data_26728 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26728 _Entry.Title ; An NMR chemical shift assignment strategy for prone-to-aggregate intrinsically disordered proteins: a case study of the C-terminal domain of TDP-43 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-11 _Entry.Accession_date 2016-01-11 _Entry.Last_release_date 2016-11-16 _Entry.Original_release_date 2016-11-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Jie-rong Huang . . . . 26728 2 Tsai-Chen Chen . . . . 26728 3 Chih-Lun Hsiao . . . . 26728 4 Shing-Jong Huang . . . . 26728 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26728 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 390 26728 '15N chemical shifts' 145 26728 '1H chemical shifts' 145 26728 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 . . 2016-11-16 . original BMRB . 26728 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26728 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27653629 _Citation.Full_citation . _Citation.Title ; The nearest-neighbor effect on random-coil NMR chemical shifts demonstrated using a low-complexity amino-acid sequence ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Pept. Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 11 _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 967 _Citation.Page_last 975 _Citation.Year 2016 _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 . . . . 26728 1 2 Chih-Lun Hsiao . . . . 26728 1 3 Shing-Jong Huang . . . . 26728 1 4 Jie-rong Huang . . . . 26728 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26728 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of TDP-43' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 TDP-43-C 1 $TDP-43-C A . yes 'intrinsically disordered' no no . . . 26728 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TDP-43-C _Entity.Sf_category entity _Entity.Sf_framecode TDP-43-C _Entity.Entry_ID 26728 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TDP-43-C _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 ; MASHHHHHHGSSNRQLERSG RFGGNPGGFGNQGGFGNSRG GGAGLGNNQGSNMGGGMNFG AFSINPAMMAAAQAALQSSW GMMGMLASQQNQSGPSGNNQ NQGNMQREPNQAFGSGNNSY SGSNSGAAIGWGSASNAGSG SGFNGGFGSSMDSKSSGWGM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 1 255 MET . 26728 1 2 256 ALA . 26728 1 3 257 SER . 26728 1 4 258 HIS . 26728 1 5 259 HIS . 26728 1 6 260 HIS . 26728 1 7 261 HIS . 26728 1 8 262 HIS . 26728 1 9 263 HIS . 26728 1 10 264 GLY . 26728 1 11 265 SER . 26728 1 12 266 SER . 26728 1 13 267 ASN . 26728 1 14 268 ARG . 26728 1 15 269 GLN . 26728 1 16 270 LEU . 26728 1 17 271 GLU . 26728 1 18 272 ARG . 26728 1 19 273 SER . 26728 1 20 274 GLY . 26728 1 21 275 ARG . 26728 1 22 276 PHE . 26728 1 23 277 GLY . 26728 1 24 278 GLY . 26728 1 25 279 ASN . 26728 1 26 280 PRO . 26728 1 27 281 GLY . 26728 1 28 282 GLY . 26728 1 29 283 PHE . 26728 1 30 284 GLY . 26728 1 31 285 ASN . 26728 1 32 286 GLN . 26728 1 33 287 GLY . 26728 1 34 288 GLY . 26728 1 35 289 PHE . 26728 1 36 290 GLY . 26728 1 37 291 ASN . 26728 1 38 292 SER . 26728 1 39 293 ARG . 26728 1 40 294 GLY . 26728 1 41 295 GLY . 26728 1 42 296 GLY . 26728 1 43 297 ALA . 26728 1 44 298 GLY . 26728 1 45 299 LEU . 26728 1 46 300 GLY . 26728 1 47 301 ASN . 26728 1 48 302 ASN . 26728 1 49 303 GLN . 26728 1 50 304 GLY . 26728 1 51 305 SER . 26728 1 52 306 ASN . 26728 1 53 307 MET . 26728 1 54 308 GLY . 26728 1 55 309 GLY . 26728 1 56 310 GLY . 26728 1 57 311 MET . 26728 1 58 312 ASN . 26728 1 59 313 PHE . 26728 1 60 314 GLY . 26728 1 61 315 ALA . 26728 1 62 316 PHE . 26728 1 63 317 SER . 26728 1 64 318 ILE . 26728 1 65 319 ASN . 26728 1 66 320 PRO . 26728 1 67 321 ALA . 26728 1 68 322 MET . 26728 1 69 323 MET . 26728 1 70 324 ALA . 26728 1 71 325 ALA . 26728 1 72 326 ALA . 26728 1 73 327 GLN . 26728 1 74 328 ALA . 26728 1 75 329 ALA . 26728 1 76 330 LEU . 26728 1 77 331 GLN . 26728 1 78 332 SER . 26728 1 79 333 SER . 26728 1 80 334 TRP . 26728 1 81 335 GLY . 26728 1 82 336 MET . 26728 1 83 337 MET . 26728 1 84 338 GLY . 26728 1 85 339 MET . 26728 1 86 340 LEU . 26728 1 87 341 ALA . 26728 1 88 342 SER . 26728 1 89 343 GLN . 26728 1 90 344 GLN . 26728 1 91 345 ASN . 26728 1 92 346 GLN . 26728 1 93 347 SER . 26728 1 94 348 GLY . 26728 1 95 349 PRO . 26728 1 96 350 SER . 26728 1 97 351 GLY . 26728 1 98 352 ASN . 26728 1 99 353 ASN . 26728 1 100 354 GLN . 26728 1 101 355 ASN . 26728 1 102 356 GLN . 26728 1 103 357 GLY . 26728 1 104 358 ASN . 26728 1 105 359 MET . 26728 1 106 360 GLN . 26728 1 107 361 ARG . 26728 1 108 362 GLU . 26728 1 109 363 PRO . 26728 1 110 364 ASN . 26728 1 111 365 GLN . 26728 1 112 366 ALA . 26728 1 113 367 PHE . 26728 1 114 368 GLY . 26728 1 115 369 SER . 26728 1 116 370 GLY . 26728 1 117 371 ASN . 26728 1 118 372 ASN . 26728 1 119 373 SER . 26728 1 120 374 TYR . 26728 1 121 375 SER . 26728 1 122 376 GLY . 26728 1 123 377 SER . 26728 1 124 378 ASN . 26728 1 125 379 SER . 26728 1 126 380 GLY . 26728 1 127 381 ALA . 26728 1 128 382 ALA . 26728 1 129 383 ILE . 26728 1 130 384 GLY . 26728 1 131 385 TRP . 26728 1 132 386 GLY . 26728 1 133 387 SER . 26728 1 134 388 ALA . 26728 1 135 389 SER . 26728 1 136 390 ASN . 26728 1 137 391 ALA . 26728 1 138 392 GLY . 26728 1 139 393 SER . 26728 1 140 394 GLY . 26728 1 141 395 SER . 26728 1 142 396 GLY . 26728 1 143 397 PHE . 26728 1 144 398 ASN . 26728 1 145 399 GLY . 26728 1 146 400 GLY . 26728 1 147 401 PHE . 26728 1 148 402 GLY . 26728 1 149 403 SER . 26728 1 150 404 SER . 26728 1 151 405 MET . 26728 1 152 406 ASP . 26728 1 153 407 SER . 26728 1 154 408 LYS . 26728 1 155 409 SER . 26728 1 156 410 SER . 26728 1 157 411 GLY . 26728 1 158 412 TRP . 26728 1 159 413 GLY . 26728 1 160 414 MET . 26728 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26728 1 . ALA 2 2 26728 1 . SER 3 3 26728 1 . HIS 4 4 26728 1 . HIS 5 5 26728 1 . HIS 6 6 26728 1 . HIS 7 7 26728 1 . HIS 8 8 26728 1 . HIS 9 9 26728 1 . GLY 10 10 26728 1 . SER 11 11 26728 1 . SER 12 12 26728 1 . ASN 13 13 26728 1 . ARG 14 14 26728 1 . GLN 15 15 26728 1 . LEU 16 16 26728 1 . GLU 17 17 26728 1 . ARG 18 18 26728 1 . SER 19 19 26728 1 . GLY 20 20 26728 1 . ARG 21 21 26728 1 . PHE 22 22 26728 1 . GLY 23 23 26728 1 . GLY 24 24 26728 1 . ASN 25 25 26728 1 . PRO 26 26 26728 1 . GLY 27 27 26728 1 . GLY 28 28 26728 1 . PHE 29 29 26728 1 . GLY 30 30 26728 1 . ASN 31 31 26728 1 . GLN 32 32 26728 1 . GLY 33 33 26728 1 . GLY 34 34 26728 1 . PHE 35 35 26728 1 . GLY 36 36 26728 1 . ASN 37 37 26728 1 . SER 38 38 26728 1 . ARG 39 39 26728 1 . GLY 40 40 26728 1 . GLY 41 41 26728 1 . GLY 42 42 26728 1 . ALA 43 43 26728 1 . GLY 44 44 26728 1 . LEU 45 45 26728 1 . GLY 46 46 26728 1 . ASN 47 47 26728 1 . ASN 48 48 26728 1 . GLN 49 49 26728 1 . GLY 50 50 26728 1 . SER 51 51 26728 1 . ASN 52 52 26728 1 . MET 53 53 26728 1 . GLY 54 54 26728 1 . GLY 55 55 26728 1 . GLY 56 56 26728 1 . MET 57 57 26728 1 . ASN 58 58 26728 1 . PHE 59 59 26728 1 . GLY 60 60 26728 1 . ALA 61 61 26728 1 . PHE 62 62 26728 1 . SER 63 63 26728 1 . ILE 64 64 26728 1 . ASN 65 65 26728 1 . PRO 66 66 26728 1 . ALA 67 67 26728 1 . MET 68 68 26728 1 . MET 69 69 26728 1 . ALA 70 70 26728 1 . ALA 71 71 26728 1 . ALA 72 72 26728 1 . GLN 73 73 26728 1 . ALA 74 74 26728 1 . ALA 