data_53316 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53316 _Entry.Title ; Backbone and Methyl assignment of an active PETase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-08-13 _Entry.Accession_date 2025-08-13 _Entry.Last_release_date 2025-08-13 _Entry.Original_release_date 2025-08-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 'Backbone and Methyl assignment of LCC-ICCG' _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 Jelena Grga . . . . 53316 2 Emmanuelle Boll . . . . 53316 3 Guy Lippens . . . . 53316 4 Cyril Charlier . . . . 53316 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53316 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 718 53316 '15N chemical shifts' 201 53316 '1H chemical shifts' 540 53316 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 . . 2025-11-11 . original BMRB . 53316 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53316 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41191196 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone and Methyl resonance assignment of an active PETase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 20 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 3 _Citation.Page_last 3 _Citation.Year 2025 _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 Jelena Greg . . . . 53316 1 2 Emmanuelle Boll . . . . 53316 1 3 Guy Lippens . . . . 53316 1 4 Cyril Charlier . . . . 53316 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'PETase, LCCICCG' 53316 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53316 _Assembly.ID 1 _Assembly.Name LCC-ICCG _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 27.6 _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 LCC-ICCG 1 $entity_1 . . yes native no no . . . 53316 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 6THT . . X-ray 1.14 'Same protein' . 53316 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'PET degrading enzyme' 53316 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53316 _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 ; SNPYQRGPNPTRSALTADGP FSVATYTVSRLSVSGFGGGV IYYPTGTSLTFGGIAMSPGY TADASSLAWLGRRLASHGFV VLVINTNSRFDGPDSRASQL SAALNYLRTSSPSAVRARLD ANRLAVAGHSMGGGGTLRIA EQNPSLKAAVPLTPWHTDKT FNTSVPVLIVGAEADTVAPV SQHAIPFYQNLPSTTPKVYV ELCNASHIAPNSNNAAISVY TISWMKLWVDNDTRYRQFLC NVNDPALCDFRTNNRHCQ ; _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 258 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'PET degrading enzyme' 53316 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 36 SER . 53316 1 2 37 ASN . 53316 1 3 38 PRO . 53316 1 4 39 TYR . 53316 1 5 40 GLN . 53316 1 6 41 ARG . 53316 1 7 42 GLY . 53316 1 8 43 PRO . 53316 1 9 44 ASN . 53316 1 10 45 PRO . 53316 1 11 46 THR . 53316 1 12 47 ARG . 53316 1 13 48 SER . 53316 1 14 49 ALA . 53316 1 15 50 LEU . 53316 1 16 51 THR . 53316 1 17 52 ALA . 53316 1 18 53 ASP . 53316 1 19 54 GLY . 53316 1 20 55 PRO . 53316 1 21 56 PHE . 53316 1 22 57 SER . 53316 1 23 58 VAL . 53316 1 24 59 ALA . 53316 1 25 60 THR . 53316 1 26 61 TYR . 53316 1 27 62 THR . 53316 1 28 63 VAL . 53316 1 29 64 SER . 53316 1 30 65 ARG . 53316 1 31 66 LEU . 53316 1 32 67 SER . 53316 1 33 68 VAL . 53316 1 34 69 SER . 53316 1 35 70 GLY . 53316 1 36 71 PHE . 53316 1 37 72 GLY . 53316 1 38 73 GLY . 53316 1 39 74 GLY . 53316 1 40 75 VAL . 53316 1 41 76 ILE . 53316 1 42 77 TYR . 53316 1 43 78 TYR . 53316 1 44 79 PRO . 53316 1 45 80 THR . 53316 1 46 81 GLY . 53316 1 47 82 THR . 53316 1 48 83 SER . 53316 1 49 84 LEU . 53316 1 50 85 THR . 53316 1 51 86 PHE . 53316 1 52 87 GLY . 53316 1 53 88 GLY . 53316 1 54 89 ILE . 53316 1 55 90 ALA . 53316 1 56 91 MET . 53316 1 57 92 SER . 53316 1 58 93 PRO . 53316 1 59 94 GLY . 53316 1 60 95 TYR . 53316 1 61 96 THR . 53316 1 62 97 ALA . 53316 1 63 98 ASP . 53316 1 64 99 ALA . 53316 1 65 100 SER . 53316 1 66 101 SER . 53316 1 67 102 LEU . 53316 1 68 103 ALA . 53316 1 69 104 TRP . 53316 1 70 105 LEU . 53316 1 71 106 GLY . 53316 1 72 107 ARG . 53316 1 73 108 ARG . 53316 1 74 109 LEU . 53316 1 75 110 ALA . 53316 1 76 111 SER . 53316 1 77 112 HIS . 53316 1 78 113 GLY . 53316 1 79 114 PHE . 53316 1 80 115 VAL . 53316 1 81 116 VAL . 53316 1 82 117 LEU . 53316 1 83 118 VAL . 53316 1 84 119 ILE . 53316 1 85 120 ASN . 53316 1 86 121 THR . 53316 1 87 122 ASN . 53316 1 88 123 SER . 53316 1 89 124 ARG . 53316 1 90 125 PHE . 53316 1 91 126 ASP . 53316 1 92 127 GLY . 53316 1 93 128 PRO . 53316 1 94 129 ASP . 53316 1 95 130 SER . 53316 1 96 131 ARG . 53316 1 97 132 ALA . 53316 1 98 133 SER . 53316 1 99 134 GLN . 53316 1 100 135 LEU . 53316 1 101 136 SER . 53316 1 102 137 ALA . 53316 1 103 138 ALA . 53316 1 104 139 LEU . 53316 1 105 140 ASN . 53316 1 106 141 TYR . 53316 1 107 142 LEU . 53316 1 108 143 ARG . 53316 1 109 144 THR . 53316 1 110 145 SER . 53316 1 111 146 SER . 53316 1 112 147 PRO . 53316 1 113 148 SER . 53316 1 114 149 ALA . 53316 1 115 150 VAL . 53316 1 116 151 ARG . 53316 1 117 152 ALA . 53316 1 118 153 ARG . 53316 1 119 154 LEU . 53316 1 120 155 ASP . 53316 1 121 156 ALA . 53316 1 122 157 ASN . 53316 1 123 158 ARG . 53316 1 124 159 LEU . 53316 1 125 160 ALA . 53316 1 126 161 VAL . 53316 1 127 162 ALA . 53316 1 128 163 GLY . 53316 1 129 164 HIS . 53316 1 130 165 SER . 53316 1 131 166 MET . 53316 1 132 167 GLY . 53316 1 133 168 GLY . 53316 1 134 169 GLY . 53316 1 135 170 GLY . 53316 1 136 171 THR . 53316 1 137 172 LEU . 53316 1 138 173 ARG . 53316 1 139 174 ILE . 53316 1 140 175 ALA . 53316 1 141 176 GLU . 53316 1 142 177 GLN . 53316 1 143 178 ASN . 53316 1 144 179 PRO . 53316 1 145 180 SER . 53316 1 146 181 LEU . 53316 1 147 182 LYS . 53316 1 148 183 ALA . 53316 1 149 184 ALA . 53316 1 150 185 VAL . 53316 1 151 186 PRO . 53316 1 152 187 LEU . 53316 1 153 188 THR . 53316 1 154 189 PRO . 53316 1 155 190 TRP . 53316 1 156 191 HIS . 53316 1 157 192 THR . 53316 1 158 193 ASP . 53316 1 159 194 LYS . 53316 1 160 195 THR . 53316 1 161 196 PHE . 53316 1 162 197 ASN . 53316 1 163 198 THR . 53316 1 164 199 SER . 53316 1 165 200 VAL . 53316 1 166 201 PRO . 53316 1 167 202 VAL . 53316 1 168 203 LEU . 53316 1 169 204 ILE . 53316 1 170 205 VAL . 53316 1 171 206 GLY . 53316 1 172 207 ALA . 53316 1 173 208 GLU . 53316 1 174 209 ALA . 53316 1 175 210 ASP . 53316 1 176 211 THR . 53316 1 177 212 VAL . 53316 1 178 213 ALA . 53316 1 179 214 PRO . 53316 1 180 215 VAL . 53316 1 181 216 SER . 53316 1 182 217 GLN . 53316 1 183 218 HIS . 53316 1 184 219 ALA . 53316 1 185 220 ILE . 53316 1 186 221 PRO . 53316 1 187 222 PHE . 53316 1 188 223 TYR . 53316 1 189 224 GLN . 53316 1 190 225 ASN . 53316 1 191 226 LEU . 53316 1 192 227 PRO . 53316 1 193 228 SER . 53316 1 194 229 THR . 53316 1 195 230 THR . 53316 1 196 231 PRO . 53316 1 197 232 LYS . 53316 1 198 233 VAL . 53316 1 199 234 TYR . 53316 1 200 235 VAL . 53316 1 201 236 GLU . 53316 1 202 237 LEU . 53316 1 203 238 CYS . 53316 1 204 239 ASN . 53316 1 205 240 ALA . 53316 1 206 241 SER . 53316 1 207 242 HIS . 53316 1 208 243 ILE . 53316 1 209 244 ALA . 53316 1 210 245 PRO . 53316 1 211 246 ASN . 53316 1 212 247 SER . 53316 1 213 248 ASN . 53316 1 214 249 ASN . 53316 1 215 250 ALA . 53316 1 216 251 ALA . 53316 1 217 252 ILE . 53316 1 218 253 SER . 53316 1 219 254 VAL . 53316 1 220 255 TYR . 53316 1 221 256 THR . 53316 1 222 257 ILE . 53316 1 223 258 SER . 53316 1 224 259 TRP . 53316 1 225 260 MET . 53316 1 226 261 LYS . 53316 1 227 262 LEU . 53316 1 228 263 TRP . 53316 1 229 264 VAL . 53316 1 230 265 ASP . 53316 1 231 266 ASN . 53316 1 232 267 ASP . 53316 1 233 268 THR . 53316 1 234 269 ARG . 53316 1 235 270 TYR . 53316 1 236 271 ARG . 53316 1 237 272 GLN . 53316 1 238 273 PHE . 53316 1 239 274 LEU . 53316 1 240 275 CYS . 53316 1 241 276 ASN . 53316 1 242 277 VAL . 53316 1 243 278 ASN . 53316 1 244 279 ASP . 53316 1 245 280 PRO . 53316 1 246 281 ALA . 53316 1 247 282 LEU . 53316 1 248 283 CYS . 53316 1 249 284 ASP . 53316 1 250 285 PHE . 53316 1 251 286 ARG . 53316 1 252 287 THR . 53316 1 253 288 ASN . 53316 1 254 289 ASN . 53316 1 255 290 ARG . 53316 1 256 291 HIS . 53316 1 257 292 CYS . 53316 1 258 293 GLN . 53316 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 . SER 1 1 53316 1 . ASN 2 2 53316 1 . PRO 3 3 53316 1 . TYR 4 4 53316 1 . GLN 5 5 53316 1 . ARG 6 6 53316 1 . GLY 7 7 53316 1 . PRO 8 8 53316 1 . ASN 9 9 53316 1 . PRO 10 10 53316 1 . THR 11 11 53316 1 . ARG 12 12 53316 1 . SER 13 13 53316 1 . ALA 14 14 53316 1 . LEU 15 15 53316 1 . THR 16 16 53316 1 . ALA 17 17 53316 1 . ASP 18 18 53316 1 . GLY 19 19 53316 1 . PRO 20 20 53316 1 . PHE 21 21 53316 1 . SER 22 22 53316 1 . VAL 23 23 53316 1 . ALA 24 24 53316 1 . THR 25 25 53316 1 . TYR 26 26 53316 1 . THR 27 27 53316 1 . VAL 28 28 53316 1 . SER 29 29 53316 1 . ARG 30 30 53316 1 . LEU 31 31 53316 1 . SER 32 32 53316 1 . VAL 33 33 53316 1 . SER 34 34 53316 1 . GLY 35 35 53316 1 . PHE 36 36 53316 1 . GLY 37 37 53316 1 . GLY 38 38 53316 1 . GLY 39 39 53316 1 . VAL 40 40 53316 1 . ILE 41 41 53316 1 . TYR 42 42 53316 1 . TYR 43 43 53316 1 . PRO 44 44 53316 1 . THR 45 45 53316 1 . GLY 46 46 53316 1 . THR 47 47 53316 1 . SER 48 48 53316 1 . LEU 49 49 53316 1 . THR 50 50 53316 1 . PHE 51 51 53316 1 . GLY 52 52 53316 1 . GLY 53 53 53316 1 . ILE 54 54 53316 1 . ALA 55 55 53316 1 . MET 56 56 53316 1 . SER 57 57 53316 1 . PRO 58 58 53316 1 . GLY 59 59 53316 1 . TYR 60 60 53316 1 . THR 61 61 53316 1 . ALA 62 62 53316 1 . ASP 63 63 53316 1 . ALA 64 64 53316 1 . SER 65 65 53316 1 . SER 66 66 53316 1 . LEU 67 67 53316 1 . ALA 68 68 53316 1 . TRP 69 69 53316 1 . LEU 70 70 53316 1 . GLY 71 71 53316 1 . ARG 72 72 53316 1 . ARG 73 73 53316 1 . LEU 74 74 53316 1 . ALA 75 75 53316 1 . SER 76 76 53316 1 . HIS 77 77 53316 1 . GLY 78 78 53316 1 . PHE 79 79 53316 1 . VAL 80 80 53316 1 . VAL 81 81 53316 1 . LEU 82 82 53316 1 . VAL 83 83 53316 1 . ILE 84 84 53316 1 . ASN 85 85 53316 1 . THR 86 86 53316 1 . ASN 87 87 53316 1 . SER 88 88 53316 1 . ARG 89 89 53316 1 . PHE 90 90 53316 1 . ASP 91 91 53316 1 . GLY 92 92 53316 1 . PRO 93 93 53316 1 . ASP 94 94 53316 1 . SER 95 95 53316 1 . ARG 96 96 53316 1 . ALA 97 97 53316 1 . SER 98 98 53316 1 . GLN 99 99 53316 1 . LEU 100 100 53316 1 . SER 101 101 53316 1 . ALA 102 102 53316 1 . ALA 103 103 53316 1 . LEU 104 104 53316 1 . ASN 105 105 53316 1 . TYR 106 106 53316 1 . LEU 107 107 53316 1 . ARG 108 108 53316 1 . THR 109 109 53316 1 . SER 110 110 53316 1 . SER 111 111 53316 1 . PRO 112 112 53316 1 . SER 113 113 53316 1 . ALA 114 114 53316 1 . VAL 115 115 53316 1 . ARG 116 116 53316 1 . ALA 117 117 53316 1 . ARG 118 118 53316 1 . LEU 119 119 53316 1 . ASP 120 120 53316 1 . ALA 121 121 53316 1 . ASN 122 122 53316 1 . ARG 123 123 53316 1 . LEU 124 124 53316 1 . ALA 125 125 53316 1 . VAL 126 126 53316 1 . ALA 127 127 53316 1 . GLY 128 128 53316 1 . HIS 129 129 53316 1 . SER 130 130 53316 1 . MET 131 131 53316 1 . GLY 132 132 53316 1 . GLY 133 133 53316 1 . GLY 134 134 53316 1 . GLY 135 135 53316 1 . THR 136 136 53316 1 . LEU 137 137 53316 1 . ARG 138 138 53316 1 . ILE 139 139 53316 1 . ALA 140 140 53316 1 . GLU 141 141 53316 1 . GLN 142 142 53316 1 . ASN 143 143 53316 1 . PRO 144 144 53316 1 . SER 145 145 53316 1 . LEU 146 146 53316 1 . LYS 147 147 53316 1 . ALA 148 148 53316 1 . ALA 149 149 53316 1 . VAL 150 150 53316 1 . PRO 151 151 53316 1 . LEU 152 152 53316 1 . THR 153 153 53316 1 . PRO 154 154 53316 1 . TRP 155 155 53316 1 . HIS 156 156 53316 1 . THR 157 157 53316 1 . ASP 158 158 53316 1 . LYS 159 159 53316 1 . THR 160 160 53316 1 . PHE 161 161 53316 1 . ASN 162 162 53316 1 . THR 163 163 53316 1 . SER 164 164 53316 1 . VAL 165 165 53316 1 . PRO 166 166 53316 1 . VAL 167 167 53316 1 . LEU 168 168 53316 1 . ILE 169 169 53316 1 . VAL 170 170 53316 1 . GLY 171 171 53316 1 . ALA 172 172 53316 1 . GLU 173 173 53316 1 . ALA 174 174 53316 1 . ASP 175 175 53316 1 . THR 176 176 53316 1 . VAL 177 177 53316 1 . ALA 178 178 53316 1 . PRO 179 179 53316 1 . VAL 180 180 53316 1 . SER 181 181 53316 1 . GLN 182 182 53316 1 . HIS 183 183 53316 1 . ALA 184 184 53316 1 . ILE 185 185 53316 1 . PRO 186 186 53316 1 . PHE 187 187 53316 1 . TYR 188 188 53316 1 . GLN 189 189 53316 1 . ASN 190 190 53316 1 . LEU 191 191 53316 1 . PRO 192 192 53316 1 . SER 193 193 53316 1 . THR 194 194 53316 1 . THR 195 195 53316 1 . PRO 196 196 53316 1 . LYS 197 197 53316 1 . VAL 198 198 53316 1 . TYR 199 199 53316 1 . VAL 200 200 53316 1 . GLU 201 201 53316 1 . LEU 202 202 53316 1 . CYS 203 203 53316 1 . ASN 204 204 53316 1 . ALA 205 205 53316 1 . SER 206 206 53316 1 . HIS 207 207 53316 1 . ILE 208 208 53316 1 . ALA 209 209 53316 1 . PRO 210 210 53316 1 . ASN 211 211 53316 1 . SER 212 212 53316 1 . ASN 213 213 53316 1 . ASN 214 214 53316 1 . ALA 215 215 53316 1 . ALA 216 216 53316 1 . ILE 217 217 53316 1 . SER 218 218 53316 1 . VAL 219 219 53316 1 . TYR 220 220 53316 1 . THR 221 221 53316 1 . ILE 222 222 53316 1 . SER 223 223 53316 1 . TRP 224 224 53316 1 . MET 225 225 53316 1 . LYS 226 226 53316 1 . LEU 227 227 53316 1 . TRP 228 228 53316 1 . VAL 229 229 53316 1 . ASP 230 230 53316 1 . ASN 231 231 53316 1 . ASP 232 232 53316 1 . THR 233 233 53316 1 . ARG 234 234 53316 1 . TYR 235 235 53316 1 . ARG 236 236 53316 1 . GLN 237 237 53316 1 . PHE 238 238 53316 1 . LEU 239 239 53316 1 . CYS 240 240 53316 1 . ASN 241 241 53316 1 . VAL 242 242 53316 1 . ASN 243 243 53316 1 . ASP 244 244 53316 1 . PRO 245 245 53316 1 . ALA 246 246 53316 1 . LEU 247 247 53316 1 . CYS 248 248 53316 1 . ASP 249 249 53316 1 . PHE 250 250 53316 1 . ARG 251 251 53316 1 . THR 252 252 53316 1 . ASN 253 253 53316 1 . ASN 254 254 53316 1 . ARG 255 255 53316 1 . HIS 256 256 53316 1 . CYS 257 257 53316 1 . GLN 258 258 53316 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 53316 _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 . . . . . . . . . . . . . 53316 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 53316 _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 . . pET26b . . . 53316 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53316 _Sample.ID 1 _Sample.Name LCC-ICCG _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 LCC-ICCG '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 600 . . uM . . . . 53316 1 2 TSP 'natural abundance' . . . . . . 1 . . mM . . . . 53316 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 53316 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 53316 _Sample_condition_list.ID 1 _Sample_condition_list.Name LCC-ICCG _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' 100 . mM 53316 1 pH 7.5 . pH 53316 1 pressure 1 . atm 53316 1 temperature 333 . K 53316 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53316 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53316 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 53316 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 53316 _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 HSQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53316 1 2 '3D HNCACB' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53316 1 3 '3D HNCO' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53316 1 4 '3D H(CCO)NH' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53316 1 5 '2D 1H-13C HSQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53316 1 6 '3D C(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53316 1 7 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'This actually is a hNcaNNH' 53316 1 8 '3D HBHANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'This actually is a HncaNNH' 53316 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' NH_HSQC_ser . 'Time-domain (raw spectral data)' . . 53316 1 2 '3D HNCACB' HNCACB_ser . 'Time-domain (raw spectral data)' . . 53316 1 3 '3D HNCO' HNCO_ser . 'Time-domain (raw spectral data)' . . 53316 1 4 '3D H(CCO)NH' H_HCcoNH_ser . 'Time-domain (raw spectral data)' . . 53316 1 5 '2D 1H-13C HSQC' HC_CH3_ser . 'Time-domain (raw spectral data)' . . 53316 1 6 '3D C(CO)NH' C_hCcoNH_ser . 'Time-domain (raw spectral data)' . . 53316 1 7 '3D HNCA' N_hncannh_ser . 'Time-domain (raw spectral data)' . 'This actually is a hNcaNNH' 53316 1 8 '3D HBHANH' H_hncannh_ser . 'NMR experiment directory' . 'This actually is a HncaNNH' 53316 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 53316 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name LCC-ICCG _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 TSP 'methyl carbons' . . . . ppm 0 internal direct 1 . . . . . 53316 1 H 1 TSP protons . . . . ppm 0 internal direct 1 . . . . . 53316 1 N 15 TSP nitrogen . . . . ppm 0 internal direct 1 . . . . . 53316 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 53316 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name LCC-ICCG _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 HSQC' . . . 53316 1 2 '3D HNCACB' . . . 53316 1 3 '3D HNCO' . . . 53316 1 4 '3D H(CCO)NH' . . . 53316 1 5 '2D 1H-13C HSQC' . . . 53316 1 6 '3D C(CO)NH' . . . 53316 1 7 '3D HNCA' . . . 53316 1 8 '3D HBHANH' . . . 53316 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 . . 53316 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 3 3 PRO C C 13 180.0302202 0 . . . . . . . 38 PRO C . 53316 1 2 . 1 . 1 3 3 PRO CA C 13 64.02675379 0 . . . . . . . 38 PRO CA . 53316 1 3 . 1 . 1 3 3 PRO CB C 13 32.19422587 0 . . . . . . . 38 PRO CB . 53316 1 4 . 1 . 1 4 4 TYR H H 1 7.65049452 0.001655895934 . . . . . . . 39 TYR H . 53316 1 5 . 1 . 1 4 4 TYR C C 13 178.13441 0 . . . . . . . 39 TYR C . 53316 1 6 . 1 . 1 4 4 TYR CA C 13 55.3919768 0.01405705822 . . . . . . . 39 TYR CA . 53316 1 7 . 1 . 1 4 4 TYR CB C 13 37.76442579 0.01405705822 . . . . . . . 39 TYR CB . 53316 1 8 . 1 . 1 4 4 TYR N N 15 117.9708694 0.006077239578 . . . . . . . 39 TYR N . 53316 1 9 . 1 . 1 5 5 GLN H H 1 6.919673303 0.002798928165 . . . . . . . 40 GLN H . 53316 1 10 . 1 . 1 5 5 GLN C C 13 179.5419055 0 . . . . . . . 40 GLN C . 53316 1 11 . 1 . 1 5 5 GLN CA C 13 57.51262513 0.01046898391 . . . . . . . 40 GLN CA . 53316 1 12 . 1 . 1 5 5 GLN CB C 13 30.19803805 0.0138751954 . . . . . . . 40 GLN CB . 53316 1 13 . 1 . 1 5 5 GLN N N 15 118.2449709 0.00360884525 . . . . . . . 40 GLN N . 53316 1 14 . 1 . 1 6 6 ARG H H 1 10.6330332 0.005181881761 . . . . . . . 41 ARG H . 53316 1 15 . 1 . 1 6 6 ARG CA C 13 53.49357563 0 . . . . . . . 41 ARG CA . 53316 1 16 . 1 . 1 6 6 ARG CB C 13 33.12212105 0 . . . . . . . 41 ARG CB . 53316 1 17 . 1 . 1 6 6 ARG N N 15 128.7986307 0.01138061467 . . . . . . . 41 ARG N . 