data_19037 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19037 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments of h-prune C-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-14 _Entry.Accession_date 2013-02-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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.Entry_ID 1 Donatella Diana . . . 19037 2 Roberto Fattorusso . . . 19037 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19037 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 19037 '15N chemical shifts' 86 19037 '1H chemical shifts' 201 19037 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 2 . . 2013-03-12 2013-02-14 update BMRB 'update entry citation' 19037 1 . . 2013-03-04 2013-02-14 original author 'original release' 19037 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19037 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23448979 _Citation.Full_citation . _Citation.Title 'Neuroblastoma tumorigenesis is regulated through the Nm23-H1/h-Prune C-terminal interaction.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 3 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1351 _Citation.Page_last 1351 _Citation.Year 2013 _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.Entry_ID _Citation_author.Citation_ID 1 Marianeve Carotenuto . . . 19037 1 2 Emilia Pedone . . . 19037 1 3 Donatella Diana . . . 19037 1 4 Pasqualino 'de Antonellis' . . . 19037 1 5 Sao Deroski . . . 19037 1 6 Natascia Marino . . . 19037 1 7 Luigi Navas . . . 19037 1 8 Valeria 'Di Dato' . . . 19037 1 9 'Maria Nunzia' Scoppettuolo . . . 19037 1 10 Flora Cimmino . . . 19037 1 11 Stefania Correale . . . 19037 1 12 Luciano Pirone . . . 19037 1 13 'Simona Maria' Monti . . . 19037 1 14 Elisabeth Bruder . . . 19037 1 15 Bernard Zenko . . . 19037 1 16 Ivica Slavkov . . . 19037 1 17 Fabio Pastorino . . . 19037 1 18 Mirco Ponzoni . . . 19037 1 19 Johannes Schulte . H. . 19037 1 20 Alexander Schramm . . . 19037 1 21 Angelika Eggert . . . 19037 1 22 Frank Westermann . . . 19037 1 23 Gianluigi Arrigoni . . . 19037 1 24 Benedetta Accordi . . . 19037 1 25 Giuseppe Basso . . . 19037 1 26 Michele Saviano . . . 19037 1 27 Roberto Fattorusso . . . 19037 1 28 Massimo Zollo . . . 19037 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19037 _Assembly.ID 1 _Assembly.Name 'h-prune C-terminal domain' _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 'h-prune C-terminal domain' 1 $h-prune_C-terminal_domain A . yes 'intrinsically disordered' no no . . . 19037 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 66 66 SG . 1 . 1 CYS 84 84 SG . . . . . . . . . . 19037 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_h-prune_C-terminal_domain _Entity.Sf_category entity _Entity.Sf_framecode h-prune_C-terminal_domain _Entity.Entry_ID 19037 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name h-prune_C-terminal_domain _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 ; LLQEALSAYFDSMKIPSGQP ETADVSREQVDKELDRASNS LISGLSQDEEDPPLPPTPMN SLVDECPLDQGLPKLSAEAV FEKCSQISLSQSTTASLSKK ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAB55423 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 218 100.00 100.00 2.90e-61 . . . . 19037 1 2 no DBJ BAG37575 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 453 100.00 100.00 3.28e-59 . . . . 19037 1 3 no DBJ BAG57478 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 221 100.00 100.00 1.11e-61 . . . . 19037 1 4 no DBJ BAG60534 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 221 100.00 100.00 1.11e-61 . . . . 19037 1 5 no DBJ BAH14908 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 169 100.00 100.00 5.73e-62 . . . . 19037 1 6 no EMBL CAH56396 . "hypothetical protein [Homo sapiens]" . . . . . 86.00 86 100.00 100.00 1.59e-51 . . . . 19037 1 7 no GB AAC95290 . "PRUNE-like protein [Homo sapiens]" . . . . . 100.00 453 100.00 100.00 3.28e-59 . . . . 19037 1 8 no GB AAF04914 . "TcD37 homolog, partial [Homo sapiens]" . . . . . 100.00 435 100.00 100.00 2.44e-59 . . . . 19037 1 9 no GB AAH14886 . "PRUNE protein [Homo sapiens]" . . . . . 100.00 271 100.00 100.00 5.77e-61 . . . . 19037 1 10 no GB AAH25304 . "Prune homolog (Drosophila) [Homo sapiens]" . . . . . 100.00 453 100.00 100.00 3.28e-59 . . . . 19037 1 11 no GB AAH63481 . "PRUNE protein [Homo sapiens]" . . . . . 100.00 168 100.00 100.00 4.71e-62 . . . . 19037 1 12 no REF NP_001267140 . "protein prune homolog [Pan troglodytes]" . . . . . 100.00 453 100.00 100.00 2.92e-59 . . . . 19037 1 13 no REF NP_001290158 . "protein prune homolog isoform 2 [Homo sapiens]" . . . . . 100.00 271 100.00 100.00 5.77e-61 . . . . 19037 1 14 no REF NP_001290171 . "protein prune homolog isoform 3 [Homo sapiens]" . . . . . 100.00 400 100.00 100.00 1.86e-59 . . . . 19037 1 15 no REF NP_001290172 . "protein prune homolog isoform 4 [Homo sapiens]" . . . . . 100.00 252 100.00 100.00 1.06e-61 . . . . 19037 1 16 no REF NP_067045 . "protein prune homolog isoform 1 [Homo sapiens]" . . . . . 100.00 453 100.00 100.00 3.28e-59 . . . . 19037 1 17 no SP Q86TP1 . "RecName: Full=Protein prune homolog; Short=hPrune; AltName: Full=Drosophila-related expressed sequence 17; Short=DRES-17; Short" . . . . . 100.00 453 100.00 100.00 3.28e-59 . . . . 19037 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 354 LEU . 19037 1 2 355 LEU . 19037 1 3 356 GLN . 19037 1 4 357 GLU . 19037 1 5 358 ALA . 19037 1 6 359 LEU . 19037 1 7 360 SER . 19037 1 8 361 ALA . 19037 1 9 362 TYR . 19037 1 10 363 PHE . 19037 1 11 364 ASP . 19037 1 12 365 SER . 19037 1 13 366 MET . 19037 1 14 367 LYS . 19037 1 15 368 ILE . 19037 1 16 369 PRO . 19037 1 17 370 SER . 19037 1 18 371 GLY . 19037 1 19 372 GLN . 19037 1 20 373 PRO . 19037 1 21 374 GLU . 19037 1 22 375 THR . 19037 1 23 376 ALA . 19037 1 24 377 ASP . 19037 1 25 378 VAL . 19037 1 26 379 SER . 19037 1 27 380 ARG . 19037 1 28 381 GLU . 19037 1 29 382 GLN . 19037 1 30 383 VAL . 19037 1 31 384 ASP . 19037 1 32 385 LYS . 19037 1 33 386 GLU . 19037 1 34 387 LEU . 19037 1 35 388 ASP . 19037 1 36 389 ARG . 19037 1 37 390 ALA . 19037 1 38 391 SER . 19037 1 39 392 ASN . 19037 1 40 393 SER . 19037 1 41 394 LEU . 19037 1 42 395 ILE . 19037 1 43 396 SER . 19037 1 44 397 GLY . 19037 1 45 398 LEU . 19037 1 46 399 SER . 19037 1 47 400 GLN . 19037 1 48 401 ASP . 19037 1 49 402 GLU . 19037 1 50 403 GLU . 19037 1 51 404 ASP . 19037 1 52 405 PRO . 19037 1 53 406 PRO . 