75 75 26728 1 . LEU 76 76 26728 1 . GLN 77 77 26728 1 . SER 78 78 26728 1 . SER 79 79 26728 1 . TRP 80 80 26728 1 . GLY 81 81 26728 1 . MET 82 82 26728 1 . MET 83 83 26728 1 . GLY 84 84 26728 1 . MET 85 85 26728 1 . LEU 86 86 26728 1 . ALA 87 87 26728 1 . SER 88 88 26728 1 . GLN 89 89 26728 1 . GLN 90 90 26728 1 . ASN 91 91 26728 1 . GLN 92 92 26728 1 . SER 93 93 26728 1 . GLY 94 94 26728 1 . PRO 95 95 26728 1 . SER 96 96 26728 1 . GLY 97 97 26728 1 . ASN 98 98 26728 1 . ASN 99 99 26728 1 . GLN 100 100 26728 1 . ASN 101 101 26728 1 . GLN 102 102 26728 1 . GLY 103 103 26728 1 . ASN 104 104 26728 1 . MET 105 105 26728 1 . GLN 106 106 26728 1 . ARG 107 107 26728 1 . GLU 108 108 26728 1 . PRO 109 109 26728 1 . ASN 110 110 26728 1 . GLN 111 111 26728 1 . ALA 112 112 26728 1 . PHE 113 113 26728 1 . GLY 114 114 26728 1 . SER 115 115 26728 1 . GLY 116 116 26728 1 . ASN 117 117 26728 1 . ASN 118 118 26728 1 . SER 119 119 26728 1 . TYR 120 120 26728 1 . SER 121 121 26728 1 . GLY 122 122 26728 1 . SER 123 123 26728 1 . ASN 124 124 26728 1 . SER 125 125 26728 1 . GLY 126 126 26728 1 . ALA 127 127 26728 1 . ALA 128 128 26728 1 . ILE 129 129 26728 1 . GLY 130 130 26728 1 . TRP 131 131 26728 1 . GLY 132 132 26728 1 . SER 133 133 26728 1 . ALA 134 134 26728 1 . SER 135 135 26728 1 . ASN 136 136 26728 1 . ALA 137 137 26728 1 . GLY 138 138 26728 1 . SER 139 139 26728 1 . GLY 140 140 26728 1 . SER 141 141 26728 1 . GLY 142 142 26728 1 . PHE 143 143 26728 1 . ASN 144 144 26728 1 . GLY 145 145 26728 1 . GLY 146 146 26728 1 . PHE 147 147 26728 1 . GLY 148 148 26728 1 . SER 149 149 26728 1 . SER 150 150 26728 1 . MET 151 151 26728 1 . ASP 152 152 26728 1 . SER 153 153 26728 1 . LYS 154 154 26728 1 . SER 155 155 26728 1 . SER 156 156 26728 1 . GLY 157 157 26728 1 . TRP 158 158 26728 1 . GLY 159 159 26728 1 . MET 160 160 26728 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26728 _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 $TDP-43-C . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26728 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26728 _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 $TDP-43-C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21 . . . 26728 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26728 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 TDP-43-C '[U-100% 13C; U-100% 15N]' . . 1 $TDP-43-C . . 100 . . uM . . . . 26728 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 26728 _Sample_condition_list.ID 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 'ionic strength' 0 . M 26728 1 pH 6.5 . pH 26728 1 pressure 1 . atm 26728 1 temperature 283 . K 26728 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26728 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26728 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26728 1 'peak picking' 26728 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26728 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26728 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 26728 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26728 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 26728 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26728 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26728 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26728 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26728 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26728 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26728 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26728 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.25144953 . . . . . 26728 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 26728 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 26728 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26728 _Assigned_chem_shift_list.ID 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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26728 1 2 '3D HNCO' . . . 26728 1 3 '3D HNCA' . . . 26728 1 4 '3D HN(CO)CA' . . . 26728 1 5 '3D HCACO' . . . 26728 1 6 '3D CBCA(CO)NH' . . . 26728 1 7 '3D HNCACB' . . . 26728 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 12 12 SER H H 1 8.619 . . 1 . . . . 266 S HN . 26728 1 2 . 1 1 12 12 SER C C 13 174.437 . . 1 . . . . 266 S CO . 26728 1 3 . 1 1 12 12 SER CA C 13 58.648 . . 1 . . . . 266 S CA . 26728 1 4 . 1 1 12 12 SER CB C 13 63.79 . . 1 . . . . 266 S CB . 26728 1 5 . 1 1 12 12 SER N N 15 118.133 . . 1 . . . . 266 S N . 26728 1 6 . 1 1 13 13 ASN H H 1 8.578 . . 1 . . . . 267 N HN . 26728 1 7 . 1 1 13 13 ASN C C 13 175.447 . . 1 . . . . 267 N CO . 26728 1 8 . 1 1 13 13 ASN CA C 13 53.432 . . 1 . . . . 267 N CA . 26728 1 9 . 1 1 13 13 ASN CB C 13 38.585 . . 1 . . . . 267 N CB . 26728 1 10 . 1 1 13 13 ASN N N 15 120.961 . . 1 . . . . 267 N N . 26728 1 11 . 1 1 14 14 ARG H H 1 8.418 . . 1 . . . . 268 R HN . 26728 1 12 . 1 1 14 14 ARG C C 13 176.509 . . 1 . . . . 268 R CO . 26728 1 13 . 1 1 14 14 ARG CA C 13 56.567 . . 1 . . . . 268 R CA . 26728 1 14 . 1 1 14 14 ARG CB C 13 30.514 . . 1 . . . . 268 R CB . 26728 1 15 . 1 1 14 14 ARG N N 15 121.730 . . 1 . . . . 268 R N . 26728 1 16 . 1 1 15 15 GLN H H 1 8.496 . . 1 . . . . 269 Q HN . 26728 1 17 . 1 1 15 15 GLN C C 13 176.296 . . 1 . . . . 269 Q CO . 26728 1 18 . 1 1 15 15 GLN CA C 13 56.339 . . 1 . . . . 269 Q CA . 26728 1 19 . 1 1 15 15 GLN CB C 13 29.108 . . 1 . . . . 269 Q CB . 26728 1 20 . 1 1 15 15 GLN N N 15 121.193 . . 1 . . . . 269 Q N . 26728 1 21 . 1 1 16 16 LEU H H 1 8.321 . . 1 . . . . 270 L HN . 26728 1 22 . 1 1 16 16 LEU C C 13 177.671 . . 1 . . . . 270 L CO . 26728 1 23 . 1 1 16 16 LEU CA C 13 55.454 . . 1 . . . . 270 L CA . 26728 1 24 . 1 1 16 16 LEU CB C 13 42.253 . . 1 . . . . 270 L CB . 26728 1 25 . 1 1 16 16 LEU N N 15 123.109 . . 1 . . . . 270 L N . 26728 1 26 . 1 1 17 17 GLU H H 1 8.455 . . 1 . . . . 271 E HN . 26728 1 27 . 1 1 17 17 GLU C C 13 176.79 . . 1 . . . . 271 E CO . 26728 1 28 . 1 1 17 17 GLU CA C 13 56.786 . . 1 . . . . 271 E CA . 26728 1 29 . 1 1 17 17 GLU CB C 13 30.165 . . 1 . . . . 271 E CB . 26728 1 30 . 1 1 17 17 GLU N N 15 121.914 . . 1 . . . . 271 E N . 26728 1 31 . 1 1 18 18 ARG H H 1 8.493 . . 1 . . . . 272 R HN . 26728 1 32 . 1 1 18 18 ARG C C 13 176.503 . . 1 . . . . 272 R CO . 26728 1 33 . 1 1 18 18 ARG CA C 13 56.374 . . 1 . . . . 272 R CA . 26728 1 34 . 1 1 18 18 ARG CB C 13 30.747 . . 1 . . . . 272 R CB . 26728 1 35 . 1 1 18 18 ARG N N 15 122.152 . . 1 . . . . 272 R N . 26728 1 36 . 1 1 19 19 SER H H 1 8.441 . . 1 . . . . 273 S HN . 26728 1 37 . 1 1 19 19 SER C C 13 175.12 . . 1 . . . . 273 S CO . 26728 1 38 . 1 1 19 19 SER CA C 13 58.673 . . 1 . . . . 273 S CA . 26728 1 39 . 1 1 19 19 SER CB C 13 63.97 . . 1 . . . . 273 S CB . 26728 1 40 . 1 1 19 19 SER N N 15 116.674 . . 1 . . . . 273 S N . 26728 1 41 . 1 1 20 20 GLY H H 1 8.517 . . 1 . . . . 274 G HN . 26728 1 42 . 1 1 20 20 GLY C C 13 174.225 . . 1 . . . . 274 G CO . 26728 1 43 . 1 1 20 20 GLY CA C 13 45.38 . . 1 . . . . 274 G CA . 26728 1 44 . 1 1 20 20 GLY N N 15 110.746 . . 1 . . . . 274 G N . 26728 1 45 . 1 1 21 21 ARG H H 1 8.202 . . 1 . . . . 275 R HN . 26728 1 46 . 1 1 21 21 ARG C C 13 176.218 . . 1 . . . . 