53316 1 18 . 1 . 1 10 10 PRO C C 13 178.63456 0 . . . . . . . 45 PRO C . 53316 1 19 . 1 . 1 10 10 PRO CA C 13 63.06989114 0 . . . . . . . 45 PRO CA . 53316 1 20 . 1 . 1 10 10 PRO CB C 13 33.09733952 0 . . . . . . . 45 PRO CB . 53316 1 21 . 1 . 1 11 11 THR H H 1 6.746265033 0.002422373043 . . . . . . . 46 THR H . 53316 1 22 . 1 . 1 11 11 THR CA C 13 59.29943271 0 . . . . . . . 46 THR CA . 53316 1 23 . 1 . 1 11 11 THR CB C 13 72.23914031 0 . . . . . . . 46 THR CB . 53316 1 24 . 1 . 1 11 11 THR N N 15 107.6560275 0.0005111605373 . . . . . . . 46 THR N . 53316 1 25 . 1 . 1 13 13 SER C C 13 180.5458104 0 . . . . . . . 48 SER C . 53316 1 26 . 1 . 1 13 13 SER CA C 13 61.4455875 0 . . . . . . . 48 SER CA . 53316 1 27 . 1 . 1 13 13 SER CB C 13 62.61863739 0 . . . . . . . 48 SER CB . 53316 1 28 . 1 . 1 14 14 ALA H H 1 7.629467619 0.00329903007 . . . . . . . 49 ALA H . 53316 1 29 . 1 . 1 14 14 ALA HB1 H 1 1.50340513 0.003761974979 . . . . . . . 49 ALA HB . 53316 1 30 . 1 . 1 14 14 ALA HB2 H 1 1.50340513 0.003761974979 . . . . . . . 49 ALA HB . 53316 1 31 . 1 . 1 14 14 ALA HB3 H 1 1.50340513 0.003761974979 . . . . . . . 49 ALA HB . 53316 1 32 . 1 . 1 14 14 ALA C C 13 182.4260687 0 . . . . . . . 49 ALA C . 53316 1 33 . 1 . 1 14 14 ALA CA C 13 54.362241 0 . . . . . . . 49 ALA CA . 53316 1 34 . 1 . 1 14 14 ALA CB C 13 18.58697079 0.1077502932 . . . . . . . 49 ALA CB . 53316 1 35 . 1 . 1 14 14 ALA N N 15 124.6770588 0.01428516631 . . . . . . . 49 ALA N . 53316 1 36 . 1 . 1 15 15 LEU H H 1 7.430583167 0.003409304149 . . . . . . . 50 LEU H . 53316 1 37 . 1 . 1 15 15 LEU HD11 H 1 0.2681352924 0.009418821352 . . . . . . . 50 LEU HD1 . 53316 1 38 . 1 . 1 15 15 LEU HD12 H 1 0.2681352924 0.009418821352 . . . . . . . 50 LEU HD1 . 53316 1 39 . 1 . 1 15 15 LEU HD13 H 1 0.2681352924 0.009418821352 . . . . . . . 50 LEU HD1 . 53316 1 40 . 1 . 1 15 15 LEU HD21 H 1 0.6648664345 0.004306287028 . . . . . . . 50 LEU HD2 . 53316 1 41 . 1 . 1 15 15 LEU HD22 H 1 0.6648664345 0.004306287028 . . . . . . . 50 LEU HD2 . 53316 1 42 . 1 . 1 15 15 LEU HD23 H 1 0.6648664345 0.004306287028 . . . . . . . 50 LEU HD2 . 53316 1 43 . 1 . 1 15 15 LEU C C 13 178.6492221 0 . . . . . . . 50 LEU C . 53316 1 44 . 1 . 1 15 15 LEU CA C 13 55.34591167 0 . . . . . . . 50 LEU CA . 53316 1 45 . 1 . 1 15 15 LEU CB C 13 42.08173585 0.01600021208 . . . . . . . 50 LEU CB . 53316 1 46 . 1 . 1 15 15 LEU CD1 C 13 25.29330788 0.07793042236 . . . . . . . 50 LEU CD1 . 53316 1 47 . 1 . 1 15 15 LEU CD2 C 13 23.09646843 0.05030634292 . . . . . . . 50 LEU CD2 . 53316 1 48 . 1 . 1 15 15 LEU N N 15 114.3318269 0.007158895101 . . . . . . . 50 LEU N . 53316 1 49 . 1 . 1 16 16 THR H H 1 7.449092962 0.004217332908 . . . . . . . 51 THR H . 53316 1 50 . 1 . 1 16 16 THR C C 13 174.3430308 0 . . . . . . . 51 THR C . 53316 1 51 . 1 . 1 16 16 THR CA C 13 61.51751183 0.01548184741 . . . . . . . 51 THR CA . 53316 1 52 . 1 . 1 16 16 THR CB C 13 69.462285 0.02081405939 . . . . . . . 51 THR CB . 53316 1 53 . 1 . 1 16 16 THR N N 15 107.870539 0.01858673007 . . . . . . . 51 THR N . 53316 1 54 . 1 . 1 17 17 ALA H H 1 7.424893907 0.003847636633 . . . . . . . 52 ALA H . 53316 1 55 . 1 . 1 17 17 ALA HB1 H 1 1.339191154 0.002265025286 . . . . . . . 52 ALA HB . 53316 1 56 . 1 . 1 17 17 ALA HB2 H 1 1.339191154 0.002265025286 . . . . . . . 52 ALA HB . 53316 1 57 . 1 . 1 17 17 ALA HB3 H 1 1.339191154 0.002265025286 . . . . . . . 52 ALA HB . 53316 1 58 . 1 . 1 17 17 ALA C C 13 178.2073759 0 . . . . . . . 52 ALA C . 53316 1 59 . 1 . 1 17 17 ALA CA C 13 50.08479015 0.02030040019 . . . . . . . 52 ALA CA . 53316 1 60 . 1 . 1 17 17 ALA CB C 13 23.07882872 0.1027980168 . . . . . . . 52 ALA CB . 53316 1 61 . 1 . 1 17 17 ALA N N 15 124.512634 0.005695486099 . . . . . . . 52 ALA N . 53316 1 62 . 1 . 1 18 18 ASP H H 1 8.518056232 0.002952107461 . . . . . . . 53 ASP H . 53316 1 63 . 1 . 1 18 18 ASP C C 13 180.1289737 0 . . . . . . . 53 ASP C . 53316 1 64 . 1 . 1 18 18 ASP CA C 13 56.35372164 0.02452898553 . . . . . . . 53 ASP CA . 53316 1 65 . 1 . 1 18 18 ASP CB C 13 39.84571438 0 . . . . . . . 53 ASP CB . 53316 1 66 . 1 . 1 18 18 ASP N N 15 120.3305483 0.02819700852 . . . . . . . 53 ASP N . 53316 1 67 . 1 . 1 19 19 GLY H H 1 8.768487412 0.005121237262 . . . . . . . 54 GLY H . 53316 1 68 . 1 . 1 19 19 GLY CA C 13 43.42694627 0 . . . . . . . 54 GLY CA . 53316 1 69 . 1 . 1 19 19 GLY N N 15 109.5006629 0.002588351156 . . . . . . . 54 GLY N . 53316 1 70 . 1 . 1 20 20 PRO C C 13 179.7223367 0 . . . . . . . 55 PRO C . 53316 1 71 . 1 . 1 20 20 PRO CA C 13 63.62771674 0 . . . . . . . 55 PRO CA . 53316 1 72 . 1 . 1 20 20 PRO CB C 13 32.16056746 0 . . . . . . . 55 PRO CB . 53316 1 73 . 1 . 1 21 21 PHE H H 1 8.309554863 0.003545873715 . . . . . . . 56 PHE H . 53316 1 74 . 1 . 1 21 21 PHE C C 13 178.8982285 0 . . . . . . . 56 PHE C . 53316 1 75 . 1 . 1 21 21 PHE CA C 13 58.6769574 0.04027316043 . . . . . . . 56 PHE CA . 53316 1 76 . 1 . 1 21 21 PHE CB C 13 38.88456891 0.01053839599 . . . . . . . 56 PHE CB . 53316 1 77 . 1 . 1 21 21 PHE N N 15 119.0219823 0.001338260963 . . . . . . . 56 PHE N . 53316 1 78 . 1 . 1 22 22 SER H H 1 8.829742101 0.002898776355 . . . . . . . 57 SER H . 53316 1 79 . 1 . 1 22 22 SER C C 13 176.1523833 0 . . . . . . . 57 SER C . 53316 1 80 . 1 . 1 22 22 SER CA C 13 59.18338627 0.02809852847 . . . . . . . 57 SER CA . 53316 1 81 . 1 . 1 22 22 SER CB C 13 63.69452011 0.002290398728 . . . . . . . 57 SER CB . 53316 1 82 . 1 . 1 22 22 SER N N 15 120.4939779 0.003703482932 . . . . . . . 57 SER N . 53316 1 83 . 1 . 1 23 23 VAL H H 1 8.072224551 0.004239644767 . . . . . . . 58 VAL H . 53316 1 84 . 1 . 1 23 23 VAL HG11 H 1 0.7179603043 0.001877472632 . . . . . . . 58 VAL HG1 . 53316 1 85 . 1 . 1 23 23 VAL HG12 H 1 0.7179603043 0.001877472632 . . . . . . . 58 VAL HG1 . 53316 1 86 . 1 . 1 23 23 VAL HG13 H 1 0.7179603043 0.001877472632 . . . . . . . 58 VAL HG1 . 53316 1 87 . 1 . 1 23 23 VAL HG21 H 1 0.8209409285 0.005946024951 . . . . . . . 58 VAL HG2 . 53316 1 88 . 1 . 1 23 23 VAL HG22 H 1 0.8209409285 0.005946024951 . . . . . . . 58 VAL HG2 . 53316 1 89 . 1 . 1 23 23 VAL HG23 H 1 0.8209409285 0.005946024951 . . . . . . . 58 VAL HG2 . 53316 1 90 . 1 . 1 23 23 VAL C C 13 178.0640751 0 . . . . . . . 58 VAL C . 53316 1 91 . 1 . 1 23 23 VAL CA C 13 61.64825662 0.008447609144 . . . . . . . 58 VAL CA . 53316 1 92 . 1 . 1 23 23 VAL CB C 13 35.20270566 0.02636579472 . . . . . . . 58 VAL CB . 53316 1 93 . 1 . 1 23 23 VAL CG1 C 13 22.21260923 0.005667383371 . . . . . . . 58 VAL CG1 . 53316 1 94 . 1 . 1 23 23 VAL CG2 C 13 23.12018757 0.04670613386 . . . . . . . 58 VAL CG2 . 53316 1 95 . 1 . 1 23 23 VAL N N 15 122.2438265 0.003422452921 . . . . . . . 58 VAL N . 53316 1 96 . 1 . 1 24 24 ALA H H 1 8.825344693 0.002986878865 . . . . . . . 59 ALA H . 53316 1 97 . 1 . 1 24 24 ALA HB1 H 1 0.6696573021 0.009515993512 . . . . . . . 59 ALA HB . 53316 1 98 . 1 . 1 24 24 ALA HB2 H 1 0.6696573021 0.009515993512 . . . . . . . 59 ALA HB . 53316 1 99 . 1 . 1 24 24 ALA HB3 H 1 0.6696573021 0.009515993512 . . . . . . . 59 ALA HB . 53316 1 100 . 1 . 1 24 24 ALA C C 13 177.7971789 0 . . . . . . . 59 ALA C . 53316 1 101 . 1 . 1 24 24 ALA CA C 13 49.97198821 0.01720079052 . . . . . . . 59 ALA CA . 53316 1 102 . 1 . 1 24 24 ALA CB C 13 21.18122109 0.1136536536 . . . . . . . 59 ALA CB . 53316 1 103 . 1 . 1 24 24 ALA N N 15 131.5729667 0.002802311248 . . . . . . . 59 ALA N . 53316 1 104 . 1 . 1 25 25 THR H H 1 7.761653827 0.004109679203 . . . . . . . 60 THR H . 53316 1 105 . 1 . 1 25 25 THR HG21 H 1 0.7766334905 0.001902591361 . . . . . . . 60 THR HG2 . 53316 1 106 . 1 . 1 25 25 THR HG22 H 1 0.7766334905 0.001902591361 . . . . . . . 60 THR HG2 . 53316 1 107 . 1 . 1 25 25 THR HG23 H 1 0.7766334905 0.001902591361 . . . . . . . 60 THR HG2 . 53316 1 108 . 1 . 1 25 25 THR C C 13 177.826834 0 . . . . . . . 60 THR C . 53316 1 109 . 1 . 1 25 25 THR CA C 13 59.27959747 0.01691280076 . . . . . . . 60 THR CA . 53316 1 110 . 1 . 1 25 25 THR CB C 13 72.43727684 0.001441462877 . . . . . . . 60 THR CB . 53316 1 111 . 1 . 1 25 25 THR CG2 C 13 22.33094927 0.002533951131 . . . . . . . 60 THR CG2 . 53316 1 112 . 1 . 1 25 25 THR N N 15 107.3501594 0.01204258329 . . . . . . . 60 THR N . 53316 1 113 . 1 . 1 26 26 TYR H H 1 9.13828147 0.002780598239 . . . . . . . 61 TYR H . 53316 1 114 . 1 . 1 26 26 TYR CA C 13 57.91775596 0 . . . . . . . 61 TYR CA . 53316 1 115 . 1 . 1 26 26 TYR CB C 13 42.51100091 0 . . . . . . . 61 TYR CB . 53316 1 116 . 1 . 1 26 26 TYR N N 15 124.5001954 0.008503758854 . . . . . . . 61 TYR N . 53316 1 117 . 1 . 1 27 27 THR HG21 H 1 0.9503901695 0.007116437687 . . . . . . . 62 THR HG2 . 53316 1 118 . 1 . 1 27 27 THR HG22 H 1 0.9503901695 0.007116437687 . . . . . . . 62 THR HG2 . 53316 1 119 . 1 . 1 27 27 THR HG23 H 1 0.9503901695 0.007116437687 . . . . . . . 62 THR HG2 . 53316 1 120 . 1 . 1 27 27 THR C C 13 174.6923 0 . . . . . . . 62 THR C . 53316 1 121 . 1 . 1 27 27 THR CA C 13 63.57549168 0 . . . . . . . 62 THR CA . 53316 1 122 . 1 . 1 27 27 THR CB C 13 68.99542262 0 . . . . . . . 62 THR CB . 53316 1 123 . 1 . 1 27 27 THR CG2 C 13 21.73785693 0.01595070683 . . . . . . . 62 THR CG2 . 53316 1 124 . 1 . 1 28 28 VAL H H 1 8.781043 0.005085855676 . . . . . . . 63 VAL H . 53316 1 125 . 1 . 1 28 28 VAL CA C 13 61.19210666 0 . . . . . . . 63 VAL CA . 53316 1 126 . 1 . 1 28 28 VAL CB C 13 32.17805848 0 . . . . . . . 63 VAL CB . 53316 1 127 . 1 . 1 28 28 VAL N N 15 128.4442393 0.0009607718525 . . . . . . . 63 VAL N . 53316 1 128 . 1 . 1 36 36 PHE H H 1 7.516178501 0.00264953146 . . . . . . . 71 PHE H . 53316 1 129 . 1 . 1 36 36 PHE C C 13 176.2439158 0 . . . . . . . 71 PHE C . 53316 1 130 . 1 . 1 36 36 PHE CA C 13 56.01126369 0 . . . . . . . 71 PHE CA . 53316 1 131 . 1 . 1 36 36 PHE CB C 13 38.93187944 0.02089431126 . . . . . . . 71 PHE CB . 53316 1 132 . 1 . 1 36 36 PHE N N 15 112.4867914 0.05205485748 . . . . . . . 71 PHE N . 53316 1 133 . 1 . 1 37 37 GLY H H 1 7.707481435 0.002749154995 . . . . . . . 72 GLY H . 53316 1 134 . 1 . 1 37 37 GLY C C 13 177.4194493 0 . . . . . . . 72 GLY C . 53316 1 135 . 1 . 1 37 37 GLY CA C 13 46.90695654 0.0223358112 . . . . . . . 72 GLY CA . 53316 1 136 . 1 . 1 37 37 GLY N N 15 105.8589303 0.01441495667 . . . . . . . 72 GLY N . 53316 1 137 . 1 . 1 38 38 GLY H H 1 6.120395005 0.002757161053 . . . . . . . 73 GLY H . 53316 1 138 . 1 . 1 38 38 GLY C C 13 175.0012556 0 . . . . . . . 73 GLY C . 53316 1 139 . 1 . 1 38 38 GLY CA C 13 43.71829619 0 . . . . . . . 73 GLY CA . 53316 1 140 . 1 . 1 38 38 GLY N N 15 106.6036995 0.0250082506 . . . . . . . 73 GLY N . 53316 1 141 . 1 . 1 39 39 GLY H H 1 8.615265858 0.002925087951 . . . . . . . 74 GLY H . 53316 1 142 . 1 . 1 39 39 GLY C C 13 174.1363542 0 . . . . . . . 74 GLY C . 53316 1 143 . 1 . 1 39 39 GLY CA C 13 46.1701718 0.01629543021 . . . . . . . 74 GLY CA . 53316 1 144 . 1 . 1 39 39 GLY N N 15 108.292513 0.01741617019 . . . . . . . 74 GLY N . 53316 1 145 . 1 . 1 40 40 VAL H H 1 8.926059454 0.004081780691 . . . . . . . 75 VAL H . 53316 1 146 . 1 . 1 40 40 VAL HG11 H 1 0.2786956145 0.006575439059 . . . . . . . 75 VAL HG1 . 53316 1 147 . 1 . 1 40 40 VAL HG12 H 1 0.2786956145 0.006575439059 . . . . . . . 75 VAL HG1 . 53316 1 148 . 1 . 1 40 40 VAL HG13 H 1 0.2786956145 0.006575439059 . . . . . . . 75 VAL HG1 . 53316 1 149 . 1 . 1 40 40 VAL HG21 H 1 0.7009011547 0 . . . . . . . 75 VAL HG2 . 53316 1 150 . 1 . 1 40 40 VAL HG22 H 1 0.7009011547 0 . . . . . . . 75 VAL HG2 . 53316 1 151 . 1 . 1 40 40 VAL HG23 H 1 0.7009011547 0 . . . . . . . 75 VAL HG2 . 53316 1 152 . 1 . 1 40 40 VAL C C 13 176.4450195 0 . . . . . . . 75 VAL C . 53316 1 153 . 1 . 1 40 40 VAL CA C 13 61.77771157 0.03597345663 . . . . . . . 75 VAL CA . 53316 1 154 . 1 . 1 40 40 VAL CB C 13 35.7509157 0 . . . . . . . 75 VAL CB . 53316 1 155 . 1 . 1 40 40 VAL CG1 C 13 20.672429 0.05556532929 . . . . . . . 75 VAL CG1 . 53316 1 156 . 1 . 1 40 40 VAL CG2 C 13 21.71187874 0 . . . . . . . 75 VAL CG2 . 53316 1 157 . 1 . 1 40 40 VAL N N 15 122.5805961 0.01314510658 . . . . . . . 75 VAL N . 53316 1 158 . 1 . 1 41 41 ILE H H 1 9.272453849 0.003225249679 . . . . . . . 76 ILE H . 53316 1 159 . 1 . 1 41 41 ILE HG21 H 1 0.806749816 0.003588245004 . . . . . . . 76 ILE HG2 . 53316 1 160 . 1 . 1 41 41 ILE HG22 H 1 0.806749816 0.003588245004 . . . . . . . 76 ILE HG2 . 53316 1 161 . 1 . 1 41 41 ILE HG23 H 1 0.806749816 0.003588245004 . . . . . . . 76 ILE HG2 . 53316 1 162 . 1 . 1 41 41 ILE HD11 H 1 0.9722854459 0.005457562259 . . . . . . . 76 ILE HD1 . 53316 1 163 . 1 . 1 41 41 ILE HD12 H 1 0.9722854459 0.005457562259 . . . . . . . 76 ILE HD1 . 53316 1 164 . 1 . 1 41 41 ILE HD13 H 1 0.9722854459 0.005457562259 . . . . . . . 76 ILE HD1 . 53316 1 165 . 1 . 1 41 41 ILE C C 13 177.6617502 0 . . . . . . . 76 ILE C . 53316 1 166 . 1 . 1 41 41 ILE CA C 13 59.91346906 0.04458515796 . . . . . . . 76 ILE CA . 53316 1 167 . 1 . 1 41 41 ILE CB C 13 40.34752405 0.02498156711 . . . . . . . 76 ILE CB . 53316 1 168 . 1 . 1 41 41 ILE CG2 C 13 18.88930034 0.0386355707 . . . . . . . 76 ILE CG2 . 53316 1 169 . 1 . 1 41 41 ILE CD1 C 13 15.09256597 0.03241325652 . . . . . . . 76 ILE CD1 . 53316 1 170 . 1 . 1 41 41 ILE N N 15 125.4038256 0.01606166477 . . . . . . . 76 ILE N . 53316 1 171 . 1 . 1 42 42 TYR H H 1 9.785321545 0.004491898833 . . . . . . . 77 TYR H . 53316 1 172 . 1 . 1 42 42 TYR C C 13 177.684215 0 . . . . . . . 77 TYR C . 53316 1 173 . 1 . 1 42 42 TYR CA C 13 56.27000877 0.02462621667 . . . . . . . 77 TYR CA . 53316 1 174 . 1 . 1 42 42 TYR CB C 13 41.48198362 0.01689176938 . . . . . . . 77 TYR CB . 53316 1 175 . 1 . 1 42 42 TYR N N 15 127.213359 0.007348821094 . . . . . . . 77 TYR N . 53316 1 176 . 1 . 1 43 43 TYR H H 1 9.148424907 0.003752829098 . . . . . . . 78 TYR H . 53316 1 177 . 1 . 1 43 43 TYR CA C 13 53.71025179 0 . . . . . . . 78 TYR CA . 53316 1 178 . 1 . 1 43 43 TYR CB C 13 39.40828765 0 . . . . . . . 78 TYR CB . 53316 1 179 . 1 . 1 43 43 TYR N N 15 119.4860583 0.04419436029 . . . . . . . 78 TYR N . 53316 1 180 . 1 . 1 44 44 PRO C C 13 177.9489016 0 . . . . . . . 79 PRO C . 53316 1 181 . 1 . 1 44 44 PRO CA C 13 61.69832189 0 . . . . . . . 79 PRO CA . 53316 1 182 . 1 . 1 44 44 PRO CB C 13 33.42642339 0 . . . . . . . 79 PRO CB . 53316 1 183 . 1 . 1 45 45 THR H H 1 8.105193422 0.002553989703 . . . . . . . 80 THR H . 53316 1 184 . 1 . 1 45 45 THR CA C 13 59.07621839 0 . . . . . . . 80 THR CA . 53316 1 185 . 1 . 1 45 45 THR CB C 13 71.33014754 0 . . . . . . . 80 THR CB . 53316 1 186 . 1 . 1 45 45 THR N N 15 113.0329296 0.004851149178 . . . . . . . 80 THR N . 53316 1 187 . 1 . 1 46 46 GLY C C 13 176.4828 0 . . . . . . . 81 GLY C . 53316 1 188 . 1 . 1 46 46 GLY CA C 13 46.66253184 0 . . . . . . . 81 GLY CA . 53316 1 189 . 1 . 1 47 47 THR H H 1 7.366634093 0.002507515213 . . . . . . . 82 THR H . 53316 1 190 . 1 . 1 47 47 THR CA C 13 59.28319496 0 . . . . . . . 82 THR CA . 53316 1 191 . 1 . 1 47 47 THR CB C 13 69.35118867 0 . . . . . . . 82 THR CB . 53316 1 192 . 1 . 1 47 47 THR N N 15 111.4939908 0.009905333134 . . . . . . . 82 THR N . 53316 1 193 . 1 . 1 48 48 SER C C 13 177.7728665 0 . . . . . . . 83 SER C . 53316 1 194 . 1 . 1 48 48 SER CA C 13 57.8652735 0 . . . . . . . 83 SER CA . 53316 1 195 . 1 . 1 48 48 SER CB C 13 64.08136131 0 . . . . . . . 83 SER CB . 53316 1 196 . 1 . 1 49 49 LEU H H 1 7.925652246 0.002171324167 . . . . . . . 84 LEU H . 53316 1 197 . 1 . 1 49 49 LEU HD11 H 1 0.7105195032 0 . . . . . . . 84 LEU HD1 . 53316 1 198 . 1 . 1 49 49 LEU HD12 H 1 0.7105195032 0 . . . . . . . 84 LEU HD1 . 53316 1 199 . 1 . 1 49 49 LEU HD13 H 1 0.7105195032 0 . . . . . . . 84 LEU HD1 . 53316 1 200 . 1 . 1 49 49 LEU HD21 H 1 0.9284153687 0.002117152252 . . . . . . . 84 LEU HD2 . 53316 1 201 . 1 . 1 49 49 LEU HD22 H 1 0.9284153687 0.002117152252 . . . . . . . 84 LEU HD2 . 53316 1 202 . 1 . 1 49 49 LEU HD23 H 1 0.9284153687 0.002117152252 . . . . . . . 84 LEU HD2 . 53316 1 203 . 1 . 1 49 49 LEU C C 13 177.8112008 0 . . . . . . . 84 LEU C . 53316 1 204 . 1 . 1 49 49 LEU CA C 13 54.94187469 0.03740622448 . . . . . . . 84 LEU CA . 53316 1 205 . 1 . 1 49 49 LEU CB C 13 43.36698538 0.00848564979 . . . . . . . 84 LEU CB . 53316 1 206 . 1 . 1 49 49 LEU CD1 C 13 22.20432893 0 . . . . . . . 84 LEU CD1 . 53316 1 207 . 1 . 1 49 49 LEU CD2 C 13 26.01454618 0.1125760371 . . . . . . . 84 LEU CD2 . 53316 1 208 . 1 . 1 49 49 LEU N N 15 124.057784 0.006563541111 . . . . . . . 84 LEU N . 53316 1 209 . 1 . 1 50 50 THR H H 1 6.900831718 0.003347466263 . . . . . . . 85 THR H . 53316 1 210 . 1 . 1 50 50 THR C C 13 176.700972 0 . . . . . . . 85 THR C . 53316 1 211 . 1 . 1 50 50 THR CA C 13 59.20349938 0 . . . . . . . 85 THR CA . 53316 1 212 . 1 . 1 50 50 THR CB C 13 72.53049521 0 . . . . . . . 85 THR CB . 53316 1 213 . 1 . 1 50 50 THR N N 15 106.7418002 0.008403806756 . . . . . . . 85 THR N . 53316 1 214 . 1 . 1 51 51 PHE H H 1 8.838473124 0.003041115723 . . . . . . . 86 PHE H . 53316 1 215 . 1 . 1 51 51 PHE C C 13 177.8438717 0 . . . . . . . 86 PHE C . 53316 1 216 . 1 . 1 51 51 PHE CA C 13 57.10526216 0.02617278648 . . . . . . . 86 PHE CA . 53316 1 217 . 1 . 1 51 51 PHE CB C 13 43.50449812 0.03525771095 . . . . . . . 86 PHE CB . 53316 1 218 . 1 . 1 51 51 PHE N N 15 118.9021526 0.02214599085 . . . . . . . 86 PHE N . 53316 1 219 . 1 . 1 52 52 GLY H H 1 10.06619339 0.005268343636 . . . . . . . 87 GLY H . 53316 1 220 . 1 . 1 52 52 GLY C C 13 175.0645895 0 . . . . . . . 87 GLY C . 53316 1 221 . 1 . 1 52 52 GLY CA C 13 45.01388927 0 . . . . . . . 87 GLY CA . 53316 1 222 . 1 . 1 52 52 GLY N N 15 109.0512259 0.02289000758 . . . . . . . 87 GLY N . 53316 1 223 . 1 . 1 53 53 GLY H H 1 8.670940226 0.003789235654 . . . . . . . 88 GLY H . 53316 1 224 . 1 . 1 53 53 GLY C C 13 174.7020472 0 . . . . . . . 88 GLY C . 53316 1 225 . 1 . 1 53 53 GLY CA C 13 43.9433088 0.02570822853 . . . . . . . 88 GLY CA . 53316 1 226 . 1 . 1 53 53 GLY N N 15 104.8373247 0.01172473501 . . . . . . . 88 GLY N . 53316 1 227 . 1 . 1 54 54 ILE H H 1 9.176347199 0.002371670107 . . . . . . . 89 ILE H . 53316 1 228 . 1 . 1 54 54 ILE HG21 H 1 0.3834356503 0.00438636622 . . . . . . . 89 ILE HG2 . 53316 1 229 . 1 . 1 54 54 ILE HG22 H 1 0.3834356503 0.00438636622 . . . . . . . 89 ILE HG2 . 53316 1 230 . 1 . 1 54 54 ILE HG23 H 1 0.3834356503 0.00438636622 . . . . . . . 89 ILE HG2 . 53316 1 231 . 1 . 1 54 54 ILE HD11 H 1 -0.0005956872404 0.001695483425 . . . . . . . 89 ILE HD1 . 