data_52947 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52947 _Entry.Title ; Backbone assignment Sex-lethal dRBD5 (122-305) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-03-06 _Entry.Accession_date 2025-03-06 _Entry.Last_release_date 2025-03-06 _Entry.Original_release_date 2025-03-06 _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 . _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 Julia Meyer . . . 0009-0003-1430-9981 52947 2 Janosch Hennig . . . 0000-0001-5214-7002 52947 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52947 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 508 52947 '15N chemical shifts' 175 52947 '1H chemical shifts' 175 52947 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 . . 2025-07-04 . original BMRB . 52947 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52948 'Backbone assignment Sex-lethal dRBD5 (122-305) + U10 RNA' 52947 BMRB 52952 'Backbone assignment Sex-lethal dRBD5 (122-305) + dUnr-CSD1 + U10 RNA' 52947 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52947 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Real-time tracking of mRNP complex assembly reveals multiple mechanisms ensuring efficient translation repression ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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 Marco Payr . . . . 52947 1 2 Julia Meyer . . . . 52947 1 3 Eva-Maria Geissen . . . . 52947 1 4 Olivier Duss . . . . 52947 1 5 Janosch Hennig . . . . 52947 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52947 _Assembly.ID 1 _Assembly.Name 'Sex-lethal dRBD5' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Sex-lethal dRBD5' 1 $entity_1 . . yes native no no . . . 52947 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52947 _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 ; GAASNTNLIVNYLPQDMTDR ELYALFRAIGPINTCRIMRD YKTGYSFGYAFVDFTSEMDS QRAIKVLNGITVRNKRLKVS YARPGGESIKDTNLYVTNLP RTITDDQLDTIFGKYGSIVQ KNILRDKLTGRPRGVAFVRY NKREEAQEAISALNNVIPEG GSQPLSVRLAEEHGKAKAAH FMSQMG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N-terminal GA from purification tag' _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 186 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 120 GLY . 52947 1 2 121 ALA . 52947 1 3 122 ALA . 52947 1 4 123 SER . 52947 1 5 124 ASN . 52947 1 6 125 THR . 52947 1 7 126 ASN . 52947 1 8 127 LEU . 52947 1 9 128 ILE . 52947 1 10 129 VAL . 52947 1 11 130 ASN . 52947 1 12 131 TYR . 52947 1 13 132 LEU . 52947 1 14 133 PRO . 52947 1 15 134 GLN . 52947 1 16 135 ASP . 52947 1 17 136 MET . 52947 1 18 137 THR . 52947 1 19 138 ASP . 52947 1 20 139 ARG . 52947 1 21 140 GLU . 52947 1 22 141 LEU . 52947 1 23 142 TYR . 52947 1 24 143 ALA . 52947 1 25 144 LEU . 52947 1 26 145 PHE . 52947 1 27 146 ARG . 52947 1 28 147 ALA . 52947 1 29 148 ILE . 52947 1 30 149 GLY . 52947 1 31 150 PRO . 52947 1 32 151 ILE . 52947 1 33 152 ASN . 52947 1 34 153 THR . 52947 1 35 154 CYS . 52947 1 36 155 ARG . 52947 1 37 156 ILE . 52947 1 38 157 MET . 52947 1 39 158 ARG . 52947 1 40 159 ASP . 52947 1 41 160 TYR . 52947 1 42 161 LYS . 52947 1 43 162 THR . 52947 1 44 163 GLY . 52947 1 45 164 TYR . 52947 1 46 165 SER . 52947 1 47 166 PHE . 52947 1 48 167 GLY . 52947 1 49 168 TYR . 52947 1 50 169 ALA . 52947 1 51 170 PHE . 52947 1 52 171 VAL . 52947 1 53 172 ASP . 52947 1 54 173 PHE . 52947 1 55 174 THR . 52947 1 56 175 SER . 52947 1 57 176 GLU . 52947 1 58 177 MET . 52947 1 59 178 ASP . 52947 1 60 179 SER . 52947 1 61 180 GLN . 52947 1 62 181 ARG . 52947 1 63 182 ALA . 52947 1 64 183 ILE . 52947 1 65 184 LYS . 52947 1 66 185 VAL . 52947 1 67 186 LEU . 52947 1 68 187 ASN . 52947 1 69 188 GLY . 52947 1 70 189 ILE . 52947 1 71 190 THR . 52947 1 72 191 VAL . 52947 1 73 192 ARG . 52947 1 74 193 ASN . 52947 1 75 194 LYS . 52947 1 76 195 ARG . 52947 1 77 196 LEU . 52947 1 78 197 LYS . 52947 1 79 198 VAL . 52947 1 80 199 SER . 52947 1 81 200 TYR . 52947 1 82 201 ALA . 52947 1 83 202 ARG . 52947 1 84 203 PRO . 52947 1 85 204 GLY . 52947 1 86 205 GLY . 52947 1 87 206 GLU . 52947 1 88 207 SER . 52947 1 89 208 ILE . 52947 1 90 209 LYS . 52947 1 91 210 ASP . 52947 1 92 211 THR . 52947 1 93 212 ASN . 52947 1 94 213 LEU . 52947 1 95 214 TYR . 52947 1 96 215 VAL . 52947 1 97 216 THR . 52947 1 98 217 ASN . 52947 1 99 218 LEU . 52947 1 100 219 PRO . 52947 1 101 220 ARG . 52947 1 102 221 THR . 52947 1 103 222 ILE . 52947 1 104 223 THR . 52947 1 105 224 ASP . 52947 1 106 225 ASP . 52947 1 107 226 GLN . 52947 1 108 227 LEU . 52947 1 109 228 ASP . 52947 1 110 229 THR . 52947 1 111 230 ILE . 52947 1 112 231 PHE . 52947 1 113 232 GLY . 52947 1 114 233 LYS . 52947 1 115 234 TYR . 52947 1 116 235 GLY . 52947 1 117 236 SER . 52947 1 118 237 ILE . 52947 1 119 238 VAL . 52947 1 120 239 GLN . 52947 1 121 240 LYS . 52947 1 122 241 ASN . 52947 1 123 242 ILE . 52947 1 124 243 LEU . 52947 1 125 244 ARG . 52947 1 126 245 ASP . 52947 1 127 246 LYS . 52947 1 128 247 LEU . 52947 1 129 248 THR . 52947 1 130 249 GLY . 52947 1 131 250 ARG . 52947 1 132 251 PRO . 52947 1 133 252 ARG . 52947 1 134 253 GLY . 52947 1 135 254 VAL . 52947 1 136 255 ALA . 52947 1 137 256 PHE . 52947 1 138 257 VAL . 52947 1 139 258 ARG . 52947 1 140 259 TYR . 52947 1 141 260 ASN . 52947 1 142 261 LYS . 52947 1 143 262 ARG . 52947 1 144 263 GLU . 52947 1 145 264 GLU . 52947 1 146 265 ALA . 52947 1 147 266 GLN . 52947 1 148 267 GLU . 52947 1 149 268 ALA . 52947 1 150 269 ILE . 52947 1 151 270 SER . 52947 1 152 271 ALA . 52947 1 153 272 LEU . 52947 1 154 273 ASN . 52947 1 155 274 ASN . 52947 1 156 275 VAL . 52947 1 157 276 ILE . 52947 1 158 277 PRO . 52947 1 159 278 GLU . 52947 1 160 279 GLY . 52947 1 161 280 GLY . 52947 1 162 281 SER . 52947 1 163 282 GLN . 52947 1 164 283 PRO . 52947 1 165 284 LEU . 52947 1 166 285 SER . 52947 1 167 286 VAL . 52947 1 168 287 ARG . 52947 1 169 288 LEU . 52947 1 170 289 ALA . 52947 1 171 290 GLU . 52947 1 172 291 GLU . 52947 1 173 292 HIS . 52947 1 174 293 GLY . 52947 1 175 294 LYS . 52947 1 176 295 ALA . 52947 1 177 296 LYS . 52947 1 178 297 ALA . 52947 1 179 298 ALA . 52947 1 180 299 HIS . 52947 1 181 300 PHE . 52947 1 182 301 MET . 52947 1 183 302 SER . 52947 1 184 303 GLN . 52947 1 185 304 MET . 52947 1 186 305 GLY . 52947 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 . GLY 1 1 52947 1 . ALA 2 2 52947 1 . ALA 3 3 52947 1 . SER 4 4 52947 1 . ASN 5 5 52947 1 . THR 6 6 52947 1 . ASN 7 7 52947 1 . LEU 8 8 52947 1 . ILE 9 9 52947 1 . VAL 10 10 52947 1 . ASN 11 11 52947 1 . TYR 12 12 52947 1 . LEU 13 13 52947 1 . PRO 14 14 52947 1 . GLN 15 15 52947 1 . ASP 16 16 52947 1 . MET 17 17 52947 1 . THR 18 18 52947 1 . ASP 19 19 52947 1 . ARG 20 20 52947 1 . GLU 21 21 52947 1 . LEU 22 22 52947 1 . TYR 23 23 52947 1 . ALA 24 24 52947 1 . LEU 25 25 52947 1 . PHE 26 26 52947 1 . ARG 27 27 52947 1 . ALA 28 28 52947 1 . ILE 29 29 52947 1 . GLY 30 30 52947 1 . PRO 31 31 52947 1 . ILE 32 32 52947 1 . ASN 33 33 52947 1 . THR 34 34 52947 1 . CYS 35 35 52947 1 . ARG 36 36 52947 1 . ILE 37 37 52947 1 . MET 38 38 52947 1 . ARG 39 39 52947 1 . ASP 40 40 52947 1 . TYR 41 41 52947 1 . LYS 42 42 52947 1 . THR 43 43 52947 1 . GLY 44 44 52947 1 . TYR 45 45 52947 1 . SER 46 46 52947 1 . PHE 47 47 52947 1 . GLY 48 48 52947 1 . TYR 49 49 52947 1 . ALA 50 50 52947 1 . PHE 51 51 52947 1 . VAL 52 52 52947 1 . ASP 53 53 52947 1 . PHE 54 54 52947 1 . THR 55 55 52947 1 . SER 56 56 52947 1 . GLU 57 57 52947 1 . MET 58 58 52947 1 . ASP 59 59 52947 1 . SER 60 60 52947 1 . GLN 61 61 52947 1 . ARG 62 62 52947 1 . ALA 63 63 52947 1 . ILE 64 64 52947 1 . LYS 65 65 52947 1 . VAL 66 66 52947 1 . LEU 67 67 52947 1 . ASN 68 68 52947 1 . GLY 69 69 52947 1 . ILE 70 70 52947 1 . THR 71 71 52947 1 . VAL 72 72 52947 1 . ARG 73 73 52947 1 . ASN 74 74 52947 1 . LYS 75 75 52947 1 . ARG 76 76 52947 1 . LEU 77 77 52947 1 . LYS 78 78 52947 1 . VAL 79 79 52947 1 . SER 80 80 52947 1 . TYR 81 81 52947 1 . ALA 82 82 52947 1 . ARG 83 83 52947 1 . PRO 84 84 52947 1 . GLY 85 85 52947 1 . GLY 86 86 52947 1 . GLU 87 87 52947 1 . SER 88 88 52947 1 . ILE 89 89 52947 1 . LYS 90 90 52947 1 . ASP 91 91 52947 1 . THR 92 92 52947 1 . ASN 93 93 52947 1 . LEU 94 94 52947 1 . TYR 95 95 52947 1 . VAL 96 96 52947 1 . THR 97 97 52947 1 . ASN 98 98 52947 1 . LEU 99 99 52947 1 . PRO 100 100 52947 1 . ARG 101 101 52947 1 . THR 102 102 52947 1 . ILE 103 103 52947 1 . THR 104 104 52947 1 . ASP 105 105 52947 1 . ASP 106 106 52947 1 . GLN 107 107 52947 1 . LEU 108 108 52947 1 . ASP 109 109 52947 1 . THR 110 110 52947 1 . ILE 111 111 52947 1 . PHE 112 112 52947 1 . GLY 113 113 52947 1 . LYS 114 114 52947 1 . TYR 115 115 52947 1 . GLY 116 116 52947 1 . SER 117 117 52947 1 . ILE 118 118 52947 1 . VAL 119 119 52947 1 . GLN 120 120 52947 1 . LYS 121 121 52947 1 . ASN 122 122 52947 1 . ILE 123 123 52947 1 . LEU 124 124 52947 1 . ARG 125 125 52947 1 . ASP 126 126 52947 1 . LYS 127 127 52947 1 . LEU 128 128 52947 1 . THR 129 129 52947 1 . GLY 130 130 52947 1 . ARG 131 131 52947 1 . PRO 132 132 52947 1 . ARG 133 133 52947 1 . GLY 134 134 52947 1 . VAL 135 135 52947 1 . ALA 136 136 52947 1 . PHE 137 137 52947 1 . VAL 138 138 52947 1 . ARG 139 139 52947 1 . TYR 140 140 52947 1 . ASN 141 141 52947 1 . LYS 142 142 52947 1 . ARG 143 143 52947 1 . GLU 144 144 52947 1 . GLU 145 145 52947 1 . ALA 146 146 52947 1 . GLN 147 147 52947 1 . GLU 148 148 52947 1 . ALA 149 149 52947 1 . ILE 150 150 52947 1 . SER 151 151 52947 1 . ALA 152 152 52947 1 . LEU 153 153 52947 1 . ASN 154 154 52947 1 . ASN 155 155 52947 1 . VAL 156 156 52947 1 . ILE 157 157 52947 1 . PRO 158 158 52947 1 . GLU 159 159 52947 1 . GLY 160 160 52947 1 . GLY 161 161 52947 1 . SER 162 162 52947 1 . GLN 163 163 52947 1 . PRO 164 164 52947 1 . LEU 165 165 52947 1 . SER 166 166 52947 1 . VAL 167 167 52947 1 . ARG 168 168 52947 1 . LEU 169 169 52947 1 . ALA 170 170 52947 1 . GLU 171 171 52947 1 . GLU 172 172 52947 1 . HIS 173 173 52947 1 . GLY 174 174 52947 1 . LYS 175 175 52947 1 . ALA 176 176 52947 1 . LYS 177 177 52947 1 . ALA 178 178 52947 1 . ALA 179 179 52947 1 . HIS 180 180 52947 1 . PHE 181 181 52947 1 . MET 182 182 52947 1 . SER 183 183 52947 1 . GLN 184 184 52947 1 . MET 185 185 52947 1 . GLY 186 186 52947 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 52947 _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 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 52947 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 52947 _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 . . pET24d(+) . . . 