data_50204 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50204 _Entry.Title ; Musashi-1 C-terminal domain, residues 194-362 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-24 _Entry.Accession_date 2020-02-24 _Entry.Last_release_date 2020-02-25 _Entry.Original_release_date 2020-02-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.6.1 _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 Tsai-chen Chen . . . . 50204 2 Jie-rong Huang . . . 0000-0003-3674-2228 50204 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50204 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 462 50204 '15N chemical shifts' 145 50204 '1H chemical shifts' 145 50204 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 . . 2020-06-09 . original BMRB . 50204 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50204 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32225071 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Musashi-1: An Example of How Polyalanine Tracts Contribute to Self-Association in the Intrinsically Disordered Regions of RNA-Binding Proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci.' _Citation.Journal_name_full 'International journal of molecular sciences' _Citation.Journal_volume 21 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1422-0067 _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 2289 _Citation.Page_last 2289 _Citation.Year 2020 _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 Tsai-chen Chen . . . . 50204 1 2 Jie-rong Huang . . . . 50204 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50204 _Assembly.ID 1 _Assembly.Name Musashi-1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _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 Musashi-1 1 $entity_1 . . yes native no no . . . 50204 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50204 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Musashi-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 ; GSARGRSRVMPYGMDAFMLG IGMLGYPGFQATTYASRSYT GLAPGYTYQFPEFRVERSPL PSAPVLPELTAIPLTAYGPM AAAAAAAAVVRGTGSHPWTM APPPGSTPSRTGGFLGTTSP GPMAELYGAANQDSGVSSYI SAASPAPSTGFGHSLGGPLI ATAFTNGYH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 169 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 194 GLY . 50204 1 2 195 SER . 50204 1 3 196 ALA . 50204 1 4 197 ARG . 50204 1 5 198 GLY . 50204 1 6 199 ARG . 50204 1 7 200 SER . 50204 1 8 201 ARG . 50204 1 9 202 VAL . 50204 1 10 203 MET . 50204 1 11 204 PRO . 50204 1 12 205 TYR . 50204 1 13 206 GLY . 50204 1 14 207 MET . 50204 1 15 208 ASP . 50204 1 16 209 ALA . 50204 1 17 210 PHE . 50204 1 18 211 MET . 50204 1 19 212 LEU . 50204 1 20 213 GLY . 50204 1 21 214 ILE . 50204 1 22 215 GLY . 50204 1 23 216 MET . 50204 1 24 217 LEU . 50204 1 25 218 GLY . 50204 1 26 219 TYR . 50204 1 27 220 PRO . 50204 1 28 221 GLY . 50204 1 29 222 PHE . 50204 1 30 223 GLN . 50204 1 31 224 ALA . 50204 1 32 225 THR . 50204 1 33 226 THR . 50204 1 34 227 TYR . 50204 1 35 228 ALA . 50204 1 36 229 SER . 50204 1 37 230 ARG . 50204 1 38 231 SER . 50204 1 39 232 TYR . 50204 1 40 233 THR . 50204 1 41 234 GLY . 50204 1 42 235 LEU . 50204 1 43 236 ALA . 50204 1 44 237 PRO . 50204 1 45 238 GLY . 50204 1 46 239 TYR . 50204 1 47 240 THR . 50204 1 48 241 TYR . 50204 1 49 242 GLN . 50204 1 50 243 PHE . 50204 1 51 244 PRO . 50204 1 52 245 GLU . 50204 1 53 246 PHE . 50204 1 54 247 ARG . 50204 1 55 248 VAL . 50204 1 56 249 GLU . 50204 1 57 250 ARG . 50204 1 58 251 THR . 50204 1 59 252 PRO . 50204 1 60 253 LEU . 50204 1 61 254 PRO . 50204 1 62 255 SER . 50204 1 63 256 ALA . 50204 1 64 257 PRO . 50204 1 65 258 VAL . 50204 1 66 259 LEU . 50204 1 67 260 PRO . 50204 1 68 261 GLU . 50204 1 69 262 LEU . 50204 1 70 263 THR . 50204 1 71 264 ALA . 50204 1 72 265 ILE . 50204 1 73 266 PRO . 50204 1 74 267 LEU . 50204 1 75 268 THR . 50204 1 76 269 ALA . 50204 1 77 270 TYR . 50204 1 78 271 GLY . 50204 1 79 272 PRO . 50204 1 80 273 MET . 50204 1 81 274 ALA . 50204 1 82 275 ALA . 50204 1 83 276 ALA . 50204 1 84 277 ALA . 50204 1 85 278 ALA . 50204 1 86 279 ALA . 50204 1 87 280 ALA . 50204 1 88 281 ALA . 50204 1 89 282 VAL . 50204 1 90 283 VAL . 50204 1 91 284 ARG . 50204 1 92 285 GLY . 50204 1 93 286 THR . 50204 1 94 287 GLY . 50204 1 95 288 SER . 50204 1 96 289 HIS . 50204 1 97 290 PRO . 50204 1 98 291 TRP . 50204 1 99 292 THR . 50204 1 100 293 MET . 50204 1 101 294 ALA . 50204 1 102 295 PRO . 50204 1 103 296 PRO . 50204 1 104 297 PRO . 50204 1 105 298 GLY . 50204 1 106 299 SER . 50204 1 107 300 THR . 50204 1 108 301 PRO . 50204 1 109 302 SER . 50204 1 110 303 ARG . 50204 1 111 304 THR . 50204 1 112 305 GLY . 50204 1 113 306 GLY . 50204 1 114 307 PHE . 50204 1 115 308 LEU . 50204 1 116 309 GLY . 50204 1 117 310 THR . 50204 1 118 311 THR . 50204 1 119 312 SER . 50204 1 120 313 PRO . 50204 1 121 314 GLY . 50204 1 122 315 PRO . 50204 1 123 316 MET . 50204 1 124 317 ALA . 50204 1 125 318 GLU . 50204 1 126 319 LEU . 50204 1 127 320 TYR . 50204 1 128 321 GLY . 50204 1 129 322 ALA . 50204 1 130 323 ALA . 50204 1 131 324 ASN . 50204 1 132 325 GLN . 50204 1 133 326 ASP . 50204 1 134 327 SER . 50204 1 135 328 GLY . 50204 1 136 329 VAL . 50204 1 137 330 SER . 50204 1 138 331 SER . 50204 1 139 332 TYR . 50204 1 140 333 ILE . 50204 1 141 334 SER . 50204 1 142 335 ALA . 50204 1 143 336 ALA . 50204 1 144 337 SER . 50204 1 145 338 PRO . 50204 1 146 339 ALA . 50204 1 147 340 PRO . 50204 1 148 341 SER . 50204 1 149 342 THR . 50204 1 150 343 GLY . 50204 1 151 344 PHE . 50204 1 152 345 GLY . 50204 1 153 346 HIS . 50204 1 154 347 SER . 50204 1 155 348 LEU . 50204 1 156 349 GLY . 50204 1 157 350 GLY . 50204 1 158 351 PRO . 50204 1 159 352 LEU . 50204 1 160 353 ILE . 50204 1 161 354 ALA . 50204 1 162 355 THR . 50204 1 163 356 ALA . 50204 1 164 357 PHE . 50204 1 165 358 THR . 50204 1 166 359 ASN . 50204 1 167 360 GLY . 50204 1 168 361 TYR . 50204 1 169 362 HIS . 50204 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 50204 1 . SER 2 2 50204 1 . ALA 3 3 50204 1 . ARG 4 4 50204 1 . GLY 5 5 50204 1 . ARG 6 6 50204 1 . SER 7 7 50204 1 . ARG 8 8 50204 1 . VAL 9 9 50204 1 . MET 10 10 50204 1 . PRO 11 11 50204 1 . TYR 12 12 50204 1 . GLY 13 13 50204 1 . MET 14 14 50204 1 . ASP 15 15 50204 1 . ALA 16 16 50204 1 . PHE 17 17 50204 1 . MET 18 18 50204 1 . LEU 19 19 50204 1 . GLY 20 20 50204 1 . ILE 21 21 50204 1 . GLY 22 22 50204 1 . MET 23 23 50204 1 . LEU 24 24 50204 1 . GLY 25 25 50204 1 . TYR 26 26 50204 1 . PRO 27 27 50204 1 . GLY 28 28 50204 1 . PHE 29 29 50204 1 . GLN 30 30 50204 1 . ALA 31 31 50204 1 . THR 32 32 50204 1 . THR 33 33 50204 1 . TYR 34 34 50204 1 . ALA 35 35 50204 1 . SER 36 36 50204 1 . ARG 37 37 50204 1 . SER 38 38 50204 1 . TYR 39 39 50204 1 . THR 40 40 50204 1 . GLY 41 41 50204 1 . LEU 42 42 50204 1 . ALA 43 43 50204 1 . PRO 44 44 50204 1 . GLY 45 45 50204 1 . TYR 46 46 50204 1 . THR 47 47 50204 1 . TYR 48 48 50204 1 . GLN 49 49 50204 1 . PHE 50 50 50204 1 . PRO 51 51 50204 1 . GLU 52 52 50204 1 . PHE 53 53 50204 1 . ARG 54 54 50204 1 . VAL 55 55 50204 1 . GLU 56 56 50204 1 . ARG 57 57 50204 1 . SER 58 58 50204 1 . PRO 59 59 50204 1 . LEU 60 60 50204 1 . PRO 61 61 50204 1 . SER 62 62 50204 1 . ALA 63 63 50204 1 . PRO 64 64 50204 1 . VAL 65 65 50204 1 . LEU 66 66 50204 1 . PRO 67 67 50204 1 . GLU 68 68 50204 1 . LEU 69 69 50204 1 . THR 70 70 50204 1 . ALA 71 71 50204 1 . ILE 72 72 50204 1 . PRO 73 73 50204 1 . LEU 74 74 50204 1 . THR 75 75 50204 1 . ALA 76 76 50204 1 . TYR 77 77 50204 1 . GLY 78 78 50204 1 . PRO 79 79 50204 1 . MET 80 80 50204 1 . ALA 81 81 50204 1 . ALA 82 82 50204 1 . ALA 83 83 50204 1 . ALA 84 84 50204 1 . ALA 85 85 50204 1 . ALA 86 86 50204 1 . ALA 87 87 50204 1 . ALA 88 88 50204 1 . VAL 89 89 50204 1 . VAL 90 90 50204 1 . ARG 91 91 50204 1 . GLY 92 92 50204 1 . THR 93 93 50204 1 . GLY 94 94 50204 1 . SER 95 95 50204 1 . HIS 96 96 50204 1 . PRO 97 97 50204 1 . TRP 98 98 50204 1 . THR 99 99 50204 1 . MET 100 100 50204 1 . ALA 101 101 50204 1 . PRO 102 102 50204 1 . PRO 103 103 50204 1 . PRO 104 104 50204 1 . GLY 105 105 50204 1 . SER 106 106 50204 1 . THR 107 107 50204 1 . PRO 108 108 50204 1 . SER 109 109 50204 1 . ARG 110 110 50204 1 . THR 111 111 50204 1 . GLY 112 112 50204 1 . GLY 113 113 50204 1 . PHE 114 114 50204 1 . LEU 115 115 50204 1 . GLY 