275 R CO . 26728 1 47 . 1 1 21 21 ARG CA C 13 56.35 . . 1 . . . . 275 R CA . 26728 1 48 . 1 1 21 21 ARG CB C 13 30.707 . . 1 . . . . 275 R CB . 26728 1 49 . 1 1 21 21 ARG N N 15 120.582 . . 1 . . . . 275 R N . 26728 1 50 . 1 1 22 22 PHE H H 1 8.481 . . 1 . . . . 276 F HN . 26728 1 51 . 1 1 22 22 PHE C C 13 176.389 . . 1 . . . . 276 F CO . 26728 1 52 . 1 1 22 22 PHE CA C 13 57.703 . . 1 . . . . 276 F CA . 26728 1 53 . 1 1 22 22 PHE CB C 13 39.432 . . 1 . . . . 276 F CB . 26728 1 54 . 1 1 22 22 PHE N N 15 121.154 . . 1 . . . . 276 F N . 26728 1 55 . 1 1 23 23 GLY H H 1 8.403 . . 1 . . . . 277 G HN . 26728 1 56 . 1 1 23 23 GLY C C 13 174.443 . . 1 . . . . 277 G CO . 26728 1 57 . 1 1 23 23 GLY CA C 13 45.329 . . 1 . . . . 277 G CA . 26728 1 58 . 1 1 23 23 GLY N N 15 111.027 . . 1 . . . . 277 G N . 26728 1 59 . 1 1 24 24 GLY H H 1 8.005 . . 1 . . . . 278 G HN . 26728 1 60 . 1 1 24 24 GLY C C 13 173.41 . . 1 . . . . 278 G CO . 26728 1 61 . 1 1 24 24 GLY CA C 13 44.939 . . 1 . . . . 278 G CA . 26728 1 62 . 1 1 24 24 GLY N N 15 107.975 . . 1 . . . . 278 G N . 26728 1 63 . 1 1 25 25 ASN H H 1 8.492 . . 1 . . . . 279 N HN . 26728 1 64 . 1 1 25 25 ASN N N 15 119.170 . . 1 . . . . 279 N N . 26728 1 65 . 1 1 26 26 PRO C C 13 177.526 . . 1 . . . . 280 P CO . 26728 1 66 . 1 1 26 26 PRO CA C 13 63.842 . . 1 . . . . 280 P CA . 26728 1 67 . 1 1 26 26 PRO CB C 13 31.959 . . 1 . . . . 280 P CB . 26728 1 68 . 1 1 27 27 GLY H H 1 8.537 . . 1 . . . . 281 G HN . 26728 1 69 . 1 1 27 27 GLY C C 13 174.557 . . 1 . . . . 281 G CO . 26728 1 70 . 1 1 27 27 GLY CA C 13 45.297 . . 1 . . . . 281 G CA . 26728 1 71 . 1 1 27 27 GLY N N 15 108.961 . . 1 . . . . 281 G N . 26728 1 72 . 1 1 28 28 GLY H H 1 8.156 . . 1 . . . . 282 G HN . 26728 1 73 . 1 1 28 28 GLY C C 13 174 . . 1 . . . . 282 G CO . 26728 1 74 . 1 1 28 28 GLY CA C 13 45.141 . . 1 . . . . 282 G CA . 26728 1 75 . 1 1 28 28 GLY N N 15 108.330 . . 1 . . . . 282 G N . 26728 1 76 . 1 1 29 29 PHE H H 1 8.277 . . 1 . . . . 283 F HN . 26728 1 77 . 1 1 29 29 PHE C C 13 176.574 . . 1 . . . . 283 F CO . 26728 1 78 . 1 1 29 29 PHE CA C 13 58.065 . . 1 . . . . 283 F CA . 26728 1 79 . 1 1 29 29 PHE CB C 13 39.589 . . 1 . . . . 283 F CB . 26728 1 80 . 1 1 29 29 PHE N N 15 119.944 . . 1 . . . . 283 F N . 26728 1 81 . 1 1 30 30 GLY H H 1 8.536 . . 1 . . . . 284 G HN . 26728 1 82 . 1 1 30 30 GLY C C 13 173.994 . . 1 . . . . 284 G CO . 26728 1 83 . 1 1 30 30 GLY CA C 13 45.455 . . 1 . . . . 284 G CA . 26728 1 84 . 1 1 30 30 GLY N N 15 110.544 . . 1 . . . . 284 G N . 26728 1 85 . 1 1 31 31 ASN H H 1 8.408 . . 1 . . . . 285 N HN . 26728 1 86 . 1 1 31 31 ASN C C 13 175.635 . . 1 . . . . 285 N CO . 26728 1 87 . 1 1 31 31 ASN CA C 13 53.332 . . 1 . . . . 285 N CA . 26728 1 88 . 1 1 31 31 ASN CB C 13 38.822 . . 1 . . . . 285 N CB . 26728 1 89 . 1 1 31 31 ASN N N 15 118.788 . . 1 . . . . 285 N N . 26728 1 90 . 1 1 32 32 GLN H H 1 8.599 . . 1 . . . . 286 Q HN . 26728 1 91 . 1 1 32 32 GLN C C 13 176.56 . . 1 . . . . 286 Q CO . 26728 1 92 . 1 1 32 32 GLN CA C 13 56.326 . . 1 . . . . 286 Q CA . 26728 1 93 . 1 1 32 32 GLN CB C 13 29.262 . . 1 . . . . 286 Q CB . 26728 1 94 . 1 1 32 32 GLN N N 15 120.688 . . 1 . . . . 286 Q N . 26728 1 95 . 1 1 33 33 GLY H H 1 8.515 . . 1 . . . . 287 G HN . 26728 1 96 . 1 1 33 33 GLY C C 13 174.492 . . 1 . . . . 287 G CO . 26728 1 97 . 1 1 33 33 GLY CA C 13 45.385 . . 1 . . . . 287 G CA . 26728 1 98 . 1 1 33 33 GLY N N 15 109.701 . . 1 . . . . 287 G N . 26728 1 99 . 1 1 34 34 GLY H H 1 8.234 . . 1 . . . . 288 G HN . 26728 1 100 . 1 1 34 34 GLY C C 13 174.04 . . 1 . . . . 288 G CO . 26728 1 101 . 1 1 34 34 GLY CA C 13 45.141 . . 1 . . . . 288 G CA . 26728 1 102 . 1 1 34 34 GLY N N 15 108.457 . . 1 . . . . 288 G N . 26728 1 103 . 1 1 35 35 PHE H H 1 8.288 . . 1 . . . . 289 F HN . 26728 1 104 . 1 1 35 35 PHE C C 13 176.545 . . 1 . . . . 289 F CO . 26728 1 105 . 1 1 35 35 PHE CA C 13 58.065 . . 1 . . . . 289 F CA . 26728 1 106 . 1 1 35 35 PHE CB C 13 39.589 . . 1 . . . . 289 F CB . 26728 1 107 . 1 1 35 35 PHE N N 15 119.852 . . 1 . . . . 289 F N . 26728 1 108 . 1 1 36 36 GLY H H 1 8.538 . . 1 . . . . 290 G HN . 26728 1 109 . 1 1 36 36 GLY C C 13 173.994 . . 1 . . . . 290 G CO . 26728 1 110 . 1 1 36 36 GLY CA C 13 45.412 . . 1 . . . . 290 G CA . 26728 1 111 . 1 1 36 36 GLY N N 15 110.546 . . 1 . . . . 290 G N . 26728 1 112 . 1 1 37 37 ASN H H 1 8.402 . . 1 . . . . 291 N HN . 26728 1 113 . 1 1 37 37 ASN C C 13 175.62 . . 1 . . . . 291 N CO . 26728 1 114 . 1 1 37 37 ASN CA C 13 53.198 . . 1 . . . . 291 N CA . 26728 1 115 . 1 1 37 37 ASN CB C 13 38.997 . . 1 . . . . 291 N CB . 26728 1 116 . 1 1 37 37 ASN N N 15 118.898 . . 1 . . . . 291 N N . 26728 1 117 . 1 1 38 38 SER H H 1 8.459 . . 1 . . . . 292 S HN . 26728 1 118 . 1 1 38 38 SER C C 13 174.832 . . 1 . . . . 292 S CO . 26728 1 119 . 1 1 38 38 SER CA C 13 58.817 . . 1 . . . . 292 S CA . 26728 1 120 . 1 1 38 38 SER CB C 13 63.763 . . 1 . . . . 292 S CB . 26728 1 121 . 1 1 38 38 SER N N 15 116.456 . . 1 . . . . 292 S N . 26728 1 122 . 1 1 39 39 ARG H H 1 8.522 . . 1 . . . . 293 R HN . 26728 1 123 . 1 1 39 39 ARG C C 13 176.928 . . 1 . . . . 293 R CO . 26728 1 124 . 1 1 39 39 ARG CA C 13 56.388 . . 1 . . . . 293 R CA . 26728 1 125 . 1 1 39 39 ARG CB C 13 30.566 . . 1 . . . . 293 R CB . 26728 1 126 . 1 1 39 39 ARG N N 15 122.749 . . 1 . . . . 293 R N . 26728 1 127 . 1 1 40 40 GLY H H 1 8.500 . . 1 . . . . 294 G HN . 26728 1 128 . 1 1 40 40 GLY C C 13 174.735 . . 1 . . . . 294 G CO . 26728 1 129 . 1 1 40 40 GLY CA C 13 45.445 . . 1 . . . . 294 G CA . 26728 1 130 . 1 1 40 40 GLY N N 15 109.762 . . 1 . . . . 294 G N . 26728 1 131 . 1 1 41 41 GLY H H 1 8.390 . . 1 . . . . 295 G HN . 26728 1 132 . 1 1 41 41 GLY C C 13 174.807 . . 1 . . . . 295 G CO . 26728 1 133 . 1 1 41 41 GLY CA C 13 45.331 . . 1 . . . . 295 G CA . 26728 1 134 . 1 1 41 41 GLY N N 15 108.793 . . 1 . . . . 295 G N . 26728 1 135 . 1 1 42 42 GLY H H 1 8.424 . . 1 . . . . 296 G HN . 26728 1 136 . 1 1 42 42 GLY C C 13 174.052 . . 1 . . . . 296 G CO . 26728 1 137 . 1 1 42 42 GLY CA C 13 45.244 . . 1 . . . . 296 G CA . 26728 1 138 . 1 1 42 42 GLY N N 15 108.974 . . 1 . . . . 296 G N . 26728 1 139 . 1 1 43 43 ALA H H 1 8.376 . . 1 . . . . 297 A HN . 26728 1 140 . 1 1 43 43 ALA C C 13 178.348 . . 1 . . . . 297 A CO . 26728 1 141 . 1 1 43 43 ALA CA C 13 52.693 . . 1 . . . . 297 A CA . 26728 1 142 . 1 1 43 43 ALA CB C 13 19.328 . . 1 . . . . 297 A CB . 26728 1 143 . 1 1 43 43 ALA N N 15 123.756 . . 1 . . . . 297 A N . 26728 1 144 . 1 1 44 44 GLY H H 1 8.491 . . 1 . . . . 298 G HN . 26728 1 145 . 1 1 44 44 GLY C C 13 174.303 . . 1 . . . . 298 G CO . 26728 1 146 . 1 1 44 44 GLY CA C 13 45.323 . . 1 . . . . 298 G CA . 26728 1 147 . 1 1 44 44 GLY N N 15 108.172 . . 1 . . . . 298 G N . 26728 1 148 . 1 1 45 45 LEU H H 1 8.240 . . 1 . . . . 299 L HN . 26728 1 149 . 1 1 45 45 LEU C C 13 178.112 . . 1 . . . . 299 L CO . 26728 1 150 . 1 1 45 45 LEU CA C 13 55.247 . . 1 . . . . 299 L CA . 26728 1 151 . 1 1 45 45 LEU CB C 13 42.413 . . 1 . . . . 299 L CB . 26728 1 152 . 1 1 45 45 LEU N N 15 121.385 . . 1 . . . . 299 L N . 26728 1 153 . 1 1 46 46 GLY H H 1 8.551 . . 1 . . . . 300 G HN . 26728 1 154 . 1 1 46 46 GLY C C 13 173.987 . . 