 1 669 . 1 1 176 176 ALA CA C 13 57.457 0.03 . . . . . . . 176 ALA CA . 25629 1 670 . 1 1 176 176 ALA N N 15 126.495 0.02 . . . . . . . 176 ALA N . 25629 1 671 . 1 1 177 177 PRO CA C 13 65.557 0.03 . . . . . . . 177 PRO CA . 25629 1 672 . 1 1 178 178 LEU H H 1 6.76139 0.005 . . . . . . . 178 LEU HN . 25629 1 673 . 1 1 178 178 LEU C C 13 179.698 0.03 . . . . . . . 178 LEU C . 25629 1 674 . 1 1 178 178 LEU CA C 13 57.204 0.03 . . . . . . . 178 LEU CA . 25629 1 675 . 1 1 178 178 LEU N N 15 119.568 0.02 . . . . . . . 178 LEU N . 25629 1 676 . 1 1 179 179 ILE H H 1 8.33948 0.005 . . . . . . . 179 ILE HN . 25629 1 677 . 1 1 179 179 ILE C C 13 178.188 0.03 . . . . . . . 179 ILE C . 25629 1 678 . 1 1 179 179 ILE CA C 13 64.769 0.03 . . . . . . . 179 ILE CA . 25629 1 679 . 1 1 179 179 ILE N N 15 121.467 0.02 . . . . . . . 179 ILE N . 25629 1 680 . 1 1 180 180 GLY H H 1 7.76018 0.005 . . . . . . . 180 GLY HN . 25629 1 681 . 1 1 180 180 GLY C C 13 179.677 0.03 . . . . . . . 180 GLY C . 25629 1 682 . 1 1 180 180 GLY CA C 13 47.419 0.03 . . . . . . . 180 GLY CA . 25629 1 683 . 1 1 180 180 GLY N N 15 108.103 0.02 . . . . . . . 180 GLY N . 25629 1 684 . 1 1 181 181 TYR H H 1 7.82121 0.005 . . . . . . . 181 TYR HN . 25629 1 685 . 1 1 181 181 TYR C C 13 176.66 0.03 . . . . . . . 181 TYR C . 25629 1 686 . 1 1 181 181 TYR CA C 13 61.472 0.03 . . . . . . . 181 TYR CA . 25629 1 687 . 1 1 181 181 TYR N N 15 124.218 0.02 . . . . . . . 181 TYR N . 25629 1 688 . 1 1 182 182 TYR H H 1 8.79924 0.005 . . . . . . . 182 TYR HN . 25629 1 689 . 1 1 182 182 TYR C C 13 178.274 0.03 . . . . . . . 182 TYR C . 25629 1 690 . 1 1 182 182 TYR CA C 13 62.934 0.03 . . . . . . . 182 TYR CA . 25629 1 691 . 1 1 182 182 TYR N N 15 119.152 0.02 . . . . . . . 182 TYR N . 25629 1 692 . 1 1 183 183 SER H H 1 8.36 0.005 . . . . . . . 183 SER HN . 25629 1 693 . 1 1 183 183 SER C C 13 178.14 0.03 . . . . . . . 183 SER C . 25629 1 694 . 1 1 183 183 SER CA C 13 62.255 0.03 . . . . . . . 183 SER CA . 25629 1 695 . 1 1 183 183 SER N N 15 117.768 0.02 . . . . . . . 183 SER N . 25629 1 696 . 1 1 184 184 LYS H H 1 7.30456 0.005 . . . . . . . 184 LYS HN . 25629 1 697 . 1 1 184 184 LYS C C 13 177.101 0.03 . . . . . . . 184 LYS C . 25629 1 698 . 1 1 184 184 LYS CA C 13 58.934 0.03 . . . . . . . 184 LYS CA . 25629 1 699 . 1 1 184 184 LYS N N 15 124.029 0.02 . . . . . . . 184 LYS N . 25629 1 700 . 1 1 185 185 GLU H H 1 7.8799 0.005 . . . . . . . 185 GLU HN . 25629 1 701 . 1 1 185 185 GLU C C 13 180.039 0.03 . . . . . . . 185 GLU C . 25629 1 702 . 1 1 185 185 GLU CA C 13 58.637 0.03 . . . . . . . 185 GLU CA . 25629 1 703 . 1 1 185 185 GLU N N 15 121.279 0.02 . . . . . . . 185 GLU N . 25629 1 704 . 1 1 186 186 ALA H H 1 8.23453 0.005 . . . . . . . 186 ALA HN . 25629 1 705 . 1 1 186 186 ALA C C 13 178.872 0.03 . . . . . . . 186 ALA C . 25629 1 706 . 