data_51810 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51810 _Entry.Title ; Backbone chemical shifts for the Drosophila melanogaster Deltex WWE2 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-25 _Entry.Accession_date 2023-01-25 _Entry.Last_release_date 2023-01-25 _Entry.Original_release_date 2023-01-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Andrea Carter . A. . . 51810 2 Ananya Majumdar . . . . 51810 3 Doug Barrick . . . . 51810 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51810 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 479 51810 '15N chemical shifts' 169 51810 '1H chemical shifts' 169 51810 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-06-19 . original BMRB . 51810 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51810 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36977409 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural features of the Notch ankyrin domain-Deltex WWE2 domain heterodimer determined by NMR spectroscopy and functional implications ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 31 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _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 584 _Citation.Page_last 594 _Citation.Year 2023 _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 Andrea Carter . A. . . 51810 1 2 Kristen Ramsey . M. . . 51810 1 3 Christine Hatem . L. . . 51810 1 4 Kathryn Sherry . P. . . 51810 1 5 Ananya Majumdar . . . . 51810 1 6 Doug Barrick . . . . 51810 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Deltex, Notch, Ankyrin repeats, WWE2 motifs, RING domain, NMR, protein-protein interactions' 51810 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51810 _Assembly.ID 1 _Assembly.Name 'Deltex WWE2 domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Deltex 1 $entity_1 . . yes native no no . . . 51810 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51810 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; ATMALSTAGSGGPPVNHAHA VSVWEFESRGKWLPYSPAVS QHLERAHAKKLTRVMLSDAD PSLEQYYVNVRTMTQESEAE TAGSGLLTIGVRRMFYAPSS PAGKGTKWEWSGGSADSNND WRPYNMHVQSIIEDAWARGE QTLDLSNTHIGLPYTINFSN LTQLRQPSGPMRSIRRTQQA PYPLVKLTPQQANQLKSNSA SVSSQYNTLPKLGDTKSLHR VPMTRQQHPLPTSHQV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first residue (A) is residue 26 of Drosophila Deltex. The last residue (V) is residue 261. Four surface-exposed Cysteine residues in Drosophila Deltex were substituted with Serine residues. ; _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 236 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 26 ALA . 51810 1 2 27 THR . 51810 1 3 28 MET . 51810 1 4 29 ALA . 51810 1 5 30 LEU . 51810 1 6 31 SER . 51810 1 7 32 THR . 51810 1 8 33 ALA . 51810 1 9 34 GLY . 51810 1 10 35 SER . 51810 1 11 36 GLY . 51810 1 12 37 GLY . 51810 1 13 38 PRO . 51810 1 14 39 PRO . 51810 1 15 40 VAL . 51810 1 16 41 ASN . 51810 1 17 42 HIS . 51810 1 18 43 ALA . 51810 1 19 44 HIS . 51810 1 20 45 ALA . 51810 1 21 46 VAL . 51810 1 22 47 SER . 51810 1 23 48 VAL . 51810 1 24 49 TRP . 51810 1 25 50 GLU . 51810 1 26 51 PHE . 51810 1 27 52 GLU . 51810 1 28 53 SER . 51810 1 29 54 ARG . 51810 1 30 55 GLY . 51810 1 31 56 LYS . 51810 1 32 57 TRP . 51810 1 33 58 LEU . 51810 1 34 59 PRO . 51810 1 35 60 TYR . 51810 1 36 61 SER . 51810 1 37 62 PRO . 51810 1 38 63 ALA . 51810 1 39 64 VAL . 51810 1 40 65 SER . 51810 1 41 66 GLN . 51810 1 42 67 HIS . 51810 1 43 68 LEU . 51810 1 44 69 GLU . 51810 1 45 70 ARG . 51810 1 46 71 ALA . 51810 1 47 72 HIS . 51810 1 48 73 ALA . 51810 1 49 74 LYS . 51810 1 50 75 LYS . 51810 1 51 76 LEU . 51810 1 52 77 THR . 51810 1 53 78 ARG . 51810 1 54 79 VAL . 51810 1 55 80 MET . 51810 1 56 81 LEU . 51810 1 57 82 SER . 51810 1 58 83 ASP . 51810 1 59 84 ALA . 51810 1 60 85 ASP . 51810 1 61 86 PRO . 51810 1 62 87 SER . 51810 1 63 88 LEU . 51810 1 64 89 GLU . 51810 1 65 90 GLN . 51810 1 66 91 TYR . 51810 1 67 92 TYR . 51810 1 68 93 VAL . 51810 1 69 94 ASN . 51810 1 70 95 VAL . 51810 1 71 96 ARG . 51810 1 72 97 THR . 51810 1 73 98 MET . 51810 1 74 99 THR . 51810 1 75 100 GLN . 51810 1 76 101 GLU . 51810 1 77 102 SER . 51810 1 78 103 GLU . 51810 1 79 104 ALA . 51810 1 80 105 GLU . 51810 1 81 106 THR . 51810 1 82 107 ALA . 51810 1 83 108 GLY . 51810 1 84 109 SER . 51810 1 85 110 GLY . 51810 1 86 111 LEU . 51810 1 87 112 LEU . 51810 1 88 113 THR . 51810 1 89 114 ILE . 51810 1 90 115 GLY . 51810 1 91 116 VAL . 51810 1 92 117 ARG . 51810 1 93 118 ARG . 51810 1 94 119 MET . 51810 1 95 120 PHE . 51810 1 96 121 TYR . 51810 1 97 122 ALA . 51810 1 98 123 PRO . 51810 1 99 124 SER . 51810 1 100 125 SER . 51810 1 101 126 PRO . 51810 1 102 127 ALA . 51810 1 103 128 GLY . 51810 1 104 129 LYS . 51810 1 105 130 GLY . 51810 1 106 131 THR . 51810 1 107 132 LYS . 51810 1 108 133 TRP . 51810 1 109 134 GLU . 51810 1 110 135 TRP . 51810 1 111 136 SER . 51810 1 112 137 GLY . 51810 1 113 138 GLY . 51810 1 114 139 SER . 51810 1 115 140 ALA . 51810 1 116 141 ASP . 51810 1 117 142 SER . 51810 1 118 143 ASN . 51810 1 119 144 ASN . 51810 1 120 145 ASP . 51810 1 121 146 TRP . 51810 1 122 147 ARG . 51810 1 123 148 PRO . 51810 1 124 149 TYR . 51810 1 125 150 ASN . 51810 1 126 151 MET . 51810 1 127 152 HIS . 51810 1 128 153 VAL . 51810 1 129 154 GLN . 51810 1 130 155 SER . 51810 1 131 156 ILE . 51810 1 132 157 ILE . 51810 1 133 158 GLU . 51810 1 134 159 ASP . 51810 1 135 160 ALA . 51810 1 136 161 TRP . 51810 1 137 162 ALA . 51810 1 138 163 ARG . 51810 1 139 164 GLY . 51810 1 140 165 GLU . 51810 1 141 166 GLN . 51810 1 142 167 THR . 51810 1 143 168 LEU . 51810 1 144 169 ASP . 51810 1 145 170 LEU . 51810 1 146 171 SER . 51810 1 147 172 ASN . 51810 1 148 173 THR . 51810 1 149 174 HIS . 51810 1 150 175 ILE . 51810 1 151 176 GLY . 51810 1 152 177 LEU . 51810 1 153 178 PRO . 51810 1 154 179 TYR . 51810 1 155 180 THR . 51810 1 156 181 ILE . 51810 1 157 182 ASN . 51810 1 158 183 PHE . 51810 1 159 184 SER . 51810 1 160 185 ASN . 51810 1 161 186 LEU . 51810 1 162 187 THR . 51810 1 163 188 GLN . 51810 1 164 189 LEU . 51810 1 165 190 ARG . 51810 1 166 191 GLN . 51810 1 167 192 PRO . 51810 1 168 193 SER . 51810 1 169 194 GLY . 51810 1 170 195 PRO . 51810 1 171 196 MET . 51810 1 172 197 ARG . 51810 1 173 198 SER . 51810 1 174 199 ILE . 51810 1 175 200 ARG . 51810 1 176 201 ARG . 51810 1 177 202 THR . 51810 1 178 203 GLN . 51810 1 179 204 GLN . 51810 1 180 205 ALA . 51810 1 181 206 PRO . 51810 1 182 207 TYR . 51810 1 183 208 PRO . 51810 1 184 209 LEU . 51810 1 185 210 VAL . 51810 1 186 211 LYS . 51810 1 187 212 LEU . 51810 1 188 213 THR . 51810 1 189 214 PRO . 51810 1 190 215 GLN . 51810 1 191 216 GLN . 51810 1 192 217 ALA . 51810 1 193 218 ASN . 51810 1 194 219 GLN . 51810 1 195 220 LEU . 51810 1 196 221 LYS . 51810 1 197 222 SER . 51810 1 198 223 ASN . 51810 1 199 224 SER . 51810 1 200 225 ALA . 51810 1 201 226 SER . 51810 1 202 227 VAL . 51810 1 203 228 SER . 51810 1 204 229 SER . 51810 1 205 230 GLN . 51810 1 206 231 TYR . 51810 1 207 232 ASN . 51810 1 208 233 THR . 51810 1 209 234 LEU . 51810 1 210 235 PRO . 51810 1 211 236 LYS . 51810 1 212 237 LEU . 51810 1 213 238 GLY . 51810 1 214 239 ASP . 51810 1 215 240 THR . 51810 1 216 241 LYS . 51810 1 217 242 SER . 51810 1 218 243 LEU . 51810 1 219 244 HIS . 51810 1 220 245 ARG . 51810 1 221 246 VAL . 51810 1 222 247 PRO . 51810 1 223 248 MET . 51810 1 224 249 THR . 51810 1 225 250 ARG . 51810 1 226 251 GLN . 51810 1 227 252 GLN . 51810 1 228 253 HIS . 51810 1 229 254 PRO . 51810 1 230 255 LEU . 51810 1 231 256 PRO . 51810 1 232 257 THR . 51810 1 233 258 SER . 51810 1 234 259 HIS . 51810 1 235 260 GLN . 51810 1 236 261 VAL . 51810 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 . ALA 1 1 51810 1 . THR 2 2 51810 1 . MET 3 3 51810 1 . ALA 4 4 51810 1 . LEU 5 5 51810 1 . SER 6 6 51810 1 . THR 7 7 51810 1 . ALA 8 8 51810 1 . GLY 9 9 51810 1 . SER 10 10 51810 1 . GLY 11 11 51810 1 . GLY 12 12 51810 1 . PRO 13 13 51810 1 . PRO 14 14 51810 1 . VAL 15 15 51810 1 . ASN 16 16 51810 1 . HIS 17 17 51810 1 . ALA 18 18 51810 1 . HIS 19 19 51810 1 . ALA 20 20 51810 1 . VAL 21 21 51810 1 . SER 22 22 51810 1 . VAL 23 23 51810 1 . TRP 24 24 51810 1 . GLU 25 25 51810 1 . PHE 26 26 51810 1 . GLU 27 27 51810 1 . SER 28 28 51810 1 . ARG 29 29 51810 1 . GLY 30 30 51810 1 . LYS 31 31 51810 1 . TRP 32 32 51810 1 . LEU 33 33 51810 1 . PRO 34 34 51810 1 . TYR 35 35 51810 1 . SER 36 36 51810 1 . PRO 37 37 51810 1 . ALA 38 38 51810 1 . VAL 39 39 51810 1 . SER 40 40 51810 1 . GLN 41 41 51810 1 . HIS 42 42 51810 1 . LEU 43 43 51810 1 . GLU 44 44 51810 1 . ARG 45 45 51810 1 . ALA 46 46 51810 1 . HIS 47 47 51810 1 . ALA 48 48 51810 1 . LYS 49 49 51810 1 . LYS 50 50 51810 1 . LEU 51 51 51810 1 . THR 52 52 51810 1 . ARG 53 53 51810 1 . VAL 54 54 51810 1 . MET 55 55 51810 1 . LEU 56 56 51810 1 . SER 57 57 51810 1 . ASP 58 58 51810 1 . ALA 59 59 51810 1 . ASP 60 60 51810 1 . PRO 61 61 51810 1 . SER 62 62 51810 1 . LEU 63 63 51810 1 . GLU 64 64 51810 1 . GLN 65 65 51810 1 . TYR 66 66 51810 1 . TYR 67 67 51810 1 . VAL 68 68 51810 1 . ASN 69 69 51810 1 . VAL 70 70 51810 1 . ARG 71 71 51810 1 . THR 72 72 51810 1 . MET 73 73 51810 1 . THR 74 74 51810 1 . GLN 75 75 51810 1 . GLU 76 76 51810 1 . SER 77 77 51810 1 . GLU 78 78 51810 1 . ALA 79 79 51810 1 . GLU 80 80 51810 1 . THR 81 81 51810 1 . ALA 82 82 51810 1 . GLY 83 83 51810 1 . SER 84 84 51810 1 . GLY 85 85 51810 1 . LEU 86 86 51810 1 . LEU 87 87 51810 1 . THR 88 88 51810 1 . ILE 89 89 51810 1 . GLY 90 90 51810 1 . VAL 91 91 51810 1 . ARG 92 92 51810 1 . ARG 93 93 51810 1 . MET 94 94 51810 1 . PHE 95 95 51810 