data_18398 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18398 _Entry.Title ; Solution Structure of the WNK1 Autoinhibitory Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-13 _Entry.Accession_date 2012-04-13 _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 Thomas Moon . M. . 18398 2 Fernando Correa . . . 18398 3 Kevin Gardner . H. . 18398 4 Elizabeth Goldsmith . J. . 18398 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18398 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'autoinhibitory domain' . 18398 'PF2 domain' . 18398 WNK1 . 18398 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18398 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 438 18398 '15N chemical shifts' 97 18398 '1H chemical shifts' 704 18398 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 . . 2013-04-19 2012-04-13 update BMRB 'update entry citation' 18398 1 . . 2012-04-24 2012-04-13 original author 'original release' 18398 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LRU 'BMRB Entry Tracking System' 18398 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18398 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23376100 _Citation.Full_citation . _Citation.Title 'Solution Structure of the WNK1 Autoinhibitory Domain, a WNK-Specific PF2 Domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 425 _Citation.Journal_issue 8 _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 1245 _Citation.Page_last 1252 _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 Thomas Moon . M. . 18398 1 2 Fernando Correa . . . 18398 1 3 Lisa Kinch . N. . 18398 1 4 Alexander Piala . T. . 18398 1 5 Kevin Gardner . H. . 18398 1 6 Elizabeth Goldsmith . J. . 18398 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18398 _Assembly.ID 1 _Assembly.Name 'WNK1 Autoinhibitory Domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'WNK1 Autoinhibitory Domain' 1 $WNKAI A . yes native no no . . . 18398 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WNKAI _Entity.Sf_category entity _Entity.Sf_framecode WNKAI _Entity.Entry_ID 18398 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name WNKAI _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMDPQEETGVRVELAEEDD GEKIAIKLWLRIEDIKKLKG KYKDNEAIEFSFDLERDVPE DVAQEMVESGYVCEGDHKTM AKAIKDRVSLIKRKREQR ; _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11358.971 _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 PDB 2LRU . "Solution Structure Of The Wnk1 Autoinhibitory Domain" . . . . . 100.00 98 100.00 100.00 8.86e-62 . . . . 18398 1 2 no DBJ BAA20802 . "KIAA0344 [Homo sapiens]" . . . . . 94.90 2066 100.00 100.00 6.35e-54 . . . . 18398 1 3 no DBJ BAD32213 . "mKIAA0344 protein [Mus musculus]" . . . . . 94.90 800 100.00 100.00 6.86e-50 . . . . 18398 1 4 no DBJ BAE21813 . "unnamed protein product [Mus musculus]" . . . . . 94.90 578 100.00 100.00 5.39e-54 . . . . 18398 1 5 no EMBL CAC15059 . "putative protein kinase [Homo sapiens]" . . . . . 94.90 2382 100.00 100.00 4.87e-55 . . . . 18398 1 6 no GB AAF31483 . "kinase deficient protein KDP [Homo sapiens]" . . . . . 94.90 670 100.00 100.00 3.92e-54 . . . . 18398 1 7 no GB AAF74258 . "protein kinase WNK1 [Rattus norvegicus]" . . . . . 94.90 2126 100.00 100.00 4.04e-54 . . . . 18398 1 8 no GB AAH30370 . "Wnk1 protein, partial [Mus musculus]" . . . . . 94.90 417 100.00 100.00 5.74e-51 . . . . 18398 1 9 no GB AAI28629 . "LOC100036683 protein [Xenopus (Silurana) tropicalis]" . . . . . 94.90 2102 98.92 100.00 2.77e-54 . . . . 18398 1 10 no GB AAI38446 . "Wnk1 protein [Mus musculus]" . . . . . 94.90 2128 100.00 100.00 6.18e-54 . . . . 18398 1 11 no REF NP_001002823 . "serine/threonine-protein kinase WNK1 isoform 1 [Rattus norvegicus]" . . . . . 94.90 2634 100.00 100.00 5.16e-55 . . . . 18398 1 12 no REF NP_001090703 . "serine/threonine-protein kinase WNK1 [Xenopus (Silurana) tropicalis]" . . . . . 94.90 2102 98.92 100.00 2.77e-54 . . . . 18398 1 13 no REF NP_001171914 . "serine/threonine-protein kinase WNK1 isoform 4 [Homo sapiens]" . . . . . 94.90 2642 100.00 100.00 5.17e-55 . . . . 18398 1 14 no REF NP_001171949 . "serine/threonine-protein kinase WNK1 isoform 2 [Mus musculus]" . . . . . 94.90 2128 100.00 100.00 6.18e-54 . . . . 18398 1 15 no REF NP_001171950 . "serine/threonine-protein kinase WNK1 isoform 3 [Mus musculus]" . . . . . 94.90 2195 100.00 100.00 1.82e-54 . . . . 18398 1 16 no SP P83741 . "RecName: Full=Serine/threonine-protein kinase WNK1; AltName: Full=Protein kinase lysine-deficient 1; AltName: Full=Protein kina" . . . . . 94.90 2377 100.00 100.00 4.86e-55 . . . . 18398 1 17 no SP Q9H4A3 . "RecName: Full=Serine/threonine-protein kinase WNK1; AltName: Full=Erythrocyte 65 kDa protein; Short=p65; AltName: Full=Kinase d" . . . . . 94.90 2382 100.00 100.00 4.87e-55 . . . . 18398 1 18 no SP Q9JIH7 . "RecName: Full=Serine/threonine-protein kinase WNK1; AltName: Full=Protein kinase lysine-deficient 1; AltName: Full=Protein kina" . . . . . 94.90 2126 100.00 100.00 4.16e-54 . . . . 18398 1 19 no TPG DAA29175 . "TPA: WNK lysine deficient protein kinase 1 [Bos taurus]" . . . . . 94.90 2376 97.85 100.00 4.71e-54 . . . . 18398 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 1 475 GLY . 18398 1 2 476 ALA . 18398 1 3 477 MET . 18398 1 4 478 ASP . 18398 1 5 479 PRO . 18398 1 6 480 GLN . 18398 1 7 481 GLU . 18398 1 8 482 GLU . 18398 1 9 483 THR . 18398 1 10 484 GLY . 18398 1 11 485 VAL . 18398 1 12 486 ARG . 18398 1 13 487 VAL . 18398 1 14 488 GLU . 18398 1 15 489 LEU . 18398 1 16 490 ALA . 18398 1 17 491 GLU . 18398 1 18 492 GLU . 18398 1 19 493 ASP . 18398 1 20 494 ASP . 18398 1 21 495 GLY . 18398 1 22 496 GLU . 18398 1 23 497 LYS . 18398 1 24 498 ILE . 18398 1 25 499 ALA . 18398 1 26 500 ILE . 18398 1 27 501 LYS . 18398 1 28 502 LEU . 18398 1 29 503 TRP . 18398 1 30 504 LEU . 18398 1 31 505 ARG . 18398 1 32 506 ILE . 18398 1 33 507 GLU . 18398 1 34 508 ASP . 18398 1 35 509 ILE . 18398 1 36 510 LYS . 18398 1 37 511 LYS . 18398 1 38 512 LEU . 18398 1 39 513 LYS . 18398 1 40 514 GLY . 18398 1 41 515 LYS . 18398 1 42 516 TYR . 18398 1 43 517 LYS . 18398 1 44 518 ASP . 18398 1 45 519 ASN . 18398 1 46 520 GLU . 18398 1 47 521 ALA . 18398 1 48 522 ILE . 18398 1 49 523 GLU . 18398 1 50 524 PHE . 18398 1 51 525 SER . 18398 1 52 526 PHE . 18398 1 53 527 ASP . 18398 1 54 528 LEU . 18398 1 55 529 GLU . 18398 1 56 530 ARG . 18398 1 57 531 ASP . 18398 1 58 532 VAL . 18398 1 59 533 PRO . 18398 1 60 534 GLU . 18398 1 61 535 ASP . 18398 1 62 536 VAL . 18398 1 63 537 ALA . 18398 1 64 538 GLN . 18398 1 65 539 GLU . 18398 1 66 540 MET . 18398 1 67 541 VAL . 18398 1 68 542 GLU . 18398 1 69 543 SER . 18398 1 70 544 GLY . 18398 1 71 545 TYR . 18398 1 72 546 VAL . 18398 1 73 547 CYS . 18398 1 74 548 GLU . 18398 1 75 549 GLY . 18398 1 76 550 ASP . 18398 1 77 551 HIS . 18398 1 78 552 LYS . 18398 1 79 553 THR . 18398 1 80 554 MET . 18398 1 81 555 ALA . 18398 1 82 556 LYS . 18398 1 83 557 ALA . 18398 1 84 558 ILE . 18398 1 85 559 LYS . 18398 1 86 560 ASP . 18398 1 87 561 ARG . 18398 1 88 562 VAL . 18398 1 89 563 SER . 18398 1 90 564 LEU . 18398 1 91 565 ILE . 18398 1 92 566 LYS . 18398 1 93 567 ARG . 18398 1 94 568 LYS . 18398 1 95 569 ARG . 18398 1 96 570 GLU . 18398 1 97 571 GLN . 18398 1 98 572 ARG . 18398 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18398 1 . ALA 2 2 18398 1 . MET 3 3 18398 1 . ASP 4 4 18398 1 . PRO 5 5 18398 1 . GLN 6 6 18398 1 . GLU 7 7 18398 1 . GLU 8 8 18398 1 . THR 9 9 18398 1 . GLY 10 10 18398 1 . VAL 11 11 18398 1 . ARG 12 12 18398 1 . VAL 13 13 18398 1 . GLU 14 14 18398 1 . LEU 15 15 18398 1 . ALA 16 16 18398 1 . GLU 17 17 18398 1 . GLU 18 18 18398 1 . ASP 19 19 18398 1 . ASP 20 20 18398 1 . GLY 21 21 18398 1 . GLU 22 22 18398 1 . LYS 23 23 18398 1 . ILE 24 24 18398 1 . ALA 25 25 18398 1 . ILE 26 26 18398 1 . LYS 27 27 18398 1 . LEU 28 28 18398 1 . TRP 29 29 18398 1 . LEU 30 30 18398 1 . ARG 31 31 18398 1 . ILE 32 32 18398 1 . GLU 33 33 18398 1 . ASP 34 34 18398 1 . ILE 35 35 18398 1 . LYS 36 36 18398 1 . LYS 37 37 18398 1 . LEU 38 38 18398 1 . LYS 39 39 18398 1 . GLY 40 40 18398 1 . LYS 41 41 18398 1 . TYR 42 42 18398 1 . LYS 43 43 18398 1 . ASP 44 44 18398 1 . ASN 45 45 18398 1 . GLU 46 46 18398 1 . ALA 47 47 18398 1 . ILE 48 48 18398 1 . GLU 49 49 18398 1 . PHE 50 50 18398 1 . SER 51 51 18398 1 . PHE 52 52 18398 1 . ASP 53 53 18398 1 . LEU 54 54 18398 1 . GLU 55 55 18398 1 . ARG 56 56 18398 1 . ASP 57 57 18398 1 . VAL 58 58 18398 1 . PRO 59 59 18398 1 . GLU 60 60 18398 1 . ASP 61 61 18398 1 . VAL 62 62 18398 1 . ALA 63 63 18398 1 . GLN 64 64 18398 1 . GLU 65 65 18398 1 . MET 66 66 18398 1 . VAL 67 67 18398 1 . GLU 68 68 18398 1 . SER 69 69 18398 1 . GLY 70 70 18398 1 . TYR 71 71 18398 1 . VAL 72 72 18398 1 . CYS 73 73 18398 1 . GLU 74 74 18398 1 . GLY 75 75 18398 1 . ASP 76 76 18398 1 . HIS 77 77 18398 1 . LYS 78 78 18398 1 . THR 79 79 18398 1 . MET 80 80 18398 1 . ALA 81 81 18398 1 . LYS 82 82 18398 1 . ALA 83 83 18398 1 . ILE 84 84 18398 1 . LYS 85 85 18398 1 . ASP 86 86 18398 1 . ARG 87 87 18398 1 . VAL 88 88 18398 1 . SER 89 89 18398 1 . LEU 90 90 18398 1 . ILE 91 91 18398 1 . LYS 92 92 18398 1 . ARG 93 93 18398 1 . LYS 94 94 18398 1 . ARG 95 95 18398 1 . GLU 96 96 18398 1 . GLN 97 97 18398 1 . ARG 98 98 18398 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 18398 _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 $WNKAI . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 18398 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 18398 _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 $WNKAI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pHis-parallel . . . . . . 18398 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18398 _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 WNKAI '[U-100% 13C; U-100% 15N]' . . 1 $WNKAI . . 0.65 . . mM . . . . 18398 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 18398 _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' 0.010 . M 18398 1 pH 6.5 . pH 18398 1 pressure 1 . atm 18398 1 temperature 308 . K 18398 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18398 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18398 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18398 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18398 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18398 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18398 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18398 _Software.ID 3 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18398 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18398 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_INOVA _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_INOVA _NMR_spectrometer.Entry_ID 18398 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 18398 _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 Varian_INOVA Varian INOVA . 800 . . . 18398 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 18398 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 18398 1 2 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 18398 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 18398 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 18398 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 18398 1 6 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 18398 1 7 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 18398 1 8 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 18398 1 9 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian_INOVA . . . . . . . . . . . . . . . . 18398 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 18398 _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 $Varian_INOVA _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 . _NMR_spec_expt.Software_label . _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 18398 _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 . . . . . . . . . 18398 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18398 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18398 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 18398 _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' . . . 18398 1 2 '3D HCCH-TOCSY' . . . 18398 1 3 '3D CBCA(CO)NH' . . . 18398 1 4 '3D HNCO' . . . 18398 1 5 '3D HNCACB' . . . 18398 1 6 '3D H(CCO)NH' . . . 18398 1 7 '3D C(CO)NH' . . . 18398 1 8 '3D 1H-15N NOESY' . . . 18398 1 9 '3D 1H-13C NOESY' . . . 18398 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 2 2 ALA HA H 1 4.280 0.03 . 1 . . . . 476 ALA HA . 18398 1 2 . 1 1 2 2 ALA HB1 H 1 1.398 0.03 . 1 . . . . 476 ALA HB1 . 18398 1 3 . 1 1 2 2 ALA HB2 H 1 1.398 0.03 . 1 . . . . 476 ALA HB2 . 18398 1 4 . 1 1 2 2 ALA HB3 H 1 1.398 0.03 . 1 . . . . 476 ALA HB3 . 18398 1 5 . 1 1 2 2 ALA C C 13 177.894 0.3 . 1 . . . . 476 ALA C . 18398 1 6 . 1 1 2 2 ALA CA C 13 53.384 0.3 . 