1 1 186 186 ALA CA C 13 54.271 0.03 . . . . . . . 186 ALA CA . 25629 1 707 . 1 1 186 186 ALA N N 15 123.34 0.02 . . . . . . . 186 ALA N . 25629 1 708 . 1 1 187 187 GLU H H 1 7.83972 0.005 . . . . . . . 187 GLU HN . 25629 1 709 . 1 1 187 187 GLU C C 13 181.902 0.03 . . . . . . . 187 GLU C . 25629 1 710 . 1 1 187 187 GLU CA C 13 59.056 0.03 . . . . . . . 187 GLU CA . 25629 1 711 . 1 1 187 187 GLU N N 15 122.423 0.02 . . . . . . . 187 GLU N . 25629 1 712 . 1 1 188 188 ALA H H 1 7.36146 0.005 . . . . . . . 188 ALA HN . 25629 1 713 . 1 1 188 188 ALA C C 13 178.044 0.03 . . . . . . . 188 ALA C . 25629 1 714 . 1 1 188 188 ALA CA C 13 52.291 0.03 . . . . . . . 188 ALA CA . 25629 1 715 . 1 1 188 188 ALA N N 15 119.225 0.02 . . . . . . . 188 ALA N . 25629 1 716 . 1 1 189 189 GLY H H 1 7.68668 0.005 . . . . . . . 189 GLY HN . 25629 1 717 . 1 1 189 189 GLY C C 13 177.691 0.03 . . . . . . . 189 GLY C . 25629 1 718 . 1 1 189 189 GLY CA C 13 45.109 0.03 . . . . . . . 189 GLY CA . 25629 1 719 . 1 1 189 189 GLY N N 15 105.754 0.02 . . . . . . . 189 GLY N . 25629 1 720 . 1 1 190 190 ASN H H 1 8.03762 0.005 . . . . . . . 190 ASN HN . 25629 1 721 . 1 1 190 190 ASN C C 13 174.902 0.03 . . . . . . . 190 ASN C . 25629 1 722 . 1 1 190 190 ASN CA C 13 54.109 0.03 . . . . . . . 190 ASN CA . 25629 1 723 . 1 1 190 190 ASN N N 15 117.679 0.02 . . . . . . . 190 ASN N . 25629 1 724 . 1 1 191 191 THR H H 1 7.4145 0.005 . . . . . . . 191 THR HN . 25629 1 725 . 1 1 191 191 THR C C 13 174.533 0.03 . . . . . . . 191 THR C . 25629 1 726 . 1 1 191 191 THR CA C 13 60.928 0.03 . . . . . . . 191 THR CA . 25629 1 727 . 1 1 191 191 THR N N 15 113.645 0.02 . . . . . . . 191 THR N . 25629 1 728 . 1 1 192 192 LYS H H 1 7.71311 0.005 . . . . . . . 192 LYS HN . 25629 1 729 . 1 1 192 192 LYS C C 13 171.519 0.03 . . . . . . . 192 LYS C . 25629 1 730 . 1 1 192 192 LYS CA C 13 55.739 0.03 . . . . . . . 192 LYS CA . 25629 1 731 . 1 1 192 192 LYS N N 15 122.99 0.02 . . . . . . . 192 LYS N . 25629 1 732 . 1 1 193 193 TYR H H 1 8.18345 0.005 . . . . . . . 193 TYR HN . 25629 1 733 . 1 1 193 193 TYR C C 13 173.783 0.03 . . . . . . . 193 TYR C . 25629 1 734 . 1 1 193 193 TYR CA C 13 55.601 0.03 . . . . . . . 193 TYR CA . 25629 1 735 . 1 1 193 193 TYR N N 15 124.213 0.02 . . . . . . . 193 TYR N . 25629 1 736 . 1 1 194 194 ALA H H 1 8.13359 0.005 . . . . . . . 194 ALA HN . 25629 1 737 . 1 1 194 194 ALA C C 13 174.749 0.03 . . . . . . . 194 ALA C . 25629 1 738 . 1 1 194 194 ALA CA C 13 51.544 0.03 . . . . . . . 194 ALA CA . 25629 1 739 . 1 1 194 194 ALA N N 15 130.51 0.02 . . . . . . . 194 ALA N . 25629 1 740 . 1 1 195 195 LYS H H 1 8.20878 0.005 . . . . . . . 195 LYS HN . 25629 1 741 . 1 1 195 195 LYS C C 13 173.373 0.03 . . . . . . . 195 LYS C . 25629 1 742 . 1 1 195 195 LYS CA C 13 54.951 0.03 . . . . . . . 195 LYS CA . 25629 1 743 . 