116 116 50204 1 . THR 117 117 50204 1 . THR 118 118 50204 1 . SER 119 119 50204 1 . PRO 120 120 50204 1 . GLY 121 121 50204 1 . PRO 122 122 50204 1 . MET 123 123 50204 1 . ALA 124 124 50204 1 . GLU 125 125 50204 1 . LEU 126 126 50204 1 . TYR 127 127 50204 1 . GLY 128 128 50204 1 . ALA 129 129 50204 1 . ALA 130 130 50204 1 . ASN 131 131 50204 1 . GLN 132 132 50204 1 . ASP 133 133 50204 1 . SER 134 134 50204 1 . GLY 135 135 50204 1 . VAL 136 136 50204 1 . SER 137 137 50204 1 . SER 138 138 50204 1 . TYR 139 139 50204 1 . ILE 140 140 50204 1 . SER 141 141 50204 1 . ALA 142 142 50204 1 . ALA 143 143 50204 1 . SER 144 144 50204 1 . PRO 145 145 50204 1 . ALA 146 146 50204 1 . PRO 147 147 50204 1 . SER 148 148 50204 1 . THR 149 149 50204 1 . GLY 150 150 50204 1 . PHE 151 151 50204 1 . GLY 152 152 50204 1 . HIS 153 153 50204 1 . SER 154 154 50204 1 . LEU 155 155 50204 1 . GLY 156 156 50204 1 . GLY 157 157 50204 1 . PRO 158 158 50204 1 . LEU 159 159 50204 1 . ILE 160 160 50204 1 . ALA 161 161 50204 1 . THR 162 162 50204 1 . ALA 163 163 50204 1 . PHE 164 164 50204 1 . THR 165 165 50204 1 . ASN 166 166 50204 1 . GLY 167 167 50204 1 . TYR 168 168 50204 1 . HIS 169 169 50204 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 50204 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50204 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 50204 _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' . . . . . . . . plasmid . . pET21 . . . 50204 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50204 _Sample.ID 1 _Sample.Name Musashi-1C _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 Musashi-1 '[U-99% 15N]' . . 1 $entity_1 . . 20-100 . . uM . . . . 50204 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 50204 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Musahi-1 sample condition' _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 5.5 . pH 50204 1 pressure 1 . atm 50204 1 temperature 283 . K 50204 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50204 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID SPARKY 'chemical shift assignment' 50204 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 50204 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50204 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50204 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50204 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50204 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50204 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50204 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50204 1 7 '3D (H)N(COCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50204 1 8 '3D (HN)CO(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50204 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 50204 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name water _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 carbon . . . . ppm 0 na indirect 1 . . . . . 50204 1 H 1 water protons . . . . ppm 0 internal direct 1 . . . . . 50204 1 N 15 water nitrogen . . . . ppm 0 na indirect 1 . . . . . 50204 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 50204 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name musashi-1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 5 '3D HNCACB' . . . 50204 1 6 '3D HN(CO)CA' . . . 50204 1 7 '3D (H)N(COCO)NH' . . . 50204 1 8 '3D (HN)CO(CO)NH' . . . 50204 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 . . 50204 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY H H 1 8.479 . . . . . . . . 194 G HN . 50204 1 2 . 1 . 1 1 1 GLY C C 13 173.819 . . . . . . . . 194 G CO . 50204 1 3 . 1 . 1 1 1 GLY CA C 13 45.006 . . . . . . . . 194 G CA . 50204 1 4 . 1 . 1 1 1 GLY N N 15 110.654 . . . . . . . . 194 G N . 50204 1 5 . 1 . 1 2 2 SER H H 1 8.318 . . . . . . . . 195 S HN . 50204 1 6 . 1 . 1 2 2 SER C C 13 174.313 . . . . . . . . 195 S CO . 50204 1 7 . 1 . 1 2 2 SER CA C 13 58.085 . . . . . . . . 195 S CA . 50204 1 8 . 1 . 1 2 2 SER CB C 13 64.004 . . . . . . . . 195 S CB . 50204 1 9 . 1 . 1 2 2 SER N N 15 115.761 . . . . . . . . 195 S N . 50204 1 10 . 1 . 1 3 3 ALA H H 1 8.457 . . . . . . . . 196 A HN . 50204 1 11 . 1 . 1 3 3 ALA C C 13 177.669 . . . . . . . . 196 A CO . 50204 1 12 . 1 . 1 3 3 ALA CA C 13 52.533 . . . . . . . . 196 A CA . 50204 1 13 . 1 . 1 3 3 ALA CB C 13 19.042 . . . . . . . . 196 A CB . 50204 1 14 . 1 . 1 3 3 ALA N N 15 126.252 . . . . . . . . 196 A N . 50204 1 15 . 1 . 1 4 4 ARG H H 1 8.338 . . . . . . . . 197 R HN . 50204 1 16 . 1 . 1 4 4 ARG C C 13 176.789 . . . . . . . . 197 R CO . 50204 1 17 . 1 . 1 4 4 ARG CA C 13 56.145 . . . . . . . . 197 R CA . 50204 1 18 . 1 . 1 4 4 ARG CB C 13 30.696 . . . . . . . . 197 R CB . 50204 1 19 . 1 . 1 4 4 ARG N N 15 120.460 . . . . . . . . 197 R N . 50204 1 20 . 1 . 1 5 5 GLY H H 1 8.376 . . . . . . . . 198 G HN . 50204 1 21 . 1 . 1 5 5 GLY C C 13 173.838 . . . . . . . . 198 G CO . 50204 1 22 . 1 . 1 5 5 GLY CA C 13 45.049 . . . . . . . . 198 G CA . 50204 1 23 . 1 . 1 5 5 GLY N N 15 110.044 . . . . . . . . 198 G N . 50204 1 24 . 1 . 1 6 6 ARG H H 1 8.235 . . . . . . . . 199 R HN . 50204 1 25 . 1 . 1 6 6 ARG C C 13 176.342 . . . . . . . . 199 R CO . 50204 1 26 . 1 . 1 6 6 ARG CA C 13 55.938 . . . . . . . . 199 R CA . 50204 1 27 . 1 . 1 6 6 ARG CB C 13 30.799 . . . . . . . . 199 R CB . 50204 1 28 . 1 . 1 6 6 ARG N N 15 120.578 . . . . . . . . 199 R N . 50204 1 29 . 1 . 1 7 7 SER H H 1 8.340 . . . . . . . . 200 S HN . 50204 1 30 . 1 . 1 7 7 SER C C 13 174.217 . . . . . . . . 200 S CO . 50204 1 31 . 1 . 1 7 7 SER CA C 13 58.231 . . . . . . . . 200 S CA . 50204 1 32 . 1 . 1 7 7 SER CB C 13 63.874 . . . . . . . . 200 S CB . 50204 1 33 . 1 . 1 7 7 SER N N 15 117.318 . . . . . . . . 200 S N . 50204 1 34 . 1 . 1 8 8 ARG H H 1 8.413 . . . . . . . . 201 R HN . 50204 1 35 . 1 . 1 8 8 ARG C C 13 175.833 . . . . . . . . 201 R CO . 50204 1 36 . 1 . 1 8 8 ARG CA C 13 56.119 . . . . . . . . 201 R CA . 50204 1 37 . 1 . 1 8 8 ARG CB C 13 30.758 . . . . . . . . 201 R CB . 50204 1 38 . 1 . 1 8 8 ARG N N 15 123.025 . . . . . . . . 201 R N . 50204 1 39 . 1 . 1 9 9 VAL H H 1 8.149 . . . . . . . . 202 V HN . 50204 1 40 . 1 . 1 9 9 VAL C C 13 175.723 . . . . . . . . 202 V CO . 50204 1 41 . 1 . 1 9 9 VAL CA C 13 62.279 . . . . . . . . 202 V CA . 50204 1 42 . 1 . 1 9 9 VAL CB C 13 32.520 . . . . . . . . 202 V CB . 50204 1 43 . 1 . 1 9 9 VAL N N 15 121.367 . . . . . . . . 202 V N . 50204 1 44 . 1 . 1 10 10 MET H H 1 8.364 . . . . . . . . 203 M HN . 50204 1 45 . 1 . 1 10 10 MET C C 13 174.087 . . . . . . . . 203 M CO . 50204 1 46 . 1 . 1 10 10 MET CA C 13 52.736 . . . . . . . . 203 M CA . 50204 1 47 . 1 . 1 10 10 MET CB C 13 32.374 . . . . . . . . 203 M CB . 50204 1 48 . 1 . 1 10 10 MET N N 15 125.521 . . . . . . . . 203 M N . 50204 1 49 . 1 . 1 11 11 PRO C C 13 176.092 . . . . . . . . 204 P CO . 50204 1 50 . 1 . 1 11 11 PRO CA C 13 63.067 . . . . . . . . 204 P CA . 50204 1 51 . 1 . 1 11 11 PRO CB C 13 31.881 . . . . . . . . 204 P CB . 50204 1 52 . 1 . 1 12 12 TYR H H 1 8.181 . . . . . . . . 205 Y HN . 50204 1 53 . 1 . 1 12 12 TYR C C 13 176.271 . . . . . . . . 205 Y CO . 50204 1 54 . 1 . 1 12 12 TYR CA C 13 58.018 . . . . . . . . 205 Y CA . 50204 1 55 . 1 . 1 12 12 TYR CB C 13 38.570 . . . . . . . . 205 Y CB . 50204 1 56 . 1 . 1 12 12 TYR N N 15 119.824 . . . . . . . . 205 Y N . 50204 1 57 . 1 . 1 13 13 GLY H H 1 8.230 . . . . . . . . 206 G HN . 50204 1 58 . 1 . 1 13 13 GLY C C 13 174.316 . . . . . . . . 206 G CO . 50204 1 59 . 1 . 1 13 13 GLY CA C 13 45.149 . . . . . . . . 206 G CA . 50204 1 60 . 1 . 1 13 13 GLY N N 15 110.905 . . . . . . . . 206 G N . 50204 1 61 . 1 . 1 14 14 MET H H 1 8.108 . . . . . . . . 207 M HN . 50204 1 62 . 1 . 1 14 14 MET C C 13 176.096 . . . . . . . . 207 M CO . 50204 1 63 . 1 . 1 14 14 MET CA C 13 55.819 . . . . . . . . 207 M CA . 50204 1 64 . 1 . 1 14 14 MET CB C 13 32.523 . . . . . . . . 207 M CB . 50204 1 65 . 1 . 1 14 14 MET N N 15 119.738 . . . . . . . . 207 M N . 50204 1 66 . 1 . 1 15 15 ASP H H 1 8.291 . . . . . . . . 208 D HN . 50204 1 67 . 1 . 1 15 15 ASP C C 13 176.431 . . . . . . . . 208 D CO . 50204 1 68 . 1 . 1 15 15 ASP CA C 13 54.819 . . . . . . . . 208 D CA . 50204 1 69 . 1 . 1 15 15 ASP CB C 13 40.898 . . . . . . . . 