1 . TYR 96 96 51810 1 . ALA 97 97 51810 1 . PRO 98 98 51810 1 . SER 99 99 51810 1 . SER 100 100 51810 1 . PRO 101 101 51810 1 . ALA 102 102 51810 1 . GLY 103 103 51810 1 . LYS 104 104 51810 1 . GLY 105 105 51810 1 . THR 106 106 51810 1 . LYS 107 107 51810 1 . TRP 108 108 51810 1 . GLU 109 109 51810 1 . TRP 110 110 51810 1 . SER 111 111 51810 1 . GLY 112 112 51810 1 . GLY 113 113 51810 1 . SER 114 114 51810 1 . ALA 115 115 51810 1 . ASP 116 116 51810 1 . SER 117 117 51810 1 . ASN 118 118 51810 1 . ASN 119 119 51810 1 . ASP 120 120 51810 1 . TRP 121 121 51810 1 . ARG 122 122 51810 1 . PRO 123 123 51810 1 . TYR 124 124 51810 1 . ASN 125 125 51810 1 . MET 126 126 51810 1 . HIS 127 127 51810 1 . VAL 128 128 51810 1 . GLN 129 129 51810 1 . SER 130 130 51810 1 . ILE 131 131 51810 1 . ILE 132 132 51810 1 . GLU 133 133 51810 1 . ASP 134 134 51810 1 . ALA 135 135 51810 1 . TRP 136 136 51810 1 . ALA 137 137 51810 1 . ARG 138 138 51810 1 . GLY 139 139 51810 1 . GLU 140 140 51810 1 . GLN 141 141 51810 1 . THR 142 142 51810 1 . LEU 143 143 51810 1 . ASP 144 144 51810 1 . LEU 145 145 51810 1 . SER 146 146 51810 1 . ASN 147 147 51810 1 . THR 148 148 51810 1 . HIS 149 149 51810 1 . ILE 150 150 51810 1 . GLY 151 151 51810 1 . LEU 152 152 51810 1 . PRO 153 153 51810 1 . TYR 154 154 51810 1 . THR 155 155 51810 1 . ILE 156 156 51810 1 . ASN 157 157 51810 1 . PHE 158 158 51810 1 . SER 159 159 51810 1 . ASN 160 160 51810 1 . LEU 161 161 51810 1 . THR 162 162 51810 1 . GLN 163 163 51810 1 . LEU 164 164 51810 1 . ARG 165 165 51810 1 . GLN 166 166 51810 1 . PRO 167 167 51810 1 . SER 168 168 51810 1 . GLY 169 169 51810 1 . PRO 170 170 51810 1 . MET 171 171 51810 1 . ARG 172 172 51810 1 . SER 173 173 51810 1 . ILE 174 174 51810 1 . ARG 175 175 51810 1 . ARG 176 176 51810 1 . THR 177 177 51810 1 . GLN 178 178 51810 1 . GLN 179 179 51810 1 . ALA 180 180 51810 1 . PRO 181 181 51810 1 . TYR 182 182 51810 1 . PRO 183 183 51810 1 . LEU 184 184 51810 1 . VAL 185 185 51810 1 . LYS 186 186 51810 1 . LEU 187 187 51810 1 . THR 188 188 51810 1 . PRO 189 189 51810 1 . GLN 190 190 51810 1 . GLN 191 191 51810 1 . ALA 192 192 51810 1 . ASN 193 193 51810 1 . GLN 194 194 51810 1 . LEU 195 195 51810 1 . LYS 196 196 51810 1 . SER 197 197 51810 1 . ASN 198 198 51810 1 . SER 199 199 51810 1 . ALA 200 200 51810 1 . SER 201 201 51810 1 . VAL 202 202 51810 1 . SER 203 203 51810 1 . SER 204 204 51810 1 . GLN 205 205 51810 1 . TYR 206 206 51810 1 . ASN 207 207 51810 1 . THR 208 208 51810 1 . LEU 209 209 51810 1 . PRO 210 210 51810 1 . LYS 211 211 51810 1 . LEU 212 212 51810 1 . GLY 213 213 51810 1 . ASP 214 214 51810 1 . THR 215 215 51810 1 . LYS 216 216 51810 1 . SER 217 217 51810 1 . LEU 218 218 51810 1 . HIS 219 219 51810 1 . ARG 220 220 51810 1 . VAL 221 221 51810 1 . PRO 222 222 51810 1 . MET 223 223 51810 1 . THR 224 224 51810 1 . ARG 225 225 51810 1 . GLN 226 226 51810 1 . GLN 227 227 51810 1 . HIS 228 228 51810 1 . PRO 229 229 51810 1 . LEU 230 230 51810 1 . PRO 231 231 51810 1 . THR 232 232 51810 1 . SER 233 233 51810 1 . HIS 234 234 51810 1 . GLN 235 235 51810 1 . VAL 236 236 51810 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51810 _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 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3) . . . . . . . . . . . . 51810 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51810 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET15 . . . 51810 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51810 _Sample.ID 1 _Sample.Name 'Deltex WWE2 2H 13C 15N labelled' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Deltex WWE2 domain' '[U-100% 2H; U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 51810 1 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 51810 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 51810 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51810 _Sample.ID 2 _Sample.Name 'Deltex WWE2 2H 15N labelled' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Deltex WWE2 domain' '[U-100% 2H; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 51810 2 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 51810 2 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 51810 2 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 51810 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Triple-resonance experiments' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.3 . M 51810 1 pH 7.0 . pH 51810 1 pressure 1 . atm 51810 1 temperature 25 . K 51810 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 51810 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'TROSY spectra' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.3 . M 51810 2 pH 7.0 . pH 51810 2 pressure 1 . atm 51810 2 temperature 25 . K 51810 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51810 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51810 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51810 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51810 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51810 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Valerie _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51810 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Brew _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51810 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51810 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51810 1 3 '3D HNCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51810 1 4 HNCACB no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51810 1 5 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51810 1 6 HN(CA)N no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51810 1 7 HMQC-NOESY-HSQC no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51810 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 51810 _Computing_platform.ID 1 _Computing_platform.Name iMac _Computing_platform.Reference_ID . _Computing_platform.Site 'Department of Biophysics, Johns Hopkins University' _Computing_platform.Site_reference_ID . _Computing_platform.Details 'Spectra were processed with NMRPipe. Assignments were made with CARA' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51810 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'All spectra' _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 carbon' . . . . ppm 0 external direct 1 . . . . . 51810 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51810 1 N 15 DSS nitrogen . . . . ppm 0 external direct 1 . . . . . 51810 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51810 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shifts' _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51810 1 2 '3D HNCO' . . . 51810 1 3 '3D HNCACO' . . . 51810 1 4 HNCACB . . . 51810 1 5 '3D CBCACONH' . . . 51810 1 6 HN(CA)N . . . 51810 1 7 HMQC-NOESY-HSQC . . . 51810 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 2 $software_2 . . 51810 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 ALA H H 1 8.177 . . . . . . . . 26 ALA H . 51810 1 2 . 1 . 1 1 1 ALA C C 13 178.088 . . . . . . . . 26 ALA C . 51810 1 3 . 1 . 1 1 1 ALA CA C 13 52.392 . . . . . . . . 26 ALA CA . 51810 1 4 . 1 . 1 1 1 ALA CB C 13 18.261 . . . . . . . . 26 ALA CB . 51810 1 5 . 1 . 1 1 1 ALA N N 15 125.007 . . . . . . . . 26 ALA N . 51810 1 6 . 1 . 1 2 2 THR H H 1 7.92 . . . . . . . . 27 THR H . 51810 1 7 . 1 . 1 2 2 THR C C 13 174.827 . . . . . . . . 27 THR C . 51810 1 8 . 1 . 1 2 2 THR CA C 13 61.586 . . . . . . . . 27 THR CA . 51810 1 9 . 1 . 1 2 2 THR CB C 13 69.03 . . . . . . . . 27 THR CB . 51810 1 10 . 1 . 1 2 2 THR N N 15 113.142 . . . . . . . . 27 THR N . 51810 1 11 . 1 . 1 3 3 MET H H 1 8.132 . . . . . . . . 28 MET H . 51810 1 12 . 1 . 1 3 3 MET C C 13 175.955 . . . . . . . . 28 MET C . 51810 1 13 . 1 . 1 3 3 MET CA C 13 55.236 . . . . . . . . 28 MET CA . 51810 1 14 . 1 . 1 3 3 MET CB C 13 31.877 . . . . . . . . 28 MET CB . 51810 1 15 . 1 . 1 3 3 MET N N 15 122.746 . . . . . . . . 28 MET N . 51810 1 16 . 1 . 1 4 4 ALA H H 1 8.124 . . . . . . . . 29 ALA H . 51810 1 17 . 1 . 1 4 4 ALA C C 13 177.629 . . . . . . . . 29 ALA C . 51810 1 18 . 1 . 1 4 4 ALA CA C 13 52.029 . . . . . . . . 29 ALA CA . 51810 1 19 . 1 . 1 4 4 ALA CB C 13 18.2 . . . . . . . . 29 ALA CB . 51810 1 20 . 1 . 1 4 4 ALA N N 15 125.194 . . . . . . . . 29 ALA N . 51810 1 21 . 1 . 1 5 5 LEU H H 1 8.039 . . . . . . . . 30 LEU H . 51810 1 22 . 1 . 1 5 5 LEU C C 13 177.679 . . . . . . . . 30 LEU C . 51810 1 23 . 1 . 1 5 5 LEU CA C 13 54.631 . . . . . . . . 30 LEU CA . 51810 1 24 . 1 . 1 5 5 LEU CB C 13 41.257 . . . . . . . . 30 LEU CB . 51810 1 25 . 1 . 1 5 5 LEU N N 15 121.375 . . . . . . . . 30 LEU N . 51810 1 26 . 1 . 1 6 6 SER H H 1 8.18 . . . . . . . . 31 SER H . 51810 1 27 . 1 . 1 6 6 SER C C 13 178.803 . . . . . . . . 31 SER C . 51810 1 28 . 1 . 1 6 6 SER CA C 13 58.201 . . . . . . . . 31 SER CA . 51810 1 29 . 1 . 1 6 6 SER CB C 13 63.043 . . . . . . . . 31 SER CB . 51810 1 30 . 1 . 1 6 6 SER N N 15 116.525 . . . . . . . . 31 SER N . 51810 1 31 . 1 . 1 15 15 VAL H H 1 8.063 . . . . . . . . 40 VAL H . 51810 1 32 . 1 . 1 15 15 VAL C C 13 175.682 . . . . . . . . 40 VAL C . 51810 1 33 . 1 . 1 15 15 VAL CA C 13 61.526 . . . . . . . . 40 VAL CA . 51810 1 34 . 1 . 1 15 15 VAL CB C 13 31.873 . . . . . . . . 40 VAL CB . 51810 1 35 . 1 . 1 15 15 VAL N N 15 120.331 . . . . . . . . 40 VAL N . 51810 1 36 . 1 . 1 16 16 ASN H H 1 8.436 . . . . . . . . 41 ASN H . 51810 1 37 . 1 . 1 16 16 ASN C C 13 175.769 . . . . . . . . 41 ASN C . 51810 1 38 . 1 . 1 16 16 ASN CA C 13 52.997 . . . . . . . . 