1 . . . . 476 ALA CA . 18398 1 7 . 1 1 2 2 ALA CB C 13 19.520 0.3 . 1 . . . . 476 ALA CB . 18398 1 8 . 1 1 3 3 MET H H 1 8.425 0.03 . 1 . . . . 477 MET HN . 18398 1 9 . 1 1 3 3 MET HA H 1 4.455 0.03 . 1 . . . . 477 MET HA . 18398 1 10 . 1 1 3 3 MET HB2 H 1 1.990 0.03 . 2 . . . . 477 MET HB2 . 18398 1 11 . 1 1 3 3 MET HB3 H 1 2.121 0.03 . 2 . . . . 477 MET HB3 . 18398 1 12 . 1 1 3 3 MET HG2 H 1 2.523 0.03 . 2 . . . . 477 MET HG2 . 18398 1 13 . 1 1 3 3 MET HG3 H 1 2.607 0.03 . 2 . . . . 477 MET HG3 . 18398 1 14 . 1 1 3 3 MET C C 13 175.772 0.3 . 1 . . . . 477 MET C . 18398 1 15 . 1 1 3 3 MET CA C 13 55.261 0.3 . 1 . . . . 477 MET CA . 18398 1 16 . 1 1 3 3 MET CB C 13 32.951 0.3 . 1 . . . . 477 MET CB . 18398 1 17 . 1 1 3 3 MET CG C 13 32.330 0.3 . 1 . . . . 477 MET CG . 18398 1 18 . 1 1 3 3 MET N N 15 118.069 0.3 . 1 . . . . 477 MET N . 18398 1 19 . 1 1 4 4 ASP H H 1 8.100 0.03 . 1 . . . . 478 ASP HN . 18398 1 20 . 1 1 4 4 ASP HA H 1 4.874 0.03 . 1 . . . . 478 ASP HA . 18398 1 21 . 1 1 4 4 ASP HB2 H 1 2.554 0.03 . 2 . . . . 478 ASP HB2 . 18398 1 22 . 1 1 4 4 ASP HB3 H 1 2.735 0.03 . 2 . . . . 478 ASP HB3 . 18398 1 23 . 1 1 4 4 ASP CA C 13 52.486 0.3 . 1 . . . . 478 ASP CA . 18398 1 24 . 1 1 4 4 ASP CB C 13 40.923 0.3 . 1 . . . . 478 ASP CB . 18398 1 25 . 1 1 4 4 ASP N N 15 122.830 0.3 . 1 . . . . 478 ASP N . 18398 1 26 . 1 1 5 5 PRO HA H 1 4.420 0.03 . 1 . . . . 479 PRO HA . 18398 1 27 . 1 1 5 5 PRO HB2 H 1 1.953 0.03 . 2 . . . . 479 PRO HB2 . 18398 1 28 . 1 1 5 5 PRO HB3 H 1 2.046 0.03 . 2 . . . . 479 PRO HB3 . 18398 1 29 . 1 1 5 5 PRO HG2 H 1 2.309 0.03 . 2 . . . . 479 PRO HG2 . 18398 1 30 . 1 1 5 5 PRO HG3 H 1 2.309 0.03 . 2 . . . . 479 PRO HG3 . 18398 1 31 . 1 1 5 5 PRO HD2 H 1 3.752 0.03 . 2 . . . . 479 PRO HD2 . 18398 1 32 . 1 1 5 5 PRO HD3 H 1 3.859 0.03 . 2 . . . . 479 PRO HD3 . 18398 1 33 . 1 1 5 5 PRO C C 13 177.334 0.3 . 1 . . . . 479 PRO C . 18398 1 34 . 1 1 5 5 PRO CA C 13 63.736 0.3 . 1 . . . . 479 PRO CA . 18398 1 35 . 1 1 5 5 PRO CB C 13 32.237 0.3 . 1 . . . . 479 PRO CB . 18398 1 36 . 1 1 5 5 PRO CG C 13 27.605 0.3 . 1 . . . . 479 PRO CG . 18398 1 37 . 1 1 5 5 PRO CD C 13 50.860 0.3 . 1 . . . . 479 PRO CD . 18398 1 38 . 1 1 6 6 GLN H H 1 8.491 0.03 . 1 . . . . 480 GLN HN . 18398 1 39 . 1 1 6 6 GLN HA H 1 4.313 0.03 . 1 . . . . 480 GLN HA . 18398 1 40 . 1 1 6 6 GLN HB2 H 1 2.014 0.03 . 2 . . . . 480 GLN HB2 . 18398 1 41 . 1 1 6 6 GLN HB3 H 1 2.132 0.03 . 2 . . . . 480 GLN HB3 . 18398 1 42 . 1 1 6 6 GLN HG2 H 1 2.370 0.03 . 2 . . . . 480 GLN HG2 . 18398 1 43 . 1 1 6 6 GLN HG3 H 1 2.380 0.03 . 2 . . . . 480 GLN HG3 . 18398 1 44 . 1 1 6 6 GLN HE21 H 1 7.543 0.03 . 2 . . . . 480 GLN HE21 . 18398 1 45 . 1 1 6 6 GLN HE22 H 1 6.786 0.03 . 2 . . . . 480 GLN HE22 . 18398 1 46 . 1 1 6 6 GLN C C 13 176.206 0.3 . 1 . . . . 480 GLN C . 18398 1 47 . 1 1 6 6 GLN CA C 13 56.089 0.3 . 1 . . . . 480 GLN CA . 18398 1 48 . 1 1 6 6 GLN CB C 13 29.564 0.3 . 1 . . . . 480 GLN CB . 18398 1 49 . 1 1 6 6 GLN CG C 13 34.172 0.3 . 1 . . . . 480 GLN CG . 18398 1 50 . 1 1 6 6 GLN N N 15 120.002 0.3 . 1 . . . . 480 GLN N . 18398 1 51 . 1 1 6 6 GLN NE2 N 15 112.165 0.3 . 1 . . . . 480 GLN NE2 . 18398 1 52 . 1 1 7 7 GLU H H 1 8.281 0.03 . 1 . . . . 481 GLU HN . 18398 1 53 . 1 1 7 7 GLU HA H 1 4.290 0.03 . 1 . . . . 481 GLU HA . 18398 1 54 . 1 1 7 7 GLU HB2 H 1 1.976 0.03 . 2 . . . . 481 GLU HB2 . 18398 1 55 . 1 1 7 7 GLU HB3 H 1 2.069 0.03 . 2 . . . . 481 GLU HB3 . 18398 1 56 . 1 1 7 7 GLU HG2 H 1 2.244 0.03 . 2 . . . . 481 GLU HG2 . 18398 1 57 . 1 1 7 7 GLU HG3 H 1 2.244 0.03 . 2 . . . . 481 GLU HG3 . 18398 1 58 . 1 1 7 7 GLU C C 13 176.618 0.3 . 1 . . . . 481 GLU C . 18398 1 59 . 1 1 7 7 GLU CA C 13 56.750 0.3 . 1 . . . . 481 GLU CA . 18398 1 60 . 1 1 7 7 GLU CB C 13 30.678 0.3 . 1 . . . . 481 GLU CB . 18398 1 61 . 1 1 7 7 GLU CG C 13 36.399 0.3 . 1 . . . . 481 GLU CG . 18398 1 62 . 1 1 7 7 GLU N N 15 121.787 0.3 . 1 . . . . 481 GLU N . 18398 1 63 . 1 1 8 8 GLU H H 1 8.394 0.03 . 1 . . . . 482 GLU HN . 18398 1 64 . 1 1 8 8 GLU HA H 1 4.437 0.03 . 1 . . . . 482 GLU HA . 18398 1 65 . 1 1 8 8 GLU HB2 H 1 2.109 0.03 . 2 . . . . 482 GLU HB2 . 18398 1 66 . 1 1 8 8 GLU HB3 H 1 1.985 0.03 . 2 . . . . 482 GLU HB3 . 18398 1 67 . 1 1 8 8 GLU HG2 H 1 2.274 0.03 . 2 . . . . 482 GLU HG2 . 18398 1 68 . 1 1 8 8 GLU HG3 H 1 2.274 0.03 . 2 . . . . 482 GLU HG3 . 18398 1 69 . 1 1 8 8 GLU C C 13 176.980 0.3 . 1 . . . . 482 GLU C . 18398 1 70 . 1 1 8 8 GLU CA C 13 56.600 0.3 . 1 . . . . 482 GLU CA . 18398 1 71 . 1 1 8 8 GLU CB C 13 30.337 0.3 . 1 . . . . 482 GLU CB . 18398 1 72 . 1 1 8 8 GLU CG C 13 36.468 0.3 . 1 . . . . 482 GLU CG . 18398 1 73 . 1 1 8 8 GLU N N 15 122.500 0.3 . 1 . . . . 482 GLU N . 18398 1 74 . 1 1 9 9 THR H H 1 8.385 0.03 . 1 . . . . 483 THR HN . 18398 1 75 . 1 1 9 9 THR HA H 1 4.350 0.03 . 1 . . . . 483 THR HA . 18398 1 76 . 1 1 9 9 THR HB H 1 4.310 0.03 . 1 . . . . 483 THR HB . 18398 1 77 . 1 1 9 9 THR HG21 H 1 1.270 0.03 . 1 . . . . 483 THR HG21 . 18398 1 78 . 1 1 9 9 THR HG22 H 1 1.270 0.03 . 1 . . . . 483 THR HG22 . 18398 1 79 . 1 1 9 9 THR HG23 H 1 1.270 0.03 . 1 . . . . 483 THR HG23 . 18398 1 80 . 1 1 9 9 THR C C 13 175.423 0.3 . 1 . . . . 483 THR C . 18398 1 81 . 1 1 9 9 THR CA C 13 62.164 0.3 . 1 . . . . 483 THR CA . 18398 1 82 . 1 1 9 9 THR CB C 13 70.659 0.3 . 1 . . . . 483 THR CB . 18398 1 83 . 1 1 9 9 THR CG2 C 13 21.920 0.3 . 1 . . . . 483 THR CG2 . 18398 1 84 . 1 1 9 9 THR N N 15 113.140 0.3 . 1 . . . . 483 THR N . 18398 1 85 . 1 1 10 10 GLY H H 1 8.512 0.03 . 1 . . . . 484 GLY HN . 18398 1 86 . 1 1 10 10 GLY HA2 H 1 3.845 0.03 . 2 . . . . 484 GLY HA2 . 18398 1 87 . 1 1 10 10 GLY HA3 H 1 4.293 0.03 . 2 . . . . 484 GLY HA3 . 18398 1 88 . 1 1 10 10 GLY C C 13 173.163 0.3 . 1 . . . . 484 GLY C . 18398 1 89 . 1 1 10 10 GLY CA C 13 45.867 0.3 . 1 . . . . 484 GLY CA . 18398 1 90 . 1 1 10 10 GLY N N 15 107.935 0.3 . 1 . . . . 484 GLY N . 18398 1 91 . 1 1 11 11 VAL H H 1 7.619 0.03 . 1 . . . . 485 VAL HN . 18398 1 92 . 1 1 11 11 VAL HA H 1 4.959 0.03 . 1 . . . . 485 VAL HA . 18398 1 93 . 1 1 11 11 VAL HB H 1 1.795 0.03 . 1 . . . . 485 VAL HB . 18398 1 94 . 1 1 11 11 VAL HG11 H 1 0.780 0.03 . 2 . . . . 485 VAL HG11 . 18398 1 95 . 1 1 11 11 VAL HG12 H 1 0.780 0.03 . 2 . . . . 485 VAL HG12 . 18398 1 96 . 1 1 11 11 VAL HG13 H 1 0.780 0.03 . 2 . . . . 485 VAL HG13 . 18398 1 97 . 1 1 11 11 VAL HG21 H 1 0.725 0.03 . 2 . . . . 485 VAL HG21 . 18398 1 98 . 1 1 11 11 VAL HG22 H 1 0.725 0.03 . 2 . . . . 485 VAL HG22 . 18398 1 99 . 1 1 11 11 VAL HG23 H 1 0.725 0.03 . 2 . . . . 485 VAL HG23 . 18398 1 100 . 1 1 11 11 VAL C C 13 173.912 0.3 . 1 . . . . 485 VAL C . 18398 1 101 . 1 1 11 11 VAL CA C 13 59.839 0.3 . 1 . . . . 485 VAL CA . 18398 1 102 . 1 1 11 11 VAL CB C 13 35.484 0.3 . 1 . . . . 485 VAL CB . 18398 1 103 . 1 1 11 11 VAL CG1 C 13 22.320 0.3 . 2 . . . . 485 VAL CG1 . 18398 1 104 . 1 1 11 11 VAL CG2 C 13 20.982 0.3 . 2 . . . . 485 VAL CG2 . 18398 1 105 . 1 1 11 11 VAL N N 15 115.897 0.3 . 1 . . . . 485 VAL N . 18398 1 106 . 1 1 12 12 ARG H H 1 8.810 0.03 . 1 . . . . 486 ARG HN . 18398 1 107 . 1 1 12 12 ARG HA H 1 4.682 0.03 . 1 . . . . 486 ARG HA . 18398 1 108 . 1 1 12 12 ARG HB2 H 1 1.698 0.03 . 2 . . . . 486 ARG HB2 . 18398 1 109 . 1 1 12 12 ARG HB3 H 1 1.774 0.03 . 2 . . . . 486 ARG HB3 . 18398 1 110 . 1 1 12 12 ARG HG2 H 1 1.479 0.03 . 2 . . . . 486 ARG HG2 . 18398 1 111 . 1 1 12 12 ARG HG3 H 1 1.480 0.03 . 2 . . . . 486 ARG HG3 . 18398 1 112 . 1 1 12 12 ARG HD2 H 1 3.171 0.03 . 2 . . . . 486 ARG HD2 . 18398 1 113 . 1 1 12 12 ARG HD3 H 1 3.227 0.03 . 2 . . . . 486 ARG HD3 . 18398 1 114 . 1 1 12 12 ARG C C 13 173.943 0.3 . 1 . . . . 486 ARG C . 18398 1 115 . 1 1 12 12 ARG CA C 13 54.941 0.3 . 1 . . . . 486 ARG CA . 18398 1 116 . 1 1 12 12 ARG CB C 13 34.309 0.3 . 1 . . . . 486 ARG CB . 18398 1 117 . 1 1 12 12 ARG CG C 13 27.500 0.3 . 1 . . . . 486 ARG CG . 18398 1 118 . 1 1 12 12 ARG CD C 13 43.530 0.3 . 1 . . . . 486 ARG CD . 18398 1 119 . 1 1 12 12 ARG N N 15 122.943 0.3 . 1 . . . . 486 ARG N . 18398 1 120 . 1 1 13 13 VAL H H 1 8.748 0.03 . 1 . . . . 487 VAL HN . 18398 1 121 . 1 1 13 13 VAL HA H 1 5.447 0.03 . 1 . . . . 487 VAL HA . 18398 1 122 . 1 1 13 13 VAL HB H 1 1.832 0.03 . 1 . . . . 487 VAL HB . 18398 1 123 . 1 1 13 13 VAL HG11 H 1 0.974 0.03 . 2 . . . . 487 VAL HG11 . 18398 1 124 . 1 1 13 13 VAL HG12 H 1 0.974 0.03 . 2 . . . . 487 VAL HG12 . 18398 1 125 . 1 1 13 13 VAL HG13 H 1 0.974 0.03 . 2 . . . . 487 VAL HG13 . 18398 1 126 . 1 1 13 13 VAL HG21 H 1 0.885 0.03 . 2 . . . . 487 VAL HG21 . 18398 1 127 . 1 1 13 13 VAL HG22 H 1 0.885 0.03 . 2 . . . . 487 VAL HG22 . 18398 1 128 . 1 1 13 13 VAL HG23 H 1 0.885 0.03 . 2 . . . . 487 VAL HG23 . 18398 1 129 . 1 1 13 13 VAL C C 13 175.235 0.3 . 1 . . . . 487 VAL C . 18398 1 130 . 1 1 13 13 VAL CA C 13 60.584 0.3 . 1 . . . . 487 VAL CA . 18398 1 131 . 1 1 13 13 VAL CB C 13 33.344 0.3 . 1 . . . . 487 VAL CB . 18398 1 132 . 1 1 13 13 VAL CG1 C 13 23.410 0.3 . 2 . . . . 487 VAL CG1 . 18398 1 133 . 1 1 13 13 VAL CG2 C 13 23.593 0.3 . 2 . . . . 487 VAL CG2 . 18398 1 134 . 1 1 13 13 VAL N N 15 123.706 0.3 . 1 . . . . 487 VAL N . 18398 1 135 . 1 1 14 14 GLU H H 1 9.064 0.03 . 1 . . . . 488 GLU HN . 18398 1 136 . 1 1 14 14 GLU HA H 1 4.733 0.03 . 1 . . . . 488 GLU HA . 18398 1 137 . 1 1 14 14 GLU HB2 H 1 1.741 0.03 . 2 . . . . 488 GLU HB2 . 18398 1 138 . 1 1 14 14 GLU HB3 H 1 2.098 0.03 . 2 . . . . 488 GLU HB3 . 18398 1 139 . 1 1 14 14 GLU HG2 H 1 2.184 0.03 . 2 . . . . 488 GLU HG2 . 18398 1 140 . 1 1 14 14 GLU HG3 H 1 2.240 0.03 . 2 . . . . 488 GLU HG3 . 18398 1 141 . 1 1 14 14 GLU C C 13 175.055 0.3 . 1 . . . . 488 GLU C . 18398 1 142 . 1 1 14 14 GLU CA C 13 53.756 0.3 . 1 . . . . 488 GLU CA . 18398 1 143 . 1 1 14 14 GLU CB C 13 34.561 0.3 . 1 . . . . 488 GLU CB . 18398 1 144 . 1 1 14 14 GLU CG C 13 34.700 0.3 . 1 . . . . 488 GLU CG . 18398 1 145 . 1 1 14 14 GLU N N 15 126.247 0.3 . 1 . . . . 488 GLU N . 18398 1 146 . 1 1 15 15 LEU H H 1 8.687 0.03 . 1 . . . . 489 LEU HN . 18398 1 147 . 1 1 15 15 LEU HA H 1 4.257 0.03 . 1 . . . . 489 LEU HA . 18398 1 148 . 1 1 15 15 LEU HB2 H 1 1.647 0.03 . 2 . . . . 489 LEU HB2 . 18398 1 149 . 1 1 15 15 LEU HB3 H 1 1.994 0.03 . 2 . . . . 489 LEU HB3 . 18398 1 150 . 1 1 15 15 LEU HG H 1 1.655 0.03 . 1 . . . . 489 LEU HG . 18398 1 151 . 1 1 15 15 LEU HD11 H 1 1.020 0.03 . 2 . . . . 489 LEU HD11 . 18398 1 152 . 1 1 15 15 LEU HD12 H 1 1.020 0.03 . 2 . . . . 489 LEU HD12 . 18398 1 153 . 1 1 15 15 LEU HD13 H 1 1.020 0.03 . 2 . . . . 489 LEU HD13 . 18398 1 154 . 1 1 15 15 LEU HD21 H 1 0.915 0.03 . 2 . . . . 489 LEU HD21 . 18398 1 155 . 1 1 15 15 LEU HD22 H 1 0.915 0.03 . 2 . . . . 489 LEU HD22 . 18398 1 156 . 1 1 15 15 LEU HD23 H 1 0.915 0.03 . 2 . . . . 489 LEU HD23 . 18398 1 157 . 1 1 15 15 LEU C C 13 177.110 0.3 . 1 . . . . 489 LEU C . 18398 1 158 . 1 1 15 15 LEU CA C 13 56.646 0.3 . 1 . . . . 489 LEU CA . 18398 1 159 . 1 1 15 15 LEU CB C 13 42.523 0.3 . 1 . . . . 489 LEU CB . 18398 1 160 . 1 1 15 15 LEU CG C 13 28.558 0.3 . 1 . . . . 489 LEU CG . 18398 1 161 . 1 1 15 15 LEU CD1 C 13 25.876 0.3 . 2 . . . . 489 LEU CD1 . 18398 1 162 . 1 1 15 15 LEU CD2 C 13 24.550 0.3 . 2 . . . . 489 LEU CD2 . 18398 1 163 . 1 1 15 15 LEU N N 15 121.698 0.3 . 1 . . . . 489 LEU N . 18398 1 164 . 1 1 16 16 ALA H H 1 8.552 0.03 . 1 . . . . 490 ALA HN . 18398 1 165 . 1 1 16 16 ALA HA H 1 4.021 0.03 . 1 . . . . 490 ALA HA . 18398 1 166 . 1 1 16 16 ALA HB1 H 1 0.515 0.03 . 1 . . . . 490 ALA HB2 . 18398 1 167 . 1 1 16 16 ALA HB2 H 1 0.515 0.03 . 1 . . . . 490 ALA HB2 . 18398 1 168 . 1 1 16 16 ALA HB3 H 1 0.515 0.03 . 1 . . . . 490 ALA HB3 . 18398 1 169 . 1 1 16 16 ALA C C 13 175.941 0.3 . 1 . . . . 490 ALA C . 18398 1 170 . 1 1 16 16 ALA CA C 13 51.583 0.3 . 1 . . . . 490 ALA CA . 18398 1 171 . 1 1 16 16 ALA CB C 13 18.645 0.3 . 1 . . . . 490 ALA CB . 18398 1 172 . 1 1 16 16 ALA N N 15 124.126 0.3 . 1 . . . . 490 ALA N . 18398 1 173 . 1 1 17 17 GLU H H 1 7.475 0.03 . 1 . . . . 491 GLU HN . 18398 1 174 . 1 1 17 17 GLU HA H 1 4.510 0.03 . 1 . . . . 491 GLU HA . 18398 1 175 . 1 1 17 17 GLU HB2 H 1 1.976 0.03 . 2 . . . . 491 GLU HB2 . 18398 1 176 . 1 1 17 17 GLU HB3 H 1 2.053 0.03 . 2 . . . . 491 GLU HB3 . 18398 1 177 . 1 1 17 17 GLU HG2 H 1 1.977 0.03 . 2 . . . . 491 GLU HG2 . 18398 1 178 . 1 1 17 17 GLU HG3 H 1 2.173 0.03 . 2 . . . . 491 GLU HG3 . 18398 1 179 . 1 1 17 17 GLU C C 13 174.135 0.3 . 1 . . . . 491 GLU C . 18398 1 180 . 1 1 17 17 GLU CA C 13 53.850 0.3 . 1 . . . . 491 GLU CA . 18398 1 181 . 1 1 17 17 GLU CB C 13 32.410 0.3 . 1 . . . . 491 GLU CB . 18398 1 182 . 1 1 17 17 GLU CG C 13 35.009 0.3 . 1 . . . . 491 GLU CG . 18398 1 183 . 1 1 17 17 GLU N N 15 115.148 0.3 . 1 . . . . 491 GLU N . 18398 1 184 . 1 1 18 18 GLU H H 1 8.393 0.03 . 1 . . . . 492 GLU HN . 18398 1 185 . 1 1 18 18 GLU HA H 1 4.094 0.03 . 1 . . . . 492 GLU HA . 18398 1 186 . 