data_54056 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 54056 _Entry.Title ; Backbone chemical shifts of apo yeast chorismate mutase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-10-13 _Entry.Accession_date 2026-10-13 _Entry.Last_release_date 2026-10-13 _Entry.Original_release_date 2026-10-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.14.1 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Yeast chorismate mutase (CM), homodimeric. Form is apoCM (no ligands) in solution condition 150 mM NaCl, 25 mM NaPO4, 1 mM EDTA, 1 mM DTT, 25 deg Celcius. ; _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 Paul Sapienza . J. . . 54056 2 Andrew Lee . L. . . 54056 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 54056 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 419 54056 '15N chemical shifts' 145 54056 '1H chemical shifts' 145 54056 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 . . 2026-10-30 . original BMRB . 54056 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 54061 'Backbone and ILVA methyl chemical shift assignments of yeast chorismate mutase bound to tryptophan' 54056 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 54056 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37695919 _Citation.DOI 10.1073/pnas.2308338120 _Citation.Full_citation . _Citation.Title ; Mixed, nonclassical behavior in a classic allosteric protein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 120 _Citation.Journal_issue 38 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e2308338120 _Citation.Page_last e2308338120 _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 Paul Sapienza P. J. . . 54056 1 2 Jeffrey Bonin J. P. . . 54056 1 3 H Jinasena . . . . 54056 1 4 Kelin Li K. . . . 54056 1 5 Henry Dieckhaus H. . . . 54056 1 6 Konstantin Popov K. I. . . 54056 1 7 Jeffrey Aube J. . . . 54056 1 8 Andrew Lee A. L. . . 54056 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 54056 _Assembly.ID 1 _Assembly.Name 'yeast chorismate mutase apo homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'chorismate mutase apo, chain 1' 1 $entity_1 . . yes native no no . . . 54056 1 2 'chorismate mutase apo, chain 2' 1 $entity_1 . . yes native no no . . . 54056 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'isomerizes chorismate to prephenate' 54056 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 54056 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'chorismate mutase apo' _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 ; MDFTKPETVLNLQNIRDELV RMEDSIIFKFIERSHFATCP SVYEANHPGLEIPNFKGSFL DWALSNLEIAHSRIRRFESP DETPFFPDKIQKSFLPSINY PQILAPYAPEVNYNDKIKKV YIEKIIPLISKRDGDDKNNF GSVATRDIECLQSLSRRIHF GKFVAEAKFQSDIPLYTKLI KSKDVEGIMKNITNSAVEEK ILERLTKKAEVYGVDPTNES GERRITPEYLVKIYKEIVIP ITKEVEVEYLLRRLEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 256 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . MET . 54056 1 2 . ASP . 54056 1 3 . PHE . 54056 1 4 . THR . 54056 1 5 . LYS . 54056 1 6 . PRO . 54056 1 7 . GLU . 54056 1 8 . THR . 54056 1 9 . VAL . 54056 1 10 . LEU . 54056 1 11 . ASN . 54056 1 12 . LEU . 54056 1 13 . GLN . 54056 1 14 . ASN . 54056 1 15 . ILE . 54056 1 16 . ARG . 54056 1 17 . ASP . 54056 1 18 . GLU . 54056 1 19 . LEU . 54056 1 20 . VAL . 54056 1 21 . ARG . 54056 1 22 . MET . 54056 1 23 . GLU . 54056 1 24 . ASP . 54056 1 25 . SER . 54056 1 26 . ILE . 54056 1 27 . ILE . 54056 1 28 . PHE . 54056 1 29 . LYS . 54056 1 30 . PHE . 54056 1 31 . ILE . 54056 1 32 . GLU . 54056 1 33 . ARG . 54056 1 34 . SER . 54056 1 35 . HIS . 54056 1 36 . PHE . 54056 1 37 . ALA . 54056 1 38 . THR . 54056 1 39 . CYS . 54056 1 40 . PRO . 54056 1 41 . SER . 54056 1 42 . VAL . 54056 1 43 . TYR . 54056 1 44 . GLU . 54056 1 45 . ALA . 54056 1 46 . ASN . 54056 1 47 . HIS . 54056 1 48 . PRO . 54056 1 49 . GLY . 54056 1 50 . LEU . 54056 1 51 . GLU . 54056 1 52 . ILE . 54056 1 53 . PRO . 54056 1 54 . ASN . 54056 1 55 . PHE . 54056 1 56 . LYS . 54056 1 57 . GLY . 54056 1 58 . SER . 54056 1 59 . PHE . 54056 1 60 . LEU . 54056 1 61 . ASP . 54056 1 62 . TRP . 54056 1 63 . ALA . 54056 1 64 . LEU . 54056 1 65 . SER . 54056 1 66 . ASN . 54056 1 67 . LEU . 54056 1 68 . GLU . 54056 1 69 . ILE . 54056 1 70 . ALA . 54056 1 71 . HIS . 54056 1 72 . SER . 54056 1 73 . ARG . 54056 1 74 . ILE . 54056 1 75 . ARG . 54056 1 76 . ARG . 54056 1 77 . PHE . 54056 1 78 . GLU . 54056 1 79 . SER . 54056 1 80 . PRO . 54056 1 81 . ASP . 54056 1 82 . GLU . 54056 1 83 . THR . 54056 1 84 . PRO . 54056 1 85 . PHE . 54056 1 86 . PHE . 54056 1 87 . PRO . 54056 1 88 . ASP . 54056 1 89 . LYS . 54056 1 90 . ILE . 54056 1 91 . GLN . 54056 1 92 . LYS . 54056 1 93 . SER . 54056 1 94 . PHE . 54056 1 95 . LEU . 54056 1 96 . PRO . 54056 1 97 . SER . 54056 1 98 . ILE . 54056 1 99 . ASN . 54056 1 100 . TYR . 54056 1 101 . PRO . 54056 1 102 . GLN . 54056 1 103 . ILE . 54056 1 104 . LEU . 54056 1 105 . ALA . 54056 1 106 . PRO . 54056 1 107 . TYR . 54056 1 108 . ALA . 54056 1 109 . PRO . 54056 1 110 . GLU . 54056 1 111 . VAL . 54056 1 112 . ASN . 54056 1 113 . TYR . 54056 1 114 . ASN . 54056 1 115 . ASP . 54056 1 116 . LYS . 54056 1 117 . ILE . 54056 1 118 . LYS . 54056 1 119 . LYS . 54056 1 120 . VAL . 54056 1 121 . TYR . 54056 1 122 . ILE . 54056 1 123 . GLU . 54056 1 124 . LYS . 54056 1 125 . ILE . 54056 1 126 . ILE . 54056 1 127 . PRO . 54056 1 128 . LEU . 54056 1 129 . ILE . 54056 1 130 . SER . 54056 1 131 . LYS . 54056 1 132 . ARG . 54056 1 133 . ASP . 54056 1 134 . GLY . 54056 1 135 . ASP . 54056 1 136 . ASP . 54056 1 137 . LYS . 54056 1 138 . ASN . 54056 1 139 . ASN . 54056 1 140 . PHE . 54056 1 141 . GLY . 54056 1 142 . SER . 54056 1 143 . VAL . 54056 1 144 . ALA . 54056 1 145 . THR . 54056 1 146 . ARG . 54056 1 147 . ASP . 54056 1 148 . ILE . 54056 1 149 . GLU . 54056 1 150 . CYS . 54056 1 151 . LEU . 54056 1 152 . GLN . 54056 1 153 . SER . 54056 1 154 . LEU . 54056 1 155 . SER . 54056 1 156 . ARG . 54056 1 157 . ARG . 54056 1 158 . ILE . 54056 1 159 . HIS . 54056 1 160 . PHE . 54056 1 161 . GLY . 54056 1 162 . LYS . 54056 1 163 . PHE . 54056 1 164 . VAL . 54056 1 165 . ALA . 54056 1 166 . GLU . 54056 1 167 . ALA . 54056 1 168 . LYS . 54056 1 169 . PHE . 54056 1 170 . GLN . 54056 1 171 . SER . 54056 1 172 . ASP . 54056 1 173 . ILE . 54056 1 174 . PRO . 54056 1 175 . LEU . 54056 1 176 . TYR . 54056 1 177 . THR . 54056 1 178 . LYS . 54056 1 179 . LEU . 54056 1 180 . ILE . 54056 1 181 . LYS . 54056 1 182 . SER . 54056 1 183 . LYS . 54056 1 184 . ASP . 54056 1 185 . VAL . 54056 1 186 . GLU . 54056 1 187 . GLY . 54056 1 188 . ILE . 54056 1 189 . MET . 54056 1 190 . LYS . 54056 1 191 . ASN . 54056 1 192 . ILE . 54056 1 193 . THR . 54056 1 194 . ASN . 54056 1 195 . SER . 54056 1 196 . ALA . 54056 1 197 . VAL . 54056 1 198 . GLU . 54056 1 199 . GLU . 54056 1 200 . LYS . 54056 1 201 . ILE . 54056 1 202 . LEU . 54056 1 203 . GLU . 54056 1 204 . ARG . 54056 1 205 . LEU . 54056 1 206 . THR . 54056 1 207 . LYS . 54056 1 208 . LYS . 54056 1 209 . ALA . 54056 1 210 . GLU . 54056 1 211 . VAL . 54056 1 212 . TYR . 54056 1 213 . GLY . 54056 1 214 . VAL . 54056 1 215 . ASP . 54056 1 216 . PRO . 54056 1 217 . THR . 54056 1 218 . ASN . 54056 1 219 . GLU . 54056 1 220 . SER . 54056 1 221 . ILE . 54056 1 222 . GLU . 54056 1 223 . ARG . 54056 1 224 . ARG . 54056 1 225 . ILE . 54056 1 226 . THR . 54056 1 227 . PRO . 54056 1 228 . GLU . 54056 1 229 . TYR . 54056 1 230 . LEU . 54056 1 231 . VAL . 54056 1 232 . LYS . 54056 1 233 . ILE . 54056 1 234 . TYR . 54056 1 235 . LYS . 54056 1 236 . GLU . 54056 1 237 . ILE . 54056 1 238 . VAL . 54056 1 239 . ILE . 54056 1 240 . PRO . 54056 1 241 . ILE . 54056 1 242 . THR . 54056 1 243 . LYS . 54056 1 244 . GLU . 54056 1 245 . VAL . 54056 1 246 . GLU . 54056 1 247 . VAL . 54056 1 248 . GLU . 54056 1 249 . TYR . 54056 1 250 . LEU . 54056 1 251 . LEU . 54056 1 252 . ARG . 54056 1 253 . ARG . 54056 1 254 . LEU . 54056 1 255 . GLU . 54056 1 256 . GLU . 