41 ASN CA . 51810 1 39 . 1 . 1 16 16 ASN CB C 13 40.289 . . . . . . . . 41 ASN CB . 51810 1 40 . 1 . 1 16 16 ASN N N 15 124.09 . . . . . . . . 41 ASN N . 51810 1 41 . 1 . 1 19 19 HIS H H 1 7.896 . . . . . . . . 44 HIS H . 51810 1 42 . 1 . 1 19 19 HIS C C 13 173.723 . . . . . . . . 44 HIS C . 51810 1 43 . 1 . 1 19 19 HIS CA C 13 54.929 . . . . . . . . 44 HIS CA . 51810 1 44 . 1 . 1 19 19 HIS CB C 13 32.72 . . . . . . . . 44 HIS CB . 51810 1 45 . 1 . 1 19 19 HIS N N 15 117.595 . . . . . . . . 44 HIS N . 51810 1 46 . 1 . 1 20 20 ALA H H 1 8.609 . . . . . . . . 45 ALA H . 51810 1 47 . 1 . 1 20 20 ALA C C 13 174.996 . . . . . . . . 45 ALA C . 51810 1 48 . 1 . 1 20 20 ALA CA C 13 50.149 . . . . . . . . 45 ALA CA . 51810 1 49 . 1 . 1 20 20 ALA CB C 13 22.251 . . . . . . . . 45 ALA CB . 51810 1 50 . 1 . 1 20 20 ALA N N 15 120.98 . . . . . . . . 45 ALA N . 51810 1 51 . 1 . 1 21 21 VAL H H 1 8.731 . . . . . . . . 46 VAL H . 51810 1 52 . 1 . 1 21 21 VAL C C 13 175.236 . . . . . . . . 46 VAL C . 51810 1 53 . 1 . 1 21 21 VAL CA C 13 58.923 . . . . . . . . 46 VAL CA . 51810 1 54 . 1 . 1 21 21 VAL CB C 13 32.236 . . . . . . . . 46 VAL CB . 51810 1 55 . 1 . 1 21 21 VAL N N 15 113.705 . . . . . . . . 46 VAL N . 51810 1 56 . 1 . 1 22 22 SER H H 1 8.642 . . . . . . . . 47 SER H . 51810 1 57 . 1 . 1 22 22 SER C C 13 55.777 . . . . . . . . 47 SER C . 51810 1 58 . 1 . 1 22 22 SER CA C 13 55.777 . . . . . . . . 47 SER CA . 51810 1 59 . 1 . 1 22 22 SER CB C 13 63.281 . . . . . . . . 47 SER CB . 51810 1 60 . 1 . 1 22 22 SER N N 15 119.126 . . . . . . . . 47 SER N . 51810 1 61 . 1 . 1 23 23 VAL H H 1 8.797 . . . . . . . . 48 VAL H . 51810 1 62 . 1 . 1 23 23 VAL C C 13 176.228 . . . . . . . . 48 VAL C . 51810 1 63 . 1 . 1 23 23 VAL CA C 13 60.077 . . . . . . . . 48 VAL CA . 51810 1 64 . 1 . 1 23 23 VAL CB C 13 33.148 . . . . . . . . 48 VAL CB . 51810 1 65 . 1 . 1 23 23 VAL N N 15 128.116 . . . . . . . . 48 VAL N . 51810 1 66 . 1 . 1 24 24 TRP H H 1 7.858 . . . . . . . . 49 TRP H . 51810 1 67 . 1 . 1 24 24 TRP C C 13 175.434 . . . . . . . . 49 TRP C . 51810 1 68 . 1 . 1 24 24 TRP CA C 13 57.233 . . . . . . . . 49 TRP CA . 51810 1 69 . 1 . 1 24 24 TRP CB C 13 28.246 . . . . . . . . 49 TRP CB . 51810 1 70 . 1 . 1 24 24 TRP N N 15 127.629 . . . . . . . . 49 TRP N . 51810 1 71 . 1 . 1 25 25 GLU H H 1 9.434 . . . . . . . . 50 GLU H . 51810 1 72 . 1 . 1 25 25 GLU C C 13 174.603 . . . . . . . . 50 GLU C . 51810 1 73 . 1 . 1 25 25 GLU CA C 13 53.421 . . . . . . . . 50 GLU CA . 51810 1 74 . 1 . 1 25 25 GLU CB C 13 35.024 . . . . . . . . 50 GLU CB . 51810 1 75 . 1 . 1 25 25 GLU N N 15 122.594 . . . . . . . . 50 GLU N . 51810 1 76 . 1 . 1 26 26 PHE H H 1 8.972 . . . . . . . . 51 PHE H . 51810 1 77 . 1 . 1 26 26 PHE C C 13 173.462 . . . . . . . . 51 PHE C . 51810 1 78 . 1 . 1 26 26 PHE CB C 13 40.587 . . . . . . . . 51 PHE CB . 51810 1 79 . 1 . 1 26 26 PHE N N 15 116.337 . . . . . . . . 51 PHE N . 51810 1 80 . 1 . 1 27 27 GLU H H 1 7.716 . . . . . . . . 52 GLU H . 51810 1 81 . 1 . 1 27 27 GLU C C 13 176.364 . . . . . . . . 52 GLU C . 51810 1 82 . 1 . 1 27 27 GLU CA C 13 55.115 . . . . . . . . 52 GLU CA . 51810 1 83 . 1 . 1 27 27 GLU CB C 13 28.912 . . . . . . . . 52 GLU CB . 51810 1 84 . 1 . 1 27 27 GLU N N 15 122.605 . . . . . . . . 52 GLU N . 51810 1 85 . 1 . 1 28 28 SER H H 1 8.631 . . . . . . . . 53 SER H . 51810 1 86 . 1 . 1 28 28 SER C C 13 56.14 . . . . . . . . 53 SER C . 51810 1 87 . 1 . 1 28 28 SER CA C 13 56.14 . . . . . . . . 53 SER CA . 51810 1 88 . 1 . 1 28 28 SER CB C 13 63.099 . . . . . . . . 53 SER CB . 51810 1 89 . 1 . 1 28 28 SER N N 15 118.778 . . . . . . . . 53 SER N . 51810 1 90 . 1 . 1 29 29 ARG H H 1 9.208 . . . . . . . . 54 ARG H . 51810 1 91 . 1 . 1 29 29 ARG C C 13 176.6 . . . . . . . . 54 ARG C . 51810 1 92 . 1 . 1 29 29 ARG CB C 13 26.915 . . . . . . . . 54 ARG CB . 51810 1 93 . 1 . 1 29 29 ARG N N 15 127.105 . . . . . . . . 54 ARG N . 51810 1 94 . 1 . 1 30 30 GLY H H 1 8.535 . . . . . . . . 55 GLY H . 51810 1 95 . 1 . 1 30 30 GLY C C 13 45.005 . . . . . . . . 55 GLY C . 51810 1 96 . 1 . 1 30 30 GLY CA C 13 45.005 . . . . . . . . 55 GLY CA . 51810 1 97 . 1 . 1 30 30 GLY N N 15 129.271 . . . . . . . . 55 GLY N . 51810 1 98 . 1 . 1 31 31 LYS H H 1 7.53 . . . . . . . . 56 LYS H . 51810 1 99 . 1 . 1 31 31 LYS C C 13 174.479 . . . . . . . . 56 LYS C . 51810 1 100 . 1 . 1 31 31 LYS CA C 13 53.477 . . . . . . . . 56 LYS CA . 51810 1 101 . 1 . 1 31 31 LYS CB C 13 34.233 . . . . . . . . 56 LYS CB . 51810 1 102 . 1 . 1 31 31 LYS N N 15 120.544 . . . . . . . . 56 LYS N . 51810 1 103 . 1 . 1 32 32 TRP H H 1 8.419 . . . . . . . . 57 TRP H . 51810 1 104 . 1 . 1 32 32 TRP C C 13 176.65 . . . . . . . . 57 TRP C . 51810 1 105 . 1 . 1 32 32 TRP CA C 13 55.66 . . . . . . . . 57 TRP CA . 51810 1 106 . 1 . 1 32 32 TRP CB C 13 29.214 . . . . . . . . 57 TRP CB . 51810 1 107 . 1 . 1 32 32 TRP N N 15 121.909 . . . . . . . . 57 TRP N . 51810 1 108 . 1 . 1 33 33 LEU H H 1 8.922 . . . . . . . . 58 LEU H . 51810 1 109 . 1 . 1 33 33 LEU C C 13 172.768 . . . . . . . . 58 LEU C . 51810 1 110 . 1 . 1 33 33 LEU CA C 13 50.455 . . . . . . . . 58 LEU CA . 51810 1 111 . 1 . 1 33 33 LEU CB C 13 41.257 . . . . . . . . 58 LEU CB . 51810 1 112 . 1 . 1 33 33 LEU N N 15 128.36 . . . . . . . . 58 LEU N . 51810 1 113 . 1 . 1 35 35 TYR H H 1 9.272 . . . . . . . . 60 TYR H . 51810 1 114 . 1 . 1 35 35 TYR C C 13 176.774 . . . . . . . . 60 TYR C . 51810 1 115 . 1 . 1 35 35 TYR CA C 13 59.109 . . . . . . . . 60 TYR CA . 51810 1 116 . 1 . 1 35 35 TYR CB C 13 38.957 . . . . . . . . 60 TYR CB . 51810 1 117 . 1 . 1 35 35 TYR N N 15 123.241 . . . . . . . . 60 TYR N . 51810 1 118 . 1 . 1 36 36 SER H H 1 9.35 . . . . . . . . 61 SER H . 51810 1 119 . 1 . 1 36 36 SER C C 13 173.5 . . . . . . . . 61 SER C . 51810 1 120 . 1 . 1 36 36 SER CA C 13 56.805 . . . . . . . . 61 SER CA . 51810 1 121 . 1 . 1 36 36 SER CB C 13 62.07 . . . . . . . . 61 SER CB . 51810 1 122 . 1 . 1 36 36 SER N N 15 119.078 . . . . . . . . 61 SER N . 51810 1 123 . 1 . 1 38 38 ALA H H 1 7.901 . . . . . . . . 63 ALA H . 51810 1 124 . 1 . 1 38 38 ALA C C 13 181.486 . . . . . . . . 63 ALA C . 51810 1 125 . 1 . 1 38 38 ALA CA C 13 54.687 . . . . . . . . 63 ALA CA . 51810 1 126 . 1 . 1 38 38 ALA CB C 13 17.591 . . . . . . . . 63 ALA CB . 51810 1 127 . 1 . 1 38 38 ALA N N 15 118.818 . . . . . . . . 63 ALA N . 51810 1 128 . 1 . 1 39 39 VAL H H 1 7.614 . . . . . . . . 64 VAL H . 51810 1 129 . 1 . 1 39 39 VAL C C 13 177.666 . . . . . . . . 64 VAL C . 51810 1 130 . 1 . 1 39 39 VAL CA C 13 65.883 . . . . . . . . 64 VAL CA . 51810 1 131 . 1 . 1 39 39 VAL CB C 13 30.905 . . . . . . . . 64 VAL CB . 51810 1 132 . 1 . 1 39 39 VAL N N 15 119.998 . . . . . . . . 64 VAL N . 51810 1 133 . 1 . 1 40 40 SER H H 1 8.795 . . . . . . . . 65 SER H . 51810 1 134 . 1 . 1 40 40 SER C C 13 63.281 . . . . . . . . 65 SER C . 51810 1 135 . 1 . 1 40 40 SER CA C 13 63.281 . . . . . . . . 65 SER CA . 51810 1 136 . 1 . 1 40 40 SER N N 15 115.66 . . . . . . . . 65 SER N . 51810 1 137 . 1 . 1 41 41 GLN H H 1 8.636 . . . . . . . . 66 GLN H . 51810 1 138 . 1 . 1 41 41 GLN C C 13 177.716 . . . . . . . . 66 GLN C . 51810 1 139 . 1 . 1 41 41 GLN CA C 13 58.863 . . . . . . . . 66 GLN CA . 51810 1 140 . 1 . 1 41 41 GLN CB C 13 27.334 . . . . . . . . 66 GLN CB . 51810 1 141 . 1 . 1 41 41 GLN N N 15 120.257 . . . . . . . . 66 GLN N . 51810 1 142 . 1 . 1 42 42 HIS H H 1 7.391 . . . . . . . . 67 HIS H . 51810 1 143 . 1 . 1 42 42 HIS C C 13 178.196 . . . . . . . . 67 HIS C . 51810 1 144 . 1 . 1 42 42 HIS CB C 13 31.328 . . . . . . . . 67 HIS CB . 51810 1 145 . 1 . 1 42 42 HIS N N 15 121.251 . . . . . . . . 67 HIS N . 51810 1 146 . 1 . 1 43 43 LEU H H 1 8.121 . . . . . . . . 68 LEU H . 51810 1 147 . 1 . 1 43 43 LEU C C 13 178.125 . . . . . . . . 68 LEU C . 51810 1 148 . 1 . 1 43 43 LEU CA C 13 57.048 . . . . . . . . 68 LEU CA . 51810 1 149 . 1 . 1 43 43 LEU CB C 13 36.533 . . . . . . . . 68 LEU CB . 51810 1 150 . 1 . 1 43 43 LEU N N 15 120.17 . . . . . . . . 68 LEU N . 51810 1 151 . 1 . 1 44 44 GLU H H 1 8.35 . . . . . . . . 69 GLU H . 51810 1 152 . 1 . 1 44 44 GLU C C 13 179.948 . . . . . . . . 69 GLU C . 51810 1 153 . 1 . 1 44 44 GLU CA C 13 58.802 . . . . . . . . 69 GLU CA . 51810 1 154 . 1 . 1 44 44 GLU CB C 13 29.089 . . . . . . . . 69 GLU CB . 51810 1 155 . 1 . 1 44 44 GLU N N 15 120.045 . . . . . . . . 69 GLU N . 51810 1 156 . 1 . 1 45 45 ARG H H 1 7.66 . . . . . . . . 70 ARG H . 51810 1 157 . 1 . 1 45 45 ARG C C 13 178.497 . . . . . . . . 70 ARG C . 51810 1 158 . 1 . 1 45 45 ARG N N 15 119.026 . . . . . . . . 70 ARG N . 51810 1 159 . 1 . 1 46 46 ALA H H 1 7.595 . . . . . . . . 71 ALA H . 51810 1 160 . 1 . 1 46 46 ALA C C 13 179.39 . . . . . . . . 71 ALA C . 51810 1 161 . 1 . 1 46 46 ALA CA C 13 54.268 . . . . . . . . 71 ALA CA . 51810 1 162 . 1 . 1 46 46 ALA CB C 13 18.866 . . . . . . . . 71 ALA CB . 51810 1 163 . 1 . 1 46 46 ALA N N 15 122.021 . . . . . . . . 71 ALA N . 51810 1 164 . 1 . 1 47 47 HIS H H 1 8.735 . . . . . . . . 72 HIS H . 51810 1 165 . 1 . 1 47 47 HIS C C 13 179.341 . . . . . . . . 72 HIS C . 51810 1 166 . 1 . 1 47 47 HIS CA C 13 60.013 . . . . . . . . 72 HIS CA . 51810 1 167 . 1 . 1 47 47 HIS CB C 13 30.421 . . . . . . . . 72 HIS CB . 51810 1 168 . 1 . 1 47 47 HIS N N 15 119.166 . . . . . . . . 72 HIS N . 51810 1 169 . 1 . 1 48 48 ALA H H 1 8.115 . . . . . . . . 73 ALA H . 51810 1 170 . 1 . 1 48 48 ALA C C 13 179.551 . . . . . . . . 73 ALA C . 51810 1 171 . 1 . 1 48 48 ALA CA C 13 54.449 . . . . . . . . 73 ALA CA . 51810 1 172 . 1 . 