19037 1 54 407 LEU . 19037 1 55 408 PRO . 19037 1 56 409 PRO . 19037 1 57 410 THR . 19037 1 58 411 PRO . 19037 1 59 412 MET . 19037 1 60 413 ASN . 19037 1 61 414 SER . 19037 1 62 415 LEU . 19037 1 63 416 VAL . 19037 1 64 417 ASP . 19037 1 65 418 GLU . 19037 1 66 419 CYS . 19037 1 67 420 PRO . 19037 1 68 421 LEU . 19037 1 69 422 ASP . 19037 1 70 423 GLN . 19037 1 71 424 GLY . 19037 1 72 425 LEU . 19037 1 73 426 PRO . 19037 1 74 427 LYS . 19037 1 75 428 LEU . 19037 1 76 429 SER . 19037 1 77 430 ALA . 19037 1 78 431 GLU . 19037 1 79 432 ALA . 19037 1 80 433 VAL . 19037 1 81 434 PHE . 19037 1 82 435 GLU . 19037 1 83 436 LYS . 19037 1 84 437 CYS . 19037 1 85 438 SER . 19037 1 86 439 GLN . 19037 1 87 440 ILE . 19037 1 88 441 SER . 19037 1 89 442 LEU . 19037 1 90 443 SER . 19037 1 91 444 GLN . 19037 1 92 445 SER . 19037 1 93 446 THR . 19037 1 94 447 THR . 19037 1 95 448 ALA . 19037 1 96 449 SER . 19037 1 97 450 LEU . 19037 1 98 451 SER . 19037 1 99 452 LYS . 19037 1 100 453 LYS . 19037 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 . LEU 1 1 19037 1 . LEU 2 2 19037 1 . GLN 3 3 19037 1 . GLU 4 4 19037 1 . ALA 5 5 19037 1 . LEU 6 6 19037 1 . SER 7 7 19037 1 . ALA 8 8 19037 1 . TYR 9 9 19037 1 . PHE 10 10 19037 1 . ASP 11 11 19037 1 . SER 12 12 19037 1 . MET 13 13 19037 1 . LYS 14 14 19037 1 . ILE 15 15 19037 1 . PRO 16 16 19037 1 . SER 17 17 19037 1 . GLY 18 18 19037 1 . GLN 19 19 19037 1 . PRO 20 20 19037 1 . GLU 21 21 19037 1 . THR 22 22 19037 1 . ALA 23 23 19037 1 . ASP 24 24 19037 1 . VAL 25 25 19037 1 . SER 26 26 19037 1 . ARG 27 27 19037 1 . GLU 28 28 19037 1 . GLN 29 29 19037 1 . VAL 30 30 19037 1 . ASP 31 31 19037 1 . LYS 32 32 19037 1 . GLU 33 33 19037 1 . LEU 34 34 19037 1 . ASP 35 35 19037 1 . ARG 36 36 19037 1 . ALA 37 37 19037 1 . SER 38 38 19037 1 . ASN 39 39 19037 1 . SER 40 40 19037 1 . LEU 41 41 19037 1 . ILE 42 42 19037 1 . SER 43 43 19037 1 . GLY 44 44 19037 1 . LEU 45 45 19037 1 . SER 46 46 19037 1 . GLN 47 47 19037 1 . ASP 48 48 19037 1 . GLU 49 49 19037 1 . GLU 50 50 19037 1 . ASP 51 51 19037 1 . PRO 52 52 19037 1 . PRO 53 53 19037 1 . LEU 54 54 19037 1 . PRO 55 55 19037 1 . PRO 56 56 19037 1 . THR 57 57 19037 1 . PRO 58 58 19037 1 . MET 59 59 19037 1 . ASN 60 60 19037 1 . SER 61 61 19037 1 . LEU 62 62 19037 1 . VAL 63 63 19037 1 . ASP 64 64 19037 1 . GLU 65 65 19037 1 . CYS 66 66 19037 1 . PRO 67 67 19037 1 . LEU 68 68 19037 1 . ASP 69 69 19037 1 . GLN 70 70 19037 1 . GLY 71 71 19037 1 . LEU 72 72 19037 1 . PRO 73 73 19037 1 . LYS 74 74 19037 1 . LEU 75 75 19037 1 . SER 76 76 19037 1 . ALA 77 77 19037 1 . GLU 78 78 19037 1 . ALA 79 79 19037 1 . VAL 80 80 19037 1 . PHE 81 81 19037 1 . GLU 82 82 19037 1 . LYS 83 83 19037 1 . CYS 84 84 19037 1 . SER 85 85 19037 1 . GLN 86 86 19037 1 . ILE 87 87 19037 1 . SER 88 88 19037 1 . LEU 89 89 19037 1 . SER 90 90 19037 1 . GLN 91 91 19037 1 . SER 92 92 19037 1 . THR 93 93 19037 1 . THR 94 94 19037 1 . ALA 95 95 19037 1 . SER 96 96 19037 1 . LEU 97 97 19037 1 . SER 98 98 19037 1 . LYS 99 99 19037 1 . LYS 100 100 19037 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 19037 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $h-prune_C-terminal_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19037 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 19037 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $h-prune_C-terminal_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETM11 . . . . . . 19037 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19037 _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 'h-prune C-terminal domain' '[U-100% 13C; U-100% 15N]' . . 1 $h-prune_C-terminal_domain . . 0.6 . . mM . . . . 19037 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19037 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 19037 _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' 10 . mM 19037 1 pH 7 . pH 19037 1 pressure 1 . atm 19037 1 temperature 298 . K 19037 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19037 _Software.ID 1 _Software.Name CARA _Software.Version '1.5, 1.8' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19037 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19037 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 19037 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'NMR spectrometer equipped with a cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19037 _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 Varian INOVA . 600 'NMR spectrometer equipped with a cold probe' . . 19037 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 19037 _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' yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19037 1 2 '3D HNCO' yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19037 1 3 '3D HCACO' yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19037 1 4 '3D HNCACB' yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19037 1 5 '3D CBCA(CO)NH' yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19037 1 6 '3D HNHA' yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19037 1 7 '3D 1H-15N NOESY' yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19037 1 8 '3D 1H-15N TOCSY' yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19037 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19037 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CARA _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19037 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19037 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19037 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19037 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 19037 _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' . . . 19037 1 2 '3D HNCO' . . . 19037 1 3 '3D HCACO' . . . 19037 1 4 '3D HNCACB' . . . 19037 1 5 '3D CBCA(CO)NH' . . . 19037 1 6 '3D HNHA' . . . 19037 1 7 '3D 1H-15N NOESY' . . . 19037 1 8 '3D 1H-15N TOCSY' . . . 19037 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 1 1 LEU H H 1 8.304 0.020 . 1 . . . . 354 LEU H . 19037 1 2 . 1 1 1 1 LEU HA H 1 4.366 0.020 . 1 . . . . 354 LEU HA . 19037 1 3 . 1 1 1 1 LEU C C 13 177.098 0.300 . 1 . . . . 354 LEU C . 19037 1 4 . 1 1 1 1 LEU CA C 13 55.700 0.300 . 1 . . . . 354 LEU CA . 19037 1 5 . 1 1 1 1 LEU CB C 13 42.400 0.300 . 1 . . . . 354 LEU CB . 19037 1 6 . 1 1 1 1 LEU N N 15 124.484 0.300 . 1 . . . . 354 LEU N . 