54056 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 54056 1 . ASP 2 2 54056 1 . PHE 3 3 54056 1 . THR 4 4 54056 1 . LYS 5 5 54056 1 . PRO 6 6 54056 1 . GLU 7 7 54056 1 . THR 8 8 54056 1 . VAL 9 9 54056 1 . LEU 10 10 54056 1 . ASN 11 11 54056 1 . LEU 12 12 54056 1 . GLN 13 13 54056 1 . ASN 14 14 54056 1 . ILE 15 15 54056 1 . ARG 16 16 54056 1 . ASP 17 17 54056 1 . GLU 18 18 54056 1 . LEU 19 19 54056 1 . VAL 20 20 54056 1 . ARG 21 21 54056 1 . MET 22 22 54056 1 . GLU 23 23 54056 1 . ASP 24 24 54056 1 . SER 25 25 54056 1 . ILE 26 26 54056 1 . ILE 27 27 54056 1 . PHE 28 28 54056 1 . LYS 29 29 54056 1 . PHE 30 30 54056 1 . ILE 31 31 54056 1 . GLU 32 32 54056 1 . ARG 33 33 54056 1 . SER 34 34 54056 1 . HIS 35 35 54056 1 . PHE 36 36 54056 1 . ALA 37 37 54056 1 . THR 38 38 54056 1 . CYS 39 39 54056 1 . PRO 40 40 54056 1 . SER 41 41 54056 1 . VAL 42 42 54056 1 . TYR 43 43 54056 1 . GLU 44 44 54056 1 . ALA 45 45 54056 1 . ASN 46 46 54056 1 . HIS 47 47 54056 1 . PRO 48 48 54056 1 . GLY 49 49 54056 1 . LEU 50 50 54056 1 . GLU 51 51 54056 1 . ILE 52 52 54056 1 . PRO 53 53 54056 1 . ASN 54 54 54056 1 . PHE 55 55 54056 1 . LYS 56 56 54056 1 . GLY 57 57 54056 1 . SER 58 58 54056 1 . PHE 59 59 54056 1 . LEU 60 60 54056 1 . ASP 61 61 54056 1 . TRP 62 62 54056 1 . ALA 63 63 54056 1 . LEU 64 64 54056 1 . SER 65 65 54056 1 . ASN 66 66 54056 1 . LEU 67 67 54056 1 . GLU 68 68 54056 1 . ILE 69 69 54056 1 . ALA 70 70 54056 1 . HIS 71 71 54056 1 . SER 72 72 54056 1 . ARG 73 73 54056 1 . ILE 74 74 54056 1 . ARG 75 75 54056 1 . ARG 76 76 54056 1 . PHE 77 77 54056 1 . GLU 78 78 54056 1 . SER 79 79 54056 1 . PRO 80 80 54056 1 . ASP 81 81 54056 1 . GLU 82 82 54056 1 . THR 83 83 54056 1 . PRO 84 84 54056 1 . PHE 85 85 54056 1 . PHE 86 86 54056 1 . PRO 87 87 54056 1 . ASP 88 88 54056 1 . LYS 89 89 54056 1 . ILE 90 90 54056 1 . GLN 91 91 54056 1 . LYS 92 92 54056 1 . SER 93 93 54056 1 . PHE 94 94 54056 1 . LEU 95 95 54056 1 . PRO 96 96 54056 1 . SER 97 97 54056 1 . ILE 98 98 54056 1 . ASN 99 99 54056 1 . TYR 100 100 54056 1 . PRO 101 101 54056 1 . GLN 102 102 54056 1 . ILE 103 103 54056 1 . LEU 104 104 54056 1 . ALA 105 105 54056 1 . PRO 106 106 54056 1 . TYR 107 107 54056 1 . ALA 108 108 54056 1 . PRO 109 109 54056 1 . GLU 110 110 54056 1 . VAL 111 111 54056 1 . ASN 112 112 54056 1 . TYR 113 113 54056 1 . ASN 114 114 54056 1 . ASP 115 115 54056 1 . LYS 116 116 54056 1 . ILE 117 117 54056 1 . LYS 118 118 54056 1 . LYS 119 119 54056 1 . VAL 120 120 54056 1 . TYR 121 121 54056 1 . ILE 122 122 54056 1 . GLU 123 123 54056 1 . LYS 124 124 54056 1 . ILE 125 125 54056 1 . ILE 126 126 54056 1 . PRO 127 127 54056 1 . LEU 128 128 54056 1 . ILE 129 129 54056 1 . SER 130 130 54056 1 . LYS 131 131 54056 1 . ARG 132 132 54056 1 . ASP 133 133 54056 1 . GLY 134 134 54056 1 . ASP 135 135 54056 1 . ASP 136 136 54056 1 . LYS 137 137 54056 1 . ASN 138 138 54056 1 . ASN 139 139 54056 1 . PHE 140 140 54056 1 . GLY 141 141 54056 1 . SER 142 142 54056 1 . VAL 143 143 54056 1 . ALA 144 144 54056 1 . THR 145 145 54056 1 . ARG 146 146 54056 1 . ASP 147 147 54056 1 . ILE 148 148 54056 1 . GLU 149 149 54056 1 . CYS 150 150 54056 1 . LEU 151 151 54056 1 . GLN 152 152 54056 1 . SER 153 153 54056 1 . LEU 154 154 54056 1 . SER 155 155 54056 1 . ARG 156 156 54056 1 . ARG 157 157 54056 1 . ILE 158 158 54056 1 . HIS 159 159 54056 1 . PHE 160 160 54056 1 . GLY 161 161 54056 1 . LYS 162 162 54056 1 . PHE 163 163 54056 1 . VAL 164 164 54056 1 . ALA 165 165 54056 1 . GLU 166 166 54056 1 . ALA 167 167 54056 1 . LYS 168 168 54056 1 . PHE 169 169 54056 1 . GLN 170 170 54056 1 . SER 171 171 54056 1 . ASP 172 172 54056 1 . ILE 173 173 54056 1 . PRO 174 174 54056 1 . LEU 175 175 54056 1 . TYR 176 176 54056 1 . THR 177 177 54056 1 . LYS 178 178 54056 1 . LEU 179 179 54056 1 . ILE 180 180 54056 1 . LYS 181 181 54056 1 . SER 182 182 54056 1 . LYS 183 183 54056 1 . ASP 184 184 54056 1 . VAL 185 185 54056 1 . GLU 186 186 54056 1 . GLY 187 187 54056 1 . ILE 188 188 54056 1 . MET 189 189 54056 1 . LYS 190 190 54056 1 . ASN 191 191 54056 1 . ILE 192 192 54056 1 . THR 193 193 54056 1 . ASN 194 194 54056 1 . SER 195 195 54056 1 . ALA 196 196 54056 1 . VAL 197 197 54056 1 . GLU 198 198 54056 1 . GLU 199 199 54056 1 . LYS 200 200 54056 1 . ILE 201 201 54056 1 . LEU 202 202 54056 1 . GLU 203 203 54056 1 . ARG 204 204 54056 1 . LEU 205 205 54056 1 . THR 206 206 54056 1 . LYS 207 207 54056 1 . LYS 208 208 54056 1 . ALA 209 209 54056 1 . GLU 210 210 54056 1 . VAL 211 211 54056 1 . TYR 212 212 54056 1 . GLY 213 213 54056 1 . VAL 214 214 54056 1 . ASP 215 215 54056 1 . PRO 216 216 54056 1 . THR 217 217 54056 1 . ASN 218 218 54056 1 . GLU 219 219 54056 1 . SER 220 220 54056 1 . ILE 221 221 54056 1 . GLU 222 222 54056 1 . ARG 223 223 54056 1 . ARG 224 224 54056 1 . ILE 225 225 54056 1 . THR 226 226 54056 1 . PRO 227 227 54056 1 . GLU 228 228 54056 1 . TYR 229 229 54056 1 . LEU 230 230 54056 1 . VAL 231 231 54056 1 . LYS 232 232 54056 1 . ILE 233 233 54056 1 . TYR 234 234 54056 1 . LYS 235 235 54056 1 . GLU 236 236 54056 1 . ILE 237 237 54056 1 . VAL 238 238 54056 1 . ILE 239 239 54056 1 . PRO 240 240 54056 1 . ILE 241 241 54056 1 . THR 242 242 54056 1 . LYS 243 243 54056 1 . GLU 244 244 54056 1 . VAL 245 245 54056 1 . GLU 246 246 54056 1 . VAL 247 247 54056 1 . GLU 248 248 54056 1 . TYR 249 249 54056 1 . LEU 250 250 54056 1 . LEU 251 251 54056 1 . ARG 252 252 54056 1 . ARG 253 253 54056 1 . LEU 254 254 54056 1 . GLU 255 255 54056 1 . GLU 256 256 54056 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 54056 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 54056 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 54056 _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 . . . plasmid . . pET21a . . . 54056 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 54056 _Sample.ID 1 _Sample.Name 'apo chorismate mutase' _Sample.Type solution _Sample.Sub_type . _Sample.Details '150 mM NaCl, 25 mM NaPO4, 1 mM EDTA, 1 mM DTT, 25 degrees Celcius' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'chorismate mutase apo' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.5 . . mM 0.1 . . . 54056 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 54056 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 54056 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 54056 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 54056 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 54056 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'apo conditions' _Sample_condition_list.Details '150 mM NaCl, 25 mM sodium phosphate, pH 7.5' 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' 175 . mM 54056 1 pH 7.5 . pH 54056 1 pressure 1 . atm 54056 1 temperature 298 . K 54056 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 54056 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 54056 1 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 54056 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'no name' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '700, 850' 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 54056 _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 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54056 1 2 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54056 1 3 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54056 1 4 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54056 1 5 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54056 1 6 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54056 1 stop_ 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 54056 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name not _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 na 'methyl carbon' . . . . ppm 0 external direct 1 . . . . . 54056 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 54056 1 N 15 na nitrogen . . . . ppm 0 external direct 1 . . . . . 54056 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 54056 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'yeast chorismate mutase apo' _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 '3D HNCA' . . . 54056 1 2 '3D HN(CA)CO' . . . 54056 1 3 '3D HNCO' . . . 54056 1 4 '3D HN(CO)CA' . . . 54056 1 5 '3D HN(CO)CACB' . . . 54056 1 6 '3D HNCACB' . . . 54056 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 54056 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 MET C C 13 174.3060 0.0000 . 1 . . . . . 1 MET C . 54056 1 2 . 1 . 1 1 1 MET CA C 13 57.1620 0.0000 . 1 . . . . . 1 MET CA . 54056 1 3 . 1 . 1 1 1 MET CB C 13 31.6870 0.0000 . 1 . . . . . 1 MET CB . 54056 1 4 . 1 . 1 2 2 ASP H H 1 8.6350 0.0000 . 1 . . . . . 2 ASP H . 54056 1 5 . 1 . 1 2 2 ASP C C 13 176.8760 0.0000 . 1 . . . . . 2 ASP C . 54056 1 6 . 1 . 1 2 2 ASP CA C 13 51.7720 0.0000 . 1 . . . . . 2 ASP CA . 54056 1 7 . 1 . 1 2 2 ASP CB C 13 41.8890 0.0000 . 1 . . . . . 2 ASP CB . 54056 1 8 . 1 . 1 2 2 ASP N N 15 128.0020 0.0000 . 1 . . . . . 2 ASP N . 54056 1 9 . 1 . 1 3 3 PHE H H 1 9.0200 0.0000 . 1 . . . . . 3 PHE H . 54056 1 10 . 1 . 1 3 3 PHE C C 13 175.8620 0.0000 . 1 . . . . . 3 PHE C . 54056 1 11 . 1 . 1 3 3 PHE CA C 13 61.2210 0.0000 . 1 . . . . . 3 PHE CA . 54056 1 12 . 1 . 1 3 3 PHE N N 15 121.9340 0.0000 . 1 . . . . . 3 PHE N . 54056 1 13 . 1 . 1 4 4 THR H H 1 8.9670 0.0000 . 1 . . . . . 4 THR H . 54056 1 14 . 1 . 1 4 4 THR CB C 13 69.0220 0.0000 . 1 . . . . . 4 THR CB . 54056 1 15 . 1 . 1 4 4 THR N N 15 107.7380 0.0000 . 1 . . . . . 4 THR N . 54056 1 16 . 1 . 1 5 5 LYS H H 1 8.1900 0.0000 . 1 . . . . . 5 LYS H . 54056 1 17 . 1 . 1 5 5 LYS CA C 13 53.0600 0.0000 . 1 . . . . . 5 LYS CA . 54056 1 18 . 1 . 1 5 5 LYS CB C 13 33.6160 0.0000 . 1 . . . . . 5 LYS CB . 54056 1 19 . 1 . 1 5 5 LYS N N 15 122.2930 0.0000 . 1 . . . . . 5 LYS N . 54056 1 20 . 1 . 1 6 6 PRO C C 13 176.8980 0.0000 . 1 . . . . . 6 PRO C . 54056 1 21 . 1 . 1 6 6 PRO CA C 13 66.0740 0.0000 . 1 . . . . . 6 PRO CA . 54056 1 22 . 1 . 1 6 6 PRO CB C 13 31.8350 0.0000 . 1 . . . . . 6 PRO CB . 54056 1 23 . 1 . 1 7 7 GLU H H 1 10.1060 0.0000 . 1 . . . . . 7 GLU H . 54056 1 24 . 1 . 1 7 7 GLU C C 13 178.4220 0.0000 . 1 . . . . . 7 GLU C . 54056 1 25 . 1 . 1 7 7 GLU CA C 13 58.4140 0.0000 . 1 . . . . . 7 GLU CA . 54056 1 26 . 1 . 1 7 7 GLU CB C 13 26.6760 0.0000 . 1 . . . . . 7 GLU CB . 54056 1 27 . 1 . 