1 . . . . 300 G CO . 26728 1 155 . 1 1 46 46 GLY CA C 13 45.357 . . 1 . . . . 300 G CA . 26728 1 156 . 1 1 46 46 GLY N N 15 109.368 . . 1 . . . . 300 G N . 26728 1 157 . 1 1 47 47 ASN H H 1 8.416 . . 1 . . . . 301 N HN . 26728 1 158 . 1 1 47 47 ASN C C 13 175.24 . . 1 . . . . 301 N CO . 26728 1 159 . 1 1 47 47 ASN CA C 13 53.257 . . 1 . . . . 301 N CA . 26728 1 160 . 1 1 47 47 ASN CB C 13 38.832 . . 1 . . . . 301 N CB . 26728 1 161 . 1 1 47 47 ASN N N 15 118.627 . . 1 . . . . 301 N N . 26728 1 162 . 1 1 48 48 ASN H H 1 8.599 . . 1 . . . . 302 N HN . 26728 1 163 . 1 1 48 48 ASN C C 13 175.371 . . 1 . . . . 302 N CO . 26728 1 164 . 1 1 48 48 ASN CA C 13 53.487 . . 1 . . . . 302 N CA . 26728 1 165 . 1 1 48 48 ASN CB C 13 38.709 . . 1 . . . . 302 N CB . 26728 1 166 . 1 1 48 48 ASN N N 15 119.245 . . 1 . . . . 302 N N . 26728 1 167 . 1 1 49 49 GLN H H 1 8.469 . . 1 . . . . 303 Q HN . 26728 1 168 . 1 1 49 49 GLN C C 13 176.57 . . 1 . . . . 303 Q CO . 26728 1 169 . 1 1 49 49 GLN CA C 13 56.35 . . 1 . . . . 303 Q CA . 26728 1 170 . 1 1 49 49 GLN CB C 13 29.301 . . 1 . . . . 303 Q CB . 26728 1 171 . 1 1 49 49 GLN N N 15 120.585 . . 1 . . . . 303 Q N . 26728 1 172 . 1 1 50 50 GLY H H 1 8.506 . . 1 . . . . 304 G HN . 26728 1 173 . 1 1 50 50 GLY C C 13 174.293 . . 1 . . . . 304 G CO . 26728 1 174 . 1 1 50 50 GLY CA C 13 45.322 . . 1 . . . . 304 G CA . 26728 1 175 . 1 1 50 50 GLY N N 15 109.526 . . 1 . . . . 304 G N . 26728 1 176 . 1 1 51 51 SER H H 1 8.314 . . 1 . . . . 305 S HN . 26728 1 177 . 1 1 51 51 SER C C 13 174.515 . . 1 . . . . 305 S CO . 26728 1 178 . 1 1 51 51 SER CA C 13 58.472 . . 1 . . . . 305 S CA . 26728 1 179 . 1 1 51 51 SER CB C 13 63.918 . . 1 . . . . 305 S CB . 26728 1 180 . 1 1 51 51 SER N N 15 115.579 . . 1 . . . . 305 S N . 26728 1 181 . 1 1 52 52 ASN H H 1 8.634 . . 1 . . . . 306 N HN . 26728 1 182 . 1 1 52 52 ASN C C 13 175.412 . . 1 . . . . 306 N CO . 26728 1 183 . 1 1 52 52 ASN CA C 13 53.308 . . 1 . . . . 306 N CA . 26728 1 184 . 1 1 52 52 ASN CB C 13 38.607 . . 1 . . . . 306 N CB . 26728 1 185 . 1 1 52 52 ASN N N 15 120.673 . . 1 . . . . 306 N N . 26728 1 186 . 1 1 53 53 MET H H 1 8.439 . . 1 . . . . 307 M HN . 26728 1 187 . 1 1 53 53 MET C C 13 176.94 . . 1 . . . . 307 M CO . 26728 1 188 . 1 1 53 53 MET CA C 13 56.383 . . 1 . . . . 307 M CA . 26728 1 189 . 1 1 53 53 MET CB C 13 30.588 . . 1 . . . . 307 M CB . 26728 1 190 . 1 1 53 53 MET N N 15 120.508 . . 1 . . . . 307 M N . 26728 1 191 . 1 1 54 54 GLY H H 1 8.461 . . 1 . . . . 308 G HN . 26728 1 192 . 1 1 54 54 GLY C C 13 174.746 . . 1 . . . . 308 G CO . 26728 1 193 . 1 1 54 54 GLY CA C 13 45.482 . . 1 . . . . 308 G CA . 26728 1 194 . 1 1 54 54 GLY N N 15 109.697 . . 1 . . . . 308 G N . 26728 1 195 . 1 1 55 55 GLY H H 1 8.361 . . 1 . . . . 309 G HN . 26728 1 196 . 1 1 55 55 GLY C C 13 174.747 . . 1 . . . . 309 G CO . 26728 1 197 . 1 1 55 55 GLY CA C 13 45.334 . . 1 . . . . 309 G CA . 26728 1 198 . 1 1 55 55 GLY N N 15 108.758 . . 1 . . . . 309 G N . 26728 1 199 . 1 1 56 56 GLY H H 1 8.407 . . 1 . . . . 310 G HN . 26728 1 200 . 1 1 56 56 GLY C C 13 174.177 . . 1 . . . . 310 G CO . 26728 1 201 . 1 1 56 56 GLY CA C 13 45.275 . . 1 . . . . 310 G CA . 26728 1 202 . 1 1 56 56 GLY N N 15 108.727 . . 1 . . . . 310 G N . 26728 1 203 . 1 1 57 57 MET H H 1 8.315 . . 1 . . . . 311 M HN . 26728 1 204 . 1 1 57 57 MET C C 13 175.748 . . 1 . . . . 311 M CO . 26728 1 205 . 1 1 57 57 MET CA C 13 55.43 . . 1 . . . . 311 M CA . 26728 1 206 . 1 1 57 57 MET CB C 13 32.74 . . 1 . . . . 311 M CB . 26728 1 207 . 1 1 57 57 MET N N 15 119.529 . . 1 . . . . 311 M N . 26728 1 208 . 1 1 58 58 ASN H H 1 8.459 . . 1 . . . . 312 N HN . 26728 1 209 . 1 1 58 58 ASN C C 13 174.884 . . 1 . . . . 312 N CO . 26728 1 210 . 1 1 58 58 ASN CA C 13 52.978 . . 1 . . . . 312 N CA . 26728 1 211 . 1 1 58 58 ASN CB C 13 38.801 . . 1 . . . . 312 N CB . 26728 1 212 . 1 1 58 58 ASN N N 15 119.621 . . 1 . . . . 312 N N . 26728 1 213 . 1 1 59 59 PHE H H 1 8.357 . . 1 . . . . 313 F HN . 26728 1 214 . 1 1 59 59 PHE C C 13 176.307 . . 1 . . . . 313 F CO . 26728 1 215 . 1 1 59 59 PHE CA C 13 58.241 . . 1 . . . . 313 F CA . 26728 1 216 . 1 1 59 59 PHE CB C 13 39.398 . . 1 . . . . 313 F CB . 26728 1 217 . 1 1 59 59 PHE N N 15 121.166 . . 1 . . . . 313 F N . 26728 1 218 . 1 1 60 60 GLY H H 1 8.413 . . 1 . . . . 314 G HN . 26728 1 219 . 1 1 60 60 GLY C C 13 173.945 . . 1 . . . . 314 G CO . 26728 1 220 . 1 1 60 60 GLY CA C 13 45.387 . . 1 . . . . 314 G CA . 26728 1 221 . 1 1 60 60 GLY N N 15 110.170 . . 1 . . . . 314 G N . 26728 1 222 . 1 1 61 61 ALA H H 1 8.131 . . 1 . . . . 315 A HN . 26728 1 223 . 1 1 61 61 ALA C C 13 177.474 . . 1 . . . . 315 A CO . 26728 1 224 . 1 1 61 61 ALA CA C 13 52.667 . . 1 . . . . 315 A CA . 26728 1 225 . 1 1 61 61 ALA CB C 13 19.141 . . 1 . . . . 315 A CB . 26728 1 226 . 1 1 61 61 ALA N N 15 123.730 . . 1 . . . . 315 A N . 26728 1 227 . 1 1 62 62 PHE H H 1 8.188 . . 1 . . . . 316 F HN . 26728 1 228 . 1 1 62 62 PHE C C 13 175.615 . . 1 . . . . 316 F CO . 26728 1 229 . 1 1 62 62 PHE CA C 13 57.588 . . 1 . . . . 316 F CA . 26728 1 230 . 1 1 62 62 PHE CB C 13 39.575 . . 1 . . . . 316 F CB . 26728 1 231 . 1 1 62 62 PHE N N 15 118.498 . . 1 . . . . 316 F N . 26728 1 232 . 1 1 63 63 SER H H 1 8.145 . . 1 . . . . 317 S HN . 26728 1 233 . 1 1 63 63 SER C C 13 173.985 . . 1 . . . . 317 S CO . 26728 1 234 . 1 1 63 63 SER CA C 13 58.245 . . 1 . . . . 317 S CA . 26728 1 235 . 1 1 63 63 SER CB C 13 64.007 . . 1 . . . . 317 S CB . 26728 1 236 . 1 1 63 63 SER N N 15 117.027 . . 1 . . . . 317 S N . 26728 1 237 . 1 1 64 64 ILE H H 1 8.175 . . 1 . . . . 318 I HN . 26728 1 238 . 1 1 64 64 ILE C C 13 175.378 . . 1 . . . . 318 I CO . 26728 1 239 . 1 1 64 64 ILE CA C 13 60.938 . . 1 . . . . 318 I CA . 26728 1 240 . 1 1 64 64 ILE CB C 13 39.002 . . 1 . . . . 318 I CB . 26728 1 241 . 1 1 64 64 ILE N N 15 121.858 . . 1 . . . . 318 I N . 26728 1 242 . 1 1 65 65 ASN H H 1 8.418 . . 1 . . . . 319 N HN . 26728 1 243 . 1 1 65 65 ASN N N 15 123.852 . . 1 . . . . 319 N N . 26728 1 244 . 1 1 66 66 PRO C C 13 177.846 . . 1 . . . . 320 P CO . 26728 1 245 . 1 1 66 66 PRO CA C 13 64.702 . . 1 . . . . 320 P CA . 26728 1 246 . 1 1 67 67 ALA H H 1 8.243 . . 1 . . . . 321 A HN . 26728 1 247 . 1 1 67 67 ALA C C 13 179.387 . . 1 . . . . 321 A CO . 26728 1 248 . 1 1 67 67 ALA CA C 13 53.921 . . 1 . . . . 321 A CA . 26728 1 249 . 1 1 67 67 ALA CB C 13 18.525 . . 1 . . . . 321 A CB . 26728 1 250 . 1 1 67 67 ALA N N 15 121.612 . . 1 . . . . 321 A N . 26728 1 251 . 1 1 68 68 MET H H 1 8.081 . . 1 . . . . 322 M HN . 26728 1 252 . 1 1 68 68 MET C C 13 177.526 . . 1 . . . . 322 M CO . 26728 1 253 . 1 1 68 68 MET CA C 13 56.516 . . 1 . . . . 322 M CA . 26728 1 254 . 1 1 68 68 MET CB C 13 32.7 . . 1 . . . . 322 M CB . 26728 1 255 . 1 1 68 68 MET N N 15 118.560 . . 1 . . . . 322 M N . 26728 1 256 . 1 1 69 69 MET H H 1 8.113 . . 1 . . . . 323 M HN . 26728 1 257 . 1 1 69 69 MET C C 13 177.055 . . 1 . . . . 323 M CO . 26728 1 258 . 1 1 69 69 MET CA C 13 56.81 . . 1 . . . . 323 M CA . 26728 1 259 . 1 1 69 69 MET N N 15 120.718 . . 1 . . . . 323 M N . 26728 1 260 . 1 1 70 70 ALA H H 1 8.309 . . 1 . . . . 324 A HN . 26728 1 261 . 1 1 70 70 ALA C C 13 179.203 . . 