208 D CB . 50204 1 70 . 1 . 1 15 15 ASP N N 15 120.403 . . . . . . . . 208 D N . 50204 1 71 . 1 . 1 16 16 ALA H H 1 8.062 . . . . . . . . 209 A HN . 50204 1 72 . 1 . 1 16 16 ALA C C 13 178.275 . . . . . . . . 209 A CO . 50204 1 73 . 1 . 1 16 16 ALA CA C 13 53.525 . . . . . . . . 209 A CA . 50204 1 74 . 1 . 1 16 16 ALA CB C 13 18.616 . . . . . . . . 209 A CB . 50204 1 75 . 1 . 1 16 16 ALA N N 15 122.840 . . . . . . . . 209 A N . 50204 1 76 . 1 . 1 17 17 PHE H H 1 8.014 . . . . . . . . 210 F HN . 50204 1 77 . 1 . 1 17 17 PHE C C 13 176.473 . . . . . . . . 210 F CO . 50204 1 78 . 1 . 1 17 17 PHE CB C 13 39.047 . . . . . . . . 210 F CB . 50204 1 79 . 1 . 1 17 17 PHE N N 15 118.164 . . . . . . . . 210 F N . 50204 1 80 . 1 . 1 18 18 MET H H 1 8.017 . . . . . . . . 211 M HN . 50204 1 81 . 1 . 1 18 18 MET C C 13 175.085 . . . . . . . . 211 M CO . 50204 1 82 . 1 . 1 18 18 MET N N 15 119.721 . . . . . . . . 211 M N . 50204 1 83 . 1 . 1 19 19 LEU H H 1 7.945 . . . . . . . . 212 L HN . 50204 1 84 . 1 . 1 19 19 LEU C C 13 177.810 . . . . . . . . 212 L CO . 50204 1 85 . 1 . 1 19 19 LEU CA C 13 55.217 . . . . . . . . 212 L CA . 50204 1 86 . 1 . 1 19 19 LEU N N 15 121.875 . . . . . . . . 212 L N . 50204 1 87 . 1 . 1 20 20 GLY H H 1 8.031 . . . . . . . . 213 G HN . 50204 1 88 . 1 . 1 20 20 GLY C C 13 174.205 . . . . . . . . 213 G CO . 50204 1 89 . 1 . 1 20 20 GLY CA C 13 45.380 . . . . . . . . 213 G CA . 50204 1 90 . 1 . 1 20 20 GLY N N 15 108.570 . . . . . . . . 213 G N . 50204 1 91 . 1 . 1 21 21 ILE H H 1 7.773 . . . . . . . . 214 I HN . 50204 1 92 . 1 . 1 21 21 ILE C C 13 176.803 . . . . . . . . 214 I CO . 50204 1 93 . 1 . 1 21 21 ILE CA C 13 61.645 . . . . . . . . 214 I CA . 50204 1 94 . 1 . 1 21 21 ILE N N 15 119.044 . . . . . . . . 214 I N . 50204 1 95 . 1 . 1 22 22 GLY H H 1 8.310 . . . . . . . . 215 G HN . 50204 1 96 . 1 . 1 22 22 GLY C C 13 174.184 . . . . . . . . 215 G CO . 50204 1 97 . 1 . 1 22 22 GLY CA C 13 45.422 . . . . . . . . 215 G CA . 50204 1 98 . 1 . 1 22 22 GLY N N 15 111.882 . . . . . . . . 215 G N . 50204 1 99 . 1 . 1 23 23 MET H H 1 7.969 . . . . . . . . 216 M HN . 50204 1 100 . 1 . 1 23 23 MET C C 13 175.397 . . . . . . . . 216 M CO . 50204 1 101 . 1 . 1 23 23 MET CA C 13 55.325 . . . . . . . . 216 M CA . 50204 1 102 . 1 . 1 23 23 MET CB C 13 32.852 . . . . . . . . 216 M CB . 50204 1 103 . 1 . 1 23 23 MET N N 15 119.205 . . . . . . . . 216 M N . 50204 1 104 . 1 . 1 24 24 LEU C C 13 177.508 . . . . . . . . 217 L CO . 50204 1 105 . 1 . 1 25 25 GLY H H 1 8.219 . . . . . . . . 218 G HN . 50204 1 106 . 1 . 1 25 25 GLY C C 13 173.258 . . . . . . . . 218 G CO . 50204 1 107 . 1 . 1 25 25 GLY CA C 13 44.840 . . . . . . . . 218 G CA . 50204 1 108 . 1 . 1 25 25 GLY N N 15 109.036 . . . . . . . . 218 G N . 50204 1 109 . 1 . 1 26 26 TYR H H 1 7.878 . . . . . . . . 219 Y HN . 50204 1 110 . 1 . 1 26 26 TYR C C 13 174.144 . . . . . . . . 219 Y CO . 50204 1 111 . 1 . 1 26 26 TYR CA C 13 55.881 . . . . . . . . 219 Y CA . 50204 1 112 . 1 . 1 26 26 TYR CB C 13 38.008 . . . . . . . . 219 Y CB . 50204 1 113 . 1 . 1 26 26 TYR N N 15 121.015 . . . . . . . . 219 Y N . 50204 1 114 . 1 . 1 27 27 PRO C C 13 177.166 . . . . . . . . 220 P CO . 50204 1 115 . 1 . 1 27 27 PRO CA C 13 63.774 . . . . . . . . 220 P CA . 50204 1 116 . 1 . 1 27 27 PRO CB C 13 31.675 . . . . . . . . 220 P CB . 50204 1 117 . 1 . 1 28 28 GLY H H 1 7.975 . . . . . . . . 221 G HN . 50204 1 118 . 1 . 1 28 28 GLY C C 13 173.895 . . . . . . . . 221 G CO . 50204 1 119 . 1 . 1 28 28 GLY CA C 13 45.160 . . . . . . . . 221 G CA . 50204 1 120 . 1 . 1 28 28 GLY N N 15 108.794 . . . . . . . . 221 G N . 50204 1 121 . 1 . 1 29 29 PHE H H 1 7.999 . . . . . . . . 222 F HN . 50204 1 122 . 1 . 1 29 29 PHE C C 13 175.524 . . . . . . . . 222 F CO . 50204 1 123 . 1 . 1 29 29 PHE CA C 13 58.275 . . . . . . . . 222 F CA . 50204 1 124 . 1 . 1 29 29 PHE CB C 13 39.489 . . . . . . . . 222 F CB . 50204 1 125 . 1 . 1 29 29 PHE N N 15 120.327 . . . . . . . . 222 F N . 50204 1 126 . 1 . 1 30 30 GLN H H 1 8.189 . . . . . . . . 223 Q HN . 50204 1 127 . 1 . 1 30 30 GLN C C 13 174.981 . . . . . . . . 223 Q CO . 50204 1 128 . 1 . 1 30 30 GLN CA C 13 55.425 . . . . . . . . 223 Q CA . 50204 1 129 . 1 . 1 30 30 GLN CB C 13 29.498 . . . . . . . . 223 Q CB . 50204 1 130 . 1 . 1 30 30 GLN N N 15 122.706 . . . . . . . . 223 Q N . 50204 1 131 . 1 . 1 31 31 ALA H H 1 8.231 . . . . . . . . 224 A HN . 50204 1 132 . 1 . 1 31 31 ALA C C 13 177.961 . . . . . . . . 224 A CO . 50204 1 133 . 1 . 1 31 31 ALA CA C 13 52.758 . . . . . . . . 224 A CA . 50204 1 134 . 1 . 1 31 31 ALA CB C 13 19.150 . . . . . . . . 224 A CB . 50204 1 135 . 1 . 1 31 31 ALA N N 15 125.211 . . . . . . . . 224 A N . 50204 1 136 . 1 . 1 32 32 THR H H 1 8.083 . . . . . . . . 225 T HN . 50204 1 137 . 1 . 1 32 32 THR C C 13 174.723 . . . . . . . . 225 T CO . 50204 1 138 . 1 . 1 32 32 THR CA C 13 62.023 . . . . . . . . 225 T CA . 50204 1 139 . 1 . 1 32 32 THR CB C 13 69.716 . . . . . . . . 225 T CB . 50204 1 140 . 1 . 1 32 32 THR N N 15 112.755 . . . . . . . . 225 T N . 50204 1 141 . 1 . 1 33 33 THR H H 1 7.964 . . . . . . . . 226 T HN . 50204 1 142 . 1 . 1 33 33 THR C C 13 174.281 . . . . . . . . 226 T CO . 50204 1 143 . 1 . 1 33 33 THR CA C 13 61.908 . . . . . . . . 226 T CA . 50204 1 144 . 1 . 1 33 33 THR CB C 13 69.725 . . . . . . . . 226 T CB . 50204 1 145 . 1 . 1 33 33 THR N N 15 115.626 . . . . . . . . 226 T N . 50204 1 146 . 1 . 1 34 34 TYR H H 1 8.114 . . . . . . . . 227 Y HN . 50204 1 147 . 1 . 1 34 34 TYR C C 13 175.716 . . . . . . . . 227 Y CO . 50204 1 148 . 1 . 1 34 34 TYR CA C 13 58.229 . . . . . . . . 227 Y CA . 50204 1 149 . 1 . 1 34 34 TYR CB C 13 38.581 . . . . . . . . 227 Y CB . 50204 1 150 . 1 . 1 34 34 TYR N N 15 122.010 . . . . . . . . 227 Y N . 50204 1 151 . 1 . 1 35 35 ALA H H 1 8.119 . . . . . . . . 228 A HN . 50204 1 152 . 1 . 1 35 35 ALA C C 13 177.545 . . . . . . . . 228 A CO . 50204 1 153 . 1 . 1 35 35 ALA CA C 13 52.635 . . . . . . . . 228 A CA . 50204 1 154 . 1 . 1 35 35 ALA CB C 13 19.112 . . . . . . . . 228 A CB . 50204 1 155 . 1 . 1 35 35 ALA N N 15 124.590 . . . . . . . . 228 A N . 50204 1 156 . 1 . 1 36 36 SER H H 1 8.104 . . . . . . . . 229 S HN . 50204 1 157 . 1 . 1 36 36 SER C C 13 174.636 . . . . . . . . 229 S CO . 50204 1 158 . 1 . 1 36 36 SER CA C 13 58.551 . . . . . . . . 229 S CA . 50204 1 159 . 1 . 1 36 36 SER CB C 13 63.656 . . . . . . . . 229 S CB . 50204 1 160 . 1 . 1 36 36 SER N N 15 114.563 . . . . . . . . 229 S N . 50204 1 161 . 1 . 1 37 37 ARG H H 1 8.202 . . . . . . . . 230 R HN . 50204 1 162 . 1 . 1 37 37 ARG C C 13 175.981 . . . . . . . . 230 R CO . 50204 1 163 . 1 . 1 37 37 ARG CA C 13 56.164 . . . . . . . . 230 R CA . 50204 1 164 . 1 . 1 37 37 ARG CB C 13 30.557 . . . . . . . . 230 R CB . 50204 1 165 . 1 . 1 37 37 ARG N N 15 122.332 . . . . . . . . 230 R N . 50204 1 166 . 1 . 1 38 38 SER H H 1 8.165 . . . . . . . . 231 S HN . 50204 1 167 . 1 . 1 38 38 SER C C 13 173.963 . . . . . . . . 231 S CO . 50204 1 168 . 1 . 1 38 38 SER CA C 13 58.124 . . . . . . . . 231 S CA . 50204 1 169 . 1 . 1 38 38 SER CB C 13 63.766 . . . . . . . . 231 S CB . 50204 1 170 . 1 . 1 38 38 SER N N 15 115.968 . . . . . . . . 231 S N . 50204 1 171 . 1 . 1 39 39 TYR H H 1 8.189 . . . . . . . . 232 Y HN . 50204 1 172 . 1 . 1 39 39 TYR C C 13 175.900 . . . . . . . . 232 Y CO . 50204 1 173 . 1 . 1 39 39 TYR CA C 13 57.909 . . . . . . . . 232 Y CA . 50204 1 174 . 1 . 1 39 39 TYR CB C 13 38.758 . . . . . . . . 232 Y CB . 50204 1 175 . 1 . 1 39 39 TYR N N 15 122.287 . . . . . . . . 232 Y N . 50204 1 176 . 1 . 1 40 40 THR H H 1 8.077 . . . . . . . . 233 T HN . 50204 1 177 . 1 . 1 40 40 THR C C 13 174.695 . . . . . . . . 233 T CO . 50204 1 178 . 1 . 1 40 40 THR CA C 13 61.763 . . . . . . . . 233 T CA . 50204 1 179 . 1 . 1 40 40 THR CB C 13 69.693 . . . . . . . . 233 T CB . 50204 1 180 . 1 . 1 40 40 THR N N 15 115.400 . . . . . . . . 233 T N . 50204 1 181 . 1 . 1 41 41 GLY H H 1 7.715 . . . . . . . . 234 G HN . 50204 1 182 . 1 . 1 41 41 GLY C C 13 173.450 . . . . . . . . 234 G CO . 50204 1 183 . 1 . 1 41 41 GLY CA C 13 45.090 . . . . . . . . 234 G CA . 50204 1 184 . 1 . 1 41 41 GLY N N 15 110.435 . . . . . . . . 234 G N . 50204 1 185 . 1 . 1 42 42 LEU H H 1 7.957 . . . . . . . . 