1 7 7 GLU N N 15 117.0350 0.0000 . 1 . . . . . 7 GLU N . 54056 1 28 . 1 . 1 8 8 THR H H 1 8.3920 0.0000 . 1 . . . . . 8 THR H . 54056 1 29 . 1 . 1 8 8 THR C C 13 175.0420 0.0000 . 1 . . . . . 8 THR C . 54056 1 30 . 1 . 1 8 8 THR CA C 13 62.5420 0.0000 . 1 . . . . . 8 THR CA . 54056 1 31 . 1 . 1 8 8 THR CB C 13 69.1660 0.0000 . 1 . . . . . 8 THR CB . 54056 1 32 . 1 . 1 8 8 THR N N 15 110.5590 0.0000 . 1 . . . . . 8 THR N . 54056 1 33 . 1 . 1 9 9 VAL H H 1 7.0790 0.0000 . 1 . . . . . 9 VAL H . 54056 1 34 . 1 . 1 9 9 VAL CA C 13 63.0810 0.0000 . 1 . . . . . 9 VAL CA . 54056 1 35 . 1 . 1 9 9 VAL CB C 13 31.6940 0.0000 . 1 . . . . . 9 VAL CB . 54056 1 36 . 1 . 1 9 9 VAL N N 15 123.3120 0.0000 . 1 . . . . . 9 VAL N . 54056 1 37 . 1 . 1 10 10 LEU H H 1 7.1550 0.0000 . 1 . . . . . 10 LEU H . 54056 1 38 . 1 . 1 10 10 LEU C C 13 175.6990 0.0000 . 1 . . . . . 10 LEU C . 54056 1 39 . 1 . 1 10 10 LEU CA C 13 52.4020 0.0000 . 1 . . . . . 10 LEU CA . 54056 1 40 . 1 . 1 10 10 LEU CB C 13 38.9390 0.0000 . 1 . . . . . 10 LEU CB . 54056 1 41 . 1 . 1 10 10 LEU N N 15 113.0750 0.0000 . 1 . . . . . 10 LEU N . 54056 1 42 . 1 . 1 11 11 ASN H H 1 6.9060 0.0000 . 1 . . . . . 11 ASN H . 54056 1 43 . 1 . 1 11 11 ASN C C 13 175.4760 0.0000 . 1 . . . . . 11 ASN C . 54056 1 44 . 1 . 1 11 11 ASN N N 15 118.4050 0.0000 . 1 . . . . . 11 ASN N . 54056 1 45 . 1 . 1 12 12 LEU H H 1 8.9730 0.0000 . 1 . . . . . 12 LEU H . 54056 1 46 . 1 . 1 12 12 LEU C C 13 179.0130 0.0000 . 1 . . . . . 12 LEU C . 54056 1 47 . 1 . 1 12 12 LEU CA C 13 57.9600 0.0000 . 1 . . . . . 12 LEU CA . 54056 1 48 . 1 . 1 12 12 LEU CB C 13 40.0770 0.0000 . 1 . . . . . 12 LEU CB . 54056 1 49 . 1 . 1 12 12 LEU N N 15 127.1580 0.0000 . 1 . . . . . 12 LEU N . 54056 1 50 . 1 . 1 13 13 GLN H H 1 8.1050 0.0000 . 1 . . . . . 13 GLN H . 54056 1 51 . 1 . 1 13 13 GLN C C 13 177.3470 0.0000 . 1 . . . . . 13 GLN C . 54056 1 52 . 1 . 1 13 13 GLN CA C 13 58.7500 0.0000 . 1 . . . . . 13 GLN CA . 54056 1 53 . 1 . 1 13 13 GLN CB C 13 26.9030 0.0000 . 1 . . . . . 13 GLN CB . 54056 1 54 . 1 . 1 13 13 GLN N N 15 119.9830 0.0000 . 1 . . . . . 13 GLN N . 54056 1 55 . 1 . 1 14 14 ASN H H 1 7.9720 0.0000 . 1 . . . . . 14 ASN H . 54056 1 56 . 1 . 1 14 14 ASN CA C 13 54.8270 0.0000 . 1 . . . . . 14 ASN CA . 54056 1 57 . 1 . 1 14 14 ASN CB C 13 35.8700 0.0000 . 1 . . . . . 14 ASN CB . 54056 1 58 . 1 . 1 14 14 ASN N N 15 118.9770 0.0000 . 1 . . . . . 14 ASN N . 54056 1 59 . 1 . 1 15 15 ILE H H 1 8.4690 0.0000 . 1 . . . . . 15 ILE H . 54056 1 60 . 1 . 1 15 15 ILE C C 13 176.8840 0.0000 . 1 . . . . . 15 ILE C . 54056 1 61 . 1 . 1 15 15 ILE CA C 13 65.3130 0.0000 . 1 . . . . . 15 ILE CA . 54056 1 62 . 1 . 1 15 15 ILE CB C 13 36.4920 0.0000 . 1 . . . . . 15 ILE CB . 54056 1 63 . 1 . 1 15 15 ILE N N 15 121.1870 0.0000 . 1 . . . . . 15 ILE N . 54056 1 64 . 1 . 1 16 16 ARG H H 1 7.8840 0.0000 . 1 . . . . . 16 ARG H . 54056 1 65 . 1 . 1 16 16 ARG C C 13 179.1830 0.0000 . 1 . . . . . 16 ARG C . 54056 1 66 . 1 . 1 16 16 ARG CA C 13 59.5270 0.0000 . 1 . . . . . 16 ARG CA . 54056 1 67 . 1 . 1 16 16 ARG CB C 13 28.5850 0.0000 . 1 . . . . . 16 ARG CB . 54056 1 68 . 1 . 1 16 16 ARG N N 15 118.9390 0.0000 . 1 . . . . . 16 ARG N . 54056 1 69 . 1 . 1 17 17 ASP H H 1 7.9950 0.0000 . 1 . . . . . 17 ASP H . 54056 1 70 . 1 . 1 17 17 ASP CA C 13 57.0900 0.0000 . 1 . . . . . 17 ASP CA . 54056 1 71 . 1 . 1 17 17 ASP CB C 13 39.3970 0.0000 . 1 . . . . . 17 ASP CB . 54056 1 72 . 1 . 1 17 17 ASP N N 15 118.8040 0.0000 . 1 . . . . . 17 ASP N . 54056 1 73 . 1 . 1 18 18 GLU H H 1 8.4160 0.0000 . 1 . . . . . 18 GLU H . 54056 1 74 . 1 . 1 18 18 GLU C C 13 179.4500 0.0000 . 1 . . . . . 18 GLU C . 54056 1 75 . 1 . 1 18 18 GLU CA C 13 57.9230 0.0000 . 1 . . . . . 18 GLU CA . 54056 1 76 . 1 . 1 18 18 GLU CB C 13 28.1010 0.0000 . 1 . . . . . 18 GLU CB . 54056 1 77 . 1 . 1 18 18 GLU N N 15 120.8650 0.0000 . 1 . . . . . 18 GLU N . 54056 1 78 . 1 . 1 19 19 LEU H H 1 8.6870 0.0000 . 1 . . . . . 19 LEU H . 54056 1 79 . 1 . 1 19 19 LEU C C 13 178.7640 0.0000 . 1 . . . . . 19 LEU C . 54056 1 80 . 1 . 1 19 19 LEU CA C 13 57.9500 0.0000 . 1 . . . . . 19 LEU CA . 54056 1 81 . 1 . 1 19 19 LEU CB C 13 40.9400 0.0000 . 1 . . . . . 19 LEU CB . 54056 1 82 . 1 . 1 19 19 LEU N N 15 120.0170 0.0000 . 1 . . . . . 19 LEU N . 54056 1 83 . 1 . 1 20 20 VAL H H 1 7.3780 0.0000 . 1 . . . . . 20 VAL H . 54056 1 84 . 1 . 1 20 20 VAL C C 13 177.4610 0.0000 . 1 . . . . . 20 VAL C . 54056 1 85 . 1 . 1 20 20 VAL CA C 13 65.7360 0.0000 . 1 . . . . . 20 VAL CA . 54056 1 86 . 1 . 1 20 20 VAL CB C 13 30.7220 0.0000 . 1 . . . . . 20 VAL CB . 54056 1 87 . 1 . 1 20 20 VAL N N 15 117.0380 0.0000 . 1 . . . . . 20 VAL N . 54056 1 88 . 1 . 1 21 21 ARG H H 1 6.6140 0.0000 . 1 . . . . . 21 ARG H . 54056 1 89 . 1 . 1 21 21 ARG CA C 13 58.4450 0.0000 . 1 . . . . . 21 ARG CA . 54056 1 90 . 1 . 1 21 21 ARG N N 15 114.6420 0.0000 . 1 . . . . . 21 ARG N . 54056 1 91 . 1 . 1 22 22 MET H H 1 8.1720 0.0000 . 1 . . . . . 22 MET H . 54056 1 92 . 1 . 1 22 22 MET CA C 13 58.7810 0.0000 . 1 . . . . . 22 MET CA . 54056 1 93 . 1 . 1 22 22 MET N N 15 117.5260 0.0000 . 1 . . . . . 22 MET N . 54056 1 94 . 1 . 1 23 23 GLU H H 1 8.5910 0.0000 . 1 . . . . . 23 GLU H . 54056 1 95 . 1 . 1 23 23 GLU C C 13 176.6930 0.0000 . 1 . . . . . 23 GLU C . 54056 1 96 . 1 . 1 23 23 GLU CA C 13 59.3340 0.0000 . 1 . . . . . 23 GLU CA . 54056 1 97 . 1 . 1 23 23 GLU N N 15 120.6720 0.0000 . 1 . . . . . 23 GLU N . 54056 1 98 . 1 . 1 24 24 ASP H H 1 8.1160 0.0000 . 1 . . . . . 24 ASP H . 54056 1 99 . 1 . 1 24 24 ASP C C 13 176.4810 0.0000 . 1 . . . . . 24 ASP C . 54056 1 100 . 1 . 1 24 24 ASP CA C 13 56.3310 0.0000 . 1 . . . . . 24 ASP CA . 54056 1 101 . 1 . 1 24 24 ASP CB C 13 39.3720 0.0000 . 1 . . . . . 24 ASP CB . 54056 1 102 . 1 . 1 24 24 ASP N N 15 119.1320 0.0000 . 1 . . . . . 24 ASP N . 54056 1 103 . 1 . 1 25 25 SER H H 1 6.9310 0.0000 . 1 . . . . . 25 SER H . 54056 1 104 . 1 . 1 25 25 SER CA C 13 60.8910 0.0000 . 1 . . . . . 25 SER CA . 54056 1 105 . 1 . 1 25 25 SER CB C 13 63.0030 0.0000 . 1 . . . . . 25 SER CB . 54056 1 106 . 1 . 1 25 25 SER N N 15 106.7090 0.0000 . 1 . . . . . 25 SER N . 54056 1 107 . 1 . 1 26 26 ILE H H 1 6.7850 0.0000 . 1 . . . . . 26 ILE H . 54056 1 108 . 1 . 1 26 26 ILE C C 13 176.7600 0.0000 . 1 . . . . . 26 ILE C . 54056 1 109 . 1 . 1 26 26 ILE CA C 13 65.0340 0.0000 . 1 . . . . . 26 ILE CA . 54056 1 110 . 1 . 1 26 26 ILE CB C 13 36.4290 0.0000 . 1 . . . . . 26 ILE CB . 54056 1 111 . 1 . 1 26 26 ILE N N 15 116.5310 0.0000 . 1 . . . . . 26 ILE N . 54056 1 112 . 1 . 1 27 27 ILE H H 1 6.6230 0.0000 . 1 . . . . . 27 ILE H . 54056 1 113 . 1 . 1 27 27 ILE C C 13 177.9290 0.0000 . 1 . . . . . 27 ILE C . 54056 1 114 . 1 . 1 27 27 ILE CA C 13 61.2110 0.0000 . 1 . . . . . 27 ILE CA . 54056 1 115 . 1 . 1 27 27 ILE CB C 13 34.9850 0.0000 . 1 . . . . . 27 ILE CB . 54056 1 116 . 1 . 1 27 27 ILE N N 15 117.8150 0.0000 . 1 . . . . . 27 ILE N . 54056 1 117 . 1 . 1 28 28 PHE H H 1 7.7670 0.0000 . 1 . . . . . 28 PHE H . 54056 1 118 . 1 . 1 28 28 PHE C C 13 178.5500 0.0000 . 1 . . . . . 28 PHE C . 54056 1 119 . 1 . 1 28 28 PHE CA C 13 56.8370 0.0000 . 1 . . . . . 28 PHE CA . 54056 1 120 . 1 . 1 28 28 PHE N N 15 120.3170 0.0000 . 1 . . . . . 28 PHE N . 54056 1 121 . 1 . 1 29 29 LYS H H 1 8.6540 0.0000 . 1 . . . . . 29 LYS H . 54056 1 122 . 1 . 1 29 29 LYS C C 13 181.6700 0.0000 . 1 . . . . . 29 LYS C . 54056 1 123 . 1 . 1 29 29 LYS CA C 13 57.8480 0.0000 . 1 . . . . . 29 LYS CA . 54056 1 124 . 1 . 1 29 29 LYS CB C 13 28.5430 0.0000 . 1 . . . . . 29 LYS CB . 54056 1 125 . 1 . 1 29 29 LYS N N 15 117.4440 0.0000 . 1 . . . . . 29 LYS N . 54056 1 126 . 1 . 1 30 30 PHE H H 1 9.0590 0.0000 . 1 . . . . . 30 PHE H . 54056 1 127 . 1 . 1 30 30 PHE C C 13 178.6710 0.0000 . 1 . . . . . 30 PHE C . 54056 1 128 . 1 . 1 30 30 PHE CB C 13 36.4890 0.0000 . 1 . . . . . 30 PHE CB . 54056 1 129 . 1 . 1 30 30 PHE N N 15 122.5010 0.0000 . 1 . . . . . 30 PHE N . 54056 1 130 . 1 . 1 31 31 ILE H H 1 8.4820 0.0000 . 1 . . . . . 31 ILE H . 54056 1 131 . 1 . 1 31 31 ILE C C 13 180.5480 0.0000 . 1 . . . . . 31 ILE C . 54056 1 132 . 1 . 1 31 31 ILE CA C 13 65.8270 0.0000 . 1 . . . . . 31 ILE CA . 54056 1 133 . 1 . 1 31 31 ILE N N 15 119.8610 0.0000 . 1 . . . . . 31 ILE N . 54056 1 134 . 1 . 1 32 32 GLU H H 1 8.2530 0.0000 . 1 . . . . . 32 GLU H . 54056 1 135 . 1 . 1 32 32 GLU C C 13 180.2740 0.0000 . 1 . . . . . 32 GLU C . 54056 1 136 . 1 . 1 32 32 GLU CA C 13 58.5300 0.0000 . 1 . . . . . 32 GLU CA . 54056 1 137 . 1 . 1 32 32 GLU N N 15 117.5200 0.0000 . 1 . . . . . 32 GLU N . 54056 1 138 . 1 . 1 33 33 ARG H H 1 8.1620 0.0000 . 1 . . . . . 33 ARG H . 54056 1 139 . 1 . 1 33 33 ARG CA C 13 56.3670 0.0000 . 1 . . . . . 33 ARG CA . 54056 1 140 . 1 . 1 33 33 ARG N N 15 119.2000 0.0000 . 1 . . . . . 33 ARG N . 54056 1 141 . 1 . 1 34 34 SER H H 1 8.5080 0.0000 . 1 . . . . . 34 SER H . 54056 1 142 . 1 . 1 34 34 SER CB C 13 63.5740 0.0000 . 1 . . . . . 34 SER CB . 54056 1 143 . 1 . 1 34 34 SER N N 15 119.1380 0.0000 . 1 . . . . . 34 SER N . 54056 1 144 . 1 . 1 35 35 HIS H H 1 6.8850 0.0000 . 1 . . . . . 35 HIS H . 54056 1 145 . 1 . 1 35 35 HIS C C 13 175.0930 0.0000 . 