1 48 48 ALA CB C 13 17.474 . . . . . . . . 73 ALA CB . 51810 1 173 . 1 . 1 48 48 ALA N N 15 123.106 . . . . . . . . 73 ALA N . 51810 1 174 . 1 . 1 49 49 LYS H H 1 7.499 . . . . . . . . 74 LYS H . 51810 1 175 . 1 . 1 49 49 LYS C C 13 175.075 . . . . . . . . 74 LYS C . 51810 1 176 . 1 . 1 49 49 LYS CA C 13 55.595 . . . . . . . . 74 LYS CA . 51810 1 177 . 1 . 1 49 49 LYS CB C 13 31.873 . . . . . . . . 74 LYS CB . 51810 1 178 . 1 . 1 49 49 LYS N N 15 116.012 . . . . . . . . 74 LYS N . 51810 1 179 . 1 . 1 50 50 LYS H H 1 7.678 . . . . . . . . 75 LYS H . 51810 1 180 . 1 . 1 50 50 LYS C C 13 176.464 . . . . . . . . 75 LYS C . 51810 1 181 . 1 . 1 50 50 LYS CA C 13 56.083 . . . . . . . . 75 LYS CA . 51810 1 182 . 1 . 1 50 50 LYS CB C 13 27.455 . . . . . . . . 75 LYS CB . 51810 1 183 . 1 . 1 50 50 LYS N N 15 115.568 . . . . . . . . 75 LYS N . 51810 1 184 . 1 . 1 51 51 LEU H H 1 7.515 . . . . . . . . 76 LEU H . 51810 1 185 . 1 . 1 51 51 LEU C C 13 176.621 . . . . . . . . 76 LEU C . 51810 1 186 . 1 . 1 51 51 LEU CA C 13 54.445 . . . . . . . . 76 LEU CA . 51810 1 187 . 1 . 1 51 51 LEU CB C 13 40.648 . . . . . . . . 76 LEU CB . 51810 1 188 . 1 . 1 51 51 LEU N N 15 118.174 . . . . . . . . 76 LEU N . 51810 1 189 . 1 . 1 52 52 THR H H 1 8.062 . . . . . . . . 77 THR H . 51810 1 190 . 1 . 1 52 52 THR C C 13 173.959 . . . . . . . . 77 THR C . 51810 1 191 . 1 . 1 52 52 THR CA C 13 62.978 . . . . . . . . 77 THR CA . 51810 1 192 . 1 . 1 52 52 THR CB C 13 68.788 . . . . . . . . 77 THR CB . 51810 1 193 . 1 . 1 52 52 THR N N 15 111.33 . . . . . . . . 77 THR N . 51810 1 194 . 1 . 1 53 53 ARG H H 1 7.76 . . . . . . . . 78 ARG H . 51810 1 195 . 1 . 1 53 53 ARG C C 13 175.013 . . . . . . . . 78 ARG C . 51810 1 196 . 1 . 1 53 53 ARG CA C 13 55.115 . . . . . . . . 78 ARG CA . 51810 1 197 . 1 . 1 53 53 ARG CB C 13 31.453 . . . . . . . . 78 ARG CB . 51810 1 198 . 1 . 1 53 53 ARG N N 15 121.723 . . . . . . . . 78 ARG N . 51810 1 199 . 1 . 1 54 54 VAL H H 1 8.973 . . . . . . . . 79 VAL H . 51810 1 200 . 1 . 1 54 54 VAL C C 13 175.013 . . . . . . . . 79 VAL C . 51810 1 201 . 1 . 1 54 54 VAL CA C 13 60.198 . . . . . . . . 79 VAL CA . 51810 1 202 . 1 . 1 54 54 VAL CB C 13 33.087 . . . . . . . . 79 VAL CB . 51810 1 203 . 1 . 1 54 54 VAL N N 15 124.016 . . . . . . . . 79 VAL N . 51810 1 204 . 1 . 1 55 55 MET H H 1 8.944 . . . . . . . . 80 MET H . 51810 1 205 . 1 . 1 55 55 MET C C 13 177.604 . . . . . . . . 80 MET C . 51810 1 206 . 1 . 1 55 55 MET CA C 13 54.812 . . . . . . . . 80 MET CA . 51810 1 207 . 1 . 1 55 55 MET CB C 13 30.485 . . . . . . . . 80 MET CB . 51810 1 208 . 1 . 1 55 55 MET N N 15 126.72 . . . . . . . . 80 MET N . 51810 1 209 . 1 . 1 56 56 LEU H H 1 8.173 . . . . . . . . 81 LEU H . 51810 1 210 . 1 . 1 56 56 LEU C C 13 56.749 . . . . . . . . 81 LEU C . 51810 1 211 . 1 . 1 56 56 LEU CA C 13 56.749 . . . . . . . . 81 LEU CA . 51810 1 212 . 1 . 1 56 56 LEU CB C 13 40.107 . . . . . . . . 81 LEU CB . 51810 1 213 . 1 . 1 56 56 LEU N N 15 124.796 . . . . . . . . 81 LEU N . 51810 1 214 . 1 . 1 57 57 SER H H 1 8.645 . . . . . . . . 82 SER H . 51810 1 215 . 1 . 1 57 57 SER C C 13 175.261 . . . . . . . . 82 SER C . 51810 1 216 . 1 . 1 57 57 SER CA C 13 59.045 . . . . . . . . 82 SER CA . 51810 1 217 . 1 . 1 57 57 SER CB C 13 61.344 . . . . . . . . 82 SER CB . 51810 1 218 . 1 . 1 57 57 SER N N 15 115.004 . . . . . . . . 82 SER N . 51810 1 219 . 1 . 1 58 58 ASP H H 1 6.926 . . . . . . . . 83 ASP H . 51810 1 220 . 1 . 1 58 58 ASP C C 13 175.992 . . . . . . . . 83 ASP C . 51810 1 221 . 1 . 1 58 58 ASP CA C 13 55.777 . . . . . . . . 83 ASP CA . 51810 1 222 . 1 . 1 58 58 ASP CB C 13 39.801 . . . . . . . . 83 ASP CB . 51810 1 223 . 1 . 1 58 58 ASP N N 15 119.566 . . . . . . . . 83 ASP N . 51810 1 224 . 1 . 1 59 59 ALA H H 1 7.123 . . . . . . . . 84 ALA H . 51810 1 225 . 1 . 1 59 59 ALA C C 13 176.786 . . . . . . . . 84 ALA C . 51810 1 226 . 1 . 1 59 59 ALA CA C 13 51.359 . . . . . . . . 84 ALA CA . 51810 1 227 . 1 . 1 59 59 ALA CB C 13 19.951 . . . . . . . . 84 ALA CB . 51810 1 228 . 1 . 1 59 59 ALA N N 15 118.954 . . . . . . . . 84 ALA N . 51810 1 229 . 1 . 1 60 60 ASP H H 1 7.534 . . . . . . . . 85 ASP H . 51810 1 230 . 1 . 1 60 60 ASP C C 13 173.971 . . . . . . . . 85 ASP C . 51810 1 231 . 1 . 1 60 60 ASP CA C 13 50.451 . . . . . . . . 85 ASP CA . 51810 1 232 . 1 . 1 60 60 ASP CB C 13 41.495 . . . . . . . . 85 ASP CB . 51810 1 233 . 1 . 1 60 60 ASP N N 15 116.481 . . . . . . . . 85 ASP N . 51810 1 234 . 1 . 1 62 62 SER H H 1 8.325 . . . . . . . . 87 SER H . 51810 1 235 . 1 . 1 62 62 SER C C 13 175.682 . . . . . . . . 87 SER C . 51810 1 236 . 1 . 1 62 62 SER CA C 13 59.892 . . . . . . . . 87 SER CA . 51810 1 237 . 1 . 1 62 62 SER CB C 13 62.558 . . . . . . . . 87 SER CB . 51810 1 238 . 1 . 1 62 62 SER N N 15 114.24 . . . . . . . . 87 SER N . 51810 1 239 . 1 . 1 63 63 LEU H H 1 7.779 . . . . . . . . 88 LEU H . 51810 1 240 . 1 . 1 63 63 LEU C C 13 175.893 . . . . . . . . 88 LEU C . 51810 1 241 . 1 . 1 63 63 LEU CA C 13 53.057 . . . . . . . . 88 LEU CA . 51810 1 242 . 1 . 1 63 63 LEU CB C 13 39.623 . . . . . . . . 88 LEU CB . 51810 1 243 . 1 . 1 63 63 LEU N N 15 124.672 . . . . . . . . 88 LEU N . 51810 1 244 . 1 . 1 64 64 GLU H H 1 6.947 . . . . . . . . 89 GLU H . 51810 1 245 . 1 . 1 64 64 GLU C C 13 176.451 . . . . . . . . 89 GLU C . 51810 1 246 . 1 . 1 64 64 GLU CA C 13 57.955 . . . . . . . . 89 GLU CA . 51810 1 247 . 1 . 1 64 64 GLU CB C 13 29.089 . . . . . . . . 89 GLU CB . 51810 1 248 . 1 . 1 64 64 GLU N N 15 118.332 . . . . . . . . 89 GLU N . 51810 1 249 . 1 . 1 65 65 GLN H H 1 8.573 . . . . . . . . 90 GLN H . 51810 1 250 . 1 . 1 65 65 GLN C C 13 174.789 . . . . . . . . 90 GLN C . 51810 1 251 . 1 . 1 65 65 GLN CA C 13 57.048 . . . . . . . . 90 GLN CA . 51810 1 252 . 1 . 1 65 65 GLN CB C 13 26.79 . . . . . . . . 90 GLN CB . 51810 1 253 . 1 . 1 65 65 GLN N N 15 116.151 . . . . . . . . 90 GLN N . 51810 1 254 . 1 . 1 66 66 TYR H H 1 7.641 . . . . . . . . 91 TYR H . 51810 1 255 . 1 . 1 66 66 TYR C C 13 175.608 . . . . . . . . 91 TYR C . 51810 1 256 . 1 . 1 66 66 TYR CB C 13 40.648 . . . . . . . . 91 TYR CB . 51810 1 257 . 1 . 1 66 66 TYR N N 15 117.115 . . . . . . . . 91 TYR N . 51810 1 258 . 1 . 1 67 67 TYR H H 1 9.063 . . . . . . . . 92 TYR H . 51810 1 259 . 1 . 1 67 67 TYR C C 13 174.281 . . . . . . . . 92 TYR C . 51810 1 260 . 1 . 1 67 67 TYR CA C 13 55.293 . . . . . . . . 92 TYR CA . 51810 1 261 . 1 . 1 67 67 TYR N N 15 119.788 . . . . . . . . 92 TYR N . 51810 1 262 . 1 . 1 68 68 VAL H H 1 8.838 . . . . . . . . 93 VAL H . 51810 1 263 . 1 . 1 68 68 VAL C C 13 174.926 . . . . . . . . 93 VAL C . 51810 1 264 . 1 . 1 68 68 VAL CA C 13 60.134 . . . . . . . . 93 VAL CA . 51810 1 265 . 1 . 1 68 68 VAL CB C 13 34.294 . . . . . . . . 93 VAL CB . 51810 1 266 . 1 . 1 68 68 VAL N N 15 120.258 . . . . . . . . 93 VAL N . 51810 1 267 . 1 . 1 69 69 ASN H H 1 9.1 . . . . . . . . 94 ASN H . 51810 1 268 . 1 . 1 69 69 ASN C C 13 176.823 . . . . . . . . 94 ASN C . 51810 1 269 . 1 . 1 69 69 ASN CA C 13 51.0 . . . . . . . . 94 ASN CA . 51810 1 270 . 1 . 1 69 69 ASN CB C 13 38.534 . . . . . . . . 94 ASN CB . 51810 1 271 . 1 . 1 69 69 ASN N N 15 126.807 . . . . . . . . 94 ASN N . 51810 1 272 . 1 . 1 70 70 VAL H H 1 8.495 . . . . . . . . 95 VAL H . 51810 1 273 . 1 . 1 70 70 VAL C C 13 175.98 . . . . . . . . 95 VAL C . 51810 1 274 . 1 . 1 70 70 VAL CA C 13 63.224 . . . . . . . . 95 VAL CA . 51810 1 275 . 1 . 1 70 70 VAL CB C 13 30.667 . . . . . . . . 95 VAL CB . 51810 1 276 . 1 . 1 70 70 VAL N N 15 121.971 . . . . . . . . 95 VAL N . 51810 1 277 . 1 . 1 71 71 ARG H H 1 8.508 . . . . . . . . 96 ARG H . 51810 1 278 . 1 . 1 71 71 ARG C C 13 178.77 . . . . . . . . 96 ARG C . 51810 1 279 . 1 . 1 71 71 ARG CA C 13 57.834 . . . . . . . . 96 ARG CA . 51810 1 280 . 1 . 1 71 71 ARG CB C 13 28.787 . . . . . . . . 96 ARG CB . 51810 1 281 . 1 . 1 71 71 ARG N N 15 119.76 . . . . . . . . 96 ARG N . 51810 1 282 . 1 . 1 73 73 MET H H 1 8.095 . . . . . . . . 98 MET H . 51810 1 283 . 1 . 1 73 73 MET C C 13 175.782 . . . . . . . . 98 MET C . 51810 1 284 . 1 . 1 73 73 MET CA C 13 54.566 . . . . . . . . 98 MET CA . 51810 1 285 . 1 . 1 73 73 MET CB C 13 26.064 . . . . . . . . 98 MET CB . 51810 1 286 . 1 . 1 73 73 MET N N 15 120.567 . . . . . . . . 98 MET N . 51810 1 287 . 1 . 1 74 74 THR H H 1 7.933 . . . . . . . . 99 THR H . 51810 1 288 . 1 . 1 74 74 THR C C 13 173.041 . . . . . . . . 99 THR C . 51810 1 289 . 1 . 1 74 74 THR CA C 13 58.863 . . . . . . . . 99 THR CA . 51810 1 290 . 1 . 1 74 74 THR CB C 13 71.753 . . . . . . . . 99 THR CB . 51810 1 291 . 1 . 1 74 74 THR N N 15 109.714 . . . . . . . . 99 THR N . 51810 1 292 . 1 . 1 75 75 GLN H H 1 9.511 . . . . . . . . 100 GLN H . 51810 1 293 . 1 . 1 75 75 GLN C C 13 175.013 . . . . . . . . 100 GLN C . 51810 1 294 . 1 . 1 75 75 GLN CA C 13 54.268 . . . . . . . . 100 GLN CA . 51810 1 295 . 1 . 1 75 75 GLN CB C 13 29.941 . . . . . . . . 100 GLN CB . 51810 1 296 . 1 . 1 75 75 GLN N N 15 123.252 . . . . . . . . 100 GLN N . 51810 1 297 . 1 . 1 76 76 GLU H H 1 9.072 . . . . . . . . 101 GLU H . 51810 1 298 . 1 . 1 76 76 GLU C C 13 174.603 . . . . . . . . 101 GLU C . 51810 1 299 . 1 . 1 76 76 GLU CA C 13 53.663 . . . . . . . . 101 GLU CA . 51810 1 300 . 1 . 1 76 76 GLU CB C 13 32.24 . . . . . . . . 101 GLU CB . 51810 1 301 . 1 . 1 76 76 GLU N N 15 128.634 . . . . . . . . 101 GLU N . 51810 1 302 . 1 . 1 77 77 SER H H 1 8.469 . . . . . . . . 102 SER H . 51810 1 303 . 1 . 1 77 77 SER C C 13 175.013 . . . . . . . . 102 SER C . 51810 1 304 . 1 . 1 77 77 SER CA C 13 55.958 . . . . . . . . 102 SER CA . 51810 1 305 . 