1 . . . . 324 A CO . 26728 1 262 . 1 1 70 70 ALA CA C 13 53.895 . . 1 . . . . 324 A CA . 26728 1 263 . 1 1 70 70 ALA CB C 13 18.524 . . 1 . . . . 324 A CB . 26728 1 264 . 1 1 70 70 ALA N N 15 123.699 . . 1 . . . . 324 A N . 26728 1 265 . 1 1 71 71 ALA H H 1 8.196 . . 1 . . . . 325 A HN . 26728 1 266 . 1 1 71 71 ALA C C 13 179.165 . . 1 . . . . 325 A CO . 26728 1 267 . 1 1 71 71 ALA CA C 13 53.813 . . 1 . . . . 325 A CA . 26728 1 268 . 1 1 71 71 ALA CB C 13 18.582 . . 1 . . . . 325 A CB . 26728 1 269 . 1 1 71 71 ALA N N 15 122.353 . . 1 . . . . 325 A N . 26728 1 270 . 1 1 72 72 ALA H H 1 8.174 . . 1 . . . . 326 A HN . 26728 1 271 . 1 1 72 72 ALA C C 13 179.217 . . 1 . . . . 326 A CO . 26728 1 272 . 1 1 72 72 ALA CA C 13 53.812 . . 1 . . . . 326 A CA . 26728 1 273 . 1 1 72 72 ALA CB C 13 18.683 . . 1 . . . . 326 A CB . 26728 1 274 . 1 1 72 72 ALA N N 15 122.235 . . 1 . . . . 326 A N . 26728 1 275 . 1 1 73 73 GLN H H 1 8.173 . . 1 . . . . 327 Q HN . 26728 1 276 . 1 1 73 73 GLN C C 13 177.24 . . 1 . . . . 327 Q CO . 26728 1 277 . 1 1 73 73 GLN CA C 13 57.378 . . 1 . . . . 327 Q CA . 26728 1 278 . 1 1 73 73 GLN CB C 13 28.866 . . 1 . . . . 327 Q CB . 26728 1 279 . 1 1 73 73 GLN N N 15 118.454 . . 1 . . . . 327 Q N . 26728 1 280 . 1 1 74 74 ALA H H 1 8.175 . . 1 . . . . 328 A HN . 26728 1 281 . 1 1 74 74 ALA C C 13 178.859 . . 1 . . . . 328 A CO . 26728 1 282 . 1 1 74 74 ALA CA C 13 53.745 . . 1 . . . . 328 A CA . 26728 1 283 . 1 1 74 74 ALA CB C 13 18.488 . . 1 . . . . 328 A CB . 26728 1 284 . 1 1 74 74 ALA N N 15 123.326 . . 1 . . . . 328 A N . 26728 1 285 . 1 1 75 75 ALA H H 1 8.029 . . 1 . . . . 329 A HN . 26728 1 286 . 1 1 75 75 ALA C C 13 178.785 . . 1 . . . . 329 A CO . 26728 1 287 . 1 1 75 75 ALA CA C 13 53.387 . . 1 . . . . 329 A CA . 26728 1 288 . 1 1 75 75 ALA CB C 13 18.609 . . 1 . . . . 329 A CB . 26728 1 289 . 1 1 75 75 ALA N N 15 121.430 . . 1 . . . . 329 A N . 26728 1 290 . 1 1 76 76 LEU H H 1 7.948 . . 1 . . . . 330 L HN . 26728 1 291 . 1 1 76 76 LEU C C 13 178.1 . . 1 . . . . 330 L CO . 26728 1 292 . 1 1 76 76 LEU CA C 13 56.026 . . 1 . . . . 330 L CA . 26728 1 293 . 1 1 76 76 LEU CB C 13 42.09 . . 1 . . . . 330 L CB . 26728 1 294 . 1 1 76 76 LEU N N 15 120.147 . . 1 . . . . 330 L N . 26728 1 295 . 1 1 77 77 GLN H H 1 8.166 . . 1 . . . . 331 Q HN . 26728 1 296 . 1 1 77 77 GLN C C 13 176.806 . . 1 . . . . 331 Q CO . 26728 1 297 . 1 1 77 77 GLN CA C 13 56.665 . . 1 . . . . 331 Q CA . 26728 1 298 . 1 1 77 77 GLN CB C 13 28.925 . . 1 . . . . 331 Q CB . 26728 1 299 . 1 1 77 77 GLN N N 15 119.407 . . 1 . . . . 331 Q N . 26728 1 300 . 1 1 78 78 SER H H 1 8.245 . . 1 . . . . 332 S HN . 26728 1 301 . 1 1 78 78 SER C C 13 175.12 . . 1 . . . . 332 S CO . 26728 1 302 . 1 1 78 78 SER CA C 13 59.145 . . 1 . . . . 332 S CA . 26728 1 303 . 1 1 78 78 SER CB C 13 63.636 . . 1 . . . . 332 S CB . 26728 1 304 . 1 1 78 78 SER N N 15 115.801 . . 1 . . . . 332 S N . 26728 1 305 . 1 1 79 79 SER H H 1 8.233 . . 1 . . . . 333 S HN . 26728 1 306 . 1 1 79 79 SER C C 13 174.812 . . 1 . . . . 333 S CO . 26728 1 307 . 1 1 79 79 SER CA C 13 59.088 . . 1 . . . . 333 S CA . 26728 1 308 . 1 1 79 79 SER CB C 13 63.588 . . 1 . . . . 333 S CB . 26728 1 309 . 1 1 79 79 SER N N 15 117.443 . . 1 . . . . 333 S N . 26728 1 310 . 1 1 80 80 TRP H H 1 8.145 . . 1 . . . . 334 W HN . 26728 1 311 . 1 1 80 80 TRP C C 13 177.335 . . 1 . . . . 334 W CO . 26728 1 312 . 1 1 80 80 TRP CA C 13 57.97 . . 1 . . . . 334 W CA . 26728 1 313 . 1 1 80 80 TRP CB C 13 29.501 . . 1 . . . . 334 W CB . 26728 1 314 . 1 1 80 80 TRP N N 15 122.664 . . 1 . . . . 334 W N . 26728 1 315 . 1 1 81 81 GLY H H 1 8.288 . . 1 . . . . 335 G HN . 26728 1 316 . 1 1 81 81 GLY C C 13 174.625 . . 1 . . . . 335 G CO . 26728 1 317 . 1 1 81 81 GLY CA C 13 45.677 . . 1 . . . . 335 G CA . 26728 1 318 . 1 1 81 81 GLY N N 15 109.500 . . 1 . . . . 335 G N . 26728 1 319 . 1 1 82 82 MET H H 1 8.161 . . 1 . . . . 336 M HN . 26728 1 320 . 1 1 82 82 MET C C 13 176.858 . . 1 . . . . 336 M CO . 26728 1 321 . 1 1 82 82 MET CA C 13 55.974 . . 1 . . . . 336 M CA . 26728 1 322 . 1 1 82 82 MET CB C 13 32.568 . . 1 . . . . 336 M CB . 26728 1 323 . 1 1 82 82 MET N N 15 119.723 . . 1 . . . . 336 M N . 26728 1 324 . 1 1 83 83 MET H H 1 8.396 . . 1 . . . . 337 M HN . 26728 1 325 . 1 1 83 83 MET C C 13 177.11 . . 1 . . . . 337 M CO . 26728 1 326 . 1 1 83 83 MET CA C 13 56.163 . . 1 . . . . 337 M CA . 26728 1 327 . 1 1 83 83 MET CB C 13 32.347 . . 1 . . . . 337 M CB . 26728 1 328 . 1 1 83 83 MET N N 15 119.947 . . 1 . . . . 337 M N . 26728 1 329 . 1 1 84 84 GLY H H 1 8.372 . . 1 . . . . 338 G HN . 26728 1 330 . 1 1 84 84 GLY C C 13 174.448 . . 1 . . . . 338 G CO . 26728 1 331 . 1 1 84 84 GLY CA C 13 45.615 . . 1 . . . . 338 G CA . 26728 1 332 . 1 1 84 84 GLY N N 15 109.290 . . 1 . . . . 338 G N . 26728 1 333 . 1 1 85 85 MET H H 1 8.166 . . 1 . . . . 339 M HN . 26728 1 334 . 1 1 85 85 MET C C 13 176.682 . . 1 . . . . 339 M CO . 26728 1 335 . 1 1 85 85 MET CA C 13 55.986 . . 1 . . . . 339 M CA . 26728 1 336 . 1 1 85 85 MET CB C 13 32.822 . . 1 . . . . 339 M CB . 26728 1 337 . 1 1 85 85 MET N N 15 119.882 . . 1 . . . . 339 M N . 26728 1 338 . 1 1 86 86 LEU H H 1 8.304 . . 1 . . . . 340 L HN . 26728 1 339 . 1 1 86 86 LEU C C 13 177.702 . . 1 . . . . 340 L CO . 26728 1 340 . 1 1 86 86 LEU CA C 13 55.473 . . 1 . . . . 340 L CA . 26728 1 341 . 1 1 86 86 LEU CB C 13 42.255 . . 1 . . . . 340 L CB . 26728 1 342 . 1 1 86 86 LEU N N 15 122.621 . . 1 . . . . 340 L N . 26728 1 343 . 1 1 87 87 ALA H H 1 8.352 . . 1 . . . . 341 A HN . 26728 1 344 . 1 1 87 87 ALA C C 13 178.264 . . 1 . . . . 341 A CO . 26728 1 345 . 1 1 87 87 ALA CA C 13 53.21 . . 1 . . . . 341 A CA . 26728 1 346 . 1 1 87 87 ALA CB C 13 18.969 . . 1 . . . . 341 A CB . 26728 1 347 . 1 1 87 87 ALA N N 15 124.406 . . 1 . . . . 341 A N . 26728 1 348 . 1 1 88 88 SER H H 1 8.225 . . 1 . . . . 342 S HN . 26728 1 349 . 1 1 88 88 SER C C 13 174.987 . . 1 . . . . 342 S CO . 26728 1 350 . 1 1 88 88 SER CA C 13 58.837 . . 1 . . . . 342 S CA . 26728 1 351 . 1 1 88 88 SER CB C 13 63.618 . . 1 . . . . 342 S CB . 26728 1 352 . 1 1 88 88 SER N N 15 114.059 . . 1 . . . . 342 S N . 26728 1 353 . 1 1 89 89 GLN H H 1 8.315 . . 1 . . . . 343 Q HN . 26728 1 354 . 1 1 89 89 GLN C C 13 176.212 . . 1 . . . . 343 Q CO . 26728 1 355 . 1 1 89 89 GLN CA C 13 56.172 . . 1 . . . . 343 Q CA . 26728 1 356 . 1 1 89 89 GLN CB C 13 29.297 . . 1 . . . . 343 Q CB . 26728 1 357 . 1 1 89 89 GLN N N 15 121.634 . . 1 . . . . 343 Q N . 26728 1 358 . 1 1 90 90 GLN H H 1 8.341 . . 1 . . . . 344 Q HN . 26728 1 359 . 1 1 90 90 GLN C C 13 175.859 . . 1 . . . . 344 Q CO . 26728 1 360 . 1 1 90 90 GLN CA C 13 56.171 . . 1 . . . . 344 Q CA . 26728 1 361 . 1 1 90 90 GLN CB C 13 29.34 . . 1 . . . . 344 Q CB . 26728 1 362 . 1 1 90 90 GLN N N 15 120.538 . . 1 . . . . 344 Q N . 26728 1 363 . 1 1 91 91 ASN H H 1 8.541 . . 1 . . . . 345 N HN . 26728 1 364 . 1 1 91 91 ASN C C 13 175.325 . . 1 . . . . 345 N CO . 26728 1 365 . 1 1 91 91 ASN CA C 13 56.62 . . 1 . . . . 345 N CA . 26728 1 366 . 1 1 91 91 ASN N N 15 119.532 . . 1 . . . . 345 N N . 26728 1 367 . 1 1 92 92 GLN H H 1 8.492 . . 1 . . . . 346 Q HN . 26728 1 368 . 1 1 92 92 GLN C C 13 175.997 . . 