1 1 18 18 GLU HB2 H 1 1.919 0.03 . 2 . . . . 492 GLU HB2 . 18398 1 187 . 1 1 18 18 GLU HB3 H 1 1.919 0.03 . 2 . . . . 492 GLU HB3 . 18398 1 188 . 1 1 18 18 GLU HG2 H 1 2.176 0.03 . 2 . . . . 492 GLU HG2 . 18398 1 189 . 1 1 18 18 GLU HG3 H 1 2.254 0.03 . 2 . . . . 492 GLU HG3 . 18398 1 190 . 1 1 18 18 GLU C C 13 176.626 0.3 . 1 . . . . 492 GLU C . 18398 1 191 . 1 1 18 18 GLU CA C 13 57.031 0.3 . 1 . . . . 492 GLU CA . 18398 1 192 . 1 1 18 18 GLU CB C 13 30.339 0.3 . 1 . . . . 492 GLU CB . 18398 1 193 . 1 1 18 18 GLU CG C 13 36.430 0.3 . 1 . . . . 492 GLU CG . 18398 1 194 . 1 1 18 18 GLU N N 15 118.870 0.3 . 1 . . . . 492 GLU N . 18398 1 195 . 1 1 19 19 ASP H H 1 8.659 0.03 . 1 . . . . 493 ASP HN . 18398 1 196 . 1 1 19 19 ASP HA H 1 4.608 0.03 . 1 . . . . 493 ASP HA . 18398 1 197 . 1 1 19 19 ASP HB2 H 1 2.507 0.03 . 2 . . . . 493 ASP HB2 . 18398 1 198 . 1 1 19 19 ASP HB3 H 1 2.778 0.03 . 2 . . . . 493 ASP HB3 . 18398 1 199 . 1 1 19 19 ASP C C 13 176.096 0.3 . 1 . . . . 493 ASP C . 18398 1 200 . 1 1 19 19 ASP CA C 13 53.945 0.3 . 1 . . . . 493 ASP CA . 18398 1 201 . 1 1 19 19 ASP CB C 13 41.072 0.3 . 1 . . . . 493 ASP CB . 18398 1 202 . 1 1 19 19 ASP N N 15 123.312 0.3 . 1 . . . . 493 ASP N . 18398 1 203 . 1 1 20 20 ASP H H 1 7.806 0.03 . 1 . . . . 494 ASP HN . 18398 1 204 . 1 1 20 20 ASP HA H 1 4.587 0.03 . 1 . . . . 494 ASP HA . 18398 1 205 . 1 1 20 20 ASP HB2 H 1 2.610 0.03 . 2 . . . . 494 ASP HB2 . 18398 1 206 . 1 1 20 20 ASP HB3 H 1 3.103 0.03 . 2 . . . . 494 ASP HB3 . 18398 1 207 . 1 1 20 20 ASP C C 13 177.523 0.3 . 1 . . . . 494 ASP C . 18398 1 208 . 1 1 20 20 ASP CA C 13 53.339 0.3 . 1 . . . . 494 ASP CA . 18398 1 209 . 1 1 20 20 ASP CB C 13 41.341 0.3 . 1 . . . . 494 ASP CB . 18398 1 210 . 1 1 20 20 ASP N N 15 126.432 0.3 . 1 . . . . 494 ASP N . 18398 1 211 . 1 1 21 21 GLY H H 1 8.646 0.03 . 1 . . . . 495 GLY HN . 18398 1 212 . 1 1 21 21 GLY HA2 H 1 3.622 0.03 . 2 . . . . 495 GLY HA2 . 18398 1 213 . 1 1 21 21 GLY HA3 H 1 4.167 0.03 . 2 . . . . 495 GLY HA3 . 18398 1 214 . 1 1 21 21 GLY C C 13 173.020 0.3 . 1 . . . . 495 GLY C . 18398 1 215 . 1 1 21 21 GLY CA C 13 46.042 0.3 . 1 . . . . 495 GLY CA . 18398 1 216 . 1 1 21 21 GLY N N 15 109.268 0.3 . 1 . . . . 495 GLY N . 18398 1 217 . 1 1 22 22 GLU H H 1 8.470 0.03 . 1 . . . . 496 GLU HN . 18398 1 218 . 1 1 22 22 GLU HA H 1 4.398 0.03 . 1 . . . . 496 GLU HA . 18398 1 219 . 1 1 22 22 GLU HB2 H 1 1.771 0.03 . 2 . . . . 496 GLU HB2 . 18398 1 220 . 1 1 22 22 GLU HB3 H 1 1.980 0.03 . 2 . . . . 496 GLU HB3 . 18398 1 221 . 1 1 22 22 GLU HG2 H 1 2.150 0.03 . 2 . . . . 496 GLU HG2 . 18398 1 222 . 1 1 22 22 GLU HG3 H 1 2.049 0.03 . 2 . . . . 496 GLU HG3 . 18398 1 223 . 1 1 22 22 GLU C C 13 176.946 0.3 . 1 . . . . 496 GLU C . 18398 1 224 . 1 1 22 22 GLU CA C 13 57.064 0.3 . 1 . . . . 496 GLU CA . 18398 1 225 . 1 1 22 22 GLU CB C 13 33.023 0.3 . 1 . . . . 496 GLU CB . 18398 1 226 . 1 1 22 22 GLU CG C 13 36.205 0.3 . 1 . . . . 496 GLU CG . 18398 1 227 . 1 1 22 22 GLU N N 15 118.939 0.3 . 1 . . . . 496 GLU N . 18398 1 228 . 1 1 23 23 LYS H H 1 9.264 0.03 . 1 . . . . 497 LYS HN . 18398 1 229 . 1 1 23 23 LYS HA H 1 4.148 0.03 . 1 . . . . 497 LYS HA . 18398 1 230 . 1 1 23 23 LYS HB2 H 1 1.769 0.03 . 2 . . . . 497 LYS HB2 . 18398 1 231 . 1 1 23 23 LYS HB3 H 1 1.942 0.03 . 2 . . . . 497 LYS HB3 . 18398 1 232 . 1 1 23 23 LYS HG2 H 1 1.576 0.03 . 2 . . . . 497 LYS HG2 . 18398 1 233 . 1 1 23 23 LYS HG3 H 1 1.759 0.03 . 2 . . . . 497 LYS HG3 . 18398 1 234 . 1 1 23 23 LYS HD2 H 1 1.733 0.03 . 2 . . . . 497 LYS HD2 . 18398 1 235 . 1 1 23 23 LYS HD3 H 1 1.733 0.03 . 2 . . . . 497 LYS HD3 . 18398 1 236 . 1 1 23 23 LYS HE2 H 1 2.988 0.03 . 2 . . . . 497 LYS HE2 . 18398 1 237 . 1 1 23 23 LYS HE3 H 1 2.988 0.03 . 2 . . . . 497 LYS HE3 . 18398 1 238 . 1 1 23 23 LYS C C 13 177.058 0.3 . 1 . . . . 497 LYS C . 18398 1 239 . 1 1 23 23 LYS CA C 13 58.140 0.3 . 1 . . . . 497 LYS CA . 18398 1 240 . 1 1 23 23 LYS CB C 13 33.146 0.3 . 1 . . . . 497 LYS CB . 18398 1 241 . 1 1 23 23 LYS CG C 13 25.010 0.3 . 1 . . . . 497 LYS CG . 18398 1 242 . 1 1 23 23 LYS CD C 13 29.871 0.3 . 1 . . . . 497 LYS CD . 18398 1 243 . 1 1 23 23 LYS CE C 13 42.213 0.3 . 1 . . . . 497 LYS CE . 18398 1 244 . 1 1 23 23 LYS N N 15 123.135 0.3 . 1 . . . . 497 LYS N . 18398 1 245 . 1 1 24 24 ILE H H 1 8.258 0.03 . 1 . . . . 498 ILE HN . 18398 1 246 . 1 1 24 24 ILE HA H 1 4.166 0.03 . 1 . . . . 498 ILE HA . 18398 1 247 . 1 1 24 24 ILE HB H 1 1.889 0.03 . 1 . . . . 498 ILE HB . 18398 1 248 . 1 1 24 24 ILE HG12 H 1 1.582 0.03 . 2 . . . . 498 ILE HG12 . 18398 1 249 . 1 1 24 24 ILE HG13 H 1 1.354 0.03 . 2 . . . . 498 ILE HG13 . 18398 1 250 . 1 1 24 24 ILE HG21 H 1 0.988 0.03 . 1 . . . . 498 ILE HG21 . 18398 1 251 . 1 1 24 24 ILE HG22 H 1 0.988 0.03 . 1 . . . . 498 ILE HG22 . 18398 1 252 . 1 1 24 24 ILE HG23 H 1 0.988 0.03 . 1 . . . . 498 ILE HG23 . 18398 1 253 . 1 1 24 24 ILE HD11 H 1 0.866 0.03 . 1 . . . . 498 ILE HD11 . 18398 1 254 . 1 1 24 24 ILE HD12 H 1 0.866 0.03 . 1 . . . . 498 ILE HD12 . 18398 1 255 . 1 1 24 24 ILE HD13 H 1 0.866 0.03 . 1 . . . . 498 ILE HD13 . 18398 1 256 . 1 1 24 24 ILE C C 13 174.339 0.3 . 1 . . . . 498 ILE C . 18398 1 257 . 1 1 24 24 ILE CA C 13 61.913 0.3 . 1 . . . . 498 ILE CA . 18398 1 258 . 1 1 24 24 ILE CB C 13 38.965 0.3 . 1 . . . . 498 ILE CB . 18398 1 259 . 1 1 24 24 ILE CG1 C 13 27.936 0.3 . 1 . . . . 498 ILE CG1 . 18398 1 260 . 1 1 24 24 ILE CG2 C 13 19.169 0.3 . 1 . . . . 498 ILE CG2 . 18398 1 261 . 1 1 24 24 ILE CD1 C 13 12.612 0.3 . 1 . . . . 498 ILE CD1 . 18398 1 262 . 1 1 24 24 ILE N N 15 122.405 0.3 . 1 . . . . 498 ILE N . 18398 1 263 . 1 1 25 25 ALA H H 1 7.459 0.03 . 1 . . . . 499 ALA HN . 18398 1 264 . 1 1 25 25 ALA HA H 1 5.281 0.03 . 1 . . . . 499 ALA HA . 18398 1 265 . 1 1 25 25 ALA HB1 H 1 1.227 0.03 . 1 . . . . 499 ALA HB2 . 18398 1 266 . 1 1 25 25 ALA HB2 H 1 1.227 0.03 . 1 . . . . 499 ALA HB2 . 18398 1 267 . 1 1 25 25 ALA HB3 H 1 1.227 0.03 . 1 . . . . 499 ALA HB3 . 18398 1 268 . 1 1 25 25 ALA C C 13 176.444 0.3 . 1 . . . . 499 ALA C . 18398 1 269 . 1 1 25 25 ALA CA C 13 50.457 0.3 . 1 . . . . 499 ALA CA . 18398 1 270 . 1 1 25 25 ALA CB C 13 19.432 0.3 . 1 . . . . 499 ALA CB . 18398 1 271 . 1 1 25 25 ALA N N 15 121.989 0.3 . 1 . . . . 499 ALA N . 18398 1 272 . 1 1 26 26 ILE H H 1 8.613 0.03 . 1 . . . . 500 ILE HN . 18398 1 273 . 1 1 26 26 ILE HA H 1 4.598 0.03 . 1 . . . . 500 ILE HA . 18398 1 274 . 1 1 26 26 ILE HB H 1 1.581 0.03 . 1 . . . . 500 ILE HB . 18398 1 275 . 1 1 26 26 ILE HG12 H 1 1.450 0.03 . 2 . . . . 500 ILE HG12 . 18398 1 276 . 1 1 26 26 ILE HG13 H 1 1.253 0.03 . 2 . . . . 500 ILE HG13 . 18398 1 277 . 1 1 26 26 ILE HG21 H 1 0.839 0.03 . 1 . . . . 500 ILE HG21 . 18398 1 278 . 1 1 26 26 ILE HG22 H 1 0.839 0.03 . 1 . . . . 500 ILE HG22 . 18398 1 279 . 1 1 26 26 ILE HG23 H 1 0.839 0.03 . 1 . . . . 500 ILE HG23 . 18398 1 280 . 1 1 26 26 ILE HD11 H 1 0.785 0.03 . 1 . . . . 500 ILE HD11 . 18398 1 281 . 1 1 26 26 ILE HD12 H 1 0.785 0.03 . 1 . . . . 500 ILE HD12 . 18398 1 282 . 1 1 26 26 ILE HD13 H 1 0.785 0.03 . 1 . . . . 500 ILE HD13 . 18398 1 283 . 1 1 26 26 ILE C C 13 173.694 0.3 . 1 . . . . 500 ILE C . 18398 1 284 . 1 1 26 26 ILE CA C 13 58.712 0.3 . 1 . . . . 500 ILE CA . 18398 1 285 . 1 1 26 26 ILE CB C 13 42.745 0.3 . 1 . . . . 500 ILE CB . 18398 1 286 . 1 1 26 26 ILE CG1 C 13 27.861 0.3 . 1 . . . . 500 ILE CG1 . 18398 1 287 . 1 1 26 26 ILE CG2 C 13 17.728 0.3 . 1 . . . . 500 ILE CG2 . 18398 1 288 . 1 1 26 26 ILE CD1 C 13 14.520 0.3 . 1 . . . . 500 ILE CD1 . 18398 1 289 . 1 1 26 26 ILE N N 15 121.242 0.3 . 1 . . . . 500 ILE N . 18398 1 290 . 1 1 27 27 LYS H H 1 8.781 0.03 . 1 . . . . 501 LYS HN . 18398 1 291 . 1 1 27 27 LYS HA H 1 4.543 0.03 . 1 . . . . 501 LYS HA . 18398 1 292 . 1 1 27 27 LYS HB2 H 1 1.370 0.03 . 2 . . . . 501 LYS HB2 . 18398 1 293 . 1 1 27 27 LYS HB3 H 1 1.370 0.03 . 2 . . . . 501 LYS HB3 . 18398 1 294 . 1 1 27 27 LYS HG2 H 1 1.308 0.03 . 2 . . . . 501 LYS HG2 . 18398 1 295 . 1 1 27 27 LYS HG3 H 1 1.088 0.03 . 2 . . . . 501 LYS HG3 . 18398 1 296 . 1 1 27 27 LYS HD2 H 1 1.358 0.03 . 2 . . . . 501 LYS HD2 . 18398 1 297 . 1 1 27 27 LYS HD3 H 1 1.457 0.03 . 2 . . . . 501 LYS HD3 . 18398 1 298 . 1 1 27 27 LYS HE2 H 1 2.739 0.03 . 2 . . . . 501 LYS HE2 . 18398 1 299 . 1 1 27 27 LYS HE3 H 1 2.739 0.03 . 2 . . . . 501 LYS HE3 . 18398 1 300 . 1 1 27 27 LYS C C 13 175.027 0.3 . 1 . . . . 501 LYS C . 18398 1 301 . 1 1 27 27 LYS CA C 13 55.864 0.3 . 1 . . . . 501 LYS CA . 18398 1 302 . 1 1 27 27 LYS CB C 13 33.613 0.3 . 1 . . . . 501 LYS CB . 18398 1 303 . 1 1 27 27 LYS CG C 13 24.923 0.3 . 1 . . . . 501 LYS CG . 18398 1 304 . 1 1 27 27 LYS CD C 13 29.126 0.3 . 1 . . . . 501 LYS CD . 18398 1 305 . 1 1 27 27 LYS CE C 13 41.821 0.3 . 1 . . . . 501 LYS CE . 18398 1 306 . 1 1 27 27 LYS N N 15 125.017 0.3 . 1 . . . . 501 LYS N . 18398 1 307 . 1 1 28 28 LEU H H 1 8.521 0.03 . 1 . . . . 502 LEU HN . 18398 1 308 . 1 1 28 28 LEU HA H 1 4.651 0.03 . 1 . . . . 502 LEU HA . 18398 1 309 . 1 1 28 28 LEU HB2 H 1 0.104 0.03 . 2 . . . . 502 LEU HB2 . 18398 1 310 . 1 1 28 28 LEU HB3 H 1 0.798 0.03 . 2 . . . . 502 LEU HB3 . 18398 1 311 . 1 1 28 28 LEU HG H 1 1.254 0.03 . 1 . . . . 502 LEU HG . 18398 1 312 . 1 1 28 28 LEU HD11 H 1 0.366 0.03 . 2 . . . . 502 LEU HD11 . 18398 1 313 . 1 1 28 28 LEU HD12 H 1 0.366 0.03 . 2 . . . . 502 LEU HD12 . 18398 1 314 . 1 1 28 28 LEU HD13 H 1 0.366 0.03 . 2 . . . . 502 LEU HD13 . 18398 1 315 . 1 1 28 28 LEU HD21 H 1 0.573 0.03 . 2 . . . . 502 LEU HD21 . 18398 1 316 . 1 1 28 28 LEU HD22 H 1 0.573 0.03 . 2 . . . . 502 LEU HD22 . 18398 1 317 . 1 1 28 28 LEU HD23 H 1 0.573 0.03 . 2 . . . . 502 LEU HD23 . 18398 1 318 . 1 1 28 28 LEU C C 13 174.447 0.3 . 1 . . . . 502 LEU C . 18398 1 319 . 1 1 28 28 LEU CA C 13 53.166 0.3 . 1 . . . . 502 LEU CA . 18398 1 320 . 1 1 28 28 LEU CB C 13 45.950 0.3 . 1 . . . . 502 LEU CB . 18398 1 321 . 1 1 28 28 LEU CG C 13 26.704 0.3 . 1 . . . . 502 LEU CG . 18398 1 322 . 1 1 28 28 LEU CD1 C 13 26.637 0.3 . 2 . . . . 502 LEU CD1 . 18398 1 323 . 1 1 28 28 LEU CD2 C 13 25.187 0.3 . 2 . . . . 502 LEU CD2 . 18398 1 324 . 1 1 28 28 LEU N N 15 124.115 0.3 . 1 . . . . 502 LEU N . 18398 1 325 . 1 1 29 29 TRP H H 1 8.906 0.03 . 1 . . . . 503 TRP HN . 18398 1 326 . 1 1 29 29 TRP HA H 1 5.478 0.03 . 1 . . . . 503 TRP HA . 18398 1 327 . 1 1 29 29 TRP HB2 H 1 2.820 0.03 . 2 . . . . 503 TRP HB2 . 18398 1 328 . 1 1 29 29 TRP HB3 H 1 2.900 0.03 . 2 . . . . 503 TRP HB3 . 18398 1 329 . 1 1 29 29 TRP HD1 H 1 6.885 0.03 . 1 . . . . 503 TRP HD1 . 18398 1 330 . 1 1 29 29 TRP HE1 H 1 10.322 0.03 . 1 . . . . 503 TRP HE1 . 18398 1 331 . 1 1 29 29 TRP HE3 H 1 7.278 0.03 . 1 . . . . 503 TRP HE3 . 18398 1 332 . 1 1 29 29 TRP HZ2 H 1 7.450 0.03 . 1 . . . . 503 TRP HZ2 . 18398 1 333 . 1 1 29 29 TRP HZ3 H 1 6.992 0.03 . 1 . . . . 503 TRP HZ3 . 18398 1 334 . 1 1 29 29 TRP HH2 H 1 7.177 0.03 . 1 . . . . 503 TRP HH2 . 18398 1 335 . 1 1 29 29 TRP C C 13 176.024 0.3 . 1 . . . . 503 TRP C . 18398 1 336 . 1 1 29 29 TRP CA C 13 55.164 0.3 . 1 . . . . 503 TRP CA . 18398 1 337 . 1 1 29 29 TRP CB C 13 32.749 0.3 . 1 . . . . 503 TRP CB . 18398 1 338 . 1 1 29 29 TRP CD1 C 13 125.676 0.3 . 1 . . . . 503 TRP CD1 . 18398 1 339 . 1 1 29 29 TRP CE3 C 13 120.279 0.3 . 1 . . . . 503 TRP CE3 . 18398 1 340 . 1 1 29 29 TRP CZ2 C 13 114.509 0.3 . 1 . . . . 503 TRP CZ2 . 18398 1 341 . 1 1 29 29 TRP CZ3 C 13 121.965 0.3 . 1 . . . . 503 TRP CZ3 . 18398 1 342 . 1 1 29 29 TRP CH2 C 13 124.375 0.3 . 1 . . . . 503 TRP CH2 . 18398 1 343 . 1 1 29 29 TRP N N 15 116.042 0.3 . 1 . . . . 503 TRP N . 18398 1 344 . 1 1 29 29 TRP NE1 N 15 128.914 0.3 . 1 . . . . 503 TRP NE1 . 18398 1 345 . 1 1 30 30 LEU H H 1 9.606 0.03 . 1 . . . . 504 LEU HN . 18398 1 346 . 1 1 30 30 LEU HA H 1 4.996 0.03 . 1 . . . . 504 LEU HA . 18398 1 347 . 1 1 30 30 LEU HB2 H 1 1.562 0.03 . 2 . . . . 504 LEU HB2 . 18398 1 348 . 1 1 30 30 LEU HB3 H 1 1.950 0.03 . 2 . . . . 504 LEU HB3 . 18398 1 349 . 1 1 30 30 LEU HG H 1 1.425 0.03 . 1 . . . . 504 LEU HG . 18398 1 350 . 1 1 30 30 LEU HD11 H 1 0.728 0.03 . 2 . . . . 504 LEU HD11 . 18398 1 351 . 1 1 30 30 LEU HD12 H 1 0.728 0.03 . 2 . . . . 504 LEU HD12 . 18398 1 352 . 1 1 30 30 LEU HD13 H 1 0.728 0.03 . 2 . . . . 504 LEU HD13 . 18398 1 353 . 1 1 30 30 LEU HD21 H 1 0.728 0.03 . 2 . . . . 504 LEU HD21 . 18398 1 354 . 1 1 30 30 LEU HD22 H 1 0.728 0.03 . 2 . . . . 504 LEU HD22 . 18398 1 355 . 1 1 30 30 LEU HD23 H 1 0.728 0.03 . 2 . . . . 504 LEU HD23 . 18398 1 356 . 1 1 30 30 LEU C C 13 174.915 0.3 . 1 . . . . 504 LEU C . 18398 1 357 . 1 1 30 30 LEU CA C 13 54.910 0.3 . 1 . . . . 504 LEU CA . 18398 1 358 . 1 1 30 30 LEU CB C 13 44.142 0.3 . 1 . . . . 504 LEU CB . 18398 1 359 . 1 1 30 30 LEU CG C 13 27.880 0.3 . 1 . . . . 504 LEU CG . 18398 1 360 . 1 1 30 30 LEU CD1 C 13 25.451 0.3 . 2 . . . . 504 LEU CD1 . 18398 1 361 . 1 1 30 30 LEU CD2 C 13 25.451 0.3 . 2 . . . . 504 LEU CD2 . 18398 1 362 . 