1 . 1 77 77 SER CB C 13 64.309 . . . . . . . . 102 SER CB . 51810 1 306 . 1 . 1 77 77 SER N N 15 113.618 . . . . . . . . 102 SER N . 51810 1 307 . 1 . 1 78 78 GLU H H 1 8.625 . . . . . . . . 103 GLU H . 51810 1 308 . 1 . 1 78 78 GLU C C 13 176.327 . . . . . . . . 103 GLU C . 51810 1 309 . 1 . 1 78 78 GLU CA C 13 56.265 . . . . . . . . 103 GLU CA . 51810 1 310 . 1 . 1 78 78 GLU CB C 13 29.456 . . . . . . . . 103 GLU CB . 51810 1 311 . 1 . 1 78 78 GLU N N 15 123.655 . . . . . . . . 103 GLU N . 51810 1 312 . 1 . 1 79 79 ALA H H 1 8.208 . . . . . . . . 104 ALA H . 51810 1 313 . 1 . 1 79 79 ALA C C 13 177.629 . . . . . . . . 104 ALA C . 51810 1 314 . 1 . 1 79 79 ALA CA C 13 51.908 . . . . . . . . 104 ALA CA . 51810 1 315 . 1 . 1 79 79 ALA CB C 13 18.685 . . . . . . . . 104 ALA CB . 51810 1 316 . 1 . 1 79 79 ALA N N 15 123.715 . . . . . . . . 104 ALA N . 51810 1 317 . 1 . 1 80 80 GLU H H 1 8.209 . . . . . . . . 105 GLU H . 51810 1 318 . 1 . 1 80 80 GLU C C 13 176.736 . . . . . . . . 105 GLU C . 51810 1 319 . 1 . 1 80 80 GLU CA C 13 56.446 . . . . . . . . 105 GLU CA . 51810 1 320 . 1 . 1 80 80 GLU CB C 13 29.275 . . . . . . . . 105 GLU CB . 51810 1 321 . 1 . 1 80 80 GLU N N 15 119.971 . . . . . . . . 105 GLU N . 51810 1 322 . 1 . 1 81 81 THR H H 1 7.854 . . . . . . . . 106 THR H . 51810 1 323 . 1 . 1 81 81 THR C C 13 174.587 . . . . . . . . 106 THR C . 51810 1 324 . 1 . 1 81 81 THR CA C 13 61.102 . . . . . . . . 106 THR CA . 51810 1 325 . 1 . 1 81 81 THR CB C 13 69.393 . . . . . . . . 106 THR CB . 51810 1 326 . 1 . 1 81 81 THR N N 15 113.963 . . . . . . . . 106 THR N . 51810 1 327 . 1 . 1 82 82 ALA H H 1 8.336 . . . . . . . . 107 ALA H . 51810 1 328 . 1 . 1 82 82 ALA C C 13 178.497 . . . . . . . . 107 ALA C . 51810 1 329 . 1 . 1 82 82 ALA CA C 13 52.694 . . . . . . . . 107 ALA CA . 51810 1 330 . 1 . 1 82 82 ALA CB C 13 17.837 . . . . . . . . 107 ALA CB . 51810 1 331 . 1 . 1 82 82 ALA N N 15 126.799 . . . . . . . . 107 ALA N . 51810 1 332 . 1 . 1 83 83 GLY H H 1 8.425 . . . . . . . . 108 GLY H . 51810 1 333 . 1 . 1 83 83 GLY C C 13 45.065 . . . . . . . . 108 GLY C . 51810 1 334 . 1 . 1 83 83 GLY CA C 13 45.065 . . . . . . . . 108 GLY CA . 51810 1 335 . 1 . 1 83 83 GLY N N 15 109.392 . . . . . . . . 108 GLY N . 51810 1 336 . 1 . 1 84 84 SER H H 1 8.051 . . . . . . . . 109 SER H . 51810 1 337 . 1 . 1 84 84 SER C C 13 58.318 . . . . . . . . 109 SER C . 51810 1 338 . 1 . 1 84 84 SER CA C 13 58.318 . . . . . . . . 109 SER CA . 51810 1 339 . 1 . 1 84 84 SER CB C 13 63.16 . . . . . . . . 109 SER CB . 51810 1 340 . 1 . 1 84 84 SER N N 15 116.023 . . . . . . . . 109 SER N . 51810 1 341 . 1 . 1 85 85 GLY H H 1 8.333 . . . . . . . . 110 GLY H . 51810 1 342 . 1 . 1 85 85 GLY C C 13 45.005 . . . . . . . . 110 GLY C . 51810 1 343 . 1 . 1 85 85 GLY CA C 13 45.005 . . . . . . . . 110 GLY CA . 51810 1 344 . 1 . 1 85 85 GLY N N 15 111.132 . . . . . . . . 110 GLY N . 51810 1 345 . 1 . 1 86 86 LEU H H 1 8.144 . . . . . . . . 111 LEU H . 51810 1 346 . 1 . 1 86 86 LEU C C 13 177.48 . . . . . . . . 111 LEU C . 51810 1 347 . 1 . 1 86 86 LEU CA C 13 54.752 . . . . . . . . 111 LEU CA . 51810 1 348 . 1 . 1 86 86 LEU CB C 13 41.499 . . . . . . . . 111 LEU CB . 51810 1 349 . 1 . 1 86 86 LEU N N 15 121.959 . . . . . . . . 111 LEU N . 51810 1 350 . 1 . 1 87 87 LEU H H 1 8.51 . . . . . . . . 112 LEU H . 51810 1 351 . 1 . 1 87 87 LEU C C 13 176.724 . . . . . . . . 112 LEU C . 51810 1 352 . 1 . 1 87 87 LEU N N 15 123.941 . . . . . . . . 112 LEU N . 51810 1 353 . 1 . 1 88 88 THR H H 1 7.925 . . . . . . . . 113 THR H . 51810 1 354 . 1 . 1 88 88 THR C C 13 173.983 . . . . . . . . 113 THR C . 51810 1 355 . 1 . 1 88 88 THR CA C 13 61.405 . . . . . . . . 113 THR CA . 51810 1 356 . 1 . 1 88 88 THR CB C 13 69.937 . . . . . . . . 113 THR CB . 51810 1 357 . 1 . 1 88 88 THR N N 15 118.164 . . . . . . . . 113 THR N . 51810 1 358 . 1 . 1 89 89 ILE H H 1 8.615 . . . . . . . . 114 ILE H . 51810 1 359 . 1 . 1 89 89 ILE C C 13 175.223 . . . . . . . . 114 ILE C . 51810 1 360 . 1 . 1 89 89 ILE CA C 13 58.927 . . . . . . . . 114 ILE CA . 51810 1 361 . 1 . 1 89 89 ILE CB C 13 40.894 . . . . . . . . 114 ILE CB . 51810 1 362 . 1 . 1 89 89 ILE N N 15 123.456 . . . . . . . . 114 ILE N . 51810 1 363 . 1 . 1 90 90 GLY H H 1 8.967 . . . . . . . . 115 GLY H . 51810 1 364 . 1 . 1 90 90 GLY C C 13 45.489 . . . . . . . . 115 GLY C . 51810 1 365 . 1 . 1 90 90 GLY CA C 13 45.489 . . . . . . . . 115 GLY CA . 51810 1 366 . 1 . 1 90 90 GLY N N 15 112.498 . . . . . . . . 115 GLY N . 51810 1 367 . 1 . 1 91 91 VAL H H 1 7.804 . . . . . . . . 116 VAL H . 51810 1 368 . 1 . 1 91 91 VAL C C 13 174.988 . . . . . . . . 116 VAL C . 51810 1 369 . 1 . 1 91 91 VAL CA C 13 59.468 . . . . . . . . 116 VAL CA . 51810 1 370 . 1 . 1 91 91 VAL CB C 13 35.625 . . . . . . . . 116 VAL CB . 51810 1 371 . 1 . 1 91 91 VAL N N 15 116.754 . . . . . . . . 116 VAL N . 51810 1 372 . 1 . 1 92 92 ARG H H 1 9.287 . . . . . . . . 117 ARG H . 51810 1 373 . 1 . 1 92 92 ARG C C 13 183.433 . . . . . . . . 117 ARG C . 51810 1 374 . 1 . 1 92 92 ARG CA C 13 53.901 . . . . . . . . 117 ARG CA . 51810 1 375 . 1 . 1 92 92 ARG CB C 13 31.631 . . . . . . . . 117 ARG CB . 51810 1 376 . 1 . 1 92 92 ARG N N 15 119.384 . . . . . . . . 117 ARG N . 51810 1 377 . 1 . 1 93 93 ARG H H 1 7.608 . . . . . . . . 118 ARG H . 51810 1 378 . 1 . 1 93 93 ARG C C 13 173.425 . . . . . . . . 118 ARG C . 51810 1 379 . 1 . 1 93 93 ARG CA C 13 53.844 . . . . . . . . 118 ARG CA . 51810 1 380 . 1 . 1 93 93 ARG CB C 13 29.638 . . . . . . . . 118 ARG CB . 51810 1 381 . 1 . 1 93 93 ARG N N 15 123.901 . . . . . . . . 118 ARG N . 51810 1 382 . 1 . 1 94 94 MET H H 1 8.017 . . . . . . . . 119 MET H . 51810 1 383 . 1 . 1 94 94 MET C C 13 172.706 . . . . . . . . 119 MET C . 51810 1 384 . 1 . 1 94 94 MET CA C 13 51.545 . . . . . . . . 119 MET CA . 51810 1 385 . 1 . 1 94 94 MET CB C 13 33.995 . . . . . . . . 119 MET CB . 51810 1 386 . 1 . 1 94 94 MET N N 15 128.076 . . . . . . . . 119 MET N . 51810 1 387 . 1 . 1 95 95 PHE H H 1 7.125 . . . . . . . . 120 PHE H . 51810 1 388 . 1 . 1 95 95 PHE C C 13 175.269 . . . . . . . . 120 PHE C . 51810 1 389 . 1 . 1 95 95 PHE CA C 13 53.235 . . . . . . . . 120 PHE CA . 51810 1 390 . 1 . 1 95 95 PHE CB C 13 39.074 . . . . . . . . 120 PHE CB . 51810 1 391 . 1 . 1 95 95 PHE N N 15 119.424 . . . . . . . . 120 PHE N . 51810 1 392 . 1 . 1 96 96 TYR H H 1 8.828 . . . . . . . . 121 TYR H . 51810 1 393 . 1 . 1 96 96 TYR C C 13 174.727 . . . . . . . . 121 TYR C . 51810 1 394 . 1 . 1 96 96 TYR CA C 13 56.14 . . . . . . . . 121 TYR CA . 51810 1 395 . 1 . 1 96 96 TYR CB C 13 41.798 . . . . . . . . 121 TYR CB . 51810 1 396 . 1 . 1 96 96 TYR N N 15 118.86 . . . . . . . . 121 TYR N . 51810 1 397 . 1 . 1 97 97 ALA H H 1 9.064 . . . . . . . . 122 ALA H . 51810 1 398 . 1 . 1 97 97 ALA C C 13 178.101 . . . . . . . . 122 ALA C . 51810 1 399 . 1 . 1 97 97 ALA CA C 13 50.576 . . . . . . . . 122 ALA CA . 51810 1 400 . 1 . 1 97 97 ALA CB C 13 17.111 . . . . . . . . 122 ALA CB . 51810 1 401 . 1 . 1 97 97 ALA N N 15 122.45 . . . . . . . . 122 ALA N . 51810 1 402 . 1 . 1 99 99 SER H H 1 7.148 . . . . . . . . 124 SER H . 51810 1 403 . 1 . 1 99 99 SER C C 13 57.29 . . . . . . . . 124 SER C . 51810 1 404 . 1 . 1 99 99 SER CA C 13 57.29 . . . . . . . . 124 SER CA . 51810 1 405 . 1 . 1 99 99 SER CB C 13 62.615 . . . . . . . . 124 SER CB . 51810 1 406 . 1 . 1 99 99 SER N N 15 129.974 . . . . . . . . 124 SER N . 51810 1 407 . 1 . 1 100 100 SER H H 1 7.752 . . . . . . . . 125 SER H . 51810 1 408 . 1 . 1 100 100 SER C C 13 173.016 . . . . . . . . 125 SER C . 51810 1 409 . 1 . 1 100 100 SER CA C 13 57.653 . . . . . . . . 125 SER CA . 51810 1 410 . 1 . 1 100 100 SER CB C 13 62.918 . . . . . . . . 125 SER CB . 51810 1 411 . 1 . 1 100 100 SER N N 15 118.818 . . . . . . . . 125 SER N . 51810 1 412 . 1 . 1 102 102 ALA H H 1 6.633 . . . . . . . . 127 ALA H . 51810 1 413 . 1 . 1 102 102 ALA C C 13 180.184 . . . . . . . . 127 ALA C . 51810 1 414 . 1 . 1 102 102 ALA CA C 13 53.84 . . . . . . . . 127 ALA CA . 51810 1 415 . 1 . 1 102 102 ALA CB C 13 18.439 . . . . . . . . 127 ALA CB . 51810 1 416 . 1 . 1 102 102 ALA N N 15 116.025 . . . . . . . . 127 ALA N . 51810 1 417 . 1 . 1 103 103 GLY H H 1 7.652 . . . . . . . . 128 GLY H . 51810 1 418 . 1 . 1 103 103 GLY C C 13 174.835 . . . . . . . . 128 GLY C . 51810 1 419 . 1 . 1 103 103 GLY CA C 13 45.977 . . . . . . . . 128 GLY CA . 51810 1 420 . 1 . 1 103 103 GLY N N 15 129.853 . . . . . . . . 128 GLY N . 51810 1 421 . 1 . 1 104 104 LYS H H 1 7.936 . . . . . . . . 129 LYS H . 51810 1 422 . 1 . 1 104 104 LYS C C 13 177.381 . . . . . . . . 129 LYS C . 51810 1 423 . 1 . 1 104 104 LYS CA C 13 55.958 . . . . . . . . 129 LYS CA . 51810 1 424 . 1 . 1 104 104 LYS CB C 13 32.418 . . . . . . . . 129 LYS CB . 51810 1 425 . 1 . 1 104 104 LYS N N 15 118.322 . . . . . . . . 129 LYS N . 51810 1 426 . 1 . 1 105 105 GLY H H 1 7.708 . . . . . . . . 130 GLY H . 51810 1 427 . 1 . 1 105 105 GLY C C 13 46.155 . . . . . . . . 130 GLY C . 51810 1 428 . 1 . 1 105 105 GLY CA C 13 46.155 . . . . . . . . 130 GLY CA . 51810 1 429 . 1 . 1 105 105 GLY N N 15 108.14 . . . . . . . . 130 GLY N . 51810 1 430 . 1 . 1 106 106 THR H H 1 7.955 . . . . . . . . 131 THR H . 51810 1 431 . 1 . 1 106 106 THR C C 13 184.376 . . . . . . . . 131 THR C . 51810 1 432 . 1 . 1 106 106 THR CA C 13 60.436 . . . . . . . . 131 THR CA . 51810 1 433 . 1 . 1 106 106 THR CB C 13 71.148 . . . . . . . . 131 THR CB . 51810 1 434 . 1 . 1 106 106 THR N N 15 118.207 . . . . . . . . 131 THR N . 51810 1 435 . 1 . 