data_17862 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17862 _Entry.Title ; Solution structure of Staphylococcus aureus IsdH linker domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-12 _Entry.Accession_date 2011-08-12 _Entry.Last_release_date 2012-06-19 _Entry.Original_release_date 2012-06-19 _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 'Solution structure of the domain linking NEAT-2 and NEAT-3 domains of IsdH of Staphylococcus aureus.' _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 Spirig . . . 17862 2 Robert Clubb . T. . 17862 3 G. Malmirchegini . R. . 17862 4 Scott Robson . A. . 17862 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' . 17862 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Heme acquisition' . 17862 'Hemoglobin receptor' . 17862 'Iron uptake' . 17862 'NEAT domain' . 17862 'Staphylococcus aureus' . 17862 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17862 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 357 17862 '15N chemical shifts' 82 17862 '1H chemical shifts' 568 17862 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-06-19 2011-08-12 original author . 17862 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LHR 'BMRB Entry Tracking System' 17862 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17862 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21917915 _Citation.Full_citation . _Citation.Title 'Structural basis for hemoglobin capture by Staphylococcus aureus cell-surface protein, IsdH.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 44 _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 38439 _Citation.Page_last 38447 _Citation.Year 2011 _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 Kaavya 'Krishna Kumar' . . . 17862 1 2 David Jacques . A. . 17862 1 3 Gleb Pishchany . . . 17862 1 4 Tom Caradoc-Davies . . . 17862 1 5 Thomas Spirig . . . 17862 1 6 'G. Reza' Malmirchegini . . . 17862 1 7 David Langley . B. . 17862 1 8 Claire Dickson . F. . 17862 1 9 Joel Mackay . P. . 17862 1 10 Robert Clubb . T. . 17862 1 11 Eric Skaar . P. . 17862 1 12 'J. Mitchell' Guss . . . 17862 1 13 David Gell . A. . 17862 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17862 _Assembly.ID 1 _Assembly.Name 'Staphylococcus aureus IsdH linker 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 'Staphylococcus aureus IsdH linker domain' 1 $IsdH A . yes native no no . . . 17862 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IsdH _Entity.Sf_category entity _Entity.Sf_framecode IsdH _Entity.Entry_ID 17862 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; SDDYVDEETYNLQKLLAPYH KAKTLERQVYELEKLQEKLP EKYKAEYKKKLDQTRVELAD QVKSAVTEFENVTPTNDQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1 represents a non-native residue left after cleaving of the affinity tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9280.425 _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 BMRB 17820 . IsdH-N2N3 . . . . . 98.72 336 100.00 100.00 1.09e-42 . . . . 17862 1 2 no PDB 2LHR . "Solution Structure Of Staphylococcus Aureus Isdh Linker Domain" . . . . . 100.00 78 100.00 100.00 1.32e-45 . . . . 