19037 1 7 . 1 1 2 2 LEU H H 1 8.708 0.020 . 1 . . . . 355 LEU H . 19037 1 8 . 1 1 2 2 LEU HA H 1 4.207 0.020 . 1 . . . . 355 LEU HA . 19037 1 9 . 1 1 2 2 LEU C C 13 177.181 0.300 . 1 . . . . 355 LEU C . 19037 1 10 . 1 1 2 2 LEU CA C 13 55.790 0.300 . 1 . . . . 355 LEU CA . 19037 1 11 . 1 1 2 2 LEU CB C 13 41.564 0.300 . 1 . . . . 355 LEU CB . 19037 1 12 . 1 1 2 2 LEU N N 15 122.308 0.300 . 1 . . . . 355 LEU N . 19037 1 13 . 1 1 3 3 GLN H H 1 8.163 0.020 . 1 . . . . 356 GLN H . 19037 1 14 . 1 1 3 3 GLN HA H 1 4.171 0.020 . 1 . . . . 356 GLN HA . 19037 1 15 . 1 1 3 3 GLN C C 13 177.770 0.300 . 1 . . . . 356 GLN C . 19037 1 16 . 1 1 3 3 GLN CA C 13 56.813 0.300 . 1 . . . . 356 GLN CA . 19037 1 17 . 1 1 3 3 GLN CB C 13 29.033 0.300 . 1 . . . . 356 GLN CB . 19037 1 18 . 1 1 3 3 GLN N N 15 122.438 0.300 . 1 . . . . 356 GLN N . 19037 1 19 . 1 1 4 4 GLU H H 1 8.305 0.020 . 1 . . . . 357 GLU H . 19037 1 20 . 1 1 4 4 GLU HA H 1 4.033 0.020 . 1 . . . . 357 GLU HA . 19037 1 21 . 1 1 4 4 GLU C C 13 176.326 0.300 . 1 . . . . 357 GLU C . 19037 1 22 . 1 1 4 4 GLU CA C 13 57.868 0.300 . 1 . . . . 357 GLU CA . 19037 1 23 . 1 1 4 4 GLU CB C 13 29.645 0.300 . 1 . . . . 357 GLU CB . 19037 1 24 . 1 1 4 4 GLU N N 15 123.374 0.300 . 1 . . . . 357 GLU N . 19037 1 25 . 1 1 5 5 ALA H H 1 8.319 0.020 . 1 . . . . 358 ALA H . 19037 1 26 . 1 1 5 5 ALA HA H 1 4.135 0.020 . 1 . . . . 358 ALA HA . 19037 1 27 . 1 1 5 5 ALA C C 13 177.989 0.300 . 1 . . . . 358 ALA C . 19037 1 28 . 1 1 5 5 ALA CA C 13 53.591 0.300 . 1 . . . . 358 ALA CA . 19037 1 29 . 1 1 5 5 ALA CB C 13 18.558 0.300 . 1 . . . . 358 ALA CB . 19037 1 30 . 1 1 5 5 ALA N N 15 124.584 0.300 . 1 . . . . 358 ALA N . 19037 1 31 . 1 1 6 6 LEU H H 1 8.177 0.020 . 1 . . . . 359 LEU H . 19037 1 32 . 1 1 6 6 LEU HA H 1 4.082 0.020 . 1 . . . . 359 LEU HA . 19037 1 33 . 1 1 6 6 LEU C C 13 177.251 0.300 . 1 . . . . 359 LEU C . 19037 1 34 . 1 1 6 6 LEU CA C 13 55.899 0.300 . 1 . . . . 359 LEU CA . 19037 1 35 . 1 1 6 6 LEU CB C 13 41.851 0.300 . 1 . . . . 359 LEU CB . 19037 1 36 . 1 1 6 6 LEU N N 15 123.010 0.300 . 1 . . . . 359 LEU N . 19037 1 37 . 1 1 7 7 SER H H 1 8.133 0.020 . 1 . . . . 360 SER H . 19037 1 38 . 1 1 7 7 SER HA H 1 4.292 0.020 . 1 . . . . 360 SER HA . 19037 1 39 . 1 1 7 7 SER C C 13 175.138 0.300 . 1 . . . . 360 SER C . 19037 1 40 . 1 1 7 7 SER CA C 13 59.003 0.300 . 1 . . . . 360 SER CA . 19037 1 41 . 1 1 7 7 SER CB C 13 63.675 0.300 . 1 . . . . 360 SER CB . 19037 1 42 . 1 1 7 7 SER N N 15 117.437 0.300 . 1 . . . . 360 SER N . 19037 1 43 . 1 1 8 8 ALA H H 1 8.353 0.020 . 1 . . . . 361 ALA H . 19037 1 44 . 1 1 8 8 ALA HA H 1 4.122 0.020 . 1 . . . . 361 ALA HA . 19037 1 45 . 1 1 8 8 ALA C C 13 178.189 0.300 . 1 . . . . 361 ALA C . 19037 1 46 . 1 1 8 8 ALA CA C 13 53.351 0.300 . 1 . . . . 361 ALA CA . 19037 1 47 . 1 1 8 8 ALA CB C 13 18.767 0.300 . 1 . . . . 361 ALA CB . 19037 1 48 . 1 1 8 8 ALA N N 15 126.455 0.300 . 1 . . . . 361 ALA N . 19037 1 49 . 1 1 9 9 TYR H H 1 7.935 0.020 . 1 . . . . 362 TYR H . 19037 1 50 . 1 1 9 9 TYR HA H 1 4.367 0.020 . 1 . . . . 362 TYR HA . 19037 1 51 . 1 1 9 9 TYR HB2 H 1 2.365 0.020 . 2 . . . . 362 TYR HB2 . 19037 1 52 . 1 1 9 9 TYR HB3 H 1 2.333 0.020 . 2 . . . . 362 TYR HB3 . 19037 1 53 . 1 1 9 9 TYR C C 13 176.000 0.300 . 1 . . . . 362 TYR C . 19037 1 54 . 1 1 9 9 TYR CA C 13 58.303 0.300 . 1 . . . . 362 TYR CA . 19037 1 55 . 1 1 9 9 TYR CB C 13 39.057 0.300 . 1 . . . . 362 TYR CB . 19037 1 56 . 1 1 9 9 TYR N N 15 120.330 0.300 . 1 . . . . 362 TYR N . 19037 1 57 . 1 1 10 10 PHE H H 1 8.202 0.020 . 1 . . . . 363 PHE H . 19037 1 58 . 1 1 10 10 PHE HA H 1 4.308 0.020 . 1 . . . . 363 PHE HA . 19037 1 59 . 1 1 10 10 PHE HB2 H 1 3.000 0.020 . 2 . . . . 363 PHE HB2 . 19037 1 60 . 1 1 10 10 PHE HB3 H 1 2.988 0.020 . 2 . . . . 363 PHE HB3 . 19037 1 61 . 1 1 10 10 PHE C C 13 175.949 0.300 . 1 . . . . 363 PHE C . 19037 1 62 . 1 1 10 10 PHE CA C 13 58.525 0.300 . 1 . . . . 363 PHE CA . 19037 1 63 . 1 1 10 10 PHE CB C 13 39.690 0.300 . 1 . . . . 363 PHE CB . 19037 1 64 . 1 1 10 10 PHE N N 15 124.166 0.300 . 1 . . . . 363 PHE N . 19037 1 65 . 1 1 11 11 ASP H H 1 8.008 0.020 . 1 . . . . 364 ASP H . 19037 1 66 . 1 1 11 11 ASP HA H 1 4.315 0.020 . 1 . . . . 364 ASP HA . 19037 1 67 . 1 1 11 11 ASP C C 13 176.716 0.300 . 1 . . . . 364 ASP C . 19037 1 68 . 1 1 11 11 ASP CA C 13 55.065 0.300 . 1 . . . . 364 ASP CA . 19037 1 69 . 1 1 11 11 ASP CB C 13 40.564 0.300 . 1 . . . . 364 ASP CB . 19037 1 70 . 1 1 11 11 ASP N N 15 120.959 0.300 . 1 . . . . 364 ASP N . 19037 1 71 . 1 1 12 12 SER H H 1 8.105 0.020 . 1 . . . . 365 SER H . 19037 1 72 . 1 1 12 12 SER HA H 1 4.315 0.020 . 1 . . . . 365 SER HA . 19037 1 73 . 1 1 12 12 SER HB2 H 1 3.828 0.020 . 1 . . . . 365 SER HB2 . 19037 1 74 . 1 1 12 12 SER HB3 H 1 3.828 0.020 . 1 . . . . 365 SER HB3 . 19037 1 75 . 1 1 12 12 SER C C 13 175.017 0.300 . 1 . . . . 365 SER C . 19037 1 76 . 1 1 12 12 SER CA C 13 58.949 0.300 . 1 . . . . 365 SER CA . 19037 1 77 . 1 1 12 12 SER CB C 13 63.722 0.300 . 1 . . . . 365 SER CB . 19037 1 78 . 1 1 12 12 SER N N 15 118.059 0.300 . 1 . . . . 365 SER N . 19037 1 79 . 1 1 13 13 MET H H 1 8.369 0.020 . 1 . . . . 366 MET H . 19037 1 80 . 1 1 13 13 MET HA H 1 4.403 0.020 . 1 . . . . 366 MET HA . 19037 1 81 . 1 1 13 13 MET C C 13 176.559 0.300 . 1 . . . . 366 MET C . 19037 1 82 . 1 1 13 13 MET CA C 13 56.200 0.300 . 1 . . . . 366 MET CA . 19037 1 83 . 1 1 13 13 MET CB C 13 32.987 0.300 . 1 . . . . 366 MET CB . 19037 1 84 . 1 1 13 13 MET N N 15 122.633 0.300 . 1 . . . . 366 MET N . 19037 1 85 . 1 1 14 14 LYS H H 1 8.263 0.020 . 1 . . . . 367 LYS H . 19037 1 86 . 1 1 14 14 LYS HA H 1 4.250 0.020 . 1 . . . . 367 LYS HA . 19037 1 87 . 1 1 14 14 LYS C C 13 176.589 0.300 . 1 . . . . 367 LYS C . 19037 1 88 . 1 1 14 14 LYS CA C 13 57.006 0.300 . 1 . . . . 367 LYS CA . 19037 1 89 . 1 1 14 14 LYS CB C 13 32.787 0.300 . 1 . . . . 367 LYS CB . 19037 1 90 . 1 1 14 14 LYS N N 15 121.477 0.300 . 1 . . . . 367 LYS N . 19037 1 91 . 1 1 15 15 ILE H H 1 7.996 0.020 . 1 . . . . 368 ILE H . 19037 1 92 . 1 1 15 15 ILE HA H 1 4.242 0.020 . 1 . . . . 368 ILE HA . 19037 1 93 . 1 1 15 15 ILE C C 13 175.830 0.300 . 1 . . . . 368 ILE C . 19037 1 94 . 1 1 15 15 ILE CA C 13 61.565 0.300 . 1 . . . . 368 ILE CA . 19037 1 95 . 1 1 15 15 ILE CB C 13 38.623 0.300 . 1 . . . . 368 ILE CB . 19037 1 96 . 1 1 15 15 ILE N N 15 122.026 0.300 . 1 . . . . 368 ILE N . 19037 1 97 . 