53316 1 232 . 1 . 1 54 54 ILE HD12 H 1 -0.0005956872404 0.001695483425 . . . . . . . 89 ILE HD1 . 53316 1 233 . 1 . 1 54 54 ILE HD13 H 1 -0.0005956872404 0.001695483425 . . . . . . . 89 ILE HD1 . 53316 1 234 . 1 . 1 54 54 ILE C C 13 177.7442055 0 . . . . . . . 89 ILE C . 53316 1 235 . 1 . 1 54 54 ILE CA C 13 58.97649668 0.0281676501 . . . . . . . 89 ILE CA . 53316 1 236 . 1 . 1 54 54 ILE CB C 13 43.07709375 0.002076834615 . . . . . . . 89 ILE CB . 53316 1 237 . 1 . 1 54 54 ILE CG2 C 13 17.13378437 0.07648014201 . . . . . . . 89 ILE CG2 . 53316 1 238 . 1 . 1 54 54 ILE CD1 C 13 14.73590949 0.08333871339 . . . . . . . 89 ILE CD1 . 53316 1 239 . 1 . 1 54 54 ILE N N 15 119.6761842 0.006031044068 . . . . . . . 89 ILE N . 53316 1 240 . 1 . 1 55 55 ALA H H 1 8.103931898 0.003068961606 . . . . . . . 90 ALA H . 53316 1 241 . 1 . 1 55 55 ALA HB1 H 1 1.137487804 0.006521538222 . . . . . . . 90 ALA HB . 53316 1 242 . 1 . 1 55 55 ALA HB2 H 1 1.137487804 0.006521538222 . . . . . . . 90 ALA HB . 53316 1 243 . 1 . 1 55 55 ALA HB3 H 1 1.137487804 0.006521538222 . . . . . . . 90 ALA HB . 53316 1 244 . 1 . 1 55 55 ALA C C 13 178.7693432 0 . . . . . . . 90 ALA C . 53316 1 245 . 1 . 1 55 55 ALA CA C 13 49.7637421 0.01752442504 . . . . . . . 90 ALA CA . 53316 1 246 . 1 . 1 55 55 ALA CB C 13 21.41336966 0.1581082852 . . . . . . . 90 ALA CB . 53316 1 247 . 1 . 1 55 55 ALA N N 15 127.0425444 0.008598067953 . . . . . . . 90 ALA N . 53316 1 248 . 1 . 1 56 56 MET H H 1 9.164624572 0.003770167923 . . . . . . . 91 MET H . 53316 1 249 . 1 . 1 56 56 MET HE1 H 1 1.457928395 0 . . . . . . . 91 MET HE . 53316 1 250 . 1 . 1 56 56 MET HE2 H 1 1.457928395 0 . . . . . . . 91 MET HE . 53316 1 251 . 1 . 1 56 56 MET HE3 H 1 1.457928395 0 . . . . . . . 91 MET HE . 53316 1 252 . 1 . 1 56 56 MET C C 13 177.6730154 0 . . . . . . . 91 MET C . 53316 1 253 . 1 . 1 56 56 MET CA C 13 53.16808455 0.001647750111 . . . . . . . 91 MET CA . 53316 1 254 . 1 . 1 56 56 MET CB C 13 38.46186057 0.01067128617 . . . . . . . 91 MET CB . 53316 1 255 . 1 . 1 56 56 MET CE C 13 16.29637066 0 . . . . . . . 91 MET CE . 53316 1 256 . 1 . 1 56 56 MET N N 15 118.3428205 0.008256492551 . . . . . . . 91 MET N . 53316 1 257 . 1 . 1 57 57 SER H H 1 7.799699098 0.003377572782 . . . . . . . 92 SER H . 53316 1 258 . 1 . 1 57 57 SER CA C 13 53.46981707 0 . . . . . . . 92 SER CA . 53316 1 259 . 1 . 1 57 57 SER CB C 13 66.31263028 0 . . . . . . . 92 SER CB . 53316 1 260 . 1 . 1 57 57 SER N N 15 114.0637812 0.04244776173 . . . . . . . 92 SER N . 53316 1 261 . 1 . 1 58 58 PRO C C 13 179.2318597 0 . . . . . . . 93 PRO C . 53316 1 262 . 1 . 1 59 59 GLY H H 1 9.765989599 0.004278090574 . . . . . . . 94 GLY H . 53316 1 263 . 1 . 1 59 59 GLY CA C 13 45.02929584 0 . . . . . . . 94 GLY CA . 53316 1 264 . 1 . 1 59 59 GLY N N 15 109.9303903 0.01903502473 . . . . . . . 94 GLY N . 53316 1 265 . 1 . 1 61 61 THR HG21 H 1 0.5091538494 0.00284546504 . . . . . . . 96 THR HG2 . 53316 1 266 . 1 . 1 61 61 THR HG22 H 1 0.5091538494 0.00284546504 . . . . . . . 96 THR HG2 . 53316 1 267 . 1 . 1 61 61 THR HG23 H 1 0.5091538494 0.00284546504 . . . . . . . 96 THR HG2 . 53316 1 268 . 1 . 1 61 61 THR C C 13 174.4958114 0 . . . . . . . 96 THR C . 53316 1 269 . 1 . 1 61 61 THR CG2 C 13 22.13436715 0.04082159911 . . . . . . . 96 THR CG2 . 53316 1 270 . 1 . 1 62 62 ALA H H 1 7.854630154 0.004574657103 . . . . . . . 97 ALA H . 53316 1 271 . 1 . 1 62 62 ALA HB1 H 1 1.472114941 0.0005808675757 . . . . . . . 97 ALA HB . 53316 1 272 . 1 . 1 62 62 ALA HB2 H 1 1.472114941 0.0005808675757 . . . . . . . 97 ALA HB . 53316 1 273 . 1 . 1 62 62 ALA HB3 H 1 1.472114941 0.0005808675757 . . . . . . . 97 ALA HB . 53316 1 274 . 1 . 1 62 62 ALA C C 13 178.9871512 0 . . . . . . . 97 ALA C . 53316 1 275 . 1 . 1 62 62 ALA CA C 13 51.75101148 0.05297613181 . . . . . . . 97 ALA CA . 53316 1 276 . 1 . 1 62 62 ALA CB C 13 22.24501539 0.08853504416 . . . . . . . 97 ALA CB . 53316 1 277 . 1 . 1 62 62 ALA N N 15 124.3333678 0.006368069254 . . . . . . . 97 ALA N . 53316 1 278 . 1 . 1 63 63 ASP H H 1 8.373603069 0.005629077027 . . . . . . . 98 ASP H . 53316 1 279 . 1 . 1 63 63 ASP C C 13 179.9685134 0 . . . . . . . 98 ASP C . 53316 1 280 . 1 . 1 63 63 ASP CA C 13 52.55411243 0.0036830749 . . . . . . . 98 ASP CA . 53316 1 281 . 1 . 1 63 63 ASP CB C 13 43.73257369 0.02921408922 . . . . . . . 98 ASP CB . 53316 1 282 . 1 . 1 63 63 ASP N N 15 118.7974378 0.006798826405 . . . . . . . 98 ASP N . 53316 1 283 . 1 . 1 64 64 ALA H H 1 9.183344853 0.003317157261 . . . . . . . 99 ALA H . 53316 1 284 . 1 . 1 64 64 ALA HB1 H 1 1.177534607 0 . . . . . . . 99 ALA HB . 53316 1 285 . 1 . 1 64 64 ALA HB2 H 1 1.177534607 0 . . . . . . . 99 ALA HB . 53316 1 286 . 1 . 1 64 64 ALA HB3 H 1 1.177534607 0 . . . . . . . 99 ALA HB . 53316 1 287 . 1 . 1 64 64 ALA CA C 13 55.8083979 0 . . . . . . . 99 ALA CA . 53316 1 288 . 1 . 1 64 64 ALA CB C 13 18.12737749 0.06887900283 . . . . . . . 99 ALA CB . 53316 1 289 . 1 . 1 64 64 ALA N N 15 123.5380234 0.01938282174 . . . . . . . 99 ALA N . 53316 1 290 . 1 . 1 65 65 SER C C 13 179.8819572 0 . . . . . . . 100 SER C . 53316 1 291 . 1 . 1 65 65 SER CA C 13 61.86333179 0 . . . . . . . 100 SER CA . 53316 1 292 . 1 . 1 65 65 SER CB C 13 64.19986066 0 . . . . . . . 100 SER CB . 53316 1 293 . 1 . 1 66 66 SER H H 1 8.04461729 0.003790562865 . . . . . . . 101 SER H . 53316 1 294 . 1 . 1 66 66 SER C C 13 177.0382932 0 . . . . . . . 101 SER C . 53316 1 295 . 1 . 1 66 66 SER CA C 13 61.50261681 0.03356058018 . . . . . . . 101 SER CA . 53316 1 296 . 1 . 1 66 66 SER CB C 13 63.90587425 0.02793342575 . . . . . . . 101 SER CB . 53316 1 297 . 1 . 1 66 66 SER N N 15 119.4396915 0.00500012399 . . . . . . . 101 SER N . 53316 1 298 . 1 . 1 67 67 LEU H H 1 7.21283259 0.002578403693 . . . . . . . 102 LEU H . 53316 1 299 . 1 . 1 67 67 LEU C C 13 179.0993803 0 . . . . . . . 102 LEU C . 53316 1 300 . 1 . 1 67 67 LEU CA C 13 53.07363834 0.02088241067 . . . . . . . 102 LEU CA . 53316 1 301 . 1 . 1 67 67 LEU CB C 13 44.53391501 0.01904785406 . . . . . . . 102 LEU CB . 53316 1 302 . 1 . 1 67 67 LEU N N 15 118.8992477 0.01121848417 . . . . . . . 102 LEU N . 53316 1 303 . 1 . 1 68 68 ALA H H 1 7.578545079 0.005956471546 . . . . . . . 103 ALA H . 53316 1 304 . 1 . 1 68 68 ALA HB1 H 1 1.581901883 0.005099737102 . . . . . . . 103 ALA HB . 53316 1 305 . 1 . 1 68 68 ALA HB2 H 1 1.581901883 0.005099737102 . . . . . . . 103 ALA HB . 53316 1 306 . 1 . 1 68 68 ALA HB3 H 1 1.581901883 0.005099737102 . . . . . . . 103 ALA HB . 53316 1 307 . 1 . 1 68 68 ALA C C 13 182.5463268 0 . . . . . . . 103 ALA C . 53316 1 308 . 1 . 1 68 68 ALA CA C 13 56.38450169 0.05757972238 . . . . . . . 103 ALA CA . 53316 1 309 . 1 . 1 68 68 ALA CB C 13 19.17981119 0.04874786422 . . . . . . . 103 ALA CB . 53316 1 310 . 1 . 1 68 68 ALA N N 15 126.2493806 0.01747121993 . . . . . . . 103 ALA N . 53316 1 311 . 1 . 1 69 69 TRP H H 1 8.450832733 0.005288309067 . . . . . . . 104 TRP H . 53316 1 312 . 1 . 1 69 69 TRP CA C 13 59.294493 0 . . . . . . . 104 TRP CA . 53316 1 313 . 1 . 1 69 69 TRP CB C 13 26.103 3.450390028 . . . . . . . 104 TRP CB . 53316 1 314 . 1 . 1 69 69 TRP N N 15 115.5031668 0.02983430904 . . . . . . . 104 TRP N . 53316 1 315 . 1 . 1 70 70 LEU HD11 H 1 0.1671489035 0.006407625078 . . . . . . . 105 LEU HD1 . 53316 1 316 . 1 . 1 70 70 LEU HD12 H 1 0.1671489035 0.006407625078 . . . . . . . 105 LEU HD1 . 53316 1 317 . 1 . 1 70 70 LEU HD13 H 1 0.1671489035 0.006407625078 . . . . . . . 105 LEU HD1 . 53316 1 318 . 1 . 1 70 70 LEU HD21 H 1 0.3650268813 0.007229792618 . . . . . . . 105 LEU HD2 . 53316 1 319 . 1 . 1 70 70 LEU HD22 H 1 0.3650268813 0.007229792618 . . . . . . . 105 LEU HD2 . 53316 1 320 . 1 . 1 70 70 LEU HD23 H 1 0.3650268813 0.007229792618 . . . . . . . 105 LEU HD2 . 53316 1 321 . 1 . 1 70 70 LEU C C 13 180.4125933 0 . . . . . . . 105 LEU C . 53316 1 322 . 1 . 1 70 70 LEU CA C 13 55.31742888 0 . . . . . . . 105 LEU CA . 53316 1 323 . 1 . 1 70 70 LEU CB C 13 40.83629677 0 . . . . . . . 105 LEU CB . 53316 1 324 . 1 . 1 70 70 LEU CD1 C 13 21.04118443 0.07927077987 . . . . . . . 105 LEU CD1 . 53316 1 325 . 1 . 1 70 70 LEU CD2 C 13 25.41026278 0.03047715593 . . . . . . . 105 LEU CD2 . 53316 1 326 . 1 . 1 71 71 GLY H H 1 8.090953213 0.003699599336 . . . . . . . 106 GLY H . 53316 1 327 . 1 . 1 71 71 GLY C C 13 176.3272589 0 . . . . . . . 106 GLY C . 53316 1 328 . 1 . 1 71 71 GLY CA C 13 47.67679496 0.05832279587 . . . . . . . 106 GLY CA . 53316 1 329 . 1 . 1 71 71 GLY N N 15 108.4050457 0.01724213235 . . . . . . . 106 GLY N . 53316 1 330 . 1 . 1 72 72 ARG H H 1 7.235689891 0.004337549205 . . . . . . . 107 ARG H . 53316 1 331 . 1 . 1 72 72 ARG C C 13 180.2613712 0 . . . . . . . 107 ARG C . 53316 1 332 . 1 . 1 72 72 ARG CA C 13 60.00268022 0.02625448552 . . . . . . . 107 ARG CA . 53316 1 333 . 1 . 1 72 72 ARG CB C 13 30.04579927 0.004716726541 . . . . . . . 107 ARG CB . 53316 1 334 . 1 . 1 72 72 ARG N N 15 119.8340739 0.01108308568 . . . . . . . 107 ARG N . 53316 1 335 . 1 . 1 73 73 ARG H H 1 7.809794319 0.002708146371 . . . . . . . 108 ARG H . 53316 1 336 . 1 . 1 73 73 ARG C C 13 182.6062144 0 . . . . . . . 108 ARG C . 53316 1 337 . 1 . 1 73 73 ARG CA C 13 57.43796394 0.01358138672 . . . . . . . 108 ARG CA . 53316 1 338 . 1 . 1 73 73 ARG CB C 13 28.48196113 0.01522290201 . . . . . . . 108 ARG CB . 53316 1 339 . 1 . 1 73 73 ARG N N 15 119.058342 0.02690691338 . . . . . . . 108 ARG N . 53316 1 340 . 1 . 1 74 74 LEU H H 1 8.565963585 0.004153220976 . . . . . . . 109 LEU H . 53316 1 341 . 1 . 1 74 74 LEU HD11 H 1 0.3286531436 0.008895074562 . . . . . . . 109 LEU HD1 . 53316 1 342 . 1 . 1 74 74 LEU HD12 H 1 0.3286531436 0.008895074562 . . . . . . . 109 LEU HD1 . 53316 1 343 . 1 . 1 74 74 LEU HD13 H 1 0.3286531436 0.008895074562 . . . . . . . 109 LEU HD1 . 53316 1 344 . 1 . 1 74 74 LEU C C 13 180.984472 0 . . . . . . . 109 LEU C . 53316 1 345 . 1 . 1 74 74 LEU CA C 13 58.77676731 0.02009566982 . . . . . . . 109 LEU CA . 53316 1 346 . 1 . 1 74 74 LEU CB C 13 42.66004011 0.02009566982 . . . . . . . 109 LEU CB . 53316 1 347 . 1 . 1 74 74 LEU CD1 C 13 23.61970296 0.01307199641 . . . . . . . 109 LEU CD1 . 53316 1 348 . 1 . 1 74 74 LEU N N 15 118.9169193 0.01278717976 . . . . . . . 109 LEU N . 53316 1 349 . 1 . 1 75 75 ALA H H 1 7.950721881 0.00207417867 . . . . . . . 110 ALA H . 53316 1 350 . 1 . 1 75 75 ALA HB1 H 1 1.258171938 0.005373275368 . . . . . . . 110 ALA HB . 53316 1 351 . 1 . 1 75 75 ALA HB2 H 1 1.258171938 0.005373275368 . . . . . . . 110 ALA HB . 53316 1 352 . 1 . 1 75 75 ALA HB3 H 1 1.258171938 0.005373275368 . . . . . . . 110 ALA HB . 53316 1 353 . 1 . 1 75 75 ALA C C 13 184.3844976 0 . . . . . . . 110 ALA C . 53316 1 354 . 1 . 1 75 75 ALA CA C 13 55.4404041 0.01805126443 . . . . . . . 110 ALA CA . 53316 1 355 . 1 . 1 75 75 ALA CB C 13 19.8224815 0.04569623686 . . . . . . . 110 ALA CB . 53316 1 356 . 1 . 1 75 75 ALA N N 15 121.4597627 0.000535924238 . . . . . . . 110 ALA N . 53316 1 357 . 1 . 1 76 76 SER H H 1 8.368794915 0.004768958209 . . . . . . . 111 SER H . 53316 1 358 . 1 . 1 76 76 SER C C 13 177.3558934 0 . . . . . . . 111 SER C . 53316 1 359 . 1 . 1 76 76 SER CA C 13 60.67157908 0.0461832755 . . . . . . . 111 SER CA . 53316 1 360 . 1 . 1 76 76 SER CB C 13 62.77351997 0.02583031845 . . . . . . . 111 SER CB . 53316 1 361 . 1 . 1 76 76 SER N N 15 111.636044 0.006906732605 . . . . . . . 111 SER N . 53316 1 362 . 1 . 1 77 77 HIS H H 1 7.668213191 0.006039096315 . . . . . . . 112 HIS H . 53316 1 363 . 1 . 1 77 77 HIS C C 13 176.9499966 0 . . . . . . . 112 HIS C . 53316 1 364 . 1 . 1 77 77 HIS CA C 13 58.92999022 0.02118270388 . . . . . . . 112 HIS CA . 53316 1 365 . 1 . 1 77 77 HIS CB C 13 32.41876378 0.02110191438 . . . . . . . 112 HIS CB . 53316 1 366 . 1 . 1 77 77 HIS N N 15 120.300032 0.0182896823 . . . . . . . 112 HIS N . 53316 1 367 . 1 . 1 78 78 GLY H H 1 8.17227256 0.003536256219 . . . . . . . 113 GLY H . 53316 1 368 . 1 . 1 78 78 GLY C C 13 173.3371823 0 . . . . . . . 113 GLY C . 53316 1 369 . 1 . 1 78 78 GLY CA C 13 46.95072552 0.002711924468 . . . . . . . 113 GLY CA . 53316 1 370 . 1 . 1 78 78 GLY N N 15 108.8104009 0.009890954358 . . . . . . . 113 GLY N . 53316 1 371 . 1 . 1 79 79 PHE H H 1 7.218306816 0.003307103555 . . . . . . . 114 PHE H . 53316 1 372 . 1 . 1 79 79 PHE C C 13 175.8979088 0 . . . . . . . 114 PHE C . 53316 1 373 . 1 . 1 79 79 PHE CA C 13 58.35568245 0.00000095 . . . . . . . 114 PHE CA . 53316 1 374 . 1 . 1 79 79 PHE CB C 13 44.24610881 0.01435536001 . . . . . . . 114 PHE CB . 53316 1 375 . 1 . 1 79 79 PHE N N 15 118.2222425 0.01616324235 . . . . . . . 114 PHE N . 53316 1 376 . 1 . 1 80 80 VAL H H 1 8.947395518 0.004962017066 . . . . . . . 115 VAL H . 53316 1 377 . 1 . 1 80 80 VAL HG11 H 1 0.7599812182 0 . . . . . . . 115 VAL HG1 . 53316 1 378 . 1 . 1 80 80 VAL HG12 H 1 0.7599812182 0 . . . . . . . 115 VAL HG1 . 53316 1 379 . 1 . 1 80 80 VAL HG13 H 1 0.7599812182 0 . . . . . . . 115 VAL HG1 . 53316 1 380 . 1 . 1 80 80 VAL HG21 H 1 0.8444382617 0.000963620668 . . . . . . . 115 VAL HG2 . 53316 1 381 . 1 . 1 80 80 VAL HG22 H 1 0.8444382617 0.000963620668 . . . . . . . 115 VAL HG2 . 53316 1 382 . 1 . 1 80 80 VAL HG23 H 1 0.8444382617 0.000963620668 . . . . . . . 115 VAL HG2 . 53316 1 383 . 1 . 1 80 80 VAL C C 13 177.8164605 0 . . . . . . . 115 VAL C . 53316 1 384 . 1 . 1 80 80 VAL CA C 13 63.08863869 0.02973859103 . . . . . . . 115 VAL CA . 53316 1 385 . 1 . 1 80 80 VAL CB C 13 32.13076543 0 . . . . . . . 115 VAL CB . 53316 1 386 . 1 . 1 80 80 VAL CG1 C 13 22.25427522 0.0108455253 . . . . . . . 115 VAL CG1 . 53316 1 387 . 1 . 1 80 80 VAL CG2 C 13 21.67219915 0.03244344417 . . . . . . . 115 VAL CG2 . 53316 1 388 . 1 . 1 80 80 VAL N N 15 121.0646399 0.01580741189 . . . . . . . 115 VAL N . 53316 1 389 . 1 . 1 81 81 VAL H H 1 9.521532482 0.00335117873 . . . . . . . 116 VAL H . 53316 1 390 . 1 . 1 81 81 VAL HG11 H 1 0.7517202665 0 . . . . . . . 116 VAL HG1 . 53316 1 391 . 1 . 1 81 81 VAL HG12 H 1 0.7517202665 0 . . . . . . . 116 VAL HG1 . 53316 1 392 . 1 . 1 81 81 VAL HG13 H 1 0.7517202665 0 . . . . . . . 116 VAL HG1 . 53316 1 393 . 1 . 1 81 81 VAL HG21 H 1 0.7817741771 0.02889758844 . . . . . . . 116 VAL HG2 . 53316 1 394 . 1 . 1 81 81 VAL HG22 H 1 0.7817741771 0.02889758844 . . . . . . . 116 VAL HG2 . 53316 1 395 . 1 . 1 81 81 VAL HG23 H 1 0.7817741771 0.02889758844 . . . . . . . 116 VAL HG2 . 53316 1 396 . 1 . 1 81 81 VAL C C 13 176.6821313 0 . . . . . . . 116 VAL C . 53316 1 397 . 1 . 1 81 81 VAL CA C 13 60.74176822 0.002478215976 . . . . . . . 116 VAL CA . 53316 1 398 . 1 . 1 81 81 VAL CB C 13 35.22110069 0.002478215838 . . . . . . . 116 VAL CB . 53316 1 399 . 1 . 1 81 81 VAL CG1 C 13 22.42508978 0 . . . . . . . 116 VAL CG1 . 53316 1 400 . 1 . 1 81 81 VAL CG2 C 13 22.09992991 0.1352133265 . . . . . . . 116 VAL CG2 . 53316 1 401 . 1 . 1 81 81 VAL N N 15 127.3079695 0.002634302233 . . . . . . . 116 VAL N . 53316 1 402 . 1 . 1 82 82 LEU H H 1 9.258225613 0.005585603894 . . . . . . . 117 LEU H . 53316 1 403 . 1 . 1 82 82 LEU HD11 H 1 0.7359660748 0.0009044269473 . . . . . . . 117 LEU HD1 . 53316 1 404 . 1 . 1 82 82 LEU HD12 H 1 0.7359660748 0.0009044269473 . . . . . . . 117 LEU HD1 . 53316 1 405 . 1 . 1 82 82 LEU HD13 H 1 0.7359660748 0.0009044269473 . . . . . . . 117 LEU HD1 . 53316 1 406 . 1 . 1 82 82 LEU HD21 H 1 0.8104572039 0.00136050038 . . . . . . . 117 LEU HD2 . 53316 1 407 . 1 . 1 82 82 LEU HD22 H 1 0.8104572039 0.00136050038 . . . . . . . 117 LEU HD2 . 53316 1 408 . 1 . 1 82 82 LEU HD23 H 1 0.8104572039 0.00136050038 . . . . . . . 117 LEU HD2 . 53316 1 409 . 1 . 1 82 82 LEU C C 13 176.9221994 0 . . . . . . . 117 LEU C . 53316 1 410 . 1 . 1 82 82 LEU CA C 13 53.26076141 0.01559634458 . . . . . . . 117 LEU CA . 53316 1 411 . 1 . 1 82 82 LEU CB C 13 44.96130058 0.04294100283 . . . . . . . 117 LEU CB . 53316 1 412 . 1 . 1 82 82 LEU CD1 C 13 22.67562273 0.07069233502 . . . . . . . 117 LEU CD1 . 53316 1 413 . 1 . 1 82 82 LEU CD2 C 13 29.080552 0.1250534335 . . . . . . . 117 LEU CD2 . 53316 1 414 . 1 . 1 82 82 LEU N N 15 129.630057 0.00744060931 . . . . . . . 117 LEU N . 53316 1 415 . 1 . 1 83 83 VAL H H 1 9.353048458 0.004357995689 . . . . . . . 118 VAL H . 53316 1 416 . 1 . 1 83 83 VAL HG11 H 1 0.8625578019 0.007271826397 . . . . . . . 118 VAL HG1 . 53316 1 417 . 1 . 1 83 83 VAL HG12 H 1 0.8625578019 0.007271826397 . . . . . . . 118 VAL HG1 . 53316 1 418 . 1 . 1 83 83 VAL HG13 H 1 0.8625578019 0.007271826397 . . . . . . . 118 VAL HG1 . 53316 1 419 . 1 . 1 83 83 VAL HG21 H 1 0.9730242135 0 . . . . . . . 118 VAL HG2 . 53316 1 420 . 1 . 1 83 83 VAL HG22 H 1 0.9730242135 0 . . . . . . . 118 VAL HG2 . 53316 1 421 . 1 . 1 83 83 VAL HG23 H 1 0.9730242135 0 . . . . . . . 118 VAL HG2 . 53316 1 422 . 1 . 1 83 83 VAL C C 13 178.2582477 0 . . . . . . . 118 VAL C . 53316 1 423 . 1 . 1 83 83 VAL CA C 13 61.56549301 0.0170190897 . . . . . . . 118 VAL CA . 53316 1 424 . 1 . 1 83 83 VAL CB C 13 31.77325329 0.03348997173 . . . . . . . 118 VAL CB . 53316 1 425 . 1 . 1 83 83 VAL CG1 C 13 21.93303007 0.1130618055 . . . . . . . 118 VAL CG1 . 53316 1 426 . 1 . 1 83 83 VAL CG2 C 13 23.41499964 0 . . . . . . . 118 VAL CG2 . 53316 1 427 . 1 . 1 83 83 VAL N N 15 128.9304174 0.00123252361 . . . . . . . 118 VAL N . 53316 1 428 . 1 . 1 84 84 ILE H H 1 8.224685297 0.004775125086 . . . . . . . 119 ILE H . 53316 1 429 . 1 . 1 84 84 ILE HG21 H 1 0.5759907531 0.01018282137 . . . . . . . 119 ILE HG2 . 53316 1 430 . 1 . 1 84 84 ILE HG22 H 1 0.5759907531 0.01018282137 . . . . . . . 119 ILE HG2 . 53316 1 431 . 1 . 1 84 84 ILE HG23 H 1 0.5759907531 0.01018282137 . . . . . . . 119 ILE HG2 . 53316 1 432 . 1 . 1 84 84 ILE HD11 H 1 0.6386921724 0 . . . . . . . 119 ILE HD1 . 53316 1 433 . 1 . 1 84 84 ILE HD12 H 1 0.6386921724 0 . . . . . . . 119 ILE HD1 . 53316 1 434 . 1 . 1 84 84 ILE HD13 H 1 0.6386921724 0 . . . . . . . 119 ILE HD1 . 53316 1 435 . 1 . 1 84 84 ILE C C 13 178.2261238 0 . . . . . . . 119 ILE C . 53316 1 436 . 1 . 1 84 84 ILE CA C 13 62.01986956 0.00996924855 . . . . . . . 119 ILE CA . 53316 1 437 . 1 . 1 84 84 ILE CB C 13 38.88566319 0.003346997119 . . . . . . . 119 ILE CB . 53316 1 438 . 1 . 1 84 84 ILE CG2 C 13 19.34053572 0.08228900835 . . . . . . . 119 ILE CG2 . 53316 1 439 . 1 . 1 84 84 ILE CD1 C 13 14.23683397 0.03260333114 . . . . . . . 119 ILE CD1 . 53316 1 440 . 1 . 1 84 84 ILE N N 15 119.3202491 0.01159989593 . . . . . . . 