52947 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52947 _Sample.ID 1 _Sample.Name '2H, 13C, 15N Sxl-dRBD5' _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 'Sex-lethal dRBD5' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 300 . . uM . . . . 52947 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 52947 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52947 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 52947 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 52947 _Sample_condition_list.ID 1 _Sample_condition_list.Name NMR_buffer_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 52947 1 temperature 298 . K 52947 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52947 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52947 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 52947 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 1000_MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 1000 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52947 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 700_MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 52947 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52947 1 2 '3D CBCACONH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52947 1 3 '3D HNCACB' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52947 1 4 '3D HN(CO)CA' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52947 1 5 '3D HNCO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52947 1 6 '3D HNCA' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52947 1 7 '3D HNCACO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52947 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 52947 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '1H, 13C, 15N chemical shifts_Sxl-dRBD5' _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 water protons . . . . ppm 4.773 internal indirect . . . . . . 52947 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 52947 1 N 15 water protons . . . . ppm 4.773 internal indirect . . . . . . 52947 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 52947 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Sxl-dRBD5_assignment _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 52947 1 2 '3D CBCACONH' . . . 52947 1 3 '3D HNCACB' . . . 52947 1 4 '3D HN(CO)CA' . . . 52947 1 5 '3D HNCO' . . . 52947 1 6 '3D HNCA' . . . 52947 1 7 '3D HNCACO' . . . 52947 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 . . 52947 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 2 2 ALA C C 13 177.5000 0.0000 . 1 . . 13294 . . 121 ALA C . 52947 1 2 . 1 . 1 2 2 ALA CA C 13 52.2000 0.0000 . 1 . . 9883 . . 121 ALA CA . 52947 1 3 . 1 . 1 2 2 ALA CB C 13 18.6790 0.0000 . 1 . . 10696 . . 121 ALA CB . 52947 1 4 . 1 . 1 3 3 ALA H H 1 8.4256 0.0000 . 1 . . 9548 . . 122 ALA H . 52947 1 5 . 1 . 1 3 3 ALA C C 13 177.5360 0.0000 . 1 . . 12997 . . 122 ALA C . 52947 1 6 . 1 . 1 3 3 ALA CA C 13 51.8580 0.0000 . 1 . . 9031 . . 122 ALA CA . 52947 1 7 . 1 . 1 3 3 ALA CB C 13 18.6290 0.0000 . 1 . . 10141 . . 122 ALA CB . 52947 1 8 . 1 . 1 3 3 ALA N N 15 123.2266 0.0000 . 1 . . 9549 . . 122 ALA N . 52947 1 9 . 1 . 1 4 4 SER H H 1 8.2996 0.0000 . 1 . . 9029 . . 123 SER H . 52947 1 10 . 1 . 1 4 4 SER C C 13 174.4540 0.0000 . 1 . . 11716 . . 123 SER C . 52947 1 11 . 1 . 1 4 4 SER CA C 13 57.7510 0.0000 . 1 . . 7111 . . 123 SER CA . 52947 1 12 . 1 . 1 4 4 SER CB C 13 63.7520 0.0000 . 1 . . 7108 . . 123 SER CB . 52947 1 13 . 1 . 1 4 4 SER N N 15 115.1616 0.0000 . 1 . . 9030 . . 123 SER N . 52947 1 14 . 1 . 1 5 5 ASN H H 1 8.7564 0.0000 . 1 . . 9428 . . 124 ASN H . 52947 1 15 . 1 . 1 5 5 ASN CA C 13 52.8310 0.0000 . 1 . . 9430 . . 124 ASN CA . 52947 1 16 . 1 . 1 5 5 ASN CB C 13 37.8950 0.0000 . 1 . . 7831 . . 124 ASN CB . 52947 1 17 . 1 . 1 5 5 ASN N N 15 121.5325 0.0000 . 1 . . 9429 . . 124 ASN N . 52947 1 18 . 1 . 1 6 6 THR H H 1 8.1659 0.0000 . 1 . . 11606 . . 125 THR H . 52947 1 19 . 1 . 1 6 6 THR C C 13 175.0602 0.0000 . 1 . . 11608 . . 125 THR C . 52947 1 20 . 1 . 1 6 6 THR CA C 13 61.8940 0.0000 . 1 . . 8881 . . 125 THR CA . 52947 1 21 . 1 . 1 6 6 THR CB C 13 68.6060 0.0000 . 1 . . 6862 . . 125 THR CB . 52947 1 22 . 1 . 1 6 6 THR N N 15 110.3715 0.0000 . 1 . . 11607 . . 125 THR N . 52947 1 23 . 1 . 1 7 7 ASN H H 1 8.0228 0.0000 . 1 . . 9419 . . 126 ASN H . 52947 1 24 . 1 . 1 7 7 ASN C C 13 174.7560 0.0000 . 1 . . 12004 . . 126 ASN C . 52947 1 25 . 1 . 1 7 7 ASN CA C 13 53.6990 0.0000 . 1 . . 7819 . . 126 ASN CA . 52947 1 26 . 1 . 1 7 7 ASN CB C 13 39.4250 0.0000 . 1 . . 7810 . . 126 ASN CB . 52947 1 27 . 1 . 1 7 7 ASN N N 15 121.3326 0.0000 . 1 . . 9420 . . 126 ASN N . 52947 1 28 . 1 . 1 8 8 LEU H H 1 9.4983 0.0000 . 1 . . 9668 . . 127 LEU H . 52947 1 29 . 1 . 1 8 8 LEU CA C 13 53.1330 0.0000 . 1 . . 9670 . . 127 LEU CA . 52947 1 30 . 1 . 1 8 8 LEU CB C 13 43.2640 0.0000 . 1 . . 8272 . . 127 LEU CB . 52947 1 31 . 1 . 1 8 8 LEU N N 15 126.3717 0.0000 . 1 . . 9669 . . 127 LEU N . 52947 1 32 . 1 . 1 9 9 ILE H H 1 9.1843 0.0000 . 1 . . 9293 . . 128 ILE H . 52947 1 33 . 1 . 1 9 9 ILE C C 13 173.9760 0.0000 . 1 . . 11905 . . 128 ILE C . 52947 1 34 . 1 . 1 9 9 ILE CA C 13 58.0640 0.0000 . 1 . . 7585 . . 128 ILE CA . 52947 1 35 . 1 . 1 9 9 ILE CB C 13 40.2090 0.0000 . 1 . . 7591 . . 128 ILE CB . 52947 1 36 . 1 . 1 9 9 ILE N N 15 119.7101 0.0000 . 1 . . 9294 . . 128 ILE N . 52947 1 37 . 1 . 1 10 10 VAL H H 1 8.8063 0.0000 . 1 . . 9761 . . 129 VAL H . 52947 1 38 . 1 . 1 10 10 VAL C C 13 174.7470 0.0000 . 1 . . 12235 . . 129 VAL C . 52947 1 39 . 1 . 1 10 10 VAL CA C 13 59.2100 0.0000 . 1 . . 8782 . . 129 VAL CA . 52947 1 40 . 1 . 1 10 10 VAL CB C 13 32.4730 0.0000 . 1 . . 8419 . . 129 VAL CB . 52947 1 41 . 1 . 1 10 10 VAL N N 15 128.4381 0.0000 . 1 . . 9762 . . 129 VAL N . 52947 1 42 . 1 . 1 11 11 ASN H H 1 9.3530 0.0000 . 1 . . 9566 . . 130 ASN H . 52947 1 43 . 1 . 1 11 11 ASN C C 13 173.4530 0.0000 . 1 . . 12127 . . 130 ASN C . 52947 1 44 . 1 . 1 11 11 ASN CA C 13 51.2400 0.0000 . 1 . . 9571 . . 130 ASN CA . 52947 1 45 . 1 . 1 11 11 ASN CB C 13 42.1440 0.0000 . 1 . . 8083 . . 130 ASN CB . 52947 1 46 . 1 . 1 11 11 ASN N N 15 124.0373 0.0000 . 1 . . 9567 . . 130 ASN N . 52947 1 47 . 1 . 1 12 12 TYR H H 1 8.4358 0.0000 . 1 . . 12272 . . 131 TYR H . 52947 1 48 . 1 . 1 12 12 TYR CA C 13 56.9080 0.0000 . 1 . . 8950 . . 131 TYR CA . 52947 1 49 . 1 . 1 12 12 TYR CB C 13 33.4730 0.0000 . 1 . . 6982 . . 131 TYR CB . 52947 1 50 . 1 . 1 12 12 TYR N N 15 113.4234 0.0000 . 1 . . 12273 . . 131 TYR N . 52947 1 51 . 1 . 1 13 13 LEU H H 1 7.4599 0.0000 . 1 . . 8930 . . 132 LEU H . 52947 1 52 . 1 . 1 13 13 LEU C C 13 176.8310 0.0000 . 1 . . 11641 . . 132 LEU C . 52947 1 53 . 1 . 1 13 13 LEU CA C 13 52.6285 0.0000 . 1 . . 6949 . . 132 LEU CA . 52947 1 54 . 1 . 1 13 13 LEU CB C 13 40.3900 0.0000 . 1 . . 6946 . . 132 LEU CB . 52947 1 55 . 1 . 1 13 13 LEU N N 15 112.6309 0.0000 . 1 . . 8931 . . 132 LEU N . 52947 1 56 . 1 . 1 15 15 GLN C C 13 175.4540 0.0000 . 1 . . 17272 . . 134 GLN C . 52947 1 57 . 1 . 1 15 15 GLN CA C 13 57.8420 0.0000 . 1 . . 17264 . . 134 GLN CA . 52947 1 58 . 1 . 1 15 15 GLN CB C 13 27.9940 0.0000 . 1 . . 17274 . . 134 GLN CB . 52947 1 59 . 1 . 1 16 16 ASP H H 1 7.9970 0.0000 . 1 . . 8963 . . 135 ASP H . 52947 1 60 . 1 . 1 16 16 ASP CA C 13 51.9600 0.0000 . 1 . . 8962 . . 135 ASP CA . 52947 1 61 . 1 . 1 16 16 ASP CB C 13 39.4230 0.0000 . 1 . . 7000 . . 135 ASP CB . 52947 1 62 . 1 . 1 16 16 ASP N N 15 113.4530 0.0000 . 1 . . 8964 . . 135 ASP N . 52947 1 63 . 1 . 1 17 17 MET H H 1 7.3064 0.0000 . 1 . . 9314 . . 136 MET H . 52947 1 64 . 1 . 1 17 17 MET CA C 13 56.1500 0.0000 . 1 . . 9316 . . 136 MET CA . 52947 1 65 . 1 . 1 17 17 MET CB C 13 32.9320 0.0000 . 1 . . 7621 . . 136 MET CB . 52947 1 66 . 1 . 1 17 17 MET N N 15 120.0106 0.0000 . 1 . . 9315 . . 136 MET N . 52947 1 67 . 1 . 1 18 18 THR H H 1 8.1277 0.0000 . 1 . . 9170 . . 137 THR H . 52947 1 68 . 1 . 1 18 18 THR C C 13 175.0910 0.0000 . 1 . . 11824 . . 137 THR C . 52947 1 69 . 1 . 1 18 18 THR CA C 13 59.7620 0.0000 . 1 . . 7363 . . 137 THR CA . 52947 1 70 . 1 . 1 18 18 THR CB C 13 71.0573 0.0000 . 1 . . 8461 . . 137 THR CB . 52947 1 71 . 1 . 1 18 18 THR N N 15 117.8125 0.0000 . 1 . . 9171 . . 137 THR N . 52947 1 72 . 1 . 1 19 19 ASP H H 1 8.9316 0.0000 . 1 . . . . . 138 ASP H . 52947 1 73 . 1 . 1 19 19 ASP C C 13 178.6530 0.0000 . 1 . . 13078 . . 138 ASP C . 52947 1 74 . 1 . 1 19 19 ASP CA C 13 57.9690 0.0000 . 1 . . 9175 . . 138 ASP CA . 52947 1 75 . 1 . 1 19 19 ASP CB C 13 39.2770 0.0000 . 1 . . 10288 . . 138 ASP CB . 52947 1 76 . 1 . 1 19 19 ASP N N 15 121.4898 0.0000 . 1 . . . . . 138 ASP N . 52947 1 77 . 1 . 1 20 20 ARG H H 1 8.2794 0.0000 . 1 . . 9818 . . 139 ARG H . 52947 1 78 . 1 . 1 20 20 ARG C C 13 178.6970 0.0000 . 1 . . 11833 . . 139 ARG C . 52947 1 79 . 1 . 1 20 20 ARG CA C 13 58.5090 0.0000 . 1 . . 7378 . . 139 ARG CA . 52947 1 80 . 1 . 1 20 20 ARG CB C 13 28.8900 0.0000 . 1 . . 7381 . . 139 ARG CB . 52947 1 81 . 1 . 1 20 20 ARG N N 15 117.8903 0.0000 . 1 . . 9819 . . 139 ARG N . 52947 1 82 . 1 . 1 21 21 GLU H H 1 7.8219 0.0000 . 1 . . 9509 . . 140 GLU H . 52947 1 83 . 1 . 1 21 21 GLU C C 13 179.1950 0.0000 . 1 . . 12082 . . 140 GLU C . 52947 1 84 . 1 . 1 21 21 GLU CA C 13 58.4879 0.0000 . 1 . . 9874 . . 140 GLU CA . 52947 1 85 . 1 . 1 21 21 GLU CB C 13 29.2200 0.0000 . 1 . . 7978 . . 140 GLU CB . 52947 1 86 . 1 . 1 21 21 GLU N N 15 122.2336 0.0000 . 1 . . 9510 . . 140 GLU N . 52947 1 87 . 1 . 1 22 22 LEU H H 1 7.9152 0.0000 . 1 . . 9860 . . 141 LEU H . 52947 1 88 . 1 . 1 22 22 LEU C C 13 177.8180 0.0000 . 1 . . 11989 . . 141 LEU C . 52947 1 89 . 1 . 1 22 22 LEU CA C 13 57.6310 0.0000 . 1 . . 9862 . . 141 LEU CA . 52947 1 90 . 1 . 1 22 22 LEU CB C 13 40.6900 0.0000 . 1 . . 7789 . . 141 LEU CB . 52947 1 91 . 1 . 1 22 22 LEU N N 15 121.0989 0.0000 . 1 . . 9861 . . 141 LEU N . 52947 1 92 . 1 . 1 23 23 TYR H H 1 8.4677 0.0000 . 1 . . 9218 . . 142 TYR H . 52947 1 93 . 1 . 1 23 23 TYR CA C 13 61.5440 0.0000 . 1 . . 7477 . . 142 TYR CA . 52947 1 94 . 1 . 1 23 23 TYR CB C 13 37.6860 0.0000 . 1 . . 7474 . . 142 TYR CB . 52947 1 95 . 1 . 1 23 23 TYR N N 15 118.7287 0.0000 . 1 . . 9219 . . 142 TYR N . 52947 1 96 . 1 . 1 24 24 ALA H H 1 8.0297 0.0000 . 1 . . 7460 . . 143 ALA H . 52947 1 97 . 1 . 1 24 24 ALA C C 13 180.5960 0.0000 . 1 . . 11863 . . 143 ALA C . 52947 1 98 . 1 . 1 24 24 ALA CA C 13 54.6620 0.0000 . 1 . . 7468 . . 143 ALA CA . 52947 1 99 . 1 . 1 24 24 ALA CB C 13 17.4450 0.0000 . 1 . . 7465 . . 143 ALA CB . 52947 1 100 . 1 . 1 24 24 ALA N N 15 118.6862 0.0000 . 1 . . 7461 . . 143 ALA N . 52947 1 101 . 1 . 