1 . . . . 346 Q CO . 26728 1 369 . 1 1 92 92 GLN CA C 13 56.012 . . 1 . . . . 346 Q CA . 26728 1 370 . 1 1 92 92 GLN CB C 13 29.434 . . 1 . . . . 346 Q CB . 26728 1 371 . 1 1 92 92 GLN N N 15 120.915 . . 1 . . . . 346 Q N . 26728 1 372 . 1 1 93 93 SER H H 1 8.469 . . 1 . . . . 347 S HN . 26728 1 373 . 1 1 93 93 SER C C 13 174.579 . . 1 . . . . 347 S CO . 26728 1 374 . 1 1 93 93 SER CA C 13 58.481 . . 1 . . . . 347 S CA . 26728 1 375 . 1 1 93 93 SER CB C 13 64.047 . . 1 . . . . 347 S CB . 26728 1 376 . 1 1 93 93 SER N N 15 116.886 . . 1 . . . . 347 S N . 26728 1 377 . 1 1 94 94 GLY H H 1 8.318 . . 1 . . . . 348 G HN . 26728 1 378 . 1 1 94 94 GLY N N 15 110.620 . . 1 . . . . 348 G N . 26728 1 379 . 1 1 95 95 PRO C C 13 177.457 . . 1 . . . . 349 P CO . 26728 1 380 . 1 1 95 95 PRO CA C 13 63.444 . . 1 . . . . 349 P CA . 26728 1 381 . 1 1 95 95 PRO CB C 13 32.166 . . 1 . . . . 349 P CB . 26728 1 382 . 1 1 96 96 SER H H 1 8.604 . . 1 . . . . 350 S HN . 26728 1 383 . 1 1 96 96 SER C C 13 175.182 . . 1 . . . . 350 S CO . 26728 1 384 . 1 1 96 96 SER CA C 13 58.628 . . 1 . . . . 350 S CA . 26728 1 385 . 1 1 96 96 SER CB C 13 63.937 . . 1 . . . . 350 S CB . 26728 1 386 . 1 1 96 96 SER N N 15 116.206 . . 1 . . . . 350 S N . 26728 1 387 . 1 1 97 97 GLY H H 1 8.451 . . 1 . . . . 351 G HN . 26728 1 388 . 1 1 97 97 GLY C C 13 173.97 . . 1 . . . . 351 G CO . 26728 1 389 . 1 1 97 97 GLY CA C 13 45.382 . . 1 . . . . 351 G CA . 26728 1 390 . 1 1 97 97 GLY N N 15 110.591 . . 1 . . . . 351 G N . 26728 1 391 . 1 1 98 98 ASN H H 1 8.410 . . 1 . . . . 352 N HN . 26728 1 392 . 1 1 98 98 ASN C C 13 175.229 . . 1 . . . . 352 N CO . 26728 1 393 . 1 1 98 98 ASN CA C 13 53.266 . . 1 . . . . 352 N CA . 26728 1 394 . 1 1 98 98 ASN CB C 13 38.849 . . 1 . . . . 352 N CB . 26728 1 395 . 1 1 98 98 ASN N N 15 118.627 . . 1 . . . . 352 N N . 26728 1 396 . 1 1 99 99 ASN H H 1 8.571 . . 1 . . . . 353 N HN . 26728 1 397 . 1 1 99 99 ASN C C 13 175.44 . . 1 . . . . 353 N CO . 26728 1 398 . 1 1 99 99 ASN CA C 13 53.525 . . 1 . . . . 353 N CA . 26728 1 399 . 1 1 99 99 ASN CB C 13 38.645 . . 1 . . . . 353 N CB . 26728 1 400 . 1 1 99 99 ASN N N 15 119.315 . . 1 . . . . 353 N N . 26728 1 401 . 1 1 100 100 GLN H H 1 8.492 . . 1 . . . . 354 Q HN . 26728 1 402 . 1 1 100 100 GLN C C 13 175.938 . . 1 . . . . 354 Q CO . 26728 1 403 . 1 1 100 100 GLN CA C 13 56.279 . . 1 . . . . 354 Q CA . 26728 1 404 . 1 1 100 100 GLN CB C 13 29.166 . . 1 . . . . 354 Q CB . 26728 1 405 . 1 1 100 100 GLN N N 15 120.213 . . 1 . . . . 354 Q N . 26728 1 406 . 1 1 101 101 ASN H H 1 8.557 . . 1 . . . . 355 N HN . 26728 1 407 . 1 1 101 101 ASN C C 13 175.384 . . 1 . . . . 355 N CO . 26728 1 408 . 1 1 101 101 ASN CA C 13 53.493 . . 1 . . . . 355 N CA . 26728 1 409 . 1 1 101 101 ASN CB C 13 38.638 . . 1 . . . . 355 N CB . 26728 1 410 . 1 1 101 101 ASN N N 15 119.247 . . 1 . . . . 355 N N . 26728 1 411 . 1 1 102 102 GLN H H 1 8.477 . . 1 . . . . 356 Q HN . 26728 1 412 . 1 1 102 102 GLN C C 13 176.573 . . 1 . . . . 356 Q CO . 26728 1 413 . 1 1 102 102 GLN CA C 13 56.33 . . 1 . . . . 356 Q CA . 26728 1 414 . 1 1 102 102 GLN CB C 13 29.281 . . 1 . . . . 356 Q CB . 26728 1 415 . 1 1 102 102 GLN N N 15 120.317 . . 1 . . . . 356 Q N . 26728 1 416 . 1 1 103 103 GLY H H 1 8.527 . . 1 . . . . 357 G HN . 26728 1 417 . 1 1 103 103 GLY C C 13 173.967 . . 1 . . . . 357 G CO . 26728 1 418 . 1 1 103 103 GLY CA C 13 45.509 . . 1 . . . . 357 G CA . 26728 1 419 . 1 1 103 103 GLY N N 15 109.463 . . 1 . . . . 357 G N . 26728 1 420 . 1 1 104 104 ASN H H 1 8.388 . . 1 . . . . 358 N HN . 26728 1 421 . 1 1 104 104 ASN C C 13 175.465 . . 1 . . . . 358 N CO . 26728 1 422 . 1 1 104 104 ASN CA C 13 53.307 . . 1 . . . . 358 N CA . 26728 1 423 . 1 1 104 104 ASN CB C 13 38.811 . . 1 . . . . 358 N CB . 26728 1 424 . 1 1 104 104 ASN N N 15 118.631 . . 1 . . . . 358 N N . 26728 1 425 . 1 1 105 105 MET H H 1 8.421 . . 1 . . . . 359 M HN . 26728 1 426 . 1 1 105 105 MET C C 13 176.212 . . 1 . . . . 359 M CO . 26728 1 427 . 1 1 105 105 MET CA C 13 55.605 . . 1 . . . . 359 M CA . 26728 1 428 . 1 1 105 105 MET CB C 13 32.684 . . 1 . . . . 359 M CB . 26728 1 429 . 1 1 105 105 MET N N 15 120.613 . . 1 . . . . 359 M N . 26728 1 430 . 1 1 106 106 GLN H H 1 8.466 . . 1 . . . . 360 Q HN . 26728 1 431 . 1 1 106 106 GLN C C 13 175.744 . . 1 . . . . 360 Q CO . 26728 1 432 . 1 1 106 106 GLN CA C 13 55.956 . . 1 . . . . 360 Q CA . 26728 1 433 . 1 1 106 106 GLN CB C 13 29.291 . . 1 . . . . 360 Q CB . 26728 1 434 . 1 1 106 106 GLN N N 15 121.510 . . 1 . . . . 360 Q N . 26728 1 435 . 1 1 107 107 ARG H H 1 8.443 . . 1 . . . . 361 R HN . 26728 1 436 . 1 1 107 107 ARG C C 13 176.058 . . 1 . . . . 361 R CO . 26728 1 437 . 1 1 107 107 ARG CA C 13 55.965 . . 1 . . . . 361 R CA . 26728 1 438 . 1 1 107 107 ARG CB C 13 31.162 . . 1 . . . . 361 R CB . 26728 1 439 . 1 1 107 107 ARG N N 15 122.742 . . 1 . . . . 361 R N . 26728 1 440 . 1 1 108 108 GLU H H 1 8.572 . . 1 . . . . 362 E HN . 26728 1 441 . 1 1 108 108 GLU N N 15 123.500 . . 1 . . . . 362 E N . 26728 1 442 . 1 1 109 109 PRO C C 13 176.77 . . 1 . . . . 363 P CO . 26728 1 443 . 1 1 109 109 PRO CA C 13 63.443 . . 1 . . . . 363 P CA . 26728 1 444 . 1 1 109 109 PRO CB C 13 32.133 . . 1 . . . . 363 P CB . 26728 1 445 . 1 1 110 110 ASN H H 1 8.636 . . 1 . . . . 364 N HN . 26728 1 446 . 1 1 110 110 ASN C C 13 175.339 . . 1 . . . . 364 N CO . 26728 1 447 . 1 1 110 110 ASN CA C 13 53.484 . . 1 . . . . 364 N CA . 26728 1 448 . 1 1 110 110 ASN CB C 13 38.592 . . 1 . . . . 364 N CB . 26728 1 449 . 1 1 110 110 ASN N N 15 118.318 . . 1 . . . . 364 N N . 26728 1 450 . 1 1 111 111 GLN H H 1 8.366 . . 1 . . . . 365 Q HN . 26728 1 451 . 1 1 111 111 GLN C C 13 175.6 . . 1 . . . . 365 Q CO . 26728 1 452 . 1 1 111 111 GLN CA C 13 55.889 . . 1 . . . . 365 Q CA . 26728 1 453 . 1 1 111 111 GLN CB C 13 29.495 . . 1 . . . . 365 Q CB . 26728 1 454 . 1 1 111 111 GLN N N 15 120.939 . . 1 . . . . 365 Q N . 26728 1 455 . 1 1 112 112 ALA H H 1 8.369 . . 1 . . . . 366 A HN . 26728 1 456 . 1 1 112 112 ALA C C 13 177.519 . . 1 . . . . 366 A CO . 26728 1 457 . 1 1 112 112 ALA CA C 13 52.552 . . 1 . . . . 366 A CA . 26728 1 458 . 1 1 112 112 ALA CB C 13 19.148 . . 1 . . . . 366 A CB . 26728 1 459 . 1 1 112 112 ALA N N 15 125.054 . . 1 . . . . 366 A N . 26728 1 460 . 1 1 113 113 PHE H H 1 8.308 . . 1 . . . . 367 F HN . 26728 1 461 . 1 1 113 113 PHE C C 13 176.514 . . 1 . . . . 367 F CO . 26728 1 462 . 1 1 113 113 PHE CA C 13 57.997 . . 1 . . . . 367 F CA . 26728 1 463 . 1 1 113 113 PHE CB C 13 39.588 . . 1 . . . . 367 F CB . 26728 1 464 . 1 1 113 113 PHE N N 15 119.716 . . 1 . . . . 367 F N . 26728 1 465 . 1 1 114 114 GLY H H 1 8.392 . . 1 . . . . 368 G HN . 26728 1 466 . 1 1 114 114 GLY C C 13 174.192 . . 1 . . . . 368 G CO . 26728 1 467 . 1 1 114 114 GLY CA C 13 45.316 . . 1 . . . . 368 G CA . 26728 1 468 . 1 1 114 114 GLY N N 15 110.997 . . 1 . . . . 368 G N . 26728 1 469 . 1 1 115 115 SER H H 1 8.342 . . 1 . . . . 369 S HN . 26728 1 470 . 1 1 115 115 SER C C 13 175.171 . . 1 . . . . 369 S CO . 26728 1 471 . 1 1 115 115 SER CA C 13 58.621 . . 1 . . . . 369 S CA . 26728 1 472 . 1 1 115 115 SER CB C 13 63.977 . . 1 . . . . 369 S CB . 26728 1 473 . 