119 ILE N . 53316 1 441 . 1 . 1 85 85 ASN H H 1 8.074093955 0.003185448701 . . . . . . . 120 ASN H . 53316 1 442 . 1 . 1 85 85 ASN C C 13 179.5976367 0 . . . . . . . 120 ASN C . 53316 1 443 . 1 . 1 85 85 ASN CA C 13 52.28338256 0.06258265865 . . . . . . . 120 ASN CA . 53316 1 444 . 1 . 1 85 85 ASN CB C 13 40.8207636 0.01183324785 . . . . . . . 120 ASN CB . 53316 1 445 . 1 . 1 85 85 ASN N N 15 114.8770464 0.004807003125 . . . . . . . 120 ASN N . 53316 1 446 . 1 . 1 86 86 THR H H 1 8.381736675 0.003593775551 . . . . . . . 121 THR H . 53316 1 447 . 1 . 1 86 86 THR HG21 H 1 0.9787643585 0.001278263923 . . . . . . . 121 THR HG2 . 53316 1 448 . 1 . 1 86 86 THR HG22 H 1 0.9787643585 0.001278263923 . . . . . . . 121 THR HG2 . 53316 1 449 . 1 . 1 86 86 THR HG23 H 1 0.9787643585 0.001278263923 . . . . . . . 121 THR HG2 . 53316 1 450 . 1 . 1 86 86 THR C C 13 179.0382906 0 . . . . . . . 121 THR C . 53316 1 451 . 1 . 1 86 86 THR CA C 13 60.33174591 0.006019508883 . . . . . . . 121 THR CA . 53316 1 452 . 1 . 1 86 86 THR CB C 13 70.10471502 0.02751229695 . . . . . . . 121 THR CB . 53316 1 453 . 1 . 1 86 86 THR CG2 C 13 22.93279036 0.04489900962 . . . . . . . 121 THR CG2 . 53316 1 454 . 1 . 1 86 86 THR N N 15 109.7259114 0.009680775748 . . . . . . . 121 THR N . 53316 1 455 . 1 . 1 87 87 ASN H H 1 9.711071467 0.003210702482 . . . . . . . 122 ASN H . 53316 1 456 . 1 . 1 87 87 ASN C C 13 179.463311 0 . . . . . . . 122 ASN C . 53316 1 457 . 1 . 1 87 87 ASN CA C 13 56.52894827 0.03371783696 . . . . . . . 122 ASN CA . 53316 1 458 . 1 . 1 87 87 ASN CB C 13 38.15890984 0.04075278478 . . . . . . . 122 ASN CB . 53316 1 459 . 1 . 1 87 87 ASN N N 15 123.4076591 0.007462466974 . . . . . . . 122 ASN N . 53316 1 460 . 1 . 1 88 88 SER H H 1 8.792003873 0.004348722757 . . . . . . . 123 SER H . 53316 1 461 . 1 . 1 88 88 SER CA C 13 56.04207195 0 . . . . . . . 123 SER CA . 53316 1 462 . 1 . 1 88 88 SER CB C 13 65.37900379 0 . . . . . . . 123 SER CB . 53316 1 463 . 1 . 1 88 88 SER N N 15 112.4648142 0.0231146801 . . . . . . . 123 SER N . 53316 1 464 . 1 . 1 95 95 SER C C 13 181.4873444 0 . . . . . . . 130 SER C . 53316 1 465 . 1 . 1 95 95 SER CA C 13 60.93120767 0 . . . . . . . 130 SER CA . 53316 1 466 . 1 . 1 95 95 SER CB C 13 63.25328824 0 . . . . . . . 130 SER CB . 53316 1 467 . 1 . 1 96 96 ARG H H 1 8.182506335 0.001963317426 . . . . . . . 131 ARG H . 53316 1 468 . 1 . 1 96 96 ARG C C 13 180.631649 0 . . . . . . . 131 ARG C . 53316 1 469 . 1 . 1 96 96 ARG CA C 13 60.69809184 0 . . . . . . . 131 ARG CA . 53316 1 470 . 1 . 1 96 96 ARG CB C 13 28.31151779 0.02858479616 . . . . . . . 131 ARG CB . 53316 1 471 . 1 . 1 96 96 ARG N N 15 119.6534122 0.004320138127 . . . . . . . 131 ARG N . 53316 1 472 . 1 . 1 97 97 ALA H H 1 8.018901553 0.005540510961 . . . . . . . 132 ALA H . 53316 1 473 . 1 . 1 97 97 ALA HB1 H 1 1.753565903 0.002161639619 . . . . . . . 132 ALA HB . 53316 1 474 . 1 . 1 97 97 ALA HB2 H 1 1.753565903 0.002161639619 . . . . . . . 132 ALA HB . 53316 1 475 . 1 . 1 97 97 ALA HB3 H 1 1.753565903 0.002161639619 . . . . . . . 132 ALA HB . 53316 1 476 . 1 . 1 97 97 ALA C C 13 181.8167351 0 . . . . . . . 132 ALA C . 53316 1 477 . 1 . 1 97 97 ALA CA C 13 56.15951105 0 . . . . . . . 132 ALA CA . 53316 1 478 . 1 . 1 97 97 ALA CB C 13 19.39306767 0.06502354954 . . . . . . . 132 ALA CB . 53316 1 479 . 1 . 1 97 97 ALA N N 15 121.9165898 0.01943971205 . . . . . . . 132 ALA N . 53316 1 480 . 1 . 1 98 98 SER H H 1 7.547236866 0.004096070627 . . . . . . . 133 SER H . 53316 1 481 . 1 . 1 98 98 SER C C 13 180.2438026 0 . . . . . . . 133 SER C . 53316 1 482 . 1 . 1 98 98 SER CA C 13 61.80451203 0.06203297778 . . . . . . . 133 SER CA . 53316 1 483 . 1 . 1 98 98 SER CB C 13 63.16923754 0 . . . . . . . 133 SER CB . 53316 1 484 . 1 . 1 98 98 SER N N 15 113.7395354 0.01541856454 . . . . . . . 133 SER N . 53316 1 485 . 1 . 1 99 99 GLN H H 1 8.113228495 0.004086226661 . . . . . . . 134 GLN H . 53316 1 486 . 1 . 1 99 99 GLN C C 13 181.115045 0 . . . . . . . 134 GLN C . 53316 1 487 . 1 . 1 99 99 GLN CA C 13 59.63467167 0.02194851157 . . . . . . . 134 GLN CA . 53316 1 488 . 1 . 1 99 99 GLN CB C 13 29.83116435 0.05824217966 . . . . . . . 134 GLN CB . 53316 1 489 . 1 . 1 99 99 GLN N N 15 123.5822288 0.01064142075 . . . . . . . 134 GLN N . 53316 1 490 . 1 . 1 100 100 LEU H H 1 8.497989794 0.002981776331 . . . . . . . 135 LEU H . 53316 1 491 . 1 . 1 100 100 LEU HD11 H 1 0.6054920111 0.001656726786 . . . . . . . 135 LEU HD1 . 53316 1 492 . 1 . 1 100 100 LEU HD12 H 1 0.6054920111 0.001656726786 . . . . . . . 135 LEU HD1 . 53316 1 493 . 1 . 1 100 100 LEU HD13 H 1 0.6054920111 0.001656726786 . . . . . . . 135 LEU HD1 . 53316 1 494 . 1 . 1 100 100 LEU C C 13 181.0597619 0 . . . . . . . 135 LEU C . 53316 1 495 . 1 . 1 100 100 LEU CA C 13 58.16315058 0 . . . . . . . 135 LEU CA . 53316 1 496 . 1 . 1 100 100 LEU CB C 13 42.93320426 0.03739449374 . . . . . . . 135 LEU CB . 53316 1 497 . 1 . 1 100 100 LEU CD1 C 13 23.14784879 0.007436358382 . . . . . . . 135 LEU CD1 . 53316 1 498 . 1 . 1 100 100 LEU N N 15 121.5263438 0.005129982133 . . . . . . . 135 LEU N . 53316 1 499 . 1 . 1 101 101 SER H H 1 7.828515854 0.004245448263 . . . . . . . 136 SER H . 53316 1 500 . 1 . 1 101 101 SER C C 13 180.3288111 0 . . . . . . . 136 SER C . 53316 1 501 . 1 . 1 101 101 SER CA C 13 61.80019995 0.01553047471 . . . . . . . 136 SER CA . 53316 1 502 . 1 . 1 101 101 SER CB C 13 62.85627223 0.01553047471 . . . . . . . 136 SER CB . 53316 1 503 . 1 . 1 101 101 SER N N 15 114.3453985 0.007898928641 . . . . . . . 136 SER N . 53316 1 504 . 1 . 1 102 102 ALA H H 1 7.935696583 0.003080000826 . . . . . . . 137 ALA H . 53316 1 505 . 1 . 1 102 102 ALA HB1 H 1 1.702019694 0.0006171498755 . . . . . . . 137 ALA HB . 53316 1 506 . 1 . 1 102 102 ALA HB2 H 1 1.702019694 0.0006171498755 . . . . . . . 137 ALA HB . 53316 1 507 . 1 . 1 102 102 ALA HB3 H 1 1.702019694 0.0006171498755 . . . . . . . 137 ALA HB . 53316 1 508 . 1 . 1 102 102 ALA C C 13 183.2029715 0 . . . . . . . 137 ALA C . 53316 1 509 . 1 . 1 102 102 ALA CA C 13 55.11681451 0 . . . . . . . 137 ALA CA . 53316 1 510 . 1 . 1 102 102 ALA CB C 13 18.52862241 0.05494889092 . . . . . . . 137 ALA CB . 53316 1 511 . 1 . 1 102 102 ALA N N 15 123.4321961 0.005311386001 . . . . . . . 137 ALA N . 53316 1 512 . 1 . 1 103 103 ALA H H 1 8.249529984 0.002853057853 . . . . . . . 138 ALA H . 53316 1 513 . 1 . 1 103 103 ALA HB1 H 1 0.7180131358 0.006279021375 . . . . . . . 138 ALA HB . 53316 1 514 . 1 . 1 103 103 ALA HB2 H 1 0.7180131358 0.006279021375 . . . . . . . 138 ALA HB . 53316 1 515 . 1 . 1 103 103 ALA HB3 H 1 0.7180131358 0.006279021375 . . . . . . . 138 ALA HB . 53316 1 516 . 1 . 1 103 103 ALA C C 13 181.8894635 0 . . . . . . . 138 ALA C . 53316 1 517 . 1 . 1 103 103 ALA CA C 13 54.81049714 0.01009150985 . . . . . . . 138 ALA CA . 53316 1 518 . 1 . 1 103 103 ALA CB C 13 18.38612695 0.09651618285 . . . . . . . 138 ALA CB . 53316 1 519 . 1 . 1 103 103 ALA N N 15 123.8160791 0.005361577363 . . . . . . . 138 ALA N . 53316 1 520 . 1 . 1 104 104 LEU H H 1 8.161655112 0.003086208181 . . . . . . . 139 LEU H . 53316 1 521 . 1 . 1 104 104 LEU HD11 H 1 0.7304581194 0.0006837644314 . . . . . . . 139 LEU HD1 . 53316 1 522 . 1 . 1 104 104 LEU HD12 H 1 0.7304581194 0.0006837644314 . . . . . . . 139 LEU HD1 . 53316 1 523 . 1 . 1 104 104 LEU HD13 H 1 0.7304581194 0.0006837644314 . . . . . . . 139 LEU HD1 . 53316 1 524 . 1 . 1 104 104 LEU C C 13 181.6610935 0 . . . . . . . 139 LEU C . 53316 1 525 . 1 . 1 104 104 LEU CA C 13 58.30202115 0.02640332987 . . . . . . . 139 LEU CA . 53316 1 526 . 1 . 1 104 104 LEU CB C 13 42.03756995 0.02640332987 . . . . . . . 139 LEU CB . 53316 1 527 . 1 . 1 104 104 LEU CD1 C 13 23.74031764 0.008751682936 . . . . . . . 139 LEU CD1 . 53316 1 528 . 1 . 1 104 104 LEU N N 15 119.4834794 0.01239605929 . . . . . . . 139 LEU N . 53316 1 529 . 1 . 1 105 105 ASN H H 1 7.769670424 0.003160764189 . . . . . . . 140 ASN H . 53316 1 530 . 1 . 1 105 105 ASN C C 13 180.9742889 0 . . . . . . . 140 ASN C . 53316 1 531 . 1 . 1 105 105 ASN CA C 13 57.00825799 0 . . . . . . . 140 ASN CA . 53316 1 532 . 1 . 1 105 105 ASN CB C 13 38.44671709 0.02640332987 . . . . . . . 140 ASN CB . 53316 1 533 . 1 . 1 105 105 ASN N N 15 117.3802611 0.007871939877 . . . . . . . 140 ASN N . 53316 1 534 . 1 . 1 106 106 TYR H H 1 8.460405466 0.003844027551 . . . . . . . 141 TYR H . 53316 1 535 . 1 . 1 106 106 TYR C C 13 180.1659109 0 . . . . . . . 141 TYR C . 53316 1 536 . 1 . 1 106 106 TYR CA C 13 61.70805071 0 . . . . . . . 141 TYR CA . 53316 1 537 . 1 . 1 106 106 TYR CB C 13 38.05066714 0 . . . . . . . 141 TYR CB . 53316 1 538 . 1 . 1 106 106 TYR N N 15 123.1196309 0.005894046607 . . . . . . . 141 TYR N . 53316 1 539 . 1 . 1 107 107 LEU H H 1 8.550631202 0.004294305015 . . . . . . . 142 LEU H . 53316 1 540 . 1 . 1 107 107 LEU HD11 H 1 0.7111814523 0.001298011842 . . . . . . . 142 LEU HD1 . 53316 1 541 . 1 . 1 107 107 LEU HD12 H 1 0.7111814523 0.001298011842 . . . . . . . 142 LEU HD1 . 53316 1 542 . 1 . 1 107 107 LEU HD13 H 1 0.7111814523 0.001298011842 . . . . . . . 142 LEU HD1 . 53316 1 543 . 1 . 1 107 107 LEU C C 13 180.4959022 0 . . . . . . . 142 LEU C . 53316 1 544 . 1 . 1 107 107 LEU CA C 13 58.83746505 0.0565101994 . . . . . . . 142 LEU CA . 53316 1 545 . 1 . 1 107 107 LEU CB C 13 42.60821062 0.02440043553 . . . . . . . 142 LEU CB . 53316 1 546 . 1 . 1 107 107 LEU CD1 C 13 23.78318768 0.02331482636 . . . . . . . 142 LEU CD1 . 53316 1 547 . 1 . 1 107 107 LEU N N 15 120.5825672 0.01371828247 . . . . . . . 142 LEU N . 53316 1 548 . 1 . 1 108 108 ARG H H 1 7.466672345 0.003075421339 . . . . . . . 143 ARG H . 53316 1 549 . 1 . 1 108 108 ARG C C 13 179.49753 0 . . . . . . . 143 ARG C . 53316 1 550 . 1 . 1 108 108 ARG CA C 13 58.74383804 0.01795529989 . . . . . . . 143 ARG CA . 53316 1 551 . 1 . 1 108 108 ARG CB C 13 32.15353516 0.01346647492 . . . . . . . 143 ARG CB . 53316 1 552 . 1 . 1 108 108 ARG N N 15 111.2756313 0.01788352206 . . . . . . . 143 ARG N . 53316 1 553 . 1 . 1 109 109 THR H H 1 7.707080859 0.003721918101 . . . . . . . 144 THR H . 53316 1 554 . 1 . 1 109 109 THR HG21 H 1 1.140300463 0.005968260777 . . . . . . . 144 THR HG2 . 53316 1 555 . 1 . 1 109 109 THR HG22 H 1 1.140300463 0.005968260777 . . . . . . . 144 THR HG2 . 53316 1 556 . 1 . 1 109 109 THR HG23 H 1 1.140300463 0.005968260777 . . . . . . . 144 THR HG2 . 53316 1 557 . 1 . 1 109 109 THR C C 13 179.0607421 0 . . . . . . . 144 THR C . 53316 1 558 . 1 . 1 109 109 THR CA C 13 63.53058799 0 . . . . . . . 144 THR CA . 53316 1 559 . 1 . 1 109 109 THR CB C 13 72.02506581 0.02597699639 . . . . . . . 144 THR CB . 53316 1 560 . 1 . 1 109 109 THR CG2 C 13 21.49508594 0.03737457531 . . . . . . . 144 THR CG2 . 53316 1 561 . 1 . 1 109 109 THR N N 15 107.1996789 0.006068061285 . . . . . . . 144 THR N . 53316 1 562 . 1 . 1 110 110 SER H H 1 8.292262504 0.004133502487 . . . . . . . 145 SER H . 53316 1 563 . 1 . 1 110 110 SER C C 13 175.4485795 0 . . . . . . . 145 SER C . 53316 1 564 . 1 . 1 110 110 SER CA C 13 58.66801898 0.04058905685 . . . . . . . 145 SER CA . 53316 1 565 . 1 . 1 110 110 SER CB C 13 66.074663 0.02115338662 . . . . . . . 145 SER CB . 53316 1 566 . 1 . 1 110 110 SER N N 15 116.5970554 0.01581973532 . . . . . . . 145 SER N . 53316 1 567 . 1 . 1 111 111 SER H H 1 6.808096603 0.004422926432 . . . . . . . 146 SER H . 53316 1 568 . 1 . 1 111 111 SER CA C 13 56.73101899 0 . . . . . . . 146 SER CA . 53316 1 569 . 1 . 1 111 111 SER CB C 13 61.1845405 0 . . . . . . . 146 SER CB . 53316 1 570 . 1 . 1 111 111 SER N N 15 116.3829321 0.007402465627 . . . . . . . 146 SER N . 53316 1 571 . 1 . 1 114 114 ALA HB1 H 1 1.291885138 0.005537439713 . . . . . . . 149 ALA HB . 53316 1 572 . 1 . 1 114 114 ALA HB2 H 1 1.291885138 0.005537439713 . . . . . . . 149 ALA HB . 53316 1 573 . 1 . 1 114 114 ALA HB3 H 1 1.291885138 0.005537439713 . . . . . . . 149 ALA HB . 53316 1 574 . 1 . 1 114 114 ALA C C 13 181.0902862 0 . . . . . . . 149 ALA C . 53316 1 575 . 1 . 1 114 114 ALA CA C 13 54.96261827 0 . . . . . . . 149 ALA CA . 53316 1 576 . 1 . 1 114 114 ALA CB C 13 18.93165453 0.05240388538 . . . . . . . 149 ALA CB . 53316 1 577 . 1 . 1 115 115 VAL H H 1 6.752721832 0.003766048062 . . . . . . . 150 VAL H . 53316 1 578 . 1 . 1 115 115 VAL HG11 H 1 -0.1316322567 0.002647330344 . . . . . . . 150 VAL HG1 . 53316 1 579 . 1 . 1 115 115 VAL HG12 H 1 -0.1316322567 0.002647330344 . . . . . . . 150 VAL HG1 . 53316 1 580 . 1 . 1 115 115 VAL HG13 H 1 -0.1316322567 0.002647330344 . . . . . . . 150 VAL HG1 . 53316 1 581 . 1 . 1 115 115 VAL HG21 H 1 0.4931104912 0.001849011305 . . . . . . . 150 VAL HG2 . 53316 1 582 . 1 . 1 115 115 VAL HG22 H 1 0.4931104912 0.001849011305 . . . . . . . 150 VAL HG2 . 53316 1 583 . 1 . 1 115 115 VAL HG23 H 1 0.4931104912 0.001849011305 . . . . . . . 150 VAL HG2 . 53316 1 584 . 1 . 1 115 115 VAL C C 13 180.1291563 0 . . . . . . . 150 VAL C . 53316 1 585 . 1 . 1 115 115 VAL CA C 13 64.52380106 0 . . . . . . . 150 VAL CA . 53316 1 586 . 1 . 1 115 115 VAL CB C 13 31.43822939 0 . . . . . . . 150 VAL CB . 53316 1 587 . 1 . 1 115 115 VAL CG1 C 13 21.08143578 0.007948478644 . . . . . . . 150 VAL CG1 . 53316 1 588 . 1 . 1 115 115 VAL CG2 C 13 21.51650097 0.04520815251 . . . . . . . 150 VAL CG2 . 53316 1 589 . 1 . 1 115 115 VAL N N 15 114.2127441 0.005826687846 . . . . . . . 150 VAL N . 53316 1 590 . 1 . 1 116 116 ARG H H 1 7.8906723 0.002762340106 . . . . . . . 151 ARG H . 53316 1 591 . 1 . 1 116 116 ARG C C 13 181.754201 0 . . . . . . . 151 ARG C . 53316 1 592 . 1 . 1 116 116 ARG CA C 13 59.51475209 0 . . . . . . . 151 ARG CA . 53316 1 593 . 1 . 1 116 116 ARG CB C 13 29.72958333 0.01606079834 . . . . . . . 151 ARG CB . 53316 1 594 . 1 . 1 116 116 ARG N N 15 119.2473166 0.005844244912 . . . . . . . 151 ARG N . 53316 1 595 . 1 . 1 117 117 ALA H H 1 7.873148601 0.003613347055 . . . . . . . 152 ALA H . 53316 1 596 . 1 . 1 117 117 ALA HB1 H 1 1.35063446 0.007002046186 . . . . . . . 152 ALA HB . 53316 1 597 . 1 . 1 117 117 ALA HB2 H 1 1.35063446 0.007002046186 . . . . . . . 152 ALA HB . 53316 1 598 . 1 . 1 117 117 ALA HB3 H 1 1.35063446 0.007002046186 . . . . . . . 152 ALA HB . 53316 1 599 . 1 . 1 117 117 ALA C C 13 180.5649969 0 . . . . . . . 152 ALA C . 53316 1 600 . 1 . 1 117 117 ALA CA C 13 54.37215073 0.0580342965 . . . . . . . 152 ALA CA . 53316 1 601 . 1 . 1 117 117 ALA CB C 13 18.68962924 0.03700297366 . . . . . . . 152 ALA CB . 53316 1 602 . 1 . 1 117 117 ALA N N 15 118.1572211 0.01111270797 . . . . . . . 152 ALA N . 53316 1 603 . 1 . 1 118 118 ARG H H 1 7.194400098 0.004668906753 . . . . . . . 153 ARG H . 53316 1 604 . 1 . 1 118 118 ARG C C 13 177.288093 0 . . . . . . . 153 ARG C . 53316 1 605 . 1 . 1 118 118 ARG CA C 13 55.04144423 0.04831531265 . . . . . . . 153 ARG CA . 53316 1 606 . 1 . 1 118 118 ARG CB C 13 33.79881177 0.03221020843 . . . . . . . 153 ARG CB . 53316 1 607 . 1 . 1 118 118 ARG N N 15 112.2949798 0.0170310872 . . . . . . . 153 ARG N . 53316 1 608 . 1 . 1 119 119 LEU H H 1 7.421577646 0.003843373897 . . . . . . . 154 LEU H . 53316 1 609 . 1 . 1 119 119 LEU HD11 H 1 0.6818708826 0.01870755495 . . . . . . . 154 LEU HD1 . 53316 1 610 . 1 . 1 119 119 LEU HD12 H 1 0.6818708826 0.01870755495 . . . . . . . 154 LEU HD1 . 53316 1 611 . 1 . 1 119 119 LEU HD13 H 1 0.6818708826 0.01870755495 . . . . . . . 154 LEU HD1 . 53316 1 612 . 1 . 1 119 119 LEU C C 13 178.2289399 0 . . . . . . . 154 LEU C . 53316 1 613 . 1 . 1 119 119 LEU CA C 13 54.08997752 0.0007406937376 . . . . . . . 154 LEU CA . 53316 1 614 . 1 . 1 119 119 LEU CB C 13 46.26947805 0.02387132372 . . . . . . . 154 LEU CB . 53316 1 615 . 1 . 1 119 119 LEU CD1 C 13 23.18884114 0.04746846256 . . . . . . . 154 LEU CD1 . 53316 1 616 . 1 . 1 119 119 LEU N N 15 122.0383839 0.01879451558 . . . . . . . 154 LEU N . 53316 1 617 . 1 . 1 120 120 ASP H H 1 9.248287142 0.004056879946 . . . . . . . 155 ASP H . 53316 1 618 . 1 . 1 120 120 ASP C C 13 178.2618625 0 . . . . . . . 155 ASP C . 53316 1 619 . 1 . 1 120 120 ASP CA C 13 52.17542094 0 . . . . . . . 155 ASP CA . 53316 1 620 . 1 . 1 120 120 ASP CB C 13 39.90234214 0.005733618835 . . . . . . . 155 ASP CB . 53316 1 621 . 1 . 1 120 120 ASP N N 15 126.8680527 0.01811504673 . . . . . . . 155 ASP N . 53316 1 622 . 1 . 1 121 121 ALA H H 1 8.245295531 0.003366796543 . . . . . . . 156 ALA H . 53316 1 623 . 1 . 1 121 121 ALA HB1 H 1 1.345732287 0.001614409752 . . . . . . . 156 ALA HB . 53316 1 624 . 1 . 1 121 121 ALA HB2 H 1 1.345732287 0.001614409752 . . . . . . . 156 ALA HB . 53316 1 625 . 1 . 1 121 121 ALA HB3 H 1 1.345732287 0.001614409752 . . . . . . . 156 ALA HB . 53316 1 626 . 1 . 1 121 121 ALA C C 13 178.8153279 0 . . . . . . . 156 ALA C . 53316 1 627 . 1 . 1 121 121 ALA CA C 13 53.48616875 0.01553543706 . . . . . . . 156 ALA CA . 53316 1 628 . 1 . 1 121 121 ALA CB C 13 18.54252361 0.06956231902 . . . . . . . 156 ALA CB . 53316 1 629 . 1 . 1 121 121 ALA N N 15 124.1099659 0.002109635369 . . . . . . . 156 ALA N . 53316 1 630 . 1 . 1 122 122 ASN H H 1 8.033340314 0.002694309329 . . . . . . . 157 ASN H . 53316 1 631 . 1 . 1 122 122 ASN C C 13 178.4998797 0 . . . . . . . 157 ASN C . 53316 1 632 . 1 . 1 122 122 ASN CA C 13 53.86796825 0.02298722003 . . . . . . . 157 ASN CA . 53316 1 633 . 1 . 1 122 122 ASN CB C 13 39.59197777 0.01525321584 . . . . . . . 157 ASN CB . 53316 1 634 . 1 . 1 122 122 ASN N N 15 112.5882609 0.009459893437 . . . . . . . 157 ASN N . 53316 1 635 . 1 . 1 123 123 ARG H H 1 7.734937759 0.003927656472 . . . . . . . 158 ARG H . 53316 1 636 . 1 . 1 123 123 ARG C C 13 174.1494682 0 . . . . . . . 158 ARG C . 53316 1 637 . 1 . 1 123 123 ARG CA C 13 55.89052149 0.02029844571 . . . . . . . 158 ARG CA . 53316 1 638 . 1 . 1 123 123 ARG CB C 13 30.92850789 0.02537305712 . . . . . . . 158 ARG CB . 53316 1 639 . 1 . 1 123 123 ARG N N 15 121.9002854 0.003918726793 . . . . . . . 158 ARG N . 53316 1 640 . 1 . 1 124 124 LEU H H 1 8.327807709 0.003762602872 . . . . . . . 159 LEU H . 53316 1 641 . 1 . 1 124 124 LEU C C 13 178.4047262 0 . . . . . . . 159 LEU C . 53316 1 642 . 1 . 1 124 124 LEU CA C 13 52.78511332 0 . . . . . . . 159 LEU CA . 53316 1 643 . 1 . 1 124 124 LEU CB C 13 46.09342225 0 . . . . . . . 159 LEU CB . 53316 1 644 . 1 . 1 124 124 LEU N N 15 121.2486837 0.006220827727 . . . . . . . 159 LEU N . 53316 1 645 . 1 . 1 125 125 ALA H H 1 8.968417649 0.005295735535 . . . . . . . 