1 25 25 LEU H H 1 7.5443 0.0000 . 1 . . 9176 . . 144 LEU H . 52947 1 102 . 1 . 1 25 25 LEU C C 13 177.8150 0.0000 . 1 . . 11827 . . 144 LEU C . 52947 1 103 . 1 . 1 25 25 LEU CA C 13 57.1980 0.0000 . 1 . . 7369 . . 144 LEU CA . 52947 1 104 . 1 . 1 25 25 LEU CB C 13 41.7850 0.0000 . 1 . . 7372 . . 144 LEU CB . 52947 1 105 . 1 . 1 25 25 LEU N N 15 117.8943 0.0000 . 1 . . 9177 . . 144 LEU N . 52947 1 106 . 1 . 1 26 26 PHE H H 1 7.7237 0.0000 . 1 . . . . . 145 PHE H . 52947 1 107 . 1 . 1 26 26 PHE C C 13 178.0500 0.0000 . 1 . . 13279 . . 145 PHE C . 52947 1 108 . 1 . 1 26 26 PHE CA C 13 60.8210 0.0000 . 1 . . 9526 . . 145 PHE CA . 52947 1 109 . 1 . 1 26 26 PHE CB C 13 38.5760 0.0000 . 1 . . 10663 . . 145 PHE CB . 52947 1 110 . 1 . 1 26 26 PHE N N 15 114.6625 0.0000 . 1 . . . . . 145 PHE N . 52947 1 111 . 1 . 1 27 27 ARG H H 1 9.4703 0.0000 . 1 . . 12092 . . 146 ARG H . 52947 1 112 . 1 . 1 27 27 ARG C C 13 176.8270 0.0000 . 1 . . 12094 . . 146 ARG C . 52947 1 113 . 1 . 1 27 27 ARG CA C 13 54.5470 0.0000 . 1 . . 7999 . . 146 ARG CA . 52947 1 114 . 1 . 1 27 27 ARG CB C 13 27.4800 0.0000 . 1 . . 7990 . . 146 ARG CB . 52947 1 115 . 1 . 1 27 27 ARG N N 15 122.5763 0.0000 . 1 . . 12093 . . 146 ARG N . 52947 1 116 . 1 . 1 28 28 ALA H H 1 6.7596 0.0000 . 1 . . 9191 . . 147 ALA H . 52947 1 117 . 1 . 1 28 28 ALA C C 13 179.0980 0.0000 . 1 . . 11848 . . 147 ALA C . 52947 1 118 . 1 . 1 28 28 ALA CA C 13 53.4070 0.0000 . 1 . . 9823 . . 147 ALA CA . 52947 1 119 . 1 . 1 28 28 ALA CB C 13 18.0270 0.0000 . 1 . . 7405 . . 147 ALA CB . 52947 1 120 . 1 . 1 28 28 ALA N N 15 117.9608 0.0000 . 1 . . 9192 . . 147 ALA N . 52947 1 121 . 1 . 1 29 29 ILE H H 1 7.8678 0.0000 . 1 . . 9092 . . 148 ILE H . 52947 1 122 . 1 . 1 29 29 ILE C C 13 176.1470 0.0000 . 1 . . 11770 . . 148 ILE C . 52947 1 123 . 1 . 1 29 29 ILE CA C 13 60.4450 0.0000 . 1 . . 7228 . . 148 ILE CA . 52947 1 124 . 1 . 1 29 29 ILE CB C 13 34.4020 0.0000 . 1 . . 7225 . . 148 ILE CB . 52947 1 125 . 1 . 1 29 29 ILE N N 15 116.3320 0.0000 . 1 . . 9093 . . 148 ILE N . 52947 1 126 . 1 . 1 30 30 GLY H H 1 7.2503 0.0000 . 1 . . 11561 . . 149 GLY H . 52947 1 127 . 1 . 1 30 30 GLY C C 13 169.1570 0.0000 . 1 . . 11560 . . 149 GLY C . 52947 1 128 . 1 . 1 30 30 GLY CA C 13 45.1145 0.0000 . 1 . . 6775 . . 149 GLY CA . 52947 1 129 . 1 . 1 30 30 GLY N N 15 105.7033 0.0000 . 1 . . 11562 . . 149 GLY N . 52947 1 130 . 1 . 1 31 31 PRO C C 13 176.0240 0.0000 . 1 . . 13291 . . 150 PRO C . 52947 1 131 . 1 . 1 31 31 PRO CA C 13 63.4680 0.0000 . 1 . . 9547 . . 150 PRO CA . 52947 1 132 . 1 . 1 31 31 PRO CB C 13 31.3420 0.0000 . 1 . . 8041 . . 150 PRO CB . 52947 1 133 . 1 . 1 32 32 ILE H H 1 8.2079 0.0000 . 1 . . 12110 . . 151 ILE H . 52947 1 134 . 1 . 1 32 32 ILE C C 13 175.7850 0.0000 . 1 . . 12112 . . 151 ILE C . 52947 1 135 . 1 . 1 32 32 ILE CA C 13 59.7850 0.0000 . 1 . . 8038 . . 151 ILE CA . 52947 1 136 . 1 . 1 32 32 ILE CB C 13 41.8070 0.0000 . 1 . . 8023 . . 151 ILE CB . 52947 1 137 . 1 . 1 32 32 ILE N N 15 123.1860 0.0000 . 1 . . 12111 . . 151 ILE N . 52947 1 138 . 1 . 1 33 33 ASN H H 1 9.0443 0.0000 . 1 . . 9578 . . 152 ASN H . 52947 1 139 . 1 . 1 33 33 ASN C C 13 174.9710 0.0000 . 1 . . 12139 . . 152 ASN C . 52947 1 140 . 1 . 1 33 33 ASN CA C 13 54.2410 0.0000 . 1 . . 8116 . . 152 ASN CA . 52947 1 141 . 1 . 1 33 33 ASN CB C 13 38.4570 0.0000 . 1 . . 8113 . . 152 ASN CB . 52947 1 142 . 1 . 1 33 33 ASN N N 15 124.3216 0.0000 . 1 . . 9579 . . 152 ASN N . 52947 1 143 . 1 . 1 34 34 THR H H 1 7.3292 0.0000 . 1 . . 8873 . . 153 THR H . 52947 1 144 . 1 . 1 34 34 THR C C 13 174.9430 0.0000 . 1 . . 11605 . . 153 THR C . 52947 1 145 . 1 . 1 34 34 THR CA C 13 60.1570 0.0000 . 1 . . 6850 . . 153 THR CA . 52947 1 146 . 1 . 1 34 34 THR CB C 13 71.7230 0.0000 . 1 . . 8446 . . 153 THR CB . 52947 1 147 . 1 . 1 34 34 THR N N 15 110.0288 0.0000 . 1 . . 8874 . . 153 THR N . 52947 1 148 . 1 . 1 35 35 CYS H H 1 8.6677 0.0000 . 1 . . 12119 . . 154 CYS H . 52947 1 149 . 1 . 1 35 35 CYS C C 13 172.2360 0.0000 . 1 . . 12121 . . 154 CYS C . 52947 1 150 . 1 . 1 35 35 CYS CA C 13 57.8280 0.0000 . 1 . . 9562 . . 154 CYS CA . 52947 1 151 . 1 . 1 35 35 CYS CB C 13 27.8000 0.0000 . 1 . . 8074 . . 154 CYS CB . 52947 1 152 . 1 . 1 35 35 CYS N N 15 123.8228 0.0000 . 1 . . 12120 . . 154 CYS N . 52947 1 153 . 1 . 1 36 36 ARG H H 1 8.6801 0.0000 . 1 . . 13325 . . 155 ARG H . 52947 1 154 . 1 . 1 36 36 ARG CA C 13 55.0014 0.0000 . 1 . . 9613 . . 155 ARG CA . 52947 1 155 . 1 . 1 36 36 ARG CB C 13 32.8300 0.0000 . 1 . . 8188 . . 155 ARG CB . 52947 1 156 . 1 . 1 36 36 ARG N N 15 125.6153 0.0000 . 1 . . 13326 . . 155 ARG N . 52947 1 157 . 1 . 1 37 37 ILE H H 1 8.6693 0.0000 . 1 . . 9638 . . 156 ILE H . 52947 1 158 . 1 . 1 37 37 ILE CA C 13 61.5040 0.0000 . 1 . . 8218 . . 156 ILE CA . 52947 1 159 . 1 . 1 37 37 ILE CB C 13 37.3460 0.0000 . 1 . . 8215 . . 156 ILE CB . 52947 1 160 . 1 . 1 37 37 ILE N N 15 126.1393 0.0000 . 1 . . 9639 . . 156 ILE N . 52947 1 161 . 1 . 1 38 38 MET H H 1 8.3837 0.0000 . 1 . . 9743 . . 157 MET H . 52947 1 162 . 1 . 1 38 38 MET CA C 13 54.0775 0.0000 . 1 . . 8392 . . 157 MET CA . 52947 1 163 . 1 . 1 38 38 MET CB C 13 29.6980 0.0000 . 1 . . 8389 . . 157 MET CB . 52947 1 164 . 1 . 1 38 38 MET N N 15 128.1099 0.0000 . 1 . . 9744 . . 157 MET N . 52947 1 165 . 1 . 1 39 39 ARG H H 1 7.9117 0.0000 . 1 . . . . . 158 ARG H . 52947 1 166 . 1 . 1 39 39 ARG CA C 13 53.3955 0.0000 . 1 . . . . . 158 ARG CA . 52947 1 167 . 1 . 1 39 39 ARG CB C 13 33.8130 0.0000 . 1 . . . . . 158 ARG CB . 52947 1 168 . 1 . 1 39 39 ARG N N 15 121.7887 0.0000 . 1 . . . . . 158 ARG N . 52947 1 169 . 1 . 1 40 40 ASP H H 1 8.0205 0.0000 . 1 . . . . . 159 ASP H . 52947 1 170 . 1 . 1 40 40 ASP C C 13 177.7680 0.0000 . 1 . . 13402 . . 159 ASP C . 52947 1 171 . 1 . 1 40 40 ASP CA C 13 53.5580 0.0000 . 1 . . 9751 . . 159 ASP CA . 52947 1 172 . 1 . 1 40 40 ASP CB C 13 42.3040 0.0000 . 1 . . 8404 . . 159 ASP CB . 52947 1 173 . 1 . 1 40 40 ASP N N 15 121.5997 0.0000 . 1 . . . . . 159 ASP N . 52947 1 174 . 1 . 1 41 41 TYR H H 1 8.8037 0.0000 . 1 . . 9746 . . 160 TYR H . 52947 1 175 . 1 . 1 41 41 TYR CA C 13 60.2230 0.0000 . 1 . . 8779 . . 160 TYR CA . 52947 1 176 . 1 . 1 41 41 TYR CB C 13 37.3810 0.0000 . 1 . . 8401 . . 160 TYR CB . 52947 1 177 . 1 . 1 41 41 TYR N N 15 128.2723 0.0000 . 1 . . 9747 . . 160 TYR N . 52947 1 178 . 1 . 1 42 42 LYS H H 1 8.2212 0.0000 . 1 . . 13097 . . 161 LYS H . 52947 1 179 . 1 . 1 42 42 LYS C C 13 178.4560 0.0000 . 1 . . 12889 . . 161 LYS C . 52947 1 180 . 1 . 1 42 42 LYS CA C 13 58.1520 0.0000 . 1 . . 7441 . . 161 LYS CA . 52947 1 181 . 1 . 1 42 42 LYS CB C 13 31.8090 0.0000 . 1 . . 7444 . . 161 LYS CB . 52947 1 182 . 1 . 1 42 42 LYS N N 15 118.3284 0.0000 . 1 . . 13098 . . 161 LYS N . 52947 1 183 . 1 . 1 43 43 THR H H 1 7.7103 0.0000 . 1 . . 12887 . . 162 THR H . 52947 1 184 . 1 . 1 43 43 THR CA C 13 61.4700 0.0000 . 1 . . 6781 . . 162 THR CA . 52947 1 185 . 1 . 1 43 43 THR CB C 13 70.8010 0.0000 . 1 . . 8443 . . 162 THR CB . 52947 1 186 . 1 . 1 43 43 THR N N 15 105.6975 0.0000 . 1 . . 12888 . . 162 THR N . 52947 1 187 . 1 . 1 44 44 GLY H H 1 8.1702 0.0000 . 1 . . 8900 . . 163 GLY H . 52947 1 188 . 1 . 1 44 44 GLY C C 13 173.8950 0.0000 . 1 . . 11620 . . 163 GLY C . 52947 1 189 . 1 . 1 44 44 GLY CA C 13 45.0470 0.0000 . 1 . . 6895 . . 163 GLY CA . 52947 1 190 . 1 . 1 44 44 GLY N N 15 110.9502 0.0000 . 1 . . 8901 . . 163 GLY N . 52947 1 191 . 1 . 1 45 45 TYR H H 1 7.7534 0.0000 . 1 . . 12023 . . 164 TYR H . 52947 1 192 . 1 . 1 45 45 TYR C C 13 175.4530 0.0000 . 1 . . 12034 . . 164 TYR C . 52947 1 193 . 1 . 1 45 45 TYR CA C 13 57.2790 0.0000 . 1 . . 7885 . . 164 TYR CA . 52947 1 194 . 1 . 1 45 45 TYR CB C 13 37.8570 0.0000 . 1 . . 7876 . . 164 TYR CB . 52947 1 195 . 1 . 1 45 45 TYR N N 15 121.6550 0.0000 . 1 . . 12024 . . 164 TYR N . 52947 1 196 . 1 . 1 46 46 SER H H 1 8.4542 0.0000 . 1 . . 11813 . . 165 SER H . 52947 1 197 . 1 . 1 46 46 SER C C 13 175.8350 0.0000 . 1 . . 11815 . . 165 SER C . 52947 1 198 . 1 . 1 46 46 SER CA C 13 57.0000 0.0000 . 1 . . 9793 . . 165 SER CA . 52947 1 199 . 1 . 1 46 46 SER CB C 13 63.9510 0.0000 . 1 . . 7339 . . 165 SER CB . 52947 1 200 . 1 . 1 46 46 SER N N 15 117.5192 0.0000 . 1 . . 11814 . . 165 SER N . 52947 1 201 . 1 . 1 47 47 PHE H H 1 9.0090 0.0000 . 1 . . 9887 . . 166 PHE H . 52947 1 202 . 1 . 1 47 47 PHE C C 13 177.7190 0.0000 . 1 . . 12136 . . 166 PHE C . 52947 1 203 . 1 . 1 47 47 PHE CA C 13 56.2120 0.0000 . 1 . . 9889 . . 166 PHE CA . 52947 1 204 . 1 . 1 47 47 PHE CB C 13 38.4060 0.0000 . 1 . . 8737 . . 166 PHE CB . 52947 1 205 . 1 . 1 47 47 PHE N N 15 124.2607 0.0000 . 1 . . 9888 . . 166 PHE N . 52947 1 206 . 1 . 1 48 48 GLY H H 1 9.0745 0.0000 . 1 . . 8828 . . 167 GLY H . 52947 1 207 . 1 . 1 48 48 GLY C C 13 172.0820 0.0000 . 1 . . 11566 . . 167 GLY C . 52947 1 208 . 1 . 1 48 48 GLY CA C 13 45.5260 0.0000 . 1 . . 6796 . . 167 GLY CA . 52947 1 209 . 1 . 1 48 48 GLY N N 15 106.2181 0.0000 . 1 . . 8829 . . 167 GLY N . 52947 1 210 . 1 . 1 49 49 TYR H H 1 7.1082 0.0000 . 1 . . 8921 . . 168 TYR H . 52947 1 211 . 1 . 1 49 49 TYR C C 13 171.8950 0.0000 . 1 . . 11638 . . 168 TYR C . 52947 1 212 . 1 . 1 49 49 TYR CA C 13 54.4890 0.0000 . 1 . . 6934 . . 168 TYR CA . 52947 1 213 . 1 . 1 49 49 TYR CB C 13 40.0890 0.0000 . 1 . . 6931 . . 168 TYR CB . 52947 1 214 . 1 . 1 49 49 TYR N N 15 112.5539 0.0000 . 1 . . 8922 . . 168 TYR N . 52947 1 215 . 1 . 1 50 50 ALA H H 1 8.8300 0.0000 . 1 . . . . . 169 ALA H . 52947 1 216 . 1 . 1 50 50 ALA C C 13 171.8720 0.0000 . 1 . . . . . 169 ALA C . 52947 1 217 . 1 . 1 50 50 ALA CA C 13 49.3250 0.0000 . 1 . . . . . 169 ALA CA . 52947 1 218 . 1 . 1 50 50 ALA CB C 13 26.4870 0.0000 . 1 . . . . . 169 ALA CB . 52947 1 219 . 1 . 1 50 50 ALA N N 15 120.3350 0.0000 . 1 . . . . . 169 ALA N . 52947 1 220 . 1 . 1 51 51 PHE H H 1 8.1310 0.0000 . 1 . . . . . 170 PHE H . 52947 1 221 . 1 . 1 51 51 PHE C C 13 174.5000 0.0000 . 1 . . . . . 170 PHE C . 52947 1 222 . 1 . 1 51 51 PHE CA C 13 55.9800 0.0000 . 1 . . . . . 170 PHE CA . 52947 1 223 . 1 . 1 51 51 PHE CB C 13 41.6010 0.0000 . 1 . . . . . 170 PHE CB . 52947 1 224 . 1 . 1 51 51 PHE N N 15 115.3750 0.0000 . 1 . . . . . 170 PHE N . 52947 1 225 . 1 . 1 52 52 VAL H H 1 8.7540 0.0000 . 1 . . . . . 171 VAL H . 52947 1 226 . 1 . 1 52 52 VAL C C 13 172.5500 0.0000 . 1 . . 17208 . . 171 VAL C . 52947 1 227 . 1 . 1 52 52 VAL CA C 13 60.8920 0.0000 . 1 . . 17204 . . 171 VAL CA . 52947 1 228 . 1 . 1 52 52 VAL CB C 13 34.1960 0.0000 . 1 . . 17214 . . 171 VAL CB . 52947 1 229 . 1 . 1 52 52 VAL N N 15 123.1620 0.0000 . 1 . . . . . 