1 . . . . . 35 HIS C . 54056 1 146 . 1 . 1 35 35 HIS CA C 13 57.3910 0.0000 . 1 . . . . . 35 HIS CA . 54056 1 147 . 1 . 1 35 35 HIS CB C 13 30.7900 0.0000 . 1 . . . . . 35 HIS CB . 54056 1 148 . 1 . 1 35 35 HIS N N 15 116.5670 0.0000 . 1 . . . . . 35 HIS N . 54056 1 149 . 1 . 1 36 36 PHE H H 1 8.0020 0.0000 . 1 . . . . . 36 PHE H . 54056 1 150 . 1 . 1 36 36 PHE C C 13 175.5910 0.0000 . 1 . . . . . 36 PHE C . 54056 1 151 . 1 . 1 36 36 PHE CA C 13 56.2730 0.0000 . 1 . . . . . 36 PHE CA . 54056 1 152 . 1 . 1 36 36 PHE CB C 13 44.1190 0.0000 . 1 . . . . . 36 PHE CB . 54056 1 153 . 1 . 1 36 36 PHE N N 15 115.7010 0.0000 . 1 . . . . . 36 PHE N . 54056 1 154 . 1 . 1 37 37 ALA H H 1 9.1210 0.0000 . 1 . . . . . 37 ALA H . 54056 1 155 . 1 . 1 37 37 ALA C C 13 177.6910 0.0000 . 1 . . . . . 37 ALA C . 54056 1 156 . 1 . 1 37 37 ALA CA C 13 51.6830 0.0000 . 1 . . . . . 37 ALA CA . 54056 1 157 . 1 . 1 37 37 ALA CB C 13 19.9860 0.0000 . 1 . . . . . 37 ALA CB . 54056 1 158 . 1 . 1 37 37 ALA N N 15 121.3410 0.0000 . 1 . . . . . 37 ALA N . 54056 1 159 . 1 . 1 38 38 THR H H 1 8.9440 0.0000 . 1 . . . . . 38 THR H . 54056 1 160 . 1 . 1 38 38 THR CA C 13 65.3530 0.0000 . 1 . . . . . 38 THR CA . 54056 1 161 . 1 . 1 38 38 THR CB C 13 68.9140 0.0000 . 1 . . . . . 38 THR CB . 54056 1 162 . 1 . 1 38 38 THR N N 15 114.0420 0.0000 . 1 . . . . . 38 THR N . 54056 1 163 . 1 . 1 39 39 CYS H H 1 8.7180 0.0000 . 1 . . . . . 39 CYS H . 54056 1 164 . 1 . 1 39 39 CYS C C 13 172.1880 0.0000 . 1 . . . . . 39 CYS C . 54056 1 165 . 1 . 1 39 39 CYS CA C 13 59.7370 0.0000 . 1 . . . . . 39 CYS CA . 54056 1 166 . 1 . 1 39 39 CYS CB C 13 26.2230 0.0000 . 1 . . . . . 39 CYS CB . 54056 1 167 . 1 . 1 39 39 CYS N N 15 107.8570 0.0000 . 1 . . . . . 39 CYS N . 54056 1 168 . 1 . 1 42 42 VAL C C 13 174.0790 0.0000 . 1 . . . . . 42 VAL C . 54056 1 169 . 1 . 1 42 42 VAL CA C 13 64.6190 0.0000 . 1 . . . . . 42 VAL CA . 54056 1 170 . 1 . 1 42 42 VAL CB C 13 30.1140 0.0000 . 1 . . . . . 42 VAL CB . 54056 1 171 . 1 . 1 43 43 TYR H H 1 6.5840 0.0000 . 1 . . . . . 43 TYR H . 54056 1 172 . 1 . 1 43 43 TYR C C 13 176.2310 0.0000 . 1 . . . . . 43 TYR C . 54056 1 173 . 1 . 1 43 43 TYR CA C 13 56.4990 0.0000 . 1 . . . . . 43 TYR CA . 54056 1 174 . 1 . 1 43 43 TYR CB C 13 38.4490 0.0000 . 1 . . . . . 43 TYR CB . 54056 1 175 . 1 . 1 43 43 TYR N N 15 114.0350 0.0000 . 1 . . . . . 43 TYR N . 54056 1 176 . 1 . 1 44 44 GLU H H 1 6.8550 0.0000 . 1 . . . . . 44 GLU H . 54056 1 177 . 1 . 1 44 44 GLU C C 13 176.1870 0.0000 . 1 . . . . . 44 GLU C . 54056 1 178 . 1 . 1 44 44 GLU CA C 13 55.1560 0.0000 . 1 . . . . . 44 GLU CA . 54056 1 179 . 1 . 1 44 44 GLU N N 15 119.8520 0.0000 . 1 . . . . . 44 GLU N . 54056 1 180 . 1 . 1 45 45 ALA H H 1 8.9640 0.0000 . 1 . . . . . 45 ALA H . 54056 1 181 . 1 . 1 45 45 ALA C C 13 176.8230 0.0000 . 1 . . . . . 45 ALA C . 54056 1 182 . 1 . 1 45 45 ALA CA C 13 52.7010 0.0000 . 1 . . . . . 45 ALA CA . 54056 1 183 . 1 . 1 45 45 ALA CB C 13 17.5350 0.0000 . 1 . . . . . 45 ALA CB . 54056 1 184 . 1 . 1 45 45 ALA N N 15 128.6920 0.0000 . 1 . . . . . 45 ALA N . 54056 1 185 . 1 . 1 53 53 PRO CA C 13 66.0860 0.0000 . 1 . . . . . 53 PRO CA . 54056 1 186 . 1 . 1 53 53 PRO CB C 13 30.2380 0.0000 . 1 . . . . . 53 PRO CB . 54056 1 187 . 1 . 1 54 54 ASN C C 13 179.0360 0.0000 . 1 . . . . . 54 ASN C . 54056 1 188 . 1 . 1 54 54 ASN CA C 13 57.6250 0.0000 . 1 . . . . . 54 ASN CA . 54056 1 189 . 1 . 1 54 54 ASN CB C 13 41.3390 0.0000 . 1 . . . . . 54 ASN CB . 54056 1 190 . 1 . 1 55 55 PHE H H 1 8.2710 0.0000 . 1 . . . . . 55 PHE H . 54056 1 191 . 1 . 1 55 55 PHE C C 13 178.4590 0.0000 . 1 . . . . . 55 PHE C . 54056 1 192 . 1 . 1 55 55 PHE CA C 13 63.9750 0.0000 . 1 . . . . . 55 PHE CA . 54056 1 193 . 1 . 1 55 55 PHE CB C 13 37.8800 0.0000 . 1 . . . . . 55 PHE CB . 54056 1 194 . 1 . 1 55 55 PHE N N 15 114.4280 0.0000 . 1 . . . . . 55 PHE N . 54056 1 195 . 1 . 1 103 103 ILE C C 13 175.5450 0.0000 . 1 . . . . . 103 ILE C . 54056 1 196 . 1 . 1 103 103 ILE CA C 13 62.8960 0.0000 . 1 . . . . . 103 ILE CA . 54056 1 197 . 1 . 1 103 103 ILE CB C 13 40.5140 0.0000 . 1 . . . . . 103 ILE CB . 54056 1 198 . 1 . 1 104 104 LEU H H 1 8.0210 0.0000 . 1 . . . . . 104 LEU H . 54056 1 199 . 1 . 1 104 104 LEU C C 13 176.2720 0.0000 . 1 . . . . . 104 LEU C . 54056 1 200 . 1 . 1 104 104 LEU CA C 13 52.3330 0.0000 . 1 . . . . . 104 LEU CA . 54056 1 201 . 1 . 1 104 104 LEU CB C 13 42.3430 0.0000 . 1 . . . . . 104 LEU CB . 54056 1 202 . 1 . 1 104 104 LEU N N 15 116.4520 0.0000 . 1 . . . . . 104 LEU N . 54056 1 203 . 1 . 1 105 105 ALA H H 1 7.5660 0.0000 . 1 . . . . . 105 ALA H . 54056 1 204 . 1 . 1 105 105 ALA C C 13 177.6900 0.0000 . 1 . . . . . 105 ALA C . 54056 1 205 . 1 . 1 105 105 ALA CB C 13 17.2890 0.0000 . 1 . . . . . 105 ALA CB . 54056 1 206 . 1 . 1 105 105 ALA N N 15 121.1800 0.0000 . 1 . . . . . 105 ALA N . 54056 1 207 . 1 . 1 106 106 PRO C C 13 176.4270 0.0000 . 1 . . . . . 106 PRO C . 54056 1 208 . 1 . 1 106 106 PRO CA C 13 65.0880 0.0000 . 1 . . . . . 106 PRO CA . 54056 1 209 . 1 . 1 106 106 PRO CB C 13 31.0630 0.0000 . 1 . . . . . 106 PRO CB . 54056 1 210 . 1 . 1 107 107 TYR H H 1 6.0440 0.0000 . 1 . . . . . 107 TYR H . 54056 1 211 . 1 . 1 107 107 TYR CA C 13 55.5590 0.0000 . 1 . . . . . 107 TYR CA . 54056 1 212 . 1 . 1 107 107 TYR CB C 13 36.3290 0.0000 . 1 . . . . . 107 TYR CB . 54056 1 213 . 1 . 1 107 107 TYR N N 15 108.9380 0.0000 . 1 . . . . . 107 TYR N . 54056 1 214 . 1 . 1 108 108 ALA H H 1 7.4590 0.0000 . 1 . . . . . 108 ALA H . 54056 1 215 . 1 . 1 108 108 ALA C C 13 175.8820 0.0000 . 1 . . . . . 108 ALA C . 54056 1 216 . 1 . 1 108 108 ALA CB C 13 17.6880 0.0000 . 1 . . . . . 108 ALA CB . 54056 1 217 . 1 . 1 108 108 ALA N N 15 125.3060 0.0000 . 1 . . . . . 108 ALA N . 54056 1 218 . 1 . 1 109 109 PRO C C 13 177.7630 0.0000 . 1 . . . . . 109 PRO C . 54056 1 219 . 1 . 1 109 109 PRO CA C 13 65.2090 0.0000 . 1 . . . . . 109 PRO CA . 54056 1 220 . 1 . 1 109 109 PRO CB C 13 30.2320 0.0000 . 1 . . . . . 109 PRO CB . 54056 1 221 . 1 . 1 110 110 GLU H H 1 8.3200 0.0000 . 1 . . . . . 110 GLU H . 54056 1 222 . 1 . 1 110 110 GLU C C 13 177.4920 0.0000 . 1 . . . . . 110 GLU C . 54056 1 223 . 1 . 1 110 110 GLU CA C 13 56.7470 0.0000 . 1 . . . . . 110 GLU CA . 54056 1 224 . 1 . 1 110 110 GLU CB C 13 28.8300 0.0000 . 1 . . . . . 110 GLU CB . 54056 1 225 . 1 . 1 110 110 GLU N N 15 113.6060 0.0000 . 1 . . . . . 110 GLU N . 54056 1 226 . 1 . 1 111 111 VAL H H 1 7.8340 0.0000 . 1 . . . . . 111 VAL H . 54056 1 227 . 1 . 1 111 111 VAL C C 13 173.7050 0.0000 . 1 . . . . . 111 VAL C . 54056 1 228 . 1 . 1 111 111 VAL CA C 13 61.2060 0.0000 . 1 . . . . . 111 VAL CA . 54056 1 229 . 1 . 1 111 111 VAL N N 15 121.1630 0.0000 . 1 . . . . . 111 VAL N . 54056 1 230 . 1 . 1 112 112 ASN H H 1 7.9770 0.0000 . 1 . . . . . 112 ASN H . 54056 1 231 . 1 . 1 112 112 ASN C C 13 175.0290 0.0000 . 1 . . . . . 112 ASN C . 54056 1 232 . 1 . 1 112 112 ASN CA C 13 51.8930 0.0000 . 1 . . . . . 112 ASN CA . 54056 1 233 . 1 . 1 112 112 ASN CB C 13 39.2230 0.0000 . 1 . . . . . 112 ASN CB . 54056 1 234 . 1 . 1 112 112 ASN N N 15 124.7270 0.0000 . 1 . . . . . 112 ASN N . 54056 1 235 . 1 . 1 113 113 TYR C C 13 176.6270 0.0000 . 1 . . . . . 113 TYR C . 54056 1 236 . 1 . 1 113 113 TYR CA C 13 57.0430 0.0000 . 1 . . . . . 113 TYR CA . 54056 1 237 . 1 . 1 113 113 TYR CB C 13 37.8060 0.0000 . 1 . . . . . 113 TYR CB . 54056 1 238 . 1 . 1 114 114 ASN H H 1 8.5980 0.0000 . 1 . . . . . 114 ASN H . 54056 1 239 . 1 . 1 114 114 ASN C C 13 177.1620 0.0000 . 1 . . . . . 114 ASN C . 54056 1 240 . 1 . 1 114 114 ASN CA C 13 55.8510 0.0000 . 1 . . . . . 114 ASN CA . 54056 1 241 . 1 . 1 114 114 ASN CB C 13 35.3990 0.0000 . 1 . . . . . 114 ASN CB . 54056 1 242 . 1 . 1 114 114 ASN N N 15 121.3020 0.0000 . 1 . . . . . 114 ASN N . 54056 1 243 . 1 . 1 115 115 ASP H H 1 8.9090 0.0000 . 1 . . . . . 115 ASP H . 54056 1 244 . 1 . 1 115 115 ASP C C 13 179.0250 0.0000 . 1 . . . . . 115 ASP C . 54056 1 245 . 1 . 1 115 115 ASP CA C 13 57.7350 0.0000 . 1 . . . . . 115 ASP CA . 54056 1 246 . 1 . 1 115 115 ASP N N 15 119.7340 0.0000 . 1 . . . . . 115 ASP N . 54056 1 247 . 1 . 1 116 116 LYS H H 1 7.7770 0.0000 . 1 . . . . . 116 LYS H . 54056 1 248 . 1 . 1 116 116 LYS C C 13 178.2950 0.0000 . 1 . . . . . 116 LYS C . 54056 1 249 . 1 . 1 116 116 LYS CA C 13 59.2180 0.0000 . 1 . . . . . 116 LYS CA . 54056 1 250 . 1 . 1 116 116 LYS CB C 13 31.4010 0.0000 . 1 . . . . . 116 LYS CB . 54056 1 251 . 1 . 1 116 116 LYS N N 15 121.7610 0.0000 . 1 . . . . . 116 LYS N . 54056 1 252 . 1 . 1 117 117 ILE H H 1 8.9780 0.0000 . 1 . . . . . 117 ILE H . 54056 1 253 . 1 . 1 117 117 ILE C C 13 176.6990 0.0000 . 1 . . . . . 117 ILE C . 54056 1 254 . 1 . 1 117 117 ILE CA C 13 65.0610 0.0000 . 1 . . . . . 117 ILE CA . 54056 1 255 . 1 . 1 117 117 ILE N N 15 118.3340 0.0000 . 1 . . . . . 117 ILE N . 54056 1 256 . 1 . 1 118 118 LYS H H 1 8.5190 0.0000 . 1 . . . . . 118 LYS H . 54056 1 257 . 1 . 1 118 118 LYS C C 13 177.1210 0.0000 . 1 . . . . . 118 LYS C . 54056 1 258 . 1 . 1 118 118 LYS CA C 13 60.0530 0.0000 . 1 . . . . . 118 LYS CA . 54056 1 259 . 1 . 1 118 118 LYS CB C 13 31.6120 0.0000 . 1 . . . . . 118 LYS CB . 