160 ALA H . 53316 1 646 . 1 . 1 125 125 ALA HB1 H 1 1.27352822 0.004406801531 . . . . . . . 160 ALA HB . 53316 1 647 . 1 . 1 125 125 ALA HB2 H 1 1.27352822 0.004406801531 . . . . . . . 160 ALA HB . 53316 1 648 . 1 . 1 125 125 ALA HB3 H 1 1.27352822 0.004406801531 . . . . . . . 160 ALA HB . 53316 1 649 . 1 . 1 125 125 ALA C C 13 177.658023 0 . . . . . . . 160 ALA C . 53316 1 650 . 1 . 1 125 125 ALA CA C 13 51.24618366 0 . . . . . . . 160 ALA CA . 53316 1 651 . 1 . 1 125 125 ALA CB C 13 25.43227538 0.06795265642 . . . . . . . 160 ALA CB . 53316 1 652 . 1 . 1 125 125 ALA N N 15 122.2922236 0.008041589941 . . . . . . . 160 ALA N . 53316 1 653 . 1 . 1 126 126 VAL H H 1 7.660854554 0.002939558151 . . . . . . . 161 VAL H . 53316 1 654 . 1 . 1 126 126 VAL HG11 H 1 0.9274466433 0.0004897907128 . . . . . . . 161 VAL HG1 . 53316 1 655 . 1 . 1 126 126 VAL HG12 H 1 0.9274466433 0.0004897907128 . . . . . . . 161 VAL HG1 . 53316 1 656 . 1 . 1 126 126 VAL HG13 H 1 0.9274466433 0.0004897907128 . . . . . . . 161 VAL HG1 . 53316 1 657 . 1 . 1 126 126 VAL HG21 H 1 1.015067181 0.01027890153 . . . . . . . 161 VAL HG2 . 53316 1 658 . 1 . 1 126 126 VAL HG22 H 1 1.015067181 0.01027890153 . . . . . . . 161 VAL HG2 . 53316 1 659 . 1 . 1 126 126 VAL HG23 H 1 1.015067181 0.01027890153 . . . . . . . 161 VAL HG2 . 53316 1 660 . 1 . 1 126 126 VAL C C 13 176.9021978 0 . . . . . . . 161 VAL C . 53316 1 661 . 1 . 1 126 126 VAL CA C 13 58.85371271 0.01493296294 . . . . . . . 161 VAL CA . 53316 1 662 . 1 . 1 126 126 VAL CB C 13 37.23821978 0.0413777587 . . . . . . . 161 VAL CB . 53316 1 663 . 1 . 1 126 126 VAL CG1 C 13 19.57027738 0.0008381149645 . . . . . . . 161 VAL CG1 . 53316 1 664 . 1 . 1 126 126 VAL CG2 C 13 23.72276263 0.07750282041 . . . . . . . 161 VAL CG2 . 53316 1 665 . 1 . 1 126 126 VAL N N 15 107.1474043 0.01325250763 . . . . . . . 161 VAL N . 53316 1 666 . 1 . 1 127 127 ALA H H 1 8.476794227 0.003678854624 . . . . . . . 162 ALA H . 53316 1 667 . 1 . 1 127 127 ALA HB1 H 1 1.124915143 0.001679253681 . . . . . . . 162 ALA HB . 53316 1 668 . 1 . 1 127 127 ALA HB2 H 1 1.124915143 0.001679253681 . . . . . . . 162 ALA HB . 53316 1 669 . 1 . 1 127 127 ALA HB3 H 1 1.124915143 0.001679253681 . . . . . . . 162 ALA HB . 53316 1 670 . 1 . 1 127 127 ALA C C 13 178.524511 0 . . . . . . . 162 ALA C . 53316 1 671 . 1 . 1 127 127 ALA CA C 13 51.02965284 0.05368391773 . . . . . . . 162 ALA CA . 53316 1 672 . 1 . 1 127 127 ALA CB C 13 23.12650527 0.07994815818 . . . . . . . 162 ALA CB . 53316 1 673 . 1 . 1 127 127 ALA N N 15 121.4431244 0.009650439678 . . . . . . . 162 ALA N . 53316 1 674 . 1 . 1 128 128 GLY H H 1 7.497863342 0.004183159791 . . . . . . . 163 GLY H . 53316 1 675 . 1 . 1 128 128 GLY C C 13 173.006688 0 . . . . . . . 163 GLY C . 53316 1 676 . 1 . 1 128 128 GLY CA C 13 46.59973981 0.008443368096 . . . . . . . 163 GLY CA . 53316 1 677 . 1 . 1 128 128 GLY N N 15 101.8268627 0.03176474689 . . . . . . . 163 GLY N . 53316 1 678 . 1 . 1 129 129 HIS H H 1 8.24230214 0.003438739553 . . . . . . . 164 HIS H . 53316 1 679 . 1 . 1 129 129 HIS C C 13 179.371051 0 . . . . . . . 164 HIS C . 53316 1 680 . 1 . 1 129 129 HIS CA C 13 53.42510942 0.02730558557 . . . . . . . 164 HIS CA . 53316 1 681 . 1 . 1 129 129 HIS CB C 13 36.60900848 0.04699679033 . . . . . . . 164 HIS CB . 53316 1 682 . 1 . 1 129 129 HIS N N 15 120.7483404 0.009944635738 . . . . . . . 164 HIS N . 53316 1 683 . 1 . 1 130 130 SER H H 1 8.824448708 0.003797156971 . . . . . . . 165 SER H . 53316 1 684 . 1 . 1 130 130 SER CA C 13 58.49965946 0 . . . . . . . 165 SER CA . 53316 1 685 . 1 . 1 130 130 SER N N 15 128.1780691 0.0008165345908 . . . . . . . 165 SER N . 53316 1 686 . 1 . 1 131 131 MET HE1 H 1 0.9903 0 . . . . . . . 166 MET HE . 53316 1 687 . 1 . 1 131 131 MET HE2 H 1 0.9903 0 . . . . . . . 166 MET HE . 53316 1 688 . 1 . 1 131 131 MET HE3 H 1 0.9903 0 . . . . . . . 166 MET HE . 53316 1 689 . 1 . 1 131 131 MET C C 13 181.6371762 0 . . . . . . . 166 MET C . 53316 1 690 . 1 . 1 131 131 MET CA C 13 61.50409054 0 . . . . . . . 166 MET CA . 53316 1 691 . 1 . 1 131 131 MET CE C 13 16.8591 0 . . . . . . . 166 MET CE . 53316 1 692 . 1 . 1 132 132 GLY H H 1 8.86339372 0.003786535683 . . . . . . . 167 GLY H . 53316 1 693 . 1 . 1 132 132 GLY CA C 13 47.92751622 0 . . . . . . . 167 GLY CA . 53316 1 694 . 1 . 1 132 132 GLY N N 15 108.1917652 0.002943664665 . . . . . . . 167 GLY N . 53316 1 695 . 1 . 1 133 133 GLY H H 1 7.514823964 0 . . . . . . . 168 GLY H . 53316 1 696 . 1 . 1 133 133 GLY C C 13 178.3483928 0 . . . . . . . 168 GLY C . 53316 1 697 . 1 . 1 133 133 GLY CA C 13 47.44803368 0 . . . . . . . 168 GLY CA . 53316 1 698 . 1 . 1 133 133 GLY N N 15 112.5370781 0 . . . . . . . 168 GLY N . 53316 1 699 . 1 . 1 134 134 GLY H H 1 8.085678687 0.002853874487 . . . . . . . 169 GLY H . 53316 1 700 . 1 . 1 134 134 GLY C C 13 178.5765789 0 . . . . . . . 169 GLY C . 53316 1 701 . 1 . 1 134 134 GLY CA C 13 48.43464046 0.01538413322 . . . . . . . 169 GLY CA . 53316 1 702 . 1 . 1 134 134 GLY N N 15 111.8090153 0.02478966508 . . . . . . . 169 GLY N . 53316 1 703 . 1 . 1 135 135 GLY H H 1 8.302455552 0.003981491822 . . . . . . . 170 GLY H . 53316 1 704 . 1 . 1 135 135 GLY C C 13 177.2524189 0 . . . . . . . 170 GLY C . 53316 1 705 . 1 . 1 135 135 GLY CA C 13 47.98863673 0 . . . . . . . 170 GLY CA . 53316 1 706 . 1 . 1 135 135 GLY N N 15 107.8151866 0.02406557159 . . . . . . . 170 GLY N . 53316 1 707 . 1 . 1 136 136 THR H H 1 7.207352327 0.002624101289 . . . . . . . 171 THR H . 53316 1 708 . 1 . 1 136 136 THR HG21 H 1 0.7633085247 0.0006391485094 . . . . . . . 171 THR HG2 . 53316 1 709 . 1 . 1 136 136 THR HG22 H 1 0.7633085247 0.0006391485094 . . . . . . . 171 THR HG2 . 53316 1 710 . 1 . 1 136 136 THR HG23 H 1 0.7633085247 0.0006391485094 . . . . . . . 171 THR HG2 . 53316 1 711 . 1 . 1 136 136 THR C C 13 176.9699314 0 . . . . . . . 171 THR C . 53316 1 712 . 1 . 1 136 136 THR CA C 13 66.97603663 0.01906239533 . . . . . . . 171 THR CA . 53316 1 713 . 1 . 1 136 136 THR CB C 13 68.21788692 0.001851821645 . . . . . . . 171 THR CB . 53316 1 714 . 1 . 1 136 136 THR CG2 C 13 22.24319492 0.100188985 . . . . . . . 171 THR CG2 . 53316 1 715 . 1 . 1 136 136 THR N N 15 117.6540416 0.0142976912 . . . . . . . 171 THR N . 53316 1 716 . 1 . 1 137 137 LEU H H 1 6.539365759 0.003267961276 . . . . . . . 172 LEU H . 53316 1 717 . 1 . 1 137 137 LEU HD11 H 1 -0.1611687171 0.004607248442 . . . . . . . 172 LEU HD1 . 53316 1 718 . 1 . 1 137 137 LEU HD12 H 1 -0.1611687171 0.004607248442 . . . . . . . 172 LEU HD1 . 53316 1 719 . 1 . 1 137 137 LEU HD13 H 1 -0.1611687171 0.004607248442 . . . . . . . 172 LEU HD1 . 53316 1 720 . 1 . 1 137 137 LEU HD21 H 1 0.3596945831 0.002113395247 . . . . . . . 172 LEU HD2 . 53316 1 721 . 1 . 1 137 137 LEU HD22 H 1 0.3596945831 0.002113395247 . . . . . . . 172 LEU HD2 . 53316 1 722 . 1 . 1 137 137 LEU HD23 H 1 0.3596945831 0.002113395247 . . . . . . . 172 LEU HD2 . 53316 1 723 . 1 . 1 137 137 LEU C C 13 179.2298312 0 . . . . . . . 172 LEU C . 53316 1 724 . 1 . 1 137 137 LEU CA C 13 58.2905804 0.03626174052 . . . . . . . 172 LEU CA . 53316 1 725 . 1 . 1 137 137 LEU CB C 13 38.96974612 0.003934263387 . . . . . . . 172 LEU CB . 53316 1 726 . 1 . 1 137 137 LEU CD1 C 13 25.90854883 0.07312216902 . . . . . . . 172 LEU CD1 . 53316 1 727 . 1 . 1 137 137 LEU CD2 C 13 23.22424398 0.01552155362 . . . . . . . 172 LEU CD2 . 53316 1 728 . 1 . 1 137 137 LEU N N 15 121.0846098 0.01730780278 . . . . . . . 172 LEU N . 53316 1 729 . 1 . 1 138 138 ARG H H 1 6.981786145 0.003897483378 . . . . . . . 173 ARG H . 53316 1 730 . 1 . 1 138 138 ARG C C 13 181.3308318 0 . . . . . . . 173 ARG C . 53316 1 731 . 1 . 1 138 138 ARG CA C 13 57.68548735 0.01583931951 . . . . . . . 173 ARG CA . 53316 1 732 . 1 . 1 138 138 ARG CB C 13 28.11900326 0.01623875207 . . . . . . . 173 ARG CB . 53316 1 733 . 1 . 1 138 138 ARG N N 15 115.7916691 0.01312736677 . . . . . . . 173 ARG N . 53316 1 734 . 1 . 1 139 139 ILE H H 1 8.49359157 0.003269224826 . . . . . . . 174 ILE H . 53316 1 735 . 1 . 1 139 139 ILE HG21 H 1 1.042791548 0.002175770715 . . . . . . . 174 ILE HG2 . 53316 1 736 . 1 . 1 139 139 ILE HG22 H 1 1.042791548 0.002175770715 . . . . . . . 174 ILE HG2 . 53316 1 737 . 1 . 1 139 139 ILE HG23 H 1 1.042791548 0.002175770715 . . . . . . . 174 ILE HG2 . 53316 1 738 . 1 . 1 139 139 ILE HD11 H 1 0.8455183467 0.006582164806 . . . . . . . 174 ILE HD1 . 53316 1 739 . 1 . 1 139 139 ILE HD12 H 1 0.8455183467 0.006582164806 . . . . . . . 174 ILE HD1 . 53316 1 740 . 1 . 1 139 139 ILE HD13 H 1 0.8455183467 0.006582164806 . . . . . . . 174 ILE HD1 . 53316 1 741 . 1 . 1 139 139 ILE C C 13 179.0823151 0 . . . . . . . 174 ILE C . 53316 1 742 . 1 . 1 139 139 ILE CA C 13 63.66356282 0.01858098116 . . . . . . . 174 ILE CA . 53316 1 743 . 1 . 1 139 139 ILE CB C 13 36.82641892 0.02752040956 . . . . . . . 174 ILE CB . 53316 1 744 . 1 . 1 139 139 ILE CG2 C 13 19.06071927 0.04702172683 . . . . . . . 174 ILE CG2 . 53316 1 745 . 1 . 1 139 139 ILE CD1 C 13 13.96279832 0.04387503615 . . . . . . . 174 ILE CD1 . 53316 1 746 . 1 . 1 139 139 ILE N N 15 118.999594 0.03525555585 . . . . . . . 174 ILE N . 53316 1 747 . 1 . 1 140 140 ALA H H 1 7.473444188 0.003975513038 . . . . . . . 175 ALA H . 53316 1 748 . 1 . 1 140 140 ALA HB1 H 1 1.164275236 0.0009637275841 . . . . . . . 175 ALA HB . 53316 1 749 . 1 . 1 140 140 ALA HB2 H 1 1.164275236 0.0009637275841 . . . . . . . 175 ALA HB . 53316 1 750 . 1 . 1 140 140 ALA HB3 H 1 1.164275236 0.0009637275841 . . . . . . . 175 ALA HB . 53316 1 751 . 1 . 1 140 140 ALA C C 13 183.0940261 0 . . . . . . . 175 ALA C . 53316 1 752 . 1 . 1 140 140 ALA CA C 13 54.96733074 0.01518057275 . . . . . . . 175 ALA CA . 53316 1 753 . 1 . 1 140 140 ALA CB C 13 16.28507178 0.03271398209 . . . . . . . 175 ALA CB . 53316 1 754 . 1 . 1 140 140 ALA N N 15 124.6433996 0.000362077372 . . . . . . . 175 ALA N . 53316 1 755 . 1 . 1 141 141 GLU H H 1 7.564962959 0.00533927149 . . . . . . . 176 GLU H . 53316 1 756 . 1 . 1 141 141 GLU C C 13 179.815841 0 . . . . . . . 176 GLU C . 53316 1 757 . 1 . 1 141 141 GLU CA C 13 59.16963152 0.01590433544 . . . . . . . 176 GLU CA . 53316 1 758 . 1 . 1 141 141 GLU CB C 13 31.38475751 0.03180867088 . . . . . . . 176 GLU CB . 53316 1 759 . 1 . 1 141 141 GLU N N 15 118.9692127 0.01430686603 . . . . . . . 176 GLU N . 53316 1 760 . 1 . 1 142 142 GLN H H 1 7.582077415 0.00293924095 . . . . . . . 177 GLN H . 53316 1 761 . 1 . 1 142 142 GLN C C 13 179.1363634 0 . . . . . . . 177 GLN C . 53316 1 762 . 1 . 1 142 142 GLN CA C 13 57.31602829 0.03479337222 . . . . . . . 177 GLN CA . 53316 1 763 . 1 . 1 142 142 GLN CB C 13 29.75996279 0.00677708882 . . . . . . . 177 GLN CB . 53316 1 764 . 1 . 1 142 142 GLN N N 15 116.3038315 0.0006511591579 . . . . . . . 177 GLN N . 53316 1 765 . 1 . 1 143 143 ASN H H 1 8.10896302 0.005905665276 . . . . . . . 178 ASN H . 53316 1 766 . 1 . 1 143 143 ASN CA C 13 50.20629597 0 . . . . . . . 178 ASN CA . 53316 1 767 . 1 . 1 143 143 ASN CB C 13 38.46442333 0 . . . . . . . 178 ASN CB . 53316 1 768 . 1 . 1 143 143 ASN N N 15 115.9002965 0.004885181024 . . . . . . . 178 ASN N . 53316 1 769 . 1 . 1 144 144 PRO C C 13 179.1961654 0 . . . . . . . 179 PRO C . 53316 1 770 . 1 . 1 144 144 PRO CA C 13 63.19498235 0 . . . . . . . 179 PRO CA . 53316 1 771 . 1 . 1 144 144 PRO CB C 13 31.82272291 0 . . . . . . . 179 PRO CB . 53316 1 772 . 1 . 1 145 145 SER H H 1 7.699464714 0.004744496803 . . . . . . . 180 SER H . 53316 1 773 . 1 . 1 145 145 SER C C 13 178.6629297 0 . . . . . . . 180 SER C . 53316 1 774 . 1 . 1 145 145 SER CA C 13 59.53512694 0.02844850523 . . . . . . . 180 SER CA . 53316 1 775 . 1 . 1 145 145 SER CB C 13 63.8109953 0.01724548868 . . . . . . . 180 SER CB . 53316 1 776 . 1 . 1 145 145 SER N N 15 112.673464 0.01190291004 . . . . . . . 180 SER N . 53316 1 777 . 1 . 1 146 146 LEU H H 1 7.241090074 0.003369267676 . . . . . . . 181 LEU H . 53316 1 778 . 1 . 1 146 146 LEU C C 13 178.8196455 0 . . . . . . . 181 LEU C . 53316 1 779 . 1 . 1 146 146 LEU CA C 13 55.62498452 0.003541296574 . . . . . . . 181 LEU CA . 53316 1 780 . 1 . 1 146 146 LEU CB C 13 43.47326229 0.03831404118 . . . . . . . 181 LEU CB . 53316 1 781 . 1 . 1 146 146 LEU N N 15 123.5539311 0.005589316349 . . . . . . . 181 LEU N . 53316 1 782 . 1 . 1 147 147 LYS H H 1 9.375585589 0.003694885722 . . . . . . . 182 LYS H . 53316 1 783 . 1 . 1 147 147 LYS C C 13 179.207039 0 . . . . . . . 182 LYS C . 53316 1 784 . 1 . 1 147 147 LYS CA C 13 55.45446858 0.02887244499 . . . . . . . 182 LYS CA . 53316 1 785 . 1 . 1 147 147 LYS CB C 13 33.40913479 0.0353394243 . . . . . . . 182 LYS CB . 53316 1 786 . 1 . 1 147 147 LYS N N 15 115.1080274 0.01629649934 . . . . . . . 182 LYS N . 53316 1 787 . 1 . 1 148 148 ALA H H 1 7.02629805 0.002771193286 . . . . . . . 183 ALA H . 53316 1 788 . 1 . 1 148 148 ALA HB1 H 1 1.312168499 0.0054388783 . . . . . . . 183 ALA HB . 53316 1 789 . 1 . 1 148 148 ALA HB2 H 1 1.312168499 0.0054388783 . . . . . . . 183 ALA HB . 53316 1 790 . 1 . 1 148 148 ALA HB3 H 1 1.312168499 0.0054388783 . . . . . . . 183 ALA HB . 53316 1 791 . 1 . 1 148 148 ALA C C 13 178.3089793 0 . . . . . . . 183 ALA C . 53316 1 792 . 1 . 1 148 148 ALA CA C 13 51.78750517 0 . . . . . . . 183 ALA CA . 53316 1 793 . 1 . 1 148 148 ALA CB C 13 23.49182888 0.07054701035 . . . . . . . 183 ALA CB . 53316 1 794 . 1 . 1 148 148 ALA N N 15 112.0500091 0.02222796093 . . . . . . . 183 ALA N . 53316 1 795 . 1 . 1 149 149 ALA H H 1 8.431173407 0.003775288601 . . . . . . . 184 ALA H . 53316 1 796 . 1 . 1 149 149 ALA HB1 H 1 0.9123676959 0.0001860903674 . . . . . . . 184 ALA HB . 53316 1 797 . 1 . 1 149 149 ALA HB2 H 1 0.9123676959 0.0001860903674 . . . . . . . 184 ALA HB . 53316 1 798 . 1 . 1 149 149 ALA HB3 H 1 0.9123676959 0.0001860903674 . . . . . . . 184 ALA HB . 53316 1 799 . 1 . 1 149 149 ALA C C 13 179.5217963 0 . . . . . . . 184 ALA C . 53316 1 800 . 1 . 1 149 149 ALA CA C 13 50.63784649 0.03989361808 . . . . . . . 184 ALA CA . 53316 1 801 . 1 . 1 149 149 ALA CB C 13 22.04508794 0.0846669111 . . . . . . . 184 ALA CB . 53316 1 802 . 1 . 1 149 149 ALA N N 15 119.9002668 0.006330082654 . . . . . . . 184 ALA N . 53316 1 803 . 1 . 1 150 150 VAL H H 1 8.042475147 0.004351995542 . . . . . . . 185 VAL H . 53316 1 804 . 1 . 1 150 150 VAL CA C 13 59.92091929 0 . . . . . . . 185 VAL CA . 53316 1 805 . 1 . 1 150 150 VAL CB C 13 34.50820293 0 . . . . . . . 185 VAL CB . 53316 1 806 . 1 . 1 150 150 VAL N N 15 118.6571067 0.011190033 . . . . . . . 185 VAL N . 53316 1 807 . 1 . 1 151 151 PRO C C 13 177.5347459 0 . . . . . . . 186 PRO C . 53316 1 808 . 1 . 1 151 151 PRO CA C 13 60.88660339 0 . . . . . . . 186 PRO CA . 53316 1 809 . 1 . 1 151 151 PRO CB C 13 31.72735308 0 . . . . . . . 186 PRO CB . 53316 1 810 . 1 . 1 152 152 LEU H H 1 9.334153448 0.003649229256 . . . . . . . 187 LEU H . 53316 1 811 . 1 . 1 152 152 LEU C C 13 178.7471434 0 . . . . . . . 187 LEU C . 53316 1 812 . 1 . 1 152 152 LEU CA C 13 54.82383395 0 . . . . . . . 187 LEU CA . 53316 1 813 . 1 . 1 152 152 LEU CB C 13 44.43508439 0 . . . . . . . 187 LEU CB . 53316 1 814 . 1 . 1 152 152 LEU N N 15 125.4663894 0.001731847351 . . . . . . . 187 LEU N . 53316 1 815 . 1 . 1 153 153 THR H H 1 9.735343833 0.003929298127 . . . . . . . 188 THR H . 53316 1 816 . 1 . 1 153 153 THR CA C 13 60.1857692 0 . . . . . . . 188 THR CA . 53316 1 817 . 1 . 1 153 153 THR CB C 13 69.70320429 0 . . . . . . . 188 THR CB . 53316 1 818 . 1 . 1 153 153 THR N N 15 114.5861517 0.009724956167 . . . . . . . 188 THR N . 53316 1 819 . 1 . 1 154 154 PRO C C 13 175.3207 0 . . . . . . . 189 PRO C . 53316 1 820 . 1 . 1 154 154 PRO CA C 13 62.5297291 0 . . . . . . . 189 PRO CA . 53316 1 821 . 1 . 1 154 154 PRO CB C 13 33.60147486 0 . . . . . . . 189 PRO CB . 53316 1 822 . 1 . 1 155 155 TRP H H 1 6.779762094 0.003955900999 . . . . . . . 190 TRP H . 53316 1 823 . 1 . 1 155 155 TRP C C 13 177.9487 0 . . . . . . . 190 TRP C . 53316 1 824 . 1 . 1 155 155 TRP CA C 13 56.01006544 0.03233564694 . . . . . . . 190 TRP CA . 53316 1 825 . 1 . 1 155 155 TRP CB C 13 35.76261201 0.03768502382 . . . . . . . 190 TRP CB . 53316 1 826 . 1 . 1 155 155 TRP N N 15 119.8920754 0.004542320034 . . . . . . . 190 TRP N . 53316 1 827 . 1 . 1 156 156 HIS H H 1 9.103318494 0.00325667451 . . . . . . . 191 HIS H . 53316 1 828 . 1 . 1 156 156 HIS C C 13 177.642902 0 . . . . . . . 191 HIS C . 53316 1 829 . 1 . 1 156 156 HIS CA C 13 59.18936484 0.000179030605 . . . . . . . 191 HIS CA . 53316 1 830 . 1 . 1 156 156 HIS CB C 13 33.50721105 0.02833270123 . . . . . . . 191 HIS CB . 53316 1 831 . 1 . 1 156 156 HIS N N 15 128.3644972 0.02181212891 . . . . . . . 191 HIS N . 53316 1 832 . 1 . 1 157 157 THR H H 1 9.767522745 0.005075336989 . . . . . . . 192 THR H . 53316 1 833 . 1 . 1 157 157 THR HG21 H 1 1.154038686 0.003924837593 . . . . . . . 192 THR HG2 . 53316 1 834 . 1 . 1 157 157 THR HG22 H 1 1.154038686 0.003924837593 . . . . . . . 192 THR HG2 . 53316 1 835 . 1 . 1 157 157 THR HG23 H 1 1.154038686 0.003924837593 . . . . . . . 192 THR HG2 . 53316 1 836 . 1 . 1 157 157 THR C C 13 178.8673387 0 . . . . . . . 192 THR C . 53316 1 837 . 1 . 1 157 157 THR CA C 13 64.20136483 0.03058468429 . . . . . . . 192 THR CA . 53316 1 838 . 1 . 1 157 157 THR CB C 13 69.01908603 0 . . . . . . . 192 THR CB . 53316 1 839 . 1 . 1 157 157 THR CG2 C 13 23.09291843 0.02625458313 . . . . . . . 192 THR CG2 . 53316 1 840 . 1 . 1 157 157 THR N N 15 118.57918 0.001783020067 . . . . . . . 192 THR N . 53316 1 841 . 1 . 1 158 158 ASP H H 1 8.966288398 0.004460151316 . . . . . . . 193 ASP H . 53316 1 842 . 1 . 1 158 158 ASP C C 13 177.897993 0 . . . . . . . 193 ASP C . 53316 1 843 . 1 . 1 158 158 ASP CA C 13 54.16259905 0.005927516702 . . . . . . . 193 ASP CA . 53316 1 844 . 1 . 1 158 158 ASP CB C 13 41.11086171 0.00301349491 . . . . . . . 193 ASP CB . 53316 1 845 . 1 . 1 158 158 ASP N N 15 128.3962922 0.008335010737 . . . . . . . 193 ASP N . 53316 1 846 . 1 . 1 159 159 LYS H H 1 7.657952284 0.002874596367 . . . . . . . 194 LYS H . 53316 1 847 . 1 . 1 159 159 LYS C C 13 179.989739 0 . . . . . . . 194 LYS C . 53316 1 848 . 1 . 1 159 159 LYS CA C 13 54.3948469 0.04534811837 . . . . . . . 194 LYS CA . 53316 1 849 . 1 . 1 159 159 LYS CB C 13 33.21727562 0 . . . . . . . 194 LYS CB . 53316 1 850 . 1 . 1 159 159 LYS N N 15 111.7616649 0.02679489631 . . . . . . . 194 LYS N . 53316 1 851 . 