1 107 107 LYS H H 1 8.491 . . . . . . . . 132 LYS H . 51810 1 436 . 1 . 1 107 107 LYS C C 13 174.095 . . . . . . . . 132 LYS C . 51810 1 437 . 1 . 1 107 107 LYS CA C 13 54.147 . . . . . . . . 132 LYS CA . 51810 1 438 . 1 . 1 107 107 LYS CB C 13 35.024 . . . . . . . . 132 LYS CB . 51810 1 439 . 1 . 1 107 107 LYS N N 15 123.742 . . . . . . . . 132 LYS N . 51810 1 440 . 1 . 1 108 108 TRP H H 1 7.747 . . . . . . . . 133 TRP H . 51810 1 441 . 1 . 1 108 108 TRP C C 13 175.583 . . . . . . . . 133 TRP C . 51810 1 442 . 1 . 1 108 108 TRP CA C 13 56.083 . . . . . . . . 133 TRP CA . 51810 1 443 . 1 . 1 108 108 TRP CB C 13 31.453 . . . . . . . . 133 TRP CB . 51810 1 444 . 1 . 1 108 108 TRP N N 15 123.69 . . . . . . . . 133 TRP N . 51810 1 445 . 1 . 1 109 109 GLU H H 1 8.804 . . . . . . . . 134 GLU H . 51810 1 446 . 1 . 1 109 109 GLU C C 13 174.095 . . . . . . . . 134 GLU C . 51810 1 447 . 1 . 1 109 109 GLU CA C 13 53.356 . . . . . . . . 134 GLU CA . 51810 1 448 . 1 . 1 109 109 GLU CB C 13 36.839 . . . . . . . . 134 GLU CB . 51810 1 449 . 1 . 1 109 109 GLU N N 15 119.471 . . . . . . . . 134 GLU N . 51810 1 450 . 1 . 1 110 110 TRP H H 1 8.845 . . . . . . . . 135 TRP H . 51810 1 451 . 1 . 1 110 110 TRP C C 13 174.703 . . . . . . . . 135 TRP C . 51810 1 452 . 1 . 1 110 110 TRP CB C 13 30.723 . . . . . . . . 135 TRP CB . 51810 1 453 . 1 . 1 110 110 TRP N N 15 116.687 . . . . . . . . 135 TRP N . 51810 1 454 . 1 . 1 111 111 SER H H 1 8.4 . . . . . . . . 136 SER H . 51810 1 455 . 1 . 1 111 111 SER C C 13 55.962 . . . . . . . . 136 SER C . 51810 1 456 . 1 . 1 111 111 SER CA C 13 55.962 . . . . . . . . 136 SER CA . 51810 1 457 . 1 . 1 111 111 SER CB C 13 62.498 . . . . . . . . 136 SER CB . 51810 1 458 . 1 . 1 111 111 SER N N 15 114.775 . . . . . . . . 136 SER N . 51810 1 459 . 1 . 1 112 112 GLY H H 1 7.961 . . . . . . . . 137 GLY H . 51810 1 460 . 1 . 1 112 112 GLY C C 13 44.944 . . . . . . . . 137 GLY C . 51810 1 461 . 1 . 1 112 112 GLY CA C 13 44.944 . . . . . . . . 137 GLY CA . 51810 1 462 . 1 . 1 112 112 GLY N N 15 114.298 . . . . . . . . 137 GLY N . 51810 1 463 . 1 . 1 120 120 ASP H H 1 7.907 . . . . . . . . 145 ASP H . 51810 1 464 . 1 . 1 120 120 ASP C C 13 174.975 . . . . . . . . 145 ASP C . 51810 1 465 . 1 . 1 120 120 ASP CA C 13 52.936 . . . . . . . . 145 ASP CA . 51810 1 466 . 1 . 1 120 120 ASP CB C 13 39.926 . . . . . . . . 145 ASP CB . 51810 1 467 . 1 . 1 120 120 ASP N N 15 121.24 . . . . . . . . 145 ASP N . 51810 1 468 . 1 . 1 121 121 TRP H H 1 7.714 . . . . . . . . 146 TRP H . 51810 1 469 . 1 . 1 121 121 TRP C C 13 176.389 . . . . . . . . 146 TRP C . 51810 1 470 . 1 . 1 121 121 TRP CA C 13 56.265 . . . . . . . . 146 TRP CA . 51810 1 471 . 1 . 1 121 121 TRP CB C 13 29.517 . . . . . . . . 146 TRP CB . 51810 1 472 . 1 . 1 121 121 TRP N N 15 122.965 . . . . . . . . 146 TRP N . 51810 1 473 . 1 . 1 122 122 ARG H H 1 8.936 . . . . . . . . 147 ARG H . 51810 1 474 . 1 . 1 122 122 ARG C C 13 172.557 . . . . . . . . 147 ARG C . 51810 1 475 . 1 . 1 122 122 ARG CA C 13 51.484 . . . . . . . . 147 ARG CA . 51810 1 476 . 1 . 1 122 122 ARG N N 15 124.277 . . . . . . . . 147 ARG N . 51810 1 477 . 1 . 1 124 124 TYR H H 1 6.966 . . . . . . . . 149 TYR H . 51810 1 478 . 1 . 1 124 124 TYR C C 13 177.059 . . . . . . . . 149 TYR C . 51810 1 479 . 1 . 1 124 124 TYR CA C 13 58.318 . . . . . . . . 149 TYR CA . 51810 1 480 . 1 . 1 124 124 TYR CB C 13 39.861 . . . . . . . . 149 TYR CB . 51810 1 481 . 1 . 1 124 124 TYR N N 15 116.552 . . . . . . . . 149 TYR N . 51810 1 482 . 1 . 1 125 125 ASN H H 1 9.306 . . . . . . . . 150 ASN H . 51810 1 483 . 1 . 1 125 125 ASN C C 13 176.786 . . . . . . . . 150 ASN C . 51810 1 484 . 1 . 1 125 125 ASN CA C 13 54.328 . . . . . . . . 150 ASN CA . 51810 1 485 . 1 . 1 125 125 ASN CB C 13 40.47 . . . . . . . . 150 ASN CB . 51810 1 486 . 1 . 1 125 125 ASN N N 15 121.75 . . . . . . . . 150 ASN N . 51810 1 487 . 1 . 1 126 126 MET H H 1 10.099 . . . . . . . . 151 MET H . 51810 1 488 . 1 . 1 126 126 MET C C 13 178.283 . . . . . . . . 151 MET C . 51810 1 489 . 1 . 1 126 126 MET CA C 13 56.688 . . . . . . . . 151 MET CA . 51810 1 490 . 1 . 1 126 126 MET CB C 13 28.488 . . . . . . . . 151 MET CB . 51810 1 491 . 1 . 1 126 126 MET N N 15 126.322 . . . . . . . . 151 MET N . 51810 1 492 . 1 . 1 128 128 VAL H H 1 7.774 . . . . . . . . 153 VAL H . 51810 1 493 . 1 . 1 128 128 VAL C C 13 178.014 . . . . . . . . 153 VAL C . 51810 1 494 . 1 . 1 128 128 VAL CA C 13 66.609 . . . . . . . . 153 VAL CA . 51810 1 495 . 1 . 1 128 128 VAL CB C 13 29.937 . . . . . . . . 153 VAL CB . 51810 1 496 . 1 . 1 128 128 VAL N N 15 121.928 . . . . . . . . 153 VAL N . 51810 1 497 . 1 . 1 129 129 GLN H H 1 8.826 . . . . . . . . 154 GLN H . 51810 1 498 . 1 . 1 129 129 GLN C C 13 177.642 . . . . . . . . 154 GLN C . 51810 1 499 . 1 . 1 129 129 GLN CA C 13 60.678 . . . . . . . . 154 GLN CA . 51810 1 500 . 1 . 1 129 129 GLN CB C 13 28.0 . . . . . . . . 154 GLN CB . 51810 1 501 . 1 . 1 129 129 GLN N N 15 117.32 . . . . . . . . 154 GLN N . 51810 1 502 . 1 . 1 130 130 SER H H 1 7.765 . . . . . . . . 155 SER H . 51810 1 503 . 1 . 1 130 130 SER C C 13 175.509 . . . . . . . . 155 SER C . 51810 1 504 . 1 . 1 130 130 SER CA C 13 61.284 . . . . . . . . 155 SER CA . 51810 1 505 . 1 . 1 130 130 SER CB C 13 62.437 . . . . . . . . 155 SER CB . 51810 1 506 . 1 . 1 130 130 SER N N 15 113.592 . . . . . . . . 155 SER N . 51810 1 507 . 1 . 1 131 131 ILE H H 1 7.387 . . . . . . . . 156 ILE H . 51810 1 508 . 1 . 1 131 131 ILE C C 13 178.845 . . . . . . . . 156 ILE C . 51810 1 509 . 1 . 1 131 131 ILE CA C 13 64.071 . . . . . . . . 156 ILE CA . 51810 1 510 . 1 . 1 131 131 ILE CB C 13 37.202 . . . . . . . . 156 ILE CB . 51810 1 511 . 1 . 1 131 131 ILE N N 15 123.814 . . . . . . . . 156 ILE N . 51810 1 512 . 1 . 1 132 132 ILE H H 1 7.961 . . . . . . . . 157 ILE H . 51810 1 513 . 1 . 1 132 132 ILE C C 13 176.836 . . . . . . . . 157 ILE C . 51810 1 514 . 1 . 1 132 132 ILE CA C 13 65.705 . . . . . . . . 157 ILE CA . 51810 1 515 . 1 . 1 132 132 ILE CB C 13 37.021 . . . . . . . . 157 ILE CB . 51810 1 516 . 1 . 1 132 132 ILE N N 15 121.947 . . . . . . . . 157 ILE N . 51810 1 517 . 1 . 1 133 133 GLU H H 1 8.264 . . . . . . . . 158 GLU H . 51810 1 518 . 1 . 1 133 133 GLU C C 13 177.902 . . . . . . . . 158 GLU C . 51810 1 519 . 1 . 1 133 133 GLU CA C 13 57.955 . . . . . . . . 158 GLU CA . 51810 1 520 . 1 . 1 133 133 GLU CB C 13 28.061 . . . . . . . . 158 GLU CB . 51810 1 521 . 1 . 1 133 133 GLU N N 15 119.511 . . . . . . . . 158 GLU N . 51810 1 522 . 1 . 1 135 135 ALA H H 1 7.385 . . . . . . . . 160 ALA H . 51810 1 523 . 1 . 1 135 135 ALA C C 13 178.287 . . . . . . . . 160 ALA C . 51810 1 524 . 1 . 1 135 135 ALA CA C 13 54.449 . . . . . . . . 160 ALA CA . 51810 1 525 . 1 . 1 135 135 ALA CB C 13 18.503 . . . . . . . . 160 ALA CB . 51810 1 526 . 1 . 1 135 135 ALA N N 15 121.586 . . . . . . . . 160 ALA N . 51810 1 527 . 1 . 1 136 136 TRP H H 1 8.518 . . . . . . . . 161 TRP H . 51810 1 528 . 1 . 1 136 136 TRP C C 13 181.027 . . . . . . . . 161 TRP C . 51810 1 529 . 1 . 1 136 136 TRP CA C 13 60.077 . . . . . . . . 161 TRP CA . 51810 1 530 . 1 . 1 136 136 TRP CB C 13 27.943 . . . . . . . . 161 TRP CB . 51810 1 531 . 1 . 1 136 136 TRP N N 15 121.325 . . . . . . . . 161 TRP N . 51810 1 532 . 1 . 1 137 137 ALA H H 1 9.15 . . . . . . . . 162 ALA H . 51810 1 533 . 1 . 1 137 137 ALA C C 13 179.514 . . . . . . . . 162 ALA C . 51810 1 534 . 1 . 1 137 137 ALA CA C 13 53.965 . . . . . . . . 162 ALA CA . 51810 1 535 . 1 . 1 137 137 ALA CB C 13 17.474 . . . . . . . . 162 ALA CB . 51810 1 536 . 1 . 1 137 137 ALA N N 15 122.868 . . . . . . . . 162 ALA N . 51810 1 537 . 1 . 1 138 138 ARG H H 1 7.39 . . . . . . . . 163 ARG H . 51810 1 538 . 1 . 1 138 138 ARG C C 13 176.798 . . . . . . . . 163 ARG C . 51810 1 539 . 1 . 1 138 138 ARG CA C 13 56.079 . . . . . . . . 163 ARG CA . 51810 1 540 . 1 . 1 138 138 ARG CB C 13 29.937 . . . . . . . . 163 ARG CB . 51810 1 541 . 1 . 1 138 138 ARG N N 15 115.575 . . . . . . . . 163 ARG N . 51810 1 542 . 1 . 1 139 139 GLY H H 1 7.521 . . . . . . . . 164 GLY H . 51810 1 543 . 1 . 1 139 139 GLY C C 13 45.065 . . . . . . . . 164 GLY C . 51810 1 544 . 1 . 1 139 139 GLY CA C 13 45.065 . . . . . . . . 164 GLY CA . 51810 1 545 . 1 . 1 139 139 GLY N N 15 107.778 . . . . . . . . 164 GLY N . 51810 1 546 . 1 . 1 140 140 GLU H H 1 7.354 . . . . . . . . 165 GLU H . 51810 1 547 . 1 . 1 140 140 GLU C C 13 176.501 . . . . . . . . 165 GLU C . 51810 1 548 . 1 . 1 140 140 GLU CA C 13 56.019 . . . . . . . . 165 GLU CA . 51810 1 549 . 1 . 1 140 140 GLU CB C 13 28.182 . . . . . . . . 165 GLU CB . 51810 1 550 . 1 . 1 140 140 GLU N N 15 118.622 . . . . . . . . 165 GLU N . 51810 1 551 . 1 . 1 141 141 GLN H H 1 8.953 . . . . . . . . 166 GLN H . 51810 1 552 . 1 . 1 141 141 GLN C C 13 177.208 . . . . . . . . 166 GLN C . 51810 1 553 . 1 . 1 141 141 GLN CA C 13 57.354 . . . . . . . . 166 GLN CA . 51810 1 554 . 1 . 1 141 141 GLN CB C 13 29.396 . . . . . . . . 166 GLN CB . 51810 1 555 . 1 . 1 141 141 GLN N N 15 119.176 . . . . . . . . 166 GLN N . 51810 1 556 . 1 . 1 142 142 THR H H 1 7.886 . . . . . . . . 167 THR H . 51810 1 557 . 1 . 1 142 142 THR C C 13 172.495 . . . . . . . . 167 THR C . 51810 1 558 . 1 . 1 142 142 THR CA C 13 58.863 . . . . . . . . 167 THR CA . 51810 1 559 . 1 . 1 142 142 THR CB C 13 72.055 . . . . . . . . 167 THR CB . 51810 1 560 . 1 . 1 142 142 THR N N 15 110.802 . . . . . . . . 167 THR N . 51810 1 561 . 1 . 1 143 143 LEU H H 1 8.654 . . . . . . . . 168 LEU H . 51810 1 562 . 1 . 1 143 143 LEU C C 13 173.363 . . . . . . . . 168 LEU C . 