171 VAL N . 52947 1 230 . 1 . 1 53 53 ASP H H 1 8.7435 0.0000 . 1 . . 9686 . . 172 ASP H . 52947 1 231 . 1 . 1 53 53 ASP CA C 13 52.1300 0.0000 . 1 . . 9685 . . 172 ASP CA . 52947 1 232 . 1 . 1 53 53 ASP CB C 13 43.1482 0.0000 . 1 . . 8284 . . 172 ASP CB . 52947 1 233 . 1 . 1 53 53 ASP N N 15 126.5318 0.0000 . 1 . . 9687 . . 172 ASP N . 52947 1 234 . 1 . 1 54 54 PHE H H 1 8.2122 0.0000 . 1 . . 13415 . . 173 PHE H . 52947 1 235 . 1 . 1 54 54 PHE CA C 13 59.4630 0.0000 . 1 . . 9907 . . 173 PHE CA . 52947 1 236 . 1 . 1 54 54 PHE CB C 13 40.0990 0.0000 . 1 . . 8788 . . 173 PHE CB . 52947 1 237 . 1 . 1 54 54 PHE N N 15 124.9657 0.0000 . 1 . . 13416 . . 173 PHE N . 52947 1 238 . 1 . 1 55 55 THR H H 1 8.1132 0.0000 . 1 . . 11621 . . 174 THR H . 52947 1 239 . 1 . 1 55 55 THR C C 13 174.9460 0.0000 . 1 . . 11623 . . 174 THR C . 52947 1 240 . 1 . 1 55 55 THR CA C 13 64.7650 0.0000 . 1 . . 6898 . . 174 THR CA . 52947 1 241 . 1 . 1 55 55 THR CB C 13 68.6410 0.0000 . 1 . . 6901 . . 174 THR CB . 52947 1 242 . 1 . 1 55 55 THR N N 15 111.6676 0.0000 . 1 . . 11622 . . 174 THR N . 52947 1 243 . 1 . 1 56 56 SER H H 1 8.7017 0.0000 . 1 . . 11675 . . 175 SER H . 52947 1 244 . 1 . 1 56 56 SER C C 13 175.6630 0.0000 . 1 . . 11677 . . 175 SER C . 52947 1 245 . 1 . 1 56 56 SER CA C 13 55.4310 0.0000 . 1 . . 8986 . . 175 SER CA . 52947 1 246 . 1 . 1 56 56 SER CB C 13 64.7520 0.0000 . 1 . . 7048 . . 175 SER CB . 52947 1 247 . 1 . 1 56 56 SER N N 15 114.0818 0.0000 . 1 . . 11676 . . 175 SER N . 52947 1 248 . 1 . 1 57 57 GLU H H 1 9.4219 0.0000 . 1 . . 9734 . . 176 GLU H . 52947 1 249 . 1 . 1 57 57 GLU C C 13 178.4180 0.0000 . 1 . . 12226 . . 176 GLU C . 52947 1 250 . 1 . 1 57 57 GLU CA C 13 58.2695 0.0000 . 1 . . 8377 . . 176 GLU CA . 52947 1 251 . 1 . 1 57 57 GLU CB C 13 28.3550 0.0000 . 1 . . 8380 . . 176 GLU CB . 52947 1 252 . 1 . 1 57 57 GLU N N 15 127.9249 0.0000 . 1 . . 9735 . . 176 GLU N . 52947 1 253 . 1 . 1 58 58 MET H H 1 8.2985 0.0000 . 1 . . . . . 177 MET H . 52947 1 254 . 1 . 1 58 58 MET C C 13 178.8630 0.0000 . 1 . . . . . 177 MET C . 52947 1 255 . 1 . 1 58 58 MET CA C 13 57.7640 0.0000 . 1 . . 17328 . . 177 MET CA . 52947 1 256 . 1 . 1 58 58 MET CB C 13 30.8600 0.0000 . 1 . . . . . 177 MET CB . 52947 1 257 . 1 . 1 58 58 MET N N 15 118.9890 0.0000 . 1 . . . . . 177 MET N . 52947 1 258 . 1 . 1 59 59 ASP H H 1 7.2357 0.0000 . 1 . . 11921 . . 178 ASP H . 52947 1 259 . 1 . 1 59 59 ASP C C 13 177.0940 0.0000 . 1 . . 17315 . . 178 ASP C . 52947 1 260 . 1 . 1 59 59 ASP CA C 13 56.3520 0.0000 . 1 . . 7654 . . 178 ASP CA . 52947 1 261 . 1 . 1 59 59 ASP CB C 13 38.8590 0.0000 . 1 . . 17319 . . 178 ASP CB . 52947 1 262 . 1 . 1 59 59 ASP N N 15 120.2140 0.0000 . 1 . . 11922 . . 178 ASP N . 52947 1 263 . 1 . 1 60 60 SER H H 1 7.6629 0.0000 . 1 . . 9086 . . 179 SER H . 52947 1 264 . 1 . 1 60 60 SER C C 13 177.0760 0.0000 . 1 . . 11761 . . 179 SER C . 52947 1 265 . 1 . 1 60 60 SER CA C 13 61.8785 0.0000 . 1 . . 7216 . . 179 SER CA . 52947 1 266 . 1 . 1 60 60 SER N N 15 116.1995 0.0000 . 1 . . 9087 . . 179 SER N . 52947 1 267 . 1 . 1 61 61 GLN H H 1 7.5913 0.0000 . 1 . . 9239 . . 180 GLN H . 52947 1 268 . 1 . 1 61 61 GLN C C 13 179.1210 0.0000 . 1 . . 13198 . . 180 GLN C . 52947 1 269 . 1 . 1 61 61 GLN CA C 13 58.6080 0.0000 . 1 . . 9376 . . 180 GLN CA . 52947 1 270 . 1 . 1 61 61 GLN CB C 13 27.8380 0.0000 . 1 . . 10507 . . 180 GLN CB . 52947 1 271 . 1 . 1 61 61 GLN N N 15 118.9587 0.0000 . 1 . . 9240 . . 180 GLN N . 52947 1 272 . 1 . 1 62 62 ARG H H 1 7.5594 0.0000 . 1 . . 9851 . . 181 ARG H . 52947 1 273 . 1 . 1 62 62 ARG C C 13 177.4070 0.0000 . 1 . . 11959 . . 181 ARG C . 52947 1 274 . 1 . 1 62 62 ARG CA C 13 58.8410 0.0000 . 1 . . 7738 . . 181 ARG CA . 52947 1 275 . 1 . 1 62 62 ARG CB C 13 29.1060 0.0000 . 1 . . 7729 . . 181 ARG CB . 52947 1 276 . 1 . 1 62 62 ARG N N 15 120.5250 0.0000 . 1 . . 9852 . . 181 ARG N . 52947 1 277 . 1 . 1 63 63 ALA H H 1 8.3639 0.0000 . 1 . . 9359 . . 182 ALA H . 52947 1 278 . 1 . 1 63 63 ALA C C 13 179.5380 0.0000 . 1 . . 11947 . . 182 ALA C . 52947 1 279 . 1 . 1 63 63 ALA CA C 13 54.9360 0.0000 . 1 . . 9364 . . 182 ALA CA . 52947 1 280 . 1 . 1 63 63 ALA CB C 13 18.7860 0.0000 . 1 . . 7708 . . 182 ALA CB . 52947 1 281 . 1 . 1 63 63 ALA N N 15 120.4729 0.0000 . 1 . . 9360 . . 182 ALA N . 52947 1 282 . 1 . 1 64 64 ILE H H 1 7.4534 0.0000 . 1 . . 9110 . . 183 ILE H . 52947 1 283 . 1 . 1 64 64 ILE C C 13 177.8610 0.0000 . 1 . . 11782 . . 183 ILE C . 52947 1 284 . 1 . 1 64 64 ILE CA C 13 65.6620 0.0000 . 1 . . 9112 . . 183 ILE CA . 52947 1 285 . 1 . 1 64 64 ILE CB C 13 37.6990 0.0000 . 1 . . 7258 . . 183 ILE CB . 52947 1 286 . 1 . 1 64 64 ILE N N 15 116.5924 0.0000 . 1 . . 9111 . . 183 ILE N . 52947 1 287 . 1 . 1 65 65 LYS H H 1 7.3183 0.0000 . 1 . . 9164 . . 184 LYS H . 52947 1 288 . 1 . 1 65 65 LYS C C 13 178.8998 0.0000 . 1 . . 11818 . . 184 LYS C . 52947 1 289 . 1 . 1 65 65 LYS CA C 13 58.8560 0.0000 . 1 . . 7351 . . 184 LYS CA . 52947 1 290 . 1 . 1 65 65 LYS CB C 13 31.7840 0.0000 . 1 . . 7348 . . 184 LYS CB . 52947 1 291 . 1 . 1 65 65 LYS N N 15 117.7138 0.0000 . 1 . . 9165 . . 184 LYS N . 52947 1 292 . 1 . 1 66 66 VAL H H 1 8.4846 0.0000 . 1 . . 12284 . . 185 VAL H . 52947 1 293 . 1 . 1 66 66 VAL C C 13 177.4730 0.0000 . 1 . . 11707 . . 185 VAL C . 52947 1 294 . 1 . 1 66 66 VAL CA C 13 64.1000 0.0000 . 1 . . 9025 . . 185 VAL CA . 52947 1 295 . 1 . 1 66 66 VAL CB C 13 32.4810 0.0000 . 1 . . 7099 . . 185 VAL CB . 52947 1 296 . 1 . 1 66 66 VAL N N 15 114.9951 0.0000 . 1 . . 12285 . . 185 VAL N . 52947 1 297 . 1 . 1 67 67 LEU H H 1 8.3772 0.0000 . 1 . . 9131 . . 186 LEU H . 52947 1 298 . 1 . 1 67 67 LEU C C 13 177.5050 0.0000 . 1 . . 11800 . . 186 LEU C . 52947 1 299 . 1 . 1 67 67 LEU CA C 13 54.8090 0.0000 . 1 . . 7285 . . 186 LEU CA . 52947 1 300 . 1 . 1 67 67 LEU CB C 13 41.6480 0.0000 . 1 . . 7282 . . 186 LEU CB . 52947 1 301 . 1 . 1 67 67 LEU N N 15 116.7889 0.0000 . 1 . . 9132 . . 186 LEU N . 52947 1 302 . 1 . 1 68 68 ASN H H 1 7.5300 0.0000 . 1 . . 9017 . . 187 ASN H . 52947 1 303 . 1 . 1 68 68 ASN C C 13 176.9670 0.0000 . 1 . . 11704 . . 187 ASN C . 52947 1 304 . 1 . 1 68 68 ASN CA C 13 56.2190 0.0000 . 1 . . 9022 . . 187 ASN CA . 52947 1 305 . 1 . 1 68 68 ASN CB C 13 38.7900 0.0000 . 1 . . 7090 . . 187 ASN CB . 52947 1 306 . 1 . 1 68 68 ASN N N 15 114.9753 0.0000 . 1 . . 9018 . . 187 ASN N . 52947 1 307 . 1 . 1 69 69 GLY H H 1 8.6670 0.0000 . 1 . . 9095 . . 188 GLY H . 52947 1 308 . 1 . 1 69 69 GLY C C 13 174.2230 0.0000 . 1 . . 11767 . . 188 GLY C . 52947 1 309 . 1 . 1 69 69 GLY CA C 13 45.2840 0.0000 . 1 . . 7234 . . 188 GLY CA . 52947 1 310 . 1 . 1 69 69 GLY N N 15 116.3594 0.0000 . 1 . . 9096 . . 188 GLY N . 52947 1 311 . 1 . 1 70 70 ILE H H 1 7.6266 0.0000 . 1 . . 9275 . . 189 ILE H . 52947 1 312 . 1 . 1 70 70 ILE CA C 13 61.3600 0.0000 . 1 . . 9280 . . 189 ILE CA . 52947 1 313 . 1 . 1 70 70 ILE CB C 13 37.8160 0.0000 . 1 . . 7564 . . 189 ILE CB . 52947 1 314 . 1 . 1 70 70 ILE N N 15 119.4865 0.0000 . 1 . . 9276 . . 189 ILE N . 52947 1 315 . 1 . 1 71 71 THR H H 1 8.0959 0.0000 . 1 . . 9209 . . 190 THR H . 52947 1 316 . 1 . 1 71 71 THR C C 13 175.2420 0.0000 . 1 . . 11860 . . 190 THR C . 52947 1 317 . 1 . 1 71 71 THR CA C 13 61.2000 0.0000 . 1 . . 7456 . . 190 THR CA . 52947 1 318 . 1 . 1 71 71 THR CB C 13 69.0150 0.0000 . 1 . . 7453 . . 190 THR CB . 52947 1 319 . 1 . 1 71 71 THR N N 15 118.6090 0.0000 . 1 . . 9210 . . 190 THR N . 52947 1 320 . 1 . 1 72 72 VAL H H 1 9.0302 0.0000 . 1 . . 12260 . . 191 VAL H . 52947 1 321 . 1 . 1 72 72 VAL C C 13 174.3400 0.0000 . 1 . . 12208 . . 191 VAL C . 52947 1 322 . 1 . 1 72 72 VAL CA C 13 61.1250 0.0000 . 1 . . 8341 . . 191 VAL CA . 52947 1 323 . 1 . 1 72 72 VAL CB C 13 33.4240 0.0000 . 1 . . 8344 . . 191 VAL CB . 52947 1 324 . 1 . 1 72 72 VAL N N 15 127.4659 0.0000 . 1 . . 12261 . . 191 VAL N . 52947 1 325 . 1 . 1 73 73 ARG H H 1 9.2097 0.0000 . 1 . . 9572 . . 192 ARG H . 52947 1 326 . 1 . 1 73 73 ARG C C 13 175.4940 0.0000 . 1 . . . . . 192 ARG C . 52947 1 327 . 1 . 1 73 73 ARG CA C 13 58.1405 0.0000 . 1 . . 8098 . . 192 ARG CA . 52947 1 328 . 1 . 1 73 73 ARG CB C 13 27.3800 0.0000 . 1 . . . . . 192 ARG CB . 52947 1 329 . 1 . 1 73 73 ARG N N 15 124.1954 0.0000 . 1 . . 9573 . . 192 ARG N . 52947 1 330 . 1 . 1 74 74 ASN H H 1 8.4371 0.0000 . 1 . . . . . 193 ASN H . 52947 1 331 . 1 . 1 74 74 ASN C C 13 174.1440 0.0000 . 1 . . 13216 . . 193 ASN C . 52947 1 332 . 1 . 1 74 74 ASN CA C 13 54.4669 0.0000 . 1 . . 9409 . . 193 ASN CA . 52947 1 333 . 1 . 1 74 74 ASN CB C 13 37.4240 0.0000 . 1 . . 10546 . . 193 ASN CB . 52947 1 334 . 1 . 1 74 74 ASN N N 15 109.6406 0.0000 . 1 . . . . . 193 ASN N . 52947 1 335 . 1 . 1 75 75 LYS H H 1 8.1282 0.0000 . 1 . . 9863 . . 194 LYS H . 52947 1 336 . 1 . 1 75 75 LYS C C 13 174.5170 0.0000 . 1 . . 11995 . . 194 LYS C . 52947 1 337 . 1 . 1 75 75 LYS CA C 13 53.4600 0.0000 . 1 . . 7795 . . 194 LYS CA . 52947 1 338 . 1 . 1 75 75 LYS CB C 13 32.4850 0.0000 . 1 . . 7792 . . 194 LYS CB . 52947 1 339 . 1 . 1 75 75 LYS N N 15 121.1852 0.0000 . 1 . . 9864 . . 194 LYS N . 52947 1 340 . 1 . 1 76 76 ARG H H 1 8.0653 0.0000 . 1 . . 12068 . . 195 ARG H . 52947 1 341 . 1 . 1 76 76 ARG C C 13 175.9740 0.0000 . 1 . . 12067 . . 195 ARG C . 52947 1 342 . 1 . 1 76 76 ARG CA C 13 54.2930 0.0000 . 1 . . 9499 . . 195 ARG CA . 52947 1 343 . 1 . 1 76 76 ARG CB C 13 29.5010 0.0000 . 1 . . 7942 . . 195 ARG CB . 52947 1 344 . 1 . 1 76 76 ARG N N 15 122.0837 0.0000 . 1 . . 12069 . . 195 ARG N . 52947 1 345 . 1 . 1 77 77 LEU H H 1 8.8300 0.0000 . 1 . . 9629 . . 196 LEU H . 52947 1 346 . 1 . 1 77 77 LEU C C 13 177.5220 0.0000 . 1 . . 12169 . . 196 LEU C . 52947 1 347 . 1 . 1 77 77 LEU CA C 13 55.3505 0.0000 . 1 . . 8209 . . 196 LEU CA . 52947 1 348 . 1 . 1 77 77 LEU CB C 13 41.5300 0.0000 . 1 . . 8206 . . 196 LEU CB . 52947 1 349 . 1 . 1 77 77 LEU N N 15 125.7689 0.0000 . 1 . . 9630 . . 196 LEU N . 52947 1 350 . 1 . 1 78 78 LYS H H 1 8.2129 0.0000 . 1 . . 12089 . . 197 LYS H . 52947 1 351 . 1 . 1 78 78 LYS C C 13 175.2790 0.0000 . 1 . . 13393 . . 197 LYS C . 52947 1 352 . 1 . 1 78 78 LYS CA C 13 54.0530 0.0000 . 1 . . 14058 . . 197 LYS CA . 52947 1 353 . 1 . 1 78 78 LYS CB C 13 35.3210 0.0000 . 1 . . 8773 . . 197 LYS CB . 52947 1 354 . 1 . 1 78 78 LYS N N 15 122.5572 0.0000 . 1 . . 12090 . . 197 LYS N . 52947 1 355 . 1 . 1 79 79 VAL H H 1 8.9091 0.0000 . 1 . . 12221 . . 198 VAL H . 52947 1 356 . 1 . 1 79 79 VAL C C 13 173.8340 0.0000 . 1 . . 12223 . . 198 VAL C . 52947 1 357 . 1 . 1 79 79 VAL CA C 13 60.9420 0.0000 . 1 . . 9733 . . 198 VAL CA . 