1 . 1 160 160 THR H H 1 6.931078516 0.004637249563 . . . . . . . 195 THR H . 53316 1 852 . 1 . 1 160 160 THR HG21 H 1 0.8942947885 0.002984170967 . . . . . . . 195 THR HG2 . 53316 1 853 . 1 . 1 160 160 THR HG22 H 1 0.8942947885 0.002984170967 . . . . . . . 195 THR HG2 . 53316 1 854 . 1 . 1 160 160 THR HG23 H 1 0.8942947885 0.002984170967 . . . . . . . 195 THR HG2 . 53316 1 855 . 1 . 1 160 160 THR C C 13 174.3267193 0 . . . . . . . 195 THR C . 53316 1 856 . 1 . 1 160 160 THR CA C 13 61.80501287 0 . . . . . . . 195 THR CA . 53316 1 857 . 1 . 1 160 160 THR CB C 13 69.98893111 0 . . . . . . . 195 THR CB . 53316 1 858 . 1 . 1 160 160 THR CG2 C 13 21.30454774 0.05540429005 . . . . . . . 195 THR CG2 . 53316 1 859 . 1 . 1 160 160 THR N N 15 115.186611 0.005974309025 . . . . . . . 195 THR N . 53316 1 860 . 1 . 1 161 161 PHE H H 1 7.940464776 0.006089612251 . . . . . . . 196 PHE H . 53316 1 861 . 1 . 1 161 161 PHE C C 13 177.186199 0 . . . . . . . 196 PHE C . 53316 1 862 . 1 . 1 161 161 PHE CA C 13 56.54982728 0 . . . . . . . 196 PHE CA . 53316 1 863 . 1 . 1 161 161 PHE CB C 13 40.42998832 0.05904702913 . . . . . . . 196 PHE CB . 53316 1 864 . 1 . 1 161 161 PHE N N 15 125.5038056 0.007850922227 . . . . . . . 196 PHE N . 53316 1 865 . 1 . 1 162 162 ASN H H 1 9.812304141 0.004367168372 . . . . . . . 197 ASN H . 53316 1 866 . 1 . 1 162 162 ASN C C 13 176.4516508 0 . . . . . . . 197 ASN C . 53316 1 867 . 1 . 1 162 162 ASN CA C 13 52.18034712 0 . . . . . . . 197 ASN CA . 53316 1 868 . 1 . 1 162 162 ASN CB C 13 38.21572473 0.02952351457 . . . . . . . 197 ASN CB . 53316 1 869 . 1 . 1 162 162 ASN N N 15 124.3900476 0.006572302441 . . . . . . . 197 ASN N . 53316 1 870 . 1 . 1 163 163 THR H H 1 6.632980713 0.002619468194 . . . . . . . 198 THR H . 53316 1 871 . 1 . 1 163 163 THR HG21 H 1 0.890603747 0 . . . . . . . 198 THR HG2 . 53316 1 872 . 1 . 1 163 163 THR HG22 H 1 0.890603747 0 . . . . . . . 198 THR HG2 . 53316 1 873 . 1 . 1 163 163 THR HG23 H 1 0.890603747 0 . . . . . . . 198 THR HG2 . 53316 1 874 . 1 . 1 163 163 THR C C 13 174.4703494 0 . . . . . . . 198 THR C . 53316 1 875 . 1 . 1 163 163 THR CA C 13 58.96103327 0.08098258049 . . . . . . . 198 THR CA . 53316 1 876 . 1 . 1 163 163 THR CB C 13 70.2235895 0 . . . . . . . 198 THR CB . 53316 1 877 . 1 . 1 163 163 THR CG2 C 13 18.48563528 0.06705638466 . . . . . . . 198 THR CG2 . 53316 1 878 . 1 . 1 163 163 THR N N 15 113.738682 0.005518247041 . . . . . . . 198 THR N . 53316 1 879 . 1 . 1 164 164 SER H H 1 8.227116335 0.004064134182 . . . . . . . 199 SER H . 53316 1 880 . 1 . 1 164 164 SER C C 13 175.7552288 0 . . . . . . . 199 SER C . 53316 1 881 . 1 . 1 164 164 SER CA C 13 58.45770971 0.0208936728 . . . . . . . 199 SER CA . 53316 1 882 . 1 . 1 164 164 SER CB C 13 64.10395964 0.0120127449 . . . . . . . 199 SER CB . 53316 1 883 . 1 . 1 164 164 SER N N 15 122.0519302 0.02058152168 . . . . . . . 199 SER N . 53316 1 884 . 1 . 1 165 165 VAL H H 1 8.244255094 0.004568555502 . . . . . . . 200 VAL H . 53316 1 885 . 1 . 1 165 165 VAL CA C 13 60.59261676 0 . . . . . . . 200 VAL CA . 53316 1 886 . 1 . 1 165 165 VAL CB C 13 33.67417975 0 . . . . . . . 200 VAL CB . 53316 1 887 . 1 . 1 165 165 VAL N N 15 130.4832884 0.001387632507 . . . . . . . 200 VAL N . 53316 1 888 . 1 . 1 166 166 PRO C C 13 180.9671807 0 . . . . . . . 201 PRO C . 53316 1 889 . 1 . 1 166 166 PRO CA C 13 63.58550267 0 . . . . . . . 201 PRO CA . 53316 1 890 . 1 . 1 166 166 PRO CB C 13 31.83739829 0 . . . . . . . 201 PRO CB . 53316 1 891 . 1 . 1 167 167 VAL H H 1 8.233958109 0.003343475988 . . . . . . . 202 VAL H . 53316 1 892 . 1 . 1 167 167 VAL HG11 H 1 0.6659835895 0.0006197895346 . . . . . . . 202 VAL HG1 . 53316 1 893 . 1 . 1 167 167 VAL HG12 H 1 0.6659835895 0.0006197895346 . . . . . . . 202 VAL HG1 . 53316 1 894 . 1 . 1 167 167 VAL HG13 H 1 0.6659835895 0.0006197895346 . . . . . . . 202 VAL HG1 . 53316 1 895 . 1 . 1 167 167 VAL HG21 H 1 0.8780238111 0.0006987440934 . . . . . . . 202 VAL HG2 . 53316 1 896 . 1 . 1 167 167 VAL HG22 H 1 0.8780238111 0.0006987440934 . . . . . . . 202 VAL HG2 . 53316 1 897 . 1 . 1 167 167 VAL HG23 H 1 0.8780238111 0.0006987440934 . . . . . . . 202 VAL HG2 . 53316 1 898 . 1 . 1 167 167 VAL C C 13 175.5099711 0 . . . . . . . 202 VAL C . 53316 1 899 . 1 . 1 167 167 VAL CA C 13 61.54112254 0.02098023134 . . . . . . . 202 VAL CA . 53316 1 900 . 1 . 1 167 167 VAL CB C 13 36.30403306 0.002128815715 . . . . . . . 202 VAL CB . 53316 1 901 . 1 . 1 167 167 VAL CG1 C 13 23.75382071 0.003987190839 . . . . . . . 202 VAL CG1 . 53316 1 902 . 1 . 1 167 167 VAL CG2 C 13 23.87742022 0.001555675401 . . . . . . . 202 VAL CG2 . 53316 1 903 . 1 . 1 167 167 VAL N N 15 128.96717 0.006219833769 . . . . . . . 202 VAL N . 53316 1 904 . 1 . 1 168 168 LEU H H 1 7.453222341 0.003851327357 . . . . . . . 203 LEU H . 53316 1 905 . 1 . 1 168 168 LEU HD11 H 1 0.3236930607 0 . . . . . . . 203 LEU HD1 . 53316 1 906 . 1 . 1 168 168 LEU HD12 H 1 0.3236930607 0 . . . . . . . 203 LEU HD1 . 53316 1 907 . 1 . 1 168 168 LEU HD13 H 1 0.3236930607 0 . . . . . . . 203 LEU HD1 . 53316 1 908 . 1 . 1 168 168 LEU HD21 H 1 0.3343807844 0.006200708978 . . . . . . . 203 LEU HD2 . 53316 1 909 . 1 . 1 168 168 LEU HD22 H 1 0.3343807844 0.006200708978 . . . . . . . 203 LEU HD2 . 53316 1 910 . 1 . 1 168 168 LEU HD23 H 1 0.3343807844 0.006200708978 . . . . . . . 203 LEU HD2 . 53316 1 911 . 1 . 1 168 168 LEU C C 13 176.8450662 0 . . . . . . . 203 LEU C . 53316 1 912 . 1 . 1 168 168 LEU CA C 13 53.42840516 0.005976517499 . . . . . . . 203 LEU CA . 53316 1 913 . 1 . 1 168 168 LEU CB C 13 41.35600448 0.04649995841 . . . . . . . 203 LEU CB . 53316 1 914 . 1 . 1 168 168 LEU CD1 C 13 26.0482438 0 . . . . . . . 203 LEU CD1 . 53316 1 915 . 1 . 1 168 168 LEU CD2 C 13 27.09437162 0.06262422026 . . . . . . . 203 LEU CD2 . 53316 1 916 . 1 . 1 168 168 LEU N N 15 130.5384202 0.008269922753 . . . . . . . 203 LEU N . 53316 1 917 . 1 . 1 169 169 ILE H H 1 8.738776808 0.00256465096 . . . . . . . 204 ILE H . 53316 1 918 . 1 . 1 169 169 ILE HG21 H 1 1.04091296 0 . . . . . . . 204 ILE HG2 . 53316 1 919 . 1 . 1 169 169 ILE HG22 H 1 1.04091296 0 . . . . . . . 204 ILE HG2 . 53316 1 920 . 1 . 1 169 169 ILE HG23 H 1 1.04091296 0 . . . . . . . 204 ILE HG2 . 53316 1 921 . 1 . 1 169 169 ILE HD11 H 1 1.051768639 0.004902490345 . . . . . . . 204 ILE HD1 . 53316 1 922 . 1 . 1 169 169 ILE HD12 H 1 1.051768639 0.004902490345 . . . . . . . 204 ILE HD1 . 53316 1 923 . 1 . 1 169 169 ILE HD13 H 1 1.051768639 0.004902490345 . . . . . . . 204 ILE HD1 . 53316 1 924 . 1 . 1 169 169 ILE C C 13 177.2100504 0 . . . . . . . 204 ILE C . 53316 1 925 . 1 . 1 169 169 ILE CA C 13 60.02910798 0.01097849533 . . . . . . . 204 ILE CA . 53316 1 926 . 1 . 1 169 169 ILE CB C 13 41.80392741 0 . . . . . . . 204 ILE CB . 53316 1 927 . 1 . 1 169 169 ILE CG2 C 13 20.36755124 1.047483241 . . . . . . . 204 ILE CG2 . 53316 1 928 . 1 . 1 169 169 ILE CD1 C 13 15.32783579 0.02313390463 . . . . . . . 204 ILE CD1 . 53316 1 929 . 1 . 1 169 169 ILE N N 15 123.3635931 0.01121066327 . . . . . . . 204 ILE N . 53316 1 930 . 1 . 1 170 170 VAL H H 1 7.839649115 0.003057339867 . . . . . . . 205 VAL H . 53316 1 931 . 1 . 1 170 170 VAL HG11 H 1 0.5473694795 0.004188839683 . . . . . . . 205 VAL HG1 . 53316 1 932 . 1 . 1 170 170 VAL HG12 H 1 0.5473694795 0.004188839683 . . . . . . . 205 VAL HG1 . 53316 1 933 . 1 . 1 170 170 VAL HG13 H 1 0.5473694795 0.004188839683 . . . . . . . 205 VAL HG1 . 53316 1 934 . 1 . 1 170 170 VAL HG21 H 1 0.7115158823 0.0004065612922 . . . . . . . 205 VAL HG2 . 53316 1 935 . 1 . 1 170 170 VAL HG22 H 1 0.7115158823 0.0004065612922 . . . . . . . 205 VAL HG2 . 53316 1 936 . 1 . 1 170 170 VAL HG23 H 1 0.7115158823 0.0004065612922 . . . . . . . 205 VAL HG2 . 53316 1 937 . 1 . 1 170 170 VAL C C 13 178.4123513 0 . . . . . . . 205 VAL C . 53316 1 938 . 1 . 1 170 170 VAL CA C 13 60.31293354 0.03489969684 . . . . . . . 205 VAL CA . 53316 1 939 . 1 . 1 170 170 VAL CB C 13 33.64956515 0.03489969684 . . . . . . . 205 VAL CB . 53316 1 940 . 1 . 1 170 170 VAL CG1 C 13 20.3746042 0.00894581164 . . . . . . . 205 VAL CG1 . 53316 1 941 . 1 . 1 170 170 VAL CG2 C 13 20.90767554 0.02022470085 . . . . . . . 205 VAL CG2 . 53316 1 942 . 1 . 1 170 170 VAL N N 15 125.0576017 0.005609946508 . . . . . . . 205 VAL N . 53316 1 943 . 1 . 1 171 171 GLY H H 1 9.579055496 0.003465879012 . . . . . . . 206 GLY H . 53316 1 944 . 1 . 1 171 171 GLY C C 13 174.1398894 0 . . . . . . . 206 GLY C . 53316 1 945 . 1 . 1 171 171 GLY CA C 13 42.70980706 0 . . . . . . . 206 GLY CA . 53316 1 946 . 1 . 1 171 171 GLY N N 15 116.1419409 0.01314503698 . . . . . . . 206 GLY N . 53316 1 947 . 1 . 1 172 172 ALA H H 1 8.697704684 0.003052779072 . . . . . . . 207 ALA H . 53316 1 948 . 1 . 1 172 172 ALA HB1 H 1 1.16793129 0.005210066589 . . . . . . . 207 ALA HB . 53316 1 949 . 1 . 1 172 172 ALA HB2 H 1 1.16793129 0.005210066589 . . . . . . . 207 ALA HB . 53316 1 950 . 1 . 1 172 172 ALA HB3 H 1 1.16793129 0.005210066589 . . . . . . . 207 ALA HB . 53316 1 951 . 1 . 1 172 172 ALA C C 13 178.5817786 0 . . . . . . . 207 ALA C . 53316 1 952 . 1 . 1 172 172 ALA CA C 13 51.14368601 0 . . . . . . . 207 ALA CA . 53316 1 953 . 1 . 1 172 172 ALA CB C 13 21.48514195 0.05706643071 . . . . . . . 207 ALA CB . 53316 1 954 . 1 . 1 172 172 ALA N N 15 125.2738313 0.01680895203 . . . . . . . 207 ALA N . 53316 1 955 . 1 . 1 173 173 GLU H H 1 8.233857353 0.00516762025 . . . . . . . 208 GLU H . 53316 1 956 . 1 . 1 173 173 GLU C C 13 179.2281982 0 . . . . . . . 208 GLU C . 53316 1 957 . 1 . 1 173 173 GLU CA C 13 60.19565643 0.007569258078 . . . . . . . 208 GLU CA . 53316 1 958 . 1 . 1 173 173 GLU CB C 13 32.09700303 0.01965285999 . . . . . . . 208 GLU CB . 53316 1 959 . 1 . 1 173 173 GLU N N 15 123.4160084 0.006976244502 . . . . . . . 208 GLU N . 53316 1 960 . 1 . 1 174 174 ALA H H 1 8.301241915 0.003162646597 . . . . . . . 209 ALA H . 53316 1 961 . 1 . 1 174 174 ALA HB1 H 1 1.121567834 0.005619093492 . . . . . . . 209 ALA HB . 53316 1 962 . 1 . 1 174 174 ALA HB2 H 1 1.121567834 0.005619093492 . . . . . . . 209 ALA HB . 53316 1 963 . 1 . 1 174 174 ALA HB3 H 1 1.121567834 0.005619093492 . . . . . . . 209 ALA HB . 53316 1 964 . 1 . 1 174 174 ALA C C 13 179.4643645 0 . . . . . . . 209 ALA C . 53316 1 965 . 1 . 1 174 174 ALA CA C 13 50.60065824 0.02303417511 . . . . . . . 209 ALA CA . 53316 1 966 . 1 . 1 174 174 ALA CB C 13 17.69296918 0.0597026964 . . . . . . . 209 ALA CB . 53316 1 967 . 1 . 1 174 174 ALA N N 15 119.3043008 0.0074828441 . . . . . . . 209 ALA N . 53316 1 968 . 1 . 1 175 175 ASP H H 1 7.318409526 0.002684337016 . . . . . . . 210 ASP H . 53316 1 969 . 1 . 1 175 175 ASP C C 13 180.9945473 0 . . . . . . . 210 ASP C . 53316 1 970 . 1 . 1 175 175 ASP CA C 13 55.34909167 0 . . . . . . . 210 ASP CA . 53316 1 971 . 1 . 1 175 175 ASP CB C 13 42.48322625 0 . . . . . . . 210 ASP CB . 53316 1 972 . 1 . 1 175 175 ASP N N 15 119.4146768 0.0002941895916 . . . . . . . 210 ASP N . 53316 1 973 . 1 . 1 176 176 THR H H 1 8.514487037 0.002454865745 . . . . . . . 211 THR H . 53316 1 974 . 1 . 1 176 176 THR HG21 H 1 1.262419578 0.0002891507307 . . . . . . . 211 THR HG2 . 53316 1 975 . 1 . 1 176 176 THR HG22 H 1 1.262419578 0.0002891507307 . . . . . . . 211 THR HG2 . 53316 1 976 . 1 . 1 176 176 THR HG23 H 1 1.262419578 0.0002891507307 . . . . . . . 211 THR HG2 . 53316 1 977 . 1 . 1 176 176 THR C C 13 177.6101757 0 . . . . . . . 211 THR C . 53316 1 978 . 1 . 1 176 176 THR CA C 13 61.86358785 0.04854464526 . . . . . . . 211 THR CA . 53316 1 979 . 1 . 1 176 176 THR CB C 13 69.63073109 0 . . . . . . . 211 THR CB . 53316 1 980 . 1 . 1 176 176 THR CG2 C 13 21.87263523 0.07758733273 . . . . . . . 211 THR CG2 . 53316 1 981 . 1 . 1 176 176 THR N N 15 117.6757906 0.02647314142 . . . . . . . 211 THR N . 53316 1 982 . 1 . 1 177 177 VAL H H 1 8.8876884 0.00606190741 . . . . . . . 212 VAL H . 53316 1 983 . 1 . 1 177 177 VAL HG11 H 1 0.2401498151 0.004872283466 . . . . . . . 212 VAL HG1 . 53316 1 984 . 1 . 1 177 177 VAL HG12 H 1 0.2401498151 0.004872283466 . . . . . . . 212 VAL HG1 . 53316 1 985 . 1 . 1 177 177 VAL HG13 H 1 0.2401498151 0.004872283466 . . . . . . . 212 VAL HG1 . 53316 1 986 . 1 . 1 177 177 VAL HG21 H 1 0.7088975956 0.005559205688 . . . . . . . 212 VAL HG2 . 53316 1 987 . 1 . 1 177 177 VAL HG22 H 1 0.7088975956 0.005559205688 . . . . . . . 212 VAL HG2 . 53316 1 988 . 1 . 1 177 177 VAL HG23 H 1 0.7088975956 0.005559205688 . . . . . . . 212 VAL HG2 . 53316 1 989 . 1 . 1 177 177 VAL C C 13 178.1630766 0 . . . . . . . 212 VAL C . 53316 1 990 . 1 . 1 177 177 VAL CA C 13 64.55822652 0.01975286672 . . . . . . . 212 VAL CA . 53316 1 991 . 1 . 1 177 177 VAL CB C 13 32.59808816 0.01975286673 . . . . . . . 212 VAL CB . 53316 1 992 . 1 . 1 177 177 VAL CG1 C 13 20.31820654 0.05939166033 . . . . . . . 212 VAL CG1 . 53316 1 993 . 1 . 1 177 177 VAL CG2 C 13 21.54109769 0.03714255851 . . . . . . . 212 VAL CG2 . 53316 1 994 . 1 . 1 177 177 VAL N N 15 128.1226177 0.005384914744 . . . . . . . 212 VAL N . 53316 1 995 . 1 . 1 178 178 ALA H H 1 9.101598276 0.003865923315 . . . . . . . 213 ALA H . 53316 1 996 . 1 . 1 178 178 ALA CA C 13 47.8546496 0 . . . . . . . 213 ALA CA . 53316 1 997 . 1 . 1 178 178 ALA CB C 13 20.38191232 0 . . . . . . . 213 ALA CB . 53316 1 998 . 1 . 1 178 178 ALA N N 15 124.3320794 0.006298844222 . . . . . . . 213 ALA N . 53316 1 999 . 1 . 1 179 179 PRO C C 13 183.3451214 0 . . . . . . . 214 PRO C . 53316 1 1000 . 1 . 1 179 179 PRO CA C 13 63.52253763 0 . . . . . . . 214 PRO CA . 53316 1 1001 . 1 . 1 179 179 PRO CB C 13 31.66006483 0 . . . . . . . 214 PRO CB . 53316 1 1002 . 1 . 1 180 180 VAL H H 1 8.889206879 0.003945076403 . . . . . . . 215 VAL H . 53316 1 1003 . 1 . 1 180 180 VAL HG11 H 1 1.05200936 0.0006289016572 . . . . . . . 215 VAL HG1 . 53316 1 1004 . 1 . 1 180 180 VAL HG12 H 1 1.05200936 0.0006289016572 . . . . . . . 215 VAL HG1 . 53316 1 1005 . 1 . 1 180 180 VAL HG13 H 1 1.05200936 0.0006289016572 . . . . . . . 215 VAL HG1 . 53316 1 1006 . 1 . 1 180 180 VAL HG21 H 1 1.268601127 0.002977367276 . . . . . . . 215 VAL HG2 . 53316 1 1007 . 1 . 1 180 180 VAL HG22 H 1 1.268601127 0.002977367276 . . . . . . . 215 VAL HG2 . 53316 1 1008 . 1 . 1 180 180 VAL HG23 H 1 1.268601127 0.002977367276 . . . . . . . 215 VAL HG2 . 53316 1 1009 . 1 . 1 180 180 VAL C C 13 180.3260322 0 . . . . . . . 215 VAL C . 53316 1 1010 . 1 . 1 180 180 VAL CA C 13 66.41982569 0.01639776803 . . . . . . . 215 VAL CA . 53316 1 1011 . 1 . 1 180 180 VAL CB C 13 31.3571914 0.009671797133 . . . . . . . 215 VAL CB . 53316 1 1012 . 1 . 1 180 180 VAL CG1 C 13 18.16212155 0.03252461549 . . . . . . . 215 VAL CG1 . 53316 1 1013 . 1 . 1 180 180 VAL CG2 C 13 24.59878052 0.0662222535 . . . . . . . 215 VAL CG2 . 53316 1 1014 . 1 . 1 180 180 VAL N N 15 120.4259262 0.01222487799 . . . . . . . 215 VAL N . 53316 1 1015 . 1 . 1 181 181 SER H H 1 8.345270421 0.004114602975 . . . . . . . 216 SER H . 53316 1 1016 . 1 . 1 181 181 SER C C 13 177.253302 0 . . . . . . . 216 SER C . 53316 1 1017 . 1 . 1 181 181 SER CA C 13 60.53302696 0.03279553607 . . . . . . . 216 SER CA . 53316 1 1018 . 1 . 1 181 181 SER CB C 13 62.99269217 0 . . . . . . . 216 SER CB . 53316 1 1019 . 1 . 1 181 181 SER N N 15 112.3782934 0.009590689288 . . . . . . . 216 SER N . 53316 1 1020 . 1 . 1 182 182 GLN H H 1 7.389008746 0.004351692176 . . . . . . . 217 GLN H . 53316 1 1021 . 1 . 1 182 182 GLN C C 13 178.1092768 0 . . . . . . . 217 GLN C . 53316 1 1022 . 1 . 1 182 182 GLN CA C 13 55.59127773 0 . . . . . . . 217 GLN CA . 53316 1 1023 . 1 . 1 182 182 GLN CB C 13 32.18495845 0.02668907558 . . . . . . . 217 GLN CB . 53316 1 1024 . 1 . 1 182 182 GLN N N 15 116.5659909 0.0123289451 . . . . . . . 217 GLN N . 53316 1 1025 . 1 . 1 183 183 HIS H H 1 7.356704769 0.0046773937 . . . . . . . 218 HIS H . 53316 1 1026 . 1 . 1 183 183 HIS C C 13 174.3123 0 . . . . . . . 218 HIS C . 53316 1 1027 . 1 . 1 183 183 HIS CA C 13 57.01609545 0.01287088907 . . . . . . . 218 HIS CA . 53316 1 1028 . 1 . 1 183 183 HIS CB C 13 32.80028991 0.01853408027 . . . . . . . 218 HIS CB . 53316 1 1029 . 1 . 1 183 183 HIS N N 15 121.5093514 0.0111351705 . . . . . . . 218 HIS N . 53316 1 1030 . 1 . 1 184 184 ALA H H 1 7.10450508 0.003350735088 . . . . . . . 219 ALA H . 53316 1 1031 . 1 . 1 184 184 ALA HB1 H 1 1.615642967 0.00545970999 . . . . . . . 219 ALA HB . 53316 1 1032 . 1 . 1 184 184 ALA HB2 H 1 1.615642967 0.00545970999 . . . . . . . 219 ALA HB . 53316 1 1033 . 1 . 1 184 184 ALA HB3 H 1 1.615642967 0.00545970999 . . . . . . . 219 ALA HB . 53316 1 1034 . 1 . 1 184 184 ALA C C 13 179.1991204 0 . . . . . . . 219 ALA C . 53316 1 1035 . 1 . 1 184 184 ALA CA C 13 58.2522842 0 . . . . . . . 219 ALA CA . 53316 1 1036 . 1 . 1 184 184 ALA CB C 13 20.54712755 0.02482848096 . . . . . . . 219 ALA CB . 53316 1 1037 . 1 . 1 184 184 ALA N N 15 118.1512691 0.004564243433 . . . . . . . 219 ALA N . 53316 1 1038 . 1 . 1 185 185 ILE H H 1 8.708255072 0.005919192923 . . . . . . . 220 ILE H . 53316 1 1039 . 1 . 1 185 185 ILE HD11 H 1 0.5088797813 0 . . . . . . . 220 ILE HD1 . 53316 1 1040 . 1 . 1 185 185 ILE HD12 H 1 0.5088797813 0 . . . . . . . 220 ILE HD1 . 53316 1 1041 . 1 . 1 185 185 ILE HD13 H 1 0.5088797813 0 . . . . . . . 220 ILE HD1 . 53316 1 1042 . 1 . 1 185 185 ILE CA C 13 67.38765241 0 . . . . . . . 220 ILE CA . 53316 1 1043 . 1 . 1 185 185 ILE CB C 13 34.51247594 0 . . . . . . . 220 ILE CB . 53316 1 1044 . 1 . 1 185 185 ILE CD1 C 13 13.71423942 0 . . . . . . . 220 ILE CD1 . 53316 1 1045 . 1 . 1 185 185 ILE N N 15 112.7180038 0.008727621147 . . . . . . . 220 ILE N . 53316 1 1046 . 1 . 1 186 186 PRO C C 13 180.9543287 0 . . . . . . . 221 PRO C . 53316 1 1047 . 1 . 1 186 186 PRO CA C 13 66.71643313 0 . . . . . . . 221 PRO CA . 53316 1 1048 . 1 . 1 186 186 PRO CB C 13 30.2825727 0 . . . . . . . 221 PRO CB . 53316 1 1049 . 1 . 1 187 187 PHE H H 1 8.023509855 0.003767649676 . . . . . . . 222 PHE H . 53316 1 1050 . 1 . 1 187 187 PHE C C 13 181.3584612 0 . . . . . . . 222 PHE C . 53316 1 1051 . 1 . 1 187 187 PHE CA C 13 57.47466908 0.01522234827 . . . . . . . 222 PHE CA . 53316 1 1052 . 1 . 1 187 187 PHE CB C 13 37.84709501 0 . . . . . . . 222 PHE CB . 53316 1 1053 . 1 . 1 187 187 PHE N N 15 113.6653035 0.008516537513 . . . . . . . 222 PHE N . 53316 1 1054 . 1 . 1 188 188 TYR H H 1 8.101490754 0.002822961566 . . . . . . . 223 TYR H . 53316 1 1055 . 1 . 