1 1 115 115 SER N N 15 115.707 . . 1 . . . . 369 S N . 26728 1 474 . 1 1 116 116 GLY H H 1 8.593 . . 1 . . . . 370 G HN . 26728 1 475 . 1 1 116 116 GLY C C 13 173.95 . . 1 . . . . 370 G CO . 26728 1 476 . 1 1 116 116 GLY CA C 13 45.483 . . 1 . . . . 370 G CA . 26728 1 477 . 1 1 116 116 GLY N N 15 110.840 . . 1 . . . . 370 G N . 26728 1 478 . 1 1 117 117 ASN H H 1 8.392 . . 1 . . . . 371 N HN . 26728 1 479 . 1 1 117 117 ASN C C 13 175.108 . . 1 . . . . 371 N CO . 26728 1 480 . 1 1 117 117 ASN CA C 13 53.292 . . 1 . . . . 371 N CA . 26728 1 481 . 1 1 117 117 ASN CB C 13 38.839 . . 1 . . . . 371 N CB . 26728 1 482 . 1 1 117 117 ASN N N 15 118.746 . . 1 . . . . 371 N N . 26728 1 483 . 1 1 118 118 ASN H H 1 8.542 . . 1 . . . . 372 N HN . 26728 1 484 . 1 1 118 118 ASN C C 13 175.245 . . 1 . . . . 372 N CO . 26728 1 485 . 1 1 118 118 ASN CA C 13 53.326 . . 1 . . . . 372 N CA . 26728 1 486 . 1 1 118 118 ASN CB C 13 38.864 . . 1 . . . . 372 N CB . 26728 1 487 . 1 1 118 118 ASN N N 15 119.442 . . 1 . . . . 372 N N . 26728 1 488 . 1 1 119 119 SER H H 1 8.319 . . 1 . . . . 373 S HN . 26728 1 489 . 1 1 119 119 SER C C 13 174.218 . . 1 . . . . 373 S CO . 26728 1 490 . 1 1 119 119 SER CA C 13 58.662 . . 1 . . . . 373 S CA . 26728 1 491 . 1 1 119 119 SER CB C 13 63.786 . . 1 . . . . 373 S CB . 26728 1 492 . 1 1 119 119 SER N N 15 115.921 . . 1 . . . . 373 S N . 26728 1 493 . 1 1 120 120 TYR H H 1 8.319 . . 1 . . . . 374 Y HN . 26728 1 494 . 1 1 120 120 TYR C C 13 175.983 . . 1 . . . . 374 Y CO . 26728 1 495 . 1 1 120 120 TYR CA C 13 58.08 . . 1 . . . . 374 Y CA . 26728 1 496 . 1 1 120 120 TYR CB C 13 38.699 . . 1 . . . . 374 Y CB . 26728 1 497 . 1 1 120 120 TYR N N 15 122.245 . . 1 . . . . 374 Y N . 26728 1 498 . 1 1 121 121 SER H H 1 8.340 . . 1 . . . . 375 S HN . 26728 1 499 . 1 1 121 121 SER C C 13 174.808 . . 1 . . . . 375 S CO . 26728 1 500 . 1 1 121 121 SER CA C 13 58.368 . . 1 . . . . 375 S CA . 26728 1 501 . 1 1 121 121 SER CB C 13 63.877 . . 1 . . . . 375 S CB . 26728 1 502 . 1 1 121 121 SER N N 15 118.199 . . 1 . . . . 375 S N . 26728 1 503 . 1 1 122 122 GLY H H 1 7.929 . . 1 . . . . 376 G HN . 26728 1 504 . 1 1 122 122 GLY C C 13 174.148 . . 1 . . . . 376 G CO . 26728 1 505 . 1 1 122 122 GLY CA C 13 45.337 . . 1 . . . . 376 G CA . 26728 1 506 . 1 1 122 122 GLY N N 15 110.558 . . 1 . . . . 376 G N . 26728 1 507 . 1 1 123 123 SER H H 1 8.313 . . 1 . . . . 377 S HN . 26728 1 508 . 1 1 123 123 SER C C 13 174.549 . . 1 . . . . 377 S CO . 26728 1 509 . 1 1 123 123 SER CA C 13 58.47 . . 1 . . . . 377 S CA . 26728 1 510 . 1 1 123 123 SER CB C 13 63.814 . . 1 . . . . 377 S CB . 26728 1 511 . 1 1 123 123 SER N N 15 115.482 . . 1 . . . . 377 S N . 26728 1 512 . 1 1 124 124 ASN H H 1 8.621 . . 1 . . . . 378 N HN . 26728 1 513 . 1 1 124 124 ASN C C 13 175.427 . . 1 . . . . 378 N CO . 26728 1 514 . 1 1 124 124 ASN CA C 13 53.299 . . 1 . . . . 378 N CA . 26728 1 515 . 1 1 124 124 ASN CB C 13 38.81 . . 1 . . . . 378 N CB . 26728 1 516 . 1 1 124 124 ASN N N 15 120.998 . . 1 . . . . 378 N N . 26728 1 517 . 1 1 125 125 SER H H 1 8.391 . . 1 . . . . 379 S HN . 26728 1 518 . 1 1 125 125 SER C C 13 175.117 . . 1 . . . . 379 S CO . 26728 1 519 . 1 1 125 125 SER CA C 13 58.858 . . 1 . . . . 379 S CA . 26728 1 520 . 1 1 125 125 SER CB C 13 63.805 . . 1 . . . . 379 S CB . 26728 1 521 . 1 1 125 125 SER N N 15 116.273 . . 1 . . . . 379 S N . 26728 1 522 . 1 1 126 126 GLY H H 1 8.485 . . 1 . . . . 380 G HN . 26728 1 523 . 1 1 126 126 GLY C C 13 173.862 . . 1 . . . . 380 G CO . 26728 1 524 . 1 1 126 126 GLY CA C 13 45.316 . . 1 . . . . 380 G CA . 26728 1 525 . 1 1 126 126 GLY N N 15 110.948 . . 1 . . . . 380 G N . 26728 1 526 . 1 1 127 127 ALA H H 1 8.082 . . 1 . . . . 381 A HN . 26728 1 527 . 1 1 127 127 ALA C C 13 177.475 . . 1 . . . . 381 A CO . 26728 1 528 . 1 1 127 127 ALA CA C 13 52.426 . . 1 . . . . 381 A CA . 26728 1 529 . 1 1 127 127 ALA CB C 13 19.369 . . 1 . . . . 381 A CB . 26728 1 530 . 1 1 127 127 ALA N N 15 123.629 . . 1 . . . . 381 A N . 26728 1 531 . 1 1 128 128 ALA H H 1 8.277 . . 1 . . . . 382 A HN . 26728 1 532 . 1 1 128 128 ALA C C 13 177.751 . . 1 . . . . 382 A CO . 26728 1 533 . 1 1 128 128 ALA CA C 13 52.424 . . 1 . . . . 382 A CA . 26728 1 534 . 1 1 128 128 ALA CB C 13 19.02 . . 1 . . . . 382 A CB . 26728 1 535 . 1 1 128 128 ALA N N 15 123.312 . . 1 . . . . 382 A N . 26728 1 536 . 1 1 129 129 ILE H H 1 8.125 . . 1 . . . . 383 I HN . 26728 1 537 . 1 1 129 129 ILE C C 13 176.805 . . 1 . . . . 383 I CO . 26728 1 538 . 1 1 129 129 ILE CA C 13 61.316 . . 1 . . . . 383 I CA . 26728 1 539 . 1 1 129 129 ILE CB C 13 38.713 . . 1 . . . . 383 I CB . 26728 1 540 . 1 1 129 129 ILE N N 15 119.976 . . 1 . . . . 383 I N . 26728 1 541 . 1 1 130 130 GLY H H 1 8.417 . . 1 . . . . 384 G HN . 26728 1 542 . 1 1 130 130 GLY C C 13 173.942 . . 1 . . . . 384 G CO . 26728 1 543 . 1 1 130 130 GLY CA C 13 45.218 . . 1 . . . . 384 G CA . 26728 1 544 . 1 1 130 130 GLY N N 15 112.638 . . 1 . . . . 384 G N . 26728 1 545 . 1 1 131 131 TRP H H 1 8.174 . . 1 . . . . 385 W HN . 26728 1 546 . 1 1 131 131 TRP C C 13 176.89 . . 1 . . . . 385 W CO . 26728 1 547 . 1 1 131 131 TRP N N 15 121.398 . . 1 . . . . 385 W N . 26728 1 548 . 1 1 132 132 GLY H H 1 8.384 . . 1 . . . . 386 G HN . 26728 1 549 . 1 1 132 132 GLY C C 13 174.16 . . 1 . . . . 386 G CO . 26728 1 550 . 1 1 132 132 GLY CA C 13 45.349 . . 1 . . . . 386 G CA . 26728 1 551 . 1 1 132 132 GLY N N 15 110.974 . . 1 . . . . 386 G N . 26728 1 552 . 1 1 133 133 SER H H 1 8.216 . . 1 . . . . 387 S HN . 26728 1 553 . 1 1 133 133 SER C C 13 174.559 . . 1 . . . . 387 S CO . 26728 1 554 . 1 1 133 133 SER CA C 13 58.426 . . 1 . . . . 387 S CA . 26728 1 555 . 1 1 133 133 SER CB C 13 63.999 . . 1 . . . . 387 S CB . 26728 1 556 . 1 1 133 133 SER N N 15 115.805 . . 1 . . . . 387 S N . 26728 1 557 . 1 1 134 134 ALA H H 1 8.498 . . 1 . . . . 388 A HN . 26728 1 558 . 1 1 134 134 ALA C C 13 177.958 . . 1 . . . . 388 A CO . 26728 1 559 . 1 1 134 134 ALA CA C 13 52.784 . . 1 . . . . 388 A CA . 26728 1 560 . 1 1 134 134 ALA CB C 13 19.156 . . 1 . . . . 388 A CB . 26728 1 561 . 1 1 134 134 ALA N N 15 125.904 . . 1 . . . . 388 A N . 26728 1 562 . 1 1 135 135 SER H H 1 8.323 . . 1 . . . . 389 S HN . 26728 1 563 . 1 1 135 135 SER C C 13 174.466 . . 1 . . . . 389 S CO . 26728 1 564 . 1 1 135 135 SER CA C 13 58.585 . . 1 . . . . 389 S CA . 26728 1 565 . 1 1 135 135 SER CB C 13 63.77 . . 1 . . . . 389 S CB . 26728 1 566 . 1 1 135 135 SER N N 15 114.690 . . 1 . . . . 389 S N . 26728 1 567 . 1 1 136 136 ASN H H 1 8.425 . . 1 . . . . 390 N HN . 26728 1 568 . 1 1 136 136 ASN C C 13 175.058 . . 1 . . . . 390 N CO . 26728 1 569 . 1 1 136 136 ASN CA C 13 53.172 . . 1 . . . . 390 N CA . 26728 1 570 . 1 1 136 136 ASN CB C 13 38.836 . . 1 . . . . 390 N CB . 26728 1 571 . 1 1 136 136 ASN N N 15 120.750 . . 1 . . . . 390 N N . 26728 1 572 . 1 1 137 137 ALA H H 1 8.311 . . 1 . . . . 391 A HN . 26728 1 573 . 1 1 137 137 ALA C C 13 178.246 . . 1 . . . . 391 A CO . 26728 1 574 . 1 1 137 137 ALA CA C 13 52.981 . . 1 . . . . 391 A CA . 26728 1 575 . 1 1 137 137 ALA CB C 13 19.128 . . 1 . . . . 391 A CB . 26728 1 576 . 1 1 137 137 ALA N N 15 124.197 . . 1 . . . . 391 A N . 26728 1 577 . 