1 1 30 30 LEU N N 15 125.245 0.3 . 1 . . . . 504 LEU N . 18398 1 363 . 1 1 31 31 ARG H H 1 9.284 0.03 . 1 . . . . 505 ARG HN . 18398 1 364 . 1 1 31 31 ARG HA H 1 4.948 0.03 . 1 . . . . 505 ARG HA . 18398 1 365 . 1 1 31 31 ARG HB2 H 1 1.588 0.03 . 2 . . . . 505 ARG HB2 . 18398 1 366 . 1 1 31 31 ARG HB3 H 1 1.726 0.03 . 2 . . . . 505 ARG HB3 . 18398 1 367 . 1 1 31 31 ARG HG2 H 1 1.352 0.03 . 2 . . . . 505 ARG HG2 . 18398 1 368 . 1 1 31 31 ARG HG3 H 1 1.412 0.03 . 2 . . . . 505 ARG HG3 . 18398 1 369 . 1 1 31 31 ARG HD2 H 1 2.940 0.03 . 2 . . . . 505 ARG HD2 . 18398 1 370 . 1 1 31 31 ARG HD3 H 1 2.940 0.03 . 2 . . . . 505 ARG HD3 . 18398 1 371 . 1 1 31 31 ARG C C 13 174.821 0.3 . 1 . . . . 505 ARG C . 18398 1 372 . 1 1 31 31 ARG CA C 13 54.814 0.3 . 1 . . . . 505 ARG CA . 18398 1 373 . 1 1 31 31 ARG CB C 13 32.406 0.3 . 1 . . . . 505 ARG CB . 18398 1 374 . 1 1 31 31 ARG CG C 13 27.778 0.3 . 1 . . . . 505 ARG CG . 18398 1 375 . 1 1 31 31 ARG CD C 13 43.082 0.3 . 1 . . . . 505 ARG CD . 18398 1 376 . 1 1 31 31 ARG N N 15 125.772 0.3 . 1 . . . . 505 ARG N . 18398 1 377 . 1 1 32 32 ILE H H 1 8.491 0.03 . 1 . . . . 506 ILE HN . 18398 1 378 . 1 1 32 32 ILE HA H 1 3.994 0.03 . 1 . . . . 506 ILE HA . 18398 1 379 . 1 1 32 32 ILE HB H 1 1.995 0.03 . 1 . . . . 506 ILE HB . 18398 1 380 . 1 1 32 32 ILE HG12 H 1 1.080 0.03 . 2 . . . . 506 ILE HG12 . 18398 1 381 . 1 1 32 32 ILE HG13 H 1 0.949 0.03 . 2 . . . . 506 ILE HG13 . 18398 1 382 . 1 1 32 32 ILE HG21 H 1 0.597 0.03 . 1 . . . . 506 ILE HG21 . 18398 1 383 . 1 1 32 32 ILE HG22 H 1 0.597 0.03 . 1 . . . . 506 ILE HG22 . 18398 1 384 . 1 1 32 32 ILE HG23 H 1 0.597 0.03 . 1 . . . . 506 ILE HG23 . 18398 1 385 . 1 1 32 32 ILE HD11 H 1 0.167 0.03 . 1 . . . . 506 ILE HD11 . 18398 1 386 . 1 1 32 32 ILE HD12 H 1 0.167 0.03 . 1 . . . . 506 ILE HD12 . 18398 1 387 . 1 1 32 32 ILE HD13 H 1 0.167 0.03 . 1 . . . . 506 ILE HD13 . 18398 1 388 . 1 1 32 32 ILE C C 13 175.281 0.3 . 1 . . . . 506 ILE C . 18398 1 389 . 1 1 32 32 ILE CA C 13 60.847 0.3 . 1 . . . . 506 ILE CA . 18398 1 390 . 1 1 32 32 ILE CB C 13 36.316 0.3 . 1 . . . . 506 ILE CB . 18398 1 391 . 1 1 32 32 ILE CG1 C 13 27.785 0.3 . 1 . . . . 506 ILE CG1 . 18398 1 392 . 1 1 32 32 ILE CG2 C 13 18.560 0.3 . 1 . . . . 506 ILE CG2 . 18398 1 393 . 1 1 32 32 ILE CD1 C 13 11.488 0.3 . 1 . . . . 506 ILE CD1 . 18398 1 394 . 1 1 32 32 ILE N N 15 125.306 0.3 . 1 . . . . 506 ILE N . 18398 1 395 . 1 1 33 33 GLU H H 1 8.357 0.03 . 1 . . . . 507 GLU HN . 18398 1 396 . 1 1 33 33 GLU HA H 1 4.419 0.03 . 1 . . . . 507 GLU HA . 18398 1 397 . 1 1 33 33 GLU HB2 H 1 1.680 0.03 . 2 . . . . 507 GLU HB2 . 18398 1 398 . 1 1 33 33 GLU HB3 H 1 1.882 0.03 . 2 . . . . 507 GLU HB3 . 18398 1 399 . 1 1 33 33 GLU HG2 H 1 2.006 0.03 . 2 . . . . 507 GLU HG2 . 18398 1 400 . 1 1 33 33 GLU HG3 H 1 2.084 0.03 . 2 . . . . 507 GLU HG3 . 18398 1 401 . 1 1 33 33 GLU C C 13 176.684 0.3 . 1 . . . . 507 GLU C . 18398 1 402 . 1 1 33 33 GLU CA C 13 57.148 0.3 . 1 . . . . 507 GLU CA . 18398 1 403 . 1 1 33 33 GLU CB C 13 31.671 0.3 . 1 . . . . 507 GLU CB . 18398 1 404 . 1 1 33 33 GLU CG C 13 36.479 0.3 . 1 . . . . 507 GLU CG . 18398 1 405 . 1 1 33 33 GLU N N 15 127.382 0.3 . 1 . . . . 507 GLU N . 18398 1 406 . 1 1 34 34 ASP H H 1 7.887 0.03 . 1 . . . . 508 ASP HN . 18398 1 407 . 1 1 34 34 ASP HA H 1 4.899 0.03 . 1 . . . . 508 ASP HA . 18398 1 408 . 1 1 34 34 ASP HB2 H 1 2.560 0.03 . 2 . . . . 508 ASP HB2 . 18398 1 409 . 1 1 34 34 ASP HB3 H 1 2.739 0.03 . 2 . . . . 508 ASP HB3 . 18398 1 410 . 1 1 34 34 ASP CA C 13 53.407 0.3 . 1 . . . . 508 ASP CA . 18398 1 411 . 1 1 34 34 ASP CB C 13 41.950 0.3 . 1 . . . . 508 ASP CB . 18398 1 412 . 1 1 34 34 ASP N N 15 117.669 0.3 . 1 . . . . 508 ASP N . 18398 1 413 . 1 1 35 35 ILE H H 1 8.538 0.03 . 1 . . . . 509 ILE HN . 18398 1 414 . 1 1 35 35 ILE HA H 1 3.943 0.03 . 1 . . . . 509 ILE HA . 18398 1 415 . 1 1 35 35 ILE HB H 1 2.200 0.03 . 1 . . . . 509 ILE HB . 18398 1 416 . 1 1 35 35 ILE HG12 H 1 1.438 0.03 . 2 . . . . 509 ILE HG12 . 18398 1 417 . 1 1 35 35 ILE HG13 H 1 1.398 0.03 . 2 . . . . 509 ILE HG13 . 18398 1 418 . 1 1 35 35 ILE HG21 H 1 1.035 0.03 . 1 . . . . 509 ILE HG21 . 18398 1 419 . 1 1 35 35 ILE HG22 H 1 1.035 0.03 . 1 . . . . 509 ILE HG22 . 18398 1 420 . 1 1 35 35 ILE HG23 H 1 1.035 0.03 . 1 . . . . 509 ILE HG23 . 18398 1 421 . 1 1 35 35 ILE HD11 H 1 0.996 0.03 . 1 . . . . 509 ILE HD11 . 18398 1 422 . 1 1 35 35 ILE HD12 H 1 0.996 0.03 . 1 . . . . 509 ILE HD12 . 18398 1 423 . 1 1 35 35 ILE HD13 H 1 0.996 0.03 . 1 . . . . 509 ILE HD13 . 18398 1 424 . 1 1 35 35 ILE C C 13 178.055 0.3 . 1 . . . . 509 ILE C . 18398 1 425 . 1 1 35 35 ILE CA C 13 63.774 0.3 . 1 . . . . 509 ILE CA . 18398 1 426 . 1 1 35 35 ILE CB C 13 38.158 0.3 . 1 . . . . 509 ILE CB . 18398 1 427 . 1 1 35 35 ILE CG1 C 13 26.750 0.3 . 1 . . . . 509 ILE CG1 . 18398 1 428 . 1 1 35 35 ILE CG2 C 13 18.999 0.3 . 1 . . . . 509 ILE CG2 . 18398 1 429 . 1 1 35 35 ILE CD1 C 13 14.815 0.3 . 1 . . . . 509 ILE CD1 . 18398 1 430 . 1 1 35 35 ILE N N 15 120.454 0.3 . 1 . . . . 509 ILE N . 18398 1 431 . 1 1 36 36 LYS H H 1 8.229 0.03 . 1 . . . . 510 LYS HN . 18398 1 432 . 1 1 36 36 LYS HA H 1 4.196 0.03 . 1 . . . . 510 LYS HA . 18398 1 433 . 1 1 36 36 LYS HB2 H 1 1.884 0.03 . 2 . . . . 510 LYS HB2 . 18398 1 434 . 1 1 36 36 LYS HB3 H 1 2.032 0.03 . 2 . . . . 510 LYS HB3 . 18398 1 435 . 1 1 36 36 LYS HG2 H 1 1.526 0.03 . 2 . . . . 510 LYS HG2 . 18398 1 436 . 1 1 36 36 LYS HG3 H 1 1.575 0.03 . 2 . . . . 510 LYS HG3 . 18398 1 437 . 1 1 36 36 LYS HD2 H 1 1.759 0.03 . 2 . . . . 510 LYS HD2 . 18398 1 438 . 1 1 36 36 LYS HD3 H 1 1.785 0.03 . 2 . . . . 510 LYS HD3 . 18398 1 439 . 1 1 36 36 LYS HE2 H 1 3.045 0.03 . 2 . . . . 510 LYS HE2 . 18398 1 440 . 1 1 36 36 LYS HE3 H 1 3.045 0.03 . 2 . . . . 510 LYS HE3 . 18398 1 441 . 1 1 36 36 LYS C C 13 178.268 0.3 . 1 . . . . 510 LYS C . 18398 1 442 . 1 1 36 36 LYS CA C 13 58.434 0.3 . 1 . . . . 510 LYS CA . 18398 1 443 . 1 1 36 36 LYS CB C 13 31.556 0.3 . 1 . . . . 510 LYS CB . 18398 1 444 . 1 1 36 36 LYS CG C 13 25.244 0.3 . 1 . . . . 510 LYS CG . 18398 1 445 . 1 1 36 36 LYS CD C 13 28.975 0.3 . 1 . . . . 510 LYS CD . 18398 1 446 . 1 1 36 36 LYS CE C 13 41.720 0.3 . 1 . . . . 510 LYS CE . 18398 1 447 . 1 1 36 36 LYS N N 15 119.508 0.3 . 1 . . . . 510 LYS N . 18398 1 448 . 1 1 37 37 LYS H H 1 7.535 0.03 . 1 . . . . 511 LYS HN . 18398 1 449 . 1 1 37 37 LYS HA H 1 4.356 0.03 . 1 . . . . 511 LYS HA . 18398 1 450 . 1 1 37 37 LYS HB2 H 1 1.736 0.03 . 2 . . . . 511 LYS HB2 . 18398 1 451 . 1 1 37 37 LYS HB3 H 1 2.034 0.03 . 2 . . . . 511 LYS HB3 . 18398 1 452 . 1 1 37 37 LYS HG2 H 1 1.315 0.03 . 2 . . . . 511 LYS HG2 . 18398 1 453 . 1 1 37 37 LYS HG3 H 1 1.384 0.03 . 2 . . . . 511 LYS HG3 . 18398 1 454 . 1 1 37 37 LYS HD2 H 1 1.503 0.03 . 2 . . . . 511 LYS HD2 . 18398 1 455 . 1 1 37 37 LYS HD3 H 1 1.623 0.03 . 2 . . . . 511 LYS HD3 . 18398 1 456 . 1 1 37 37 LYS HE2 H 1 2.975 0.03 . 2 . . . . 511 LYS HE2 . 18398 1 457 . 1 1 37 37 LYS HE3 H 1 2.975 0.03 . 2 . . . . 511 LYS HE3 . 18398 1 458 . 1 1 37 37 LYS C C 13 176.114 0.3 . 1 . . . . 511 LYS C . 18398 1 459 . 1 1 37 37 LYS CA C 13 56.046 0.3 . 1 . . . . 511 LYS CA . 18398 1 460 . 1 1 37 37 LYS CB C 13 33.429 0.3 . 1 . . . . 511 LYS CB . 18398 1 461 . 1 1 37 37 LYS CG C 13 25.607 0.3 . 1 . . . . 511 LYS CG . 18398 1 462 . 1 1 37 37 LYS CD C 13 29.106 0.3 . 1 . . . . 511 LYS CD . 18398 1 463 . 1 1 37 37 LYS CE C 13 42.365 0.3 . 1 . . . . 511 LYS CE . 18398 1 464 . 1 1 37 37 LYS N N 15 116.115 0.3 . 1 . . . . 511 LYS N . 18398 1 465 . 1 1 38 38 LEU H H 1 7.335 0.03 . 1 . . . . 512 LEU HN . 18398 1 466 . 1 1 38 38 LEU HA H 1 4.726 0.03 . 1 . . . . 512 LEU HA . 18398 1 467 . 1 1 38 38 LEU HB2 H 1 1.834 0.03 . 2 . . . . 512 LEU HB2 . 18398 1 468 . 1 1 38 38 LEU HB3 H 1 2.212 0.03 . 2 . . . . 512 LEU HB3 . 18398 1 469 . 1 1 38 38 LEU HG H 1 1.683 0.03 . 1 . . . . 512 LEU HG . 18398 1 470 . 1 1 38 38 LEU HD11 H 1 0.696 0.03 . 2 . . . . 512 LEU HD11 . 18398 1 471 . 1 1 38 38 LEU HD12 H 1 0.696 0.03 . 2 . . . . 512 LEU HD12 . 18398 1 472 . 1 1 38 38 LEU HD13 H 1 0.696 0.03 . 2 . . . . 512 LEU HD13 . 18398 1 473 . 1 1 38 38 LEU HD21 H 1 0.852 0.03 . 2 . . . . 512 LEU HD21 . 18398 1 474 . 1 1 38 38 LEU HD22 H 1 0.852 0.03 . 2 . . . . 512 LEU HD22 . 18398 1 475 . 1 1 38 38 LEU HD23 H 1 0.852 0.03 . 2 . . . . 512 LEU HD23 . 18398 1 476 . 1 1 38 38 LEU CA C 13 53.853 0.3 . 1 . . . . 512 LEU CA . 18398 1 477 . 1 1 38 38 LEU CB C 13 43.666 0.3 . 1 . . . . 512 LEU CB . 18398 1 478 . 1 1 38 38 LEU CG C 13 27.470 0.3 . 1 . . . . 512 LEU CG . 18398 1 479 . 1 1 38 38 LEU CD1 C 13 27.459 0.3 . 2 . . . . 512 LEU CD1 . 18398 1 480 . 1 1 38 38 LEU CD2 C 13 23.359 0.3 . 2 . . . . 512 LEU CD2 . 18398 1 481 . 1 1 38 38 LEU N N 15 120.630 0.3 . 1 . . . . 512 LEU N . 18398 1 482 . 1 1 39 39 LYS HA H 1 4.359 0.03 . 1 . . . . 513 LYS HA . 18398 1 483 . 1 1 39 39 LYS HB2 H 1 1.730 0.03 . 2 . . . . 513 LYS HB2 . 18398 1 484 . 1 1 39 39 LYS HB3 H 1 1.870 0.03 . 2 . . . . 513 LYS HB3 . 18398 1 485 . 1 1 39 39 LYS HG2 H 1 1.315 0.03 . 2 . . . . 513 LYS HG2 . 18398 1 486 . 1 1 39 39 LYS HG3 H 1 1.365 0.03 . 2 . . . . 513 LYS HG3 . 18398 1 487 . 1 1 39 39 LYS HD2 H 1 1.686 0.03 . 2 . . . . 513 LYS HD2 . 18398 1 488 . 1 1 39 39 LYS HD3 H 1 1.619 0.03 . 2 . . . . 513 LYS HD3 . 18398 1 489 . 1 1 39 39 LYS HE2 H 1 3.032 0.03 . 2 . . . . 513 LYS HE2 . 18398 1 490 . 1 1 39 39 LYS HE3 H 1 3.032 0.03 . 2 . . . . 513 LYS HE3 . 18398 1 491 . 1 1 39 39 LYS C C 13 179.587 0.3 . 1 . . . . 513 LYS C . 18398 1 492 . 1 1 39 39 LYS CA C 13 56.913 0.3 . 1 . . . . 513 LYS CA . 18398 1 493 . 1 1 39 39 LYS CB C 13 33.483 0.3 . 1 . . . . 513 LYS CB . 18398 1 494 . 1 1 39 39 LYS CG C 13 25.507 0.3 . 1 . . . . 513 LYS CG . 18398 1 495 . 1 1 39 39 LYS CD C 13 28.790 0.3 . 1 . . . . 513 LYS CD . 18398 1 496 . 1 1 39 39 LYS CE C 13 42.458 0.3 . 1 . . . . 513 LYS CE . 18398 1 497 . 1 1 40 40 GLY H H 1 8.913 0.03 . 1 . . . . 514 GLY HN . 18398 1 498 . 1 1 40 40 GLY HA2 H 1 3.378 0.03 . 2 . . . . 514 GLY HA2 . 18398 1 499 . 1 1 40 40 GLY HA3 H 1 4.116 0.03 . 2 . . . . 514 GLY HA3 . 18398 1 500 . 1 1 40 40 GLY C C 13 171.575 0.3 . 1 . . . . 514 GLY C . 18398 1 501 . 1 1 40 40 GLY CA C 13 44.730 0.3 . 1 . . . . 514 GLY CA . 18398 1 502 . 1 1 40 40 GLY N N 15 108.296 0.3 . 1 . . . . 514 GLY N . 18398 1 503 . 1 1 41 41 LYS H H 1 7.643 0.03 . 1 . . . . 515 LYS HN . 18398 1 504 . 1 1 41 41 LYS HA H 1 4.425 0.03 . 1 . . . . 515 LYS HA . 18398 1 505 . 1 1 41 41 LYS HB2 H 1 1.563 0.03 . 2 . . . . 515 LYS HB2 . 18398 1 506 . 1 1 41 41 LYS HB3 H 1 1.639 0.03 . 2 . . . . 515 LYS HB3 . 18398 1 507 . 1 1 41 41 LYS HG2 H 1 1.267 0.03 . 2 . . . . 515 LYS HG2 . 18398 1 508 . 1 1 41 41 LYS HG3 H 1 1.365 0.03 . 2 . . . . 515 LYS HG3 . 18398 1 509 . 1 1 41 41 LYS HD2 H 1 1.623 0.03 . 2 . . . . 515 LYS HD2 . 18398 1 510 . 1 1 41 41 LYS HD3 H 1 1.623 0.03 . 2 . . . . 515 LYS HD3 . 18398 1 511 . 1 1 41 41 LYS HE2 H 1 2.971 0.03 . 2 . . . . 515 LYS HE2 . 18398 1 512 . 1 1 41 41 LYS HE3 H 1 2.971 0.03 . 2 . . . . 515 LYS HE3 . 18398 1 513 . 1 1 41 41 LYS C C 13 175.180 0.3 . 1 . . . . 515 LYS C . 18398 1 514 . 1 1 41 41 LYS CA C 13 54.960 0.3 . 1 . . . . 515 LYS CA . 18398 1 515 . 1 1 41 41 LYS CB C 13 32.372 0.3 . 1 . . . . 515 LYS CB . 18398 1 516 . 1 1 41 41 LYS CG C 13 24.511 0.3 . 1 . . . . 515 LYS CG . 18398 1 517 . 1 1 41 41 LYS CD C 13 28.992 0.3 . 1 . . . . 515 LYS CD . 18398 1 518 . 1 1 41 41 LYS CE C 13 42.228 0.3 . 1 . . . . 515 LYS CE . 18398 1 519 . 1 1 41 41 LYS N N 15 119.531 0.3 . 1 . . . . 515 LYS N . 18398 1 520 . 1 1 42 42 TYR H H 1 7.492 0.03 . 1 . . . . 516 TYR HN . 18398 1 521 . 1 1 42 42 TYR HA H 1 4.764 0.03 . 1 . . . . 516 TYR HA . 18398 1 522 . 1 1 42 42 TYR HB2 H 1 2.442 0.03 . 2 . . . . 516 TYR HB2 . 18398 1 523 . 1 1 42 42 TYR HB3 H 1 3.301 0.03 . 2 . . . . 516 TYR HB3 . 18398 1 524 . 1 1 42 42 TYR HD1 H 1 7.032 0.03 . 3 . . . . 516 TYR HD1 . 18398 1 525 . 1 1 42 42 TYR HD2 H 1 7.032 0.03 . 3 . . . . 516 TYR HD2 . 18398 1 526 . 1 1 42 42 TYR HE1 H 1 6.943 0.03 . 3 . . . . 516 TYR HE1 . 18398 1 527 . 1 1 42 42 TYR HE2 H 1 6.943 0.03 . 3 . . . . 516 TYR HE2 . 18398 1 528 . 1 1 42 42 TYR C C 13 175.392 0.3 . 1 . . . . 516 TYR C . 18398 1 529 . 1 1 42 42 TYR CA C 13 56.416 0.3 . 1 . . . . 516 TYR CA . 18398 1 530 . 1 1 42 42 TYR CB C 13 41.766 0.3 . 1 . . . . 516 TYR CB . 18398 1 531 . 1 1 42 42 TYR CD1 C 13 133.600 0.3 . 3 . . . . 516 TYR CD1 . 18398 1 532 . 1 1 42 42 TYR CD2 C 13 133.600 0.3 . 3 . . . . 516 TYR CD2 . 18398 1 533 . 1 1 42 42 TYR CE1 C 13 117.600 0.3 . 3 . . . . 516 TYR CE1 . 18398 1 534 . 1 1 42 42 TYR CE2 C 13 117.600 0.3 . 3 . . . . 516 TYR CE2 . 18398 1 535 . 1 1 42 42 TYR N N 15 121.584 0.3 . 1 . . . . 516 TYR N . 18398 1 536 . 1 1 43 43 LYS H H 1 8.850 0.03 . 1 . . . . 517 LYS HN . 18398 1 537 . 1 1 43 43 LYS HA H 1 4.372 0.03 . 1 . . . . 517 LYS HA . 18398 1 538 . 