1 188 188 TYR C C 13 180.6734082 0 . . . . . . . 223 TYR C . 53316 1 1056 . 1 . 1 188 188 TYR CA C 13 62.44476579 0.02378491917 . . . . . . . 223 TYR CA . 53316 1 1057 . 1 . 1 188 188 TYR CB C 13 38.65984663 0.02378491917 . . . . . . . 223 TYR CB . 53316 1 1058 . 1 . 1 188 188 TYR N N 15 118.4483713 0.003635254383 . . . . . . . 223 TYR N . 53316 1 1059 . 1 . 1 189 189 GLN H H 1 9.251075852 0.003173738027 . . . . . . . 224 GLN H . 53316 1 1060 . 1 . 1 189 189 GLN C C 13 179.959541 0 . . . . . . . 224 GLN C . 53316 1 1061 . 1 . 1 189 189 GLN CA C 13 58.66846941 0.01720552601 . . . . . . . 224 GLN CA . 53316 1 1062 . 1 . 1 189 189 GLN CB C 13 29.35025308 0.01720552602 . . . . . . . 224 GLN CB . 53316 1 1063 . 1 . 1 189 189 GLN N N 15 119.683646 0.01993322052 . . . . . . . 224 GLN N . 53316 1 1064 . 1 . 1 190 190 ASN H H 1 8.18110532 0.003386987119 . . . . . . . 225 ASN H . 53316 1 1065 . 1 . 1 190 190 ASN C C 13 178.5295336 0 . . . . . . . 225 ASN C . 53316 1 1066 . 1 . 1 190 190 ASN CA C 13 53.50812451 0.04110068064 . . . . . . . 225 ASN CA . 53316 1 1067 . 1 . 1 190 190 ASN CB C 13 39.43937031 0.005603638389 . . . . . . . 225 ASN CB . 53316 1 1068 . 1 . 1 190 190 ASN N N 15 114.0027956 0.01888566842 . . . . . . . 225 ASN N . 53316 1 1069 . 1 . 1 191 191 LEU H H 1 6.900564613 0.004556627882 . . . . . . . 226 LEU H . 53316 1 1070 . 1 . 1 191 191 LEU CA C 13 54.21976559 0 . . . . . . . 226 LEU CA . 53316 1 1071 . 1 . 1 191 191 LEU CB C 13 42.82110461 0 . . . . . . . 226 LEU CB . 53316 1 1072 . 1 . 1 191 191 LEU N N 15 122.184692 0.01227599097 . . . . . . . 226 LEU N . 53316 1 1073 . 1 . 1 194 194 THR HG21 H 1 1.128570169 0.003376941161 . . . . . . . 229 THR HG2 . 53316 1 1074 . 1 . 1 194 194 THR HG22 H 1 1.128570169 0.003376941161 . . . . . . . 229 THR HG2 . 53316 1 1075 . 1 . 1 194 194 THR HG23 H 1 1.128570169 0.003376941161 . . . . . . . 229 THR HG2 . 53316 1 1076 . 1 . 1 194 194 THR CG2 C 13 22.23950232 0.01038227975 . . . . . . . 229 THR CG2 . 53316 1 1077 . 1 . 1 195 195 THR H H 1 7.557498429 0.00146124135 . . . . . . . 230 THR H . 53316 1 1078 . 1 . 1 195 195 THR CA C 13 61.52309014 0 . . . . . . . 230 THR CA . 53316 1 1079 . 1 . 1 195 195 THR CB C 13 71.16918726 0 . . . . . . . 230 THR CB . 53316 1 1080 . 1 . 1 195 195 THR N N 15 123.3418306 0.00200804818 . . . . . . . 230 THR N . 53316 1 1081 . 1 . 1 196 196 PRO C C 13 177.5684753 0 . . . . . . . 231 PRO C . 53316 1 1082 . 1 . 1 196 196 PRO CA C 13 64.46893233 0 . . . . . . . 231 PRO CA . 53316 1 1083 . 1 . 1 196 196 PRO CB C 13 32.25152153 0 . . . . . . . 231 PRO CB . 53316 1 1084 . 1 . 1 197 197 LYS H H 1 8.504359639 0.003827213075 . . . . . . . 232 LYS H . 53316 1 1085 . 1 . 1 197 197 LYS C C 13 178.7142841 0 . . . . . . . 232 LYS C . 53316 1 1086 . 1 . 1 197 197 LYS CA C 13 54.32104374 0.07046711259 . . . . . . . 232 LYS CA . 53316 1 1087 . 1 . 1 197 197 LYS CB C 13 35.99959446 0 . . . . . . . 232 LYS CB . 53316 1 1088 . 1 . 1 197 197 LYS N N 15 122.049415 0.02171345735 . . . . . . . 232 LYS N . 53316 1 1089 . 1 . 1 198 198 VAL H H 1 8.470371387 0.005645324319 . . . . . . . 233 VAL H . 53316 1 1090 . 1 . 1 198 198 VAL HG11 H 1 0.3805538164 0.00512372207 . . . . . . . 233 VAL HG1 . 53316 1 1091 . 1 . 1 198 198 VAL HG12 H 1 0.3805538164 0.00512372207 . . . . . . . 233 VAL HG1 . 53316 1 1092 . 1 . 1 198 198 VAL HG13 H 1 0.3805538164 0.00512372207 . . . . . . . 233 VAL HG1 . 53316 1 1093 . 1 . 1 198 198 VAL HG21 H 1 0.7577504006 0.005634653103 . . . . . . . 233 VAL HG2 . 53316 1 1094 . 1 . 1 198 198 VAL HG22 H 1 0.7577504006 0.005634653103 . . . . . . . 233 VAL HG2 . 53316 1 1095 . 1 . 1 198 198 VAL HG23 H 1 0.7577504006 0.005634653103 . . . . . . . 233 VAL HG2 . 53316 1 1096 . 1 . 1 198 198 VAL C C 13 175.2450468 0 . . . . . . . 233 VAL C . 53316 1 1097 . 1 . 1 198 198 VAL CA C 13 60.83925165 0.0352335563 . . . . . . . 233 VAL CA . 53316 1 1098 . 1 . 1 198 198 VAL CB C 13 37.37370316 0.03523355629 . . . . . . . 233 VAL CB . 53316 1 1099 . 1 . 1 198 198 VAL CG1 C 13 23.13126256 0.06167571597 . . . . . . . 233 VAL CG1 . 53316 1 1100 . 1 . 1 198 198 VAL CG2 C 13 24.76994087 0.1213409127 . . . . . . . 233 VAL CG2 . 53316 1 1101 . 1 . 1 198 198 VAL N N 15 124.0924348 0.01039793473 . . . . . . . 233 VAL N . 53316 1 1102 . 1 . 1 199 199 TYR H H 1 9.006129029 0.004087407987 . . . . . . . 234 TYR H . 53316 1 1103 . 1 . 1 199 199 TYR C C 13 176.061338 0 . . . . . . . 234 TYR C . 53316 1 1104 . 1 . 1 199 199 TYR CA C 13 55.87132021 0 . . . . . . . 234 TYR CA . 53316 1 1105 . 1 . 1 199 199 TYR CB C 13 41.41851542 0.07751382385 . . . . . . . 234 TYR CB . 53316 1 1106 . 1 . 1 199 199 TYR N N 15 127.8632824 0.02283261766 . . . . . . . 234 TYR N . 53316 1 1107 . 1 . 1 200 200 VAL H H 1 7.984481637 0.004398406212 . . . . . . . 235 VAL H . 53316 1 1108 . 1 . 1 200 200 VAL HG11 H 1 0.2553655486 0.002467304134 . . . . . . . 235 VAL HG1 . 53316 1 1109 . 1 . 1 200 200 VAL HG12 H 1 0.2553655486 0.002467304134 . . . . . . . 235 VAL HG1 . 53316 1 1110 . 1 . 1 200 200 VAL HG13 H 1 0.2553655486 0.002467304134 . . . . . . . 235 VAL HG1 . 53316 1 1111 . 1 . 1 200 200 VAL HG21 H 1 0.3663237384 0.007188693953 . . . . . . . 235 VAL HG2 . 53316 1 1112 . 1 . 1 200 200 VAL HG22 H 1 0.3663237384 0.007188693953 . . . . . . . 235 VAL HG2 . 53316 1 1113 . 1 . 1 200 200 VAL HG23 H 1 0.3663237384 0.007188693953 . . . . . . . 235 VAL HG2 . 53316 1 1114 . 1 . 1 200 200 VAL C C 13 174.5818103 0 . . . . . . . 235 VAL C . 53316 1 1115 . 1 . 1 200 200 VAL CA C 13 58.61953761 0.02818684504 . . . . . . . 235 VAL CA . 53316 1 1116 . 1 . 1 200 200 VAL CB C 13 33.87148766 0.02818684503 . . . . . . . 235 VAL CB . 53316 1 1117 . 1 . 1 200 200 VAL CG1 C 13 21.87489726 0.06898148595 . . . . . . . 235 VAL CG1 . 53316 1 1118 . 1 . 1 200 200 VAL CG2 C 13 20.30118896 0.003356105046 . . . . . . . 235 VAL CG2 . 53316 1 1119 . 1 . 1 200 200 VAL N N 15 120.4861176 0.01765012735 . . . . . . . 235 VAL N . 53316 1 1120 . 1 . 1 201 201 GLU H H 1 7.500194899 0.003322576629 . . . . . . . 236 GLU H . 53316 1 1121 . 1 . 1 201 201 GLU C C 13 178.5612295 0 . . . . . . . 236 GLU C . 53316 1 1122 . 1 . 1 201 201 GLU CA C 13 53.71502657 0.02818684504 . . . . . . . 236 GLU CA . 53316 1 1123 . 1 . 1 201 201 GLU CB C 13 34.85802724 0 . . . . . . . 236 GLU CB . 53316 1 1124 . 1 . 1 201 201 GLU N N 15 123.3752112 0.01603909647 . . . . . . . 236 GLU N . 53316 1 1125 . 1 . 1 202 202 LEU H H 1 8.83474293 0.003705305199 . . . . . . . 237 LEU H . 53316 1 1126 . 1 . 1 202 202 LEU C C 13 180.3611995 0 . . . . . . . 237 LEU C . 53316 1 1127 . 1 . 1 202 202 LEU CA C 13 54.82202526 0.007711729783 . . . . . . . 237 LEU CA . 53316 1 1128 . 1 . 1 202 202 LEU CB C 13 42.90707522 0.01238970022 . . . . . . . 237 LEU CB . 53316 1 1129 . 1 . 1 202 202 LEU N N 15 127.6680208 0.02061864269 . . . . . . . 237 LEU N . 53316 1 1130 . 1 . 1 203 203 CYS H H 1 8.543777869 0.005287138691 . . . . . . . 238 CYS H . 53316 1 1131 . 1 . 1 203 203 CYS C C 13 179.0901431 0 . . . . . . . 238 CYS C . 53316 1 1132 . 1 . 1 203 203 CYS CA C 13 55.1575924 0 . . . . . . . 238 CYS CA . 53316 1 1133 . 1 . 1 203 203 CYS CB C 13 40.3692833 0.01665854685 . . . . . . . 238 CYS CB . 53316 1 1134 . 1 . 1 203 203 CYS N N 15 123.4485154 0.01329064862 . . . . . . . 238 CYS N . 53316 1 1135 . 1 . 1 204 204 ASN H H 1 10.70774382 0.003765325306 . . . . . . . 239 ASN H . 53316 1 1136 . 1 . 1 204 204 ASN C C 13 176.0164978 0 . . . . . . . 239 ASN C . 53316 1 1137 . 1 . 1 204 204 ASN CA C 13 55.21653453 0.007833242616 . . . . . . . 239 ASN CA . 53316 1 1138 . 1 . 1 204 204 ASN CB C 13 38.44923134 0 . . . . . . . 239 ASN CB . 53316 1 1139 . 1 . 1 204 204 ASN N N 15 119.4271749 0.01400119103 . . . . . . . 239 ASN N . 53316 1 1140 . 1 . 1 205 205 ALA H H 1 6.809063648 0.00537876886 . . . . . . . 240 ALA H . 53316 1 1141 . 1 . 1 205 205 ALA HB1 H 1 1.319657034 0.001002486128 . . . . . . . 240 ALA HB . 53316 1 1142 . 1 . 1 205 205 ALA HB2 H 1 1.319657034 0.001002486128 . . . . . . . 240 ALA HB . 53316 1 1143 . 1 . 1 205 205 ALA HB3 H 1 1.319657034 0.001002486128 . . . . . . . 240 ALA HB . 53316 1 1144 . 1 . 1 205 205 ALA C C 13 177.6804261 0 . . . . . . . 240 ALA C . 53316 1 1145 . 1 . 1 205 205 ALA CA C 13 51.70252864 0.03132094071 . . . . . . . 240 ALA CA . 53316 1 1146 . 1 . 1 205 205 ALA CB C 13 22.29081235 0.07585226233 . . . . . . . 240 ALA CB . 53316 1 1147 . 1 . 1 205 205 ALA N N 15 120.4512391 0.009125966611 . . . . . . . 240 ALA N . 53316 1 1148 . 1 . 1 206 206 SER H H 1 8.36666934 0.003064464049 . . . . . . . 241 SER H . 53316 1 1149 . 1 . 1 206 206 SER CA C 13 56.3027918 0 . . . . . . . 241 SER CA . 53316 1 1150 . 1 . 1 206 206 SER CB C 13 66.41684558 0 . . . . . . . 241 SER CB . 53316 1 1151 . 1 . 1 206 206 SER N N 15 116.1136714 0.0003308274073 . . . . . . . 241 SER N . 53316 1 1152 . 1 . 1 207 207 HIS C C 13 177.2439537 0 . . . . . . . 242 HIS C . 53316 1 1153 . 1 . 1 208 208 ILE H H 1 7.081907601 0.002312279321 . . . . . . . 243 ILE H . 53316 1 1154 . 1 . 1 208 208 ILE HG21 H 1 1.032364932 0.0002707328473 . . . . . . . 243 ILE HG2 . 53316 1 1155 . 1 . 1 208 208 ILE HG22 H 1 1.032364932 0.0002707328473 . . . . . . . 243 ILE HG2 . 53316 1 1156 . 1 . 1 208 208 ILE HG23 H 1 1.032364932 0.0002707328473 . . . . . . . 243 ILE HG2 . 53316 1 1157 . 1 . 1 208 208 ILE HD11 H 1 0.8277067376 0.002300308481 . . . . . . . 243 ILE HD1 . 53316 1 1158 . 1 . 1 208 208 ILE HD12 H 1 0.8277067376 0.002300308481 . . . . . . . 243 ILE HD1 . 53316 1 1159 . 1 . 1 208 208 ILE HD13 H 1 0.8277067376 0.002300308481 . . . . . . . 243 ILE HD1 . 53316 1 1160 . 1 . 1 208 208 ILE C C 13 180.9063143 0 . . . . . . . 243 ILE C . 53316 1 1161 . 1 . 1 208 208 ILE CA C 13 60.41736293 0.07247139401 . . . . . . . 243 ILE CA . 53316 1 1162 . 1 . 1 208 208 ILE CB C 13 37.91499509 0.03623569701 . . . . . . . 243 ILE CB . 53316 1 1163 . 1 . 1 208 208 ILE CG2 C 13 18.52125932 0.04255241437 . . . . . . . 243 ILE CG2 . 53316 1 1164 . 1 . 1 208 208 ILE CD1 C 13 14.30720546 0.07414376654 . . . . . . . 243 ILE CD1 . 53316 1 1165 . 1 . 1 208 208 ILE N N 15 101.3984873 0.02176905772 . . . . . . . 243 ILE N . 53316 1 1166 . 1 . 1 209 209 ALA H H 1 7.794078027 0.004149683873 . . . . . . . 244 ALA H . 53316 1 1167 . 1 . 1 209 209 ALA HB1 H 1 1.437483448 0 . . . . . . . 244 ALA HB . 53316 1 1168 . 1 . 1 209 209 ALA HB2 H 1 1.437483448 0 . . . . . . . 244 ALA HB . 53316 1 1169 . 1 . 1 209 209 ALA HB3 H 1 1.437483448 0 . . . . . . . 244 ALA HB . 53316 1 1170 . 1 . 1 209 209 ALA CA C 13 56.16226765 0 . . . . . . . 244 ALA CA . 53316 1 1171 . 1 . 1 209 209 ALA CB C 13 16.44520543 0.02730953706 . . . . . . . 244 ALA CB . 53316 1 1172 . 1 . 1 209 209 ALA N N 15 129.2522025 0.0002375166044 . . . . . . . 244 ALA N . 53316 1 1173 . 1 . 1 210 210 PRO C C 13 177.5600671 0 . . . . . . . 245 PRO C . 53316 1 1174 . 1 . 1 210 210 PRO CA C 13 64.5669 0 . . . . . . . 245 PRO CA . 53316 1 1175 . 1 . 1 210 210 PRO CB C 13 31.1150 0 . . . . . . . 245 PRO CB . 53316 1 1176 . 1 . 1 211 211 ASN H H 1 7.86428549 0.002511307097 . . . . . . . 246 ASN H . 53316 1 1177 . 1 . 1 211 211 ASN C C 13 176.1711317 0 . . . . . . . 246 ASN C . 53316 1 1178 . 1 . 1 211 211 ASN CA C 13 53.74167235 0.02244796922 . . . . . . . 246 ASN CA . 53316 1 1179 . 1 . 1 211 211 ASN CB C 13 40.11575503 0 . . . . . . . 246 ASN CB . 53316 1 1180 . 1 . 1 211 211 ASN N N 15 112.2187422 0.0008398671358 . . . . . . . 246 ASN N . 53316 1 1181 . 1 . 1 212 212 SER H H 1 7.592069265 0.003433042633 . . . . . . . 247 SER H . 53316 1 1182 . 1 . 1 212 212 SER CA C 13 56.82826811 0 . . . . . . . 247 SER CA . 53316 1 1183 . 1 . 1 212 212 SER CB C 13 65.50814955 0 . . . . . . . 247 SER CB . 53316 1 1184 . 1 . 1 212 212 SER N N 15 114.036588 0.001318322894 . . . . . . . 247 SER N . 53316 1 1185 . 1 . 1 213 213 ASN C C 13 177.3773467 0 . . . . . . . 248 ASN C . 53316 1 1186 . 1 . 1 213 213 ASN CA C 13 54.62771738 0 . . . . . . . 248 ASN CA . 53316 1 1187 . 1 . 1 213 213 ASN CB C 13 38.78008543 0 . . . . . . . 248 ASN CB . 53316 1 1188 . 1 . 1 214 214 ASN H H 1 5.533110459 0.002331839686 . . . . . . . 249 ASN H . 53316 1 1189 . 1 . 1 214 214 ASN CA C 13 53.74611175 0 . . . . . . . 249 ASN CA . 53316 1 1190 . 1 . 1 214 214 ASN CB C 13 41.20081725 0 . . . . . . . 249 ASN CB . 53316 1 1191 . 1 . 1 214 214 ASN N N 15 125.3022178 0.001244288816 . . . . . . . 249 ASN N . 53316 1 1192 . 1 . 1 215 215 ALA HB1 H 1 1.372498243 0.0004796406468 . . . . . . . 250 ALA HB . 53316 1 1193 . 1 . 1 215 215 ALA HB2 H 1 1.372498243 0.0004796406468 . . . . . . . 250 ALA HB . 53316 1 1194 . 1 . 1 215 215 ALA HB3 H 1 1.372498243 0.0004796406468 . . . . . . . 250 ALA HB . 53316 1 1195 . 1 . 1 215 215 ALA C C 13 180.7889709 0 . . . . . . . 250 ALA C . 53316 1 1196 . 1 . 1 215 215 ALA CA C 13 55.96777973 0 . . . . . . . 250 ALA CA . 53316 1 1197 . 1 . 1 215 215 ALA CB C 13 18.55284925 0.04839383942 . . . . . . . 250 ALA CB . 53316 1 1198 . 1 . 1 216 216 ALA H H 1 7.91803114 0.002430484059 . . . . . . . 251 ALA H . 53316 1 1199 . 1 . 1 216 216 ALA HB1 H 1 1.410763259 0.0004583049102 . . . . . . . 251 ALA HB . 53316 1 1200 . 1 . 1 216 216 ALA HB2 H 1 1.410763259 0.0004583049102 . . . . . . . 251 ALA HB . 53316 1 1201 . 1 . 1 216 216 ALA HB3 H 1 1.410763259 0.0004583049102 . . . . . . . 251 ALA HB . 53316 1 1202 . 1 . 1 216 216 ALA C C 13 182.3514788 0 . . . . . . . 251 ALA C . 53316 1 1203 . 1 . 1 216 216 ALA CA C 13 55.54335427 0.006031015114 . . . . . . . 251 ALA CA . 53316 1 1204 . 1 . 1 216 216 ALA CB C 13 18.19916905 0.05088488712 . . . . . . . 251 ALA CB . 53316 1 1205 . 1 . 1 216 216 ALA N N 15 119.658527 0.009315656892 . . . . . . . 251 ALA N . 53316 1 1206 . 1 . 1 217 217 ILE H H 1 8.822084789 0.003892997285 . . . . . . . 252 ILE H . 53316 1 1207 . 1 . 1 217 217 ILE HG21 H 1 0.933782736 0.0006057669377 . . . . . . . 252 ILE HG2 . 53316 1 1208 . 1 . 1 217 217 ILE HG22 H 1 0.933782736 0.0006057669377 . . . . . . . 252 ILE HG2 . 53316 1 1209 . 1 . 1 217 217 ILE HG23 H 1 0.933782736 0.0006057669377 . . . . . . . 252 ILE HG2 . 53316 1 1210 . 1 . 1 217 217 ILE HD11 H 1 0.728652146 0 . . . . . . . 252 ILE HD1 . 53316 1 1211 . 1 . 1 217 217 ILE HD12 H 1 0.728652146 0 . . . . . . . 252 ILE HD1 . 53316 1 1212 . 1 . 1 217 217 ILE HD13 H 1 0.728652146 0 . . . . . . . 252 ILE HD1 . 53316 1 1213 . 1 . 1 217 217 ILE C C 13 181.3029538 0 . . . . . . . 252 ILE C . 53316 1 1214 . 1 . 1 217 217 ILE CA C 13 67.23922134 0.07178122499 . . . . . . . 252 ILE CA . 53316 1 1215 . 1 . 1 217 217 ILE CB C 13 37.92245923 0.04882970665 . . . . . . . 252 ILE CB . 53316 1 1216 . 1 . 1 217 217 ILE CG2 C 13 17.66037764 0.08583592063 . . . . . . . 252 ILE CG2 . 53316 1 1217 . 1 . 1 217 217 ILE CD1 C 13 13.46156467 0 . . . . . . . 252 ILE CD1 . 53316 1 1218 . 1 . 1 217 217 ILE N N 15 116.2034358 0.01608707906 . . . . . . . 252 ILE N . 53316 1 1219 . 1 . 1 218 218 SER H H 1 8.129838224 0.00309735417 . . . . . . . 253 SER H . 53316 1 1220 . 1 . 1 218 218 SER C C 13 177.6433957 0 . . . . . . . 253 SER C . 53316 1 1221 . 1 . 1 218 218 SER CA C 13 63.2104429 0.01851347092 . . . . . . . 253 SER CA . 53316 1 1222 . 1 . 1 218 218 SER CB C 13 64.42748933 0.0429456157 . . . . . . . 253 SER CB . 53316 1 1223 . 1 . 1 218 218 SER N N 15 114.3585288 0.01639087297 . . . . . . . 253 SER N . 53316 1 1224 . 1 . 1 219 219 VAL H H 1 8.185715603 0.002537019617 . . . . . . . 254 VAL H . 53316 1 1225 . 1 . 1 219 219 VAL HG11 H 1 0.07166697993 0.001580211844 . . . . . . . 254 VAL HG1 . 53316 1 1226 . 1 . 1 219 219 VAL HG12 H 1 0.07166697993 0.001580211844 . . . . . . . 254 VAL HG1 . 53316 1 1227 . 1 . 1 219 219 VAL HG13 H 1 0.07166697993 0.001580211844 . . . . . . . 254 VAL HG1 . 53316 1 1228 . 1 . 1 219 219 VAL C C 13 182.435772 0 . . . . . . . 254 VAL C . 53316 1 1229 . 1 . 1 219 219 VAL CA C 13 67.03847194 0.002833948618 . . . . . . . 254 VAL CA . 53316 1 1230 . 1 . 1 219 219 VAL CB C 13 32.32899105 0.006617964924 . . . . . . . 254 VAL CB . 53316 1 1231 . 1 . 1 219 219 VAL CG1 C 13 19.50422989 0.01032030259 . . . . . . . 254 VAL CG1 . 53316 1 1232 . 1 . 1 219 219 VAL N N 15 118.0043737 0.01895612943 . . . . . . . 254 VAL N . 53316 1 1233 . 1 . 1 220 220 TYR H H 1 8.135578305 0.002619857756 . . . . . . . 255 TYR H . 53316 1 1234 . 1 . 1 220 220 TYR C C 13 179.8518115 0 . . . . . . . 255 TYR C . 53316 1 1235 . 1 . 1 220 220 TYR CA C 13 64.52422705 0.04845883397 . . . . . . . 255 TYR CA . 53316 1 1236 . 1 . 1 220 220 TYR CB C 13 37.7224617 0.009145062658 . . . . . . . 255 TYR CB . 53316 1 1237 . 1 . 1 220 220 TYR N N 15 117.458123 0.003027973775 . . . . . . . 255 TYR N . 53316 1 1238 . 1 . 1 221 221 THR H H 1 8.199006502 0.002907432764 . . . . . . . 256 THR H . 53316 1 1239 . 1 . 1 221 221 THR HG21 H 1 0.9488023016 0.003118840772 . . . . . . . 256 THR HG2 . 53316 1 1240 . 1 . 1 221 221 THR HG22 H 1 0.9488023016 0.003118840772 . . . . . . . 256 THR HG2 . 53316 1 1241 . 1 . 1 221 221 THR HG23 H 1 0.9488023016 0.003118840772 . . . . . . . 256 THR HG2 . 53316 1 1242 . 1 . 1 221 221 THR C C 13 179.4643645 0 . . . . . . . 256 THR C . 53316 1 1243 . 1 . 1 221 221 THR CA C 13 68.65590971 0.00342277512 . . . . . . . 256 THR CA . 53316 1 1244 . 1 . 1 221 221 THR CB C 13 67.73695003 0 . . . . . . . 256 THR CB . 53316 1 1245 . 1 . 1 221 221 THR CG2 C 13 21.71786906 0.03849706283 . . . . . . . 256 THR CG2 . 53316 1 1246 . 1 . 1 221 221 THR N N 15 114.7278428 0.003661326484 . . . . . . . 256 THR N . 53316 1 1247 . 1 . 1 222 222 ILE H H 1 8.282432827 0.002138135046 . . . . . . . 257 ILE H . 53316 1 1248 . 1 . 1 222 222 ILE HG21 H 1 0.495506041 0.006480886916 . . . . . . . 257 ILE HG2 . 53316 1 1249 . 1 . 1 222 222 ILE HG22 H 1 0.495506041 0.006480886916 . . . . . . . 257 ILE HG2 . 53316 1 1250 . 1 . 1 222 222 ILE HG23 H 1 0.495506041 0.006480886916 . . . . . . . 257 ILE HG2 . 53316 1 1251 . 1 . 1 222 222 ILE HD11 H 1 0.1929735765 0 . . . . . . . 257 ILE HD1 . 53316 1 1252 . 1 . 1 222 222 ILE HD12 H 1 0.1929735765 0 . . . . . . . 257 ILE HD1 . 53316 1 1253 . 1 . 1 222 222 ILE HD13 H 1 0.1929735765 0 . . . . . . . 257 ILE HD1 . 53316 1 1254 . 1 . 1 222 222 ILE C C 13 180.6971269 0 . . . . . . . 257 ILE C . 53316 1 1255 . 1 . 1 222 222 ILE CA C 13 66.94305316 0.02195492543 . . . . . . . 257 ILE CA . 53316 1 1256 . 1 . 1 222 222 ILE CB C 13 38.54872552 0.04393001713 . . . . . . . 257 ILE CB . 53316 1 1257 . 1 . 1 222 222 ILE CG2 C 13 18.15061946 0.07584509499 . . . . . . . 