235 L HN . 50204 1 186 . 1 . 1 42 42 LEU C C 13 176.726 . . . . . . . . 235 L CO . 50204 1 187 . 1 . 1 42 42 LEU CA C 13 54.534 . . . . . . . . 235 L CA . 50204 1 188 . 1 . 1 42 42 LEU CB C 13 42.450 . . . . . . . . 235 L CB . 50204 1 189 . 1 . 1 42 42 LEU N N 15 121.039 . . . . . . . . 235 L N . 50204 1 190 . 1 . 1 43 43 ALA H H 1 8.251 . . . . . . . . 236 A HN . 50204 1 191 . 1 . 1 43 43 ALA C C 13 175.186 . . . . . . . . 236 A CO . 50204 1 192 . 1 . 1 43 43 ALA CA C 13 50.434 . . . . . . . . 236 A CA . 50204 1 193 . 1 . 1 43 43 ALA CB C 13 17.997 . . . . . . . . 236 A CB . 50204 1 194 . 1 . 1 43 43 ALA N N 15 126.176 . . . . . . . . 236 A N . 50204 1 195 . 1 . 1 44 44 PRO C C 13 177.419 . . . . . . . . 237 P CO . 50204 1 196 . 1 . 1 44 44 PRO CA C 13 63.439 . . . . . . . . 237 P CA . 50204 1 197 . 1 . 1 44 44 PRO CB C 13 31.831 . . . . . . . . 237 P CB . 50204 1 198 . 1 . 1 45 45 GLY H H 1 8.414 . . . . . . . . 238 G HN . 50204 1 199 . 1 . 1 45 45 GLY C C 13 173.837 . . . . . . . . 238 G CO . 50204 1 200 . 1 . 1 45 45 GLY CA C 13 45.125 . . . . . . . . 238 G CA . 50204 1 201 . 1 . 1 45 45 GLY N N 15 109.209 . . . . . . . . 238 G N . 50204 1 202 . 1 . 1 46 46 TYR H H 1 7.881 . . . . . . . . 239 Y HN . 50204 1 203 . 1 . 1 46 46 TYR C C 13 175.663 . . . . . . . . 239 Y CO . 50204 1 204 . 1 . 1 46 46 TYR CA C 13 58.130 . . . . . . . . 239 Y CA . 50204 1 205 . 1 . 1 46 46 TYR CB C 13 39.073 . . . . . . . . 239 Y CB . 50204 1 206 . 1 . 1 46 46 TYR N N 15 119.925 . . . . . . . . 239 Y N . 50204 1 207 . 1 . 1 47 47 THR H H 1 7.943 . . . . . . . . 240 T HN . 50204 1 208 . 1 . 1 47 47 THR C C 13 173.549 . . . . . . . . 240 T CO . 50204 1 209 . 1 . 1 47 47 THR CA C 13 61.461 . . . . . . . . 240 T CA . 50204 1 210 . 1 . 1 47 47 THR CB C 13 70.096 . . . . . . . . 240 T CB . 50204 1 211 . 1 . 1 47 47 THR N N 15 115.668 . . . . . . . . 240 T N . 50204 1 212 . 1 . 1 48 48 TYR H H 1 8.010 . . . . . . . . 241 Y HN . 50204 1 213 . 1 . 1 48 48 TYR CA C 13 58.059 . . . . . . . . 241 Y CA . 50204 1 214 . 1 . 1 48 48 TYR N N 15 122.313 . . . . . . . . 241 Y N . 50204 1 215 . 1 . 1 51 51 PRO C C 13 176.530 . . . . . . . . 244 P CO . 50204 1 216 . 1 . 1 51 51 PRO CA C 13 63.337 . . . . . . . . 244 P CA . 50204 1 217 . 1 . 1 51 51 PRO CB C 13 31.864 . . . . . . . . 244 P CB . 50204 1 218 . 1 . 1 52 52 GLU H H 1 8.501 . . . . . . . . 245 E HN . 50204 1 219 . 1 . 1 52 52 GLU C C 13 175.992 . . . . . . . . 245 E CO . 50204 1 220 . 1 . 1 52 52 GLU CA C 13 56.624 . . . . . . . . 245 E CA . 50204 1 221 . 1 . 1 52 52 GLU CB C 13 30.040 . . . . . . . . 245 E CB . 50204 1 222 . 1 . 1 52 52 GLU N N 15 120.300 . . . . . . . . 245 E N . 50204 1 223 . 1 . 1 53 53 PHE H H 1 8.138 . . . . . . . . 246 F HN . 50204 1 224 . 1 . 1 53 53 PHE C C 13 175.093 . . . . . . . . 246 F CO . 50204 1 225 . 1 . 1 53 53 PHE CA C 13 57.468 . . . . . . . . 246 F CA . 50204 1 226 . 1 . 1 53 53 PHE CB C 13 39.492 . . . . . . . . 246 F CB . 50204 1 227 . 1 . 1 53 53 PHE N N 15 121.040 . . . . . . . . 246 F N . 50204 1 228 . 1 . 1 54 54 ARG H H 1 8.083 . . . . . . . . 247 R HN . 50204 1 229 . 1 . 1 54 54 ARG C C 13 175.389 . . . . . . . . 247 R CO . 50204 1 230 . 1 . 1 54 54 ARG CA C 13 55.595 . . . . . . . . 247 R CA . 50204 1 231 . 1 . 1 54 54 ARG CB C 13 31.045 . . . . . . . . 247 R CB . 50204 1 232 . 1 . 1 54 54 ARG N N 15 123.456 . . . . . . . . 247 R N . 50204 1 233 . 1 . 1 55 55 VAL H H 1 8.175 . . . . . . . . 248 V HN . 50204 1 234 . 1 . 1 55 55 VAL C C 13 175.926 . . . . . . . . 248 V CO . 50204 1 235 . 1 . 1 55 55 VAL CA C 13 62.234 . . . . . . . . 248 V CA . 50204 1 236 . 1 . 1 55 55 VAL CB C 13 32.604 . . . . . . . . 248 V CB . 50204 1 237 . 1 . 1 55 55 VAL N N 15 122.243 . . . . . . . . 248 V N . 50204 1 238 . 1 . 1 56 56 GLU H H 1 8.544 . . . . . . . . 249 E HN . 50204 1 239 . 1 . 1 56 56 GLU C C 13 176.039 . . . . . . . . 249 E CO . 50204 1 240 . 1 . 1 56 56 GLU CA C 13 56.182 . . . . . . . . 249 E CA . 50204 1 241 . 1 . 1 56 56 GLU CB C 13 30.211 . . . . . . . . 249 E CB . 50204 1 242 . 1 . 1 56 56 GLU N N 15 125.257 . . . . . . . . 249 E N . 50204 1 243 . 1 . 1 57 57 ARG H H 1 8.423 . . . . . . . . 250 R HN . 50204 1 244 . 1 . 1 57 57 ARG C C 13 176.007 . . . . . . . . 250 R CO . 50204 1 245 . 1 . 1 57 57 ARG CA C 13 55.762 . . . . . . . . 250 R CA . 50204 1 246 . 1 . 1 57 57 ARG CB C 13 30.730 . . . . . . . . 250 R CB . 50204 1 247 . 1 . 1 57 57 ARG N N 15 122.624 . . . . . . . . 250 R N . 50204 1 248 . 1 . 1 58 58 THR H H 1 8.232 . . . . . . . . 251 T HN . 50204 1 249 . 1 . 1 58 58 THR C C 13 172.539 . . . . . . . . 251 T CO . 50204 1 250 . 1 . 1 58 58 THR CA C 13 59.916 . . . . . . . . 251 T CA . 50204 1 251 . 1 . 1 58 58 THR CB C 13 69.638 . . . . . . . . 251 T CB . 50204 1 252 . 1 . 1 58 58 THR N N 15 118.662 . . . . . . . . 251 T N . 50204 1 253 . 1 . 1 59 59 PRO C C 13 176.537 . . . . . . . . 252 P CO . 50204 1 254 . 1 . 1 59 59 PRO CA C 13 62.887 . . . . . . . . 252 P CA . 50204 1 255 . 1 . 1 59 59 PRO CB C 13 32.054 . . . . . . . . 252 P CB . 50204 1 256 . 1 . 1 60 60 LEU H H 1 8.357 . . . . . . . . 253 L HN . 50204 1 257 . 1 . 1 60 60 LEU C C 13 175.437 . . . . . . . . 253 L CO . 50204 1 258 . 1 . 1 60 60 LEU CA C 13 53.009 . . . . . . . . 253 L CA . 50204 1 259 . 1 . 1 60 60 LEU CB C 13 41.444 . . . . . . . . 253 L CB . 50204 1 260 . 1 . 1 60 60 LEU N N 15 123.993 . . . . . . . . 253 L N . 50204 1 261 . 1 . 1 61 61 PRO C C 13 176.731 . . . . . . . . 254 P CO . 50204 1 262 . 1 . 1 61 61 PRO CA C 13 63.119 . . . . . . . . 254 P CA . 50204 1 263 . 1 . 1 61 61 PRO CB C 13 31.897 . . . . . . . . 254 P CB . 50204 1 264 . 1 . 1 62 62 SER H H 1 8.277 . . . . . . . . 255 S HN . 50204 1 265 . 1 . 1 62 62 SER C C 13 173.660 . . . . . . . . 255 S CO . 50204 1 266 . 1 . 1 62 62 SER CA C 13 58.032 . . . . . . . . 255 S CA . 50204 1 267 . 1 . 1 62 62 SER CB C 13 63.747 . . . . . . . . 255 S CB . 50204 1 268 . 1 . 1 62 62 SER N N 15 115.759 . . . . . . . . 255 S N . 50204 1 269 . 1 . 1 63 63 ALA H H 1 8.196 . . . . . . . . 256 A HN . 50204 1 270 . 1 . 1 63 63 ALA C C 13 175.186 . . . . . . . . 256 A CO . 50204 1 271 . 1 . 1 63 63 ALA CA C 13 50.432 . . . . . . . . 256 A CA . 50204 1 272 . 1 . 1 63 63 ALA CB C 13 18.199 . . . . . . . . 256 A CB . 50204 1 273 . 1 . 1 63 63 ALA N N 15 126.933 . . . . . . . . 256 A N . 50204 1 274 . 1 . 1 64 64 PRO C C 13 176.458 . . . . . . . . 257 P CO . 50204 1 275 . 1 . 1 64 64 PRO CA C 13 62.838 . . . . . . . . 257 P CA . 50204 1 276 . 1 . 1 64 64 PRO CB C 13 31.954 . . . . . . . . 257 P CB . 50204 1 277 . 1 . 1 65 65 VAL H H 1 8.286 . . . . . . . . 258 V HN . 50204 1 278 . 1 . 1 65 65 VAL C C 13 175.976 . . . . . . . . 258 V CO . 50204 1 279 . 1 . 1 65 65 VAL CA C 13 62.082 . . . . . . . . 258 V CA . 50204 1 280 . 1 . 1 65 65 VAL CB C 13 32.608 . . . . . . . . 258 V CB . 50204 1 281 . 1 . 1 65 65 VAL N N 15 121.356 . . . . . . . . 258 V N . 50204 1 282 . 1 . 1 66 66 LEU H H 1 8.372 . . . . . . . . 259 L HN . 50204 1 283 . 1 . 1 66 66 LEU C C 13 175.034 . . . . . . . . 259 L CO . 50204 1 284 . 1 . 1 66 66 LEU CA C 13 52.708 . . . . . . . . 259 L CA . 50204 1 285 . 1 . 1 66 66 LEU CB C 13 41.435 . . . . . . . . 259 L CB . 50204 1 286 . 1 . 1 66 66 LEU N N 15 128.212 . . . . . . . . 259 L N . 50204 1 287 . 1 . 1 67 67 PRO C C 13 176.730 . . . . . . . . 260 P CO . 50204 1 288 . 1 . 1 67 67 PRO CA C 13 62.988 . . . . . . . . 260 P CA . 50204 1 289 . 1 . 1 67 67 PRO CB C 13 31.919 . . . . . . . . 260 P CB . 50204 1 290 . 1 . 1 68 68 GLU H H 1 8.530 . . . . . . . . 261 E HN . 50204 1 291 . 1 . 1 68 68 GLU C C 13 176.532 . . . . . . . . 261 E CO . 50204 1 292 . 1 . 1 68 68 GLU CA C 13 56.429 . . . . . . . . 261 E CA . 50204 1 293 . 1 . 1 68 68 GLU CB C 13 30.024 . . . . . . . . 261 E CB . 50204 1 294 . 1 . 1 68 68 GLU N N 15 120.806 . . . . . . . . 261 E N . 50204 1 295 . 1 . 1 69 69 LEU H H 1 8.336 . . . . . . . . 262 L HN . 50204 1 296 . 1 . 1 69 69 LEU C C 13 177.387 . . . . . . . . 262 L CO . 50204 1 297 . 1 . 1 69 69 LEU CA C 13 55.173 . . . . . . . . 262 L CA . 50204 1 298 . 1 . 1 69 69 LEU CB C 13 42.042 . . . . . . . . 262 L CB . 50204 1 299 . 1 . 1 69 69 LEU N N 15 123.570 . . . . . . . . 262 L N . 50204 1 300 . 1 . 1 70 70 THR H H 1 8.028 . . . . . . . . 