1 1 195 195 LYS N N 15 122.991 0.02 . . . . . . . 195 LYS N . 25629 1 744 . 1 1 196 196 VAL H H 1 8.9611 0.005 . . . . . . . 196 VAL HN . 25629 1 745 . 1 1 196 196 VAL C C 13 175.832 0.03 . . . . . . . 196 VAL C . 25629 1 746 . 1 1 196 196 VAL CA C 13 60.029 0.03 . . . . . . . 196 VAL CA . 25629 1 747 . 1 1 196 196 VAL N N 15 125.548 0.02 . . . . . . . 196 VAL N . 25629 1 748 . 1 1 197 197 ASP H H 1 8.61925 0.005 . . . . . . . 197 ASP HN . 25629 1 749 . 1 1 197 197 ASP C C 13 173.607 0.03 . . . . . . . 197 ASP C . 25629 1 750 . 1 1 197 197 ASP CA C 13 52.942 0.03 . . . . . . . 197 ASP CA . 25629 1 751 . 1 1 197 197 ASP N N 15 125.079 0.02 . . . . . . . 197 ASP N . 25629 1 752 . 1 1 198 198 GLY H H 1 8.28571 0.005 . . . . . . . 198 GLY HN . 25629 1 753 . 1 1 198 198 GLY C C 13 175.812 0.03 . . . . . . . 198 GLY C . 25629 1 754 . 1 1 198 198 GLY CA C 13 46.27 0.03 . . . . . . . 198 GLY CA . 25629 1 755 . 1 1 198 198 GLY N N 15 112.454 0.02 . . . . . . . 198 GLY N . 25629 1 756 . 1 1 199 199 THR H H 1 8.54138 0.005 . . . . . . . 199 THR HN . 25629 1 757 . 1 1 199 199 THR C C 13 175.334 0.03 . . . . . . . 199 THR C . 25629 1 758 . 1 1 199 199 THR CA C 13 62.658 0.03 . . . . . . . 199 THR CA . 25629 1 759 . 1 1 199 199 THR N N 15 112.312 0.02 . . . . . . . 199 THR N . 25629 1 760 . 1 1 200 200 LYS H H 1 6.449 0.005 . . . . . . . 200 LYS HN . 25629 1 761 . 1 1 200 200 LYS C C 13 175.016 0.03 . . . . . . . 200 LYS C . 25629 1 762 . 1 1 200 200 LYS CA C 13 55.49 0.03 . . . . . . . 200 LYS CA . 25629 1 763 . 1 1 200 200 LYS N N 15 122.056 0.02 . . . . . . . 200 LYS N . 25629 1 764 . 1 1 201 201 PRO CA C 13 63.033 0.03 . . . . . . . 201 PRO CA . 25629 1 765 . 1 1 202 202 VAL H H 1 8.33739 0.005 . . . . . . . 202 VAL HN . 25629 1 766 . 1 1 202 202 VAL C C 13 177.838 0.03 . . . . . . . 202 VAL C . 25629 1 767 . 1 1 202 202 VAL CA C 13 66.891 0.03 . . . . . . . 202 VAL CA . 25629 1 768 . 1 1 202 202 VAL N N 15 123.938 0.02 . . . . . . . 202 VAL N . 25629 1 769 . 1 1 203 203 ALA H H 1 8.718 0.005 . . . . . . . 203 ALA HN . 25629 1 770 . 1 1 203 203 ALA C C 13 177.571 0.03 . . . . . . . 203 ALA C . 25629 1 771 . 1 1 203 203 ALA CA C 13 55.077 0.03 . . . . . . . 203 ALA CA . 25629 1 772 . 1 1 203 203 ALA N N 15 119.972 0.02 . . . . . . . 203 ALA N . 25629 1 773 . 1 1 204 204 GLU H H 1 7.27879 0.005 . . . . . . . 204 GLU HN . 25629 1 774 . 1 1 204 204 GLU C C 13 180.863 0.03 . . . . . . . 204 GLU C . 25629 1 775 . 1 1 204 204 GLU CA C 13 58.536 0.03 . . . . . . . 204 GLU CA . 25629 1 776 . 1 1 204 204 GLU N N 15 118.291 0.02 . . . . . . . 204 GLU N . 25629 1 777 . 1 1 205 205 VAL H H 1 7.73701 0.005 . . . . . . . 205 VAL HN . 25629 1 778 . 1 1 205 205 VAL C C 13 178.285 0.03 . . . . . . . 205 VAL C . 25629 1 779 . 1 1 205 205 VAL CA C 13 66.217 0.03 . . . . . . . 205 VAL CA . 25629 1 780 . 