54056 1 260 . 1 . 1 118 118 LYS N N 15 119.4370 0.0000 . 1 . . . . . 118 LYS N . 54056 1 261 . 1 . 1 119 119 LYS H H 1 7.5350 0.0000 . 1 . . . . . 119 LYS H . 54056 1 262 . 1 . 1 119 119 LYS C C 13 178.3430 0.0000 . 1 . . . . . 119 LYS C . 54056 1 263 . 1 . 1 119 119 LYS CA C 13 59.4480 0.0000 . 1 . . . . . 119 LYS CA . 54056 1 264 . 1 . 1 119 119 LYS CB C 13 32.0850 0.0000 . 1 . . . . . 119 LYS CB . 54056 1 265 . 1 . 1 119 119 LYS N N 15 116.8610 0.0000 . 1 . . . . . 119 LYS N . 54056 1 266 . 1 . 1 120 120 VAL H H 1 8.6250 0.0000 . 1 . . . . . 120 VAL H . 54056 1 267 . 1 . 1 120 120 VAL C C 13 178.8500 0.0000 . 1 . . . . . 120 VAL C . 54056 1 268 . 1 . 1 120 120 VAL CA C 13 65.5280 0.0000 . 1 . . . . . 120 VAL CA . 54056 1 269 . 1 . 1 120 120 VAL CB C 13 30.7380 0.0000 . 1 . . . . . 120 VAL CB . 54056 1 270 . 1 . 1 120 120 VAL N N 15 117.7660 0.0000 . 1 . . . . . 120 VAL N . 54056 1 271 . 1 . 1 121 121 TYR H H 1 8.9550 0.0000 . 1 . . . . . 121 TYR H . 54056 1 272 . 1 . 1 121 121 TYR C C 13 175.5360 0.0000 . 1 . . . . . 121 TYR C . 54056 1 273 . 1 . 1 121 121 TYR N N 15 122.0470 0.0000 . 1 . . . . . 121 TYR N . 54056 1 274 . 1 . 1 122 122 ILE H H 1 8.0700 0.0000 . 1 . . . . . 122 ILE H . 54056 1 275 . 1 . 1 122 122 ILE CA C 13 64.6780 0.0000 . 1 . . . . . 122 ILE CA . 54056 1 276 . 1 . 1 122 122 ILE N N 15 116.6560 0.0000 . 1 . . . . . 122 ILE N . 54056 1 277 . 1 . 1 123 123 GLU H H 1 8.5090 0.0000 . 1 . . . . . 123 GLU H . 54056 1 278 . 1 . 1 123 123 GLU C C 13 178.1790 0.0000 . 1 . . . . . 123 GLU C . 54056 1 279 . 1 . 1 123 123 GLU CA C 13 57.8700 0.0000 . 1 . . . . . 123 GLU CA . 54056 1 280 . 1 . 1 123 123 GLU CB C 13 29.5550 0.0000 . 1 . . . . . 123 GLU CB . 54056 1 281 . 1 . 1 123 123 GLU N N 15 112.7680 0.0000 . 1 . . . . . 123 GLU N . 54056 1 282 . 1 . 1 124 124 LYS H H 1 8.0760 0.0000 . 1 . . . . . 124 LYS H . 54056 1 283 . 1 . 1 124 124 LYS C C 13 176.9020 0.0000 . 1 . . . . . 124 LYS C . 54056 1 284 . 1 . 1 124 124 LYS CA C 13 55.5210 0.0000 . 1 . . . . . 124 LYS CA . 54056 1 285 . 1 . 1 124 124 LYS N N 15 113.1080 0.0000 . 1 . . . . . 124 LYS N . 54056 1 286 . 1 . 1 125 125 ILE H H 1 7.5850 0.0000 . 1 . . . . . 125 ILE H . 54056 1 287 . 1 . 1 125 125 ILE CA C 13 65.2920 0.0000 . 1 . . . . . 125 ILE CA . 54056 1 288 . 1 . 1 125 125 ILE CB C 13 35.3590 0.0000 . 1 . . . . . 125 ILE CB . 54056 1 289 . 1 . 1 125 125 ILE N N 15 117.6020 0.0000 . 1 . . . . . 125 ILE N . 54056 1 290 . 1 . 1 127 127 PRO C C 13 177.1230 0.0000 . 1 . . . . . 127 PRO C . 54056 1 291 . 1 . 1 127 127 PRO CA C 13 64.9780 0.0000 . 1 . . . . . 127 PRO CA . 54056 1 292 . 1 . 1 127 127 PRO CB C 13 30.4660 0.0000 . 1 . . . . . 127 PRO CB . 54056 1 293 . 1 . 1 128 128 LEU H H 1 7.0340 0.0000 . 1 . . . . . 128 LEU H . 54056 1 294 . 1 . 1 128 128 LEU C C 13 179.4200 0.0000 . 1 . . . . . 128 LEU C . 54056 1 295 . 1 . 1 128 128 LEU CA C 13 55.3510 0.0000 . 1 . . . . . 128 LEU CA . 54056 1 296 . 1 . 1 128 128 LEU CB C 13 42.3050 0.0000 . 1 . . . . . 128 LEU CB . 54056 1 297 . 1 . 1 128 128 LEU N N 15 112.6560 0.0000 . 1 . . . . . 128 LEU N . 54056 1 298 . 1 . 1 129 129 ILE H H 1 7.7840 0.0000 . 1 . . . . . 129 ILE H . 54056 1 299 . 1 . 1 129 129 ILE C C 13 173.7800 0.0000 . 1 . . . . . 129 ILE C . 54056 1 300 . 1 . 1 129 129 ILE CA C 13 61.5350 0.0000 . 1 . . . . . 129 ILE CA . 54056 1 301 . 1 . 1 129 129 ILE N N 15 110.0560 0.0000 . 1 . . . . . 129 ILE N . 54056 1 302 . 1 . 1 130 130 SER H H 1 7.0450 0.0000 . 1 . . . . . 130 SER H . 54056 1 303 . 1 . 1 130 130 SER C C 13 174.8310 0.0000 . 1 . . . . . 130 SER C . 54056 1 304 . 1 . 1 130 130 SER CA C 13 59.4290 0.0000 . 1 . . . . . 130 SER CA . 54056 1 305 . 1 . 1 130 130 SER CB C 13 64.1970 0.0000 . 1 . . . . . 130 SER CB . 54056 1 306 . 1 . 1 130 130 SER N N 15 113.6420 0.0000 . 1 . . . . . 130 SER N . 54056 1 307 . 1 . 1 131 131 LYS H H 1 7.7350 0.0000 . 1 . . . . . 131 LYS H . 54056 1 308 . 1 . 1 131 131 LYS C C 13 175.3830 0.0000 . 1 . . . . . 131 LYS C . 54056 1 309 . 1 . 1 131 131 LYS CA C 13 58.1980 0.0000 . 1 . . . . . 131 LYS CA . 54056 1 310 . 1 . 1 131 131 LYS CB C 13 32.4070 0.0000 . 1 . . . . . 131 LYS CB . 54056 1 311 . 1 . 1 131 131 LYS N N 15 121.8010 0.0000 . 1 . . . . . 131 LYS N . 54056 1 312 . 1 . 1 132 132 ARG H H 1 7.0560 0.0000 . 1 . . . . . 132 ARG H . 54056 1 313 . 1 . 1 132 132 ARG C C 13 173.8630 0.0000 . 1 . . . . . 132 ARG C . 54056 1 314 . 1 . 1 132 132 ARG CA C 13 53.5380 0.0000 . 1 . . . . . 132 ARG CA . 54056 1 315 . 1 . 1 132 132 ARG CB C 13 30.9360 0.0000 . 1 . . . . . 132 ARG CB . 54056 1 316 . 1 . 1 132 132 ARG N N 15 107.1900 0.0000 . 1 . . . . . 132 ARG N . 54056 1 317 . 1 . 1 133 133 ASP H H 1 8.8860 0.0000 . 1 . . . . . 133 ASP H . 54056 1 318 . 1 . 1 133 133 ASP C C 13 176.5900 0.0000 . 1 . . . . . 133 ASP C . 54056 1 319 . 1 . 1 133 133 ASP CB C 13 40.7320 0.0000 . 1 . . . . . 133 ASP CB . 54056 1 320 . 1 . 1 133 133 ASP N N 15 121.0770 0.0000 . 1 . . . . . 133 ASP N . 54056 1 321 . 1 . 1 134 134 GLY H H 1 8.3470 0.0000 . 1 . . . . . 134 GLY H . 54056 1 322 . 1 . 1 134 134 GLY C C 13 172.0520 0.0000 . 1 . . . . . 134 GLY C . 54056 1 323 . 1 . 1 134 134 GLY CA C 13 44.1720 0.0000 . 1 . . . . . 134 GLY CA . 54056 1 324 . 1 . 1 134 134 GLY N N 15 109.7490 0.0000 . 1 . . . . . 134 GLY N . 54056 1 325 . 1 . 1 150 150 CYS C C 13 177.0210 0.0000 . 1 . . . . . 150 CYS C . 54056 1 326 . 1 . 1 150 150 CYS CA C 13 62.3420 0.0000 . 1 . . . . . 150 CYS CA . 54056 1 327 . 1 . 1 150 150 CYS CB C 13 26.7800 0.0000 . 1 . . . . . 150 CYS CB . 54056 1 328 . 1 . 1 151 151 LEU H H 1 8.8820 0.0000 . 1 . . . . . 151 LEU H . 54056 1 329 . 1 . 1 151 151 LEU C C 13 179.1660 0.0000 . 1 . . . . . 151 LEU C . 54056 1 330 . 1 . 1 151 151 LEU CA C 13 58.0760 0.0000 . 1 . . . . . 151 LEU CA . 54056 1 331 . 1 . 1 151 151 LEU CB C 13 39.4380 0.0000 . 1 . . . . . 151 LEU CB . 54056 1 332 . 1 . 1 151 151 LEU N N 15 120.6440 0.0000 . 1 . . . . . 151 LEU N . 54056 1 333 . 1 . 1 152 152 GLN H H 1 8.8910 0.0000 . 1 . . . . . 152 GLN H . 54056 1 334 . 1 . 1 152 152 GLN C C 13 180.0200 0.0000 . 1 . . . . . 152 GLN C . 54056 1 335 . 1 . 1 152 152 GLN CA C 13 59.2460 0.0000 . 1 . . . . . 152 GLN CA . 54056 1 336 . 1 . 1 152 152 GLN N N 15 117.6450 0.0000 . 1 . . . . . 152 GLN N . 54056 1 337 . 1 . 1 161 161 GLY C C 13 174.4790 0.0000 . 1 . . . . . 161 GLY C . 54056 1 338 . 1 . 1 161 161 GLY CA C 13 46.8350 0.0000 . 1 . . . . . 161 GLY CA . 54056 1 339 . 1 . 1 162 162 LYS H H 1 7.5390 0.0000 . 1 . . . . . 162 LYS H . 54056 1 340 . 1 . 1 162 162 LYS C C 13 176.0270 0.0000 . 1 . . . . . 162 LYS C . 54056 1 341 . 1 . 1 162 162 LYS CA C 13 59.9870 0.0000 . 1 . . . . . 162 LYS CA . 54056 1 342 . 1 . 1 162 162 LYS CB C 13 31.5250 0.0000 . 1 . . . . . 162 LYS CB . 54056 1 343 . 1 . 1 162 162 LYS N N 15 118.8680 0.0000 . 1 . . . . . 162 LYS N . 54056 1 344 . 1 . 1 163 163 PHE H H 1 6.6900 0.0000 . 1 . . . . . 163 PHE H . 54056 1 345 . 1 . 1 163 163 PHE C C 13 177.4000 0.0000 . 1 . . . . . 163 PHE C . 54056 1 346 . 1 . 1 163 163 PHE CA C 13 60.7210 0.0000 . 1 . . . . . 163 PHE CA . 54056 1 347 . 1 . 1 163 163 PHE N N 15 114.8030 0.0000 . 1 . . . . . 163 PHE N . 54056 1 348 . 1 . 1 164 164 VAL H H 1 7.3010 0.0000 . 1 . . . . . 164 VAL H . 54056 1 349 . 1 . 1 164 164 VAL C C 13 177.5390 0.0000 . 1 . . . . . 164 VAL C . 54056 1 350 . 1 . 1 164 164 VAL CA C 13 65.9390 0.0000 . 1 . . . . . 164 VAL CA . 54056 1 351 . 1 . 1 164 164 VAL N N 15 117.4020 0.0000 . 1 . . . . . 164 VAL N . 54056 1 352 . 1 . 1 165 165 ALA H H 1 8.1900 0.0000 . 1 . . . . . 165 ALA H . 54056 1 353 . 1 . 1 165 165 ALA C C 13 178.8370 0.0000 . 1 . . . . . 165 ALA C . 54056 1 354 . 1 . 1 165 165 ALA CA C 13 54.5970 0.0000 . 1 . . . . . 165 ALA CA . 54056 1 355 . 1 . 1 165 165 ALA CB C 13 17.9260 0.0000 . 1 . . . . . 165 ALA CB . 54056 1 356 . 1 . 1 165 165 ALA N N 15 119.5440 0.0000 . 1 . . . . . 165 ALA N . 54056 1 357 . 1 . 1 166 166 GLU H H 1 7.6860 0.0000 . 1 . . . . . 166 GLU H . 54056 1 358 . 1 . 1 166 166 GLU C C 13 177.8690 0.0000 . 1 . . . . . 166 GLU C . 54056 1 359 . 1 . 1 166 166 GLU CA C 13 58.3470 0.0000 . 1 . . . . . 166 GLU CA . 54056 1 360 . 1 . 1 166 166 GLU CB C 13 27.7590 0.0000 . 1 . . . . . 166 GLU CB . 54056 1 361 . 1 . 1 166 166 GLU N N 15 118.7430 0.0000 . 1 . . . . . 166 GLU N . 54056 1 362 . 1 . 1 167 167 ALA H H 1 8.2300 0.0000 . 1 . . . . . 167 ALA H . 54056 1 363 . 1 . 1 167 167 ALA C C 13 181.2320 0.0000 . 1 . . . . . 167 ALA C . 54056 1 364 . 1 . 1 167 167 ALA CA C 13 54.7630 0.0000 . 1 . . . . . 167 ALA CA . 54056 1 365 . 1 . 1 167 167 ALA CB C 13 17.4480 0.0000 . 1 . . . . . 167 ALA CB . 54056 1 366 . 1 . 1 167 167 ALA N N 15 120.5010 0.0000 . 1 . . . . . 167 ALA N . 54056 1 367 . 1 . 1 168 168 LYS H H 1 8.4000 0.0000 . 1 . . . . . 168 LYS H . 54056 1 368 . 1 . 1 168 168 LYS C C 13 179.0470 0.0000 . 1 . . . . . 168 LYS C . 54056 1 369 . 1 . 1 168 168 LYS CA C 13 59.7540 0.0000 . 1 . . . . . 168 LYS CA . 54056 1 370 . 1 . 1 168 168 LYS CB C 13 30.6440 0.0000 . 1 . . . . . 168 LYS CB . 54056 1 371 . 1 . 1 168 168 LYS N N 15 120.0710 0.0000 . 1 . . . . . 168 LYS N . 54056 1 372 . 1 . 1 169 169 PHE H H 1 8.6070 0.0000 . 