1 1 138 138 GLY H H 1 8.414 . . 1 . . . . 392 G HN . 26728 1 578 . 1 1 138 138 GLY C C 13 174.38 . . 1 . . . . 392 G CO . 26728 1 579 . 1 1 138 138 GLY CA C 13 45.322 . . 1 . . . . 392 G CA . 26728 1 580 . 1 1 138 138 GLY N N 15 108.056 . . 1 . . . . 392 G N . 26728 1 581 . 1 1 139 139 SER H H 1 8.309 . . 1 . . . . 393 S HN . 26728 1 582 . 1 1 139 139 SER C C 13 175.204 . . 1 . . . . 393 S CO . 26728 1 583 . 1 1 139 139 SER CA C 13 58.615 . . 1 . . . . 393 S CA . 26728 1 584 . 1 1 139 139 SER CB C 13 63.984 . . 1 . . . . 393 S CB . 26728 1 585 . 1 1 139 139 SER N N 15 115.644 . . 1 . . . . 393 S N . 26728 1 586 . 1 1 140 140 GLY H H 1 8.593 . . 1 . . . . 394 G HN . 26728 1 587 . 1 1 140 140 GLY C C 13 174.371 . . 1 . . . . 394 G CO . 26728 1 588 . 1 1 140 140 GLY CA C 13 45.356 . . 1 . . . . 394 G CA . 26728 1 589 . 1 1 140 140 GLY N N 15 111.143 . . 1 . . . . 394 G N . 26728 1 590 . 1 1 141 141 SER H H 1 8.362 . . 1 . . . . 395 S HN . 26728 1 591 . 1 1 141 141 SER C C 13 175.081 . . 1 . . . . 395 S CO . 26728 1 592 . 1 1 141 141 SER CA C 13 58.638 . . 1 . . . . 395 S CA . 26728 1 593 . 1 1 141 141 SER CB C 13 63.969 . . 1 . . . . 395 S CB . 26728 1 594 . 1 1 141 141 SER N N 15 115.727 . . 1 . . . . 395 S N . 26728 1 595 . 1 1 142 142 GLY H H 1 8.513 . . 1 . . . . 396 G HN . 26728 1 596 . 1 1 142 142 GLY C C 13 173.895 . . 1 . . . . 396 G CO . 26728 1 597 . 1 1 142 142 GLY CA C 13 45.305 . . 1 . . . . 396 G CA . 26728 1 598 . 1 1 142 142 GLY N N 15 110.659 . . 1 . . . . 396 G N . 26728 1 599 . 1 1 143 143 PHE H H 1 8.245 . . 1 . . . . 397 F HN . 26728 1 600 . 1 1 143 143 PHE C C 13 175.897 . . 1 . . . . 397 F CO . 26728 1 601 . 1 1 143 143 PHE CA C 13 58.037 . . 1 . . . . 397 F CA . 26728 1 602 . 1 1 143 143 PHE CB C 13 39.591 . . 1 . . . . 397 F CB . 26728 1 603 . 1 1 143 143 PHE N N 15 120.477 . . 1 . . . . 397 F N . 26728 1 604 . 1 1 144 144 ASN H H 1 8.564 . . 1 . . . . 398 N HN . 26728 1 605 . 1 1 144 144 ASN C C 13 175.422 . . 1 . . . . 398 N CO . 26728 1 606 . 1 1 144 144 ASN CA C 13 53.079 . . 1 . . . . 398 N CA . 26728 1 607 . 1 1 144 144 ASN CB C 13 38.791 . . 1 . . . . 398 N CB . 26728 1 608 . 1 1 144 144 ASN N N 15 121.851 . . 1 . . . . 398 N N . 26728 1 609 . 1 1 145 145 GLY H H 1 7.875 . . 1 . . . . 399 G HN . 26728 1 610 . 1 1 145 145 GLY C C 13 174.415 . . 1 . . . . 399 G CO . 26728 1 611 . 1 1 145 145 GLY CA C 13 45.562 . . 1 . . . . 399 G CA . 26728 1 612 . 1 1 145 145 GLY N N 15 108.622 . . 1 . . . . 399 G N . 26728 1 613 . 1 1 146 146 GLY H H 1 8.135 . . 1 . . . . 400 G HN . 26728 1 614 . 1 1 146 146 GLY C C 13 173.983 . . 1 . . . . 400 G CO . 26728 1 615 . 1 1 146 146 GLY CA C 13 44.994 . . 1 . . . . 400 G CA . 26728 1 616 . 1 1 146 146 GLY N N 15 108.238 . . 1 . . . . 400 G N . 26728 1 617 . 1 1 147 147 PHE H H 1 8.256 . . 1 . . . . 401 F HN . 26728 1 618 . 1 1 147 147 PHE C C 13 176.529 . . 1 . . . . 401 F CO . 26728 1 619 . 1 1 147 147 PHE CA C 13 58.091 . . 1 . . . . 401 F CA . 26728 1 620 . 1 1 147 147 PHE CB C 13 39.57 . . 1 . . . . 401 F CB . 26728 1 621 . 1 1 147 147 PHE N N 15 120.092 . . 1 . . . . 401 F N . 26728 1 622 . 1 1 148 148 GLY H H 1 8.507 . . 1 . . . . 402 G HN . 26728 1 623 . 1 1 148 148 GLY C C 13 174.145 . . 1 . . . . 402 G CO . 26728 1 624 . 1 1 148 148 GLY CA C 13 45.32 . . 1 . . . . 402 G CA . 26728 1 625 . 1 1 148 148 GLY N N 15 111.020 . . 1 . . . . 402 G N . 26728 1 626 . 1 1 149 149 SER H H 1 8.307 . . 1 . . . . 403 S HN . 26728 1 627 . 1 1 149 149 SER C C 13 174.854 . . 1 . . . . 403 S CO . 26728 1 628 . 1 1 149 149 SER CA C 13 58.305 . . 1 . . . . 403 S CA . 26728 1 629 . 1 1 149 149 SER CB C 13 64.164 . . 1 . . . . 403 S CB . 26728 1 630 . 1 1 149 149 SER N N 15 115.768 . . 1 . . . . 403 S N . 26728 1 631 . 1 1 150 150 SER H H 1 8.549 . . 1 . . . . 404 S HN . 26728 1 632 . 1 1 150 150 SER C C 13 174.848 . . 1 . . . . 404 S CO . 26728 1 633 . 1 1 150 150 SER CA C 13 58.682 . . 1 . . . . 404 S CA . 26728 1 634 . 1 1 150 150 SER CB C 13 63.759 . . 1 . . . . 404 S CB . 26728 1 635 . 1 1 150 150 SER N N 15 117.889 . . 1 . . . . 404 S N . 26728 1 636 . 1 1 151 151 MET H H 1 8.472 . . 1 . . . . 405 M HN . 26728 1 637 . 1 1 151 151 MET C C 13 176.082 . . 1 . . . . 405 M CO . 26728 1 638 . 1 1 151 151 MET CA C 13 55.742 . . 1 . . . . 405 M CA . 26728 1 639 . 1 1 151 151 MET CB C 13 32.69 . . 1 . . . . 405 M CB . 26728 1 640 . 1 1 151 151 MET N N 15 121.922 . . 1 . . . . 405 M N . 26728 1 641 . 1 1 152 152 ASP H H 1 8.307 . . 1 . . . . 406 D HN . 26728 1 642 . 1 1 152 152 ASP C C 13 176.49 . . 1 . . . . 406 D CO . 26728 1 643 . 1 1 152 152 ASP CA C 13 54.414 . . 1 . . . . 406 D CA . 26728 1 644 . 1 1 152 152 ASP CB C 13 41.281 . . 1 . . . . 406 D CB . 26728 1 645 . 1 1 152 152 ASP N N 15 121.174 . . 1 . . . . 406 D N . 26728 1 646 . 1 1 153 153 SER H H 1 8.329 . . 1 . . . . 407 S HN . 26728 1 647 . 1 1 153 153 SER C C 13 174.958 . . 1 . . . . 407 S CO . 26728 1 648 . 1 1 153 153 SER CA C 13 58.963 . . 1 . . . . 407 S CA . 26728 1 649 . 1 1 153 153 SER CB C 13 63.605 . . 1 . . . . 407 S CB . 26728 1 650 . 1 1 153 153 SER N N 15 116.806 . . 1 . . . . 407 S N . 26728 1 651 . 1 1 154 154 LYS H H 1 8.404 . . 1 . . . . 408 K HN . 26728 1 652 . 1 1 154 154 LYS C C 13 177.017 . . 1 . . . . 408 K CO . 26728 1 653 . 1 1 154 154 LYS CA C 13 56.608 . . 1 . . . . 408 K CA . 26728 1 654 . 1 1 154 154 LYS CB C 13 32.704 . . 1 . . . . 408 K CB . 26728 1 655 . 1 1 154 154 LYS N N 15 122.776 . . 1 . . . . 408 K N . 26728 1 656 . 1 1 155 155 SER H H 1 8.298 . . 1 . . . . 409 S HN . 26728 1 657 . 1 1 155 155 SER C C 13 174.815 . . 1 . . . . 409 S CO . 26728 1 658 . 1 1 155 155 SER CA C 13 58.512 . . 1 . . . . 409 S CA . 26728 1 659 . 1 1 155 155 SER CB C 13 63.839 . . 1 . . . . 409 S CB . 26728 1 660 . 1 1 155 155 SER N N 15 116.393 . . 1 . . . . 409 S N . 26728 1 661 . 1 1 156 156 SER H H 1 8.410 . . 1 . . . . 410 S HN . 26728 1 662 . 1 1 156 156 SER C C 13 174.968 . . 1 . . . . 410 S CO . 26728 1 663 . 1 1 156 156 SER CA C 13 58.832 . . 1 . . . . 410 S CA . 26728 1 664 . 1 1 156 156 SER CB C 13 63.775 . . 1 . . . . 410 S CB . 26728 1 665 . 1 1 156 156 SER N N 15 117.790 . . 1 . . . . 410 S N . 26728 1 666 . 1 1 157 157 GLY H H 1 8.404 . . 1 . . . . 411 G HN . 26728 1 667 . 1 1 157 157 GLY C C 13 173.905 . . 1 . . . . 411 G CO . 26728 1 668 . 1 1 157 157 GLY CA C 13 45.312 . . 1 . . . . 411 G CA . 26728 1 669 . 1 1 157 157 GLY N N 15 110.505 . . 1 . . . . 411 G N . 26728 1 670 . 1 1 158 158 TRP H H 1 8.120 . . 1 . . . . 412 W HN . 26728 1 671 . 1 1 158 158 TRP C C 13 176.851 . . 1 . . . . 412 W CO . 26728 1 672 . 1 1 158 158 TRP CA C 13 57.716 . . 1 . . . . 412 W CA . 26728 1 673 . 1 1 158 158 TRP CB C 13 29.586 . . 1 . . . . 412 W CB . 26728 1 674 . 1 1 158 158 TRP N N 15 121.117 . . 1 . . . . 412 W N . 26728 1 675 . 1 1 159 159 GLY H H 1 8.356 . . 1 . . . . 413 G HN . 26728 1 676 . 1 1 159 159 GLY C C 13 173.199 . . 1 . . . . 413 G CO . 26728 1 677 . 1 1 159 159 GLY CA C 13 45.477 . . 1 . . . . 413 G CA . 26728 1 678 . 1 1 159 159 GLY N N 15 111.798 . . 1 . . . . 413 G N . 26728 1 679 . 1 1 160 160 MET H H 1 7.757 . . 1 . . . . 414 M HN . 26728 1 680 . 1 1 160 160 MET N N 15 124.642 . . 1 . . . . 414 M N . 26728 1 stop_ save_