1 1 43 43 LYS HB2 H 1 1.736 0.03 . 2 . . . . 517 LYS HB2 . 18398 1 539 . 1 1 43 43 LYS HB3 H 1 1.866 0.03 . 2 . . . . 517 LYS HB3 . 18398 1 540 . 1 1 43 43 LYS HG2 H 1 1.525 0.03 . 2 . . . . 517 LYS HG2 . 18398 1 541 . 1 1 43 43 LYS HG3 H 1 1.525 0.03 . 2 . . . . 517 LYS HG3 . 18398 1 542 . 1 1 43 43 LYS HD2 H 1 1.730 0.03 . 2 . . . . 517 LYS HD2 . 18398 1 543 . 1 1 43 43 LYS HD3 H 1 1.730 0.03 . 2 . . . . 517 LYS HD3 . 18398 1 544 . 1 1 43 43 LYS HE2 H 1 3.047 0.03 . 2 . . . . 517 LYS HE2 . 18398 1 545 . 1 1 43 43 LYS HE3 H 1 3.047 0.03 . 2 . . . . 517 LYS HE3 . 18398 1 546 . 1 1 43 43 LYS C C 13 176.264 0.3 . 1 . . . . 517 LYS C . 18398 1 547 . 1 1 43 43 LYS CA C 13 56.096 0.3 . 1 . . . . 517 LYS CA . 18398 1 548 . 1 1 43 43 LYS CB C 13 33.438 0.3 . 1 . . . . 517 LYS CB . 18398 1 549 . 1 1 43 43 LYS CG C 13 24.938 0.3 . 1 . . . . 517 LYS CG . 18398 1 550 . 1 1 43 43 LYS CD C 13 29.377 0.3 . 1 . . . . 517 LYS CD . 18398 1 551 . 1 1 43 43 LYS CE C 13 42.375 0.3 . 1 . . . . 517 LYS CE . 18398 1 552 . 1 1 43 43 LYS N N 15 121.527 0.3 . 1 . . . . 517 LYS N . 18398 1 553 . 1 1 44 44 ASP H H 1 8.238 0.03 . 1 . . . . 518 ASP HN . 18398 1 554 . 1 1 44 44 ASP HA H 1 4.331 0.03 . 1 . . . . 518 ASP HA . 18398 1 555 . 1 1 44 44 ASP HB2 H 1 2.577 0.03 . 2 . . . . 518 ASP HB2 . 18398 1 556 . 1 1 44 44 ASP HB3 H 1 2.577 0.03 . 2 . . . . 518 ASP HB3 . 18398 1 557 . 1 1 44 44 ASP C C 13 177.001 0.3 . 1 . . . . 518 ASP C . 18398 1 558 . 1 1 44 44 ASP CA C 13 55.789 0.3 . 1 . . . . 518 ASP CA . 18398 1 559 . 1 1 44 44 ASP CB C 13 41.076 0.3 . 1 . . . . 518 ASP CB . 18398 1 560 . 1 1 44 44 ASP N N 15 120.203 0.3 . 1 . . . . 518 ASP N . 18398 1 561 . 1 1 45 45 ASN H H 1 8.676 0.03 . 1 . . . . 519 ASN HN . 18398 1 562 . 1 1 45 45 ASN HA H 1 4.482 0.03 . 1 . . . . 519 ASN HA . 18398 1 563 . 1 1 45 45 ASN HB2 H 1 2.804 0.03 . 2 . . . . 519 ASN HB2 . 18398 1 564 . 1 1 45 45 ASN HB3 H 1 2.917 0.03 . 2 . . . . 519 ASN HB3 . 18398 1 565 . 1 1 45 45 ASN HD21 H 1 7.495 0.03 . 2 . . . . 519 ASN HD21 . 18398 1 566 . 1 1 45 45 ASN HD22 H 1 6.799 0.03 . 2 . . . . 519 ASN HD22 . 18398 1 567 . 1 1 45 45 ASN C C 13 174.732 0.3 . 1 . . . . 519 ASN C . 18398 1 568 . 1 1 45 45 ASN CA C 13 54.180 0.3 . 1 . . . . 519 ASN CA . 18398 1 569 . 1 1 45 45 ASN CB C 13 38.097 0.3 . 1 . . . . 519 ASN CB . 18398 1 570 . 1 1 45 45 ASN N N 15 117.358 0.3 . 1 . . . . 519 ASN N . 18398 1 571 . 1 1 45 45 ASN ND2 N 15 112.790 0.3 . 1 . . . . 519 ASN ND2 . 18398 1 572 . 1 1 46 46 GLU H H 1 7.660 0.03 . 1 . . . . 520 GLU HN . 18398 1 573 . 1 1 46 46 GLU HA H 1 4.135 0.03 . 1 . . . . 520 GLU HA . 18398 1 574 . 1 1 46 46 GLU HB2 H 1 1.921 0.03 . 2 . . . . 520 GLU HB2 . 18398 1 575 . 1 1 46 46 GLU HB3 H 1 2.271 0.03 . 2 . . . . 520 GLU HB3 . 18398 1 576 . 1 1 46 46 GLU HG2 H 1 2.287 0.03 . 2 . . . . 520 GLU HG2 . 18398 1 577 . 1 1 46 46 GLU HG3 H 1 2.287 0.03 . 2 . . . . 520 GLU HG3 . 18398 1 578 . 1 1 46 46 GLU C C 13 174.645 0.3 . 1 . . . . 520 GLU C . 18398 1 579 . 1 1 46 46 GLU CA C 13 57.664 0.3 . 1 . . . . 520 GLU CA . 18398 1 580 . 1 1 46 46 GLU CB C 13 30.613 0.3 . 1 . . . . 520 GLU CB . 18398 1 581 . 1 1 46 46 GLU CG C 13 36.293 0.3 . 1 . . . . 520 GLU CG . 18398 1 582 . 1 1 46 46 GLU N N 15 120.445 0.3 . 1 . . . . 520 GLU N . 18398 1 583 . 1 1 47 47 ALA H H 1 8.278 0.03 . 1 . . . . 521 ALA HN . 18398 1 584 . 1 1 47 47 ALA HA H 1 5.310 0.03 . 1 . . . . 521 ALA HA . 18398 1 585 . 1 1 47 47 ALA HB1 H 1 1.055 0.03 . 1 . . . . 521 ALA HB2 . 18398 1 586 . 1 1 47 47 ALA HB2 H 1 1.055 0.03 . 1 . . . . 521 ALA HB2 . 18398 1 587 . 1 1 47 47 ALA HB3 H 1 1.055 0.03 . 1 . . . . 521 ALA HB3 . 18398 1 588 . 1 1 47 47 ALA C C 13 176.676 0.3 . 1 . . . . 521 ALA C . 18398 1 589 . 1 1 47 47 ALA CA C 13 51.002 0.3 . 1 . . . . 521 ALA CA . 18398 1 590 . 1 1 47 47 ALA CB C 13 21.590 0.3 . 1 . . . . 521 ALA CB . 18398 1 591 . 1 1 47 47 ALA N N 15 126.341 0.3 . 1 . . . . 521 ALA N . 18398 1 592 . 1 1 48 48 ILE H H 1 9.097 0.03 . 1 . . . . 522 ILE HN . 18398 1 593 . 1 1 48 48 ILE HA H 1 4.360 0.03 . 1 . . . . 522 ILE HA . 18398 1 594 . 1 1 48 48 ILE HB H 1 1.803 0.03 . 1 . . . . 522 ILE HB . 18398 1 595 . 1 1 48 48 ILE HG12 H 1 1.038 0.03 . 2 . . . . 522 ILE HG12 . 18398 1 596 . 1 1 48 48 ILE HG13 H 1 1.497 0.03 . 2 . . . . 522 ILE HG13 . 18398 1 597 . 1 1 48 48 ILE HG21 H 1 0.744 0.03 . 1 . . . . 522 ILE HG21 . 18398 1 598 . 1 1 48 48 ILE HG22 H 1 0.744 0.03 . 1 . . . . 522 ILE HG22 . 18398 1 599 . 1 1 48 48 ILE HG23 H 1 0.744 0.03 . 1 . . . . 522 ILE HG23 . 18398 1 600 . 1 1 48 48 ILE HD11 H 1 0.786 0.03 . 1 . . . . 522 ILE HD11 . 18398 1 601 . 1 1 48 48 ILE HD12 H 1 0.786 0.03 . 1 . . . . 522 ILE HD12 . 18398 1 602 . 1 1 48 48 ILE HD13 H 1 0.786 0.03 . 1 . . . . 522 ILE HD13 . 18398 1 603 . 1 1 48 48 ILE C C 13 174.886 0.3 . 1 . . . . 522 ILE C . 18398 1 604 . 1 1 48 48 ILE CA C 13 60.827 0.3 . 1 . . . . 522 ILE CA . 18398 1 605 . 1 1 48 48 ILE CB C 13 41.311 0.3 . 1 . . . . 522 ILE CB . 18398 1 606 . 1 1 48 48 ILE CG1 C 13 27.905 0.3 . 1 . . . . 522 ILE CG1 . 18398 1 607 . 1 1 48 48 ILE CG2 C 13 17.644 0.3 . 1 . . . . 522 ILE CG2 . 18398 1 608 . 1 1 48 48 ILE CD1 C 13 14.376 0.3 . 1 . . . . 522 ILE CD1 . 18398 1 609 . 1 1 48 48 ILE N N 15 123.805 0.3 . 1 . . . . 522 ILE N . 18398 1 610 . 1 1 49 49 GLU H H 1 8.698 0.03 . 1 . . . . 523 GLU HN . 18398 1 611 . 1 1 49 49 GLU HA H 1 5.001 0.03 . 1 . . . . 523 GLU HA . 18398 1 612 . 1 1 49 49 GLU HB2 H 1 1.503 0.03 . 2 . . . . 523 GLU HB2 . 18398 1 613 . 1 1 49 49 GLU HB3 H 1 1.741 0.03 . 2 . . . . 523 GLU HB3 . 18398 1 614 . 1 1 49 49 GLU HG2 H 1 1.557 0.03 . 2 . . . . 523 GLU HG2 . 18398 1 615 . 1 1 49 49 GLU HG3 H 1 1.750 0.03 . 2 . . . . 523 GLU HG3 . 18398 1 616 . 1 1 49 49 GLU C C 13 175.795 0.3 . 1 . . . . 523 GLU C . 18398 1 617 . 1 1 49 49 GLU CA C 13 55.316 0.3 . 1 . . . . 523 GLU CA . 18398 1 618 . 1 1 49 49 GLU CB C 13 31.316 0.3 . 1 . . . . 523 GLU CB . 18398 1 619 . 1 1 49 49 GLU CG C 13 36.687 0.3 . 1 . . . . 523 GLU CG . 18398 1 620 . 1 1 49 49 GLU N N 15 130.049 0.3 . 1 . . . . 523 GLU N . 18398 1 621 . 1 1 50 50 PHE H H 1 8.980 0.03 . 1 . . . . 524 PHE HN . 18398 1 622 . 1 1 50 50 PHE HA H 1 4.940 0.03 . 1 . . . . 524 PHE HA . 18398 1 623 . 1 1 50 50 PHE HB2 H 1 3.064 0.03 . 2 . . . . 524 PHE HB2 . 18398 1 624 . 1 1 50 50 PHE HB3 H 1 3.064 0.03 . 2 . . . . 524 PHE HB3 . 18398 1 625 . 1 1 50 50 PHE HD1 H 1 7.161 0.03 . 3 . . . . 524 PHE HD1 . 18398 1 626 . 1 1 50 50 PHE HD2 H 1 7.161 0.03 . 3 . . . . 524 PHE HD2 . 18398 1 627 . 1 1 50 50 PHE HE1 H 1 6.999 0.03 . 3 . . . . 524 PHE HE1 . 18398 1 628 . 1 1 50 50 PHE HE2 H 1 6.999 0.03 . 3 . . . . 524 PHE HE2 . 18398 1 629 . 1 1 50 50 PHE HZ H 1 6.870 0.03 . 1 . . . . 524 PHE HZ . 18398 1 630 . 1 1 50 50 PHE C C 13 171.883 0.3 . 1 . . . . 524 PHE C . 18398 1 631 . 1 1 50 50 PHE CA C 13 56.061 0.3 . 1 . . . . 524 PHE CA . 18398 1 632 . 1 1 50 50 PHE CB C 13 40.353 0.3 . 1 . . . . 524 PHE CB . 18398 1 633 . 1 1 50 50 PHE CD1 C 13 133.205 0.3 . 3 . . . . 524 PHE CD1 . 18398 1 634 . 1 1 50 50 PHE CD2 C 13 133.205 0.3 . 3 . . . . 524 PHE CD2 . 18398 1 635 . 1 1 50 50 PHE CE1 C 13 129.790 0.3 . 3 . . . . 524 PHE CE1 . 18398 1 636 . 1 1 50 50 PHE CE2 C 13 129.790 0.3 . 3 . . . . 524 PHE CE2 . 18398 1 637 . 1 1 50 50 PHE CZ C 13 128.600 0.3 . 1 . . . . 524 PHE CZ . 18398 1 638 . 1 1 50 50 PHE N N 15 122.831 0.3 . 1 . . . . 524 PHE N . 18398 1 639 . 1 1 51 51 SER H H 1 8.405 0.03 . 1 . . . . 525 SER HN . 18398 1 640 . 1 1 51 51 SER HA H 1 5.032 0.03 . 1 . . . . 525 SER HA . 18398 1 641 . 1 1 51 51 SER HB2 H 1 3.583 0.03 . 2 . . . . 525 SER HB2 . 18398 1 642 . 1 1 51 51 SER HB3 H 1 3.606 0.03 . 2 . . . . 525 SER HB3 . 18398 1 643 . 1 1 51 51 SER C C 13 173.212 0.3 . 1 . . . . 525 SER C . 18398 1 644 . 1 1 51 51 SER CA C 13 57.129 0.3 . 1 . . . . 525 SER CA . 18398 1 645 . 1 1 51 51 SER CB C 13 64.909 0.3 . 1 . . . . 525 SER CB . 18398 1 646 . 1 1 51 51 SER N N 15 114.940 0.3 . 1 . . . . 525 SER N . 18398 1 647 . 1 1 52 52 PHE H H 1 8.891 0.03 . 1 . . . . 526 PHE HN . 18398 1 648 . 1 1 52 52 PHE HA H 1 4.670 0.03 . 1 . . . . 526 PHE HA . 18398 1 649 . 1 1 52 52 PHE HB2 H 1 2.530 0.03 . 2 . . . . 526 PHE HB2 . 18398 1 650 . 1 1 52 52 PHE HB3 H 1 3.013 0.03 . 2 . . . . 526 PHE HB3 . 18398 1 651 . 1 1 52 52 PHE HD1 H 1 6.984 0.03 . 3 . . . . 526 PHE HD1 . 18398 1 652 . 1 1 52 52 PHE HD2 H 1 6.984 0.03 . 3 . . . . 526 PHE HD2 . 18398 1 653 . 1 1 52 52 PHE HE1 H 1 7.087 0.03 . 3 . . . . 526 PHE HE1 . 18398 1 654 . 1 1 52 52 PHE HE2 H 1 7.087 0.03 . 3 . . . . 526 PHE HE2 . 18398 1 655 . 1 1 52 52 PHE HZ H 1 6.921 0.03 . 1 . . . . 526 PHE HZ . 18398 1 656 . 1 1 52 52 PHE C C 13 173.174 0.3 . 1 . . . . 526 PHE C . 18398 1 657 . 1 1 52 52 PHE CA C 13 57.449 0.3 . 1 . . . . 526 PHE CA . 18398 1 658 . 1 1 52 52 PHE CB C 13 44.480 0.3 . 1 . . . . 526 PHE CB . 18398 1 659 . 1 1 52 52 PHE CD1 C 13 131.131 0.3 . 3 . . . . 526 PHE CD1 . 18398 1 660 . 1 1 52 52 PHE CD2 C 13 131.131 0.3 . 3 . . . . 526 PHE CD2 . 18398 1 661 . 1 1 52 52 PHE CE1 C 13 131.489 0.3 . 3 . . . . 526 PHE CE1 . 18398 1 662 . 1 1 52 52 PHE CE2 C 13 131.489 0.3 . 3 . . . . 526 PHE CE2 . 18398 1 663 . 1 1 52 52 PHE CZ C 13 128.979 0.3 . 1 . . . . 526 PHE CZ . 18398 1 664 . 1 1 52 52 PHE N N 15 126.272 0.3 . 1 . . . . 526 PHE N . 18398 1 665 . 1 1 53 53 ASP H H 1 9.780 0.03 . 1 . . . . 527 ASP HN . 18398 1 666 . 1 1 53 53 ASP HA H 1 4.843 0.03 . 1 . . . . 527 ASP HA . 18398 1 667 . 1 1 53 53 ASP HB2 H 1 2.211 0.03 . 2 . . . . 527 ASP HB2 . 18398 1 668 . 1 1 53 53 ASP HB3 H 1 2.501 0.03 . 2 . . . . 527 ASP HB3 . 18398 1 669 . 1 1 53 53 ASP C C 13 176.107 0.3 . 1 . . . . 527 ASP C . 18398 1 670 . 1 1 53 53 ASP CA C 13 53.350 0.3 . 1 . . . . 527 ASP CA . 18398 1 671 . 1 1 53 53 ASP CB C 13 42.310 0.3 . 1 . . . . 527 ASP CB . 18398 1 672 . 1 1 53 53 ASP N N 15 131.000 0.3 . 1 . . . . 527 ASP N . 18398 1 673 . 1 1 54 54 LEU H H 1 9.191 0.03 . 1 . . . . 528 LEU HN . 18398 1 674 . 1 1 54 54 LEU HA H 1 4.165 0.03 . 1 . . . . 528 LEU HA . 18398 1 675 . 1 1 54 54 LEU HB2 H 1 1.582 0.03 . 2 . . . . 528 LEU HB2 . 18398 1 676 . 1 1 54 54 LEU HB3 H 1 2.050 0.03 . 2 . . . . 528 LEU HB3 . 18398 1 677 . 1 1 54 54 LEU HG H 1 2.110 0.03 . 1 . . . . 528 LEU HG . 18398 1 678 . 1 1 54 54 LEU HD11 H 1 0.959 0.03 . 2 . . . . 528 LEU HD11 . 18398 1 679 . 1 1 54 54 LEU HD12 H 1 0.959 0.03 . 2 . . . . 528 LEU HD12 . 18398 1 680 . 1 1 54 54 LEU HD13 H 1 0.959 0.03 . 2 . . . . 528 LEU HD13 . 18398 1 681 . 1 1 54 54 LEU HD21 H 1 0.968 0.03 . 2 . . . . 528 LEU HD21 . 18398 1 682 . 1 1 54 54 LEU HD22 H 1 0.968 0.03 . 2 . . . . 528 LEU HD22 . 18398 1 683 . 1 1 54 54 LEU HD23 H 1 0.968 0.03 . 2 . . . . 528 LEU HD23 . 18398 1 684 . 1 1 54 54 LEU C C 13 178.067 0.3 . 1 . . . . 528 LEU C . 18398 1 685 . 1 1 54 54 LEU CA C 13 57.785 0.3 . 1 . . . . 528 LEU CA . 18398 1 686 . 1 1 54 54 LEU CB C 13 42.944 0.3 . 1 . . . . 528 LEU CB . 18398 1 687 . 1 1 54 54 LEU CG C 13 27.480 0.3 . 1 . . . . 528 LEU CG . 18398 1 688 . 1 1 54 54 LEU CD1 C 13 25.950 0.3 . 2 . . . . 528 LEU CD1 . 18398 1 689 . 1 1 54 54 LEU CD2 C 13 23.815 0.3 . 2 . . . . 528 LEU CD2 . 18398 1 690 . 1 1 54 54 LEU N N 15 125.945 0.3 . 1 . . . . 528 LEU N . 18398 1 691 . 1 1 55 55 GLU H H 1 8.499 0.03 . 1 . . . . 529 GLU HN . 18398 1 692 . 1 1 55 55 GLU HA H 1 4.454 0.03 . 1 . . . . 529 GLU HA . 18398 1 693 . 1 1 55 55 GLU HB2 H 1 2.060 0.03 . 2 . . . . 529 GLU HB2 . 18398 1 694 . 1 1 55 55 GLU HB3 H 1 2.060 0.03 . 2 . . . . 529 GLU HB3 . 18398 1 695 . 1 1 55 55 GLU HG2 H 1 2.186 0.03 . 2 . . . . 529 GLU HG2 . 18398 1 696 . 1 1 55 55 GLU HG3 H 1 2.293 0.03 . 2 . . . . 529 GLU HG3 . 18398 1 697 . 1 1 55 55 GLU C C 13 177.962 0.3 . 1 . . . . 529 GLU C . 18398 1 698 . 1 1 55 55 GLU CA C 13 57.537 0.3 . 1 . . . . 529 GLU CA . 18398 1 699 . 1 1 55 55 GLU CB C 13 31.135 0.3 . 1 . . . . 529 GLU CB . 18398 1 700 . 1 1 55 55 GLU CG C 13 36.660 0.3 . 1 . . . . 529 GLU CG . 18398 1 701 . 1 1 55 55 GLU N N 15 116.906 0.3 . 1 . . . . 529 GLU N . 18398 1 702 . 1 1 56 56 ARG H H 1 8.084 0.03 . 1 . . . . 530 ARG HN . 18398 1 703 . 1 1 56 56 ARG HA H 1 4.393 0.03 . 1 . . . . 530 ARG HA . 18398 1 704 . 1 1 56 56 ARG HB2 H 1 1.412 0.03 . 2 . . . . 530 ARG HB2 . 18398 1 705 . 1 1 56 56 ARG HB3 H 1 1.710 0.03 . 2 . . . . 530 ARG HB3 . 18398 1 706 . 1 1 56 56 ARG HG2 H 1 1.479 0.03 . 2 . . . . 530 ARG HG2 . 18398 1 707 . 1 1 56 56 ARG HG3 H 1 1.539 0.03 . 2 . . . . 530 ARG HG3 . 18398 1 708 . 1 1 56 56 ARG HD2 H 1 3.126 0.03 . 2 . . . . 530 ARG HD2 . 18398 1 709 . 1 1 56 56 ARG HD3 H 1 3.126 0.03 . 2 . . . . 530 ARG HD3 . 18398 1 710 . 1 1 56 56 ARG C C 13 177.099 0.3 . 1 . . . . 530 ARG C . 18398 1 711 . 1 1 56 56 ARG CA C 13 57.184 0.3 . 1 . . . . 530 ARG CA . 18398 1 712 . 1 1 56 56 ARG CB C 13 33.800 0.3 . 1 . . . . 530 ARG CB . 18398 1 713 . 1 1 56 56 ARG CG C 13 27.655 0.3 . 1 . . . . 530 ARG CG . 18398 1 714 . 