1 . . . . . 169 PHE H . 54056 1 373 . 1 . 1 169 169 PHE C C 13 175.9500 0.0000 . 1 . . . . . 169 PHE C . 54056 1 374 . 1 . 1 169 169 PHE CA C 13 61.4380 0.0000 . 1 . . . . . 169 PHE CA . 54056 1 375 . 1 . 1 169 169 PHE CB C 13 37.8180 0.0000 . 1 . . . . . 169 PHE CB . 54056 1 376 . 1 . 1 169 169 PHE N N 15 121.1530 0.0000 . 1 . . . . . 169 PHE N . 54056 1 377 . 1 . 1 170 170 GLN H H 1 8.2410 0.0000 . 1 . . . . . 170 GLN H . 54056 1 378 . 1 . 1 170 170 GLN C C 13 178.3010 0.0000 . 1 . . . . . 170 GLN C . 54056 1 379 . 1 . 1 170 170 GLN CA C 13 57.6710 0.0000 . 1 . . . . . 170 GLN CA . 54056 1 380 . 1 . 1 170 170 GLN CB C 13 26.8760 0.0000 . 1 . . . . . 170 GLN CB . 54056 1 381 . 1 . 1 170 170 GLN N N 15 111.0370 0.0000 . 1 . . . . . 170 GLN N . 54056 1 382 . 1 . 1 171 171 SER H H 1 7.7670 0.0000 . 1 . . . . . 171 SER H . 54056 1 383 . 1 . 1 171 171 SER C C 13 174.2930 0.0000 . 1 . . . . . 171 SER C . 54056 1 384 . 1 . 1 171 171 SER CA C 13 59.9320 0.0000 . 1 . . . . . 171 SER CA . 54056 1 385 . 1 . 1 171 171 SER CB C 13 63.1760 0.0000 . 1 . . . . . 171 SER CB . 54056 1 386 . 1 . 1 171 171 SER N N 15 114.5190 0.0000 . 1 . . . . . 171 SER N . 54056 1 387 . 1 . 1 172 172 ASP H H 1 7.4440 0.0000 . 1 . . . . . 172 ASP H . 54056 1 388 . 1 . 1 172 172 ASP C C 13 172.9590 0.0000 . 1 . . . . . 172 ASP C . 54056 1 389 . 1 . 1 172 172 ASP CA C 13 53.3650 0.0000 . 1 . . . . . 172 ASP CA . 54056 1 390 . 1 . 1 172 172 ASP CB C 13 39.1770 0.0000 . 1 . . . . . 172 ASP CB . 54056 1 391 . 1 . 1 172 172 ASP N N 15 123.0370 0.0000 . 1 . . . . . 172 ASP N . 54056 1 392 . 1 . 1 173 173 ILE H H 1 8.6810 0.0000 . 1 . . . . . 173 ILE H . 54056 1 393 . 1 . 1 173 173 ILE C C 13 177.8780 0.0000 . 1 . . . . . 173 ILE C . 54056 1 394 . 1 . 1 173 173 ILE CA C 13 66.0070 0.0000 . 1 . . . . . 173 ILE CA . 54056 1 395 . 1 . 1 173 173 ILE CB C 13 34.5930 0.0000 . 1 . . . . . 173 ILE CB . 54056 1 396 . 1 . 1 173 173 ILE N N 15 125.3910 0.0000 . 1 . . . . . 173 ILE N . 54056 1 397 . 1 . 1 174 174 PRO C C 13 179.6440 0.0000 . 1 . . . . . 174 PRO C . 54056 1 398 . 1 . 1 174 174 PRO CA C 13 66.0860 0.0000 . 1 . . . . . 174 PRO CA . 54056 1 399 . 1 . 1 174 174 PRO CB C 13 30.2380 0.0000 . 1 . . . . . 174 PRO CB . 54056 1 400 . 1 . 1 175 175 LEU H H 1 7.1450 0.0000 . 1 . . . . . 175 LEU H . 54056 1 401 . 1 . 1 175 175 LEU C C 13 179.0260 0.0000 . 1 . . . . . 175 LEU C . 54056 1 402 . 1 . 1 175 175 LEU CA C 13 57.6480 0.0000 . 1 . . . . . 175 LEU CA . 54056 1 403 . 1 . 1 175 175 LEU CB C 13 41.4310 0.0000 . 1 . . . . . 175 LEU CB . 54056 1 404 . 1 . 1 175 175 LEU N N 15 118.9610 0.0000 . 1 . . . . . 175 LEU N . 54056 1 405 . 1 . 1 176 176 TYR H H 1 8.2710 0.0000 . 1 . . . . . 176 TYR H . 54056 1 406 . 1 . 1 176 176 TYR C C 13 178.4590 0.0000 . 1 . . . . . 176 TYR C . 54056 1 407 . 1 . 1 176 176 TYR CA C 13 63.9750 0.0000 . 1 . . . . . 176 TYR CA . 54056 1 408 . 1 . 1 176 176 TYR CB C 13 37.8800 0.0000 . 1 . . . . . 176 TYR CB . 54056 1 409 . 1 . 1 176 176 TYR N N 15 114.4280 0.0000 . 1 . . . . . 176 TYR N . 54056 1 410 . 1 . 1 177 177 THR C C 13 175.2800 0.0000 . 1 . . . . . 177 THR C . 54056 1 411 . 1 . 1 177 177 THR CA C 13 68.1270 0.0000 . 1 . . . . . 177 THR CA . 54056 1 412 . 1 . 1 178 178 LYS H H 1 7.1690 0.0000 . 1 . . . . . 178 LYS H . 54056 1 413 . 1 . 1 178 178 LYS C C 13 180.0100 0.0000 . 1 . . . . . 178 LYS C . 54056 1 414 . 1 . 1 178 178 LYS CA C 13 59.3700 0.0000 . 1 . . . . . 178 LYS CA . 54056 1 415 . 1 . 1 178 178 LYS CB C 13 31.0610 0.0000 . 1 . . . . . 178 LYS CB . 54056 1 416 . 1 . 1 178 178 LYS N N 15 119.9370 0.0000 . 1 . . . . . 178 LYS N . 54056 1 417 . 1 . 1 179 179 LEU H H 1 7.7610 0.0000 . 1 . . . . . 179 LEU H . 54056 1 418 . 1 . 1 179 179 LEU C C 13 178.5380 0.0000 . 1 . . . . . 179 LEU C . 54056 1 419 . 1 . 1 179 179 LEU CA C 13 57.4290 0.0000 . 1 . . . . . 179 LEU CA . 54056 1 420 . 1 . 1 179 179 LEU CB C 13 41.8140 0.0000 . 1 . . . . . 179 LEU CB . 54056 1 421 . 1 . 1 179 179 LEU N N 15 118.9640 0.0000 . 1 . . . . . 179 LEU N . 54056 1 422 . 1 . 1 180 180 ILE H H 1 9.0780 0.0000 . 1 . . . . . 180 ILE H . 54056 1 423 . 1 . 1 180 180 ILE C C 13 181.0350 0.0000 . 1 . . . . . 180 ILE C . 54056 1 424 . 1 . 1 180 180 ILE CA C 13 65.6880 0.0000 . 1 . . . . . 180 ILE CA . 54056 1 425 . 1 . 1 180 180 ILE CB C 13 38.2600 0.0000 . 1 . . . . . 180 ILE CB . 54056 1 426 . 1 . 1 180 180 ILE N N 15 119.1950 0.0000 . 1 . . . . . 180 ILE N . 54056 1 427 . 1 . 1 181 181 LYS H H 1 8.7090 0.0000 . 1 . . . . . 181 LYS H . 54056 1 428 . 1 . 1 181 181 LYS C C 13 178.5040 0.0000 . 1 . . . . . 181 LYS C . 54056 1 429 . 1 . 1 181 181 LYS CA C 13 59.2840 0.0000 . 1 . . . . . 181 LYS CA . 54056 1 430 . 1 . 1 181 181 LYS CB C 13 31.1640 0.0000 . 1 . . . . . 181 LYS CB . 54056 1 431 . 1 . 1 181 181 LYS N N 15 121.0240 0.0000 . 1 . . . . . 181 LYS N . 54056 1 432 . 1 . 1 182 182 SER H H 1 7.3350 0.0000 . 1 . . . . . 182 SER H . 54056 1 433 . 1 . 1 182 182 SER C C 13 173.0760 0.0000 . 1 . . . . . 182 SER C . 54056 1 434 . 1 . 1 182 182 SER CA C 13 58.0910 0.0000 . 1 . . . . . 182 SER CA . 54056 1 435 . 1 . 1 182 182 SER CB C 13 63.4520 0.0000 . 1 . . . . . 182 SER CB . 54056 1 436 . 1 . 1 182 182 SER N N 15 109.8620 0.0000 . 1 . . . . . 182 SER N . 54056 1 437 . 1 . 1 183 183 LYS H H 1 8.0720 0.0000 . 1 . . . . . 183 LYS H . 54056 1 438 . 1 . 1 183 183 LYS C C 13 175.3650 0.0000 . 1 . . . . . 183 LYS C . 54056 1 439 . 1 . 1 183 183 LYS CA C 13 56.7250 0.0000 . 1 . . . . . 183 LYS CA . 54056 1 440 . 1 . 1 183 183 LYS CB C 13 28.6400 0.0000 . 1 . . . . . 183 LYS CB . 54056 1 441 . 1 . 1 183 183 LYS N N 15 120.8650 0.0000 . 1 . . . . . 183 LYS N . 54056 1 442 . 1 . 1 184 184 ASP H H 1 8.3100 0.0000 . 1 . . . . . 184 ASP H . 54056 1 443 . 1 . 1 184 184 ASP C C 13 175.7550 0.0000 . 1 . . . . . 184 ASP C . 54056 1 444 . 1 . 1 184 184 ASP CA C 13 51.9140 0.0000 . 1 . . . . . 184 ASP CA . 54056 1 445 . 1 . 1 184 184 ASP CB C 13 38.5680 0.0000 . 1 . . . . . 184 ASP CB . 54056 1 446 . 1 . 1 184 184 ASP N N 15 118.0910 0.0000 . 1 . . . . . 184 ASP N . 54056 1 447 . 1 . 1 185 185 VAL H H 1 7.8400 0.0000 . 1 . . . . . 185 VAL H . 54056 1 448 . 1 . 1 185 185 VAL C C 13 177.7440 0.0000 . 1 . . . . . 185 VAL C . 54056 1 449 . 1 . 1 185 185 VAL CA C 13 66.7340 0.0000 . 1 . . . . . 185 VAL CA . 54056 1 450 . 1 . 1 185 185 VAL CB C 13 30.8560 0.0000 . 1 . . . . . 185 VAL CB . 54056 1 451 . 1 . 1 185 185 VAL N N 15 124.8490 0.0000 . 1 . . . . . 185 VAL N . 54056 1 452 . 1 . 1 186 186 GLU H H 1 8.5580 0.0000 . 1 . . . . . 186 GLU H . 54056 1 453 . 1 . 1 186 186 GLU C C 13 179.5840 0.0000 . 1 . . . . . 186 GLU C . 54056 1 454 . 1 . 1 186 186 GLU CA C 13 59.2320 0.0000 . 1 . . . . . 186 GLU CA . 54056 1 455 . 1 . 1 186 186 GLU CB C 13 28.0940 0.0000 . 1 . . . . . 186 GLU CB . 54056 1 456 . 1 . 1 186 186 GLU N N 15 119.5940 0.0000 . 1 . . . . . 186 GLU N . 54056 1 457 . 1 . 1 187 187 GLY H H 1 8.3760 0.0000 . 1 . . . . . 187 GLY H . 54056 1 458 . 1 . 1 187 187 GLY C C 13 177.2910 0.0000 . 1 . . . . . 187 GLY C . 54056 1 459 . 1 . 1 187 187 GLY CA C 13 47.0750 0.0000 . 1 . . . . . 187 GLY CA . 54056 1 460 . 1 . 1 187 187 GLY N N 15 109.3170 0.0000 . 1 . . . . . 187 GLY N . 54056 1 461 . 1 . 1 188 188 ILE H H 1 8.7130 0.0000 . 1 . . . . . 188 ILE H . 54056 1 462 . 1 . 1 188 188 ILE C C 13 177.7340 0.0000 . 1 . . . . . 188 ILE C . 54056 1 463 . 1 . 1 188 188 ILE CA C 13 66.6940 0.0000 . 1 . . . . . 188 ILE CA . 54056 1 464 . 1 . 1 188 188 ILE CB C 13 36.9820 0.0000 . 1 . . . . . 188 ILE CB . 54056 1 465 . 1 . 1 188 188 ILE N N 15 124.5710 0.0000 . 1 . . . . . 188 ILE N . 54056 1 466 . 1 . 1 189 189 MET H H 1 8.6800 0.0000 . 1 . . . . . 189 MET H . 54056 1 467 . 1 . 1 189 189 MET C C 13 178.5050 0.0000 . 1 . . . . . 189 MET C . 54056 1 468 . 1 . 1 189 189 MET CA C 13 57.7210 0.0000 . 1 . . . . . 189 MET CA . 54056 1 469 . 1 . 1 189 189 MET CB C 13 30.4660 0.0000 . 1 . . . . . 189 MET CB . 54056 1 470 . 1 . 1 189 189 MET N N 15 118.2790 0.0000 . 1 . . . . . 189 MET N . 54056 1 471 . 1 . 1 190 190 LYS H H 1 8.0460 0.0000 . 1 . . . . . 190 LYS H . 54056 1 472 . 1 . 1 190 190 LYS C C 13 177.6940 0.0000 . 1 . . . . . 190 LYS C . 54056 1 473 . 1 . 1 190 190 LYS CA C 13 58.2550 0.0000 . 1 . . . . . 190 LYS CA . 54056 1 474 . 1 . 1 190 190 LYS CB C 13 31.5730 0.0000 . 1 . . . . . 190 LYS CB . 54056 1 475 . 1 . 1 190 190 LYS N N 15 117.3740 0.0000 . 1 . . . . . 190 LYS N . 54056 1 476 . 1 . 1 191 191 ASN H H 1 7.6430 0.0000 . 1 . . . . . 191 ASN H . 54056 1 477 . 1 . 1 191 191 ASN C C 13 176.7080 0.0000 . 1 . . . . . 191 ASN C . 54056 1 478 . 1 . 1 191 191 ASN CA C 13 56.0230 0.0000 . 1 . . . . . 191 ASN CA . 54056 1 479 . 1 . 1 191 191 ASN CB C 13 39.7260 0.0000 . 1 . . . . . 191 ASN CB . 54056 1 480 . 1 . 1 191 191 ASN N N 15 115.6070 0.0000 . 1 . . . . . 191 ASN N . 54056 1 481 . 1 . 1 192 192 ILE H H 1 8.3730 0.0000 . 1 . . . . . 192 ILE H . 54056 1 482 . 1 . 1 192 192 ILE C C 13 176.6810 0.0000 . 1 . . . . . 192 ILE C . 54056 1 483 . 1 . 1 192 192 ILE CA C 13 63.0020 0.0000 . 1 . . . . . 192 ILE CA . 54056 1 484 . 1 . 1 192 192 ILE CB C 13 37.3540 0.0000 . 1 . . . . . 192 ILE CB . 