263 T HN . 50204 1 301 . 1 . 1 70 70 THR C C 13 173.860 . . . . . . . . 263 T CO . 50204 1 302 . 1 . 1 70 70 THR CA C 13 61.788 . . . . . . . . 263 T CA . 50204 1 303 . 1 . 1 70 70 THR CB C 13 69.707 . . . . . . . . 263 T CB . 50204 1 304 . 1 . 1 70 70 THR N N 15 114.897 . . . . . . . . 263 T N . 50204 1 305 . 1 . 1 71 71 ALA H H 1 8.224 . . . . . . . . 264 A HN . 50204 1 306 . 1 . 1 71 71 ALA C C 13 177.160 . . . . . . . . 264 A CO . 50204 1 307 . 1 . 1 71 71 ALA CA C 13 52.106 . . . . . . . . 264 A CA . 50204 1 308 . 1 . 1 71 71 ALA CB C 13 19.182 . . . . . . . . 264 A CB . 50204 1 309 . 1 . 1 71 71 ALA N N 15 126.731 . . . . . . . . 264 A N . 50204 1 310 . 1 . 1 72 72 ILE H H 1 8.140 . . . . . . . . 265 I HN . 50204 1 311 . 1 . 1 72 72 ILE C C 13 174.518 . . . . . . . . 265 I CO . 50204 1 312 . 1 . 1 72 72 ILE CA C 13 58.669 . . . . . . . . 265 I CA . 50204 1 313 . 1 . 1 72 72 ILE CB C 13 38.500 . . . . . . . . 265 I CB . 50204 1 314 . 1 . 1 72 72 ILE N N 15 122.479 . . . . . . . . 265 I N . 50204 1 315 . 1 . 1 73 73 PRO C C 13 176.777 . . . . . . . . 266 P CO . 50204 1 316 . 1 . 1 73 73 PRO CA C 13 62.927 . . . . . . . . 266 P CA . 50204 1 317 . 1 . 1 73 73 PRO CB C 13 32.077 . . . . . . . . 266 P CB . 50204 1 318 . 1 . 1 74 74 LEU H H 1 8.401 . . . . . . . . 267 L HN . 50204 1 319 . 1 . 1 74 74 LEU C C 13 177.792 . . . . . . . . 267 L CO . 50204 1 320 . 1 . 1 74 74 LEU CA C 13 55.570 . . . . . . . . 267 L CA . 50204 1 321 . 1 . 1 74 74 LEU CB C 13 42.019 . . . . . . . . 267 L CB . 50204 1 322 . 1 . 1 74 74 LEU N N 15 122.591 . . . . . . . . 267 L N . 50204 1 323 . 1 . 1 75 75 THR H H 1 7.912 . . . . . . . . 268 T HN . 50204 1 324 . 1 . 1 75 75 THR C C 13 174.081 . . . . . . . . 268 T CO . 50204 1 325 . 1 . 1 75 75 THR CA C 13 61.694 . . . . . . . . 268 T CA . 50204 1 326 . 1 . 1 75 75 THR CB C 13 69.707 . . . . . . . . 268 T CB . 50204 1 327 . 1 . 1 75 75 THR N N 15 113.468 . . . . . . . . 268 T N . 50204 1 328 . 1 . 1 76 76 ALA H H 1 8.154 . . . . . . . . 269 A HN . 50204 1 329 . 1 . 1 76 76 ALA C C 13 176.955 . . . . . . . . 269 A CO . 50204 1 330 . 1 . 1 76 76 ALA CA C 13 52.348 . . . . . . . . 269 A CA . 50204 1 331 . 1 . 1 76 76 ALA CB C 13 19.192 . . . . . . . . 269 A CB . 50204 1 332 . 1 . 1 76 76 ALA N N 15 125.635 . . . . . . . . 269 A N . 50204 1 333 . 1 . 1 77 77 TYR H H 1 7.999 . . . . . . . . 270 Y HN . 50204 1 334 . 1 . 1 77 77 TYR C C 13 176.040 . . . . . . . . 270 Y CO . 50204 1 335 . 1 . 1 77 77 TYR CA C 13 57.803 . . . . . . . . 270 Y CA . 50204 1 336 . 1 . 1 77 77 TYR CB C 13 38.996 . . . . . . . . 270 Y CB . 50204 1 337 . 1 . 1 77 77 TYR N N 15 118.801 . . . . . . . . 270 Y N . 50204 1 338 . 1 . 1 78 78 GLY H H 1 8.155 . . . . . . . . 271 G HN . 50204 1 339 . 1 . 1 78 78 GLY C C 13 172.363 . . . . . . . . 271 G CO . 50204 1 340 . 1 . 1 78 78 GLY CA C 13 45.018 . . . . . . . . 271 G CA . 50204 1 341 . 1 . 1 78 78 GLY N N 15 110.154 . . . . . . . . 271 G N . 50204 1 342 . 1 . 1 79 79 PRO C C 13 178.068 . . . . . . . . 272 P CO . 50204 1 343 . 1 . 1 79 79 PRO CA C 13 63.967 . . . . . . . . 272 P CA . 50204 1 344 . 1 . 1 79 79 PRO CB C 13 31.912 . . . . . . . . 272 P CB . 50204 1 345 . 1 . 1 80 80 MET H H 1 8.354 . . . . . . . . 273 M HN . 50204 1 346 . 1 . 1 80 80 MET C C 13 177.006 . . . . . . . . 273 M CO . 50204 1 347 . 1 . 1 80 80 MET CA C 13 56.370 . . . . . . . . 273 M CA . 50204 1 348 . 1 . 1 80 80 MET CB C 13 32.202 . . . . . . . . 273 M CB . 50204 1 349 . 1 . 1 80 80 MET N N 15 119.278 . . . . . . . . 273 M N . 50204 1 350 . 1 . 1 81 81 ALA H H 1 8.107 . . . . . . . . 274 A HN . 50204 1 351 . 1 . 1 81 81 ALA C C 13 178.697 . . . . . . . . 274 A CO . 50204 1 352 . 1 . 1 81 81 ALA CA C 13 53.373 . . . . . . . . 274 A CA . 50204 1 353 . 1 . 1 81 81 ALA CB C 13 18.552 . . . . . . . . 274 A CB . 50204 1 354 . 1 . 1 81 81 ALA N N 15 124.858 . . . . . . . . 274 A N . 50204 1 355 . 1 . 1 82 82 ALA H H 1 8.222 . . . . . . . . 275 A HN . 50204 1 356 . 1 . 1 82 82 ALA C C 13 178.961 . . . . . . . . 275 A CO . 50204 1 357 . 1 . 1 82 82 ALA CA C 13 53.537 . . . . . . . . 275 A CA . 50204 1 358 . 1 . 1 82 82 ALA CB C 13 18.455 . . . . . . . . 275 A CB . 50204 1 359 . 1 . 1 82 82 ALA N N 15 122.700 . . . . . . . . 275 A N . 50204 1 360 . 1 . 1 83 83 ALA H H 1 8.114 . . . . . . . . 276 A HN . 50204 1 361 . 1 . 1 83 83 ALA C C 13 178.963 . . . . . . . . 276 A CO . 50204 1 362 . 1 . 1 83 83 ALA CA C 13 53.474 . . . . . . . . 276 A CA . 50204 1 363 . 1 . 1 83 83 ALA CB C 13 18.382 . . . . . . . . 276 A CB . 50204 1 364 . 1 . 1 83 83 ALA N N 15 122.463 . . . . . . . . 276 A N . 50204 1 365 . 1 . 1 84 84 ALA H H 1 8.015 . . . . . . . . 277 A HN . 50204 1 366 . 1 . 1 84 84 ALA C C 13 178.887 . . . . . . . . 277 A CO . 50204 1 367 . 1 . 1 84 84 ALA CA C 13 53.401 . . . . . . . . 277 A CA . 50204 1 368 . 1 . 1 84 84 ALA CB C 13 18.442 . . . . . . . . 277 A CB . 50204 1 369 . 1 . 1 84 84 ALA N N 15 122.543 . . . . . . . . 277 A N . 50204 1 370 . 1 . 1 85 85 ALA H H 1 8.050 . . . . . . . . 278 A HN . 50204 1 371 . 1 . 1 85 85 ALA C C 13 178.725 . . . . . . . . 278 A CO . 50204 1 372 . 1 . 1 85 85 ALA CA C 13 53.383 . . . . . . . . 278 A CA . 50204 1 373 . 1 . 1 85 85 ALA CB C 13 18.419 . . . . . . . . 278 A CB . 50204 1 374 . 1 . 1 85 85 ALA N N 15 122.360 . . . . . . . . 278 A N . 50204 1 375 . 1 . 1 86 86 ALA H H 1 7.971 . . . . . . . . 279 A HN . 50204 1 376 . 1 . 1 86 86 ALA C C 13 178.510 . . . . . . . . 279 A CO . 50204 1 377 . 1 . 1 86 86 ALA CA C 13 53.244 . . . . . . . . 279 A CA . 50204 1 378 . 1 . 1 86 86 ALA CB C 13 18.469 . . . . . . . . 279 A CB . 50204 1 379 . 1 . 1 86 86 ALA N N 15 121.844 . . . . . . . . 279 A N . 50204 1 380 . 1 . 1 87 87 ALA H H 1 7.921 . . . . . . . . 280 A HN . 50204 1 381 . 1 . 1 87 87 ALA C C 13 178.038 . . . . . . . . 280 A CO . 50204 1 382 . 1 . 1 87 87 ALA CA C 13 52.904 . . . . . . . . 280 A CA . 50204 1 383 . 1 . 1 87 87 ALA CB C 13 18.647 . . . . . . . . 280 A CB . 50204 1 384 . 1 . 1 87 87 ALA N N 15 121.585 . . . . . . . . 280 A N . 50204 1 385 . 1 . 1 88 88 ALA H H 1 7.881 . . . . . . . . 281 A HN . 50204 1 386 . 1 . 1 88 88 ALA C C 13 178.213 . . . . . . . . 281 A CO . 50204 1 387 . 1 . 1 88 88 ALA CA C 13 52.874 . . . . . . . . 281 A CA . 50204 1 388 . 1 . 1 88 88 ALA CB C 13 18.723 . . . . . . . . 281 A CB . 50204 1 389 . 1 . 1 88 88 ALA N N 15 121.877 . . . . . . . . 281 A N . 50204 1 390 . 1 . 1 89 89 VAL H H 1 7.798 . . . . . . . . 282 V HN . 50204 1 391 . 1 . 1 89 89 VAL C C 13 176.652 . . . . . . . . 282 V CO . 50204 1 392 . 1 . 1 89 89 VAL CA C 13 63.120 . . . . . . . . 282 V CA . 50204 1 393 . 1 . 1 89 89 VAL CB C 13 32.328 . . . . . . . . 282 V CB . 50204 1 394 . 1 . 1 89 89 VAL N N 15 119.202 . . . . . . . . 282 V N . 50204 1 395 . 1 . 1 90 90 VAL H H 1 8.034 . . . . . . . . 283 V HN . 50204 1 396 . 1 . 1 90 90 VAL C C 13 176.376 . . . . . . . . 283 V CO . 50204 1 397 . 1 . 1 90 90 VAL CA C 13 62.902 . . . . . . . . 283 V CA . 50204 1 398 . 1 . 1 90 90 VAL CB C 13 32.287 . . . . . . . . 283 V CB . 50204 1 399 . 1 . 1 90 90 VAL N N 15 123.871 . . . . . . . . 283 V N . 50204 1 400 . 1 . 1 91 91 ARG H H 1 8.336 . . . . . . . . 284 R HN . 50204 1 401 . 1 . 1 91 91 ARG C C 13 176.786 . . . . . . . . 284 R CO . 50204 1 402 . 1 . 1 91 91 ARG CA C 13 56.380 . . . . . . . . 284 R CA . 50204 1 403 . 1 . 1 91 91 ARG CB C 13 30.725 . . . . . . . . 284 R CB . 50204 1 404 . 1 . 1 91 91 ARG N N 15 124.522 . . . . . . . . 284 R N . 50204 1 405 . 1 . 1 92 92 GLY H H 1 8.289 . . . . . . . . 285 G HN . 50204 1 406 . 1 . 1 92 92 GLY C C 13 174.357 . . . . . . . . 285 G CO . 50204 1 407 . 1 . 1 92 92 GLY CA C 13 45.162 . . . . . . . . 285 G CA . 50204 1 408 . 1 . 1 92 92 GLY N N 15 109.550 . . . . . . . . 285 G N . 50204 1 409 . 1 . 1 93 93 THR H H 1 8.139 . . . . . . . . 286 T HN . 50204 1 410 . 1 . 1 93 93 THR C C 13 175.267 . . . . . . . . 286 T CO . 50204 1 411 . 1 . 1 93 93 THR CA C 13 61.911 . . . . . . . . 286 T CA . 50204 1 412 . 1 . 1 93 93 THR CB C 13 69.797 . . . . . . . . 286 T CB . 50204 1 413 . 1 . 1 93 93 THR N N 15 113.055 . . . . . . . . 286 T N . 50204 1 414 . 1 . 1 94 94 GLY H H 1 8.473 . . . . . . . . 287 G HN . 50204 1 415 . 1 . 1 94 94 GLY C C 13 173.942 . . . . . . . . 287 G CO . 