1 1 56 56 ARG CD C 13 43.219 0.3 . 1 . . . . 530 ARG CD . 18398 1 715 . 1 1 56 56 ARG N N 15 117.670 0.3 . 1 . . . . 530 ARG N . 18398 1 716 . 1 1 57 57 ASP H H 1 8.297 0.03 . 1 . . . . 531 ASP HN . 18398 1 717 . 1 1 57 57 ASP HA H 1 4.744 0.03 . 1 . . . . 531 ASP HA . 18398 1 718 . 1 1 57 57 ASP HB2 H 1 1.417 0.03 . 2 . . . . 531 ASP HB2 . 18398 1 719 . 1 1 57 57 ASP HB3 H 1 1.454 0.03 . 2 . . . . 531 ASP HB3 . 18398 1 720 . 1 1 57 57 ASP C C 13 176.025 0.3 . 1 . . . . 531 ASP C . 18398 1 721 . 1 1 57 57 ASP CA C 13 55.595 0.3 . 1 . . . . 531 ASP CA . 18398 1 722 . 1 1 57 57 ASP CB C 13 40.882 0.3 . 1 . . . . 531 ASP CB . 18398 1 723 . 1 1 57 57 ASP N N 15 118.482 0.3 . 1 . . . . 531 ASP N . 18398 1 724 . 1 1 58 58 VAL H H 1 8.494 0.03 . 1 . . . . 532 VAL HN . 18398 1 725 . 1 1 58 58 VAL HA H 1 4.801 0.03 . 1 . . . . 532 VAL HA . 18398 1 726 . 1 1 58 58 VAL HB H 1 2.250 0.03 . 1 . . . . 532 VAL HB . 18398 1 727 . 1 1 58 58 VAL HG11 H 1 1.202 0.03 . 2 . . . . 532 VAL HG11 . 18398 1 728 . 1 1 58 58 VAL HG12 H 1 1.202 0.03 . 2 . . . . 532 VAL HG12 . 18398 1 729 . 1 1 58 58 VAL HG13 H 1 1.202 0.03 . 2 . . . . 532 VAL HG13 . 18398 1 730 . 1 1 58 58 VAL HG21 H 1 1.056 0.03 . 2 . . . . 532 VAL HG21 . 18398 1 731 . 1 1 58 58 VAL HG22 H 1 1.056 0.03 . 2 . . . . 532 VAL HG22 . 18398 1 732 . 1 1 58 58 VAL HG23 H 1 1.056 0.03 . 2 . . . . 532 VAL HG23 . 18398 1 733 . 1 1 58 58 VAL CA C 13 59.040 0.3 . 1 . . . . 532 VAL CA . 18398 1 734 . 1 1 58 58 VAL CB C 13 35.440 0.3 . 1 . . . . 532 VAL CB . 18398 1 735 . 1 1 58 58 VAL CG1 C 13 21.313 0.3 . 2 . . . . 532 VAL CG1 . 18398 1 736 . 1 1 58 58 VAL CG2 C 13 21.160 0.3 . 2 . . . . 532 VAL CG2 . 18398 1 737 . 1 1 58 58 VAL N N 15 119.854 0.3 . 1 . . . . 532 VAL N . 18398 1 738 . 1 1 59 59 PRO HA H 1 4.190 0.03 . 1 . . . . 533 PRO HA . 18398 1 739 . 1 1 59 59 PRO HB2 H 1 2.067 0.03 . 2 . . . . 533 PRO HB2 . 18398 1 740 . 1 1 59 59 PRO HB3 H 1 2.440 0.03 . 2 . . . . 533 PRO HB3 . 18398 1 741 . 1 1 59 59 PRO HG2 H 1 1.838 0.03 . 2 . . . . 533 PRO HG2 . 18398 1 742 . 1 1 59 59 PRO HG3 H 1 2.260 0.03 . 2 . . . . 533 PRO HG3 . 18398 1 743 . 1 1 59 59 PRO HD2 H 1 4.117 0.03 . 2 . . . . 533 PRO HD2 . 18398 1 744 . 1 1 59 59 PRO HD3 H 1 4.369 0.03 . 2 . . . . 533 PRO HD3 . 18398 1 745 . 1 1 59 59 PRO C C 13 176.835 0.3 . 1 . . . . 533 PRO C . 18398 1 746 . 1 1 59 59 PRO CA C 13 67.517 0.3 . 1 . . . . 533 PRO CA . 18398 1 747 . 1 1 59 59 PRO CB C 13 32.821 0.3 . 1 . . . . 533 PRO CB . 18398 1 748 . 1 1 59 59 PRO CG C 13 28.300 0.3 . 1 . . . . 533 PRO CG . 18398 1 749 . 1 1 59 59 PRO CD C 13 51.627 0.3 . 1 . . . . 533 PRO CD . 18398 1 750 . 1 1 60 60 GLU H H 1 10.147 0.03 . 1 . . . . 534 GLU HN . 18398 1 751 . 1 1 60 60 GLU HA H 1 3.805 0.03 . 1 . . . . 534 GLU HA . 18398 1 752 . 1 1 60 60 GLU HB2 H 1 2.126 0.03 . 2 . . . . 534 GLU HB2 . 18398 1 753 . 1 1 60 60 GLU HB3 H 1 2.205 0.03 . 2 . . . . 534 GLU HB3 . 18398 1 754 . 1 1 60 60 GLU HG2 H 1 2.160 0.03 . 2 . . . . 534 GLU HG2 . 18398 1 755 . 1 1 60 60 GLU HG3 H 1 2.744 0.03 . 2 . . . . 534 GLU HG3 . 18398 1 756 . 1 1 60 60 GLU C C 13 178.670 0.3 . 1 . . . . 534 GLU C . 18398 1 757 . 1 1 60 60 GLU CA C 13 62.016 0.3 . 1 . . . . 534 GLU CA . 18398 1 758 . 1 1 60 60 GLU CB C 13 29.080 0.3 . 1 . . . . 534 GLU CB . 18398 1 759 . 1 1 60 60 GLU CG C 13 38.271 0.3 . 1 . . . . 534 GLU CG . 18398 1 760 . 1 1 60 60 GLU N N 15 116.467 0.3 . 1 . . . . 534 GLU N . 18398 1 761 . 1 1 61 61 ASP H H 1 7.277 0.03 . 1 . . . . 535 ASP HN . 18398 1 762 . 1 1 61 61 ASP HA H 1 4.660 0.03 . 1 . . . . 535 ASP HA . 18398 1 763 . 1 1 61 61 ASP HB2 H 1 2.849 0.03 . 2 . . . . 535 ASP HB2 . 18398 1 764 . 1 1 61 61 ASP HB3 H 1 2.996 0.03 . 2 . . . . 535 ASP HB3 . 18398 1 765 . 1 1 61 61 ASP C C 13 178.707 0.3 . 1 . . . . 535 ASP C . 18398 1 766 . 1 1 61 61 ASP CA C 13 57.227 0.3 . 1 . . . . 535 ASP CA . 18398 1 767 . 1 1 61 61 ASP CB C 13 39.990 0.3 . 1 . . . . 535 ASP CB . 18398 1 768 . 1 1 61 61 ASP N N 15 121.692 0.3 . 1 . . . . 535 ASP N . 18398 1 769 . 1 1 62 62 VAL H H 1 8.117 0.03 . 1 . . . . 536 VAL HN . 18398 1 770 . 1 1 62 62 VAL HA H 1 3.856 0.03 . 1 . . . . 536 VAL HA . 18398 1 771 . 1 1 62 62 VAL HB H 1 2.156 0.03 . 1 . . . . 536 VAL HB . 18398 1 772 . 1 1 62 62 VAL HG11 H 1 0.990 0.03 . 2 . . . . 536 VAL HG11 . 18398 1 773 . 1 1 62 62 VAL HG12 H 1 0.990 0.03 . 2 . . . . 536 VAL HG12 . 18398 1 774 . 1 1 62 62 VAL HG13 H 1 0.990 0.03 . 2 . . . . 536 VAL HG13 . 18398 1 775 . 1 1 62 62 VAL HG21 H 1 1.155 0.03 . 2 . . . . 536 VAL HG21 . 18398 1 776 . 1 1 62 62 VAL HG22 H 1 1.155 0.03 . 2 . . . . 536 VAL HG22 . 18398 1 777 . 1 1 62 62 VAL HG23 H 1 1.155 0.03 . 2 . . . . 536 VAL HG23 . 18398 1 778 . 1 1 62 62 VAL C C 13 178.896 0.3 . 1 . . . . 536 VAL C . 18398 1 779 . 1 1 62 62 VAL CA C 13 66.443 0.3 . 1 . . . . 536 VAL CA . 18398 1 780 . 1 1 62 62 VAL CB C 13 32.327 0.3 . 1 . . . . 536 VAL CB . 18398 1 781 . 1 1 62 62 VAL CG1 C 13 22.100 0.3 . 2 . . . . 536 VAL CG1 . 18398 1 782 . 1 1 62 62 VAL CG2 C 13 22.990 0.3 . 2 . . . . 536 VAL CG2 . 18398 1 783 . 1 1 62 62 VAL N N 15 123.820 0.3 . 1 . . . . 536 VAL N . 18398 1 784 . 1 1 63 63 ALA H H 1 8.333 0.03 . 1 . . . . 537 ALA HN . 18398 1 785 . 1 1 63 63 ALA HA H 1 4.042 0.03 . 1 . . . . 537 ALA HA . 18398 1 786 . 1 1 63 63 ALA HB1 H 1 1.140 0.03 . 1 . . . . 537 ALA HB1 . 18398 1 787 . 1 1 63 63 ALA HB2 H 1 1.140 0.03 . 1 . . . . 537 ALA HB2 . 18398 1 788 . 1 1 63 63 ALA HB3 H 1 1.140 0.03 . 1 . . . . 537 ALA HB3 . 18398 1 789 . 1 1 63 63 ALA C C 13 179.122 0.3 . 1 . . . . 537 ALA C . 18398 1 790 . 1 1 63 63 ALA CA C 13 54.910 0.3 . 1 . . . . 537 ALA CA . 18398 1 791 . 1 1 63 63 ALA CB C 13 18.093 0.3 . 1 . . . . 537 ALA CB . 18398 1 792 . 1 1 63 63 ALA N N 15 119.709 0.3 . 1 . . . . 537 ALA N . 18398 1 793 . 1 1 64 64 GLN H H 1 7.966 0.03 . 1 . . . . 538 GLN HN . 18398 1 794 . 1 1 64 64 GLN HA H 1 4.037 0.03 . 1 . . . . 538 GLN HA . 18398 1 795 . 1 1 64 64 GLN HB2 H 1 2.341 0.03 . 2 . . . . 538 GLN HB2 . 18398 1 796 . 1 1 64 64 GLN HB3 H 1 2.340 0.03 . 2 . . . . 538 GLN HB3 . 18398 1 797 . 1 1 64 64 GLN HG2 H 1 2.344 0.03 . 2 . . . . 538 GLN HG2 . 18398 1 798 . 1 1 64 64 GLN HG3 H 1 2.460 0.03 . 2 . . . . 538 GLN HG3 . 18398 1 799 . 1 1 64 64 GLN HE21 H 1 7.691 0.03 . 2 . . . . 538 GLN HE21 . 18398 1 800 . 1 1 64 64 GLN HE22 H 1 6.570 0.03 . 2 . . . . 538 GLN HE22 . 18398 1 801 . 1 1 64 64 GLN C C 13 178.273 0.3 . 1 . . . . 538 GLN C . 18398 1 802 . 1 1 64 64 GLN CA C 13 58.687 0.3 . 1 . . . . 538 GLN CA . 18398 1 803 . 1 1 64 64 GLN CB C 13 27.574 0.3 . 1 . . . . 538 GLN CB . 18398 1 804 . 1 1 64 64 GLN CG C 13 32.750 0.3 . 1 . . . . 538 GLN CG . 18398 1 805 . 1 1 64 64 GLN N N 15 118.802 0.3 . 1 . . . . 538 GLN N . 18398 1 806 . 1 1 64 64 GLN NE2 N 15 111.196 0.3 . 1 . . . . 538 GLN NE2 . 18398 1 807 . 1 1 65 65 GLU H H 1 8.114 0.03 . 1 . . . . 539 GLU HN . 18398 1 808 . 1 1 65 65 GLU HA H 1 4.138 0.03 . 1 . . . . 539 GLU HA . 18398 1 809 . 1 1 65 65 GLU HB2 H 1 2.260 0.03 . 2 . . . . 539 GLU HB2 . 18398 1 810 . 1 1 65 65 GLU HB3 H 1 2.260 0.03 . 2 . . . . 539 GLU HB3 . 18398 1 811 . 1 1 65 65 GLU HG2 H 1 2.329 0.03 . 2 . . . . 539 GLU HG2 . 18398 1 812 . 1 1 65 65 GLU HG3 H 1 2.486 0.03 . 2 . . . . 539 GLU HG3 . 18398 1 813 . 1 1 65 65 GLU C C 13 179.756 0.3 . 1 . . . . 539 GLU C . 18398 1 814 . 1 1 65 65 GLU CA C 13 59.846 0.3 . 1 . . . . 539 GLU CA . 18398 1 815 . 1 1 65 65 GLU CB C 13 28.880 0.3 . 1 . . . . 539 GLU CB . 18398 1 816 . 1 1 65 65 GLU CG C 13 36.352 0.3 . 1 . . . . 539 GLU CG . 18398 1 817 . 1 1 65 65 GLU N N 15 121.703 0.3 . 1 . . . . 539 GLU N . 18398 1 818 . 1 1 66 66 MET H H 1 7.640 0.03 . 1 . . . . 540 MET HN . 18398 1 819 . 1 1 66 66 MET HA H 1 4.164 0.03 . 1 . . . . 540 MET HA . 18398 1 820 . 1 1 66 66 MET HB2 H 1 2.352 0.03 . 2 . . . . 540 MET HB2 . 18398 1 821 . 1 1 66 66 MET HB3 H 1 1.937 0.03 . 2 . . . . 540 MET HB3 . 18398 1 822 . 1 1 66 66 MET HG2 H 1 2.438 0.03 . 2 . . . . 540 MET HG2 . 18398 1 823 . 1 1 66 66 MET HG3 H 1 2.803 0.03 . 2 . . . . 540 MET HG3 . 18398 1 824 . 1 1 66 66 MET HE1 H 1 1.155 0.03 . 1 . . . . 540 MET HE1 . 18398 1 825 . 1 1 66 66 MET HE2 H 1 1.155 0.03 . 1 . . . . 540 MET HE2 . 18398 1 826 . 1 1 66 66 MET HE3 H 1 1.155 0.03 . 1 . . . . 540 MET HE3 . 18398 1 827 . 1 1 66 66 MET C C 13 178.813 0.3 . 1 . . . . 540 MET C . 18398 1 828 . 1 1 66 66 MET CA C 13 59.846 0.3 . 1 . . . . 540 MET CA . 18398 1 829 . 1 1 66 66 MET CB C 13 33.148 0.3 . 1 . . . . 540 MET CB . 18398 1 830 . 1 1 66 66 MET CG C 13 33.628 0.3 . 1 . . . . 540 MET CG . 18398 1 831 . 1 1 66 66 MET CE C 13 17.861 0.3 . 1 . . . . 540 MET CE . 18398 1 832 . 1 1 66 66 MET N N 15 118.169 0.3 . 1 . . . . 540 MET N . 18398 1 833 . 1 1 67 67 VAL H H 1 7.758 0.03 . 1 . . . . 541 VAL HN . 18398 1 834 . 1 1 67 67 VAL HA H 1 4.505 0.03 . 1 . . . . 541 VAL HA . 18398 1 835 . 1 1 67 67 VAL HB H 1 2.487 0.03 . 1 . . . . 541 VAL HB . 18398 1 836 . 1 1 67 67 VAL HG11 H 1 0.965 0.03 . 2 . . . . 541 VAL HG11 . 18398 1 837 . 1 1 67 67 VAL HG12 H 1 0.965 0.03 . 2 . . . . 541 VAL HG12 . 18398 1 838 . 1 1 67 67 VAL HG13 H 1 0.965 0.03 . 2 . . . . 541 VAL HG13 . 18398 1 839 . 1 1 67 67 VAL HG21 H 1 0.984 0.03 . 2 . . . . 541 VAL HG21 . 18398 1 840 . 1 1 67 67 VAL HG22 H 1 0.984 0.03 . 2 . . . . 541 VAL HG22 . 18398 1 841 . 1 1 67 67 VAL HG23 H 1 0.984 0.03 . 2 . . . . 541 VAL HG23 . 18398 1 842 . 1 1 67 67 VAL C C 13 181.030 0.3 . 1 . . . . 541 VAL C . 18398 1 843 . 1 1 67 67 VAL CA C 13 64.571 0.3 . 1 . . . . 541 VAL CA . 18398 1 844 . 1 1 67 67 VAL CB C 13 31.753 0.3 . 1 . . . . 541 VAL CB . 18398 1 845 . 1 1 67 67 VAL CG1 C 13 21.110 0.3 . 2 . . . . 541 VAL CG1 . 18398 1 846 . 1 1 67 67 VAL CG2 C 13 21.160 0.3 . 2 . . . . 541 VAL CG2 . 18398 1 847 . 1 1 67 67 VAL N N 15 122.346 0.3 . 1 . . . . 541 VAL N . 18398 1 848 . 1 1 68 68 GLU H H 1 8.640 0.03 . 1 . . . . 542 GLU HN . 18398 1 849 . 1 1 68 68 GLU HA H 1 4.021 0.03 . 1 . . . . 542 GLU HA . 18398 1 850 . 1 1 68 68 GLU HB2 H 1 2.150 0.03 . 2 . . . . 542 GLU HB2 . 18398 1 851 . 1 1 68 68 GLU HB3 H 1 2.150 0.03 . 2 . . . . 542 GLU HB3 . 18398 1 852 . 1 1 68 68 GLU HG2 H 1 2.505 0.03 . 2 . . . . 542 GLU HG2 . 18398 1 853 . 1 1 68 68 GLU HG3 H 1 2.400 0.03 . 2 . . . . 542 GLU HG3 . 18398 1 854 . 1 1 68 68 GLU C C 13 179.129 0.3 . 1 . . . . 542 GLU C . 18398 1 855 . 1 1 68 68 GLU CA C 13 59.408 0.3 . 1 . . . . 542 GLU CA . 18398 1 856 . 1 1 68 68 GLU CB C 13 29.327 0.3 . 1 . . . . 542 GLU CB . 18398 1 857 . 1 1 68 68 GLU CG C 13 36.521 0.3 . 1 . . . . 542 GLU CG . 18398 1 858 . 1 1 68 68 GLU N N 15 122.339 0.3 . 1 . . . . 542 GLU N . 18398 1 859 . 1 1 69 69 SER H H 1 8.107 0.03 . 1 . . . . 543 SER HN . 18398 1 860 . 1 1 69 69 SER HA H 1 4.351 0.03 . 1 . . . . 543 SER HA . 18398 1 861 . 1 1 69 69 SER HB2 H 1 3.729 0.03 . 2 . . . . 543 SER HB2 . 18398 1 862 . 1 1 69 69 SER HB3 H 1 3.729 0.03 . 2 . . . . 543 SER HB3 . 18398 1 863 . 1 1 69 69 SER C C 13 174.388 0.3 . 1 . . . . 543 SER C . 18398 1 864 . 1 1 69 69 SER CA C 13 59.692 0.3 . 1 . . . . 543 SER CA . 18398 1 865 . 1 1 69 69 SER CB C 13 64.238 0.3 . 1 . . . . 543 SER CB . 18398 1 866 . 1 1 69 69 SER N N 15 112.216 0.3 . 1 . . . . 543 SER N . 18398 1 867 . 1 1 70 70 GLY H H 1 7.777 0.03 . 1 . . . . 544 GLY HN . 18398 1 868 . 1 1 70 70 GLY HA2 H 1 3.843 0.03 . 2 . . . . 544 GLY HA2 . 18398 1 869 . 1 1 70 70 GLY HA3 H 1 4.142 0.03 . 2 . . . . 544 GLY HA3 . 18398 1 870 . 1 1 70 70 GLY C C 13 174.651 0.3 . 1 . . . . 544 GLY C . 18398 1 871 . 1 1 70 70 GLY CA C 13 45.504 0.3 . 1 . . . . 544 GLY CA . 18398 1 872 . 1 1 70 70 GLY N N 15 107.923 0.3 . 1 . . . . 544 GLY N . 18398 1 873 . 1 1 71 71 TYR H H 1 7.877 0.03 . 1 . . . . 545 TYR HN . 18398 1 874 . 1 1 71 71 TYR HA H 1 4.670 0.03 . 1 . . . . 545 TYR HA . 18398 1 875 . 1 1 71 71 TYR HB2 H 1 2.904 0.03 . 2 . . . . 545 TYR HB2 . 18398 1 876 . 1 1 71 71 TYR HB3 H 1 3.250 0.03 . 2 . . . . 545 TYR HB3 . 18398 1 877 . 1 1 71 71 TYR HD1 H 1 7.133 0.03 . 3 . . . . 545 TYR HD1 . 18398 1 878 . 1 1 71 71 TYR HD2 H 1 7.133 0.03 . 3 . . . . 545 TYR HD2 . 18398 1 879 . 1 1 71 71 TYR HE1 H 1 6.970 0.03 . 3 . . . . 545 TYR HE1 . 18398 1 880 . 1 1 71 71 TYR HE2 H 1 6.970 0.03 . 3 . . . . 545 TYR HE2 . 18398 1 881 . 1 1 71 71 TYR C C 13 175.883 0.3 . 1 . . . . 545 TYR C . 18398 1 882 . 1 1 71 71 TYR CA C 13 58.690 0.3 . 1 . . . . 545 TYR CA . 18398 1 883 . 1 1 71 71 TYR CB C 13 39.517 0.3 . 1 . . . . 545 TYR CB . 18398 1 884 . 1 1 71 71 TYR CD1 C 13 132.100 0.3 . 3 . . . . 545 TYR CD1 . 18398 1 885 . 1 1 71 71 TYR CD2 C 13 132.100 0.3 . 3 . . . . 545 TYR CD2 . 18398 1 886 . 1 1 71 71 TYR CE1 C 13 118.600 0.3 . 3 . . . . 545 TYR CE1 . 18398 1 887 . 1 1 71 71 TYR CE2 C 13 118.600 0.3 . 3 . . . . 545 TYR CE2 . 18398 1 888 . 1 1 71 71 TYR N N 15 118.374 0.3 . 1 . . . . 545 TYR N . 18398 1 889 . 1 1 72 72 VAL H H 1 7.059 0.03 . 1 . . . . 546 VAL HN . 18398 1 890 . 1 1 72 72 VAL HA H 1 4.640 0.03 . 1 . . . . 