52947 1 358 . 1 . 1 79 79 VAL CB C 13 33.6240 0.0000 . 1 . . 8371 . . 198 VAL CB . 52947 1 359 . 1 . 1 79 79 VAL N N 15 127.7713 0.0000 . 1 . . 12222 . . 198 VAL N . 52947 1 360 . 1 . 1 80 80 SER H H 1 8.6037 0.0000 . 1 . . 9230 . . 199 SER H . 52947 1 361 . 1 . 1 80 80 SER C C 13 172.7913 0.0000 . 1 . . 11875 . . 199 SER C . 52947 1 362 . 1 . 1 80 80 SER CA C 13 56.3570 0.0000 . 1 . . 7489 . . 199 SER CA . 52947 1 363 . 1 . 1 80 80 SER CB C 13 65.5050 0.0000 . 1 . . 7492 . . 199 SER CB . 52947 1 364 . 1 . 1 80 80 SER N N 15 118.8843 0.0000 . 1 . . 9231 . . 199 SER N . 52947 1 365 . 1 . 1 81 81 TYR H H 1 8.4013 0.0000 . 1 . . 12290 . . 200 TYR H . 52947 1 366 . 1 . 1 81 81 TYR C C 13 177.0950 0.0000 . 1 . . 11887 . . 200 TYR C . 52947 1 367 . 1 . 1 81 81 TYR CA C 13 60.2520 0.0000 . 1 . . 9250 . . 200 TYR CA . 52947 1 368 . 1 . 1 81 81 TYR CB C 13 37.8020 0.0000 . 1 . . 7519 . . 200 TYR CB . 52947 1 369 . 1 . 1 81 81 TYR N N 15 119.1730 0.0000 . 1 . . 12291 . . 200 TYR N . 52947 1 370 . 1 . 1 82 82 ALA H H 1 8.8801 0.0000 . 1 . . 9776 . . 201 ALA H . 52947 1 371 . 1 . 1 82 82 ALA C C 13 177.1500 0.0000 . 1 . . 12160 . . 201 ALA C . 52947 1 372 . 1 . 1 82 82 ALA CA C 13 52.1019 0.0000 . 1 . . 8182 . . 201 ALA CA . 52947 1 373 . 1 . 1 82 82 ALA CB C 13 18.6870 0.0000 . 1 . . 8179 . . 201 ALA CB . 52947 1 374 . 1 . 1 82 82 ALA N N 15 125.6187 0.0000 . 1 . . 9777 . . 201 ALA N . 52947 1 375 . 1 . 1 84 84 PRO C C 13 177.7180 0.0000 . 1 . . 12910 . . 203 PRO C . 52947 1 376 . 1 . 1 84 84 PRO CA C 13 63.1910 0.0000 . 1 . . 8857 . . 203 PRO CA . 52947 1 377 . 1 . 1 84 84 PRO CB C 13 31.1630 0.0000 . 1 . . 8857 . . 203 PRO CB . 52947 1 378 . 1 . 1 85 85 GLY H H 1 8.5758 0.0000 . 1 . . 8858 . . 204 GLY H . 52947 1 379 . 1 . 1 85 85 GLY C C 13 175.0180 0.0000 . 1 . . 11593 . . 204 GLY C . 52947 1 380 . 1 . 1 85 85 GLY CA C 13 44.9640 0.0000 . 1 . . 6832 . . 204 GLY CA . 52947 1 381 . 1 . 1 85 85 GLY N N 15 109.7584 0.0000 . 1 . . 8859 . . 204 GLY N . 52947 1 382 . 1 . 1 86 86 GLY H H 1 8.2636 0.0000 . 1 . . 8849 . . 205 GLY H . 52947 1 383 . 1 . 1 86 86 GLY C C 13 174.4980 0.0000 . 1 . . 11584 . . 205 GLY C . 52947 1 384 . 1 . 1 86 86 GLY CA C 13 45.0040 0.0000 . 1 . . 13848 . . 205 GLY CA . 52947 1 385 . 1 . 1 86 86 GLY N N 15 108.7771 0.0000 . 1 . . 8850 . . 205 GLY N . 52947 1 386 . 1 . 1 87 87 GLU H H 1 8.4616 0.0000 . 1 . . 13187 . . 206 GLU H . 52947 1 387 . 1 . 1 87 87 GLU C C 13 176.8290 0.0000 . 1 . . 11950 . . 206 GLU C . 52947 1 388 . 1 . 1 87 87 GLU CA C 13 56.3720 0.0000 . 1 . . 9796 . . 206 GLU CA . 52947 1 389 . 1 . 1 87 87 GLU CB C 13 29.3050 0.0000 . 1 . . 7711 . . 206 GLU CB . 52947 1 390 . 1 . 1 87 87 GLU N N 15 120.4721 0.0000 . 1 . . 13188 . . 206 GLU N . 52947 1 391 . 1 . 1 88 88 SER H H 1 8.4473 0.0000 . 1 . . 11753 . . 207 SER H . 52947 1 392 . 1 . 1 88 88 SER C C 13 175.3100 0.0000 . 1 . . 11755 . . 207 SER C . 52947 1 393 . 1 . 1 88 88 SER CA C 13 58.2125 0.0000 . 1 . . 7204 . . 207 SER CA . 52947 1 394 . 1 . 1 88 88 SER CB C 13 63.5110 0.0000 . 1 . . 7207 . . 207 SER CB . 52947 1 395 . 1 . 1 88 88 SER N N 15 116.0837 0.0000 . 1 . . 11754 . . 207 SER N . 52947 1 396 . 1 . 1 89 89 ILE H H 1 8.1621 0.0000 . 1 . . . . . 208 ILE H . 52947 1 397 . 1 . 1 89 89 ILE C C 13 176.6890 0.0000 . 1 . . 13300 . . 208 ILE C . 52947 1 398 . 1 . 1 89 89 ILE CA C 13 61.6220 0.0000 . 1 . . 9559 . . 208 ILE CA . 52947 1 399 . 1 . 1 89 89 ILE CB C 13 37.3550 0.0000 . 1 . . 10705 . . 208 ILE CB . 52947 1 400 . 1 . 1 89 89 ILE N N 15 122.3415 0.0000 . 1 . . . . . 208 ILE N . 52947 1 401 . 1 . 1 90 90 LYS H H 1 8.0833 0.0000 . 1 . . 9557 . . 209 LYS H . 52947 1 402 . 1 . 1 90 90 LYS C C 13 176.7890 0.0000 . 1 . . 13051 . . 209 LYS C . 52947 1 403 . 1 . 1 90 90 LYS CA C 13 57.1670 0.0000 . 1 . . 9139 . . 209 LYS CA . 52947 1 404 . 1 . 1 90 90 LYS CB C 13 31.8690 0.0000 . 1 . . 10240 . . 209 LYS CB . 52947 1 405 . 1 . 1 90 90 LYS N N 15 123.3407 0.0000 . 1 . . 9558 . . 209 LYS N . 52947 1 406 . 1 . 1 91 91 ASP H H 1 8.2725 0.0000 . 1 . . 13049 . . 210 ASP H . 52947 1 407 . 1 . 1 91 91 ASP C C 13 175.2070 0.0000 . 1 . . 11803 . . 210 ASP C . 52947 1 408 . 1 . 1 91 91 ASP CA C 13 54.8920 0.0000 . 1 . . 7300 . . 210 ASP CA . 52947 1 409 . 1 . 1 91 91 ASP CB C 13 39.7800 0.0000 . 1 . . 7297 . . 210 ASP CB . 52947 1 410 . 1 . 1 91 91 ASP N N 15 117.0718 0.0000 . 1 . . 13050 . . 210 ASP N . 52947 1 411 . 1 . 1 92 92 THR H H 1 7.5918 0.0000 . 1 . . 8807 . . 211 THR H . 52947 1 412 . 1 . 1 92 92 THR C C 13 173.7320 0.0000 . 1 . . 11557 . . 211 THR C . 52947 1 413 . 1 . 1 92 92 THR CA C 13 61.0170 0.0000 . 1 . . 8809 . . 211 THR CA . 52947 1 414 . 1 . 1 92 92 THR CB C 13 70.0700 0.0000 . 1 . . 6766 . . 211 THR CB . 52947 1 415 . 1 . 1 92 92 THR N N 15 103.9538 0.0000 . 1 . . 8808 . . 211 THR N . 52947 1 416 . 1 . 1 93 93 ASN H H 1 7.9265 0.0000 . 1 . . 9335 . . 212 ASN H . 52947 1 417 . 1 . 1 93 93 ASN CA C 13 52.2400 0.0000 . 1 . . 7663 . . 212 ASN CA . 52947 1 418 . 1 . 1 93 93 ASN CB C 13 40.5900 0.0000 . 1 . . 7660 . . 212 ASN CB . 52947 1 419 . 1 . 1 93 93 ASN N N 15 120.2216 0.0000 . 1 . . 9336 . . 212 ASN N . 52947 1 420 . 1 . 1 94 94 LEU H H 1 9.6667 0.0000 . 1 . . 13361 . . 213 LEU H . 52947 1 421 . 1 . 1 94 94 LEU CA C 13 53.3910 0.0000 . 1 . . 9679 . . 213 LEU CA . 52947 1 422 . 1 . 1 94 94 LEU CB C 13 43.2390 0.0000 . 1 . . 8278 . . 213 LEU CB . 52947 1 423 . 1 . 1 94 94 LEU N N 15 126.4737 0.0000 . 1 . . 13362 . . 213 LEU N . 52947 1 424 . 1 . 1 95 95 TYR H H 1 9.3001 0.0000 . 1 . . 12062 . . 214 TYR H . 52947 1 425 . 1 . 1 95 95 TYR C C 13 174.1050 0.0000 . 1 . . 12064 . . 214 TYR C . 52947 1 426 . 1 . 1 95 95 TYR CA C 13 55.7480 0.0000 . 1 . . 7948 . . 214 TYR CA . 52947 1 427 . 1 . 1 95 95 TYR CB C 13 40.1630 0.0000 . 1 . . 7939 . . 214 TYR CB . 52947 1 428 . 1 . 1 95 95 TYR N N 15 122.0774 0.0000 . 1 . . 12063 . . 214 TYR N . 52947 1 429 . 1 . 1 96 96 VAL H H 1 8.7040 0.0000 . 1 . . 9764 . . 215 VAL H . 52947 1 430 . 1 . 1 96 96 VAL C C 13 174.3990 0.0000 . 1 . . 12241 . . 215 VAL C . 52947 1 431 . 1 . 1 96 96 VAL CA C 13 59.6062 0.0000 . 1 . . 8428 . . 215 VAL CA . 52947 1 432 . 1 . 1 96 96 VAL CB C 13 33.4240 0.0000 . 1 . . 8431 . . 215 VAL CB . 52947 1 433 . 1 . 1 96 96 VAL N N 15 129.7126 0.0000 . 1 . . 9765 . . 215 VAL N . 52947 1 434 . 1 . 1 97 97 THR H H 1 8.8081 0.0000 . 1 . . 9002 . . 216 THR H . 52947 1 435 . 1 . 1 97 97 THR C C 13 173.4840 0.0000 . 1 . . 11692 . . 216 THR C . 52947 1 436 . 1 . 1 97 97 THR CA C 13 59.0890 0.0000 . 1 . . 9004 . . 216 THR CA . 52947 1 437 . 1 . 1 97 97 THR CB C 13 70.7642 0.0000 . 1 . . 8455 . . 216 THR CB . 52947 1 438 . 1 . 1 97 97 THR N N 15 114.5973 0.0000 . 1 . . 9003 . . 216 THR N . 52947 1 439 . 1 . 1 98 98 ASN H H 1 8.3222 0.0000 . 1 . . 8933 . . 217 ASN H . 52947 1 440 . 1 . 1 98 98 ASN C C 13 176.0280 0.0000 . 1 . . 11644 . . 217 ASN C . 52947 1 441 . 1 . 1 98 98 ASN CA C 13 53.4160 0.0000 . 1 . . 8935 . . 217 ASN CA . 52947 1 442 . 1 . 1 98 98 ASN CB C 13 36.6950 0.0000 . 1 . . 6961 . . 217 ASN CB . 52947 1 443 . 1 . 1 98 98 ASN N N 15 113.1348 0.0000 . 1 . . 8934 . . 217 ASN N . 52947 1 444 . 1 . 1 99 99 LEU H H 1 8.2049 0.0000 . 1 . . 9809 . . 218 LEU H . 52947 1 445 . 1 . 1 99 99 LEU C C 13 174.2050 0.0000 . 1 . . 11806 . . 218 LEU C . 52947 1 446 . 1 . 1 99 99 LEU CA C 13 53.3743 0.0000 . 1 . . 7309 . . 218 LEU CA . 52947 1 447 . 1 . 1 99 99 LEU CB C 13 40.0530 0.0000 . 1 . . 7306 . . 218 LEU CB . 52947 1 448 . 1 . 1 99 99 LEU N N 15 117.2664 0.0000 . 1 . . 9810 . . 218 LEU N . 52947 1 449 . 1 . 1 100 100 PRO C C 13 177.8710 0.0000 . 1 . . 13168 . . 219 PRO C . 52947 1 450 . 1 . 1 100 100 PRO CA C 13 62.0900 0.0000 . 1 . . 9328 . . 219 PRO CA . 52947 1 451 . 1 . 1 100 100 PRO CB C 13 31.3320 0.0000 . 1 . . 7648 . . 219 PRO CB . 52947 1 452 . 1 . 1 101 101 ARG H H 1 8.9019 0.0000 . 1 . . 9329 . . 220 ARG H . 52947 1 453 . 1 . 1 101 101 ARG C C 13 175.8160 0.0000 . 1 . . 11929 . . 220 ARG C . 52947 1 454 . 1 . 1 101 101 ARG CA C 13 57.4510 0.0000 . 1 . . 7657 . . 220 ARG CA . 52947 1 455 . 1 . 1 101 101 ARG CB C 13 28.1270 0.0000 . 1 . . 7645 . . 220 ARG CB . 52947 1 456 . 1 . 1 101 101 ARG N N 15 120.2021 0.0000 . 1 . . 9330 . . 220 ARG N . 52947 1 457 . 1 . 1 102 102 THR H H 1 7.0574 0.0000 . 1 . . 11552 . . 221 THR H . 52947 1 458 . 1 . 1 102 102 THR C C 13 174.6070 0.0000 . 1 . . 11551 . . 221 THR C . 52947 1 459 . 1 . 1 102 102 THR CA C 13 59.9000 0.0000 . 1 . . 6754 . . 221 THR CA . 52947 1 460 . 1 . 1 102 102 THR CB C 13 68.1370 0.0000 . 1 . . 6751 . . 221 THR CB . 52947 1 461 . 1 . 1 102 102 THR N N 15 103.6843 0.0000 . 1 . . 11553 . . 221 THR N . 52947 1 462 . 1 . 1 103 103 ILE H H 1 7.2045 0.0000 . 1 . . 9866 . . 222 ILE H . 52947 1 463 . 1 . 1 103 103 ILE C C 13 172.4240 0.0000 . 1 . . 12058 . . 222 ILE C . 52947 1 464 . 1 . 1 103 103 ILE CA C 13 58.7090 0.0000 . 1 . . 9484 . . 222 ILE CA . 52947 1 465 . 1 . 1 103 103 ILE CB C 13 38.2820 0.0000 . 1 . . 7924 . . 222 ILE CB . 52947 1 466 . 1 . 1 103 103 ILE N N 15 122.0001 0.0000 . 1 . . 9867 . . 222 ILE N . 52947 1 467 . 1 . 1 104 104 THR H H 1 6.9190 0.0000 . 1 . . 9803 . . 223 THR H . 52947 1 468 . 1 . 1 104 104 THR C C 13 175.4100 0.0000 . 1 . . 11659 . . 223 THR C . 52947 1 469 . 1 . 1 104 104 THR CA C 13 58.4300 0.0000 . 1 . . 8956 . . 223 THR CA . 52947 1 470 . 1 . 1 104 104 THR CB C 13 72.6549 0.0000 . 1 . . 8452 . . 223 THR CB . 52947 1 471 . 1 . 1 104 104 THR N N 15 113.4282 0.0000 . 1 . . 9804 . . 223 THR N . 52947 1 472 . 1 . 1 105 105 ASP H H 1 8.9179 0.0000 . 1 . . 9485 . . 224 ASP H . 52947 1 473 . 1 . 1 105 105 ASP C C 13 178.0580 0.0000 . 1 . . 13042 . . 224 ASP C . 52947 1 474 . 1 . 1 105 105 ASP CA C 13 58.0930 0.0000 . 1 . . 9121 . . 224 ASP CA . 52947 1 475 . 1 . 1 105 105 ASP CB C 13 40.2100 0.0000 . 1 . . 8542 . . 224 ASP CB . 52947 1 476 . 1 . 1 105 105 ASP N N 15 122.0718 0.0000 . 1 . . 9486 . . 224 ASP N . 52947 1 477 . 1 . 1 106 106 ASP H H 1 8.3372 0.0000 . 1 . . 9116 . . 225 ASP H . 52947 1 478 . 1 . 1 106 106 ASP C C 13 178.9845 0.0000 . 1 . . 11785 . . 225 ASP C . 52947 1 479 . 1 . 1 106 106 ASP CA C 13 56.7330 0.0000 . 1 . . 9118 . . 225 ASP CA . 52947 1 480 . 1 . 1 106 106 ASP CB C 13 39.9480 0.0000 . 1 . . 7270 . . 225 ASP CB . 52947 1 481 . 1 . 1 106 106 ASP N N 15 116.6408 0.0000 . 1 . . 9117 . . 225 ASP N . 52947 1 482 . 1 . 1 107 107 GLN H H 1 7.7506 0.0000 . 1 . . 9323 . . 226 GLN H . 52947 1 483 . 1 . 1 107 107 GLN C C 13 179.1790 0.0000 . 1 . . 11920 . . 226 GLN C . 52947 1 484 . 1 . 1 107 107 GLN CA C 13 58.1290 0.0000 . 1 . . 7636 . . 226 GLN CA . 