1 1 205 205 VAL N N 15 121.583 0.02 . . . . . . . 205 VAL N . 25629 1 781 . 1 1 206 206 ARG H H 1 7.832 0.005 . . . . . . . 206 ARG HN . 25629 1 782 . 1 1 206 206 ARG C C 13 178.168 0.03 . . . . . . . 206 ARG C . 25629 1 783 . 1 1 206 206 ARG CA C 13 59.994 0.03 . . . . . . . 206 ARG CA . 25629 1 784 . 1 1 206 206 ARG N N 15 118.766 0.02 . . . . . . . 206 ARG N . 25629 1 785 . 1 1 207 207 ALA H H 1 7.11158 0.005 . . . . . . . 207 ALA HN . 25629 1 786 . 1 1 207 207 ALA C C 13 177.906 0.03 . . . . . . . 207 ALA C . 25629 1 787 . 1 1 207 207 ALA CA C 13 54.959 0.03 . . . . . . . 207 ALA CA . 25629 1 788 . 1 1 207 207 ALA N N 15 120.817 0.02 . . . . . . . 207 ALA N . 25629 1 789 . 1 1 208 208 ASP H H 1 8.1447 0.005 . . . . . . . 208 ASP HN . 25629 1 790 . 1 1 208 208 ASP C C 13 180.869 0.03 . . . . . . . 208 ASP C . 25629 1 791 . 1 1 208 208 ASP CA C 13 57.459 0.03 . . . . . . . 208 ASP CA . 25629 1 792 . 1 1 208 208 ASP N N 15 121.806 0.02 . . . . . . . 208 ASP N . 25629 1 793 . 1 1 209 209 LEU H H 1 8.41388 0.005 . . . . . . . 209 LEU HN . 25629 1 794 . 1 1 209 209 LEU C C 13 179.68 0.03 . . . . . . . 209 LEU C . 25629 1 795 . 1 1 209 209 LEU CA C 13 58.117 0.03 . . . . . . . 209 LEU CA . 25629 1 796 . 1 1 209 209 LEU N N 15 121.039 0.02 . . . . . . . 209 LEU N . 25629 1 797 . 1 1 210 210 GLU H H 1 8.3358 0.005 . . . . . . . 210 GLU HN . 25629 1 798 . 1 1 210 210 GLU C C 13 178.637 0.03 . . . . . . . 210 GLU C . 25629 1 799 . 1 1 210 210 GLU CA C 13 59.456 0.03 . . . . . . . 210 GLU CA . 25629 1 800 . 1 1 210 210 GLU N N 15 119.367 0.02 . . . . . . . 210 GLU N . 25629 1 801 . 1 1 211 211 LYS H H 1 7.541 0.005 . . . . . . . 211 LYS HN . 25629 1 802 . 1 1 211 211 LYS C C 13 179.547 0.03 . . . . . . . 211 LYS C . 25629 1 803 . 1 1 211 211 LYS CA C 13 58.799 0.03 . . . . . . . 211 LYS CA . 25629 1 804 . 1 1 211 211 LYS N N 15 119.481 0.02 . . . . . . . 211 LYS N . 25629 1 805 . 1 1 212 212 ILE H H 1 7.4698 0.005 . . . . . . . 212 ILE HN . 25629 1 806 . 1 1 212 212 ILE C C 13 178.678 0.03 . . . . . . . 212 ILE C . 25629 1 807 . 1 1 212 212 ILE CA C 13 64.246 0.03 . . . . . . . 212 ILE CA . 25629 1 808 . 1 1 212 212 ILE N N 15 119.713 0.02 . . . . . . . 212 ILE N . 25629 1 809 . 1 1 213 213 LEU H H 1 7.996 0.005 . . . . . . . 213 LEU HN . 25629 1 810 . 1 1 213 213 LEU C C 13 177.002 0.03 . . . . . . . 213 LEU C . 25629 1 811 . 1 1 213 213 LEU CA C 13 55.908 0.03 . . . . . . . 213 LEU CA . 25629 1 812 . 1 1 213 213 LEU N N 15 117.533 0.02 . . . . . . . 213 LEU N . 25629 1 813 . 1 1 214 214 GLY H H 1 7.49646 0.005 . . . . . . . 214 GLY HN . 25629 1 814 . 1 1 214 214 GLY C C 13 177.376 0.03 . . . . . . . 214 GLY C . 25629 1 815 . 1 1 214 214 GLY CA C 13 46.327 0.03 . . . . . . . 214 GLY CA . 25629 1 816 . 1 1 214 214 GLY N N 15 112.91 0.02 . . . . . . . 214 GLY N . 25629 1 stop_ save_