51810 1 563 . 1 . 1 143 143 LEU CA C 13 53.602 . . . . . . . . 168 LEU CA . 51810 1 564 . 1 . 1 143 143 LEU CB C 13 45.311 . . . . . . . . 168 LEU CB . 51810 1 565 . 1 . 1 143 143 LEU N N 15 122.375 . . . . . . . . 168 LEU N . 51810 1 566 . 1 . 1 144 144 ASP H H 1 8.896 . . . . . . . . 169 ASP H . 51810 1 567 . 1 . 1 144 144 ASP C C 13 177.567 . . . . . . . . 169 ASP C . 51810 1 568 . 1 . 1 144 144 ASP CA C 13 51.908 . . . . . . . . 169 ASP CA . 51810 1 569 . 1 . 1 144 144 ASP CB C 13 39.502 . . . . . . . . 169 ASP CB . 51810 1 570 . 1 . 1 144 144 ASP N N 15 128.236 . . . . . . . . 169 ASP N . 51810 1 571 . 1 . 1 145 145 LEU H H 1 8.799 . . . . . . . . 170 LEU H . 51810 1 572 . 1 . 1 145 145 LEU C C 13 178.969 . . . . . . . . 170 LEU C . 51810 1 573 . 1 . 1 145 145 LEU CA C 13 56.265 . . . . . . . . 170 LEU CA . 51810 1 574 . 1 . 1 145 145 LEU CB C 13 41.196 . . . . . . . . 170 LEU CB . 51810 1 575 . 1 . 1 145 145 LEU N N 15 124.799 . . . . . . . . 170 LEU N . 51810 1 576 . 1 . 1 147 147 ASN H H 1 7.086 . . . . . . . . 172 ASN H . 51810 1 577 . 1 . 1 147 147 ASN C C 13 52.267 . . . . . . . . 172 ASN C . 51810 1 578 . 1 . 1 147 147 ASN CA C 13 52.267 . . . . . . . . 172 ASN CA . 51810 1 579 . 1 . 1 147 147 ASN CB C 13 38.288 . . . . . . . . 172 ASN CB . 51810 1 580 . 1 . 1 147 147 ASN N N 15 120.243 . . . . . . . . 172 ASN N . 51810 1 581 . 1 . 1 154 154 TYR H H 1 8.089 . . . . . . . . 179 TYR H . 51810 1 582 . 1 . 1 154 154 TYR C C 13 174.926 . . . . . . . . 179 TYR C . 51810 1 583 . 1 . 1 154 154 TYR CA C 13 55.111 . . . . . . . . 179 TYR CA . 51810 1 584 . 1 . 1 154 154 TYR CB C 13 42.766 . . . . . . . . 179 TYR CB . 51810 1 585 . 1 . 1 154 154 TYR N N 15 119.034 . . . . . . . . 179 TYR N . 51810 1 586 . 1 . 1 155 155 THR H H 1 8.926 . . . . . . . . 180 THR H . 51810 1 587 . 1 . 1 155 155 THR C C 13 174.132 . . . . . . . . 180 THR C . 51810 1 588 . 1 . 1 155 155 THR CA C 13 60.799 . . . . . . . . 180 THR CA . 51810 1 589 . 1 . 1 155 155 THR CB C 13 70.119 . . . . . . . . 180 THR CB . 51810 1 590 . 1 . 1 155 155 THR N N 15 117.866 . . . . . . . . 180 THR N . 51810 1 591 . 1 . 1 156 156 ILE H H 1 9.475 . . . . . . . . 181 ILE H . 51810 1 592 . 1 . 1 156 156 ILE C C 13 173.475 . . . . . . . . 181 ILE C . 51810 1 593 . 1 . 1 156 156 ILE CA C 13 58.137 . . . . . . . . 181 ILE CA . 51810 1 594 . 1 . 1 156 156 ILE CB C 13 37.077 . . . . . . . . 181 ILE CB . 51810 1 595 . 1 . 1 156 156 ILE N N 15 107.408 . . . . . . . . 181 ILE N . 51810 1 596 . 1 . 1 157 157 ASN H H 1 8.891 . . . . . . . . 182 ASN H . 51810 1 597 . 1 . 1 157 157 ASN C C 13 176.129 . . . . . . . . 182 ASN C . 51810 1 598 . 1 . 1 157 157 ASN CA C 13 51.121 . . . . . . . . 182 ASN CA . 51810 1 599 . 1 . 1 157 157 ASN CB C 13 39.199 . . . . . . . . 182 ASN CB . 51810 1 600 . 1 . 1 157 157 ASN N N 15 126.116 . . . . . . . . 182 ASN N . 51810 1 601 . 1 . 1 158 158 PHE H H 1 8.519 . . . . . . . . 183 PHE H . 51810 1 602 . 1 . 1 158 158 PHE C C 13 176.724 . . . . . . . . 183 PHE C . 51810 1 603 . 1 . 1 158 158 PHE CA C 13 60.38 . . . . . . . . 183 PHE CA . 51810 1 604 . 1 . 1 158 158 PHE CB C 13 38.292 . . . . . . . . 183 PHE CB . 51810 1 605 . 1 . 1 158 158 PHE N N 15 122.717 . . . . . . . . 183 PHE N . 51810 1 606 . 1 . 1 159 159 SER H H 1 8.548 . . . . . . . . 184 SER H . 51810 1 607 . 1 . 1 159 159 SER C C 13 61.893 . . . . . . . . 184 SER C . 51810 1 608 . 1 . 1 159 159 SER CB C 13 61.893 . . . . . . . . 184 SER CB . 51810 1 609 . 1 . 1 159 159 SER N N 15 116.282 . . . . . . . . 184 SER N . 51810 1 610 . 1 . 1 160 160 ASN H H 1 7.429 . . . . . . . . 185 ASN H . 51810 1 611 . 1 . 1 160 160 ASN C C 13 174.405 . . . . . . . . 185 ASN C . 51810 1 612 . 1 . 1 160 160 ASN CA C 13 51.117 . . . . . . . . 185 ASN CA . 51810 1 613 . 1 . 1 160 160 ASN CB C 13 38.046 . . . . . . . . 185 ASN CB . 51810 1 614 . 1 . 1 160 160 ASN N N 15 115.935 . . . . . . . . 185 ASN N . 51810 1 615 . 1 . 1 161 161 LEU H H 1 7.646 . . . . . . . . 186 LEU H . 51810 1 616 . 1 . 1 161 161 LEU C C 13 176.377 . . . . . . . . 186 LEU C . 51810 1 617 . 1 . 1 161 161 LEU CA C 13 55.474 . . . . . . . . 186 LEU CA . 51810 1 618 . 1 . 1 161 161 LEU CB C 13 36.835 . . . . . . . . 186 LEU CB . 51810 1 619 . 1 . 1 161 161 LEU N N 15 118.349 . . . . . . . . 186 LEU N . 51810 1 620 . 1 . 1 162 162 THR H H 1 8.215 . . . . . . . . 187 THR H . 51810 1 621 . 1 . 1 162 162 THR C C 13 173.115 . . . . . . . . 187 THR C . 51810 1 622 . 1 . 1 162 162 THR CA C 13 59.226 . . . . . . . . 187 THR CA . 51810 1 623 . 1 . 1 162 162 THR CB C 13 73.81 . . . . . . . . 187 THR CB . 51810 1 624 . 1 . 1 162 162 THR N N 15 109.868 . . . . . . . . 187 THR N . 51810 1 625 . 1 . 1 163 163 GLN H H 1 9.354 . . . . . . . . 188 GLN H . 51810 1 626 . 1 . 1 163 163 GLN C C 13 173.487 . . . . . . . . 188 GLN C . 51810 1 627 . 1 . 1 163 163 GLN CA C 13 53.356 . . . . . . . . 188 GLN CA . 51810 1 628 . 1 . 1 163 163 GLN CB C 13 31.994 . . . . . . . . 188 GLN CB . 51810 1 629 . 1 . 1 163 163 GLN N N 15 119.256 . . . . . . . . 188 GLN N . 51810 1 630 . 1 . 1 164 164 LEU H H 1 9.104 . . . . . . . . 189 LEU H . 51810 1 631 . 1 . 1 164 164 LEU C C 13 175.992 . . . . . . . . 189 LEU C . 51810 1 632 . 1 . 1 164 164 LEU CA C 13 53.36 . . . . . . . . 189 LEU CA . 51810 1 633 . 1 . 1 164 164 LEU CB C 13 44.222 . . . . . . . . 189 LEU CB . 51810 1 634 . 1 . 1 164 164 LEU N N 15 129.106 . . . . . . . . 189 LEU N . 51810 1 635 . 1 . 1 165 165 ARG H H 1 7.846 . . . . . . . . 190 ARG H . 51810 1 636 . 1 . 1 165 165 ARG C C 13 174.368 . . . . . . . . 190 ARG C . 51810 1 637 . 1 . 1 165 165 ARG CA C 13 54.994 . . . . . . . . 190 ARG CA . 51810 1 638 . 1 . 1 165 165 ARG CB C 13 28.121 . . . . . . . . 190 ARG CB . 51810 1 639 . 1 . 1 165 165 ARG N N 15 128.797 . . . . . . . . 190 ARG N . 51810 1 640 . 1 . 1 166 166 GLN H H 1 8.476 . . . . . . . . 191 GLN H . 51810 1 641 . 1 . 1 166 166 GLN C C 13 176.03 . . . . . . . . 191 GLN C . 51810 1 642 . 1 . 1 166 166 GLN CA C 13 53.36 . . . . . . . . 191 GLN CA . 51810 1 643 . 1 . 1 166 166 GLN CB C 13 26.068 . . . . . . . . 191 GLN CB . 51810 1 644 . 1 . 1 166 166 GLN N N 15 128.203 . . . . . . . . 191 GLN N . 51810 1 645 . 1 . 1 168 168 SER H H 1 8.588 . . . . . . . . 193 SER H . 51810 1 646 . 1 . 1 168 168 SER C C 13 57.415 . . . . . . . . 193 SER C . 51810 1 647 . 1 . 1 168 168 SER CA C 13 57.415 . . . . . . . . 193 SER CA . 51810 1 648 . 1 . 1 168 168 SER CB C 13 64.071 . . . . . . . . 193 SER CB . 51810 1 649 . 1 . 1 168 168 SER N N 15 117.167 . . . . . . . . 193 SER N . 51810 1 650 . 1 . 1 169 169 GLY H H 1 8.667 . . . . . . . . 194 GLY H . 51810 1 651 . 1 . 1 169 169 GLY C C 13 43.674 . . . . . . . . 194 GLY C . 51810 1 652 . 1 . 1 169 169 GLY CA C 13 43.674 . . . . . . . . 194 GLY CA . 51810 1 653 . 1 . 1 169 169 GLY N N 15 111.722 . . . . . . . . 194 GLY N . 51810 1 654 . 1 . 1 171 171 MET H H 1 8.784 . . . . . . . . 196 MET H . 51810 1 655 . 1 . 1 171 171 MET C C 13 175.521 . . . . . . . . 196 MET C . 51810 1 656 . 1 . 1 171 171 MET CA C 13 54.147 . . . . . . . . 196 MET CA . 51810 1 657 . 1 . 1 171 171 MET CB C 13 34.782 . . . . . . . . 196 MET CB . 51810 1 658 . 1 . 1 171 171 MET N N 15 123.208 . . . . . . . . 196 MET N . 51810 1 659 . 1 . 1 172 172 ARG H H 1 9.089 . . . . . . . . 197 ARG H . 51810 1 660 . 1 . 1 172 172 ARG C C 13 175.802 . . . . . . . . 197 ARG C . 51810 1 661 . 1 . 1 172 172 ARG CA C 13 53.36 . . . . . . . . 197 ARG CA . 51810 1 662 . 1 . 1 172 172 ARG CB C 13 33.027 . . . . . . . . 197 ARG CB . 51810 1 663 . 1 . 1 172 172 ARG N N 15 124.165 . . . . . . . . 197 ARG N . 51810 1 664 . 1 . 1 173 173 SER H H 1 8.784 . . . . . . . . 198 SER H . 51810 1 665 . 1 . 1 173 173 SER C C 13 59.771 . . . . . . . . 198 SER C . 51810 1 666 . 1 . 1 173 173 SER CA C 13 59.771 . . . . . . . . 198 SER CA . 51810 1 667 . 1 . 1 173 173 SER CB C 13 64.007 . . . . . . . . 198 SER CB . 51810 1 668 . 1 . 1 173 173 SER N N 15 118.488 . . . . . . . . 198 SER N . 51810 1 669 . 1 . 1 174 174 ILE H H 1 7.92 . . . . . . . . 199 ILE H . 51810 1 670 . 1 . 1 174 174 ILE C C 13 174.343 . . . . . . . . 199 ILE C . 51810 1 671 . 1 . 1 174 174 ILE CB C 13 40.95 . . . . . . . . 199 ILE CB . 51810 1 672 . 1 . 1 174 174 ILE N N 15 115.564 . . . . . . . . 199 ILE N . 51810 1 673 . 1 . 1 175 175 ARG H H 1 9.04 . . . . . . . . 200 ARG H . 51810 1 674 . 1 . 1 175 175 ARG C C 13 183.805 . . . . . . . . 200 ARG C . 51810 1 675 . 1 . 1 175 175 ARG CA C 13 54.99 . . . . . . . . 200 ARG CA . 51810 1 676 . 1 . 1 175 175 ARG CB C 13 32.418 . . . . . . . . 200 ARG CB . 51810 1 677 . 1 . 1 175 175 ARG N N 15 115.769 . . . . . . . . 200 ARG N . 51810 1 678 . 1 . 1 176 176 ARG H H 1 7.915 . . . . . . . . 201 ARG H . 51810 1 679 . 1 . 1 176 176 ARG C C 13 176.178 . . . . . . . . 201 ARG C . 51810 1 680 . 1 . 1 176 176 ARG CA C 13 52.936 . . . . . . . . 201 ARG CA . 51810 1 681 . 1 . 1 176 176 ARG CB C 13 29.154 . . . . . . . . 201 ARG CB . 51810 1 682 . 1 . 1 176 176 ARG N N 15 126.026 . . . . . . . . 201 ARG N . 51810 1 683 . 1 . 1 177 177 THR H H 1 8.602 . . . . . . . . 202 THR H . 51810 1 684 . 1 . 1 177 177 THR C C 13 172.495 . . . . . . . . 202 THR C . 51810 1 685 . 1 . 1 177 177 THR CA C 13 59.166 . . . . . . . . 202 THR CA . 51810 1 686 . 1 . 1 177 177 THR CB C 13 71.45 . . . . . . . . 202 THR CB . 51810 1 687 . 1 . 1 177 177 THR N N 15 120.841 . . . . . . . . 202 THR N . 51810 1 688 . 1 . 1 178 178 GLN H H 1 8.017 . . . . . . . . 203 GLN H . 51810 1 689 . 1 . 1 178 178 GLN C C 13 175.347 . . . . . . . . 203 GLN C . 51810 1 690 . 1 . 1 178 178 GLN CA C 13 54.324 . . . . . . . . 