50204 1 416 . 1 . 1 94 94 GLY CA C 13 45.175 . . . . . . . . 287 G CA . 50204 1 417 . 1 . 1 94 94 GLY N N 15 110.983 . . . . . . . . 287 G N . 50204 1 418 . 1 . 1 95 95 SER H H 1 8.124 . . . . . . . . 288 S HN . 50204 1 419 . 1 . 1 95 95 SER C C 13 173.831 . . . . . . . . 288 S CO . 50204 1 420 . 1 . 1 95 95 SER CA C 13 58.145 . . . . . . . . 288 S CA . 50204 1 421 . 1 . 1 95 95 SER CB C 13 63.687 . . . . . . . . 288 S CB . 50204 1 422 . 1 . 1 95 95 SER N N 15 115.145 . . . . . . . . 288 S N . 50204 1 423 . 1 . 1 96 96 HIS H H 1 8.339 . . . . . . . . 289 H HN . 50204 1 424 . 1 . 1 96 96 HIS C C 13 172.430 . . . . . . . . 289 H CO . 50204 1 425 . 1 . 1 96 96 HIS CA C 13 53.103 . . . . . . . . 289 H CA . 50204 1 426 . 1 . 1 96 96 HIS CB C 13 28.591 . . . . . . . . 289 H CB . 50204 1 427 . 1 . 1 96 96 HIS N N 15 120.143 . . . . . . . . 289 H N . 50204 1 428 . 1 . 1 97 97 PRO C C 13 176.508 . . . . . . . . 290 P CO . 50204 1 429 . 1 . 1 97 97 PRO CA C 13 63.457 . . . . . . . . 290 P CA . 50204 1 430 . 1 . 1 97 97 PRO CB C 13 31.825 . . . . . . . . 290 P CB . 50204 1 431 . 1 . 1 98 98 TRP H H 1 8.065 . . . . . . . . 291 W HN . 50204 1 432 . 1 . 1 98 98 TRP C C 13 176.153 . . . . . . . . 291 W CO . 50204 1 433 . 1 . 1 98 98 TRP CA C 13 57.379 . . . . . . . . 291 W CA . 50204 1 434 . 1 . 1 98 98 TRP CB C 13 29.152 . . . . . . . . 291 W CB . 50204 1 435 . 1 . 1 98 98 TRP N N 15 120.363 . . . . . . . . 291 W N . 50204 1 436 . 1 . 1 99 99 THR H H 1 7.816 . . . . . . . . 292 T HN . 50204 1 437 . 1 . 1 99 99 THR C C 13 173.565 . . . . . . . . 292 T CO . 50204 1 438 . 1 . 1 99 99 THR CA C 13 61.536 . . . . . . . . 292 T CA . 50204 1 439 . 1 . 1 99 99 THR CB C 13 69.916 . . . . . . . . 292 T CB . 50204 1 440 . 1 . 1 99 99 THR N N 15 116.164 . . . . . . . . 292 T N . 50204 1 441 . 1 . 1 100 100 MET H H 1 8.052 . . . . . . . . 293 M HN . 50204 1 442 . 1 . 1 100 100 MET C C 13 175.162 . . . . . . . . 293 M CO . 50204 1 443 . 1 . 1 100 100 MET CA C 13 55.077 . . . . . . . . 293 M CA . 50204 1 444 . 1 . 1 100 100 MET CB C 13 32.947 . . . . . . . . 293 M CB . 50204 1 445 . 1 . 1 100 100 MET N N 15 122.479 . . . . . . . . 293 M N . 50204 1 446 . 1 . 1 101 101 ALA H H 1 8.262 . . . . . . . . 294 A HN . 50204 1 447 . 1 . 1 101 101 ALA C C 13 174.694 . . . . . . . . 294 A CO . 50204 1 448 . 1 . 1 101 101 ALA CA C 13 50.331 . . . . . . . . 294 A CA . 50204 1 449 . 1 . 1 101 101 ALA CB C 13 17.906 . . . . . . . . 294 A CB . 50204 1 450 . 1 . 1 101 101 ALA N N 15 127.062 . . . . . . . . 294 A N . 50204 1 451 . 1 . 1 104 104 PRO C C 13 177.549 . . . . . . . . 297 P CO . 50204 1 452 . 1 . 1 104 104 PRO CA C 13 63.344 . . . . . . . . 297 P CA . 50204 1 453 . 1 . 1 104 104 PRO CB C 13 31.832 . . . . . . . . 297 P CB . 50204 1 454 . 1 . 1 105 105 GLY H H 1 8.557 . . . . . . . . 298 G HN . 50204 1 455 . 1 . 1 105 105 GLY C C 13 174.181 . . . . . . . . 298 G CO . 50204 1 456 . 1 . 1 105 105 GLY CA C 13 45.123 . . . . . . . . 298 G CA . 50204 1 457 . 1 . 1 105 105 GLY N N 15 109.892 . . . . . . . . 298 G N . 50204 1 458 . 1 . 1 106 106 SER H H 1 8.063 . . . . . . . . 299 S HN . 50204 1 459 . 1 . 1 106 106 SER C C 13 174.183 . . . . . . . . 299 S CO . 50204 1 460 . 1 . 1 106 106 SER CA C 13 58.371 . . . . . . . . 299 S CA . 50204 1 461 . 1 . 1 106 106 SER CB C 13 63.988 . . . . . . . . 299 S CB . 50204 1 462 . 1 . 1 106 106 SER N N 15 115.337 . . . . . . . . 299 S N . 50204 1 463 . 1 . 1 107 107 THR H H 1 8.272 . . . . . . . . 300 T HN . 50204 1 464 . 1 . 1 107 107 THR C C 13 172.715 . . . . . . . . 300 T CO . 50204 1 465 . 1 . 1 107 107 THR CA C 13 59.827 . . . . . . . . 300 T CA . 50204 1 466 . 1 . 1 107 107 THR CB C 13 69.718 . . . . . . . . 300 T CB . 50204 1 467 . 1 . 1 107 107 THR N N 15 118.193 . . . . . . . . 300 T N . 50204 1 468 . 1 . 1 108 108 PRO C C 13 176.811 . . . . . . . . 301 P CO . 50204 1 469 . 1 . 1 108 108 PRO CA C 13 63.248 . . . . . . . . 301 P CA . 50204 1 470 . 1 . 1 108 108 PRO CB C 13 32.049 . . . . . . . . 301 P CB . 50204 1 471 . 1 . 1 109 109 SER H H 1 8.419 . . . . . . . . 302 S HN . 50204 1 472 . 1 . 1 109 109 SER C C 13 174.745 . . . . . . . . 302 S CO . 50204 1 473 . 1 . 1 109 109 SER CA C 13 58.229 . . . . . . . . 302 S CA . 50204 1 474 . 1 . 1 109 109 SER CB C 13 63.715 . . . . . . . . 302 S CB . 50204 1 475 . 1 . 1 109 109 SER N N 15 116.295 . . . . . . . . 302 S N . 50204 1 476 . 1 . 1 110 110 ARG H H 1 8.492 . . . . . . . . 303 R HN . 50204 1 477 . 1 . 1 110 110 ARG C C 13 176.478 . . . . . . . . 303 R CO . 50204 1 478 . 1 . 1 110 110 ARG CA C 13 56.137 . . . . . . . . 303 R CA . 50204 1 479 . 1 . 1 110 110 ARG CB C 13 30.696 . . . . . . . . 303 R CB . 50204 1 480 . 1 . 1 110 110 ARG N N 15 123.419 . . . . . . . . 303 R N . 50204 1 481 . 1 . 1 111 111 THR H H 1 8.177 . . . . . . . . 304 T HN . 50204 1 482 . 1 . 1 111 111 THR C C 13 175.013 . . . . . . . . 304 T CO . 50204 1 483 . 1 . 1 111 111 THR CA C 13 61.802 . . . . . . . . 304 T CA . 50204 1 484 . 1 . 1 111 111 THR CB C 13 69.675 . . . . . . . . 304 T CB . 50204 1 485 . 1 . 1 111 111 THR N N 15 114.431 . . . . . . . . 304 T N . 50204 1 486 . 1 . 1 112 112 GLY H H 1 8.370 . . . . . . . . 305 G HN . 50204 1 487 . 1 . 1 112 112 GLY C C 13 174.355 . . . . . . . . 305 G CO . 50204 1 488 . 1 . 1 112 112 GLY CA C 13 45.262 . . . . . . . . 305 G CA . 50204 1 489 . 1 . 1 112 112 GLY N N 15 111.130 . . . . . . . . 305 G N . 50204 1 490 . 1 . 1 113 113 GLY H H 1 8.195 . . . . . . . . 306 G HN . 50204 1 491 . 1 . 1 113 113 GLY C C 13 173.692 . . . . . . . . 306 G CO . 50204 1 492 . 1 . 1 113 113 GLY CA C 13 44.910 . . . . . . . . 306 G CA . 50204 1 493 . 1 . 1 113 113 GLY N N 15 108.475 . . . . . . . . 306 G N . 50204 1 494 . 1 . 1 114 114 PHE H H 1 8.159 . . . . . . . . 307 F HN . 50204 1 495 . 1 . 1 114 114 PHE C C 13 175.828 . . . . . . . . 307 F CO . 50204 1 496 . 1 . 1 114 114 PHE CA C 13 57.823 . . . . . . . . 307 F CA . 50204 1 497 . 1 . 1 114 114 PHE CB C 13 39.492 . . . . . . . . 307 F CB . 50204 1 498 . 1 . 1 114 114 PHE N N 15 120.161 . . . . . . . . 307 F N . 50204 1 499 . 1 . 1 115 115 LEU H H 1 8.304 . . . . . . . . 308 L HN . 50204 1 500 . 1 . 1 115 115 LEU C C 13 177.368 . . . . . . . . 308 L CO . 50204 1 501 . 1 . 1 115 115 LEU CA C 13 55.006 . . . . . . . . 308 L CA . 50204 1 502 . 1 . 1 115 115 LEU CB C 13 42.236 . . . . . . . . 308 L CB . 50204 1 503 . 1 . 1 115 115 LEU N N 15 124.532 . . . . . . . . 308 L N . 50204 1 504 . 1 . 1 116 116 GLY H H 1 7.834 . . . . . . . . 309 G HN . 50204 1 505 . 1 . 1 116 116 GLY C C 13 174.007 . . . . . . . . 309 G CO . 50204 1 506 . 1 . 1 116 116 GLY CA C 13 45.214 . . . . . . . . 309 G CA . 50204 1 507 . 1 . 1 116 116 GLY N N 15 109.020 . . . . . . . . 309 G N . 50204 1 508 . 1 . 1 117 117 THR H H 1 8.049 . . . . . . . . 310 T HN . 50204 1 509 . 1 . 1 117 117 THR C C 13 174.687 . . . . . . . . 310 T CO . 50204 1 510 . 1 . 1 117 117 THR CA C 13 61.595 . . . . . . . . 310 T CA . 50204 1 511 . 1 . 1 117 117 THR CB C 13 69.848 . . . . . . . . 310 T CB . 50204 1 512 . 1 . 1 117 117 THR N N 15 113.250 . . . . . . . . 310 T N . 50204 1 513 . 1 . 1 118 118 THR H H 1 8.209 . . . . . . . . 311 T HN . 50204 1 514 . 1 . 1 118 118 THR C C 13 174.168 . . . . . . . . 311 T CO . 50204 1 515 . 1 . 1 118 118 THR CA C 13 61.650 . . . . . . . . 311 T CA . 50204 1 516 . 1 . 1 118 118 THR CB C 13 69.818 . . . . . . . . 311 T CB . 50204 1 517 . 1 . 1 118 118 THR N N 15 116.196 . . . . . . . . 311 T N . 50204 1 518 . 1 . 1 119 119 SER H H 1 8.360 . . . . . . . . 312 S HN . 50204 1 519 . 1 . 1 119 119 SER C C 13 172.574 . . . . . . . . 312 S CO . 50204 1 520 . 1 . 1 119 119 SER CA C 13 56.299 . . . . . . . . 312 S CA . 50204 1 521 . 1 . 1 119 119 SER CB C 13 63.302 . . . . . . . . 312 S CB . 50204 1 522 . 1 . 1 119 119 SER N N 15 119.742 . . . . . . . . 312 S N . 50204 1 523 . 1 . 1 120 120 PRO C C 13 176.956 . . . . . . . . 313 P CO . 50204 1 524 . 1 . 1 120 120 PRO CA C 13 63.349 . . . . . . . . 313 P CA . 50204 1 525 . 1 . 1 120 120 PRO CB C 13 32.097 . . . . . . . . 313 P CB . 50204 1 526 . 1 . 1 121 121 GLY H H 1 8.196 . . . . . . . . 314 G HN . 50204 1 527 . 1 . 1 121 121 GLY C C 13 171.716 . . . . . . . . 314 G CO . 50204 1 528 . 1 . 1 121 121 GLY CA C 13 44.454 . . . . . . . . 