17862 1 3 no PDB 4IJ2 . "Human Methemoglobin In Complex With The Second And Third Neat Domains Of Isdh From Staphylococcus Aureus" . . . . . 98.72 336 100.00 100.00 1.09e-42 . . . . 17862 1 4 no PDB 4XS0 . "Human Methemoglobin In Complex With The Second And Third Neat Domains Of Isdh(f365y/a369f/y642a) From Staphylococcus Aureus" . . . . . 98.72 336 100.00 100.00 1.28e-42 . . . . 17862 1 5 no DBJ BAB42820 . "hypothetical protein [Staphylococcus aureus subsp. aureus N315]" . . . . . 98.72 891 100.00 100.00 3.71e-41 . . . . 17862 1 6 no DBJ BAB57893 . "hypothetical protein [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 98.72 891 100.00 100.00 3.94e-41 . . . . 17862 1 7 no DBJ BAB95538 . "hypothetical protein [Staphylococcus aureus subsp. aureus MW2]" . . . . . 98.72 895 100.00 100.00 3.45e-41 . . . . 17862 1 8 no DBJ BAF67896 . "haptoglobin-binding surface anchored protein [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 98.72 895 100.00 100.00 3.84e-41 . . . . 17862 1 9 no DBJ BAF78600 . "hypothetical protein SAHV_1717 [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 98.72 891 100.00 100.00 3.94e-41 . . . . 17862 1 10 no EMBL CAG43459 . "haptoglobin-binding surface anchored protein [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 98.72 895 100.00 100.00 3.45e-41 . . . . 17862 1 11 no EMBL CAI81279 . "iron-regulated surface protein [Staphylococcus aureus RF122]" . . . . . 98.72 617 100.00 100.00 7.07e-42 . . . . 17862 1 12 no EMBL CAQ50207 . "iron-regulated surface determinant protein H (Haptoglobinreceptor A) (Staphylococcus aureus surface protein I) [Staphylococcus " . . . . . 98.72 895 98.70 100.00 7.22e-41 . . . . 17862 1 13 no EMBL CBI49597 . "haptoglobin-binding surface protein [Staphylococcus aureus subsp. aureus TW20]" . . . . . 98.72 895 100.00 100.00 3.73e-41 . . . . 17862 1 14 no EMBL CBX34951 . "LPXTG-motif cell wall anchor domain protein [Staphylococcus aureus subsp. aureus ECT-R 2]" . . . . . 98.72 891 100.00 100.00 3.94e-41 . . . . 17862 1 15 no GB AAW38309 . "cell wall surface anchor family protein [Staphylococcus aureus subsp. aureus COL]" . . . . . 98.72 895 100.00 100.00 3.84e-41 . . . . 17862 1 16 no GB ABD20516 . "cell wall surface anchor family protein [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 98.72 895 100.00 100.00 3.84e-41 . . . . 17862 1 17 no GB ABD30910 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 98.72 895 100.00 100.00 3.84e-41 . . . . 17862 1 18 no GB ABQ49576 . "LPXTG-motif cell wall anchor domain [Staphylococcus aureus subsp. aureus JH9]" . . . . . 98.72 891 100.00 100.00 3.94e-41 . . . . 17862 1 19 no GB ABR52665 . "LPXTG-motif cell wall anchor domain [Staphylococcus aureus subsp. aureus JH1]" . . . . . 98.72 891 100.00 100.00 3.94e-41 . . . . 17862 1 20 no REF WP_001032759 . "iron-regulated surface determinant protein H [Staphylococcus aureus]" . . . . . 98.72 895 100.00 100.00 3.45e-41 . . . . 17862 1 21 no REF WP_001032760 . "heme transporter HarA [Staphylococcus aureus]" . . . . . 98.72 895 100.00 100.00 3.45e-41 . . . . 17862 1 22 no REF WP_001032761 . "iron-regulated surface determinant protein H [Staphylococcus aureus]" . . . . . 