52947 1 485 . 1 . 1 107 107 GLN CB C 13 28.2300 0.0000 . 1 . . 7633 . . 226 GLN CB . 52947 1 486 . 1 . 1 107 107 GLN N N 15 120.1289 0.0000 . 1 . . 9324 . . 226 GLN N . 52947 1 487 . 1 . 1 108 108 LEU H H 1 8.2775 0.0000 . 1 . . 9839 . . 227 LEU H . 52947 1 488 . 1 . 1 108 108 LEU C C 13 179.3100 0.0000 . 1 . . 12250 . . 227 LEU C . 52947 1 489 . 1 . 1 108 108 LEU CA C 13 58.0000 0.0000 . 1 . . 7570 . . 227 LEU CA . 52947 1 490 . 1 . 1 108 108 LEU CB C 13 41.0690 0.0000 . 1 . . 7573 . . 227 LEU CB . 52947 1 491 . 1 . 1 108 108 LEU N N 15 119.5336 0.0000 . 1 . . 9840 . . 227 LEU N . 52947 1 492 . 1 . 1 109 109 ASP H H 1 8.1134 0.0000 . 1 . . 9836 . . 228 ASP H . 52947 1 493 . 1 . 1 109 109 ASP C C 13 179.6390 0.0000 . 1 . . 12253 . . 228 ASP C . 52947 1 494 . 1 . 1 109 109 ASP CA C 13 57.5810 0.0000 . 1 . . 9274 . . 228 ASP CA . 52947 1 495 . 1 . 1 109 109 ASP CB C 13 40.0890 0.0000 . 1 . . 7555 . . 228 ASP CB . 52947 1 496 . 1 . 1 109 109 ASP N N 15 119.4480 0.0000 . 1 . . 9837 . . 228 ASP N . 52947 1 497 . 1 . 1 110 110 THR H H 1 8.0169 0.0000 . 1 . . 9146 . . 229 THR H . 52947 1 498 . 1 . 1 110 110 THR CA C 13 66.2460 0.0000 . 1 . . 7324 . . 229 THR CA . 52947 1 499 . 1 . 1 110 110 THR CB C 13 68.3140 0.0000 . 1 . . 7318 . . 229 THR CB . 52947 1 500 . 1 . 1 110 110 THR N N 15 117.3309 0.0000 . 1 . . 9147 . . 229 THR N . 52947 1 501 . 1 . 1 111 111 ILE H H 1 8.0978 0.0000 . 1 . . 9296 . . 230 ILE H . 52947 1 502 . 1 . 1 111 111 ILE C C 13 177.3608 0.0000 . 1 . . 11911 . . 230 ILE C . 52947 1 503 . 1 . 1 111 111 ILE CA C 13 64.6220 0.0000 . 1 . . 9301 . . 230 ILE CA . 52947 1 504 . 1 . 1 111 111 ILE CB C 13 38.8285 0.0000 . 1 . . 8635 . . 230 ILE CB . 52947 1 505 . 1 . 1 111 111 ILE N N 15 119.8284 0.0000 . 1 . . 9297 . . 230 ILE N . 52947 1 506 . 1 . 1 112 112 PHE H H 1 8.6675 0.0000 . 1 . . 12269 . . 231 PHE H . 52947 1 507 . 1 . 1 112 112 PHE C C 13 180.4570 0.0000 . 1 . . 12271 . . 231 PHE C . 52947 1 508 . 1 . 1 112 112 PHE CA C 13 60.6950 0.0000 . 1 . . 8911 . . 231 PHE CA . 52947 1 509 . 1 . 1 112 112 PHE CB C 13 37.8910 0.0000 . 1 . . 6910 . . 231 PHE CB . 52947 1 510 . 1 . 1 112 112 PHE N N 15 112.0337 0.0000 . 1 . . 12270 . . 231 PHE N . 52947 1 511 . 1 . 1 113 113 GLY H H 1 9.0164 0.0000 . 1 . . 9011 . . 232 GLY H . 52947 1 512 . 1 . 1 113 113 GLY C C 13 174.0780 0.0000 . 1 . . 11701 . . 232 GLY C . 52947 1 513 . 1 . 1 113 113 GLY CA C 13 46.3520 0.0000 . 1 . . 7081 . . 232 GLY CA . 52947 1 514 . 1 . 1 113 113 GLY N N 15 114.8747 0.0000 . 1 . . 9012 . . 232 GLY N . 52947 1 515 . 1 . 1 114 114 LYS H H 1 6.6662 0.0000 . 1 . . 9050 . . 233 LYS H . 52947 1 516 . 1 . 1 114 114 LYS C C 13 176.9820 0.0000 . 1 . . 11737 . . 233 LYS C . 52947 1 517 . 1 . 1 114 114 LYS CA C 13 56.9640 0.0000 . 1 . . 9052 . . 233 LYS CA . 52947 1 518 . 1 . 1 114 114 LYS CB C 13 31.1800 0.0000 . 1 . . 7156 . . 233 LYS CB . 52947 1 519 . 1 . 1 114 114 LYS N N 15 115.7475 0.0000 . 1 . . 9051 . . 233 LYS N . 52947 1 520 . 1 . 1 115 115 TYR H H 1 6.8371 0.0000 . 1 . . 11666 . . 234 TYR H . 52947 1 521 . 1 . 1 115 115 TYR C C 13 173.9090 0.0000 . 1 . . 11668 . . 234 TYR C . 52947 1 522 . 1 . 1 115 115 TYR CA C 13 58.1410 0.0000 . 1 . . 7018 . . 234 TYR CA . 52947 1 523 . 1 . 1 115 115 TYR CB C 13 38.1330 0.0000 . 1 . . 7015 . . 234 TYR CB . 52947 1 524 . 1 . 1 115 115 TYR N N 15 113.5153 0.0000 . 1 . . 11667 . . 234 TYR N . 52947 1 525 . 1 . 1 116 116 GLY H H 1 7.2852 0.0000 . 1 . . 11543 . . 235 GLY H . 52947 1 526 . 1 . 1 116 116 GLY C C 13 171.3380 0.0000 . 1 . . 11548 . . 235 GLY C . 52947 1 527 . 1 . 1 116 116 GLY CA C 13 44.6310 0.0000 . 1 . . 6742 . . 235 GLY CA . 52947 1 528 . 1 . 1 116 116 GLY N N 15 103.5142 0.0000 . 1 . . 11544 . . 235 GLY N . 52947 1 529 . 1 . 1 117 117 SER H H 1 8.2673 0.0000 . 1 . . 8993 . . 236 SER H . 52947 1 530 . 1 . 1 117 117 SER C C 13 173.2980 0.0000 . 1 . . 11680 . . 236 SER C . 52947 1 531 . 1 . 1 117 117 SER CA C 13 57.4300 0.0000 . 1 . . 8998 . . 236 SER CA . 52947 1 532 . 1 . 1 117 117 SER CB C 13 63.2860 0.0000 . 1 . . 7054 . . 236 SER CB . 52947 1 533 . 1 . 1 117 117 SER N N 15 114.1555 0.0000 . 1 . . 8994 . . 236 SER N . 52947 1 534 . 1 . 1 118 118 ILE H H 1 8.7344 0.0000 . 1 . . 9713 . . 237 ILE H . 52947 1 535 . 1 . 1 118 118 ILE C C 13 173.2900 0.0000 . 1 . . 12205 . . 237 ILE C . 52947 1 536 . 1 . 1 118 118 ILE CA C 13 61.1740 0.0000 . 1 . . 8329 . . 237 ILE CA . 52947 1 537 . 1 . 1 118 118 ILE CB C 13 37.2540 0.0000 . 1 . . 8326 . . 237 ILE CB . 52947 1 538 . 1 . 1 118 118 ILE N N 15 127.4297 0.0000 . 1 . . 9714 . . 237 ILE N . 52947 1 539 . 1 . 1 119 119 VAL H H 1 8.9708 0.0000 . 1 . . 9890 . . 238 VAL H . 52947 1 540 . 1 . 1 119 119 VAL C C 13 176.1060 0.0000 . 1 . . 12163 . . 238 VAL C . 52947 1 541 . 1 . 1 119 119 VAL CA C 13 61.8840 0.0000 . 1 . . 9622 . . 238 VAL CA . 52947 1 542 . 1 . 1 119 119 VAL CB C 13 31.8200 0.0000 . 1 . . 8185 . . 238 VAL CB . 52947 1 543 . 1 . 1 119 119 VAL N N 15 125.6744 0.0000 . 1 . . 9891 . . 238 VAL N . 52947 1 544 . 1 . 1 120 120 GLN H H 1 7.4415 0.0000 . 1 . . 9227 . . 239 GLN H . 52947 1 545 . 1 . 1 120 120 GLN C C 13 172.7820 0.0000 . 1 . . 11869 . . 239 GLN C . 52947 1 546 . 1 . 1 120 120 GLN CA C 13 55.4800 0.0000 . 1 . . 7480 . . 239 GLN CA . 52947 1 547 . 1 . 1 120 120 GLN CB C 13 31.3490 0.0000 . 1 . . 7483 . . 239 GLN CB . 52947 1 548 . 1 . 1 120 120 GLN N N 15 118.7481 0.0000 . 1 . . 9228 . . 239 GLN N . 52947 1 549 . 1 . 1 121 121 LYS H H 1 8.5591 0.0000 . 1 . . 9785 . . 240 LYS H . 52947 1 550 . 1 . 1 121 121 LYS C C 13 174.9930 0.0000 . 1 . . 13096 . . 240 LYS C . 52947 1 551 . 1 . 1 121 121 LYS CA C 13 54.6270 0.0000 . 1 . . 9205 . . 240 LYS CA . 52947 1 552 . 1 . 1 121 121 LYS CB C 13 34.3610 0.0000 . 1 . . 7435 . . 240 LYS CB . 52947 1 553 . 1 . 1 121 121 LYS N N 15 121.5227 0.0000 . 1 . . 9786 . . 240 LYS N . 52947 1 554 . 1 . 1 122 122 ASN H H 1 8.8679 0.0000 . 1 . . 13094 . . 241 ASN H . 52947 1 555 . 1 . 1 122 122 ASN CA C 13 52.8450 0.0000 . 1 . . 9199 . . 241 ASN CA . 52947 1 556 . 1 . 1 122 122 ASN CB C 13 41.1570 0.0000 . 1 . . 7426 . . 241 ASN CB . 52947 1 557 . 1 . 1 122 122 ASN N N 15 118.1978 0.0000 . 1 . . 13095 . . 241 ASN N . 52947 1 558 . 1 . 1 123 123 ILE H H 1 8.9965 0.0000 . 1 . . 9644 . . 242 ILE H . 52947 1 559 . 1 . 1 123 123 ILE CA C 13 61.4240 0.0000 . 1 . . 8470 . . 242 ILE CA . 52947 1 560 . 1 . 1 123 123 ILE CB C 13 38.0420 0.0000 . 1 . . 8221 . . 242 ILE CB . 52947 1 561 . 1 . 1 123 123 ILE N N 15 126.1827 0.0000 . 1 . . 9645 . . 242 ILE N . 52947 1 562 . 1 . 1 124 124 LEU H H 1 7.6931 0.0000 . 1 . . 12200 . . 243 LEU H . 52947 1 563 . 1 . 1 124 124 LEU C C 13 177.6920 0.0000 . 1 . . 12202 . . 243 LEU C . 52947 1 564 . 1 . 1 124 124 LEU CA C 13 55.3340 0.0000 . 1 . . 9700 . . 243 LEU CA . 52947 1 565 . 1 . 1 124 124 LEU CB C 13 40.1400 0.0000 . 1 . . 8314 . . 243 LEU CB . 52947 1 566 . 1 . 1 124 124 LEU N N 15 127.2014 0.0000 . 1 . . 12201 . . 243 LEU N . 52947 1 567 . 1 . 1 125 125 ARG H H 1 9.0461 0.0000 . 1 . . 12113 . . 244 ARG H . 52947 1 568 . 1 . 1 125 125 ARG CA C 13 54.3400 0.0000 . 1 . . 9553 . . 244 ARG CA . 52947 1 569 . 1 . 1 125 125 ARG CB C 13 32.5060 0.0000 . 1 . . 8059 . . 244 ARG CB . 52947 1 570 . 1 . 1 125 125 ARG N N 15 123.2514 0.0000 . 1 . . 12114 . . 244 ARG N . 52947 1 571 . 1 . 1 126 126 ASP H H 1 8.6321 0.0000 . 1 . . 9533 . . 245 ASP H . 52947 1 572 . 1 . 1 126 126 ASP C C 13 177.7490 0.0000 . 1 . . 12103 . . 245 ASP C . 52947 1 573 . 1 . 1 126 126 ASP CA C 13 54.1100 0.0000 . 1 . . 8017 . . 245 ASP CA . 52947 1 574 . 1 . 1 126 126 ASP CB C 13 42.4410 0.0000 . 1 . . 8014 . . 245 ASP CB . 52947 1 575 . 1 . 1 126 126 ASP N N 15 123.0892 0.0000 . 1 . . 9534 . . 245 ASP N . 52947 1 576 . 1 . 1 127 127 LYS H H 1 8.9335 0.0000 . 1 . . 9728 . . 246 LYS H . 52947 1 577 . 1 . 1 127 127 LYS C C 13 177.3990 0.0000 . 1 . . 12220 . . 246 LYS C . 52947 1 578 . 1 . 1 127 127 LYS CA C 13 58.5600 0.0000 . 1 . . 8365 . . 246 LYS CA . 52947 1 579 . 1 . 1 127 127 LYS CB C 13 31.7570 0.0000 . 1 . . 8359 . . 246 LYS CB . 52947 1 580 . 1 . 1 127 127 LYS N N 15 127.6832 0.0000 . 1 . . 9729 . . 246 LYS N . 52947 1 581 . 1 . 1 128 128 LEU H H 1 8.4353 0.0000 . 1 . . 11840 . . 247 LEU H . 52947 1 582 . 1 . 1 128 128 LEU C C 13 179.2800 0.0000 . 1 . . 11842 . . 247 LEU C . 52947 1 583 . 1 . 1 128 128 LEU CA C 13 56.6830 0.0000 . 1 . . 9775 . . 247 LEU CA . 52947 1 584 . 1 . 1 128 128 LEU CB C 13 41.1910 0.0000 . 1 . . 7393 . . 247 LEU CB . 52947 1 585 . 1 . 1 128 128 LEU N N 15 117.9402 0.0000 . 1 . . 11841 . . 247 LEU N . 52947 1 586 . 1 . 1 129 129 THR H H 1 8.2355 0.0000 . 1 . . 8834 . . 248 THR H . 52947 1 587 . 1 . 1 129 129 THR C C 13 176.8000 0.0000 . 1 . . 11572 . . 248 THR C . 52947 1 588 . 1 . 1 129 129 THR CA C 13 61.4640 0.0000 . 1 . . 6802 . . 248 THR CA . 52947 1 589 . 1 . 1 129 129 THR CB C 13 70.8340 0.0000 . 1 . . 8440 . . 248 THR CB . 52947 1 590 . 1 . 1 129 129 THR N N 15 106.7429 0.0000 . 1 . . 8835 . . 248 THR N . 52947 1 591 . 1 . 1 130 130 GLY H H 1 8.2106 0.0000 . 1 . . 8894 . . 249 GLY H . 52947 1 592 . 1 . 1 130 130 GLY C C 13 173.7670 0.0000 . 1 . . 11614 . . 249 GLY C . 52947 1 593 . 1 . 1 130 130 GLY CA C 13 45.3620 0.0000 . 1 . . 8896 . . 249 GLY CA . 52947 1 594 . 1 . 1 130 130 GLY N N 15 110.7643 0.0000 . 1 . . 8895 . . 249 GLY N . 52947 1 595 . 1 . 1 131 131 ARG H H 1 7.8730 0.0000 . 1 . . 9401 . . 250 ARG H . 52947 1 596 . 1 . 1 131 131 ARG C C 13 174.7590 0.0000 . 1 . . 11980 . . 250 ARG C . 52947 1 597 . 1 . 1 131 131 ARG CA C 13 54.2275 0.0000 . 1 . . 7768 . . 250 ARG CA . 52947 1 598 . 1 . 1 131 131 ARG CB C 13 29.2570 0.0000 . 1 . . 7771 . . 250 ARG CB . 52947 1 599 . 1 . 1 131 131 ARG N N 15 120.9288 0.0000 . 1 . . 9402 . . 250 ARG N . 52947 1 600 . 1 . 1 132 132 PRO C C 13 176.9740 0.0000 . 1 . . 13132 . . 251 PRO C . 52947 1 601 . 1 . 1 132 132 PRO CA C 13 63.2660 0.0000 . 1 . . 9268 . . 251 PRO CA . 52947 1 602 . 1 . 1 132 132 PRO CB C 13 31.9000 0.0000 . 1 . . 8608 . . 251 PRO CB . 52947 1 603 . 1 . 1 133 133 ARG H H 1 8.2573 0.0000 . 1 . . 13130 . . 252 ARG H . 52947 1 604 . 1 . 1 133 133 ARG C C 13 176.6180 0.0000 . 1 . . 12298 . . 252 ARG C . 52947 1 605 . 1 . 1 133 133 ARG CA C 13 55.7770 0.0000 . 1 . . 7546 . . 252 ARG CA . 52947 1 606 . 1 . 1 133 133 ARG CB C 13 30.8960 0.0000 . 1 . . 7543 . . 252 ARG CB . 52947 1 607 . 1 . 1 133 133 ARG N N 15 119.4036 0.0000 . 1 . . 13131 . . 252 ARG N . 52947 1 608 . 1 . 1 134 134 GLY H H 1 8.5921 0.0000 . 1 . . 11573 . . 253 GLY H . 52947 1 609 . 1 . 1 134 134 GLY C C 13 171.8500 0.0000 . 1 . . 