1 1 16 16 PRO HA H 1 4.387 0.020 . 1 . . . . 369 PRO HA . 19037 1 98 . 1 1 16 16 PRO CA C 13 63.297 0.300 . 1 . . . . 369 PRO CA . 19037 1 99 . 1 1 16 16 PRO CB C 13 31.720 0.300 . 1 . . . . 369 PRO CB . 19037 1 100 . 1 1 17 17 SER H H 1 8.392 0.020 . 1 . . . . 370 SER H . 19037 1 101 . 1 1 17 17 SER HA H 1 4.460 0.020 . 1 . . . . 370 SER HA . 19037 1 102 . 1 1 17 17 SER C C 13 174.682 0.300 . 1 . . . . 370 SER C . 19037 1 103 . 1 1 17 17 SER CA C 13 58.700 0.300 . 1 . . . . 370 SER CA . 19037 1 104 . 1 1 17 17 SER CB C 13 63.834 0.300 . 1 . . . . 370 SER CB . 19037 1 105 . 1 1 17 17 SER N N 15 119.600 0.300 . 1 . . . . 370 SER N . 19037 1 106 . 1 1 18 18 GLY H H 1 8.446 0.020 . 1 . . . . 371 GLY H . 19037 1 107 . 1 1 18 18 GLY HA2 H 1 3.963 0.020 . 1 . . . . 371 GLY HA2 . 19037 1 108 . 1 1 18 18 GLY HA3 H 1 3.963 0.020 . 1 . . . . 371 GLY HA3 . 19037 1 109 . 1 1 18 18 GLY C C 13 174.214 0.300 . 1 . . . . 371 GLY C . 19037 1 110 . 1 1 18 18 GLY CA C 13 45.310 0.300 . 1 . . . . 371 GLY CA . 19037 1 111 . 1 1 18 18 GLY N N 15 113.543 0.300 . 1 . . . . 371 GLY N . 19037 1 112 . 1 1 19 19 GLN H H 1 8.125 0.020 . 1 . . . . 372 GLN H . 19037 1 113 . 1 1 19 19 GLN HA H 1 4.231 0.020 . 1 . . . . 372 GLN HA . 19037 1 114 . 1 1 19 19 GLN C C 13 176.355 0.300 . 1 . . . . 372 GLN C . 19037 1 115 . 1 1 19 19 GLN CA C 13 56.574 0.300 . 1 . . . . 372 GLN CA . 19037 1 116 . 1 1 19 19 GLN CB C 13 29.172 0.300 . 1 . . . . 372 GLN CB . 19037 1 117 . 1 1 19 19 GLN N N 15 121.252 0.300 . 1 . . . . 372 GLN N . 19037 1 118 . 1 1 20 20 PRO HA H 1 4.355 0.020 . 1 . . . . 373 PRO HA . 19037 1 119 . 1 1 20 20 PRO CA C 13 63.325 0.300 . 1 . . . . 373 PRO CA . 19037 1 120 . 1 1 20 20 PRO CB C 13 31.719 0.300 . 1 . . . . 373 PRO CB . 19037 1 121 . 1 1 21 21 GLU H H 1 8.423 0.020 . 1 . . . . 374 GLU H . 19037 1 122 . 1 1 21 21 GLU HA H 1 4.258 0.020 . 1 . . . . 374 GLU HA . 19037 1 123 . 1 1 21 21 GLU C C 13 177.032 0.300 . 1 . . . . 374 GLU C . 19037 1 124 . 1 1 21 21 GLU CA C 13 57.366 0.300 . 1 . . . . 374 GLU CA . 19037 1 125 . 1 1 21 21 GLU CB C 13 28.915 0.300 . 1 . . . . 374 GLU CB . 19037 1 126 . 1 1 21 21 GLU N N 15 121.976 0.300 . 1 . . . . 374 GLU N . 19037 1 127 . 1 1 22 22 THR H H 1 8.215 0.020 . 1 . . . . 375 THR H . 19037 1 128 . 1 1 22 22 THR HA H 1 4.437 0.020 . 1 . . . . 375 THR HA . 19037 1 129 . 1 1 22 22 THR C C 13 174.630 0.300 . 1 . . . . 375 THR C . 19037 1 130 . 1 1 22 22 THR CA C 13 61.123 0.300 . 1 . . . . 375 THR CA . 19037 1 131 . 1 1 22 22 THR CB C 13 69.690 0.300 . 1 . . . . 375 THR CB . 19037 1 132 . 1 1 22 22 THR N N 15 116.656 0.300 . 1 . . . . 375 THR N . 19037 1 133 . 1 1 23 23 ALA H H 1 8.275 0.020 . 1 . . . . 376 ALA H . 19037 1 134 . 1 1 23 23 ALA HA H 1 4.222 0.020 . 1 . . . . 376 ALA HA . 19037 1 135 . 1 1 23 23 ALA C C 13 177.733 0.300 . 1 . . . . 376 ALA C . 19037 1 136 . 1 1 23 23 ALA CA C 13 53.120 0.300 . 1 . . . . 376 ALA CA . 19037 1 137 . 1 1 23 23 ALA CB C 13 19.000 0.300 . 1 . . . . 376 ALA CB . 19037 1 138 . 1 1 23 23 ALA N N 15 126.361 0.300 . 1 . . . . 376 ALA N . 19037 1 139 . 1 1 24 24 ASP H H 1 8.356 0.020 . 1 . . . . 377 ASP H . 19037 1 140 . 1 1 24 24 ASP HA H 1 4.588 0.020 . 1 . . . . 377 ASP HA . 19037 1 141 . 1 1 24 24 ASP C C 13 176.400 0.300 . 1 . . . . 377 ASP C . 19037 1 142 . 1 1 24 24 ASP CA C 13 54.682 0.300 . 1 . . . . 377 ASP CA . 19037 1 143 . 1 1 24 24 ASP CB C 13 40.719 0.300 . 1 . . . . 377 ASP CB . 19037 1 144 . 1 1 24 24 ASP N N 15 121.224 0.300 . 1 . . . . 377 ASP N . 19037 1 145 . 1 1 25 25 VAL H H 1 7.928 0.020 . 1 . . . . 378 VAL H . 19037 1 146 . 1 1 25 25 VAL HA H 1 4.108 0.020 . 1 . . . . 378 VAL HA . 19037 1 147 . 1 1 25 25 VAL C C 13 175.625 0.300 . 1 . . . . 378 VAL C . 19037 1 148 . 1 1 25 25 VAL CA C 13 62.490 0.300 . 1 . . . . 378 VAL CA . 19037 1 149 . 1 1 25 25 VAL CB C 13 32.700 0.300 . 1 . . . . 378 VAL CB . 19037 1 150 . 1 1 25 25 VAL N N 15 119.866 0.300 . 1 . . . . 378 VAL N . 19037 1 151 . 1 1 26 26 SER H H 1 8.439 0.020 . 1 . . . . 379 SER H . 19037 1 152 . 1 1 26 26 SER HA H 1 4.440 0.020 . 1 . . . . 379 SER HA . 19037 1 153 . 1 1 26 26 SER C C 13 174.592 0.300 . 1 . . . . 379 SER C . 19037 1 154 . 1 1 26 26 SER CA C 13 58.690 0.300 . 1 . . . . 379 SER CA . 19037 1 155 . 1 1 26 26 SER CB C 13 63.777 0.300 . 1 . . . . 379 SER CB . 19037 1 156 . 1 1 26 26 SER N N 15 120.416 0.300 . 1 . . . . 379 SER N . 19037 1 157 . 1 1 27 27 ARG H H 1 8.319 0.020 . 1 . . . . 380 ARG H . 19037 1 158 . 1 1 27 27 ARG HA H 1 4.239 0.020 . 1 . . . . 380 ARG HA . 19037 1 159 . 1 1 27 27 ARG C C 13 176.500 0.300 . 1 . . . . 380 ARG C . 19037 1 160 . 1 1 27 27 ARG CA C 13 56.877 0.300 . 1 . . . . 380 ARG CA . 19037 1 161 . 1 1 27 27 ARG CB C 13 30.559 0.300 . 1 . . . . 380 ARG CB . 19037 1 162 . 1 1 27 27 ARG N N 15 123.743 0.300 . 1 . . . . 380 ARG N . 19037 1 163 . 1 1 28 28 GLU H H 1 8.485 0.020 . 1 . . . . 381 GLU H . 19037 1 164 . 1 1 28 28 GLU HA H 1 4.200 0.020 . 1 . . . . 381 GLU HA . 19037 1 165 . 1 1 28 28 GLU CA C 13 57.633 0.300 . 1 . . . . 381 GLU CA . 19037 1 166 . 1 1 28 28 GLU CB C 13 29.899 0.300 . 1 . . . . 381 GLU CB . 19037 1 167 . 1 1 28 28 GLU N N 15 125.397 0.300 . 1 . . . . 381 GLU N . 19037 1 168 . 1 1 29 29 GLN H H 1 8.289 0.020 . 1 . . . . 382 GLN H . 19037 1 169 . 1 1 29 29 GLN HA H 1 4.221 0.020 . 1 . . . . 382 GLN HA . 19037 1 170 . 1 1 29 29 GLN C C 13 176.459 0.300 . 1 . . . . 382 GLN C . 19037 1 171 . 1 1 29 29 GLN CA C 13 56.781 0.300 . 1 . . . . 382 GLN CA . 19037 1 172 . 1 1 29 29 GLN CB C 13 29.085 0.300 . 1 . . . . 382 GLN CB . 19037 1 173 . 1 1 29 29 GLN N N 15 122.811 0.300 . 1 . . . . 382 GLN N . 19037 1 174 . 1 1 30 30 VAL H H 1 8.114 0.020 . 1 . . . . 383 VAL H . 19037 1 175 . 1 1 30 30 VAL HA H 1 4.107 0.020 . 1 . . . . 383 VAL HA . 19037 1 176 . 1 1 30 30 VAL C C 13 175.690 0.300 . 1 . . . . 383 VAL C . 19037 1 177 . 1 1 30 30 VAL CA C 13 62.545 0.300 . 1 . . . . 383 VAL CA . 19037 1 178 . 1 1 30 30 VAL CB C 13 32.345 0.300 . 1 . . . . 383 VAL CB . 19037 1 179 . 1 1 30 30 VAL N N 15 122.156 0.300 . 1 . . . . 383 VAL N . 19037 1 180 . 1 1 31 31 ASP H H 1 8.439 0.020 . 1 . . . . 384 ASP H . 19037 1 181 . 1 1 31 31 ASP HA H 1 4.499 0.020 . 1 . . . . 384 ASP HA . 19037 1 182 . 1 1 31 31 ASP C C 13 176.450 0.300 . 1 . . . . 384 ASP C . 19037 1 183 . 1 1 31 31 ASP CA C 13 54.782 0.300 . 1 . . . . 384 ASP CA . 19037 1 184 . 1 1 31 31 ASP CB C 13 40.956 0.300 . 1 . . . . 