98.72 895 100.00 100.00 3.84e-41 . . . . 17862 1 23 no REF WP_001032762 . "heme transporter HarA [Staphylococcus aureus]" . . . . . 98.72 895 100.00 100.00 3.34e-41 . . . . 17862 1 24 no REF WP_001032763 . "heme transporter HarA [Staphylococcus aureus]" . . . . . 98.72 895 98.70 98.70 1.63e-39 . . . . 17862 1 25 no SP Q2FG07 . "RecName: Full=Iron-regulated surface determinant protein H; AltName: Full=Haptoglobin receptor A; AltName: Full=Staphylococcus " . . . . . 98.72 895 100.00 100.00 3.84e-41 . . . . 17862 1 26 no SP Q2FXJ2 . "RecName: Full=Iron-regulated surface determinant protein H; AltName: Full=Haptoglobin receptor A; AltName: Full=Staphylococcus " . . . . . 98.72 895 100.00 100.00 3.84e-41 . . . . 17862 1 27 no SP Q2YTF7 . "RecName: Full=Iron-regulated surface determinant protein H; AltName: Full=Haptoglobin receptor A; AltName: Full=Staphylococcus " . . . . . 98.72 893 100.00 100.00 2.98e-41 . . . . 17862 1 28 no SP Q5HF43 . "RecName: Full=Iron-regulated surface determinant protein H; AltName: Full=Haptoglobin receptor A; AltName: Full=Staphylococcus " . . . . . 98.72 895 100.00 100.00 3.84e-41 . . . . 17862 1 29 no SP Q6G8J7 . "RecName: Full=Iron-regulated surface determinant protein H; AltName: Full=Haptoglobin receptor A; AltName: Full=Staphylococcus " . . . . . 98.72 895 100.00 100.00 3.45e-41 . . . . 17862 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 1 466 SER . 17862 1 2 467 ASP . 17862 1 3 468 ASP . 17862 1 4 469 TYR . 17862 1 5 470 VAL . 17862 1 6 471 ASP . 17862 1 7 472 GLU . 17862 1 8 473 GLU . 17862 1 9 474 THR . 17862 1 10 475 TYR . 17862 1 11 476 ASN . 17862 1 12 477 LEU . 17862 1 13 478 GLN . 17862 1 14 479 LYS . 17862 1 15 480 LEU . 17862 1 16 481 LEU . 17862 1 17 482 ALA . 17862 1 18 483 PRO . 17862 1 19 484 TYR . 17862 1 20 485 HIS . 17862 1 21 486 LYS . 17862 1 22 487 ALA . 17862 1 23 488 LYS . 17862 1 24 489 THR . 17862 1 25 490 LEU . 17862 1 26 491 GLU . 17862 1 27 492 ARG . 17862 1 28 493 GLN . 17862 1 29 494 VAL . 17862 1 30 495 TYR . 17862 1 31 496 GLU . 17862 1 32 497 LEU . 17862 1 33 498 GLU . 17862 1 34 499 LYS . 17862 1 35 500 LEU . 17862 1 36 501 GLN . 17862 1 37 502 GLU . 17862 1 38 503 LYS . 17862 1 39 504 LEU . 17862 1 40 505 PRO . 17862 1 41 506 GLU . 17862 1 42 507 LYS . 17862 1 43 508 TYR . 17862 1 44 509 LYS . 17862 1 45 510 ALA . 17862 1 46 511 GLU . 17862 1 47 512 TYR . 17862 1 48 513 LYS . 17862 1 49 514 LYS . 17862 1 50 515 LYS . 17862 1 51 516 LEU . 17862 1 52 517 ASP . 17862 1 53 518 GLN . 17862 1 54 519 THR . 17862 1 55 520 ARG . 17862 1 56 521 VAL . 17862 1 57 522 GLU . 17862 1 58 523 LEU . 17862 1 59 524 ALA . 17862 1 60 525 ASP . 17862 1 61 526 GLN . 17862 1 62 527 VAL . 17862 1 63 528 LYS . 17862 1 64 529 SER . 17862 1 65 530 ALA . 17862 1 66 531 VAL . 17862 1 67 532 THR . 17862 1 68 533 GLU . 17862 1 69 534 PHE . 17862 1 70 535 GLU . 17862 1 71 536 ASN . 17862 1 72 537 VAL . 17862 1 73 538 THR . 17862 1 74 539 PRO . 17862 1 75 540 THR . 17862 1 76 541 ASN . 17862 1 77 542 ASP . 17862 1 78 543 GLN . 