257 ILE CG2 . 53316 1 1258 . 1 . 1 222 222 ILE CD1 C 13 15.30789766 0.008283226817 . . . . . . . 257 ILE CD1 . 53316 1 1259 . 1 . 1 222 222 ILE N N 15 119.1845407 0.02202667366 . . . . . . . 257 ILE N . 53316 1 1260 . 1 . 1 223 223 SER H H 1 7.865174817 0.002446817335 . . . . . . . 258 SER H . 53316 1 1261 . 1 . 1 223 223 SER C C 13 177.5965043 0 . . . . . . . 258 SER C . 53316 1 1262 . 1 . 1 223 223 SER CA C 13 64.41996854 0.03899168167 . . . . . . . 258 SER CA . 53316 1 1263 . 1 . 1 223 223 SER CB C 13 63.26971393 0.01949584081 . . . . . . . 258 SER CB . 53316 1 1264 . 1 . 1 223 223 SER N N 15 111.9977823 0.009264538639 . . . . . . . 258 SER N . 53316 1 1265 . 1 . 1 224 224 TRP H H 1 8.327689334 0.002580015269 . . . . . . . 259 TRP H . 53316 1 1266 . 1 . 1 224 224 TRP C C 13 180.1299239 0 . . . . . . . 259 TRP C . 53316 1 1267 . 1 . 1 224 224 TRP CA C 13 60.5031158 0.03825654871 . . . . . . . 259 TRP CA . 53316 1 1268 . 1 . 1 224 224 TRP CB C 13 31.14121467 0.01912827435 . . . . . . . 259 TRP CB . 53316 1 1269 . 1 . 1 224 224 TRP N N 15 122.2103394 0.007135650872 . . . . . . . 259 TRP N . 53316 1 1270 . 1 . 1 225 225 MET H H 1 7.813545969 0.005871795802 . . . . . . . 260 MET H . 53316 1 1271 . 1 . 1 225 225 MET HE1 H 1 1.665073915 0 . . . . . . . 260 MET HE . 53316 1 1272 . 1 . 1 225 225 MET HE2 H 1 1.665073915 0 . . . . . . . 260 MET HE . 53316 1 1273 . 1 . 1 225 225 MET HE3 H 1 1.665073915 0 . . . . . . . 260 MET HE . 53316 1 1274 . 1 . 1 225 225 MET C C 13 181.6327999 0 . . . . . . . 260 MET C . 53316 1 1275 . 1 . 1 225 225 MET CA C 13 57.40545388 0.01753652951 . . . . . . . 260 MET CA . 53316 1 1276 . 1 . 1 225 225 MET CB C 13 31.96344102 0.01783426064 . . . . . . . 260 MET CB . 53316 1 1277 . 1 . 1 225 225 MET CE C 13 18.11536809 0 . . . . . . . 260 MET CE . 53316 1 1278 . 1 . 1 225 225 MET N N 15 112.7405217 0.03032074612 . . . . . . . 260 MET N . 53316 1 1279 . 1 . 1 226 226 LYS H H 1 8.950889465 0.002607782082 . . . . . . . 261 LYS H . 53316 1 1280 . 1 . 1 226 226 LYS C C 13 181.8418010 0 . . . . . . . 261 LYS C . 53316 1 1281 . 1 . 1 226 226 LYS CA C 13 58.96531901 0.01433434382 . . . . . . . 261 LYS CA . 53316 1 1282 . 1 . 1 226 226 LYS CB C 13 35.3803681 0.01010284606 . . . . . . . 261 LYS CB . 53316 1 1283 . 1 . 1 226 226 LYS N N 15 120.2936115 0.01431454005 . . . . . . . 261 LYS N . 53316 1 1284 . 1 . 1 227 227 LEU H H 1 8.066118606 0.0039867712 . . . . . . . 262 LEU H . 53316 1 1285 . 1 . 1 227 227 LEU HD11 H 1 0.3681752105 0.002601861154 . . . . . . . 262 LEU HD1 . 53316 1 1286 . 1 . 1 227 227 LEU HD12 H 1 0.3681752105 0.002601861154 . . . . . . . 262 LEU HD1 . 53316 1 1287 . 1 . 1 227 227 LEU HD13 H 1 0.3681752105 0.002601861154 . . . . . . . 262 LEU HD1 . 53316 1 1288 . 1 . 1 227 227 LEU HD21 H 1 0.8319572862 0 . . . . . . . 262 LEU HD2 . 53316 1 1289 . 1 . 1 227 227 LEU HD22 H 1 0.8319572862 0 . . . . . . . 262 LEU HD2 . 53316 1 1290 . 1 . 1 227 227 LEU HD23 H 1 0.8319572862 0 . . . . . . . 262 LEU HD2 . 53316 1 1291 . 1 . 1 227 227 LEU C C 13 180.5041728 0 . . . . . . . 262 LEU C . 53316 1 1292 . 1 . 1 227 227 LEU CA C 13 57.76863869 0.1100733931 . . . . . . . 262 LEU CA . 53316 1 1293 . 1 . 1 227 227 LEU CB C 13 42.39591661 0.008648454364 . . . . . . . 262 LEU CB . 53316 1 1294 . 1 . 1 227 227 LEU CD1 C 13 24.21513277 0.07479483626 . . . . . . . 262 LEU CD1 . 53316 1 1295 . 1 . 1 227 227 LEU CD2 C 13 26.37651474 0.06892908604 . . . . . . . 262 LEU CD2 . 53316 1 1296 . 1 . 1 227 227 LEU N N 15 118.9480946 0.01345196091 . . . . . . . 262 LEU N . 53316 1 1297 . 1 . 1 228 228 TRP H H 1 7.190415356 0.002507960974 . . . . . . . 263 TRP H . 53316 1 1298 . 1 . 1 228 228 TRP C C 13 180.7988931 0 . . . . . . . 263 TRP C . 53316 1 1299 . 1 . 1 228 228 TRP CA C 13 57.60216896 0.002474590617 . . . . . . . 263 TRP CA . 53316 1 1300 . 1 . 1 228 228 TRP CB C 13 31.6443114 0.0162908985 . . . . . . . 263 TRP CB . 53316 1 1301 . 1 . 1 228 228 TRP N N 15 114.177939 0.01879926306 . . . . . . . 263 TRP N . 53316 1 1302 . 1 . 1 229 229 VAL H H 1 9.243239494 0.003467034107 . . . . . . . 264 VAL H . 53316 1 1303 . 1 . 1 229 229 VAL HG11 H 1 0.8302055259 0.00153057889 . . . . . . . 264 VAL HG1 . 53316 1 1304 . 1 . 1 229 229 VAL HG12 H 1 0.8302055259 0.00153057889 . . . . . . . 264 VAL HG1 . 53316 1 1305 . 1 . 1 229 229 VAL HG13 H 1 0.8302055259 0.00153057889 . . . . . . . 264 VAL HG1 . 53316 1 1306 . 1 . 1 229 229 VAL HG21 H 1 0.9906486563 0.002383318569 . . . . . . . 264 VAL HG2 . 53316 1 1307 . 1 . 1 229 229 VAL HG22 H 1 0.9906486563 0.002383318569 . . . . . . . 264 VAL HG2 . 53316 1 1308 . 1 . 1 229 229 VAL HG23 H 1 0.9906486563 0.002383318569 . . . . . . . 264 VAL HG2 . 53316 1 1309 . 1 . 1 229 229 VAL C C 13 181.3564098 0 . . . . . . . 264 VAL C . 53316 1 1310 . 1 . 1 229 229 VAL CA C 13 66.10902949 0 . . . . . . . 264 VAL CA . 53316 1 1311 . 1 . 1 229 229 VAL CB C 13 30.78022351 0 . . . . . . . 264 VAL CB . 53316 1 1312 . 1 . 1 229 229 VAL CG1 C 13 25.24358537 0.1332708915 . . . . . . . 264 VAL CG1 . 53316 1 1313 . 1 . 1 229 229 VAL CG2 C 13 23.24943032 0.004632346222 . . . . . . . 264 VAL CG2 . 53316 1 1314 . 1 . 1 229 229 VAL N N 15 119.2947296 0.01480081333 . . . . . . . 264 VAL N . 53316 1 1315 . 1 . 1 230 230 ASP H H 1 6.789133317 0.003613128817 . . . . . . . 265 ASP H . 53316 1 1316 . 1 . 1 230 230 ASP C C 13 177.8792944 0 . . . . . . . 265 ASP C . 53316 1 1317 . 1 . 1 230 230 ASP CA C 13 53.38502799 0.06405749291 . . . . . . . 265 ASP CA . 53316 1 1318 . 1 . 1 230 230 ASP CB C 13 41.24992143 0.007576692708 . . . . . . . 265 ASP CB . 53316 1 1319 . 1 . 1 230 230 ASP N N 15 117.0324839 0.006323714796 . . . . . . . 265 ASP N . 53316 1 1320 . 1 . 1 231 231 ASN H H 1 6.789971045 0.00440135771 . . . . . . . 266 ASN H . 53316 1 1321 . 1 . 1 231 231 ASN C C 13 177.565833 0 . . . . . . . 266 ASN C . 53316 1 1322 . 1 . 1 231 231 ASN CA C 13 54.40104628 0.02198861099 . . . . . . . 266 ASN CA . 53316 1 1323 . 1 . 1 231 231 ASN CB C 13 37.48769872 0.007627083801 . . . . . . . 266 ASN CB . 53316 1 1324 . 1 . 1 231 231 ASN N N 15 115.717156 0.01488645646 . . . . . . . 266 ASN N . 53316 1 1325 . 1 . 1 232 232 ASP H H 1 7.834478755 0.002849422972 . . . . . . . 267 ASP H . 53316 1 1326 . 1 . 1 232 232 ASP C C 13 179.3530091 0 . . . . . . . 267 ASP C . 53316 1 1327 . 1 . 1 232 232 ASP CA C 13 53.3044795 0.007529346575 . . . . . . . 267 ASP CA . 53316 1 1328 . 1 . 1 232 232 ASP CB C 13 41.10421708 0.001135578957 . . . . . . . 267 ASP CB . 53316 1 1329 . 1 . 1 232 232 ASP N N 15 115.2583443 0.01679000629 . . . . . . . 267 ASP N . 53316 1 1330 . 1 . 1 233 233 THR H H 1 7.803349077 0.003505767839 . . . . . . . 268 THR H . 53316 1 1331 . 1 . 1 233 233 THR HG21 H 1 1.111742309 0.001781212015 . . . . . . . 268 THR HG2 . 53316 1 1332 . 1 . 1 233 233 THR HG22 H 1 1.111742309 0.001781212015 . . . . . . . 268 THR HG2 . 53316 1 1333 . 1 . 1 233 233 THR HG23 H 1 1.111742309 0.001781212015 . . . . . . . 268 THR HG2 . 53316 1 1334 . 1 . 1 233 233 THR C C 13 179.5287735 0 . . . . . . . 268 THR C . 53316 1 1335 . 1 . 1 233 233 THR CA C 13 64.23780884 0.006909260443 . . . . . . . 268 THR CA . 53316 1 1336 . 1 . 1 233 233 THR CB C 13 68.49638643 0.002696935155 . . . . . . . 268 THR CB . 53316 1 1337 . 1 . 1 233 233 THR CG2 C 13 22.15145752 0.01794582905 . . . . . . . 268 THR CG2 . 53316 1 1338 . 1 . 1 233 233 THR N N 15 114.9848589 0.01323508082 . . . . . . . 268 THR N . 53316 1 1339 . 1 . 1 234 234 ARG H H 1 8.239676065 0.004150802479 . . . . . . . 269 ARG H . 53316 1 1340 . 1 . 1 234 234 ARG C C 13 179.5931824 0 . . . . . . . 269 ARG C . 53316 1 1341 . 1 . 1 234 234 ARG CA C 13 58.79274727 0.02623889755 . . . . . . . 269 ARG CA . 53316 1 1342 . 1 . 1 234 234 ARG CB C 13 30.23505147 0 . . . . . . . 269 ARG CB . 53316 1 1343 . 1 . 1 234 234 ARG N N 15 122.5407307 0.01932549618 . . . . . . . 269 ARG N . 53316 1 1344 . 1 . 1 235 235 TYR H H 1 7.735402431 0.004175183645 . . . . . . . 270 TYR H . 53316 1 1345 . 1 . 1 235 235 TYR C C 13 179.1852589 0 . . . . . . . 270 TYR C . 53316 1 1346 . 1 . 1 235 235 TYR CA C 13 60.02312233 0.0214030214 . . . . . . . 270 TYR CA . 53316 1 1347 . 1 . 1 235 235 TYR CB C 13 38.40726282 0 . . . . . . . 270 TYR CB . 53316 1 1348 . 1 . 1 235 235 TYR N N 15 113.1027889 0.01069807755 . . . . . . . 270 TYR N . 53316 1 1349 . 1 . 1 236 236 ARG H H 1 7.604963039 0.00444512037 . . . . . . . 271 ARG H . 53316 1 1350 . 1 . 1 236 236 ARG CA C 13 60.94377105 0 . . . . . . . 271 ARG CA . 53316 1 1351 . 1 . 1 236 236 ARG CB C 13 30.59246411 0 . . . . . . . 271 ARG CB . 53316 1 1352 . 1 . 1 236 236 ARG N N 15 120.6549199 0.02368739746 . . . . . . . 271 ARG N . 53316 1 1353 . 1 . 1 237 237 GLN C C 13 178.2835333 0 . . . . . . . 272 GLN C . 53316 1 1354 . 1 . 1 237 237 GLN CA C 13 57.77268879 0 . . . . . . . 272 GLN CA . 53316 1 1355 . 1 . 1 237 237 GLN CB C 13 28.37119154 0 . . . . . . . 272 GLN CB . 53316 1 1356 . 1 . 1 238 238 PHE H H 1 6.538424519 0.00486823742 . . . . . . . 273 PHE H . 53316 1 1357 . 1 . 1 238 238 PHE C C 13 177.424747 0 . . . . . . . 273 PHE C . 53316 1 1358 . 1 . 1 238 238 PHE CA C 13 58.20267958 0.008165520752 . . . . . . . 273 PHE CA . 53316 1 1359 . 1 . 1 238 238 PHE CB C 13 39.51723609 0.03958533041 . . . . . . . 273 PHE CB . 53316 1 1360 . 1 . 1 238 238 PHE N N 15 116.2295164 0.007841245009 . . . . . . . 273 PHE N . 53316 1 1361 . 1 . 1 239 239 LEU H H 1 7.557322547 0.003342610033 . . . . . . . 274 LEU H . 53316 1 1362 . 1 . 1 239 239 LEU HD11 H 1 1.119251528 0 . . . . . . . 274 LEU HD1 . 53316 1 1363 . 1 . 1 239 239 LEU HD12 H 1 1.119251528 0 . . . . . . . 274 LEU HD1 . 53316 1 1364 . 1 . 1 239 239 LEU HD13 H 1 1.119251528 0 . . . . . . . 274 LEU HD1 . 53316 1 1365 . 1 . 1 239 239 LEU HD21 H 1 1.379777526 0.001709316668 . . . . . . . 274 LEU HD2 . 53316 1 1366 . 1 . 1 239 239 LEU HD22 H 1 1.379777526 0.001709316668 . . . . . . . 274 LEU HD2 . 53316 1 1367 . 1 . 1 239 239 LEU HD23 H 1 1.379777526 0.001709316668 . . . . . . . 274 LEU HD2 . 53316 1 1368 . 1 . 1 239 239 LEU C C 13 178.6914568 0 . . . . . . . 274 LEU C . 53316 1 1369 . 1 . 1 239 239 LEU CA C 13 54.39528221 0.00176728241 . . . . . . . 274 LEU CA . 53316 1 1370 . 1 . 1 239 239 LEU CB C 13 47.84219876 0.02297467229 . . . . . . . 274 LEU CB . 53316 1 1371 . 1 . 1 239 239 LEU CD1 C 13 27.88439794 0.02662815072 . . . . . . . 274 LEU CD1 . 53316 1 1372 . 1 . 1 239 239 LEU CD2 C 13 24.03916148 0.09447785516 . . . . . . . 274 LEU CD2 . 53316 1 1373 . 1 . 1 239 239 LEU N N 15 114.4375305 0.007121690906 . . . . . . . 274 LEU N . 53316 1 1374 . 1 . 1 240 240 CYS H H 1 7.332864296 0.005247073644 . . . . . . . 275 CYS H . 53316 1 1375 . 1 . 1 240 240 CYS CA C 13 55.16051553 0 . . . . . . . 275 CYS CA . 53316 1 1376 . 1 . 1 240 240 CYS CB C 13 45.447531 0 . . . . . . . 275 CYS CB . 53316 1 1377 . 1 . 1 240 240 CYS N N 15 120.1823685 0.01018262903 . . . . . . . 275 CYS N . 53316 1 1378 . 1 . 1 245 245 PRO C C 13 179.6197207 0 . . . . . . . 280 PRO C . 53316 1 1379 . 1 . 1 245 245 PRO CA C 13 64.16162212 0 . . . . . . . 280 PRO CA . 53316 1 1380 . 1 . 1 245 245 PRO CB C 13 32.28074681 0 . . . . . . . 280 PRO CB . 53316 1 1381 . 1 . 1 246 246 ALA H H 1 8.370758854 0.00267925049 . . . . . . . 281 ALA H . 53316 1 1382 . 1 . 1 246 246 ALA HB1 H 1 1.387933032 0.003456064855 . . . . . . . 281 ALA HB . 53316 1 1383 . 1 . 1 246 246 ALA HB2 H 1 1.387933032 0.003456064855 . . . . . . . 281 ALA HB . 53316 1 1384 . 1 . 1 246 246 ALA HB3 H 1 1.387933032 0.003456064855 . . . . . . . 281 ALA HB . 53316 1 1385 . 1 . 1 246 246 ALA C C 13 181.0319604 0 . . . . . . . 281 ALA C . 53316 1 1386 . 1 . 1 246 246 ALA CA C 13 53.38438384 0.004159736771 . . . . . . . 281 ALA CA . 53316 1 1387 . 1 . 1 246 246 ALA CB C 13 19.13464217 0.04615293255 . . . . . . . 281 ALA CB . 53316 1 1388 . 1 . 1 246 246 ALA N N 15 119.6913948 0.008800985483 . . . . . . . 281 ALA N . 53316 1 1389 . 1 . 1 247 247 LEU H H 1 8.156048939 0.005163110887 . . . . . . . 282 LEU H . 53316 1 1390 . 1 . 1 247 247 LEU HD11 H 1 0.5717809537 0.002411145894 . . . . . . . 282 LEU HD1 . 53316 1 1391 . 1 . 1 247 247 LEU HD12 H 1 0.5717809537 0.002411145894 . . . . . . . 282 LEU HD1 . 53316 1 1392 . 1 . 1 247 247 LEU HD13 H 1 0.5717809537 0.002411145894 . . . . . . . 282 LEU HD1 . 53316 1 1393 . 1 . 1 247 247 LEU HD21 H 1 0.8537936691 0.004133898781 . . . . . . . 282 LEU HD2 . 53316 1 1394 . 1 . 1 247 247 LEU HD22 H 1 0.8537936691 0.004133898781 . . . . . . . 282 LEU HD2 . 53316 1 1395 . 1 . 1 247 247 LEU HD23 H 1 0.8537936691 0.004133898781 . . . . . . . 282 LEU HD2 . 53316 1 1396 . 1 . 1 247 247 LEU C C 13 179.3941661 0 . . . . . . . 282 LEU C . 53316 1 1397 . 1 . 1 247 247 LEU CA C 13 53.83684622 0.004313490387 . . . . . . . 282 LEU CA . 53316 1 1398 . 1 . 1 247 247 LEU CB C 13 42.49039631 0.002905574034 . . . . . . . 282 LEU CB . 53316 1 1399 . 1 . 1 247 247 LEU CD1 C 13 22.57577663 0.07909811778 . . . . . . . 282 LEU CD1 . 53316 1 1400 . 1 . 1 247 247 LEU CD2 C 13 25.70540446 0.08034442679 . . . . . . . 282 LEU CD2 . 53316 1 1401 . 1 . 1 247 247 LEU N N 15 117.323523 0.00449284503 . . . . . . . 282 LEU N . 53316 1 1402 . 1 . 1 248 248 CYS H H 1 9.185425201 0.003008728313 . . . . . . . 283 CYS H . 53316 1 1403 . 1 . 1 248 248 CYS C C 13 176.3450007 0 . . . . . . . 283 CYS C . 53316 1 1404 . 1 . 1 248 248 CYS CA C 13 61.06555127 0.009877608244 . . . . . . . 283 CYS CA . 53316 1 1405 . 1 . 1 248 248 CYS CB C 13 38.85117857 0.02474169719 . . . . . . . 283 CYS CB . 53316 1 1406 . 1 . 1 248 248 CYS N N 15 124.2337309 0.0003187213238 . . . . . . . 283 CYS N . 53316 1 1407 . 1 . 1 249 249 ASP H H 1 7.602252623 0.004263805665 . . . . . . . 284 ASP H . 53316 1 1408 . 1 . 1 249 249 ASP C C 13 176.8502592 0 . . . . . . . 284 ASP C . 53316 1 1409 . 1 . 1 249 249 ASP CA C 13 54.6677651 0.03436795678 . . . . . . . 284 ASP CA . 53316 1 1410 . 1 . 1 249 249 ASP CB C 13 43.27049144 0.01553817491 . . . . . . . 284 ASP CB . 53316 1 1411 . 1 . 1 249 249 ASP N N 15 116.3005436 0.05316967637 . . . . . . . 284 ASP N . 53316 1 1412 . 1 . 1 250 250 PHE H H 1 8.268476175 0.00213604701 . . . . . . . 285 PHE H . 53316 1 1413 . 1 . 1 250 250 PHE C C 13 177.0162634 0 . . . . . . . 285 PHE C . 53316 1 1414 . 1 . 1 250 250 PHE CA C 13 57.91858766 0.008222052553 . . . . . . . 285 PHE CA . 53316 1 1415 . 1 . 1 250 250 PHE CB C 13 41.46299628 0.01338471189 . . . . . . . 285 PHE CB . 53316 1 1416 . 1 . 1 250 250 PHE N N 15 124.4170765 0.002094785092 . . . . . . . 285 PHE N . 53316 1 1417 . 1 . 1 251 251 ARG H H 1 8.898908518 0.003805869395 . . . . . . . 286 ARG H . 53316 1 1418 . 1 . 1 251 251 ARG C C 13 176.3077083 0 . . . . . . . 286 ARG C . 53316 1 1419 . 1 . 1 251 251 ARG CA C 13 53.71975213 0.009478297577 . . . . . . . 286 ARG CA . 53316 1 1420 . 1 . 1 251 251 ARG CB C 13 33.78140492 0.02544174608 . . . . . . . 286 ARG CB . 53316 1 1421 . 1 . 1 251 251 ARG N N 15 126.4718329 0.008435938544 . . . . . . . 286 ARG N . 53316 1 1422 . 1 . 1 252 252 THR H H 1 8.32202671 0.004092778256 . . . . . . . 287 THR H . 53316 1 1423 . 1 . 1 252 252 THR HG21 H 1 1.394938367 0 . . . . . . . 287 THR HG2 . 53316 1 1424 . 1 . 1 252 252 THR HG22 H 1 1.394938367 0 . . . . . . . 287 THR HG2 . 53316 1 1425 . 1 . 1 252 252 THR HG23 H 1 1.394938367 0 . . . . . . . 287 THR HG2 . 53316 1 1426 . 1 . 1 252 252 THR C C 13 174.7973672 0 . . . . . . . 287 THR C . 53316 1 1427 . 1 . 1 252 252 THR CA C 13 61.58598369 0.03010250292 . . . . . . . 287 THR CA . 53316 1 1428 . 1 . 1 252 252 THR CB C 13 69.28675125 0.01368295591 . . . . . . . 287 THR CB . 53316 1 1429 . 1 . 1 252 252 THR CG2 C 13 18.64131633 0.04531379605 . . . . . . . 287 THR CG2 . 53316 1 1430 . 1 . 1 252 252 THR N N 15 114.7141987 0.0120251818 . . . . . . . 287 THR N . 53316 1 1431 . 1 . 1 253 253 ASN H H 1 8.076272092 0.003581285883 . . . . . . . 288 ASN H . 53316 1 1432 . 1 . 1 253 253 ASN C C 13 179.4216215 0 . . . . . . . 288 ASN C . 53316 1 1433 . 1 . 1 253 253 ASN CA C 13 52.78236988 0.0328390941 . . . . . . . 288 ASN CA . 53316 1 1434 . 1 . 1 253 253 ASN CB C 13 37.57786931 0 . . . . . . . 288 ASN CB . 53316 1 1435 . 1 . 1 253 253 ASN N N 15 120.9645672 0.0141098902 . . . . . . . 288 ASN N . 53316 1 1436 . 1 . 1 254 254 ASN H H 1 9.837286252 0.004367570222 . . . . . . . 289 ASN H . 53316 1 1437 . 1 . 1 254 254 ASN C C 13 179.067344 0 . . . . . . . 289 ASN C . 53316 1 1438 . 1 . 1 254 254 ASN CA C 13 55.14678465 0.0328390941 . . . . . . . 289 ASN CA . 53316 1 1439 . 1 . 1 254 254 ASN CB C 13 39.05562854 0.0328390941 . . . . . . . 289 ASN CB . 53316 1 1440 . 1 . 1 254 254 ASN N N 15 117.5159397 0.01256883422 . . . . . . . 289 ASN N . 53316 1 1441 . 1 . 1 255 255 ARG H H 1 8.52156132 0.003048235725 . . . . . . . 290 ARG H . 53316 1 1442 . 1 . 1 255 255 ARG C C 13 179.4740616 0 . . . . . . . 290 ARG C . 53316 1 1443 . 1 . 1 255 255 ARG CA C 13 58.73184566 0.005599753282 . . . . . . . 290 ARG CA . 53316 1 1444 . 1 . 1 255 255 ARG CB C 13 29.94345758 0.01574189828 . . . . . . . 290 ARG CB . 53316 1 1445 . 1 . 1 255 255 ARG N N 15 119.8031085 0.007880243943 . . . . . . . 290 ARG N . 53316 1 1446 . 1 . 1 256 256 HIS H H 1 8.867813008 0.003929848362 . . . . . . . 291 HIS H . 53316 1 1447 . 1 . 1 256 256 HIS C C 13 177.0536798 0 . . . . . . . 291 HIS C . 53316 1 1448 . 1 . 1 256 256 HIS CA C 13 56.57473919 0.01946260378 . . . . . . . 291 HIS CA . 53316 1 1449 . 1 . 1 256 256 HIS CB C 13 32.39349156 0.01990410829 . . . . . . . 291 HIS CB . 53316 1 1450 . 1 . 1 256 256 HIS N N 15 114.0993619 0.01101879498 . . . . . . . 291 HIS N . 53316 1 1451 . 1 . 1 257 257 CYS H H 1 6.952935188 0.00279428426 . . . . . . . 292 CYS H . 53316 1 1452 . 1 . 1 257 257 CYS C C 13 176.0752276 0 . . . . . . . 292 CYS C . 53316 1 1453 . 1 . 1 257 257 CYS CA C 13 55.62559778 0.005234207277 . . . . . . . 292 CYS CA . 53316 1 1454 . 1 . 1 257 257 CYS CB C 13 42.07099682 0.007539061874 . . . . . . . 292 CYS CB . 53316 1 1455 . 1 . 1 257 257 CYS N N 15 118.1715858 0.000308430718 . . . . . . . 292 CYS N . 53316 1 1456 . 1 . 1 258 258 GLN H H 1 7.360984807 0.002883765208 . . . . . . . 293 GLN H . 53316 1 1457 . 1 . 1 258 258 GLN CA C 13 57.52768466 0 . . . . . . . 293 GLN CA . 53316 1 1458 . 1 . 1 258 258 GLN CB C 13 30.60690117 0 . . . . . . . 293 GLN CB . 53316 1 1459 . 1 . 1 258 258 GLN N N 15 124.4561803 0.004299865478 . . . . . . . 293 GLN N . 53316 1 stop_ save_