384 ASP CB . 19037 1 185 . 1 1 31 31 ASP N N 15 124.019 0.300 . 1 . . . . 384 ASP N . 19037 1 186 . 1 1 32 32 LYS H H 1 8.358 0.020 . 1 . . . . 385 LYS H . 19037 1 187 . 1 1 32 32 LYS HA H 1 4.210 0.020 . 1 . . . . 385 LYS HA . 19037 1 188 . 1 1 32 32 LYS C C 13 176.805 0.300 . 1 . . . . 385 LYS C . 19037 1 189 . 1 1 32 32 LYS CA C 13 57.075 0.300 . 1 . . . . 385 LYS CA . 19037 1 190 . 1 1 32 32 LYS CB C 13 31.617 0.300 . 1 . . . . 385 LYS CB . 19037 1 191 . 1 1 32 32 LYS N N 15 122.064 0.300 . 1 . . . . 385 LYS N . 19037 1 192 . 1 1 33 33 GLU H H 1 8.342 0.020 . 1 . . . . 386 GLU H . 19037 1 193 . 1 1 33 33 GLU HA H 1 4.164 0.020 . 1 . . . . 386 GLU HA . 19037 1 194 . 1 1 33 33 GLU C C 13 176.210 0.300 . 1 . . . . 386 GLU C . 19037 1 195 . 1 1 33 33 GLU CA C 13 57.652 0.300 . 1 . . . . 386 GLU CA . 19037 1 196 . 1 1 33 33 GLU CB C 13 29.862 0.300 . 1 . . . . 386 GLU CB . 19037 1 197 . 1 1 33 33 GLU N N 15 121.636 0.300 . 1 . . . . 386 GLU N . 19037 1 198 . 1 1 34 34 LEU H H 1 7.919 0.020 . 1 . . . . 387 LEU H . 19037 1 199 . 1 1 34 34 LEU HA H 1 4.239 0.020 . 1 . . . . 387 LEU HA . 19037 1 200 . 1 1 34 34 LEU C C 13 177.221 0.300 . 1 . . . . 387 LEU C . 19037 1 201 . 1 1 34 34 LEU CA C 13 55.745 0.300 . 1 . . . . 387 LEU CA . 19037 1 202 . 1 1 34 34 LEU CB C 13 42.182 0.300 . 1 . . . . 387 LEU CB . 19037 1 203 . 1 1 34 34 LEU N N 15 122.679 0.300 . 1 . . . . 387 LEU N . 19037 1 204 . 1 1 35 35 ASP H H 1 7.826 0.020 . 1 . . . . 388 ASP H . 19037 1 205 . 1 1 35 35 ASP HA H 1 4.530 0.020 . 1 . . . . 388 ASP HA . 19037 1 206 . 1 1 35 35 ASP C C 13 176.689 0.300 . 1 . . . . 388 ASP C . 19037 1 207 . 1 1 35 35 ASP CA C 13 54.867 0.300 . 1 . . . . 388 ASP CA . 19037 1 208 . 1 1 35 35 ASP CB C 13 40.660 0.300 . 1 . . . . 388 ASP CB . 19037 1 209 . 1 1 35 35 ASP N N 15 122.983 0.300 . 1 . . . . 388 ASP N . 19037 1 210 . 1 1 36 36 ARG H H 1 7.986 0.020 . 1 . . . . 389 ARG H . 19037 1 211 . 1 1 36 36 ARG HA H 1 4.314 0.020 . 1 . . . . 389 ARG HA . 19037 1 212 . 1 1 36 36 ARG C C 13 176.604 0.300 . 1 . . . . 389 ARG C . 19037 1 213 . 1 1 36 36 ARG CA C 13 56.896 0.300 . 1 . . . . 389 ARG CA . 19037 1 214 . 1 1 36 36 ARG CB C 13 30.707 0.300 . 1 . . . . 389 ARG CB . 19037 1 215 . 1 1 36 36 ARG N N 15 122.655 0.300 . 1 . . . . 389 ARG N . 19037 1 216 . 1 1 37 37 ALA H H 1 8.119 0.020 . 1 . . . . 390 ALA H . 19037 1 217 . 1 1 37 37 ALA HA H 1 4.241 0.020 . 1 . . . . 390 ALA HA . 19037 1 218 . 1 1 37 37 ALA C C 13 177.753 0.300 . 1 . . . . 390 ALA C . 19037 1 219 . 1 1 37 37 ALA CA C 13 53.274 0.300 . 1 . . . . 390 ALA CA . 19037 1 220 . 1 1 37 37 ALA CB C 13 18.947 0.300 . 1 . . . . 390 ALA CB . 19037 1 221 . 1 1 37 37 ALA N N 15 123.603 0.300 . 1 . . . . 390 ALA N . 19037 1 222 . 1 1 38 38 SER H H 1 8.155 0.020 . 1 . . . . 391 SER H . 19037 1 223 . 1 1 38 38 SER HA H 1 4.497 0.020 . 1 . . . . 391 SER HA . 19037 1 224 . 1 1 38 38 SER C C 13 174.704 0.300 . 1 . . . . 391 SER C . 19037 1 225 . 1 1 38 38 SER CA C 13 58.744 0.300 . 1 . . . . 391 SER CA . 19037 1 226 . 1 1 38 38 SER CB C 13 63.806 0.300 . 1 . . . . 391 SER CB . 19037 1 227 . 1 1 38 38 SER N N 15 117.080 0.300 . 1 . . . . 391 SER N . 19037 1 228 . 1 1 39 39 ASN H H 1 8.231 0.020 . 1 . . . . 392 ASN H . 19037 1 229 . 1 1 39 39 ASN HA H 1 4.700 0.020 . 1 . . . . 392 ASN HA . 19037 1 230 . 1 1 39 39 ASN C C 13 175.353 0.300 . 1 . . . . 392 ASN C . 19037 1 231 . 1 1 39 39 ASN CA C 13 53.482 0.300 . 1 . . . . 392 ASN CA . 19037 1 232 . 1 1 39 39 ASN N N 15 117.593 0.300 . 1 . . . . 392 ASN N . 19037 1 233 . 1 1 40 40 SER H H 1 8.323 0.020 . 1 . . . . 393 SER H . 19037 1 234 . 1 1 40 40 SER HA H 1 4.430 0.020 . 1 . . . . 393 SER HA . 19037 1 235 . 1 1 40 40 SER C C 13 174.644 0.300 . 1 . . . . 393 SER C . 19037 1 236 . 1 1 40 40 SER CA C 13 58.670 0.300 . 1 . . . . 393 SER CA . 19037 1 237 . 1 1 40 40 SER CB C 13 63.890 0.300 . 1 . . . . 393 SER CB . 19037 1 238 . 1 1 40 40 SER N N 15 118.099 0.300 . 1 . . . . 393 SER N . 19037 1 239 . 1 1 41 41 LEU H H 1 8.280 0.020 . 1 . . . . 394 LEU H . 19037 1 240 . 1 1 41 41 LEU HA H 1 4.330 0.020 . 1 . . . . 394 LEU HA . 19037 1 241 . 1 1 41 41 LEU C C 13 177.070 0.300 . 1 . . . . 394 LEU C . 19037 1 242 . 1 1 41 41 LEU CA C 13 55.635 0.300 . 1 . . . . 394 LEU CA . 19037 1 243 . 1 1 41 41 LEU CB C 13 42.235 0.300 . 1 . . . . 394 LEU CB . 19037 1 244 . 1 1 41 41 LEU N N 15 124.084 0.300 . 1 . . . . 394 LEU N . 19037 1 245 . 1 1 42 42 ILE H H 1 8.019 0.020 . 1 . . . . 395 ILE H . 19037 1 246 . 1 1 42 42 ILE HA H 1 4.200 0.020 . 1 . . . . 395 ILE HA . 19037 1 247 . 1 1 42 42 ILE C C 13 175.943 0.300 . 1 . . . . 395 ILE C . 19037 1 248 . 1 1 42 42 ILE CA C 13 61.583 0.300 . 1 . . . . 395 ILE CA . 19037 1 249 . 1 1 42 42 ILE CB C 13 38.623 0.300 . 1 . . . . 395 ILE CB . 19037 1 250 . 1 1 42 42 ILE N N 15 121.889 0.300 . 1 . . . . 395 ILE N . 19037 1 251 . 1 1 43 43 SER H H 1 8.362 0.020 . 1 . . . . 396 SER H . 19037 1 252 . 1 1 43 43 SER HA H 1 4.490 0.020 . 1 . . . . 396 SER HA . 19037 1 253 . 1 1 43 43 SER C C 13 174.699 0.300 . 1 . . . . 396 SER C . 19037 1 254 . 1 1 43 43 SER CA C 13 59.381 0.300 . 1 . . . . 396 SER CA . 19037 1 255 . 1 1 43 43 SER CB C 13 63.831 0.300 . 1 . . . . 396 SER CB . 19037 1 256 . 1 1 43 43 SER N N 15 119.566 0.300 . 1 . . . . 396 SER N . 19037 1 257 . 1 1 44 44 GLY H H 1 8.396 0.020 . 1 . . . . 397 GLY H . 19037 1 258 . 1 1 44 44 GLY HA2 H 1 3.937 0.020 . 1 . . . . 397 GLY HA2 . 19037 1 259 . 1 1 44 44 GLY HA3 H 1 3.937 0.020 . 1 . . . . 397 GLY HA3 . 19037 1 260 . 1 1 44 44 GLY CA C 13 45.291 0.300 . 1 . . . . 397 GLY CA . 19037 1 261 . 1 1 44 44 GLY N N 15 113.557 0.300 . 1 . . . . 397 GLY N . 19037 1 262 . 1 1 45 45 LEU H H 1 8.312 0.020 . 1 . . . . 398 LEU H . 19037 1 263 . 1 1 45 45 LEU HA H 1 4.272 0.020 . 1 . . . . 398 LEU HA . 19037 1 264 . 1 1 45 45 LEU C C 13 177.032 0.300 . 1 . . . . 398 LEU C . 19037 1 265 . 1 1 45 45 LEU CA C 13 55.732 0.300 . 1 . . . . 398 LEU CA . 19037 1 266 . 1 1 45 45 LEU CB C 13 42.276 0.300 . 1 . . . . 398 LEU CB . 19037 1 267 . 1 1 45 45 LEU N N 15 121.779 0.300 . 1 . . . . 398 LEU N . 19037 1 268 . 1 1 46 46 SER H H 1 8.287 0.020 . 1 . . . . 399 SER H . 19037 1 269 . 1 1 46 46 SER HA H 1 4.450 0.020 . 1 . . . . 399 SER HA . 19037 1 270 . 1 1 46 46 SER C C 13 174.710 0.300 . 1 . . . . 399 SER C . 19037 1 271 . 1 1 46 46 SER CA C 13 58.670 0.300 . 1 . . . . 399 SER CA . 19037 1 272 . 1 1 46 46 SER N N 15 120.135 0.300 . 