17862 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 . SER 1 1 17862 1 . ASP 2 2 17862 1 . ASP 3 3 17862 1 . TYR 4 4 17862 1 . VAL 5 5 17862 1 . ASP 6 6 17862 1 . GLU 7 7 17862 1 . GLU 8 8 17862 1 . THR 9 9 17862 1 . TYR 10 10 17862 1 . ASN 11 11 17862 1 . LEU 12 12 17862 1 . GLN 13 13 17862 1 . LYS 14 14 17862 1 . LEU 15 15 17862 1 . LEU 16 16 17862 1 . ALA 17 17 17862 1 . PRO 18 18 17862 1 . TYR 19 19 17862 1 . HIS 20 20 17862 1 . LYS 21 21 17862 1 . ALA 22 22 17862 1 . LYS 23 23 17862 1 . THR 24 24 17862 1 . LEU 25 25 17862 1 . GLU 26 26 17862 1 . ARG 27 27 17862 1 . GLN 28 28 17862 1 . VAL 29 29 17862 1 . TYR 30 30 17862 1 . GLU 31 31 17862 1 . LEU 32 32 17862 1 . GLU 33 33 17862 1 . LYS 34 34 17862 1 . LEU 35 35 17862 1 . GLN 36 36 17862 1 . GLU 37 37 17862 1 . LYS 38 38 17862 1 . LEU 39 39 17862 1 . PRO 40 40 17862 1 . GLU 41 41 17862 1 . LYS 42 42 17862 1 . TYR 43 43 17862 1 . LYS 44 44 17862 1 . ALA 45 45 17862 1 . GLU 46 46 17862 1 . TYR 47 47 17862 1 . LYS 48 48 17862 1 . LYS 49 49 17862 1 . LYS 50 50 17862 1 . LEU 51 51 17862 1 . ASP 52 52 17862 1 . GLN 53 53 17862 1 . THR 54 54 17862 1 . ARG 55 55 17862 1 . VAL 56 56 17862 1 . GLU 57 57 17862 1 . LEU 58 58 17862 1 . ALA 59 59 17862 1 . ASP 60 60 17862 1 . GLN 61 61 17862 1 . VAL 62 62 17862 1 . LYS 63 63 17862 1 . SER 64 64 17862 1 . ALA 65 65 17862 1 . VAL 66 66 17862 1 . THR 67 67 17862 1 . GLU 68 68 17862 1 . PHE 69 69 17862 1 . GLU 70 70 17862 1 . ASN 71 71 17862 1 . VAL 72 72 17862 1 . THR 73 73 17862 1 . PRO 74 74 17862 1 . THR 75 75 17862 1 . ASN 76 76 17862 1 . ASP 77 77 17862 1 . GLN 78 78 17862 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 17862 _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 $IsdH . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 17862 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 17862 _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 $IsdH . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . - . . . . . . 17862 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17862 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'IsdH linker' '[U-100% 15N]' . . 1 $IsdH . . 1.1 . . mM . . . . 17862 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17862 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17862 1 4 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 100 . . uM . . . . 17862 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 17862 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17862 1 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17862 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17862 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'IsdH linker' '[U-100% 13C; U-100% 15N]' . . 1 $IsdH . . 1.3 . . mM . . . . 17862 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17862 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17862 2 4 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 100 . . uM . . . . 17862 2 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 17862 2 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17862 2 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17862 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17862 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'IsdH linker' '[U-100% 13C; U-100% 15N]' . . 