11575 . . 253 GLY C . 52947 1 610 . 1 . 1 134 134 GLY CA C 13 45.3770 0.0000 . 1 . . 6811 . . 253 GLY CA . 52947 1 611 . 1 . 1 134 134 GLY N N 15 106.8582 0.0000 . 1 . . 11574 . . 253 GLY N . 52947 1 612 . 1 . 1 135 135 VAL H H 1 6.9404 0.0000 . 1 . . 9008 . . 254 VAL H . 52947 1 613 . 1 . 1 135 135 VAL C C 13 175.2830 0.0000 . 1 . . 11695 . . 254 VAL C . 52947 1 614 . 1 . 1 135 135 VAL CA C 13 58.5830 0.0000 . 1 . . 7072 . . 254 VAL CA . 52947 1 615 . 1 . 1 135 135 VAL CB C 13 34.5700 0.0000 . 1 . . 7075 . . 254 VAL CB . 52947 1 616 . 1 . 1 135 135 VAL N N 15 114.6546 0.0000 . 1 . . 9009 . . 254 VAL N . 52947 1 617 . 1 . 1 136 136 ALA H H 1 9.1508 0.0000 . 1 . . 12185 . . 255 ALA H . 52947 1 618 . 1 . 1 136 136 ALA C C 13 174.1140 0.0000 . 1 . . 12184 . . 255 ALA C . 52947 1 619 . 1 . 1 136 136 ALA CA C 13 50.4170 0.0000 . 1 . . 9673 . . 255 ALA CA . 52947 1 620 . 1 . 1 136 136 ALA CB C 13 23.0550 0.0000 . 1 . . 8254 . . 255 ALA CB . 52947 1 621 . 1 . 1 136 136 ALA N N 15 126.3605 0.0000 . 1 . . 12186 . . 255 ALA N . 52947 1 622 . 1 . 1 137 137 PHE H H 1 8.3189 0.0000 . 1 . . 9071 . . 256 PHE H . 52947 1 623 . 1 . 1 137 137 PHE C C 13 176.1130 0.0000 . 1 . . 13219 . . 256 PHE C . 52947 1 624 . 1 . 1 137 137 PHE CA C 13 56.0980 0.0000 . 1 . . 9415 . . 256 PHE CA . 52947 1 625 . 1 . 1 137 137 PHE CB C 13 41.5320 0.0000 . 1 . . 10555 . . 256 PHE CB . 52947 1 626 . 1 . 1 137 137 PHE N N 15 115.9625 0.0000 . 1 . . 9072 . . 256 PHE N . 52947 1 627 . 1 . 1 138 138 VAL H H 1 8.4532 0.0000 . 1 . . 9413 . . 257 VAL H . 52947 1 628 . 1 . 1 138 138 VAL C C 13 172.5190 0.0000 . 1 . . 12001 . . 257 VAL C . 52947 1 629 . 1 . 1 138 138 VAL CA C 13 61.4380 0.0000 . 1 . . 7801 . . 257 VAL CA . 52947 1 630 . 1 . 1 138 138 VAL CB C 13 35.3180 0.0000 . 1 . . 7804 . . 257 VAL CB . 52947 1 631 . 1 . 1 138 138 VAL N N 15 121.2224 0.0000 . 1 . . 9414 . . 257 VAL N . 52947 1 632 . 1 . 1 139 139 ARG H H 1 8.8319 0.0000 . 1 . . 12212 . . 258 ARG H . 52947 1 633 . 1 . 1 139 139 ARG CA C 13 54.0420 0.0000 . 1 . . 9898 . . 258 ARG CA . 52947 1 634 . 1 . 1 139 139 ARG CB C 13 32.7920 0.0000 . 1 . . 8347 . . 258 ARG CB . 52947 1 635 . 1 . 1 139 139 ARG N N 15 127.5395 0.0000 . 1 . . 12213 . . 258 ARG N . 52947 1 636 . 1 . 1 140 140 TYR H H 1 8.2791 0.0000 . 1 . . 12164 . . 259 TYR H . 52947 1 637 . 1 . 1 140 140 TYR C C 13 175.4590 0.0000 . 1 . . 12166 . . 259 TYR C . 52947 1 638 . 1 . 1 140 140 TYR CA C 13 58.1540 0.0000 . 1 . . 8200 . . 259 TYR CA . 52947 1 639 . 1 . 1 140 140 TYR CB C 13 41.2525 0.0000 . 1 . . 8197 . . 259 TYR CB . 52947 1 640 . 1 . 1 140 140 TYR N N 15 125.7191 0.0000 . 1 . . 12165 . . 259 TYR N . 52947 1 641 . 1 . 1 141 141 ASN H H 1 8.7205 0.0000 . 1 . . 13085 . . 260 ASN H . 52947 1 642 . 1 . 1 141 141 ASN C C 13 175.5230 0.0000 . 1 . . 11845 . . 260 ASN C . 52947 1 643 . 1 . 1 141 141 ASN CA C 13 55.3730 0.0000 . 1 . . 9184 . . 260 ASN CA . 52947 1 644 . 1 . 1 141 141 ASN CB C 13 39.7720 0.0000 . 1 . . 8569 . . 260 ASN CB . 52947 1 645 . 1 . 1 141 141 ASN N N 15 117.9363 0.0000 . 1 . . 13086 . . 260 ASN N . 52947 1 646 . 1 . 1 142 142 LYS H H 1 8.2755 0.0000 . 1 . . 8939 . . 261 LYS H . 52947 1 647 . 1 . 1 142 142 LYS C C 13 177.7670 0.0000 . 1 . . 11650 . . 261 LYS C . 52947 1 648 . 1 . 1 142 142 LYS CA C 13 53.7060 0.0000 . 1 . . 8941 . . 261 LYS CA . 52947 1 649 . 1 . 1 142 142 LYS CB C 13 35.1600 0.0000 . 1 . . 6964 . . 261 LYS CB . 52947 1 650 . 1 . 1 142 142 LYS N N 15 113.1514 0.0000 . 1 . . 8940 . . 261 LYS N . 52947 1 651 . 1 . 1 143 143 ARG H H 1 9.2863 0.0000 . 1 . . 9599 . . 262 ARG H . 52947 1 652 . 1 . 1 143 143 ARG C C 13 178.6240 0.0000 . 1 . . 12151 . . 262 ARG C . 52947 1 653 . 1 . 1 143 143 ARG CA C 13 58.7680 0.0000 . 1 . . 8146 . . 262 ARG CA . 52947 1 654 . 1 . 1 143 143 ARG CB C 13 28.9700 0.0000 . 1 . . 8149 . . 262 ARG CB . 52947 1 655 . 1 . 1 143 143 ARG N N 15 124.9116 0.0000 . 1 . . 9600 . . 262 ARG N . 52947 1 656 . 1 . 1 144 144 GLU H H 1 10.0723 0.0000 . 1 . . 11900 . . 263 GLU H . 52947 1 657 . 1 . 1 144 144 GLU C C 13 178.6550 0.0000 . 1 . . 11902 . . 263 GLU C . 52947 1 658 . 1 . 1 144 144 GLU CA C 13 59.9330 0.0000 . 1 . . 7582 . . 263 GLU CA . 52947 1 659 . 1 . 1 144 144 GLU CB C 13 27.8880 0.0000 . 1 . . 7579 . . 263 GLU CB . 52947 1 660 . 1 . 1 144 144 GLU N N 15 119.5688 0.0000 . 1 . . 11901 . . 263 GLU N . 52947 1 661 . 1 . 1 145 145 GLU H H 1 6.8340 0.0000 . 1 . . 9242 . . 264 GLU H . 52947 1 662 . 1 . 1 145 145 GLU C C 13 176.8350 0.0000 . 1 . . 11884 . . 264 GLU C . 52947 1 663 . 1 . 1 145 145 GLU CA C 13 57.6000 0.0000 . 1 . . 7510 . . 264 GLU CA . 52947 1 664 . 1 . 1 145 145 GLU CB C 13 28.6220 0.0000 . 1 . . 8605 . . 264 GLU CB . 52947 1 665 . 1 . 1 145 145 GLU N N 15 119.0637 0.0000 . 1 . . 9243 . . 264 GLU N . 52947 1 666 . 1 . 1 146 146 ALA H H 1 6.6777 0.0000 . 1 . . 9200 . . 265 ALA H . 52947 1 667 . 1 . 1 146 146 ALA C C 13 179.1359 0.0000 . 1 . . 11851 . . 265 ALA C . 52947 1 668 . 1 . 1 146 146 ALA CA C 13 54.4960 0.0000 . 1 . . 7429 . . 265 ALA CA . 52947 1 669 . 1 . 1 146 146 ALA CB C 13 17.0330 0.0000 . 1 . . 7417 . . 265 ALA CB . 52947 1 670 . 1 . 1 146 146 ALA N N 15 118.1919 0.0000 . 1 . . 9201 . . 265 ALA N . 52947 1 671 . 1 . 1 147 147 GLN H H 1 7.9496 0.0000 . 1 . . 8975 . . 266 GLN H . 52947 1 672 . 1 . 1 147 147 GLN C C 13 178.6870 0.0000 . 1 . . 11671 . . 266 GLN C . 52947 1 673 . 1 . 1 147 147 GLN CA C 13 58.0000 0.0000 . 1 . . 7027 . . 266 GLN CA . 52947 1 674 . 1 . 1 147 147 GLN CB C 13 27.6300 0.0000 . 1 . . 7024 . . 266 GLN CB . 52947 1 675 . 1 . 1 147 147 GLN N N 15 113.6571 0.0000 . 1 . . 8976 . . 266 GLN N . 52947 1 676 . 1 . 1 148 148 GLU H H 1 7.7101 0.0000 . 1 . . 9854 . . 267 GLU H . 52947 1 677 . 1 . 1 148 148 GLU C C 13 178.6650 0.0000 . 1 . . 12313 . . 267 GLU C . 52947 1 678 . 1 . 1 148 148 GLU CA C 13 58.6270 0.0000 . 1 . . 9856 . . 267 GLU CA . 52947 1 679 . 1 . 1 148 148 GLU CB C 13 28.0500 0.0000 . 1 . . 7747 . . 267 GLU CB . 52947 1 680 . 1 . 1 148 148 GLU N N 15 120.8154 0.0000 . 1 . . 9855 . . 267 GLU N . 52947 1 681 . 1 . 1 149 149 ALA H H 1 7.8573 0.0000 . 1 . . 9467 . . 268 ALA H . 52947 1 682 . 1 . 1 149 149 ALA C C 13 179.3970 0.0000 . 1 . . 12040 . . 268 ALA C . 52947 1 683 . 1 . 1 149 149 ALA CA C 13 54.7560 0.0000 . 1 . . 7909 . . 268 ALA CA . 52947 1 684 . 1 . 1 149 149 ALA CB C 13 18.3120 0.0000 . 1 . . 7906 . . 268 ALA CB . 52947 1 685 . 1 . 1 149 149 ALA N N 15 121.8656 0.0000 . 1 . . 9468 . . 268 ALA N . 52947 1 686 . 1 . 1 150 150 ILE H H 1 7.9321 0.0000 . 1 . . 11534 . . 269 ILE H . 52947 1 687 . 1 . 1 150 150 ILE C C 13 178.5010 0.0000 . 1 . . 11797 . . 269 ILE C . 52947 1 688 . 1 . 1 150 150 ILE CA C 13 65.9270 0.0000 . 1 . . 7276 . . 269 ILE CA . 52947 1 689 . 1 . 1 150 150 ILE CB C 13 37.8150 0.0000 . 1 . . 7273 . . 269 ILE CB . 52947 1 690 . 1 . 1 150 150 ILE N N 15 116.7268 0.0000 . 1 . . 11535 . . 269 ILE N . 52947 1 691 . 1 . 1 151 151 SER H H 1 7.7666 0.0000 . 1 . . 11633 . . 270 SER H . 52947 1 692 . 1 . 1 151 151 SER CA C 13 60.9480 0.0000 . 1 . . 6919 . . 270 SER CA . 52947 1 693 . 1 . 1 151 151 SER CB C 13 62.8670 0.0000 . 1 . . 6925 . . 270 SER CB . 52947 1 694 . 1 . 1 151 151 SER N N 15 112.5258 0.0000 . 1 . . 11634 . . 270 SER N . 52947 1 695 . 1 . 1 152 152 ALA H H 1 7.8640 0.0000 . 1 . . 9848 . . 271 ALA H . 52947 1 696 . 1 . 1 152 152 ALA C C 13 179.2790 0.0000 . 1 . . 11941 . . 271 ALA C . 52947 1 697 . 1 . 1 152 152 ALA CA C 13 53.4780 0.0000 . 1 . . 9850 . . 271 ALA CA . 52947 1 698 . 1 . 1 152 152 ALA CB C 13 19.7420 0.0000 . 1 . . 7678 . . 271 ALA CB . 52947 1 699 . 1 . 1 152 152 ALA N N 15 120.3263 0.0000 . 1 . . 9849 . . 271 ALA N . 52947 1 700 . 1 . 1 153 153 LEU H H 1 7.8533 0.0000 . 1 . . 8957 . . 272 LEU H . 52947 1 701 . 1 . 1 153 153 LEU C C 13 177.6660 0.0000 . 1 . . 13021 . . 272 LEU C . 52947 1 702 . 1 . 1 153 153 LEU CA C 13 54.4340 0.0000 . 1 . . 9079 . . 272 LEU CA . 52947 1 703 . 1 . 1 153 153 LEU CB C 13 43.8390 0.0000 . 1 . . 7201 . . 272 LEU CB . 52947 1 704 . 1 . 1 153 153 LEU N N 15 113.4189 0.0000 . 1 . . 8958 . . 272 LEU N . 52947 1 705 . 1 . 1 154 154 ASN H H 1 7.9807 0.0000 . 1 . . 11750 . . 273 ASN H . 52947 1 706 . 1 . 1 154 154 ASN C C 13 176.1060 0.0000 . 1 . . 11752 . . 273 ASN C . 52947 1 707 . 1 . 1 154 154 ASN CA C 13 55.7430 0.0000 . 1 . . 9076 . . 273 ASN CA . 52947 1 708 . 1 . 1 154 154 ASN CB C 13 38.4630 0.0000 . 1 . . 7195 . . 273 ASN CB . 52947 1 709 . 1 . 1 154 154 ASN N N 15 116.0129 0.0000 . 1 . . 11751 . . 273 ASN N . 52947 1 710 . 1 . 1 155 155 ASN H H 1 8.9508 0.0000 . 1 . . 11891 . . 274 ASN H . 52947 1 711 . 1 . 1 155 155 ASN C C 13 174.0240 0.0000 . 1 . . 11893 . . 274 ASN C . 52947 1 712 . 1 . 1 155 155 ASN CA C 13 54.8540 0.0000 . 1 . . 9265 . . 274 ASN CA . 52947 1 713 . 1 . 1 155 155 ASN CB C 13 37.2760 0.0000 . 1 . . 7552 . . 274 ASN CB . 52947 1 714 . 1 . 1 155 155 ASN N N 15 119.4250 0.0000 . 1 . . 11892 . . 274 ASN N . 52947 1 715 . 1 . 1 156 156 VAL H H 1 7.6807 0.0000 . 1 . . 9305 . . 275 VAL H . 52947 1 716 . 1 . 1 156 156 VAL C C 13 175.6780 0.0000 . 1 . . 11914 . . 275 VAL C . 52947 1 717 . 1 . 1 156 156 VAL CA C 13 61.3090 0.0000 . 1 . . 9307 . . 275 VAL CA . 52947 1 718 . 1 . 1 156 156 VAL CB C 13 33.3810 0.0000 . 1 . . 7603 . . 275 VAL CB . 52947 1 719 . 1 . 1 156 156 VAL N N 15 119.9445 0.0000 . 1 . . 9306 . . 275 VAL N . 52947 1 720 . 1 . 1 157 157 ILE H H 1 8.6349 0.0000 . 1 . . 9755 . . 276 ILE H . 52947 1 721 . 1 . 1 157 157 ILE C C 13 174.5800 0.0000 . 1 . . 12232 . . 276 ILE C . 52947 1 722 . 1 . 1 157 157 ILE CA C 13 58.6110 0.0000 . 1 . . 8407 . . 276 ILE CA . 52947 1 723 . 1 . 1 157 157 ILE CB C 13 37.3080 0.0000 . 1 . . 8410 . . 276 ILE CB . 52947 1 724 . 1 . 1 157 157 ILE N N 15 128.3876 0.0000 . 1 . . 9756 . . 276 ILE N . 52947 1 725 . 1 . 1 158 158 PRO C C 13 175.9870 0.0000 . 1 . . 12022 . . 277 PRO C . 52947 1 726 . 1 . 1 158 158 PRO CA C 13 61.6060 0.0000 . 1 . . 9448 . . 277 PRO CA . 52947 1 727 . 1 . 1 158 158 PRO CB C 13 31.3620 0.0000 . 1 . . 7858 . . 277 PRO CB . 52947 1 728 . 1 . 1 159 159 GLU H H 1 8.6081 0.0000 . 1 . . 9437 . . 278 GLU H . 52947 1 729 . 1 . 1 159 159 GLU C C 13 177.8530 0.0000 . 1 . . 17257 . . 278 GLU C . 52947 1 730 . 1 . 1 159 159 GLU CA C 13 57.9030 0.0000 . 1 . . 7864 . . 278 GLU CA . 52947 1 731 . 1 . 1 159 159 GLU CB C 13 28.3460 0.0000 . 1 . . 17261 . . 278 GLU CB . 52947 1 732 . 1 . 1 159 159 GLU N N 15 121.5741 0.0000 . 1 . . 9438 . . 278 GLU N . 52947 1 733 . 1 . 1 160 160 GLY H H 1 8.8085 0.0000 . 1 . . 12245 . . 279 GLY H . 52947 1 734 . 1 . 1 160 160 GLY C C 13 174.8560 0.0000 . 