1 . . . . 399 SER N . 19037 1 273 . 1 1 47 47 GLN H H 1 8.530 0.020 . 1 . . . . 400 GLN H . 19037 1 274 . 1 1 47 47 GLN HA H 1 4.299 0.020 . 1 . . . . 400 GLN HA . 19037 1 275 . 1 1 47 47 GLN C C 13 176.366 0.300 . 1 . . . . 400 GLN C . 19037 1 276 . 1 1 47 47 GLN CA C 13 56.555 0.300 . 1 . . . . 400 GLN CA . 19037 1 277 . 1 1 47 47 GLN N N 15 123.112 0.300 . 1 . . . . 400 GLN N . 19037 1 278 . 1 1 48 48 ASP H H 1 8.396 0.020 . 1 . . . . 401 ASP H . 19037 1 279 . 1 1 48 48 ASP HA H 1 4.604 0.020 . 1 . . . . 401 ASP HA . 19037 1 280 . 1 1 48 48 ASP C C 13 176.494 0.300 . 1 . . . . 401 ASP C . 19037 1 281 . 1 1 48 48 ASP N N 15 119.172 0.300 . 1 . . . . 401 ASP N . 19037 1 282 . 1 1 49 49 GLU H H 1 8.303 0.020 . 1 . . . . 402 GLU H . 19037 1 283 . 1 1 49 49 GLU HA H 1 4.211 0.020 . 1 . . . . 402 GLU HA . 19037 1 284 . 1 1 49 49 GLU C C 13 177.040 0.300 . 1 . . . . 402 GLU C . 19037 1 285 . 1 1 49 49 GLU CA C 13 56.441 0.300 . 1 . . . . 402 GLU CA . 19037 1 286 . 1 1 49 49 GLU CB C 13 28.977 0.300 . 1 . . . . 402 GLU CB . 19037 1 287 . 1 1 49 49 GLU N N 15 121.976 0.300 . 1 . . . . 402 GLU N . 19037 1 288 . 1 1 50 50 GLU H H 1 8.203 0.020 . 1 . . . . 403 GLU H . 19037 1 289 . 1 1 50 50 GLU N N 15 121.114 0.300 . 1 . . . . 403 GLU N . 19037 1 290 . 1 1 59 59 MET H H 1 8.231 0.020 . 1 . . . . 412 MET H . 19037 1 291 . 1 1 59 59 MET HA H 1 4.372 0.020 . 1 . . . . 412 MET HA . 19037 1 292 . 1 1 59 59 MET C C 13 176.660 0.300 . 1 . . . . 412 MET C . 19037 1 293 . 1 1 59 59 MET CA C 13 56.121 0.300 . 1 . . . . 412 MET CA . 19037 1 294 . 1 1 59 59 MET CB C 13 33.164 0.300 . 1 . . . . 412 MET CB . 19037 1 295 . 1 1 59 59 MET N N 15 122.589 0.300 . 1 . . . . 412 MET N . 19037 1 296 . 1 1 60 60 ASN H H 1 8.476 0.020 . 1 . . . . 413 ASN H . 19037 1 297 . 1 1 60 60 ASN HA H 1 4.622 0.020 . 1 . . . . 413 ASN HA . 19037 1 298 . 1 1 60 60 ASN C C 13 175.371 0.300 . 1 . . . . 413 ASN C . 19037 1 299 . 1 1 60 60 ASN CA C 13 53.599 0.300 . 1 . . . . 413 ASN CA . 19037 1 300 . 1 1 60 60 ASN CB C 13 38.666 0.300 . 1 . . . . 413 ASN CB . 19037 1 301 . 1 1 60 60 ASN N N 15 121.051 0.300 . 1 . . . . 413 ASN N . 19037 1 302 . 1 1 61 61 SER H H 1 8.250 0.020 . 1 . . . . 414 SER H . 19037 1 303 . 1 1 61 61 SER HA H 1 4.495 0.020 . 1 . . . . 414 SER HA . 19037 1 304 . 1 1 61 61 SER C C 13 175.681 0.300 . 1 . . . . 414 SER C . 19037 1 305 . 1 1 61 61 SER CA C 13 58.626 0.300 . 1 . . . . 414 SER CA . 19037 1 306 . 1 1 61 61 SER CB C 13 63.820 0.300 . 1 . . . . 414 SER CB . 19037 1 307 . 1 1 61 61 SER N N 15 121.747 0.300 . 1 . . . . 414 SER N . 19037 1 308 . 1 1 62 62 LEU H H 1 8.174 0.020 . 1 . . . . 415 LEU H . 19037 1 309 . 1 1 62 62 LEU HA H 1 4.302 0.020 . 1 . . . . 415 LEU HA . 19037 1 310 . 1 1 62 62 LEU C C 13 177.112 0.300 . 1 . . . . 415 LEU C . 19037 1 311 . 1 1 62 62 LEU CA C 13 55.626 0.300 . 1 . . . . 415 LEU CA . 19037 1 312 . 1 1 62 62 LEU CB C 13 42.267 0.300 . 1 . . . . 415 LEU CB . 19037 1 313 . 1 1 62 62 LEU N N 15 117.903 0.300 . 1 . . . . 415 LEU N . 19037 1 314 . 1 1 63 63 VAL H H 1 8.353 0.020 . 1 . . . . 416 VAL H . 19037 1 315 . 1 1 63 63 VAL HA H 1 4.166 0.020 . 1 . . . . 416 VAL HA . 19037 1 316 . 1 1 63 63 VAL CA C 13 62.448 0.300 . 1 . . . . 416 VAL CA . 19037 1 317 . 1 1 63 63 VAL CB C 13 32.650 0.300 . 1 . . . . 416 VAL CB . 19037 1 318 . 1 1 63 63 VAL N N 15 120.855 0.300 . 1 . . . . 416 VAL N . 19037 1 319 . 1 1 64 64 ASP H H 1 8.516 0.020 . 1 . . . . 417 ASP H . 19037 1 320 . 1 1 64 64 ASP HA H 1 4.663 0.020 . 1 . . . . 417 ASP HA . 19037 1 321 . 1 1 64 64 ASP C C 13 176.446 0.300 . 1 . . . . 417 ASP C . 19037 1 322 . 1 1 64 64 ASP CA C 13 54.588 0.300 . 1 . . . . 417 ASP CA . 19037 1 323 . 1 1 64 64 ASP CB C 13 40.816 0.300 . 1 . . . . 417 ASP CB . 19037 1 324 . 1 1 64 64 ASP N N 15 122.979 0.300 . 1 . . . . 417 ASP N . 19037 1 325 . 1 1 65 65 GLU H H 1 8.069 0.020 . 1 . . . . 418 GLU H . 19037 1 326 . 1 1 65 65 GLU HA H 1 4.267 0.020 . 1 . . . . 418 GLU HA . 19037 1 327 . 1 1 65 65 GLU C C 13 177.039 0.300 . 1 . . . . 418 GLU C . 19037 1 328 . 1 1 65 65 GLU CA C 13 57.452 0.300 . 1 . . . . 418 GLU CA . 19037 1 329 . 1 1 65 65 GLU CB C 13 29.962 0.300 . 1 . . . . 418 GLU CB . 19037 1 330 . 1 1 65 65 GLU N N 15 122.277 0.300 . 1 . . . . 418 GLU N . 19037 1 331 . 1 1 66 66 CYS H H 1 7.980 0.020 . 1 . . . . 419 CYS H . 19037 1 332 . 1 1 66 66 CYS HA H 1 4.565 0.020 . 1 . . . . 419 CYS HA . 19037 1 333 . 1 1 66 66 CYS HB2 H 1 3.010 0.020 . 1 . . . . 419 CYS HB2 . 19037 1 334 . 1 1 66 66 CYS HB3 H 1 3.010 0.020 . 1 . . . . 419 CYS HB3 . 19037 1 335 . 1 1 66 66 CYS C C 13 174.806 0.300 . 1 . . . . 419 CYS C . 19037 1 336 . 1 1 66 66 CYS CA C 13 57.669 0.300 . 1 . . . . 419 CYS CA . 19037 1 337 . 1 1 66 66 CYS CB C 13 33.955 0.300 . 1 . . . . 419 CYS CB . 19037 1 338 . 1 1 66 66 CYS N N 15 128.006 0.300 . 1 . . . . 419 CYS N . 19037 1 339 . 1 1 67 67 PRO HA H 1 4.405 0.020 . 1 . . . . 420 PRO HA . 19037 1 340 . 1 1 67 67 PRO C C 13 176.729 0.300 . 1 . . . . 420 PRO C . 19037 1 341 . 1 1 67 67 PRO CA C 13 62.287 0.300 . 1 . . . . 420 PRO CA . 19037 1 342 . 1 1 67 67 PRO CB C 13 31.671 0.300 . 1 . . . . 420 PRO CB . 19037 1 343 . 1 1 68 68 LEU H H 1 8.085 0.020 . 1 . . . . 421 LEU H . 19037 1 344 . 1 1 68 68 LEU HA H 1 4.320 0.020 . 1 . . . . 421 LEU HA . 19037 1 345 . 1 1 68 68 LEU C C 13 176.077 0.300 . 1 . . . . 421 LEU C . 19037 1 346 . 1 1 68 68 LEU CA C 13 55.719 0.300 . 1 . . . . 421 LEU CA . 19037 1 347 . 1 1 68 68 LEU CB C 13 42.200 0.300 . 1 . . . . 421 LEU CB . 19037 1 348 . 1 1 68 68 LEU N N 15 121.338 0.300 . 1 . . . . 421 LEU N . 19037 1 349 . 1 1 69 69 ASP H H 1 8.288 0.020 . 1 . . . . 422 ASP H . 19037 1 350 . 1 1 69 69 ASP HA H 1 4.538 0.020 . 1 . . . . 422 ASP HA . 19037 1 351 . 1 1 69 69 ASP C C 13 175.617 0.300 . 1 . . . . 422 ASP C . 19037 1 352 . 1 1 69 69 ASP CA C 13 54.599 0.300 . 1 . . . . 422 ASP CA . 19037 1 353 . 1 1 69 69 ASP CB C 13 41.084 0.300 . 1 . . . . 422 ASP CB . 19037 1 354 . 1 1 69 69 ASP N N 15 122.424 0.300 . 1 . . . . 422 ASP N . 19037 1 355 . 1 1 70 70 GLN H H 1 8.108 0.020 . 1 . . . . 423 GLN H . 19037 1 356 . 1 1 70 70 GLN HA H 1 4.270 0.020 . 1 . . . . 423 GLN HA . 19037 1 357 . 1 1 70 70 GLN C C 13 177.765 0.300 . 1 . . . . 423 GLN C . 19037 1 358 . 1 1 70 70 GLN CA C 13 56.611 0.300 . 1 . . . . 423 GLN CA . 19037 1 359 . 1 1 70 70 GLN CB C 13 29.108 0.300 . 1 . . . . 423 GLN CB . 19037 1 360 . 