1 $IsdH . . 1.3 . . mM . . . . 17862 3 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17862 3 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17862 3 4 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 100 . . uM . . . . 17862 3 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 17862 3 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17862 3 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 17862 _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' 140 . mM 17862 1 pH 6.0 . pH 17862 1 pressure 1 . atm 17862 1 temperature 298 . K 17862 1 stop_ save_ ############################ # Computer software used # ############################ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 17862 _Software.ID 1 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 17862 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17862 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17862 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17862 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17862 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17862 _Software.ID 3 _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' . . 17862 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17862 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17862 _Software.ID 4 _Software.Name NMRDraw _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' . . 17862 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17862 4 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 17862 _Software.ID 5 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 17862 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17862 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 17862 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 17862 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17862 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17862 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17862 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17862 7 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17862 _Software.ID 8 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17862 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17862 8 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17862 _Software.ID 9 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Keller . . 17862 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17862 9 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17862 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17862 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17862 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17862 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 17862 1 2 spectrometer_2 Bruker Avance . 600 . . . 17862 1 3 spectrometer_3 Bruker Avance . 800 . . . 17862 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 17862 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17862 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17862 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17862 1 4 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17862 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17862 1 6 '3D CC(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17862 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17862 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17862 1 9 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17862 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17862 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17862 1 12 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17862 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17862 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17862 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17862 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17862 1 17 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17862 1 18 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17862 1 19 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17862 1 20 '2D CB(CGCD)HD' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17862 1 21 '2D CB(CGCD)HE' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17862 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17862 _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 na indirect 0.251449530 . . . . . . . . . 17862 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 17862 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 17862 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 17862 _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' . . . 17862 1 2 '3D HNCACB' . . . 17862 1 3 '3D CBCA(CO)NH' . . . 17862 1 4 '3D HN(CA)CO' . . . 17862 1 5 '3D HNCO' . . . 17862 1 6 '3D CC(CO)NH' . . . 17862 1 7 '3D HBHA(CO)NH' . . . 17862 1 8 '3D HNHA' . . . 17862 1 9 '3D HNHB' . . . 17862 1 10 '3D HCCH-TOCSY' . . . 17862 1 11 '3D 1H-15N TOCSY' . . . 17862 1 12 '3D HCCH-COSY' . . . 17862 1 14 '3D 1H-15N NOESY' . . . 17862 1 16 '3D 1H-13C NOESY' . . . 17862 1 18 '2D 1H-13C HSQC' . . . 17862 1 19 '3D 1H-13C NOESY aromatic' . . . 17862 1 20 '2D CB(CGCD)HD' . . . 17862 1 21 '2D CB(CGCD)HE' . . . 17862 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 3 3 ASP H H 1 8.2500 . . 1 . . . A 468 ASP H . 17862 1 2 . 1 1 3 3 ASP HA H 1 4.4700 . . 1 . . . A 468 ASP HA . 17862 1 3 . 1 1 3 3 ASP HB2 H 1 2.4500 . . 2 . . . A 468 ASP HB2 . 17862 1 4 . 1 1 3 3 ASP HB3 H 1 2.5400 . . 2 . . . A 468 ASP HB3 . 17862 1 5 . 1 1 3 3 ASP C C 13 175.0600 . . 1 . . . A 468 ASP C . 17862 1 6 . 1 1 3 3 ASP CA C 13 54.1200 . . 1 . . . A 468 ASP CA . 17862 1 7 . 1 1 3 3 ASP CB C 13 40.6800 . . 1 . . . A 468 ASP CB . 17862 1 8 . 1 1 3 3 ASP N N 15 120.4100 . . 1 . . . A 468 ASP N . 17862 1 9 . 1 1 4 4 TYR H H 1 8.0600 . . 1 . . . A 469 TYR H . 17862 1 10 . 1 1 4 4 TYR HA H 1 4.4700 . . 1 . . . A 469 TYR HA . 17862 1 11 . 1 1 4 4 TYR HB2 H 1 2.9200 . . 2 . . . A 469 TYR HB2 . 17862 1 12 . 1 1 4 4 TYR HB3 H 1 2.9200 . . 2 . . . A 469 TYR HB3 . 17862 1 13 . 1 1 4 4 TYR HD1 H 1 7.0000 . . 3 . . . A 469 TYR HD1 . 17862 1 14 . 1 1 4 4 TYR HD2 H 1 7.0000 . . 3 . . . A 469 TYR HD2 . 17862 1 15 . 1 1 4 4 TYR HE1 H 1 6.7600 . . 3 . . . A 469 TYR HE1 . 