1 . . 12247 . . 279 GLY C . 52947 1 735 . 1 . 1 160 160 GLY CA C 13 44.8820 0.0000 . 1 . . 8980 . . 279 GLY CA . 52947 1 736 . 1 . 1 160 160 GLY N N 15 113.9180 0.0000 . 1 . . 12246 . . 279 GLY N . 52947 1 737 . 1 . 1 161 161 GLY H H 1 8.5039 0.0000 . 1 . . 12899 . . 280 GLY H . 52947 1 738 . 1 . 1 161 161 GLY C C 13 172.6560 0.0000 . 1 . . 11581 . . 280 GLY C . 52947 1 739 . 1 . 1 161 161 GLY CA C 13 43.4350 0.0000 . 1 . . 8845 . . 280 GLY CA . 52947 1 740 . 1 . 1 161 161 GLY N N 15 108.0131 0.0000 . 1 . . 12900 . . 280 GLY N . 52947 1 741 . 1 . 1 162 162 SER H H 1 8.9703 0.0000 . 1 . . 11609 . . 281 SER H . 52947 1 742 . 1 . 1 162 162 SER CA C 13 58.0070 0.0000 . 1 . . 8893 . . 281 SER CA . 52947 1 743 . 1 . 1 162 162 SER CB C 13 64.9560 0.0000 . 1 . . 6886 . . 281 SER CB . 52947 1 744 . 1 . 1 162 162 SER N N 15 110.6329 0.0000 . 1 . . 11610 . . 281 SER N . 52947 1 745 . 1 . 1 163 163 GLN H H 1 7.8208 0.0000 . 1 . . 13184 . . 282 GLN H . 52947 1 746 . 1 . 1 163 163 GLN C C 13 173.0520 0.0000 . 1 . . 11944 . . 282 GLN C . 52947 1 747 . 1 . 1 163 163 GLN CA C 13 52.3465 0.0000 . 1 . . 7696 . . 282 GLN CA . 52947 1 748 . 1 . 1 163 163 GLN CB C 13 29.8380 0.0000 . 1 . . 7699 . . 282 GLN CB . 52947 1 749 . 1 . 1 163 163 GLN N N 15 120.3773 0.0000 . 1 . . 13185 . . 282 GLN N . 52947 1 750 . 1 . 1 164 164 PRO C C 13 176.8500 0.0000 . 1 . . 13267 . . 283 PRO C . 52947 1 751 . 1 . 1 164 164 PRO CA C 13 61.5720 0.0000 . 1 . . 9505 . . 283 PRO CA . 52947 1 752 . 1 . 1 164 164 PRO CB C 13 30.6080 0.0000 . 1 . . 7966 . . 283 PRO CB . 52947 1 753 . 1 . 1 165 165 LEU H H 1 8.4470 0.0000 . 1 . . 13265 . . 284 LEU H . 52947 1 754 . 1 . 1 165 165 LEU C C 13 177.8680 0.0000 . 1 . . 12085 . . 284 LEU C . 52947 1 755 . 1 . 1 165 165 LEU CA C 13 54.8397 0.0000 . 1 . . 7963 . . 284 LEU CA . 52947 1 756 . 1 . 1 165 165 LEU CB C 13 42.4010 0.0000 . 1 . . 7960 . . 284 LEU CB . 52947 1 757 . 1 . 1 165 165 LEU N N 15 122.1386 0.0000 . 1 . . 13266 . . 284 LEU N . 52947 1 758 . 1 . 1 166 166 SER H H 1 7.7197 0.0000 . 1 . . 9047 . . 285 SER H . 52947 1 759 . 1 . 1 166 166 SER C C 13 173.8600 0.0000 . 1 . . 11728 . . 285 SER C . 52947 1 760 . 1 . 1 166 166 SER CA C 13 56.6420 0.0000 . 1 . . 7147 . . 285 SER CA . 52947 1 761 . 1 . 1 166 166 SER CB C 13 62.9780 0.0000 . 1 . . 7144 . . 285 SER CB . 52947 1 762 . 1 . 1 166 166 SER N N 15 115.6009 0.0000 . 1 . . 9048 . . 285 SER N . 52947 1 763 . 1 . 1 167 167 VAL H H 1 8.8232 0.0000 . 1 . . 9692 . . 286 VAL H . 52947 1 764 . 1 . 1 167 167 VAL C C 13 173.2180 0.0000 . 1 . . 12199 . . 286 VAL C . 52947 1 765 . 1 . 1 167 167 VAL CA C 13 61.2220 0.0000 . 1 . . 9691 . . 286 VAL CA . 52947 1 766 . 1 . 1 167 167 VAL CB C 13 33.9730 0.0000 . 1 . . 8299 . . 286 VAL CB . 52947 1 767 . 1 . 1 167 167 VAL N N 15 126.5973 0.0000 . 1 . . 9693 . . 286 VAL N . 52947 1 768 . 1 . 1 168 168 ARG H H 1 8.2722 0.0000 . 1 . . 13250 . . 287 ARG H . 52947 1 769 . 1 . 1 168 168 ARG C C 13 174.7800 0.0000 . 1 . . 12049 . . 287 ARG C . 52947 1 770 . 1 . 1 168 168 ARG CA C 13 53.2730 0.0000 . 1 . . 9472 . . 287 ARG CA . 52947 1 771 . 1 . 1 168 168 ARG CB C 13 33.1370 0.0000 . 1 . . 7918 . . 287 ARG CB . 52947 1 772 . 1 . 1 168 168 ARG N N 15 121.9584 0.0000 . 1 . . 13251 . . 287 ARG N . 52947 1 773 . 1 . 1 169 169 LEU H H 1 8.8220 0.0000 . 1 . . 12029 . . 288 LEU H . 52947 1 774 . 1 . 1 169 169 LEU C C 13 178.1010 0.0000 . 1 . . 12028 . . 288 LEU C . 52947 1 775 . 1 . 1 169 169 LEU CA C 13 55.7440 0.0000 . 1 . . 9451 . . 288 LEU CA . 52947 1 776 . 1 . 1 169 169 LEU CB C 13 40.8690 0.0000 . 1 . . 7882 . . 288 LEU CB . 52947 1 777 . 1 . 1 169 169 LEU N N 15 121.6467 0.0000 . 1 . . 12030 . . 288 LEU N . 52947 1 778 . 1 . 1 170 170 ALA H H 1 8.9438 0.0000 . 1 . . 9659 . . 289 ALA H . 52947 1 779 . 1 . 1 170 170 ALA C C 13 177.3514 0.0000 . 1 . . 17241 . . 289 ALA C . 52947 1 780 . 1 . 1 170 170 ALA CA C 13 52.7100 0.0000 . 1 . . 9661 . . 289 ALA CA . 52947 1 781 . 1 . 1 170 170 ALA CB C 13 18.6300 0.0000 . 1 . . 17245 . . 289 ALA CB . 52947 1 782 . 1 . 1 170 170 ALA N N 15 126.2752 0.0000 . 1 . . 9660 . . 289 ALA N . 52947 1 783 . 1 . 1 171 171 GLU H H 1 8.5618 0.0000 . 1 . . 12293 . . 290 GLU H . 52947 1 784 . 1 . 1 171 171 GLU C C 13 175.9800 0.0000 . 1 . . 11890 . . 290 GLU C . 52947 1 785 . 1 . 1 171 171 GLU CA C 13 55.7140 0.0000 . 1 . . 7540 . . 290 GLU CA . 52947 1 786 . 1 . 1 171 171 GLU CB C 13 29.9460 0.0000 . 1 . . 7534 . . 290 GLU CB . 52947 1 787 . 1 . 1 171 171 GLU N N 15 119.2684 0.0000 . 1 . . 12294 . . 290 GLU N . 52947 1 788 . 1 . 1 172 172 GLU H H 1 8.3911 0.0000 . 1 . . 9869 . . 291 GLU H . 52947 1 789 . 1 . 1 172 172 GLU C C 13 176.3850 0.0000 . 1 . . 12325 . . 291 GLU C . 52947 1 790 . 1 . 1 172 172 GLU CA C 13 56.0510 0.0000 . 1 . . 7972 . . 291 GLU CA . 52947 1 791 . 1 . 1 172 172 GLU CB C 13 29.8990 0.0000 . 1 . . 8704 . . 291 GLU CB . 52947 1 792 . 1 . 1 172 172 GLU N N 15 122.1702 0.0000 . 1 . . 9870 . . 291 GLU N . 52947 1 793 . 1 . 1 173 173 HIS H H 1 8.4914 0.0000 . 1 . . 13175 . . 292 HIS H . 52947 1 794 . 1 . 1 173 173 HIS C C 13 175.5988 0.0000 . 1 . . 11935 . . 292 HIS C . 52947 1 795 . 1 . 1 173 173 HIS CA C 13 55.7910 0.0000 . 1 . . 9847 . . 292 HIS CA . 52947 1 796 . 1 . 1 173 173 HIS CB C 13 29.6580 0.0000 . 1 . . 8644 . . 292 HIS CB . 52947 1 797 . 1 . 1 173 173 HIS N N 15 120.3548 0.0000 . 1 . . 13176 . . 292 HIS N . 52947 1 798 . 1 . 1 174 174 GLY H H 1 8.4683 0.0000 . 1 . . 8870 . . 293 GLY H . 52947 1 799 . 1 . 1 174 174 GLY C C 13 174.1470 0.0000 . 1 . . 11602 . . 293 GLY C . 52947 1 800 . 1 . 1 174 174 GLY CA C 13 44.9625 0.0000 . 1 . . 6847 . . 293 GLY CA . 52947 1 801 . 1 . 1 174 174 GLY N N 15 109.9664 0.0000 . 1 . . 8871 . . 293 GLY N . 52947 1 802 . 1 . 1 175 175 LYS H H 1 8.1498 0.0000 . 1 . . . . . 294 LYS H . 52947 1 803 . 1 . 1 175 175 LYS C C 13 176.6220 0.0000 . 1 . . 13321 . . 294 LYS C . 52947 1 804 . 1 . 1 175 175 LYS CA C 13 55.8870 0.0000 . 1 . . 9592 . . 294 LYS CA . 52947 1 805 . 1 . 1 175 175 LYS CB C 13 32.2540 0.0000 . 1 . . 8143 . . 294 LYS CB . 52947 1 806 . 1 . 1 175 175 LYS N N 15 120.8168 0.0000 . 1 . . . . . 294 LYS N . 52947 1 807 . 1 . 1 176 176 ALA H H 1 8.2709 0.0000 . 1 . . 9590 . . 295 ALA H . 52947 1 808 . 1 . 1 176 176 ALA C C 13 177.8860 0.0000 . 1 . . 12148 . . 295 ALA C . 52947 1 809 . 1 . 1 176 176 ALA CA C 13 52.2470 0.0000 . 1 . . 8137 . . 295 ALA CA . 52947 1 810 . 1 . 1 176 176 ALA CB C 13 18.3610 0.0000 . 1 . . 8134 . . 295 ALA CB . 52947 1 811 . 1 . 1 176 176 ALA N N 15 124.7021 0.0000 . 1 . . 9591 . . 295 ALA N . 52947 1 812 . 1 . 1 177 177 LYS H H 1 8.2187 0.0000 . 1 . . 9365 . . 296 LYS H . 52947 1 813 . 1 . 1 177 177 LYS CA C 13 55.9210 0.0000 . 1 . . 9373 . . 296 LYS CA . 52947 1 814 . 1 . 1 177 177 LYS CB C 13 32.0820 0.0000 . 1 . . 7726 . . 296 LYS CB . 52947 1 815 . 1 . 1 177 177 LYS N N 15 120.4989 0.0000 . 1 . . 9366 . . 296 LYS N . 52947 1 816 . 1 . 1 178 178 ALA H H 1 8.1924 0.0000 . 1 . . 9584 . . 297 ALA H . 52947 1 817 . 1 . 1 178 178 ALA C C 13 177.5110 0.0000 . 1 . . 12145 . . 297 ALA C . 52947 1 818 . 1 . 1 178 178 ALA CA C 13 52.0500 0.0000 . 1 . . 9586 . . 297 ALA CA . 52947 1 819 . 1 . 1 178 178 ALA CB C 13 18.5300 0.0000 . 1 . . 8125 . . 297 ALA CB . 52947 1 820 . 1 . 1 178 178 ALA N N 15 124.5311 0.0000 . 1 . . 9585 . . 297 ALA N . 52947 1 821 . 1 . 1 179 179 ALA H H 1 8.1718 0.0000 . 1 . . 9875 . . 298 ALA H . 52947 1 822 . 1 . 1 179 179 ALA C C 13 177.6500 0.0000 . 1 . . 17289 . . 298 ALA C . 52947 1 823 . 1 . 1 179 179 ALA CA C 13 52.3329 0.0000 . 1 . . 9529 . . 298 ALA CA . 52947 1 824 . 1 . 1 179 179 ALA CB C 13 18.4620 0.0000 . 1 . . 17287 . . 298 ALA CB . 52947 1 825 . 1 . 1 179 179 ALA N N 15 122.6949 0.0000 . 1 . . 9876 . . 298 ALA N . 52947 1 826 . 1 . 1 180 180 HIS H H 1 8.1364 0.0000 . 1 . . 9167 . . 299 HIS H . 52947 1 827 . 1 . 1 180 180 HIS CA C 13 55.6210 0.0000 . 1 . . 9169 . . 299 HIS CA . 52947 1 828 . 1 . 1 180 180 HIS CB C 13 29.4960 0.0000 . 1 . . 7327 . . 299 HIS CB . 52947 1 829 . 1 . 1 180 180 HIS N N 15 117.4172 0.0000 . 1 . . 9168 . . 299 HIS N . 52947 1 830 . 1 . 1 181 181 PHE H H 1 8.0679 0.0000 . 1 . . 9380 . . 300 PHE H . 52947 1 831 . 1 . 1 181 181 PHE C C 13 175.7830 0.0000 . 1 . . 11968 . . 300 PHE C . 52947 1 832 . 1 . 1 181 181 PHE CA C 13 57.6330 0.0000 . 1 . . 7753 . . 300 PHE CA . 52947 1 833 . 1 . 1 181 181 PHE CB C 13 38.8700 0.0000 . 1 . . 7756 . . 300 PHE CB . 52947 1 834 . 1 . 1 181 181 PHE N N 15 120.8127 0.0000 . 1 . . 9381 . . 300 PHE N . 52947 1 835 . 1 . 1 182 182 MET H H 1 8.2359 0.0000 . 1 . . 13229 . . 301 MET H . 52947 1 836 . 1 . 1 182 182 MET C C 13 176.0100 0.0000 . 1 . . 13036 . . 301 MET C . 52947 1 837 . 1 . 1 182 182 MET CA C 13 55.1830 0.0000 . 1 . . 9109 . . 301 MET CA . 52947 1 838 . 1 . 1 182 182 MET CB C 13 31.9720 0.0000 . 1 . . 10216 . . 301 MET CB . 52947 1 839 . 1 . 1 182 182 MET N N 15 121.5425 0.0000 . 1 . . 13230 . . 301 MET N . 52947 1 840 . 1 . 1 183 183 SER H H 1 8.1827 0.0000 . 1 . . 13034 . . 302 SER H . 52947 1 841 . 1 . 1 183 183 SER C C 13 174.5270 0.0000 . 1 . . 11779 . . 302 SER C . 52947 1 842 . 1 . 1 183 183 SER CA C 13 58.2500 0.0000 . 1 . . 7249 . . 302 SER CA . 52947 1 843 . 1 . 1 183 183 SER CB C 13 63.5490 0.0000 . 1 . . 7252 . . 302 SER CB . 52947 1 844 . 1 . 1 183 183 SER N N 15 116.3989 0.0000 . 1 . . 13035 . . 302 SER N . 52947 1 845 . 1 . 1 184 184 GLN H H 1 8.3629 0.0000 . 1 . . 13235 . . 303 GLN H . 52947 1 846 . 1 . 1 184 184 GLN C C 13 175.8280 0.0000 . 1 . . 12019 . . 303 GLN C . 52947 1 847 . 1 . 1 184 184 GLN CA C 13 55.6110 0.0000 . 1 . . 8683 . . 303 GLN CA . 52947 1 848 . 1 . 1 184 184 GLN CB C 13 28.5250 0.0000 . 1 . . 7867 . . 303 GLN CB . 52947 1 849 . 1 . 1 184 184 GLN N N 15 121.5810 0.0000 . 1 . . 13236 . . 303 GLN N . 52947 1 850 . 1 . 1 185 185 MET H H 1 8.2872 0.0000 . 1 . . 9398 . . 304 MET H . 52947 1 851 . 1 . 1 185 185 MET C C 13 175.6480 0.0000 . 1 . . 12316 . . 304 MET C . 52947 1 852 . 1 . 1 185 185 MET CA C 13 55.0450 0.0000 . 1 . . 7783 . . 304 MET CA . 52947 1 853 . 1 . 1 185 185 MET CB C 13 32.3020 0.0000 . 1 . . 7777 . . 304 MET CB . 52947 1 854 . 1 . 1 185 185 MET N N 15 120.9373 0.0000 . 1 . . 9399 . . 304 MET N . 52947 1 855 . 1 . 1 186 186 GLY H H 1 7.9463 0.0000 . 1 . . 9062 . . 305 GLY H . 52947 1 856 . 1 . 1 186 186 GLY C C 13 178.9130 0.0000 . 1 . . 11743 . . 305 GLY C . 52947 1 857 . 1 . 1 186 186 GLY CA C 13 45.7365 0.0000 . 1 . . 7180 . . 305 GLY CA . 52947 1 858 . 1 . 1 186 186 GLY N N 15 115.8789 0.0000 . 1 . . 9063 . . 305 GLY N . 52947 1 stop_ save_