1 1 70 70 GLN N N 15 122.964 0.300 . 1 . . . . 423 GLN N . 19037 1 361 . 1 1 71 71 GLY H H 1 8.521 0.020 . 1 . . . . 424 GLY H . 19037 1 362 . 1 1 71 71 GLY HA2 H 1 3.972 0.020 . 1 . . . . 424 GLY HA2 . 19037 1 363 . 1 1 71 71 GLY HA3 H 1 3.972 0.020 . 1 . . . . 424 GLY HA3 . 19037 1 364 . 1 1 71 71 GLY C C 13 174.071 0.300 . 1 . . . . 424 GLY C . 19037 1 365 . 1 1 71 71 GLY CA C 13 45.381 0.300 . 1 . . . . 424 GLY CA . 19037 1 366 . 1 1 71 71 GLY N N 15 111.725 0.300 . 1 . . . . 424 GLY N . 19037 1 367 . 1 1 72 72 LEU H H 1 8.300 0.020 . 1 . . . . 425 LEU H . 19037 1 368 . 1 1 72 72 LEU HA H 1 4.277 0.020 . 1 . . . . 425 LEU HA . 19037 1 369 . 1 1 72 72 LEU C C 13 177.254 0.300 . 1 . . . . 425 LEU C . 19037 1 370 . 1 1 72 72 LEU CA C 13 55.752 0.300 . 1 . . . . 425 LEU CA . 19037 1 371 . 1 1 72 72 LEU CB C 13 42.276 0.300 . 1 . . . . 425 LEU CB . 19037 1 372 . 1 1 72 72 LEU N N 15 124.168 0.300 . 1 . . . . 425 LEU N . 19037 1 373 . 1 1 73 73 PRO HA H 1 4.385 0.020 . 1 . . . . 426 PRO HA . 19037 1 374 . 1 1 73 73 PRO C C 13 176.933 0.300 . 1 . . . . 426 PRO C . 19037 1 375 . 1 1 73 73 PRO CA C 13 63.453 0.300 . 1 . . . . 426 PRO CA . 19037 1 376 . 1 1 73 73 PRO CB C 13 31.652 0.300 . 1 . . . . 426 PRO CB . 19037 1 377 . 1 1 74 74 LYS H H 1 8.565 0.020 . 1 . . . . 427 LYS H . 19037 1 378 . 1 1 74 74 LYS HA H 1 4.266 0.020 . 1 . . . . 427 LYS HA . 19037 1 379 . 1 1 74 74 LYS C C 13 176.966 0.300 . 1 . . . . 427 LYS C . 19037 1 380 . 1 1 74 74 LYS CA C 13 57.058 0.300 . 1 . . . . 427 LYS CA . 19037 1 381 . 1 1 74 74 LYS CB C 13 32.650 0.300 . 1 . . . . 427 LYS CB . 19037 1 382 . 1 1 74 74 LYS N N 15 125.115 0.300 . 1 . . . . 427 LYS N . 19037 1 383 . 1 1 75 75 LEU H H 1 7.896 0.020 . 1 . . . . 428 LEU H . 19037 1 384 . 1 1 75 75 LEU HA H 1 4.044 0.020 . 1 . . . . 428 LEU HA . 19037 1 385 . 1 1 75 75 LEU C C 13 177.311 0.300 . 1 . . . . 428 LEU C . 19037 1 386 . 1 1 75 75 LEU CA C 13 56.104 0.300 . 1 . . . . 428 LEU CA . 19037 1 387 . 1 1 75 75 LEU CB C 13 41.936 0.300 . 1 . . . . 428 LEU CB . 19037 1 388 . 1 1 75 75 LEU N N 15 122.336 0.300 . 1 . . . . 428 LEU N . 19037 1 389 . 1 1 76 76 SER H H 1 8.449 0.020 . 1 . . . . 429 SER H . 19037 1 390 . 1 1 76 76 SER HA H 1 4.338 0.020 . 1 . . . . 429 SER HA . 19037 1 391 . 1 1 76 76 SER HB2 H 1 3.795 0.020 . 1 . . . . 429 SER HB2 . 19037 1 392 . 1 1 76 76 SER HB3 H 1 3.795 0.020 . 1 . . . . 429 SER HB3 . 19037 1 393 . 1 1 76 76 SER C C 13 174.771 0.300 . 1 . . . . 429 SER C . 19037 1 394 . 1 1 76 76 SER CA C 13 58.949 0.300 . 1 . . . . 429 SER CA . 19037 1 395 . 1 1 76 76 SER CB C 13 63.620 0.300 . 1 . . . . 429 SER CB . 19037 1 396 . 1 1 76 76 SER N N 15 118.152 0.300 . 1 . . . . 429 SER N . 19037 1 397 . 1 1 77 77 ALA H H 1 8.064 0.020 . 1 . . . . 430 ALA H . 19037 1 398 . 1 1 77 77 ALA HA H 1 4.070 0.020 . 1 . . . . 430 ALA HA . 19037 1 399 . 1 1 77 77 ALA C C 13 177.975 0.300 . 1 . . . . 430 ALA C . 19037 1 400 . 1 1 77 77 ALA CA C 13 53.423 0.300 . 1 . . . . 430 ALA CA . 19037 1 401 . 1 1 77 77 ALA CB C 13 18.684 0.300 . 1 . . . . 430 ALA CB . 19037 1 402 . 1 1 77 77 ALA N N 15 124.970 0.300 . 1 . . . . 430 ALA N . 19037 1 403 . 1 1 78 78 GLU H H 1 8.038 0.020 . 1 . . . . 431 GLU H . 19037 1 404 . 1 1 78 78 GLU HA H 1 4.020 0.020 . 1 . . . . 431 GLU HA . 19037 1 405 . 1 1 78 78 GLU C C 13 177.177 0.300 . 1 . . . . 431 GLU C . 19037 1 406 . 1 1 78 78 GLU CA C 13 57.828 0.300 . 1 . . . . 431 GLU CA . 19037 1 407 . 1 1 78 78 GLU CB C 13 29.754 0.300 . 1 . . . . 431 GLU CB . 19037 1 408 . 1 1 78 78 GLU N N 15 124.177 0.300 . 1 . . . . 431 GLU N . 19037 1 409 . 1 1 79 79 ALA H H 1 8.113 0.020 . 1 . . . . 432 ALA H . 19037 1 410 . 1 1 79 79 ALA HA H 1 3.999 0.020 . 1 . . . . 432 ALA HA . 19037 1 411 . 1 1 79 79 ALA HB1 H 1 1.409 0.020 . 1 . . . . 432 ALA HB . 19037 1 412 . 1 1 79 79 ALA HB2 H 1 1.409 0.020 . 1 . . . . 432 ALA HB . 19037 1 413 . 1 1 79 79 ALA HB3 H 1 1.409 0.020 . 1 . . . . 432 ALA HB . 19037 1 414 . 1 1 79 79 ALA C C 13 178.167 0.300 . 1 . . . . 432 ALA C . 19037 1 415 . 1 1 79 79 ALA CA C 13 53.299 0.300 . 1 . . . . 432 ALA CA . 19037 1 416 . 1 1 79 79 ALA N N 15 124.208 0.300 . 1 . . . . 432 ALA N . 19037 1 417 . 1 1 80 80 VAL H H 1 7.875 0.020 . 1 . . . . 433 VAL H . 19037 1 418 . 1 1 80 80 VAL HA H 1 4.065 0.020 . 1 . . . . 433 VAL HA . 19037 1 419 . 1 1 80 80 VAL HB H 1 2.031 0.020 . 1 . . . . 433 VAL HB . 19037 1 420 . 1 1 80 80 VAL C C 13 176.070 0.300 . 1 . . . . 433 VAL C . 19037 1 421 . 1 1 80 80 VAL CA C 13 62.656 0.300 . 1 . . . . 433 VAL CA . 19037 1 422 . 1 1 80 80 VAL CB C 13 32.510 0.300 . 1 . . . . 433 VAL CB . 19037 1 423 . 1 1 80 80 VAL N N 15 118.673 0.300 . 1 . . . . 433 VAL N . 19037 1 424 . 1 1 81 81 PHE H H 1 7.940 0.020 . 1 . . . . 434 PHE H . 19037 1 425 . 1 1 81 81 PHE HA H 1 4.505 0.020 . 1 . . . . 434 PHE HA . 19037 1 426 . 1 1 81 81 PHE HB2 H 1 2.933 0.020 . 1 . . . . 434 PHE HB2 . 19037 1 427 . 1 1 81 81 PHE HB3 H 1 2.933 0.020 . 1 . . . . 434 PHE HB3 . 19037 1 428 . 1 1 81 81 PHE C C 13 176.503 0.300 . 1 . . . . 434 PHE C . 19037 1 429 . 1 1 81 81 PHE CA C 13 58.564 0.300 . 1 . . . . 434 PHE CA . 19037 1 430 . 1 1 81 81 PHE CB C 13 39.688 0.300 . 1 . . . . 434 PHE CB . 19037 1 431 . 1 1 81 81 PHE N N 15 121.282 0.300 . 1 . . . . 434 PHE N . 19037 1 432 . 1 1 82 82 GLU H H 1 8.650 0.020 . 1 . . . . 435 GLU H . 19037 1 433 . 1 1 82 82 GLU HA H 1 4.134 0.020 . 1 . . . . 435 GLU HA . 19037 1 434 . 1 1 82 82 GLU HB2 H 1 1.988 0.020 . 1 . . . . 435 GLU HB2 . 19037 1 435 . 1 1 82 82 GLU HB3 H 1 1.988 0.020 . 1 . . . . 435 GLU HB3 . 19037 1 436 . 1 1 82 82 GLU C C 13 177.198 0.300 . 1 . . . . 435 GLU C . 19037 1 437 . 1 1 82 82 GLU CA C 13 57.742 0.300 . 1 . . . . 435 GLU CA . 19037 1 438 . 1 1 82 82 GLU CB C 13 29.552 0.300 . 1 . . . . 435 GLU CB . 19037 1 439 . 1 1 82 82 GLU N N 15 120.477 0.300 . 1 . . . . 435 GLU N . 19037 1 440 . 1 1 83 83 LYS H H 1 7.957 0.020 . 1 . . . . 436 LYS H . 19037 1 441 . 1 1 83 83 LYS HA H 1 4.164 0.020 . 1 . . . . 436 LYS HA . 19037 1 442 . 1 1 83 83 LYS HB2 H 1 1.795 0.020 . 1 . . . . 436 LYS HB2 . 19037 1 443 . 1 1 83 83 LYS C C 13 177.000 0.300 . 1 . . . . 436 LYS C . 19037 1 444 . 1 1 83 83 LYS CA C 13 57.274 0.300 . 1 . . . . 436 LYS CA . 19037 1 445 . 1 1 83 83 LYS CB C 13 32.299 0.300 . 1 . . . . 436 LYS CB . 19037 1 446 . 1 1 83 83 LYS N N 15 121.663 0.300 . 1 . . . . 436 LYS N . 19037 1 447 . 1 1 84 84 CYS H H 1 8.237 0.020 . 