203 GLN CA . 51810 1 691 . 1 . 1 178 178 GLN CB C 13 29.634 . . . . . . . . 203 GLN CB . 51810 1 692 . 1 . 1 178 178 GLN N N 15 120.12 . . . . . . . . 203 GLN N . 51810 1 693 . 1 . 1 179 179 GLN H H 1 8.385 . . . . . . . . 204 GLN H . 51810 1 694 . 1 . 1 179 179 GLN C C 13 173.128 . . . . . . . . 204 GLN C . 51810 1 695 . 1 . 1 179 179 GLN CA C 13 53.118 . . . . . . . . 204 GLN CA . 51810 1 696 . 1 . 1 179 179 GLN N N 15 121.151 . . . . . . . . 204 GLN N . 51810 1 697 . 1 . 1 180 180 ALA H H 1 8.056 . . . . . . . . 205 ALA H . 51810 1 698 . 1 . 1 180 180 ALA C C 13 175.137 . . . . . . . . 205 ALA C . 51810 1 699 . 1 . 1 180 180 ALA CA C 13 50.455 . . . . . . . . 205 ALA CA . 51810 1 700 . 1 . 1 180 180 ALA CB C 13 16.809 . . . . . . . . 205 ALA CB . 51810 1 701 . 1 . 1 180 180 ALA N N 15 123.528 . . . . . . . . 205 ALA N . 51810 1 702 . 1 . 1 182 182 TYR H H 1 8.299 . . . . . . . . 207 TYR H . 51810 1 703 . 1 . 1 182 182 TYR C C 13 175.658 . . . . . . . . 207 TYR C . 51810 1 704 . 1 . 1 182 182 TYR CA C 13 52.513 . . . . . . . . 207 TYR CA . 51810 1 705 . 1 . 1 182 182 TYR CB C 13 40.712 . . . . . . . . 207 TYR CB . 51810 1 706 . 1 . 1 182 182 TYR N N 15 124.038 . . . . . . . . 207 TYR N . 51810 1 707 . 1 . 1 184 184 LEU H H 1 8.027 . . . . . . . . 209 LEU H . 51810 1 708 . 1 . 1 184 184 LEU C C 13 177.642 . . . . . . . . 209 LEU C . 51810 1 709 . 1 . 1 184 184 LEU CA C 13 54.268 . . . . . . . . 209 LEU CA . 51810 1 710 . 1 . 1 184 184 LEU CB C 13 42.528 . . . . . . . . 209 LEU CB . 51810 1 711 . 1 . 1 184 184 LEU N N 15 123.591 . . . . . . . . 209 LEU N . 51810 1 712 . 1 . 1 185 185 VAL H H 1 9.092 . . . . . . . . 210 VAL H . 51810 1 713 . 1 . 1 185 185 VAL C C 13 174.12 . . . . . . . . 210 VAL C . 51810 1 714 . 1 . 1 185 185 VAL CA C 13 59.589 . . . . . . . . 210 VAL CA . 51810 1 715 . 1 . 1 185 185 VAL CB C 13 34.233 . . . . . . . . 210 VAL CB . 51810 1 716 . 1 . 1 185 185 VAL N N 15 122.496 . . . . . . . . 210 VAL N . 51810 1 717 . 1 . 1 186 186 LYS H H 1 8.266 . . . . . . . . 211 LYS H . 51810 1 718 . 1 . 1 186 186 LYS C C 13 176.067 . . . . . . . . 211 LYS C . 51810 1 719 . 1 . 1 186 186 LYS CA C 13 55.236 . . . . . . . . 211 LYS CA . 51810 1 720 . 1 . 1 186 186 LYS CB C 13 31.695 . . . . . . . . 211 LYS CB . 51810 1 721 . 1 . 1 186 186 LYS N N 15 124.423 . . . . . . . . 211 LYS N . 51810 1 722 . 1 . 1 187 187 LEU H H 1 8.157 . . . . . . . . 212 LEU H . 51810 1 723 . 1 . 1 187 187 LEU C C 13 178.039 . . . . . . . . 212 LEU C . 51810 1 724 . 1 . 1 187 187 LEU CA C 13 53.3 . . . . . . . . 212 LEU CA . 51810 1 725 . 1 . 1 187 187 LEU CB C 13 42.165 . . . . . . . . 212 LEU CB . 51810 1 726 . 1 . 1 187 187 LEU N N 15 125.541 . . . . . . . . 212 LEU N . 51810 1 727 . 1 . 1 188 188 THR H H 1 8.306 . . . . . . . . 213 THR H . 51810 1 728 . 1 . 1 188 188 THR C C 13 59.71 . . . . . . . . 213 THR C . 51810 1 729 . 1 . 1 188 188 THR CA C 13 59.71 . . . . . . . . 213 THR CA . 51810 1 730 . 1 . 1 188 188 THR CB C 13 67.759 . . . . . . . . 213 THR CB . 51810 1 731 . 1 . 1 188 188 THR N N 15 114.205 . . . . . . . . 213 THR N . 51810 1 732 . 1 . 1 190 190 GLN H H 1 8.176 . . . . . . . . 215 GLN H . 51810 1 733 . 1 . 1 190 190 GLN C C 13 58.318 . . . . . . . . 215 GLN C . 51810 1 734 . 1 . 1 190 190 GLN CA C 13 58.318 . . . . . . . . 215 GLN CA . 51810 1 735 . 1 . 1 190 190 GLN CB C 13 27.274 . . . . . . . . 215 GLN CB . 51810 1 736 . 1 . 1 190 190 GLN N N 15 116.64 . . . . . . . . 215 GLN N . 51810 1 737 . 1 . 1 191 191 GLN H H 1 7.654 . . . . . . . . 216 GLN H . 51810 1 738 . 1 . 1 191 191 GLN C C 13 57.229 . . . . . . . . 216 GLN C . 51810 1 739 . 1 . 1 191 191 GLN CA C 13 57.229 . . . . . . . . 216 GLN CA . 51810 1 740 . 1 . 1 191 191 GLN CB C 13 28.484 . . . . . . . . 216 GLN CB . 51810 1 741 . 1 . 1 191 191 GLN N N 15 120.052 . . . . . . . . 216 GLN N . 51810 1 742 . 1 . 1 192 192 ALA H H 1 8.503 . . . . . . . . 217 ALA H . 51810 1 743 . 1 . 1 192 192 ALA C C 13 179.613 . . . . . . . . 217 ALA C . 51810 1 744 . 1 . 1 192 192 ALA CA C 13 53.961 . . . . . . . . 217 ALA CA . 51810 1 745 . 1 . 1 192 192 ALA CB C 13 17.107 . . . . . . . . 217 ALA CB . 51810 1 746 . 1 . 1 192 192 ALA N N 15 122.711 . . . . . . . . 217 ALA N . 51810 1 747 . 1 . 1 193 193 ASN H H 1 7.947 . . . . . . . . 218 ASN H . 51810 1 748 . 1 . 1 193 193 ASN C C 13 177.158 . . . . . . . . 218 ASN C . 51810 1 749 . 1 . 1 193 193 ASN CA C 13 54.748 . . . . . . . . 218 ASN CA . 51810 1 750 . 1 . 1 193 193 ASN CB C 13 37.743 . . . . . . . . 218 ASN CB . 51810 1 751 . 1 . 1 193 193 ASN N N 15 117.137 . . . . . . . . 218 ASN N . 51810 1 752 . 1 . 1 194 194 GLN H H 1 7.728 . . . . . . . . 219 GLN H . 51810 1 753 . 1 . 1 194 194 GLN C C 13 177.369 . . . . . . . . 219 GLN C . 51810 1 754 . 1 . 1 194 194 GLN CA C 13 57.047 . . . . . . . . 219 GLN CA . 51810 1 755 . 1 . 1 194 194 GLN CB C 13 27.641 . . . . . . . . 219 GLN CB . 51810 1 756 . 1 . 1 194 194 GLN N N 15 119.834 . . . . . . . . 219 GLN N . 51810 1 757 . 1 . 1 195 195 LEU H H 1 7.656 . . . . . . . . 220 LEU H . 51810 1 758 . 1 . 1 195 195 LEU C C 13 178.274 . . . . . . . . 220 LEU C . 51810 1 759 . 1 . 1 195 195 LEU CA C 13 56.079 . . . . . . . . 220 LEU CA . 51810 1 760 . 1 . 1 195 195 LEU CB C 13 40.89 . . . . . . . . 220 LEU CB . 51810 1 761 . 1 . 1 195 195 LEU N N 15 120.904 . . . . . . . . 220 LEU N . 51810 1 762 . 1 . 1 196 196 LYS H H 1 7.728 . . . . . . . . 221 LYS H . 51810 1 763 . 1 . 1 196 196 LYS C C 13 177.377 . . . . . . . . 221 LYS C . 51810 1 764 . 1 . 1 196 196 LYS CB C 13 31.514 . . . . . . . . 221 LYS CB . 51810 1 765 . 1 . 1 196 196 LYS N N 15 119.832 . . . . . . . . 221 LYS N . 51810 1 766 . 1 . 1 199 199 SER H H 1 7.741 . . . . . . . . 224 SER H . 51810 1 767 . 1 . 1 199 199 SER C C 13 57.838 . . . . . . . . 224 SER C . 51810 1 768 . 1 . 1 199 199 SER CA C 13 57.838 . . . . . . . . 224 SER CA . 51810 1 769 . 1 . 1 199 199 SER CB C 13 63.103 . . . . . . . . 224 SER CB . 51810 1 770 . 1 . 1 199 199 SER N N 15 114.771 . . . . . . . . 224 SER N . 51810 1 771 . 1 . 1 200 200 ALA H H 1 7.792 . . . . . . . . 225 ALA H . 51810 1 772 . 1 . 1 200 200 ALA C C 13 182.528 . . . . . . . . 225 ALA C . 51810 1 773 . 1 . 1 200 200 ALA CA C 13 53.417 . . . . . . . . 225 ALA CA . 51810 1 774 . 1 . 1 200 200 ALA CB C 13 19.104 . . . . . . . . 225 ALA CB . 51810 1 775 . 1 . 1 200 200 ALA N N 15 107.737 . . . . . . . . 225 ALA N . 51810 1 776 . 1 . 1 211 211 LYS H H 1 8.29 . . . . . . . . 236 LYS H . 51810 1 777 . 1 . 1 211 211 LYS C C 13 55.539 . . . . . . . . 236 LYS C . 51810 1 778 . 1 . 1 211 211 LYS CA C 13 55.539 . . . . . . . . 236 LYS CA . 51810 1 779 . 1 . 1 211 211 LYS CB C 13 31.635 . . . . . . . . 236 LYS CB . 51810 1 780 . 1 . 1 211 211 LYS N N 15 122.041 . . . . . . . . 236 LYS N . 51810 1 781 . 1 . 1 212 212 LEU H H 1 8.207 . . . . . . . . 237 LEU H . 51810 1 782 . 1 . 1 212 212 LEU C C 13 177.927 . . . . . . . . 237 LEU C . 51810 1 783 . 1 . 1 212 212 LEU CA C 13 54.933 . . . . . . . . 237 LEU CA . 51810 1 784 . 1 . 1 212 212 LEU CB C 13 41.136 . . . . . . . . 237 LEU CB . 51810 1 785 . 1 . 1 212 212 LEU N N 15 124.15 . . . . . . . . 237 LEU N . 51810 1 786 . 1 . 1 213 213 GLY H H 1 8.312 . . . . . . . . 238 GLY H . 51810 1 787 . 1 . 1 213 213 GLY C C 13 44.884 . . . . . . . . 238 GLY C . 51810 1 788 . 1 . 1 213 213 GLY CA C 13 44.884 . . . . . . . . 238 GLY CA . 51810 1 789 . 1 . 1 213 213 GLY N N 15 110.003 . . . . . . . . 238 GLY N . 51810 1 790 . 1 . 1 214 214 ASP H H 1 8.102 . . . . . . . . 239 ASP H . 51810 1 791 . 1 . 1 214 214 ASP C C 13 176.848 . . . . . . . . 239 ASP C . 51810 1 792 . 1 . 1 214 214 ASP CA C 13 53.659 . . . . . . . . 239 ASP CA . 51810 1 793 . 1 . 1 214 214 ASP CB C 13 40.769 . . . . . . . . 239 ASP CB . 51810 1 794 . 1 . 1 214 214 ASP N N 15 121.002 . . . . . . . . 239 ASP N . 51810 1 795 . 1 . 1 215 215 THR H H 1 8.111 . . . . . . . . 240 THR H . 51810 1 796 . 1 . 1 215 215 THR C C 13 8.111 . . . . . . . . 240 THR C . 51810 1 797 . 1 . 1 215 215 THR N N 15 115.291 . . . . . . . . 240 THR N . 51810 1 798 . 1 . 1 216 216 LYS H H 1 8.241 . . . . . . . . 241 LYS H . 51810 1 799 . 1 . 1 216 216 LYS C C 13 176.935 . . . . . . . . 241 LYS C . 51810 1 800 . 1 . 1 216 216 LYS CA C 13 56.204 . . . . . . . . 241 LYS CA . 51810 1 801 . 1 . 1 216 216 LYS CB C 13 31.574 . . . . . . . . 241 LYS CB . 51810 1 802 . 1 . 1 216 216 LYS N N 15 123.449 . . . . . . . . 241 LYS N . 51810 1 803 . 1 . 1 217 217 SER H H 1 8.1 . . . . . . . . 242 SER H . 51810 1 804 . 1 . 1 217 217 SER C C 13 58.08 . . . . . . . . 242 SER C . 51810 1 805 . 1 . 1 217 217 SER CA C 13 58.08 . . . . . . . . 242 SER CA . 51810 1 806 . 1 . 1 217 217 SER CB C 13 62.861 . . . . . . . . 242 SER CB . 51810 1 807 . 1 . 1 217 217 SER N N 15 116.394 . . . . . . . . 242 SER N . 51810 1 808 . 1 . 1 218 218 LEU H H 1 8.05 . . . . . . . . 243 LEU H . 51810 1 809 . 1 . 1 218 218 LEU C C 13 177.059 . . . . . . . . 243 LEU C . 51810 1 810 . 1 . 1 218 218 LEU CA C 13 54.812 . . . . . . . . 243 LEU CA . 51810 1 811 . 1 . 1 218 218 LEU CB C 13 41.136 . . . . . . . . 243 LEU CB . 51810 1 812 . 1 . 1 218 218 LEU N N 15 124.088 . . . . . . . . 243 LEU N . 51810 1 813 . 1 . 1 236 236 VAL H H 1 7.69 . . . . . . . . 261 VAL H . 51810 1 814 . 1 . 1 236 236 VAL C C 13 174.885 . . . . . . . . 261 VAL C . 51810 1 815 . 1 . 1 236 236 VAL CA C 13 63.103 . . . . . . . . 261 VAL CA . 51810 1 816 . 1 . 1 236 236 VAL CB C 13 31.998 . . . . . . . . 261 VAL CB . 51810 1 817 . 1 . 1 236 236 VAL N N 15 126.274 . . . . . . . . 261 VAL N . 51810 1 stop_ save_