17862 1 16 . 1 1 4 4 TYR HE2 H 1 6.7600 . . 3 . . . A 469 TYR HE2 . 17862 1 17 . 1 1 4 4 TYR C C 13 175.2800 . . 1 . . . A 469 TYR C . 17862 1 18 . 1 1 4 4 TYR CA C 13 57.8100 . . 1 . . . A 469 TYR CA . 17862 1 19 . 1 1 4 4 TYR CB C 13 38.2300 . . 1 . . . A 469 TYR CB . 17862 1 20 . 1 1 4 4 TYR CD1 C 13 132.9400 . . 3 . . . A 469 TYR CD1 . 17862 1 21 . 1 1 4 4 TYR CD2 C 13 132.9400 . . 3 . . . A 469 TYR CD2 . 17862 1 22 . 1 1 4 4 TYR CE1 C 13 117.9800 . . 3 . . . A 469 TYR CE1 . 17862 1 23 . 1 1 4 4 TYR CE2 C 13 117.9800 . . 3 . . . A 469 TYR CE2 . 17862 1 24 . 1 1 4 4 TYR N N 15 120.7000 . . 1 . . . A 469 TYR N . 17862 1 25 . 1 1 5 5 VAL H H 1 7.9200 . . 1 . . . A 470 VAL H . 17862 1 26 . 1 1 5 5 VAL HA H 1 3.9500 . . 1 . . . A 470 VAL HA . 17862 1 27 . 1 1 5 5 VAL HB H 1 1.9000 . . 1 . . . A 470 VAL HB . 17862 1 28 . 1 1 5 5 VAL HG11 H 1 0.8000 . . 2 . . . A 470 VAL HG11 . 17862 1 29 . 1 1 5 5 VAL HG12 H 1 0.8000 . . 2 . . . A 470 VAL HG12 . 17862 1 30 . 1 1 5 5 VAL HG13 H 1 0.8000 . . 2 . . . A 470 VAL HG13 . 17862 1 31 . 1 1 5 5 VAL HG21 H 1 0.8300 . . 2 . . . A 470 VAL HG21 . 17862 1 32 . 1 1 5 5 VAL HG22 H 1 0.8300 . . 2 . . . A 470 VAL HG22 . 17862 1 33 . 1 1 5 5 VAL HG23 H 1 0.8300 . . 2 . . . A 470 VAL HG23 . 17862 1 34 . 1 1 5 5 VAL C C 13 174.9600 . . 1 . . . A 470 VAL C . 17862 1 35 . 1 1 5 5 VAL CA C 13 61.9100 . . 1 . . . A 470 VAL CA . 17862 1 36 . 1 1 5 5 VAL CB C 13 32.3800 . . 1 . . . A 470 VAL CB . 17862 1 37 . 1 1 5 5 VAL CG1 C 13 21.4500 . . 2 . . . A 470 VAL CG1 . 17862 1 38 . 1 1 5 5 VAL CG2 C 13 20.4500 . . 2 . . . A 470 VAL CG2 . 17862 1 39 . 1 1 5 5 VAL N N 15 123.5800 . . 1 . . . A 470 VAL N . 17862 1 40 . 1 1 6 6 ASP H H 1 8.1000 . . 1 . . . A 471 ASP H . 17862 1 41 . 1 1 6 6 ASP HA H 1 4.5100 . . 1 . . . A 471 ASP HA . 17862 1 42 . 1 1 6 6 ASP HB2 H 1 2.7600 . . 2 . . . A 471 ASP HB2 . 17862 1 43 . 1 1 6 6 ASP HB3 H 1 2.8000 . . 2 . . . A 471 ASP HB3 . 17862 1 44 . 1 1 6 6 ASP C C 13 175.9100 . . 1 . . . A 471 ASP C . 17862 1 45 . 1 1 6 6 ASP CA C 13 53.4700 . . 1 . . . A 471 ASP CA . 17862 1 46 . 1 1 6 6 ASP CB C 13 40.8700 . . 1 . . . A 471 ASP CB . 17862 1 47 . 1 1 6 6 ASP N N 15 123.1900 . . 1 . . . A 471 ASP N . 17862 1 48 . 1 1 7 7 GLU H H 1 8.5300 . . 1 . . . A 472 GLU H . 17862 1 49 . 1 1 7 7 GLU HA H 1 4.0450 . . 1 . . . A 472 GLU HA . 17862 1 50 . 1 1 7 7 GLU HB2 H 1 2.0400 . . 2 . . . A 472 GLU HB2 . 17862 1 51 . 1 1 7 7 GLU HB3 H 1 2.0400 . . 2 . . . A 472 GLU HB3 . 17862 1 52 . 1 1 7 7 GLU HG2 H 1 2.2800 . . 2 . . . A 472 GLU HG2 . 17862 1 53 . 1 1 7 7 GLU C C 13 177.8000 . . 1 . . . A 472 GLU C . 17862 1 54 . 1 1 7 7 GLU CA C 13 58.7300 . . 1 . . . A 472 GLU CA . 17862 1 55 . 1 1 7 7 GLU CB C 13 29.4500 . . 1 . . . A 472 GLU CB . 17862 1 56 . 1 1 7 7 GLU CG C 13 35.9400 . . 1 . . . A 472 GLU CG . 17862 1 57 . 1 1 7 7 GLU N N 15 122.5700 . . 1 . . . A 472 GLU N . 17862 1 58 . 1 1 8 8 GLU H H 1 8.4300 . . 1 . . . A 473 GLU H . 17862 1 59 . 1 1 8 8 GLU HA H 1 4.1500 . . 1 . . . A 473 GLU HA . 17862 1 60 . 1 1 8 8 GLU HB2 H 1 2.1100 . . 2 . . . A 473 GLU HB2 . 17862 1 61 . 1 1 8 8 GLU HB3 H 1 2.1100 . . 2 . . . A 473 GLU HB3 . 