54056 1 485 . 1 . 1 192 192 ILE N N 15 112.2060 0.0000 . 1 . . . . . 192 ILE N . 54056 1 486 . 1 . 1 193 193 THR H H 1 7.3600 0.0000 . 1 . . . . . 193 THR H . 54056 1 487 . 1 . 1 193 193 THR CA C 13 61.3980 0.0000 . 1 . . . . . 193 THR CA . 54056 1 488 . 1 . 1 193 193 THR CB C 13 69.7410 0.0000 . 1 . . . . . 193 THR CB . 54056 1 489 . 1 . 1 193 193 THR N N 15 117.2970 0.0000 . 1 . . . . . 193 THR N . 54056 1 490 . 1 . 1 195 195 SER C C 13 175.7170 0.0000 . 1 . . . . . 195 SER C . 54056 1 491 . 1 . 1 195 195 SER CA C 13 61.6280 0.0000 . 1 . . . . . 195 SER CA . 54056 1 492 . 1 . 1 196 196 ALA H H 1 8.1660 0.0000 . 1 . . . . . 196 ALA H . 54056 1 493 . 1 . 1 196 196 ALA C C 13 180.9840 0.0000 . 1 . . . . . 196 ALA C . 54056 1 494 . 1 . 1 196 196 ALA CA C 13 54.4960 0.0000 . 1 . . . . . 196 ALA CA . 54056 1 495 . 1 . 1 196 196 ALA CB C 13 17.2810 0.0000 . 1 . . . . . 196 ALA CB . 54056 1 496 . 1 . 1 196 196 ALA N N 15 124.7160 0.0000 . 1 . . . . . 196 ALA N . 54056 1 497 . 1 . 1 197 197 VAL H H 1 7.6340 0.0000 . 1 . . . . . 197 VAL H . 54056 1 498 . 1 . 1 197 197 VAL C C 13 178.7570 0.0000 . 1 . . . . . 197 VAL C . 54056 1 499 . 1 . 1 197 197 VAL CA C 13 65.4270 0.0000 . 1 . . . . . 197 VAL CA . 54056 1 500 . 1 . 1 197 197 VAL CB C 13 31.0860 0.0000 . 1 . . . . . 197 VAL CB . 54056 1 501 . 1 . 1 197 197 VAL N N 15 119.5780 0.0000 . 1 . . . . . 197 VAL N . 54056 1 502 . 1 . 1 198 198 GLU H H 1 8.1440 0.0000 . 1 . . . . . 198 GLU H . 54056 1 503 . 1 . 1 198 198 GLU C C 13 178.4750 0.0000 . 1 . . . . . 198 GLU C . 54056 1 504 . 1 . 1 198 198 GLU CA C 13 59.8660 0.0000 . 1 . . . . . 198 GLU CA . 54056 1 505 . 1 . 1 198 198 GLU N N 15 120.3990 0.0000 . 1 . . . . . 198 GLU N . 54056 1 506 . 1 . 1 199 199 GLU H H 1 8.2300 0.0000 . 1 . . . . . 199 GLU H . 54056 1 507 . 1 . 1 199 199 GLU C C 13 179.6790 0.0000 . 1 . . . . . 199 GLU C . 54056 1 508 . 1 . 1 199 199 GLU CA C 13 59.2660 0.0000 . 1 . . . . . 199 GLU CA . 54056 1 509 . 1 . 1 199 199 GLU N N 15 117.4180 0.0000 . 1 . . . . . 199 GLU N . 54056 1 510 . 1 . 1 200 200 LYS H H 1 7.3730 0.0000 . 1 . . . . . 200 LYS H . 54056 1 511 . 1 . 1 200 200 LYS C C 13 180.1460 0.0000 . 1 . . . . . 200 LYS C . 54056 1 512 . 1 . 1 200 200 LYS CA C 13 58.0520 0.0000 . 1 . . . . . 200 LYS CA . 54056 1 513 . 1 . 1 200 200 LYS CB C 13 30.8120 0.0000 . 1 . . . . . 200 LYS CB . 54056 1 514 . 1 . 1 200 200 LYS N N 15 118.6610 0.0000 . 1 . . . . . 200 LYS N . 54056 1 515 . 1 . 1 201 201 ILE H H 1 8.1350 0.0000 . 1 . . . . . 201 ILE H . 54056 1 516 . 1 . 1 201 201 ILE C C 13 177.7400 0.0000 . 1 . . . . . 201 ILE C . 54056 1 517 . 1 . 1 201 201 ILE CA C 13 65.4190 0.0000 . 1 . . . . . 201 ILE CA . 54056 1 518 . 1 . 1 201 201 ILE CB C 13 37.4310 0.0000 . 1 . . . . . 201 ILE CB . 54056 1 519 . 1 . 1 201 201 ILE N N 15 123.4780 0.0000 . 1 . . . . . 201 ILE N . 54056 1 520 . 1 . 1 202 202 LEU H H 1 7.8490 0.0000 . 1 . . . . . 202 LEU H . 54056 1 521 . 1 . 1 202 202 LEU C C 13 180.6430 0.0000 . 1 . . . . . 202 LEU C . 54056 1 522 . 1 . 1 202 202 LEU CA C 13 57.5360 0.0000 . 1 . . . . . 202 LEU CA . 54056 1 523 . 1 . 1 202 202 LEU CB C 13 38.6380 0.0000 . 1 . . . . . 202 LEU CB . 54056 1 524 . 1 . 1 202 202 LEU N N 15 117.3740 0.0000 . 1 . . . . . 202 LEU N . 54056 1 525 . 1 . 1 203 203 GLU H H 1 7.9820 0.0000 . 1 . . . . . 203 GLU H . 54056 1 526 . 1 . 1 203 203 GLU C C 13 178.6540 0.0000 . 1 . . . . . 203 GLU C . 54056 1 527 . 1 . 1 203 203 GLU CA C 13 59.2930 0.0000 . 1 . . . . . 203 GLU CA . 54056 1 528 . 1 . 1 203 203 GLU CB C 13 29.0160 0.0000 . 1 . . . . . 203 GLU CB . 54056 1 529 . 1 . 1 203 203 GLU N N 15 121.2550 0.0000 . 1 . . . . . 203 GLU N . 54056 1 530 . 1 . 1 204 204 ARG H H 1 7.9890 0.0000 . 1 . . . . . 204 ARG H . 54056 1 531 . 1 . 1 204 204 ARG C C 13 178.8270 0.0000 . 1 . . . . . 204 ARG C . 54056 1 532 . 1 . 1 204 204 ARG CA C 13 59.1810 0.0000 . 1 . . . . . 204 ARG CA . 54056 1 533 . 1 . 1 204 204 ARG CB C 13 28.8300 0.0000 . 1 . . . . . 204 ARG CB . 54056 1 534 . 1 . 1 204 204 ARG N N 15 122.0020 0.0000 . 1 . . . . . 204 ARG N . 54056 1 535 . 1 . 1 205 205 LEU H H 1 8.7560 0.0000 . 1 . . . . . 205 LEU H . 54056 1 536 . 1 . 1 205 205 LEU C C 13 178.3610 0.0000 . 1 . . . . . 205 LEU C . 54056 1 537 . 1 . 1 205 205 LEU CA C 13 57.4500 0.0000 . 1 . . . . . 205 LEU CA . 54056 1 538 . 1 . 1 205 205 LEU CB C 13 41.8510 0.0000 . 1 . . . . . 205 LEU CB . 54056 1 539 . 1 . 1 205 205 LEU N N 15 117.3370 0.0000 . 1 . . . . . 205 LEU N . 54056 1 540 . 1 . 1 206 206 THR H H 1 7.8230 0.0000 . 1 . . . . . 206 THR H . 54056 1 541 . 1 . 1 206 206 THR CA C 13 66.9960 0.0000 . 1 . . . . . 206 THR CA . 54056 1 542 . 1 . 1 206 206 THR CB C 13 68.4460 0.0000 . 1 . . . . . 206 THR CB . 54056 1 543 . 1 . 1 206 206 THR N N 15 114.4660 0.0000 . 1 . . . . . 206 THR N . 54056 1 544 . 1 . 1 207 207 LYS H H 1 7.6580 0.0000 . 1 . . . . . 207 LYS H . 54056 1 545 . 1 . 1 207 207 LYS C C 13 179.6410 0.0000 . 1 . . . . . 207 LYS C . 54056 1 546 . 1 . 1 207 207 LYS CA C 13 58.2780 0.0000 . 1 . . . . . 207 LYS CA . 54056 1 547 . 1 . 1 207 207 LYS CB C 13 30.7210 0.0000 . 1 . . . . . 207 LYS CB . 54056 1 548 . 1 . 1 207 207 LYS N N 15 121.2100 0.0000 . 1 . . . . . 207 LYS N . 54056 1 549 . 1 . 1 208 208 LYS H H 1 8.8370 0.0000 . 1 . . . . . 208 LYS H . 54056 1 550 . 1 . 1 208 208 LYS C C 13 178.7420 0.0000 . 1 . . . . . 208 LYS C . 54056 1 551 . 1 . 1 208 208 LYS CA C 13 60.1480 0.0000 . 1 . . . . . 208 LYS CA . 54056 1 552 . 1 . 1 208 208 LYS CB C 13 30.7700 0.0000 . 1 . . . . . 208 LYS CB . 54056 1 553 . 1 . 1 208 208 LYS N N 15 116.8380 0.0000 . 1 . . . . . 208 LYS N . 54056 1 554 . 1 . 1 209 209 ALA H H 1 8.4760 0.0000 . 1 . . . . . 209 ALA H . 54056 1 555 . 1 . 1 209 209 ALA CB C 13 16.7880 0.0000 . 1 . . . . . 209 ALA CB . 54056 1 556 . 1 . 1 209 209 ALA N N 15 121.0220 0.0000 . 1 . . . . . 209 ALA N . 54056 1 557 . 1 . 1 210 210 GLU H H 1 7.8760 0.0000 . 1 . . . . . 210 GLU H . 54056 1 558 . 1 . 1 210 210 GLU C C 13 179.1630 0.0000 . 1 . . . . . 210 GLU C . 54056 1 559 . 1 . 1 210 210 GLU CA C 13 58.7860 0.0000 . 1 . . . . . 210 GLU CA . 54056 1 560 . 1 . 1 210 210 GLU CB C 13 28.8640 0.0000 . 1 . . . . . 210 GLU CB . 54056 1 561 . 1 . 1 210 210 GLU N N 15 116.2980 0.0000 . 1 . . . . . 210 GLU N . 54056 1 562 . 1 . 1 211 211 VAL H H 1 7.8410 0.0000 . 1 . . . . . 211 VAL H . 54056 1 563 . 1 . 1 211 211 VAL C C 13 176.9180 0.0000 . 1 . . . . . 211 VAL C . 54056 1 564 . 1 . 1 211 211 VAL CA C 13 64.9970 0.0000 . 1 . . . . . 211 VAL CA . 54056 1 565 . 1 . 1 211 211 VAL CB C 13 31.3550 0.0000 . 1 . . . . . 211 VAL CB . 54056 1 566 . 1 . 1 211 211 VAL N N 15 117.7320 0.0000 . 1 . . . . . 211 VAL N . 54056 1 567 . 1 . 1 221 221 ILE C C 13 174.1620 0.0000 . 1 . . . . . 221 ILE C . 54056 1 568 . 1 . 1 221 221 ILE CA C 13 44.8920 0.0000 . 1 . . . . . 221 ILE CA . 54056 1 569 . 1 . 1 222 222 GLU H H 1 7.9040 0.0000 . 1 . . . . . 222 GLU H . 54056 1 570 . 1 . 1 222 222 GLU C C 13 176.5910 0.0000 . 1 . . . . . 222 GLU C . 54056 1 571 . 1 . 1 222 222 GLU CA C 13 55.3040 0.0000 . 1 . . . . . 222 GLU CA . 54056 1 572 . 1 . 1 222 222 GLU CB C 13 30.0150 0.0000 . 1 . . . . . 222 GLU CB . 54056 1 573 . 1 . 1 222 222 GLU N N 15 119.2880 0.0000 . 1 . . . . . 222 GLU N . 54056 1 574 . 1 . 1 223 223 ARG H H 1 8.4720 0.0000 . 1 . . . . . 223 ARG H . 54056 1 575 . 1 . 1 223 223 ARG C C 13 175.1860 0.0000 . 1 . . . . . 223 ARG C . 54056 1 576 . 1 . 1 223 223 ARG CA C 13 55.6100 0.0000 . 1 . . . . . 223 ARG CA . 54056 1 577 . 1 . 1 223 223 ARG CB C 13 30.1700 0.0000 . 1 . . . . . 223 ARG CB . 54056 1 578 . 1 . 1 223 223 ARG N N 15 121.6840 0.0000 . 1 . . . . . 223 ARG N . 54056 1 579 . 1 . 1 224 224 ARG H H 1 8.2600 0.0000 . 1 . . . . . 224 ARG H . 54056 1 580 . 1 . 1 224 224 ARG C C 13 174.9130 0.0000 . 1 . . . . . 224 ARG C . 54056 1 581 . 1 . 1 224 224 ARG CA C 13 54.8990 0.0000 . 1 . . . . . 224 ARG CA . 54056 1 582 . 1 . 1 224 224 ARG CB C 13 29.0870 0.0000 . 1 . . . . . 224 ARG CB . 54056 1 583 . 1 . 1 224 224 ARG N N 15 124.1660 0.0000 . 1 . . . . . 224 ARG N . 54056 1 584 . 1 . 1 225 225 ILE H H 1 8.4290 0.0000 . 1 . . . . . 225 ILE H . 54056 1 585 . 1 . 1 225 225 ILE C C 13 174.5810 0.0000 . 1 . . . . . 225 ILE C . 54056 1 586 . 1 . 1 225 225 ILE CA C 13 60.2790 0.0000 . 1 . . . . . 225 ILE CA . 54056 1 587 . 1 . 1 225 225 ILE CB C 13 35.0820 0.0000 . 1 . . . . . 225 ILE CB . 54056 1 588 . 1 . 1 225 225 ILE N N 15 126.2930 0.0000 . 1 . . . . . 225 ILE N . 54056 1 589 . 1 . 1 226 226 THR H H 1 6.7580 0.0000 . 1 . . . . . 226 THR H . 54056 1 590 . 1 . 1 226 226 THR C C 13 173.0920 0.0000 . 1 . . . . . 226 THR C . 54056 1 591 . 1 . 1 226 226 THR CA C 13 58.0310 0.0000 . 1 . . . . . 226 THR CA . 54056 1 592 . 1 . 1 226 226 THR CB C 13 69.2360 0.0000 . 1 . . . . . 226 THR CB . 54056 1 593 . 1 . 1 226 226 THR N N 15 114.6820 0.0000 . 1 . . . . . 226 THR N . 54056 1 594 . 1 . 1 227 227 PRO C C 13 177.0600 0.0000 . 1 . . . . . 227 PRO C . 54056 1 595 . 1 . 1 227 227 PRO CA C 13 66.4600 0.0000 . 1 . . . . . 227 PRO CA . 54056 1 596 . 1 . 1 227 227 PRO CB C 13 32.0170 0.0000 . 1 . . . . . 227 PRO CB . 54056 1 597 . 1 . 1 228 228 GLU H H 1 9.1660 0.0000 . 