314 G CA . 50204 1 529 . 1 . 1 121 121 GLY N N 15 109.122 . . . . . . . . 314 G N . 50204 1 530 . 1 . 1 122 122 PRO C C 13 177.362 . . . . . . . . 315 P CO . 50204 1 531 . 1 . 1 122 122 PRO CA C 13 63.309 . . . . . . . . 315 P CA . 50204 1 532 . 1 . 1 122 122 PRO CB C 13 31.950 . . . . . . . . 315 P CB . 50204 1 533 . 1 . 1 123 123 MET H H 1 8.451 . . . . . . . . 316 M HN . 50204 1 534 . 1 . 1 123 123 MET C C 13 176.152 . . . . . . . . 316 M CO . 50204 1 535 . 1 . 1 123 123 MET CA C 13 55.527 . . . . . . . . 316 M CA . 50204 1 536 . 1 . 1 123 123 MET CB C 13 32.455 . . . . . . . . 316 M CB . 50204 1 537 . 1 . 1 123 123 MET N N 15 120.063 . . . . . . . . 316 M N . 50204 1 538 . 1 . 1 124 124 ALA H H 1 8.160 . . . . . . . . 317 A HN . 50204 1 539 . 1 . 1 124 124 ALA C C 13 177.875 . . . . . . . . 317 A CO . 50204 1 540 . 1 . 1 124 124 ALA CA C 13 52.879 . . . . . . . . 317 A CA . 50204 1 541 . 1 . 1 124 124 ALA CB C 13 19.105 . . . . . . . . 317 A CB . 50204 1 542 . 1 . 1 124 124 ALA N N 15 124.642 . . . . . . . . 317 A N . 50204 1 543 . 1 . 1 125 125 GLU H H 1 8.302 . . . . . . . . 318 E HN . 50204 1 544 . 1 . 1 125 125 GLU C C 13 176.381 . . . . . . . . 318 E CO . 50204 1 545 . 1 . 1 125 125 GLU CA C 13 56.579 . . . . . . . . 318 E CA . 50204 1 546 . 1 . 1 125 125 GLU CB C 13 29.888 . . . . . . . . 318 E CB . 50204 1 547 . 1 . 1 125 125 GLU N N 15 119.496 . . . . . . . . 318 E N . 50204 1 548 . 1 . 1 126 126 LEU C C 13 177.148 . . . . . . . . 319 L CO . 50204 1 549 . 1 . 1 126 126 LEU CA C 13 55.254 . . . . . . . . 319 L CA . 50204 1 550 . 1 . 1 126 126 LEU CB C 13 42.245 . . . . . . . . 319 L CB . 50204 1 551 . 1 . 1 127 127 TYR H H 1 8.116 . . . . . . . . 320 Y HN . 50204 1 552 . 1 . 1 127 127 TYR C C 13 176.398 . . . . . . . . 320 Y CO . 50204 1 553 . 1 . 1 127 127 TYR CA C 13 57.902 . . . . . . . . 320 Y CA . 50204 1 554 . 1 . 1 127 127 TYR CB C 13 38.472 . . . . . . . . 320 Y CB . 50204 1 555 . 1 . 1 127 127 TYR N N 15 119.965 . . . . . . . . 320 Y N . 50204 1 556 . 1 . 1 128 128 GLY H H 1 8.198 . . . . . . . . 321 G HN . 50204 1 557 . 1 . 1 128 128 GLY C C 13 173.763 . . . . . . . . 321 G CO . 50204 1 558 . 1 . 1 128 128 GLY CA C 13 45.198 . . . . . . . . 321 G CA . 50204 1 559 . 1 . 1 128 128 GLY N N 15 110.309 . . . . . . . . 321 G N . 50204 1 560 . 1 . 1 129 129 ALA H H 1 8.054 . . . . . . . . 322 A HN . 50204 1 561 . 1 . 1 129 129 ALA C C 13 177.591 . . . . . . . . 322 A CO . 50204 1 562 . 1 . 1 129 129 ALA CA C 13 52.469 . . . . . . . . 322 A CA . 50204 1 563 . 1 . 1 129 129 ALA CB C 13 19.234 . . . . . . . . 322 A CB . 50204 1 564 . 1 . 1 129 129 ALA N N 15 123.642 . . . . . . . . 322 A N . 50204 1 565 . 1 . 1 130 130 ALA H H 1 8.266 . . . . . . . . 323 A HN . 50204 1 566 . 1 . 1 130 130 ALA C C 13 177.533 . . . . . . . . 323 A CO . 50204 1 567 . 1 . 1 130 130 ALA CA C 13 52.509 . . . . . . . . 323 A CA . 50204 1 568 . 1 . 1 130 130 ALA CB C 13 18.984 . . . . . . . . 323 A CB . 50204 1 569 . 1 . 1 130 130 ALA N N 15 122.508 . . . . . . . . 323 A N . 50204 1 570 . 1 . 1 131 131 ASN H H 1 8.286 . . . . . . . . 324 N HN . 50204 1 571 . 1 . 1 131 131 ASN C C 13 175.242 . . . . . . . . 324 N CO . 50204 1 572 . 1 . 1 131 131 ASN CA C 13 53.243 . . . . . . . . 324 N CA . 50204 1 573 . 1 . 1 131 131 ASN CB C 13 38.671 . . . . . . . . 324 N CB . 50204 1 574 . 1 . 1 131 131 ASN N N 15 117.368 . . . . . . . . 324 N N . 50204 1 575 . 1 . 1 132 132 GLN H H 1 8.327 . . . . . . . . 325 Q HN . 50204 1 576 . 1 . 1 132 132 GLN C C 13 175.667 . . . . . . . . 325 Q CO . 50204 1 577 . 1 . 1 132 132 GLN CA C 13 55.951 . . . . . . . . 325 Q CA . 50204 1 578 . 1 . 1 132 132 GLN CB C 13 29.294 . . . . . . . . 325 Q CB . 50204 1 579 . 1 . 1 132 132 GLN N N 15 120.497 . . . . . . . . 325 Q N . 50204 1 580 . 1 . 1 133 133 ASP H H 1 8.377 . . . . . . . . 326 D HN . 50204 1 581 . 1 . 1 133 133 ASP C C 13 176.365 . . . . . . . . 326 D CO . 50204 1 582 . 1 . 1 133 133 ASP CA C 13 54.354 . . . . . . . . 326 D CA . 50204 1 583 . 1 . 1 133 133 ASP CB C 13 41.076 . . . . . . . . 326 D CB . 50204 1 584 . 1 . 1 133 133 ASP N N 15 121.438 . . . . . . . . 326 D N . 50204 1 585 . 1 . 1 134 134 SER H H 1 8.307 . . . . . . . . 327 S HN . 50204 1 586 . 1 . 1 134 134 SER C C 13 175.147 . . . . . . . . 327 S CO . 50204 1 587 . 1 . 1 134 134 SER CA C 13 58.771 . . . . . . . . 327 S CA . 50204 1 588 . 1 . 1 134 134 SER CB C 13 63.684 . . . . . . . . 327 S CB . 50204 1 589 . 1 . 1 134 134 SER N N 15 116.771 . . . . . . . . 327 S N . 50204 1 590 . 1 . 1 135 135 GLY H H 1 8.455 . . . . . . . . 328 G HN . 50204 1 591 . 1 . 1 135 135 GLY C C 13 174.173 . . . . . . . . 328 G CO . 50204 1 592 . 1 . 1 135 135 GLY CA C 13 45.320 . . . . . . . . 328 G CA . 50204 1 593 . 1 . 1 135 135 GLY N N 15 110.761 . . . . . . . . 328 G N . 50204 1 594 . 1 . 1 136 136 VAL H H 1 7.894 . . . . . . . . 329 V HN . 50204 1 595 . 1 . 1 136 136 VAL C C 13 176.374 . . . . . . . . 329 V CO . 50204 1 596 . 1 . 1 136 136 VAL CA C 13 62.319 . . . . . . . . 329 V CA . 50204 1 597 . 1 . 1 136 136 VAL CB C 13 32.570 . . . . . . . . 329 V CB . 50204 1 598 . 1 . 1 136 136 VAL N N 15 119.095 . . . . . . . . 329 V N . 50204 1 599 . 1 . 1 137 137 SER H H 1 8.414 . . . . . . . . 330 S HN . 50204 1 600 . 1 . 1 137 137 SER C C 13 174.534 . . . . . . . . 330 S CO . 50204 1 601 . 1 . 1 137 137 SER CA C 13 58.393 . . . . . . . . 330 S CA . 50204 1 602 . 1 . 1 137 137 SER CB C 13 63.703 . . . . . . . . 330 S CB . 50204 1 603 . 1 . 1 137 137 SER N N 15 119.359 . . . . . . . . 330 S N . 50204 1 604 . 1 . 1 138 138 SER H H 1 8.250 . . . . . . . . 331 S HN . 50204 1 605 . 1 . 1 138 138 SER C C 13 173.913 . . . . . . . . 331 S CO . 50204 1 606 . 1 . 1 138 138 SER CA C 13 58.389 . . . . . . . . 331 S CA . 50204 1 607 . 1 . 1 138 138 SER CB C 13 63.703 . . . . . . . . 331 S CB . 50204 1 608 . 1 . 1 138 138 SER N N 15 117.897 . . . . . . . . 331 S N . 50204 1 609 . 1 . 1 139 139 TYR H H 1 8.094 . . . . . . . . 332 Y HN . 50204 1 610 . 1 . 1 139 139 TYR C C 13 175.403 . . . . . . . . 332 Y CO . 50204 1 611 . 1 . 1 139 139 TYR CA C 13 58.037 . . . . . . . . 332 Y CA . 50204 1 612 . 1 . 1 139 139 TYR CB C 13 38.582 . . . . . . . . 332 Y CB . 50204 1 613 . 1 . 1 139 139 TYR N N 15 122.106 . . . . . . . . 332 Y N . 50204 1 614 . 1 . 1 140 140 ILE H H 1 7.918 . . . . . . . . 333 I HN . 50204 1 615 . 1 . 1 140 140 ILE C C 13 175.723 . . . . . . . . 333 I CO . 50204 1 616 . 1 . 1 140 140 ILE CA C 13 60.730 . . . . . . . . 333 I CA . 50204 1 617 . 1 . 1 140 140 ILE CB C 13 38.639 . . . . . . . . 333 I CB . 50204 1 618 . 1 . 1 140 140 ILE N N 15 123.516 . . . . . . . . 333 I N . 50204 1 619 . 1 . 1 141 141 SER H H 1 8.260 . . . . . . . . 334 S HN . 50204 1 620 . 1 . 1 141 141 SER C C 13 174.243 . . . . . . . . 334 S CO . 50204 1 621 . 1 . 1 141 141 SER CA C 13 58.120 . . . . . . . . 334 S CA . 50204 1 622 . 1 . 1 141 141 SER CB C 13 63.793 . . . . . . . . 334 S CB . 50204 1 623 . 1 . 1 141 141 SER N N 15 120.076 . . . . . . . . 334 S N . 50204 1 624 . 1 . 1 142 142 ALA H H 1 8.307 . . . . . . . . 335 A HN . 50204 1 625 . 1 . 1 142 142 ALA C C 13 177.162 . . . . . . . . 335 A CO . 50204 1 626 . 1 . 1 142 142 ALA CA C 13 52.388 . . . . . . . . 335 A CA . 50204 1 627 . 1 . 1 142 142 ALA CB C 13 19.146 . . . . . . . . 335 A CB . 50204 1 628 . 1 . 1 142 142 ALA N N 15 126.340 . . . . . . . . 335 A N . 50204 1 629 . 1 . 1 143 143 ALA H H 1 8.166 . . . . . . . . 336 A HN . 50204 1 630 . 1 . 1 143 143 ALA C C 13 177.469 . . . . . . . . 336 A CO . 50204 1 631 . 1 . 1 143 143 ALA CA C 13 52.162 . . . . . . . . 336 A CA . 50204 1 632 . 1 . 1 143 143 ALA CB C 13 19.185 . . . . . . . . 336 A CB . 50204 1 633 . 1 . 1 143 143 ALA N N 15 122.880 . . . . . . . . 336 A N . 50204 1 634 . 1 . 1 144 144 SER H H 1 8.204 . . . . . . . . 337 S HN . 50204 1 635 . 1 . 1 144 144 SER C C 13 172.284 . . . . . . . . 337 S CO . 50204 1 636 . 1 . 1 144 144 SER CA C 13 56.329 . . . . . . . . 337 S CA . 50204 1 637 . 1 . 1 144 144 SER CB C 13 63.159 . . . . . . . . 337 S CB . 50204 1 638 . 1 . 1 144 144 SER N N 15 116.767 . . . . . . . . 337 S N . 50204 1 639 . 1 . 1 145 145 PRO C C 13 176.220 . . . . . . . . 338 P CO . 50204 1 640 . 1 . 1 145 145 PRO CA C 13 62.853 . . . . . . . . 338 P CA . 