546 VAL HA . 18398 1 891 . 1 1 72 72 VAL HB H 1 1.688 0.03 . 1 . . . . 546 VAL HB . 18398 1 892 . 1 1 72 72 VAL HG11 H 1 0.973 0.03 . 2 . . . . 546 VAL HG11 . 18398 1 893 . 1 1 72 72 VAL HG12 H 1 0.973 0.03 . 2 . . . . 546 VAL HG12 . 18398 1 894 . 1 1 72 72 VAL HG13 H 1 0.973 0.03 . 2 . . . . 546 VAL HG13 . 18398 1 895 . 1 1 72 72 VAL HG21 H 1 0.829 0.03 . 2 . . . . 546 VAL HG21 . 18398 1 896 . 1 1 72 72 VAL HG22 H 1 0.829 0.03 . 2 . . . . 546 VAL HG22 . 18398 1 897 . 1 1 72 72 VAL HG23 H 1 0.829 0.03 . 2 . . . . 546 VAL HG23 . 18398 1 898 . 1 1 72 72 VAL C C 13 174.492 0.3 . 1 . . . . 546 VAL C . 18398 1 899 . 1 1 72 72 VAL CA C 13 59.648 0.3 . 1 . . . . 546 VAL CA . 18398 1 900 . 1 1 72 72 VAL CB C 13 36.162 0.3 . 1 . . . . 546 VAL CB . 18398 1 901 . 1 1 72 72 VAL CG1 C 13 22.083 0.3 . 2 . . . . 546 VAL CG1 . 18398 1 902 . 1 1 72 72 VAL CG2 C 13 22.998 0.3 . 2 . . . . 546 VAL CG2 . 18398 1 903 . 1 1 72 72 VAL N N 15 113.135 0.3 . 1 . . . . 546 VAL N . 18398 1 904 . 1 1 73 73 CYS H H 1 8.028 0.03 . 1 . . . . 547 CYS HN . 18398 1 905 . 1 1 73 73 CYS HA H 1 4.439 0.03 . 1 . . . . 547 CYS HA . 18398 1 906 . 1 1 73 73 CYS HB2 H 1 2.857 0.03 . 2 . . . . 547 CYS HB2 . 18398 1 907 . 1 1 73 73 CYS HB3 H 1 3.159 0.03 . 2 . . . . 547 CYS HB3 . 18398 1 908 . 1 1 73 73 CYS C C 13 176.382 0.3 . 1 . . . . 547 CYS C . 18398 1 909 . 1 1 73 73 CYS CA C 13 58.286 0.3 . 1 . . . . 547 CYS CA . 18398 1 910 . 1 1 73 73 CYS CB C 13 28.443 0.3 . 1 . . . . 547 CYS CB . 18398 1 911 . 1 1 73 73 CYS N N 15 123.872 0.3 . 1 . . . . 547 CYS N . 18398 1 912 . 1 1 74 74 GLU H H 1 9.475 0.03 . 1 . . . . 548 GLU HN . 18398 1 913 . 1 1 74 74 GLU HA H 1 4.051 0.03 . 1 . . . . 548 GLU HA . 18398 1 914 . 1 1 74 74 GLU HB2 H 1 2.092 0.03 . 2 . . . . 548 GLU HB2 . 18398 1 915 . 1 1 74 74 GLU HB3 H 1 2.211 0.03 . 2 . . . . 548 GLU HB3 . 18398 1 916 . 1 1 74 74 GLU HG2 H 1 2.332 0.03 . 2 . . . . 548 GLU HG2 . 18398 1 917 . 1 1 74 74 GLU HG3 H 1 2.332 0.03 . 2 . . . . 548 GLU HG3 . 18398 1 918 . 1 1 74 74 GLU C C 13 178.818 0.3 . 1 . . . . 548 GLU C . 18398 1 919 . 1 1 74 74 GLU CA C 13 60.430 0.3 . 1 . . . . 548 GLU CA . 18398 1 920 . 1 1 74 74 GLU CB C 13 29.032 0.3 . 1 . . . . 548 GLU CB . 18398 1 921 . 1 1 74 74 GLU CG C 13 35.572 0.3 . 1 . . . . 548 GLU CG . 18398 1 922 . 1 1 74 74 GLU N N 15 129.052 0.3 . 1 . . . . 548 GLU N . 18398 1 923 . 1 1 75 75 GLY H H 1 8.419 0.03 . 1 . . . . 549 GLY HN . 18398 1 924 . 1 1 75 75 GLY HA2 H 1 3.772 0.03 . 2 . . . . 549 GLY HA2 . 18398 1 925 . 1 1 75 75 GLY HA3 H 1 4.090 0.03 . 2 . . . . 549 GLY HA3 . 18398 1 926 . 1 1 75 75 GLY C C 13 174.330 0.3 . 1 . . . . 549 GLY C . 18398 1 927 . 1 1 75 75 GLY CA C 13 46.255 0.3 . 1 . . . . 549 GLY CA . 18398 1 928 . 1 1 75 75 GLY N N 15 108.165 0.3 . 1 . . . . 549 GLY N . 18398 1 929 . 1 1 76 76 ASP H H 1 8.149 0.03 . 1 . . . . 550 ASP HN . 18398 1 930 . 1 1 76 76 ASP HA H 1 5.210 0.03 . 1 . . . . 550 ASP HA . 18398 1 931 . 1 1 76 76 ASP HB2 H 1 2.699 0.03 . 2 . . . . 550 ASP HB2 . 18398 1 932 . 1 1 76 76 ASP HB3 H 1 3.059 0.03 . 2 . . . . 550 ASP HB3 . 18398 1 933 . 1 1 76 76 ASP C C 13 175.922 0.3 . 1 . . . . 550 ASP C . 18398 1 934 . 1 1 76 76 ASP CA C 13 54.435 0.3 . 1 . . . . 550 ASP CA . 18398 1 935 . 1 1 76 76 ASP CB C 13 43.357 0.3 . 1 . . . . 550 ASP CB . 18398 1 936 . 1 1 76 76 ASP N N 15 117.829 0.3 . 1 . . . . 550 ASP N . 18398 1 937 . 1 1 77 77 HIS H H 1 7.847 0.03 . 1 . . . . 551 HIS HN . 18398 1 938 . 1 1 77 77 HIS HA H 1 3.610 0.03 . 1 . . . . 551 HIS HA . 18398 1 939 . 1 1 77 77 HIS HB2 H 1 3.258 0.03 . 2 . . . . 551 HIS HB2 . 18398 1 940 . 1 1 77 77 HIS HB3 H 1 3.292 0.03 . 2 . . . . 551 HIS HB3 . 18398 1 941 . 1 1 77 77 HIS HD2 H 1 6.540 0.03 . 1 . . . . 551 HIS HD2 . 18398 1 942 . 1 1 77 77 HIS HE1 H 1 7.640 0.03 . 1 . . . . 551 HIS HE1 . 18398 1 943 . 1 1 77 77 HIS C C 13 176.145 0.3 . 1 . . . . 551 HIS C . 18398 1 944 . 1 1 77 77 HIS CA C 13 62.860 0.3 . 1 . . . . 551 HIS CA . 18398 1 945 . 1 1 77 77 HIS CB C 13 32.325 0.3 . 1 . . . . 551 HIS CB . 18398 1 946 . 1 1 77 77 HIS CD2 C 13 116.700 0.3 . 1 . . . . 551 HIS CD2 . 18398 1 947 . 1 1 77 77 HIS CE1 C 13 137.600 0.3 . 1 . . . . 551 HIS CE1 . 18398 1 948 . 1 1 77 77 HIS N N 15 122.010 0.3 . 1 . . . . 551 HIS N . 18398 1 949 . 1 1 78 78 LYS H H 1 8.534 0.03 . 1 . . . . 552 LYS HN . 18398 1 950 . 1 1 78 78 LYS HA H 1 3.757 0.03 . 1 . . . . 552 LYS HA . 18398 1 951 . 1 1 78 78 LYS HB2 H 1 1.857 0.03 . 2 . . . . 552 LYS HB2 . 18398 1 952 . 1 1 78 78 LYS HB3 H 1 1.973 0.03 . 2 . . . . 552 LYS HB3 . 18398 1 953 . 1 1 78 78 LYS HG2 H 1 1.494 0.03 . 2 . . . . 552 LYS HG2 . 18398 1 954 . 1 1 78 78 LYS HG3 H 1 1.634 0.03 . 2 . . . . 552 LYS HG3 . 18398 1 955 . 1 1 78 78 LYS HD2 H 1 1.766 0.03 . 2 . . . . 552 LYS HD2 . 18398 1 956 . 1 1 78 78 LYS HD3 H 1 1.766 0.03 . 2 . . . . 552 LYS HD3 . 18398 1 957 . 1 1 78 78 LYS HE2 H 1 3.072 0.03 . 2 . . . . 552 LYS HE2 . 18398 1 958 . 1 1 78 78 LYS HE3 H 1 3.072 0.03 . 2 . . . . 552 LYS HE3 . 18398 1 959 . 1 1 78 78 LYS C C 13 179.740 0.3 . 1 . . . . 552 LYS C . 18398 1 960 . 1 1 78 78 LYS CA C 13 59.866 0.3 . 1 . . . . 552 LYS CA . 18398 1 961 . 1 1 78 78 LYS CB C 13 31.717 0.3 . 1 . . . . 552 LYS CB . 18398 1 962 . 1 1 78 78 LYS CG C 13 25.678 0.3 . 1 . . . . 552 LYS CG . 18398 1 963 . 1 1 78 78 LYS CD C 13 29.177 0.3 . 1 . . . . 552 LYS CD . 18398 1 964 . 1 1 78 78 LYS CE C 13 42.188 0.3 . 1 . . . . 552 LYS CE . 18398 1 965 . 1 1 78 78 LYS N N 15 117.637 0.3 . 1 . . . . 552 LYS N . 18398 1 966 . 1 1 79 79 THR H H 1 7.760 0.03 . 1 . . . . 553 THR HN . 18398 1 967 . 1 1 79 79 THR HA H 1 3.866 0.03 . 1 . . . . 553 THR HA . 18398 1 968 . 1 1 79 79 THR HB H 1 4.212 0.03 . 1 . . . . 553 THR HB . 18398 1 969 . 1 1 79 79 THR HG21 H 1 1.230 0.03 . 1 . . . . 553 THR HG21 . 18398 1 970 . 1 1 79 79 THR HG22 H 1 1.230 0.03 . 1 . . . . 553 THR HG22 . 18398 1 971 . 1 1 79 79 THR HG23 H 1 1.230 0.03 . 1 . . . . 553 THR HG23 . 18398 1 972 . 1 1 79 79 THR C C 13 176.637 0.3 . 1 . . . . 553 THR C . 18398 1 973 . 1 1 79 79 THR CA C 13 66.322 0.3 . 1 . . . . 553 THR CA . 18398 1 974 . 1 1 79 79 THR CB C 13 68.731 0.3 . 1 . . . . 553 THR CB . 18398 1 975 . 1 1 79 79 THR CG2 C 13 22.618 0.3 . 1 . . . . 553 THR CG2 . 18398 1 976 . 1 1 79 79 THR N N 15 118.460 0.3 . 1 . . . . 553 THR N . 18398 1 977 . 1 1 80 80 MET H H 1 8.146 0.03 . 1 . . . . 554 MET HN . 18398 1 978 . 1 1 80 80 MET HA H 1 3.938 0.03 . 1 . . . . 554 MET HA . 18398 1 979 . 1 1 80 80 MET HB2 H 1 1.730 0.03 . 2 . . . . 554 MET HB2 . 18398 1 980 . 1 1 80 80 MET HB3 H 1 2.000 0.03 . 2 . . . . 554 MET HB3 . 18398 1 981 . 1 1 80 80 MET HG2 H 1 2.499 0.03 . 2 . . . . 554 MET HG2 . 18398 1 982 . 1 1 80 80 MET HG3 H 1 2.818 0.03 . 2 . . . . 554 MET HG3 . 18398 1 983 . 1 1 80 80 MET HE1 H 1 1.810 0.03 . 1 . . . . 554 MET HE1 . 18398 1 984 . 1 1 80 80 MET HE2 H 1 1.810 0.03 . 1 . . . . 554 MET HE2 . 18398 1 985 . 1 1 80 80 MET HE3 H 1 1.810 0.03 . 1 . . . . 554 MET HE3 . 18398 1 986 . 1 1 80 80 MET C C 13 177.604 0.3 . 1 . . . . 554 MET C . 18398 1 987 . 1 1 80 80 MET CA C 13 58.137 0.3 . 1 . . . . 554 MET CA . 18398 1 988 . 1 1 80 80 MET CB C 13 30.452 0.3 . 1 . . . . 554 MET CB . 18398 1 989 . 1 1 80 80 MET CG C 13 33.859 0.3 . 1 . . . . 554 MET CG . 18398 1 990 . 1 1 80 80 MET CE C 13 18.560 0.3 . 1 . . . . 554 MET CE . 18398 1 991 . 1 1 80 80 MET N N 15 119.860 0.3 . 1 . . . . 554 MET N . 18398 1 992 . 1 1 81 81 ALA H H 1 8.527 0.03 . 1 . . . . 555 ALA HN . 18398 1 993 . 1 1 81 81 ALA HA H 1 3.561 0.03 . 1 . . . . 555 ALA HA . 18398 1 994 . 1 1 81 81 ALA HB1 H 1 1.080 0.03 . 1 . . . . 555 ALA HB1 . 18398 1 995 . 1 1 81 81 ALA HB2 H 1 1.080 0.03 . 1 . . . . 555 ALA HB2 . 18398 1 996 . 1 1 81 81 ALA HB3 H 1 1.080 0.03 . 1 . . . . 555 ALA HB3 . 18398 1 997 . 1 1 81 81 ALA C C 13 178.903 0.3 . 1 . . . . 555 ALA C . 18398 1 998 . 1 1 81 81 ALA CA C 13 55.535 0.3 . 1 . . . . 555 ALA CA . 18398 1 999 . 1 1 81 81 ALA CB C 13 18.190 0.3 . 1 . . . . 555 ALA CB . 18398 1 1000 . 1 1 81 81 ALA N N 15 119.903 0.3 . 1 . . . . 555 ALA N . 18398 1 1001 . 1 1 82 82 LYS H H 1 7.794 0.03 . 1 . . . . 556 LYS HN . 18398 1 1002 . 1 1 82 82 LYS HA H 1 3.925 0.03 . 1 . . . . 556 LYS HA . 18398 1 1003 . 1 1 82 82 LYS HB2 H 1 1.945 0.03 . 2 . . . . 556 LYS HB2 . 18398 1 1004 . 1 1 82 82 LYS HB3 H 1 1.945 0.03 . 2 . . . . 556 LYS HB3 . 18398 1 1005 . 1 1 82 82 LYS HG2 H 1 1.450 0.03 . 2 . . . . 556 LYS HG2 . 18398 1 1006 . 1 1 82 82 LYS HG3 H 1 1.450 0.03 . 2 . . . . 556 LYS HG3 . 18398 1 1007 . 1 1 82 82 LYS HD2 H 1 1.629 0.03 . 2 . . . . 556 LYS HD2 . 18398 1 1008 . 1 1 82 82 LYS HD3 H 1 1.773 0.03 . 2 . . . . 556 LYS HD3 . 18398 1 1009 . 1 1 82 82 LYS HE2 H 1 3.032 0.03 . 2 . . . . 556 LYS HE2 . 18398 1 1010 . 1 1 82 82 LYS HE3 H 1 3.032 0.03 . 2 . . . . 556 LYS HE3 . 18398 1 1011 . 1 1 82 82 LYS C C 13 177.406 0.3 . 1 . . . . 556 LYS C . 18398 1 1012 . 1 1 82 82 LYS CA C 13 59.376 0.3 . 1 . . . . 556 LYS CA . 18398 1 1013 . 1 1 82 82 LYS CB C 13 32.396 0.3 . 1 . . . . 556 LYS CB . 18398 1 1014 . 1 1 82 82 LYS CG C 13 25.453 0.3 . 1 . . . . 556 LYS CG . 18398 1 1015 . 1 1 82 82 LYS CD C 13 29.036 0.3 . 1 . . . . 556 LYS CD . 18398 1 1016 . 1 1 82 82 LYS CE C 13 42.552 0.3 . 1 . . . . 556 LYS CE . 18398 1 1017 . 1 1 82 82 LYS N N 15 118.097 0.3 . 1 . . . . 556 LYS N . 18398 1 1018 . 1 1 83 83 ALA H H 1 7.558 0.03 . 1 . . . . 557 ALA HN . 18398 1 1019 . 1 1 83 83 ALA HA H 1 4.213 0.03 . 1 . . . . 557 ALA HA . 18398 1 1020 . 1 1 83 83 ALA HB1 H 1 1.400 0.03 . 1 . . . . 557 ALA HB1 . 18398 1 1021 . 1 1 83 83 ALA HB2 H 1 1.400 0.03 . 1 . . . . 557 ALA HB2 . 18398 1 1022 . 1 1 83 83 ALA HB3 H 1 1.400 0.03 . 1 . . . . 557 ALA HB3 . 18398 1 1023 . 1 1 83 83 ALA C C 13 181.424 0.3 . 1 . . . . 557 ALA C . 18398 1 1024 . 1 1 83 83 ALA CA C 13 55.100 0.3 . 1 . . . . 557 ALA CA . 18398 1 1025 . 1 1 83 83 ALA CB C 13 18.570 0.3 . 1 . . . . 557 ALA CB . 18398 1 1026 . 1 1 83 83 ALA N N 15 120.834 0.3 . 1 . . . . 557 ALA N . 18398 1 1027 . 1 1 84 84 ILE H H 1 8.121 0.03 . 1 . . . . 558 ILE HN . 18398 1 1028 . 1 1 84 84 ILE HA H 1 3.447 0.03 . 1 . . . . 558 ILE HA . 18398 1 1029 . 1 1 84 84 ILE HB H 1 1.837 0.03 . 1 . . . . 558 ILE HB . 18398 1 1030 . 1 1 84 84 ILE HG12 H 1 2.020 0.03 . 2 . . . . 558 ILE HG12 . 18398 1 1031 . 1 1 84 84 ILE HG13 H 1 0.840 0.03 . 2 . . . . 558 ILE HG13 . 18398 1 1032 . 1 1 84 84 ILE HG21 H 1 0.712 0.03 . 1 . . . . 558 ILE HG21 . 18398 1 1033 . 1 1 84 84 ILE HG22 H 1 0.712 0.03 . 1 . . . . 558 ILE HG22 . 18398 1 1034 . 1 1 84 84 ILE HG23 H 1 0.712 0.03 . 1 . . . . 558 ILE HG23 . 18398 1 1035 . 1 1 84 84 ILE HD11 H 1 0.528 0.03 . 1 . . . . 558 ILE HD11 . 18398 1 1036 . 1 1 84 84 ILE HD12 H 1 0.528 0.03 . 1 . . . . 558 ILE HD12 . 18398 1 1037 . 1 1 84 84 ILE HD13 H 1 0.528 0.03 . 1 . . . . 558 ILE HD13 . 18398 1 1038 . 1 1 84 84 ILE C C 13 176.563 0.3 . 1 . . . . 558 ILE C . 18398 1 1039 . 1 1 84 84 ILE CA C 13 66.478 0.3 . 1 . . . . 558 ILE CA . 18398 1 1040 . 1 1 84 84 ILE CB C 13 39.350 0.3 . 1 . . . . 558 ILE CB . 18398 1 1041 . 1 1 84 84 ILE CG1 C 13 29.292 0.3 . 1 . . . . 558 ILE CG1 . 18398 1 1042 . 1 1 84 84 ILE CG2 C 13 17.901 0.3 . 1 . . . . 558 ILE CG2 . 18398 1 1043 . 1 1 84 84 ILE CD1 C 13 13.826 0.3 . 1 . . . . 558 ILE CD1 . 18398 1 1044 . 1 1 84 84 ILE N N 15 118.026 0.3 . 1 . . . . 558 ILE N . 18398 1 1045 . 1 1 85 85 LYS H H 1 8.559 0.03 . 1 . . . . 559 LYS HN . 18398 1 1046 . 1 1 85 85 LYS HA H 1 3.627 0.03 . 1 . . . . 559 LYS HA . 18398 1 1047 . 1 1 85 85 LYS HB2 H 1 1.810 0.03 . 2 . . . . 559 LYS HB2 . 18398 1 1048 . 1 1 85 85 LYS HB3 H 1 2.090 0.03 . 2 . . . . 559 LYS HB3 . 18398 1 1049 . 1 1 85 85 LYS HG2 H 1 1.467 0.03 . 2 . . . . 559 LYS HG2 . 18398 1 1050 . 1 1 85 85 LYS HG3 H 1 1.554 0.03 . 2 . . . . 559 LYS HG3 . 18398 1 1051 . 1 1 85 85 LYS HD2 H 1 1.753 0.03 . 2 . . . . 559 LYS HD2 . 18398 1 1052 . 1 1 85 85 LYS HD3 H 1 1.753 0.03 . 2 . . . . 559 LYS HD3 . 18398 1 1053 . 1 1 85 85 LYS HE2 H 1 2.961 0.03 . 2 . . . . 559 LYS HE2 . 18398 1 1054 . 1 1 85 85 LYS HE3 H 1 2.960 0.03 . 2 . . . . 559 LYS HE3 . 18398 1 1055 . 1 1 85 85 LYS C C 13 179.006 0.3 . 1 . . . . 559 LYS C . 18398 1 1056 . 1 1 85 85 LYS CA C 13 60.427 0.3 . 1 . . . . 559 LYS CA . 18398 1 1057 . 1 1 85 85 LYS CB C 13 32.856 0.3 . 1 . . . . 559 LYS CB . 18398 1 1058 . 1 1 85 85 LYS CG C 13 25.210 0.3 . 1 . . . . 559 LYS CG . 18398 1 1059 . 1 1 85 85 LYS CD C 13 29.754 0.3 . 1 . . . . 559 LYS CD . 18398 1 1060 . 1 1 85 85 LYS CE C 13 42.077 0.3 . 1 . . . . 559 LYS CE . 18398 1 1061 . 1 1 85 85 LYS N N 15 120.964 0.3 . 1 . . . . 559 LYS N . 18398 1 1062 . 1 1 86 86 ASP H H 1 8.922 0.03 . 1 . . . . 560 ASP HN . 18398 1 1063 . 1 1 86 86 ASP HA H 1 4.376 0.03 . 1 . . . . 560 ASP HA . 18398 1 1064 . 1 1 86 86 ASP HB2 H 1 2.699 0.03 . 2 . . . . 560 ASP HB2 . 18398 1 1065 . 1 1 86 86 ASP HB3 H 1 2.730 0.03 . 2 . . . . 560 ASP HB3 . 18398 1 1066 . 