1 . . . . 437 CYS H . 19037 1 448 . 1 1 84 84 CYS HA H 1 4.421 0.020 . 1 . . . . 437 CYS HA . 19037 1 449 . 1 1 84 84 CYS HB2 H 1 2.398 0.020 . 1 . . . . 437 CYS HB2 . 19037 1 450 . 1 1 84 84 CYS HB3 H 1 2.398 0.020 . 1 . . . . 437 CYS HB3 . 19037 1 451 . 1 1 84 84 CYS C C 13 175.121 0.300 . 1 . . . . 437 CYS C . 19037 1 452 . 1 1 84 84 CYS CA C 13 57.998 0.300 . 1 . . . . 437 CYS CA . 19037 1 453 . 1 1 84 84 CYS CB C 13 33.450 0.300 . 1 . . . . 437 CYS CB . 19037 1 454 . 1 1 84 84 CYS N N 15 122.516 0.300 . 1 . . . . 437 CYS N . 19037 1 455 . 1 1 85 85 SER H H 1 8.431 0.020 . 1 . . . . 438 SER H . 19037 1 456 . 1 1 85 85 SER HA H 1 4.376 0.020 . 1 . . . . 438 SER HA . 19037 1 457 . 1 1 85 85 SER HB2 H 1 3.858 0.020 . 1 . . . . 438 SER HB2 . 19037 1 458 . 1 1 85 85 SER HB3 H 1 3.858 0.020 . 1 . . . . 438 SER HB3 . 19037 1 459 . 1 1 85 85 SER C C 13 175.765 0.300 . 1 . . . . 438 SER C . 19037 1 460 . 1 1 85 85 SER CA C 13 59.000 0.300 . 1 . . . . 438 SER CA . 19037 1 461 . 1 1 85 85 SER CB C 13 63.616 0.300 . 1 . . . . 438 SER CB . 19037 1 462 . 1 1 85 85 SER N N 15 118.689 0.300 . 1 . . . . 438 SER N . 19037 1 463 . 1 1 86 86 GLN H H 1 8.333 0.020 . 1 . . . . 439 GLN H . 19037 1 464 . 1 1 86 86 GLN HA H 1 4.143 0.020 . 1 . . . . 439 GLN HA . 19037 1 465 . 1 1 86 86 GLN C C 13 175.453 0.300 . 1 . . . . 439 GLN C . 19037 1 466 . 1 1 86 86 GLN CA C 13 56.804 0.300 . 1 . . . . 439 GLN CA . 19037 1 467 . 1 1 86 86 GLN CB C 13 33.888 0.300 . 1 . . . . 439 GLN CB . 19037 1 468 . 1 1 86 86 GLN CG C 13 33.888 0.300 . 1 . . . . 439 GLN CG . 19037 1 469 . 1 1 86 86 GLN N N 15 122.708 0.300 . 1 . . . . 439 GLN N . 19037 1 470 . 1 1 87 87 ILE H H 1 7.878 0.020 . 1 . . . . 440 ILE H . 19037 1 471 . 1 1 87 87 ILE HA H 1 4.074 0.020 . 1 . . . . 440 ILE HA . 19037 1 472 . 1 1 87 87 ILE C C 13 176.053 0.300 . 1 . . . . 440 ILE C . 19037 1 473 . 1 1 87 87 ILE CA C 13 61.655 0.300 . 1 . . . . 440 ILE CA . 19037 1 474 . 1 1 87 87 ILE CB C 13 38.481 0.300 . 1 . . . . 440 ILE CB . 19037 1 475 . 1 1 87 87 ILE N N 15 121.517 0.300 . 1 . . . . 440 ILE N . 19037 1 476 . 1 1 88 88 SER H H 1 8.299 0.020 . 1 . . . . 441 SER H . 19037 1 477 . 1 1 88 88 SER HA H 1 4.595 0.020 . 1 . . . . 441 SER HA . 19037 1 478 . 1 1 88 88 SER C C 13 174.678 0.300 . 1 . . . . 441 SER C . 19037 1 479 . 1 1 88 88 SER CA C 13 58.668 0.300 . 1 . . . . 441 SER CA . 19037 1 480 . 1 1 88 88 SER CB C 13 63.877 0.300 . 1 . . . . 441 SER CB . 19037 1 481 . 1 1 88 88 SER N N 15 118.978 0.300 . 1 . . . . 441 SER N . 19037 1 482 . 1 1 89 89 LEU H H 1 8.427 0.020 . 1 . . . . 442 LEU H . 19037 1 483 . 1 1 89 89 LEU HA H 1 4.278 0.020 . 1 . . . . 442 LEU HA . 19037 1 484 . 1 1 89 89 LEU C C 13 176.985 0.300 . 1 . . . . 442 LEU C . 19037 1 485 . 1 1 89 89 LEU CA C 13 55.688 0.300 . 1 . . . . 442 LEU CA . 19037 1 486 . 1 1 89 89 LEU CB C 13 42.256 0.300 . 1 . . . . 442 LEU CB . 19037 1 487 . 1 1 89 89 LEU N N 15 124.292 0.300 . 1 . . . . 442 LEU N . 19037 1 488 . 1 1 90 90 SER H H 1 8.252 0.020 . 1 . . . . 443 SER H . 19037 1 489 . 1 1 90 90 SER HA H 1 4.517 0.020 . 1 . . . . 443 SER HA . 19037 1 490 . 1 1 90 90 SER C C 13 174.677 0.300 . 1 . . . . 443 SER C . 19037 1 491 . 1 1 90 90 SER CA C 13 58.648 0.300 . 1 . . . . 443 SER CA . 19037 1 492 . 1 1 90 90 SER CB C 13 63.773 0.300 . 1 . . . . 443 SER CB . 19037 1 493 . 1 1 90 90 SER N N 15 117.923 0.300 . 1 . . . . 443 SER N . 19037 1 494 . 1 1 91 91 GLN H H 1 8.250 0.020 . 1 . . . . 444 GLN H . 19037 1 495 . 1 1 91 91 GLN HA H 1 4.373 0.020 . 1 . . . . 444 GLN HA . 19037 1 496 . 1 1 91 91 GLN C C 13 175.448 0.300 . 1 . . . . 444 GLN C . 19037 1 497 . 1 1 91 91 GLN CA C 13 56.436 0.300 . 1 . . . . 444 GLN CA . 19037 1 498 . 1 1 91 91 GLN CB C 13 28.956 0.300 . 1 . . . . 444 GLN CB . 19037 1 499 . 1 1 91 91 GLN N N 15 119.918 0.300 . 1 . . . . 444 GLN N . 19037 1 500 . 1 1 92 92 SER H H 1 8.534 0.020 . 1 . . . . 445 SER H . 19037 1 501 . 1 1 92 92 SER C C 13 174.561 0.300 . 1 . . . . 445 SER C . 19037 1 502 . 1 1 92 92 SER CA C 13 58.748 0.300 . 1 . . . . 445 SER CA . 19037 1 503 . 1 1 92 92 SER CB C 13 63.773 0.300 . 1 . . . . 445 SER CB . 19037 1 504 . 1 1 92 92 SER N N 15 121.273 0.300 . 1 . . . . 445 SER N . 19037 1 505 . 1 1 93 93 THR H H 1 8.229 0.020 . 1 . . . . 446 THR H . 19037 1 506 . 1 1 93 93 THR HA H 1 4.433 0.020 . 1 . . . . 446 THR HA . 19037 1 507 . 1 1 93 93 THR CA C 13 61.155 0.300 . 1 . . . . 446 THR CA . 19037 1 508 . 1 1 93 93 THR CB C 13 69.674 0.300 . 1 . . . . 446 THR CB . 19037 1 509 . 1 1 93 93 THR N N 15 118.471 0.300 . 1 . . . . 446 THR N . 19037 1 510 . 1 1 94 94 THR H H 1 8.308 0.020 . 1 . . . . 447 THR H . 19037 1 511 . 1 1 94 94 THR HA H 1 4.442 0.020 . 1 . . . . 447 THR HA . 19037 1 512 . 1 1 94 94 THR HB H 1 4.197 0.020 . 1 . . . . 447 THR HB . 19037 1 513 . 1 1 94 94 THR CA C 13 61.160 0.300 . 1 . . . . 447 THR CA . 19037 1 514 . 1 1 94 94 THR CB C 13 69.600 0.300 . 1 . . . . 447 THR CB . 19037 1 515 . 1 1 94 94 THR N N 15 118.603 0.300 . 1 . . . . 447 THR N . 19037 1 516 . 1 1 95 95 ALA H H 1 8.468 0.020 . 1 . . . . 448 ALA H . 19037 1 517 . 1 1 95 95 ALA HA H 1 4.244 0.020 . 1 . . . . 448 ALA HA . 19037 1 518 . 1 1 95 95 ALA C C 13 177.755 0.300 . 1 . . . . 448 ALA C . 19037 1 519 . 1 1 95 95 ALA CA C 13 53.150 0.300 . 1 . . . . 448 ALA CA . 19037 1 520 . 1 1 95 95 ALA CB C 13 18.890 0.300 . 1 . . . . 448 ALA CB . 19037 1 521 . 1 1 95 95 ALA N N 15 123.599 0.300 . 1 . . . . 448 ALA N . 19037 1 522 . 1 1 96 96 SER H H 1 8.299 0.020 . 1 . . . . 449 SER H . 19037 1 523 . 1 1 96 96 SER HA H 1 4.420 0.020 . 1 . . . . 449 SER HA . 19037 1 524 . 1 1 96 96 SER C C 13 174.661 0.300 . 1 . . . . 449 SER C . 19037 1 525 . 1 1 96 96 SER CA C 13 58.670 0.300 . 1 . . . . 449 SER CA . 19037 1 526 . 1 1 96 96 SER CB C 13 63.800 0.300 . 1 . . . . 449 SER CB . 19037 1 527 . 1 1 96 96 SER N N 15 118.983 0.300 . 1 . . . . 449 SER N . 19037 1 528 . 1 1 97 97 LEU H H 1 8.377 0.020 . 1 . . . . 450 LEU H . 19037 1 529 . 1 1 97 97 LEU HA H 1 4.439 0.020 . 1 . . . . 450 LEU HA . 19037 1 530 . 1 1 97 97 LEU CA C 13 55.635 0.300 . 1 . . . . 450 LEU CA . 19037 1 531 . 1 1 97 97 LEU N N 15 122.235 0.300 . 1 . . . . 450 LEU N . 19037 1 532 . 1 1 98 98 SER H H 1 8.453 0.020 . 1 . . . . 451 SER H . 19037 1 533 . 1 1 98 98 SER HA H 1 4.422 0.020 . 1 . . . . 451 SER HA . 19037 1 534 . 1 1 98 98 SER N N 15 119.374 0.300 . 1 . . . . 451 SER N . 19037 1 stop_ save_