1 . . . . . 228 GLU H . 54056 1 598 . 1 . 1 228 228 GLU C C 13 178.7980 0.0000 . 1 . . . . . 228 GLU C . 54056 1 599 . 1 . 1 228 228 GLU CA C 13 59.7350 0.0000 . 1 . . . . . 228 GLU CA . 54056 1 600 . 1 . 1 228 228 GLU CB C 13 27.9930 0.0000 . 1 . . . . . 228 GLU CB . 54056 1 601 . 1 . 1 228 228 GLU N N 15 114.5400 0.0000 . 1 . . . . . 228 GLU N . 54056 1 602 . 1 . 1 229 229 TYR H H 1 8.0440 0.0000 . 1 . . . . . 229 TYR H . 54056 1 603 . 1 . 1 229 229 TYR C C 13 177.2540 0.0000 . 1 . . . . . 229 TYR C . 54056 1 604 . 1 . 1 229 229 TYR CA C 13 60.5870 0.0000 . 1 . . . . . 229 TYR CA . 54056 1 605 . 1 . 1 229 229 TYR CB C 13 38.6490 0.0000 . 1 . . . . . 229 TYR CB . 54056 1 606 . 1 . 1 229 229 TYR N N 15 122.2550 0.0000 . 1 . . . . . 229 TYR N . 54056 1 607 . 1 . 1 230 230 LEU H H 1 7.9950 0.0000 . 1 . . . . . 230 LEU H . 54056 1 608 . 1 . 1 230 230 LEU C C 13 178.8250 0.0000 . 1 . . . . . 230 LEU C . 54056 1 609 . 1 . 1 230 230 LEU CA C 13 57.3900 0.0000 . 1 . . . . . 230 LEU CA . 54056 1 610 . 1 . 1 230 230 LEU CB C 13 41.6140 0.0000 . 1 . . . . . 230 LEU CB . 54056 1 611 . 1 . 1 230 230 LEU N N 15 116.8800 0.0000 . 1 . . . . . 230 LEU N . 54056 1 612 . 1 . 1 231 231 VAL H H 1 8.0760 0.0000 . 1 . . . . . 231 VAL H . 54056 1 613 . 1 . 1 231 231 VAL C C 13 177.0250 0.0000 . 1 . . . . . 231 VAL C . 54056 1 614 . 1 . 1 231 231 VAL CA C 13 66.4440 0.0000 . 1 . . . . . 231 VAL CA . 54056 1 615 . 1 . 1 231 231 VAL CB C 13 30.8910 0.0000 . 1 . . . . . 231 VAL CB . 54056 1 616 . 1 . 1 231 231 VAL N N 15 118.4350 0.0000 . 1 . . . . . 231 VAL N . 54056 1 617 . 1 . 1 232 232 LYS H H 1 7.9970 0.0000 . 1 . . . . . 232 LYS H . 54056 1 618 . 1 . 1 232 232 LYS C C 13 178.4150 0.0000 . 1 . . . . . 232 LYS C . 54056 1 619 . 1 . 1 232 232 LYS CA C 13 59.5640 0.0000 . 1 . . . . . 232 LYS CA . 54056 1 620 . 1 . 1 232 232 LYS N N 15 123.3390 0.0000 . 1 . . . . . 232 LYS N . 54056 1 621 . 1 . 1 233 233 ILE H H 1 7.4810 0.0000 . 1 . . . . . 233 ILE H . 54056 1 622 . 1 . 1 233 233 ILE CA C 13 63.5720 0.0000 . 1 . . . . . 233 ILE CA . 54056 1 623 . 1 . 1 233 233 ILE CB C 13 35.9220 0.0000 . 1 . . . . . 233 ILE CB . 54056 1 624 . 1 . 1 233 233 ILE N N 15 119.0110 0.0000 . 1 . . . . . 233 ILE N . 54056 1 625 . 1 . 1 234 234 TYR H H 1 8.1470 0.0000 . 1 . . . . . 234 TYR H . 54056 1 626 . 1 . 1 234 234 TYR C C 13 177.6260 0.0000 . 1 . . . . . 234 TYR C . 54056 1 627 . 1 . 1 234 234 TYR CA C 13 62.8110 0.0000 . 1 . . . . . 234 TYR CA . 54056 1 628 . 1 . 1 234 234 TYR CB C 13 38.4000 0.0000 . 1 . . . . . 234 TYR CB . 54056 1 629 . 1 . 1 234 234 TYR N N 15 121.2420 0.0000 . 1 . . . . . 234 TYR N . 54056 1 630 . 1 . 1 235 235 LYS H H 1 9.1100 0.0000 . 1 . . . . . 235 LYS H . 54056 1 631 . 1 . 1 235 235 LYS C C 13 177.4680 0.0000 . 1 . . . . . 235 LYS C . 54056 1 632 . 1 . 1 235 235 LYS CA C 13 58.9500 0.0000 . 1 . . . . . 235 LYS CA . 54056 1 633 . 1 . 1 235 235 LYS CB C 13 31.8710 0.0000 . 1 . . . . . 235 LYS CB . 54056 1 634 . 1 . 1 235 235 LYS N N 15 120.1900 0.0000 . 1 . . . . . 235 LYS N . 54056 1 635 . 1 . 1 236 236 GLU H H 1 8.5860 0.0000 . 1 . . . . . 236 GLU H . 54056 1 636 . 1 . 1 236 236 GLU CB C 13 29.2700 0.0000 . 1 . . . . . 236 GLU CB . 54056 1 637 . 1 . 1 236 236 GLU N N 15 114.7430 0.0000 . 1 . . . . . 236 GLU N . 54056 1 638 . 1 . 1 237 237 ILE H H 1 8.7920 0.0000 . 1 . . . . . 237 ILE H . 54056 1 639 . 1 . 1 237 237 ILE CB C 13 36.0230 0.0000 . 1 . . . . . 237 ILE CB . 54056 1 640 . 1 . 1 237 237 ILE N N 15 119.6140 0.0000 . 1 . . . . . 237 ILE N . 54056 1 641 . 1 . 1 240 240 PRO C C 13 179.2270 0.0000 . 1 . . . . . 240 PRO C . 54056 1 642 . 1 . 1 240 240 PRO CA C 13 66.6220 0.0000 . 1 . . . . . 240 PRO CA . 54056 1 643 . 1 . 1 240 240 PRO CB C 13 30.6150 0.0000 . 1 . . . . . 240 PRO CB . 54056 1 644 . 1 . 1 241 241 ILE H H 1 6.9980 0.0000 . 1 . . . . . 241 ILE H . 54056 1 645 . 1 . 1 241 241 ILE C C 13 177.8700 0.0000 . 1 . . . . . 241 ILE C . 54056 1 646 . 1 . 1 241 241 ILE CA C 13 64.1130 0.0000 . 1 . . . . . 241 ILE CA . 54056 1 647 . 1 . 1 241 241 ILE CB C 13 37.2430 0.0000 . 1 . . . . . 241 ILE CB . 54056 1 648 . 1 . 1 241 241 ILE N N 15 115.6530 0.0000 . 1 . . . . . 241 ILE N . 54056 1 649 . 1 . 1 242 242 THR H H 1 7.7130 0.0000 . 1 . . . . . 242 THR H . 54056 1 650 . 1 . 1 242 242 THR CA C 13 64.8550 0.0000 . 1 . . . . . 242 THR CA . 54056 1 651 . 1 . 1 242 242 THR CB C 13 67.7650 0.0000 . 1 . . . . . 242 THR CB . 54056 1 652 . 1 . 1 242 242 THR N N 15 109.2140 0.0000 . 1 . . . . . 242 THR N . 54056 1 653 . 1 . 1 243 243 LYS H H 1 7.0670 0.0000 . 1 . . . . . 243 LYS H . 54056 1 654 . 1 . 1 243 243 LYS C C 13 177.3740 0.0000 . 1 . . . . . 243 LYS C . 54056 1 655 . 1 . 1 243 243 LYS CA C 13 58.2440 0.0000 . 1 . . . . . 243 LYS CA . 54056 1 656 . 1 . 1 243 243 LYS CB C 13 31.6070 0.0000 . 1 . . . . . 243 LYS CB . 54056 1 657 . 1 . 1 243 243 LYS N N 15 120.5520 0.0000 . 1 . . . . . 243 LYS N . 54056 1 658 . 1 . 1 244 244 GLU H H 1 7.7420 0.0000 . 1 . . . . . 244 GLU H . 54056 1 659 . 1 . 1 244 244 GLU C C 13 179.1500 0.0000 . 1 . . . . . 244 GLU C . 54056 1 660 . 1 . 1 244 244 GLU CA C 13 59.4200 0.0000 . 1 . . . . . 244 GLU CA . 54056 1 661 . 1 . 1 244 244 GLU CB C 13 28.8060 0.0000 . 1 . . . . . 244 GLU CB . 54056 1 662 . 1 . 1 244 244 GLU N N 15 120.1020 0.0000 . 1 . . . . . 244 GLU N . 54056 1 663 . 1 . 1 245 245 VAL H H 1 7.1680 0.0000 . 1 . . . . . 245 VAL H . 54056 1 664 . 1 . 1 245 245 VAL CA C 13 65.6220 0.0000 . 1 . . . . . 245 VAL CA . 54056 1 665 . 1 . 1 245 245 VAL N N 15 115.7220 0.0000 . 1 . . . . . 245 VAL N . 54056 1 666 . 1 . 1 246 246 GLU H H 1 6.5810 0.0000 . 1 . . . . . 246 GLU H . 54056 1 667 . 1 . 1 246 246 GLU CB C 13 29.2540 0.0000 . 1 . . . . . 246 GLU CB . 54056 1 668 . 1 . 1 246 246 GLU N N 15 118.1140 0.0000 . 1 . . . . . 246 GLU N . 54056 1 669 . 1 . 1 247 247 VAL H H 1 8.0470 0.0000 . 1 . . . . . 247 VAL H . 54056 1 670 . 1 . 1 247 247 VAL C C 13 176.9790 0.0000 . 1 . . . . . 247 VAL C . 54056 1 671 . 1 . 1 247 247 VAL CA C 13 67.0390 0.0000 . 1 . . . . . 247 VAL CA . 54056 1 672 . 1 . 1 247 247 VAL CB C 13 30.9560 0.0000 . 1 . . . . . 247 VAL CB . 54056 1 673 . 1 . 1 247 247 VAL N N 15 116.7510 0.0000 . 1 . . . . . 247 VAL N . 54056 1 674 . 1 . 1 248 248 GLU H H 1 8.5200 0.0000 . 1 . . . . . 248 GLU H . 54056 1 675 . 1 . 1 248 248 GLU C C 13 178.9720 0.0000 . 1 . . . . . 248 GLU C . 54056 1 676 . 1 . 1 248 248 GLU CA C 13 59.2480 0.0000 . 1 . . . . . 248 GLU CA . 54056 1 677 . 1 . 1 248 248 GLU CB C 13 28.2350 0.0000 . 1 . . . . . 248 GLU CB . 54056 1 678 . 1 . 1 248 248 GLU N N 15 118.7270 0.0000 . 1 . . . . . 248 GLU N . 54056 1 679 . 1 . 1 249 249 TYR H H 1 8.2350 0.0000 . 1 . . . . . 249 TYR H . 54056 1 680 . 1 . 1 249 249 TYR CA C 13 62.1300 0.0000 . 1 . . . . . 249 TYR CA . 54056 1 681 . 1 . 1 249 249 TYR CB C 13 38.1950 0.0000 . 1 . . . . . 249 TYR CB . 54056 1 682 . 1 . 1 249 249 TYR N N 15 115.3580 0.0000 . 1 . . . . . 249 TYR N . 54056 1 683 . 1 . 1 250 250 LEU C C 13 178.3800 0.0000 . 1 . . . . . 250 LEU C . 54056 1 684 . 1 . 1 250 250 LEU CA C 13 57.3780 0.0000 . 1 . . . . . 250 LEU CA . 54056 1 685 . 1 . 1 250 250 LEU CB C 13 40.5970 0.0000 . 1 . . . . . 250 LEU CB . 54056 1 686 . 1 . 1 251 251 LEU H H 1 8.7330 0.0000 . 1 . . . . . 251 LEU H . 54056 1 687 . 1 . 1 251 251 LEU C C 13 178.8480 0.0000 . 1 . . . . . 251 LEU C . 54056 1 688 . 1 . 1 251 251 LEU N N 15 116.2060 0.0000 . 1 . . . . . 251 LEU N . 54056 1 689 . 1 . 1 252 252 ARG H H 1 6.5240 0.0000 . 1 . . . . . 252 ARG H . 54056 1 690 . 1 . 1 252 252 ARG C C 13 176.2740 0.0000 . 1 . . . . . 252 ARG C . 54056 1 691 . 1 . 1 252 252 ARG CA C 13 55.5520 0.0000 . 1 . . . . . 252 ARG CA . 54056 1 692 . 1 . 1 252 252 ARG CB C 13 29.7520 0.0000 . 1 . . . . . 252 ARG CB . 54056 1 693 . 1 . 1 252 252 ARG N N 15 115.5440 0.0000 . 1 . . . . . 252 ARG N . 54056 1 694 . 1 . 1 253 253 ARG H H 1 7.2560 0.0000 . 1 . . . . . 253 ARG H . 54056 1 695 . 1 . 1 253 253 ARG C C 13 176.8480 0.0000 . 1 . . . . . 253 ARG C . 54056 1 696 . 1 . 1 253 253 ARG N N 15 117.3250 0.0000 . 1 . . . . . 253 ARG N . 54056 1 697 . 1 . 1 254 254 LEU H H 1 8.2250 0.0000 . 1 . . . . . 254 LEU H . 54056 1 698 . 1 . 1 254 254 LEU C C 13 177.3540 0.0000 . 1 . . . . . 254 LEU C . 54056 1 699 . 1 . 1 254 254 LEU CA C 13 52.5160 0.0000 . 1 . . . . . 254 LEU CA . 54056 1 700 . 1 . 1 254 254 LEU N N 15 117.3420 0.0000 . 1 . . . . . 254 LEU N . 54056 1 701 . 1 . 1 255 255 GLU H H 1 7.7590 0.0000 . 1 . . . . . 255 GLU H . 54056 1 702 . 1 . 1 255 255 GLU C C 13 175.9880 0.0000 . 1 . . . . . 255 GLU C . 54056 1 703 . 1 . 1 255 255 GLU CA C 13 57.0290 0.0000 . 1 . . . . . 255 GLU CA . 54056 1 704 . 1 . 1 255 255 GLU CB C 13 29.0890 0.0000 . 1 . . . . . 255 GLU CB . 54056 1 705 . 1 . 1 255 255 GLU N N 15 121.8300 0.0000 . 1 . . . . . 255 GLU N . 54056 1 706 . 1 . 1 256 256 GLU H H 1 7.9940 0.0000 . 1 . . . . . 256 GLU H . 54056 1 707 . 1 . 1 256 256 GLU C C 13 181.1930 0.0000 . 1 . . . . . 256 GLU C . 54056 1 708 . 1 . 1 256 256 GLU CB C 13 30.6860 0.0000 . 1 . . . . . 256 GLU CB . 54056 1 709 . 1 . 1 256 256 GLU N N 15 127.0260 0.0000 . 1 . . . . . 256 GLU N . 54056 1 stop_ save_