1 1 86 86 ASP C C 13 178.759 0.3 . 1 . . . . 560 ASP C . 18398 1 1067 . 1 1 86 86 ASP CA C 13 57.529 0.3 . 1 . . . . 560 ASP CA . 18398 1 1068 . 1 1 86 86 ASP CB C 13 40.195 0.3 . 1 . . . . 560 ASP CB . 18398 1 1069 . 1 1 86 86 ASP N N 15 119.764 0.3 . 1 . . . . 560 ASP N . 18398 1 1070 . 1 1 87 87 ARG H H 1 7.321 0.03 . 1 . . . . 561 ARG HN . 18398 1 1071 . 1 1 87 87 ARG HA H 1 4.328 0.03 . 1 . . . . 561 ARG HA . 18398 1 1072 . 1 1 87 87 ARG HB2 H 1 1.770 0.03 . 2 . . . . 561 ARG HB2 . 18398 1 1073 . 1 1 87 87 ARG HB3 H 1 2.071 0.03 . 2 . . . . 561 ARG HB3 . 18398 1 1074 . 1 1 87 87 ARG HG2 H 1 1.371 0.03 . 2 . . . . 561 ARG HG2 . 18398 1 1075 . 1 1 87 87 ARG HG3 H 1 1.547 0.03 . 2 . . . . 561 ARG HG3 . 18398 1 1076 . 1 1 87 87 ARG HD2 H 1 3.202 0.03 . 2 . . . . 561 ARG HD2 . 18398 1 1077 . 1 1 87 87 ARG HD3 H 1 3.522 0.03 . 2 . . . . 561 ARG HD3 . 18398 1 1078 . 1 1 87 87 ARG C C 13 178.620 0.3 . 1 . . . . 561 ARG C . 18398 1 1079 . 1 1 87 87 ARG CA C 13 57.072 0.3 . 1 . . . . 561 ARG CA . 18398 1 1080 . 1 1 87 87 ARG CB C 13 28.406 0.3 . 1 . . . . 561 ARG CB . 18398 1 1081 . 1 1 87 87 ARG CG C 13 25.919 0.3 . 1 . . . . 561 ARG CG . 18398 1 1082 . 1 1 87 87 ARG CD C 13 41.145 0.3 . 1 . . . . 561 ARG CD . 18398 1 1083 . 1 1 87 87 ARG N N 15 118.799 0.3 . 1 . . . . 561 ARG N . 18398 1 1084 . 1 1 88 88 VAL H H 1 8.625 0.03 . 1 . . . . 562 VAL HN . 18398 1 1085 . 1 1 88 88 VAL HA H 1 3.447 0.03 . 1 . . . . 562 VAL HA . 18398 1 1086 . 1 1 88 88 VAL HB H 1 1.853 0.03 . 1 . . . . 562 VAL HB . 18398 1 1087 . 1 1 88 88 VAL HG11 H 1 0.584 0.03 . 2 . . . . 562 VAL HG11 . 18398 1 1088 . 1 1 88 88 VAL HG12 H 1 0.584 0.03 . 2 . . . . 562 VAL HG12 . 18398 1 1089 . 1 1 88 88 VAL HG13 H 1 0.584 0.03 . 2 . . . . 562 VAL HG13 . 18398 1 1090 . 1 1 88 88 VAL HG21 H 1 0.236 0.03 . 2 . . . . 562 VAL HG21 . 18398 1 1091 . 1 1 88 88 VAL HG22 H 1 0.236 0.03 . 2 . . . . 562 VAL HG22 . 18398 1 1092 . 1 1 88 88 VAL HG23 H 1 0.236 0.03 . 2 . . . . 562 VAL HG23 . 18398 1 1093 . 1 1 88 88 VAL C C 13 178.005 0.3 . 1 . . . . 562 VAL C . 18398 1 1094 . 1 1 88 88 VAL CA C 13 66.822 0.3 . 1 . . . . 562 VAL CA . 18398 1 1095 . 1 1 88 88 VAL CB C 13 31.200 0.3 . 1 . . . . 562 VAL CB . 18398 1 1096 . 1 1 88 88 VAL CG1 C 13 21.425 0.3 . 2 . . . . 562 VAL CG1 . 18398 1 1097 . 1 1 88 88 VAL CG2 C 13 21.415 0.3 . 2 . . . . 562 VAL CG2 . 18398 1 1098 . 1 1 88 88 VAL N N 15 118.438 0.3 . 1 . . . . 562 VAL N . 18398 1 1099 . 1 1 89 89 SER H H 1 8.478 0.03 . 1 . . . . 563 SER HN . 18398 1 1100 . 1 1 89 89 SER HA H 1 4.192 0.03 . 1 . . . . 563 SER HA . 18398 1 1101 . 1 1 89 89 SER HB2 H 1 4.014 0.03 . 2 . . . . 563 SER HB2 . 18398 1 1102 . 1 1 89 89 SER HB3 H 1 4.055 0.03 . 2 . . . . 563 SER HB3 . 18398 1 1103 . 1 1 89 89 SER C C 13 176.698 0.3 . 1 . . . . 563 SER C . 18398 1 1104 . 1 1 89 89 SER CA C 13 62.100 0.3 . 1 . . . . 563 SER CA . 18398 1 1105 . 1 1 89 89 SER CB C 13 62.840 0.3 . 1 . . . . 563 SER CB . 18398 1 1106 . 1 1 89 89 SER N N 15 115.759 0.3 . 1 . . . . 563 SER N . 18398 1 1107 . 1 1 90 90 LEU H H 1 7.219 0.03 . 1 . . . . 564 LEU HN . 18398 1 1108 . 1 1 90 90 LEU HA H 1 4.140 0.03 . 1 . . . . 564 LEU HA . 18398 1 1109 . 1 1 90 90 LEU HB2 H 1 1.707 0.03 . 2 . . . . 564 LEU HB2 . 18398 1 1110 . 1 1 90 90 LEU HB3 H 1 1.964 0.03 . 2 . . . . 564 LEU HB3 . 18398 1 1111 . 1 1 90 90 LEU HG H 1 1.860 0.03 . 1 . . . . 564 LEU HG . 18398 1 1112 . 1 1 90 90 LEU HD11 H 1 0.970 0.03 . 2 . . . . 564 LEU HD11 . 18398 1 1113 . 1 1 90 90 LEU HD12 H 1 0.970 0.03 . 2 . . . . 564 LEU HD12 . 18398 1 1114 . 1 1 90 90 LEU HD13 H 1 0.970 0.03 . 2 . . . . 564 LEU HD13 . 18398 1 1115 . 1 1 90 90 LEU HD21 H 1 0.925 0.03 . 2 . . . . 564 LEU HD21 . 18398 1 1116 . 1 1 90 90 LEU HD22 H 1 0.925 0.03 . 2 . . . . 564 LEU HD22 . 18398 1 1117 . 1 1 90 90 LEU HD23 H 1 0.925 0.03 . 2 . . . . 564 LEU HD23 . 18398 1 1118 . 1 1 90 90 LEU C C 13 179.500 0.3 . 1 . . . . 564 LEU C . 18398 1 1119 . 1 1 90 90 LEU CA C 13 58.091 0.3 . 1 . . . . 564 LEU CA . 18398 1 1120 . 1 1 90 90 LEU CB C 13 42.271 0.3 . 1 . . . . 564 LEU CB . 18398 1 1121 . 1 1 90 90 LEU CG C 13 27.000 0.3 . 1 . . . . 564 LEU CG . 18398 1 1122 . 1 1 90 90 LEU CD1 C 13 25.200 0.3 . 2 . . . . 564 LEU CD1 . 18398 1 1123 . 1 1 90 90 LEU CD2 C 13 23.801 0.3 . 2 . . . . 564 LEU CD2 . 18398 1 1124 . 1 1 90 90 LEU N N 15 121.938 0.3 . 1 . . . . 564 LEU N . 18398 1 1125 . 1 1 91 91 ILE H H 1 7.782 0.03 . 1 . . . . 565 ILE HN . 18398 1 1126 . 1 1 91 91 ILE HA H 1 3.674 0.03 . 1 . . . . 565 ILE HA . 18398 1 1127 . 1 1 91 91 ILE HB H 1 1.955 0.03 . 1 . . . . 565 ILE HB . 18398 1 1128 . 1 1 91 91 ILE HG12 H 1 1.820 0.03 . 2 . . . . 565 ILE HG12 . 18398 1 1129 . 1 1 91 91 ILE HG13 H 1 1.110 0.03 . 2 . . . . 565 ILE HG13 . 18398 1 1130 . 1 1 91 91 ILE HG21 H 1 0.909 0.03 . 1 . . . . 565 ILE HG21 . 18398 1 1131 . 1 1 91 91 ILE HG22 H 1 0.909 0.03 . 1 . . . . 565 ILE HG22 . 18398 1 1132 . 1 1 91 91 ILE HG23 H 1 0.909 0.03 . 1 . . . . 565 ILE HG23 . 18398 1 1133 . 1 1 91 91 ILE HD11 H 1 0.737 0.03 . 1 . . . . 565 ILE HD11 . 18398 1 1134 . 1 1 91 91 ILE HD12 H 1 0.737 0.03 . 1 . . . . 565 ILE HD12 . 18398 1 1135 . 1 1 91 91 ILE HD13 H 1 0.737 0.03 . 1 . . . . 565 ILE HD13 . 18398 1 1136 . 1 1 91 91 ILE C C 13 178.844 0.3 . 1 . . . . 565 ILE C . 18398 1 1137 . 1 1 91 91 ILE CA C 13 65.397 0.3 . 1 . . . . 565 ILE CA . 18398 1 1138 . 1 1 91 91 ILE CB C 13 38.600 0.3 . 1 . . . . 565 ILE CB . 18398 1 1139 . 1 1 91 91 ILE CG1 C 13 28.626 0.3 . 1 . . . . 565 ILE CG1 . 18398 1 1140 . 1 1 91 91 ILE CG2 C 13 17.289 0.3 . 1 . . . . 565 ILE CG2 . 18398 1 1141 . 1 1 91 91 ILE CD1 C 13 15.033 0.3 . 1 . . . . 565 ILE CD1 . 18398 1 1142 . 1 1 91 91 ILE N N 15 120.918 0.3 . 1 . . . . 565 ILE N . 18398 1 1143 . 1 1 92 92 LYS H H 1 8.417 0.03 . 1 . . . . 566 LYS HN . 18398 1 1144 . 1 1 92 92 LYS HA H 1 3.869 0.03 . 1 . . . . 566 LYS HA . 18398 1 1145 . 1 1 92 92 LYS HB2 H 1 1.865 0.03 . 2 . . . . 566 LYS HB2 . 18398 1 1146 . 1 1 92 92 LYS HB3 H 1 1.976 0.03 . 2 . . . . 566 LYS HB3 . 18398 1 1147 . 1 1 92 92 LYS HG2 H 1 1.437 0.03 . 2 . . . . 566 LYS HG2 . 18398 1 1148 . 1 1 92 92 LYS HG3 H 1 1.764 0.03 . 2 . . . . 566 LYS HG3 . 18398 1 1149 . 1 1 92 92 LYS HD2 H 1 1.746 0.03 . 2 . . . . 566 LYS HD2 . 18398 1 1150 . 1 1 92 92 LYS HD3 H 1 1.746 0.03 . 2 . . . . 566 LYS HD3 . 18398 1 1151 . 1 1 92 92 LYS HE2 H 1 2.965 0.03 . 2 . . . . 566 LYS HE2 . 18398 1 1152 . 1 1 92 92 LYS HE3 H 1 3.102 0.03 . 2 . . . . 566 LYS HE3 . 18398 1 1153 . 1 1 92 92 LYS C C 13 179.278 0.3 . 1 . . . . 566 LYS C . 18398 1 1154 . 1 1 92 92 LYS CA C 13 60.537 0.3 . 1 . . . . 566 LYS CA . 18398 1 1155 . 1 1 92 92 LYS CB C 13 32.442 0.3 . 1 . . . . 566 LYS CB . 18398 1 1156 . 1 1 92 92 LYS CG C 13 26.956 0.3 . 1 . . . . 566 LYS CG . 18398 1 1157 . 1 1 92 92 LYS CD C 13 29.661 0.3 . 1 . . . . 566 LYS CD . 18398 1 1158 . 1 1 92 92 LYS CE C 13 42.167 0.3 . 1 . . . . 566 LYS CE . 18398 1 1159 . 1 1 92 92 LYS N N 15 118.876 0.3 . 1 . . . . 566 LYS N . 18398 1 1160 . 1 1 93 93 ARG H H 1 8.175 0.03 . 1 . . . . 567 ARG HN . 18398 1 1161 . 1 1 93 93 ARG HA H 1 4.155 0.03 . 1 . . . . 567 ARG HA . 18398 1 1162 . 1 1 93 93 ARG HB2 H 1 1.937 0.03 . 2 . . . . 567 ARG HB2 . 18398 1 1163 . 1 1 93 93 ARG HB3 H 1 2.015 0.03 . 2 . . . . 567 ARG HB3 . 18398 1 1164 . 1 1 93 93 ARG HG2 H 1 1.769 0.03 . 2 . . . . 567 ARG HG2 . 18398 1 1165 . 1 1 93 93 ARG HG3 H 1 1.769 0.03 . 2 . . . . 567 ARG HG3 . 18398 1 1166 . 1 1 93 93 ARG HD2 H 1 3.228 0.03 . 2 . . . . 567 ARG HD2 . 18398 1 1167 . 1 1 93 93 ARG HD3 H 1 3.228 0.03 . 2 . . . . 567 ARG HD3 . 18398 1 1168 . 1 1 93 93 ARG C C 13 178.794 0.3 . 1 . . . . 567 ARG C . 18398 1 1169 . 1 1 93 93 ARG CA C 13 58.837 0.3 . 1 . . . . 567 ARG CA . 18398 1 1170 . 1 1 93 93 ARG CB C 13 30.525 0.3 . 1 . . . . 567 ARG CB . 18398 1 1171 . 1 1 93 93 ARG CG C 13 27.459 0.3 . 1 . . . . 567 ARG CG . 18398 1 1172 . 1 1 93 93 ARG CD C 13 43.501 0.3 . 1 . . . . 567 ARG CD . 18398 1 1173 . 1 1 93 93 ARG N N 15 119.481 0.3 . 1 . . . . 567 ARG N . 18398 1 1174 . 1 1 94 94 LYS H H 1 7.686 0.03 . 1 . . . . 568 LYS HN . 18398 1 1175 . 1 1 94 94 LYS HA H 1 4.158 0.03 . 1 . . . . 568 LYS HA . 18398 1 1176 . 1 1 94 94 LYS HB2 H 1 1.980 0.03 . 2 . . . . 568 LYS HB2 . 18398 1 1177 . 1 1 94 94 LYS HB3 H 1 1.980 0.03 . 2 . . . . 568 LYS HB3 . 18398 1 1178 . 1 1 94 94 LYS HG2 H 1 1.530 0.03 . 2 . . . . 568 LYS HG2 . 18398 1 1179 . 1 1 94 94 LYS HG3 H 1 1.633 0.03 . 2 . . . . 568 LYS HG3 . 18398 1 1180 . 1 1 94 94 LYS HD2 H 1 1.737 0.03 . 2 . . . . 568 LYS HD2 . 18398 1 1181 . 1 1 94 94 LYS HD3 H 1 1.737 0.03 . 2 . . . . 568 LYS HD3 . 18398 1 1182 . 1 1 94 94 LYS HE2 H 1 3.015 0.03 . 2 . . . . 568 LYS HE2 . 18398 1 1183 . 1 1 94 94 LYS HE3 H 1 3.015 0.03 . 2 . . . . 568 LYS HE3 . 18398 1 1184 . 1 1 94 94 LYS C C 13 178.668 0.3 . 1 . . . . 568 LYS C . 18398 1 1185 . 1 1 94 94 LYS CA C 13 58.645 0.3 . 1 . . . . 568 LYS CA . 18398 1 1186 . 1 1 94 94 LYS CB C 13 32.412 0.3 . 1 . . . . 568 LYS CB . 18398 1 1187 . 1 1 94 94 LYS CG C 13 25.260 0.3 . 1 . . . . 568 LYS CG . 18398 1 1188 . 1 1 94 94 LYS CD C 13 29.380 0.3 . 1 . . . . 568 LYS CD . 18398 1 1189 . 1 1 94 94 LYS CE C 13 42.300 0.3 . 1 . . . . 568 LYS CE . 18398 1 1190 . 1 1 94 94 LYS N N 15 118.610 0.3 . 1 . . . . 568 LYS N . 18398 1 1191 . 1 1 95 95 ARG H H 1 7.605 0.03 . 1 . . . . 569 ARG HN . 18398 1 1192 . 1 1 95 95 ARG HA H 1 4.271 0.03 . 1 . . . . 569 ARG HA . 18398 1 1193 . 1 1 95 95 ARG HB2 H 1 1.968 0.03 . 2 . . . . 569 ARG HB2 . 18398 1 1194 . 1 1 95 95 ARG HB3 H 1 2.023 0.03 . 2 . . . . 569 ARG HB3 . 18398 1 1195 . 1 1 95 95 ARG HG2 H 1 1.695 0.03 . 2 . . . . 569 ARG HG2 . 18398 1 1196 . 1 1 95 95 ARG HG3 H 1 1.941 0.03 . 2 . . . . 569 ARG HG3 . 18398 1 1197 . 1 1 95 95 ARG HD2 H 1 2.959 0.03 . 2 . . . . 569 ARG HD2 . 18398 1 1198 . 1 1 95 95 ARG HD3 H 1 3.124 0.03 . 2 . . . . 569 ARG HD3 . 18398 1 1199 . 1 1 95 95 ARG C C 13 177.412 0.3 . 1 . . . . 569 ARG C . 18398 1 1200 . 1 1 95 95 ARG CA C 13 57.605 0.3 . 1 . . . . 569 ARG CA . 18398 1 1201 . 1 1 95 95 ARG CB C 13 30.747 0.3 . 1 . . . . 569 ARG CB . 18398 1 1202 . 1 1 95 95 ARG CG C 13 27.618 0.3 . 1 . . . . 569 ARG CG . 18398 1 1203 . 1 1 95 95 ARG CD C 13 43.821 0.3 . 1 . . . . 569 ARG CD . 18398 1 1204 . 1 1 95 95 ARG N N 15 117.098 0.3 . 1 . . . . 569 ARG N . 18398 1 1205 . 1 1 96 96 GLU H H 1 7.683 0.03 . 1 . . . . 570 GLU HN . 18398 1 1206 . 1 1 96 96 GLU HA H 1 4.240 0.03 . 1 . . . . 570 GLU HA . 18398 1 1207 . 1 1 96 96 GLU HB2 H 1 2.127 0.03 . 2 . . . . 570 GLU HB2 . 18398 1 1208 . 1 1 96 96 GLU HB3 H 1 2.127 0.03 . 2 . . . . 570 GLU HB3 . 18398 1 1209 . 1 1 96 96 GLU HG2 H 1 2.470 0.03 . 2 . . . . 570 GLU HG2 . 18398 1 1210 . 1 1 96 96 GLU HG3 H 1 2.306 0.03 . 2 . . . . 570 GLU HG3 . 18398 1 1211 . 1 1 96 96 GLU C C 13 176.745 0.3 . 1 . . . . 570 GLU C . 18398 1 1212 . 1 1 96 96 GLU CA C 13 57.320 0.3 . 1 . . . . 570 GLU CA . 18398 1 1213 . 1 1 96 96 GLU CB C 13 30.578 0.3 . 1 . . . . 570 GLU CB . 18398 1 1214 . 1 1 96 96 GLU CG C 13 36.632 0.3 . 1 . . . . 570 GLU CG . 18398 1 1215 . 1 1 96 96 GLU N N 15 118.648 0.3 . 1 . . . . 570 GLU N . 18398 1 1216 . 1 1 97 97 GLN H H 1 7.884 0.03 . 1 . . . . 571 GLN HN . 18398 1 1217 . 1 1 97 97 GLN HA H 1 4.352 0.03 . 1 . . . . 571 GLN HA . 18398 1 1218 . 1 1 97 97 GLN HB2 H 1 2.067 0.03 . 2 . . . . 571 GLN HB2 . 18398 1 1219 . 1 1 97 97 GLN HB3 H 1 2.200 0.03 . 2 . . . . 571 GLN HB3 . 18398 1 1220 . 1 1 97 97 GLN HG2 H 1 2.464 0.03 . 2 . . . . 571 GLN HG2 . 18398 1 1221 . 1 1 97 97 GLN HG3 H 1 2.417 0.03 . 2 . . . . 571 GLN HG3 . 18398 1 1222 . 1 1 97 97 GLN C C 13 174.941 0.3 . 1 . . . . 571 GLN C . 18398 1 1223 . 1 1 97 97 GLN CA C 13 56.049 0.3 . 1 . . . . 571 GLN CA . 18398 1 1224 . 1 1 97 97 GLN CB C 13 28.993 0.3 . 1 . . . . 571 GLN CB . 18398 1 1225 . 1 1 97 97 GLN CG C 13 34.021 0.3 . 1 . . . . 571 GLN CG . 18398 1 1226 . 1 1 97 97 GLN N N 15 119.931 0.3 . 1 . . . . 571 GLN N . 18398 1 1227 . 1 1 98 98 ARG H H 1 7.772 0.03 . 1 . . . . 572 ARG HN . 18398 1 1228 . 1 1 98 98 ARG HA H 1 4.210 0.03 . 1 . . . . 572 ARG HA . 18398 1 1229 . 1 1 98 98 ARG HB2 H 1 1.740 0.03 . 2 . . . . 572 ARG HB2 . 18398 1 1230 . 1 1 98 98 ARG HB3 H 1 1.883 0.03 . 2 . . . . 572 ARG HB3 . 18398 1 1231 . 1 1 98 98 ARG HG2 H 1 1.636 0.03 . 2 . . . . 572 ARG HG2 . 18398 1 1232 . 1 1 98 98 ARG HG3 H 1 1.636 0.03 . 2 . . . . 572 ARG HG3 . 18398 1 1233 . 1 1 98 98 ARG HD2 H 1 3.228 0.03 . 2 . . . . 572 ARG HD2 . 18398 1 1234 . 1 1 98 98 ARG HD3 H 1 3.228 0.03 . 2 . . . . 572 ARG HD3 . 18398 1 1235 . 1 1 98 98 ARG CA C 13 57.722 0.3 . 1 . . . . 572 ARG CA . 18398 1 1236 . 1 1 98 98 ARG CB C 13 31.748 0.3 . 1 . . . . 572 ARG CB . 18398 1 1237 . 1 1 98 98 ARG CG C 13 27.329 0.3 . 1 . . . . 572 ARG CG . 18398 1 1238 . 1 1 98 98 ARG CD C 13 43.501 0.3 . 1 . . . . 572 ARG CD . 18398 1 1239 . 1 1 98 98 ARG N N 15 127.416 0.3 . 1 . . . . 572 ARG N . 18398 1 stop_ save_