50204 1 641 . 1 . 1 145 145 PRO CB C 13 31.953 . . . . . . . . 338 P CB . 50204 1 642 . 1 . 1 146 146 ALA H H 1 8.404 . . . . . . . . 339 A HN . 50204 1 643 . 1 . 1 146 146 ALA C C 13 175.527 . . . . . . . . 339 A CO . 50204 1 644 . 1 . 1 146 146 ALA CA C 13 50.384 . . . . . . . . 339 A CA . 50204 1 645 . 1 . 1 146 146 ALA CB C 13 17.829 . . . . . . . . 339 A CB . 50204 1 646 . 1 . 1 146 146 ALA N N 15 125.991 . . . . . . . . 339 A N . 50204 1 647 . 1 . 1 147 147 PRO C C 13 177.010 . . . . . . . . 340 P CO . 50204 1 648 . 1 . 1 147 147 PRO CA C 13 62.978 . . . . . . . . 340 P CA . 50204 1 649 . 1 . 1 147 147 PRO CB C 13 31.979 . . . . . . . . 340 P CB . 50204 1 650 . 1 . 1 148 148 SER H H 1 8.492 . . . . . . . . 341 S HN . 50204 1 651 . 1 . 1 148 148 SER C C 13 174.890 . . . . . . . . 341 S CO . 50204 1 652 . 1 . 1 148 148 SER CA C 13 58.285 . . . . . . . . 341 S CA . 50204 1 653 . 1 . 1 148 148 SER CB C 13 63.625 . . . . . . . . 341 S CB . 50204 1 654 . 1 . 1 148 148 SER N N 15 116.281 . . . . . . . . 341 S N . 50204 1 655 . 1 . 1 149 149 THR H H 1 8.105 . . . . . . . . 342 T HN . 50204 1 656 . 1 . 1 149 149 THR C C 13 174.936 . . . . . . . . 342 T CO . 50204 1 657 . 1 . 1 149 149 THR CA C 13 61.728 . . . . . . . . 342 T CA . 50204 1 658 . 1 . 1 149 149 THR CB C 13 69.741 . . . . . . . . 342 T CB . 50204 1 659 . 1 . 1 149 149 THR N N 15 114.812 . . . . . . . . 342 T N . 50204 1 660 . 1 . 1 150 150 GLY H H 1 8.273 . . . . . . . . 343 G HN . 50204 1 661 . 1 . 1 150 150 GLY C C 13 173.769 . . . . . . . . 343 G CO . 50204 1 662 . 1 . 1 150 150 GLY CA C 13 45.021 . . . . . . . . 343 G CA . 50204 1 663 . 1 . 1 150 150 GLY N N 15 110.337 . . . . . . . . 343 G N . 50204 1 664 . 1 . 1 151 151 PHE H H 1 8.179 . . . . . . . . 344 F HN . 50204 1 665 . 1 . 1 151 151 PHE C C 13 176.432 . . . . . . . . 344 F CO . 50204 1 666 . 1 . 1 151 151 PHE CA C 13 57.969 . . . . . . . . 344 F CA . 50204 1 667 . 1 . 1 151 151 PHE CB C 13 39.410 . . . . . . . . 344 F CB . 50204 1 668 . 1 . 1 151 151 PHE N N 15 120.022 . . . . . . . . 344 F N . 50204 1 669 . 1 . 1 152 152 GLY H H 1 8.407 . . . . . . . . 345 G HN . 50204 1 670 . 1 . 1 152 152 GLY C C 13 173.803 . . . . . . . . 345 G CO . 50204 1 671 . 1 . 1 152 152 GLY CA C 13 45.182 . . . . . . . . 345 G CA . 50204 1 672 . 1 . 1 152 152 GLY N N 15 110.617 . . . . . . . . 345 G N . 50204 1 673 . 1 . 1 153 153 HIS H H 1 8.239 . . . . . . . . 346 H HN . 50204 1 674 . 1 . 1 153 153 HIS C C 13 174.395 . . . . . . . . 346 H CO . 50204 1 675 . 1 . 1 153 153 HIS CA C 13 55.094 . . . . . . . . 346 H CA . 50204 1 676 . 1 . 1 153 153 HIS CB C 13 29.181 . . . . . . . . 346 H CB . 50204 1 677 . 1 . 1 153 153 HIS N N 15 118.078 . . . . . . . . 346 H N . 50204 1 678 . 1 . 1 154 154 SER H H 1 8.403 . . . . . . . . 347 S HN . 50204 1 679 . 1 . 1 154 154 SER C C 13 174.510 . . . . . . . . 347 S CO . 50204 1 680 . 1 . 1 154 154 SER CA C 13 58.252 . . . . . . . . 347 S CA . 50204 1 681 . 1 . 1 154 154 SER CB C 13 63.726 . . . . . . . . 347 S CB . 50204 1 682 . 1 . 1 154 154 SER N N 15 117.226 . . . . . . . . 347 S N . 50204 1 683 . 1 . 1 155 155 LEU H H 1 8.479 . . . . . . . . 348 L HN . 50204 1 684 . 1 . 1 155 155 LEU C C 13 177.763 . . . . . . . . 348 L CO . 50204 1 685 . 1 . 1 155 155 LEU CA C 13 55.287 . . . . . . . . 348 L CA . 50204 1 686 . 1 . 1 155 155 LEU CB C 13 42.105 . . . . . . . . 348 L CB . 50204 1 687 . 1 . 1 155 155 LEU N N 15 124.445 . . . . . . . . 348 L N . 50204 1 688 . 1 . 1 156 156 GLY H H 1 8.382 . . . . . . . . 349 G HN . 50204 1 689 . 1 . 1 156 156 GLY C C 13 174.081 . . . . . . . . 349 G CO . 50204 1 690 . 1 . 1 156 156 GLY CA C 13 45.012 . . . . . . . . 349 G CA . 50204 1 691 . 1 . 1 156 156 GLY N N 15 109.553 . . . . . . . . 349 G N . 50204 1 692 . 1 . 1 157 157 GLY H H 1 8.069 . . . . . . . . 350 G HN . 50204 1 693 . 1 . 1 157 157 GLY C C 13 171.626 . . . . . . . . 350 G CO . 50204 1 694 . 1 . 1 157 157 GLY CA C 13 44.382 . . . . . . . . 350 G CA . 50204 1 695 . 1 . 1 157 157 GLY N N 15 108.896 . . . . . . . . 350 G N . 50204 1 696 . 1 . 1 158 158 PRO C C 13 176.764 . . . . . . . . 351 P CO . 50204 1 697 . 1 . 1 158 158 PRO CA C 13 62.929 . . . . . . . . 351 P CA . 50204 1 698 . 1 . 1 158 158 PRO CB C 13 32.104 . . . . . . . . 351 P CB . 50204 1 699 . 1 . 1 159 159 LEU H H 1 8.332 . . . . . . . . 352 L HN . 50204 1 700 . 1 . 1 159 159 LEU C C 13 177.175 . . . . . . . . 352 L CO . 50204 1 701 . 1 . 1 159 159 LEU CA C 13 55.155 . . . . . . . . 352 L CA . 50204 1 702 . 1 . 1 159 159 LEU CB C 13 41.983 . . . . . . . . 352 L CB . 50204 1 703 . 1 . 1 159 159 LEU N N 15 122.192 . . . . . . . . 352 L N . 50204 1 704 . 1 . 1 160 160 ILE H H 1 8.060 . . . . . . . . 353 I HN . 50204 1 705 . 1 . 1 160 160 ILE C C 13 175.715 . . . . . . . . 353 I CO . 50204 1 706 . 1 . 1 160 160 ILE CA C 13 60.526 . . . . . . . . 353 I CA . 50204 1 707 . 1 . 1 160 160 ILE CB C 13 38.452 . . . . . . . . 353 I CB . 50204 1 708 . 1 . 1 160 160 ILE N N 15 122.607 . . . . . . . . 353 I N . 50204 1 709 . 1 . 1 161 161 ALA H H 1 8.407 . . . . . . . . 354 A HN . 50204 1 710 . 1 . 1 161 161 ALA C C 13 177.664 . . . . . . . . 354 A CO . 50204 1 711 . 1 . 1 161 161 ALA CA C 13 52.485 . . . . . . . . 354 A CA . 50204 1 712 . 1 . 1 161 161 ALA CB C 13 19.180 . . . . . . . . 354 A CB . 50204 1 713 . 1 . 1 161 161 ALA N N 15 128.692 . . . . . . . . 354 A N . 50204 1 714 . 1 . 1 162 162 THR H H 1 8.044 . . . . . . . . 355 T HN . 50204 1 715 . 1 . 1 162 162 THR C C 13 174.109 . . . . . . . . 355 T CO . 50204 1 716 . 1 . 1 162 162 THR CA C 13 61.667 . . . . . . . . 355 T CA . 50204 1 717 . 1 . 1 162 162 THR CB C 13 69.833 . . . . . . . . 355 T CB . 50204 1 718 . 1 . 1 162 162 THR N N 15 113.656 . . . . . . . . 355 T N . 50204 1 719 . 1 . 1 163 163 ALA H H 1 8.206 . . . . . . . . 356 A HN . 50204 1 720 . 1 . 1 163 163 ALA C C 13 177.283 . . . . . . . . 356 A CO . 50204 1 721 . 1 . 1 163 163 ALA CA C 13 52.435 . . . . . . . . 356 A CA . 50204 1 722 . 1 . 1 163 163 ALA CB C 13 19.073 . . . . . . . . 356 A CB . 50204 1 723 . 1 . 1 163 163 ALA N N 15 125.854 . . . . . . . . 356 A N . 50204 1 724 . 1 . 1 164 164 PHE H H 1 8.181 . . . . . . . . 357 F HN . 50204 1 725 . 1 . 1 164 164 PHE C C 13 176.119 . . . . . . . . 357 F CO . 50204 1 726 . 1 . 1 164 164 PHE CA C 13 57.620 . . . . . . . . 357 F CA . 50204 1 727 . 1 . 1 164 164 PHE CB C 13 39.310 . . . . . . . . 357 F CB . 50204 1 728 . 1 . 1 164 164 PHE N N 15 119.311 . . . . . . . . 357 F N . 50204 1 729 . 1 . 1 165 165 THR H H 1 8.049 . . . . . . . . 358 T HN . 50204 1 730 . 1 . 1 165 165 THR C C 13 174.084 . . . . . . . . 358 T CO . 50204 1 731 . 1 . 1 165 165 THR CA C 13 61.707 . . . . . . . . 358 T CA . 50204 1 732 . 1 . 1 165 165 THR CB C 13 69.716 . . . . . . . . 358 T CB . 50204 1 733 . 1 . 1 165 165 THR N N 15 115.420 . . . . . . . . 358 T N . 50204 1 734 . 1 . 1 166 166 ASN H H 1 8.335 . . . . . . . . 359 N HN . 50204 1 735 . 1 . 1 166 166 ASN C C 13 175.381 . . . . . . . . 359 N CO . 50204 1 736 . 1 . 1 166 166 ASN CA C 13 53.328 . . . . . . . . 359 N CA . 50204 1 737 . 1 . 1 166 166 ASN CB C 13 38.642 . . . . . . . . 359 N CB . 50204 1 738 . 1 . 1 166 166 ASN N N 15 120.646 . . . . . . . . 359 N N . 50204 1 739 . 1 . 1 167 167 GLY H H 1 8.225 . . . . . . . . 360 G HN . 50204 1 740 . 1 . 1 167 167 GLY C C 13 173.468 . . . . . . . . 360 G CO . 50204 1 741 . 1 . 1 167 167 GLY CA C 13 45.079 . . . . . . . . 360 G CA . 50204 1 742 . 1 . 1 167 167 GLY N N 15 108.830 . . . . . . . . 360 G N . 50204 1 743 . 1 . 1 168 168 TYR H H 1 7.983 . . . . . . . . 361 Y HN . 50204 1 744 . 1 . 1 168 168 TYR C C 13 174.837 . . . . . . . . 361 Y CO . 50204 1 745 . 1 . 1 168 168 TYR CA C 13 57.961 . . . . . . . . 361 Y CA . 50204 1 746 . 1 . 1 168 168 TYR CB C 13 38.555 . . . . . . . . 361 Y CB . 50204 1 747 . 1 . 1 168 168 TYR N N 15 120.314 . . . . . . . . 361 Y N . 50204 1 748 . 1 . 1 169 169 HIS H H 1 7.776 . . . . . . . . 362 H HN . 50204 1 749 . 1 . 1 169 169 HIS C C 13 178.140 . . . . . . . . 362 H CO . 50204 1 750 . 1 . 1 169 169 HIS CA C 13 56.718 . . . . . . . . 362 H CA . 50204 1 751 . 1 . 1 169 169 HIS CB C 13 29.873 . . . . . . . . 362 H CB . 50204 1 752 . 1 . 1 169 169 HIS N N 15 124.925 . . . . . . . . 362 H N . 50204 1 stop_ save_