17862 1 62 . 1 1 8 8 GLU HG2 H 1 2.2800 . . 2 . . . A 473 GLU HG2 . 17862 1 63 . 1 1 8 8 GLU HG3 H 1 2.3500 . . 2 . . . A 473 GLU HG3 . 17862 1 64 . 1 1 8 8 GLU C C 13 178.6800 . . 1 . . . A 473 GLU C . 17862 1 65 . 1 1 8 8 GLU CA C 13 58.7300 . . 1 . . . A 473 GLU CA . 17862 1 66 . 1 1 8 8 GLU CB C 13 29.1800 . . 1 . . . A 473 GLU CB . 17862 1 67 . 1 1 8 8 GLU CG C 13 36.6300 . . 1 . . . A 473 GLU CG . 17862 1 68 . 1 1 8 8 GLU N N 15 120.0500 . . 1 . . . A 473 GLU N . 17862 1 69 . 1 1 9 9 THR H H 1 8.1800 . . 1 . . . A 474 THR H . 17862 1 70 . 1 1 9 9 THR HA H 1 3.9200 . . 1 . . . A 474 THR HA . 17862 1 71 . 1 1 9 9 THR HB H 1 4.1300 . . 1 . . . A 474 THR HB . 17862 1 72 . 1 1 9 9 THR HG21 H 1 1.1600 . . 1 . . . A 474 THR HG21 . 17862 1 73 . 1 1 9 9 THR HG22 H 1 1.1600 . . 1 . . . A 474 THR HG22 . 17862 1 74 . 1 1 9 9 THR HG23 H 1 1.1600 . . 1 . . . A 474 THR HG23 . 17862 1 75 . 1 1 9 9 THR C C 13 175.8300 . . 1 . . . A 474 THR C . 17862 1 76 . 1 1 9 9 THR CA C 13 65.2000 . . 1 . . . A 474 THR CA . 17862 1 77 . 1 1 9 9 THR CB C 13 68.1000 . . 1 . . . A 474 THR CB . 17862 1 78 . 1 1 9 9 THR CG2 C 13 21.2700 . . 1 . . . A 474 THR CG2 . 17862 1 79 . 1 1 9 9 THR N N 15 116.5400 . . 1 . . . A 474 THR N . 17862 1 80 . 1 1 10 10 TYR H H 1 8.1600 . . 1 . . . A 475 TYR H . 17862 1 81 . 1 1 10 10 TYR HA H 1 4.1700 . . 1 . . . A 475 TYR HA . 17862 1 82 . 1 1 10 10 TYR HB2 H 1 2.9700 . . 2 . . . A 475 TYR HB2 . 17862 1 83 . 1 1 10 10 TYR HB3 H 1 3.0000 . . 2 . . . A 475 TYR HB3 . 17862 1 84 . 1 1 10 10 TYR HD1 H 1 7.0400 . . 3 . . . A 475 TYR HD1 . 17862 1 85 . 1 1 10 10 TYR HD2 H 1 7.0400 . . 3 . . . A 475 TYR HD2 . 17862 1 86 . 1 1 10 10 TYR HE1 H 1 6.7900 . . 3 . . . A 475 TYR HE1 . 17862 1 87 . 1 1 10 10 TYR HE2 H 1 6.7900 . . 3 . . . A 475 TYR HE2 . 17862 1 88 . 1 1 10 10 TYR C C 13 177.2500 . . 1 . . . A 475 TYR C . 17862 1 89 . 1 1 10 10 TYR CA C 13 59.9100 . . 1 . . . A 475 TYR CA . 17862 1 90 . 1 1 10 10 TYR CB C 13 37.6500 . . 1 . . . A 475 TYR CB . 17862 1 91 . 1 1 10 10 TYR CD1 C 13 133.0400 . . 3 . . . A 475 TYR CD1 . 17862 1 92 . 1 1 10 10 TYR CD2 C 13 133.0400 . . 3 . . . A 475 TYR CD2 . 17862 1 93 . 1 1 10 10 TYR CE1 C 13 117.9800 . . 3 . . . A 475 TYR CE1 . 17862 1 94 . 1 1 10 10 TYR CE2 C 13 117.9800 . . 3 . . . A 475 TYR CE2 . 17862 1 95 . 1 1 10 10 TYR N N 15 122.8900 . . 1 . . . A 475 TYR N . 17862 1 96 . 1 1 11 11 ASN H H 1 8.4000 . . 1 . . . A 476 ASN H . 17862 1 97 . 1 1 11 11 ASN HA H 1 4.3400 . . 1 . . . A 476 ASN HA . 17862 1 98 . 1 1 11 11 ASN HB2 H 1 2.7800 . . 2 . . . A 476 ASN HB2 . 17862 1 99 . 1 1 11 11 ASN HB3 H 1 2.8600 . . 2 . . . A 476 ASN HB3 . 17862 1 100 . 1 1 11 11 ASN HD21 H 1 7.0500 . . 2 . . . A 476 ASN HD21 . 17862 1 101 . 1 1 11 11 ASN HD22 H 1 7.7100 . . 2 . . . A 476 ASN HD22 . 17862 1 102 . 1 1 11 11 ASN C C 13 177.3800 . . 1 . . . A 476 ASN C . 17862 1 103 . 1 1 11 11 ASN CA C 13 55.2200 . . 1 . . . A 476 ASN CA . 17862 1 104 . 1 1 11 11 ASN CB C 13 37.9400 . . 1 . . . A 476 ASN CB . 17862 1 105 . 1 1 11 11 ASN N N 15 118.2100 . . 1 . . . A 476 ASN N . 17862 1 106 . 1 1 11 11 ASN ND2 N 15 112.8700 . . 1 . . . A 476 ASN ND2 . 17862 1 107 . 1 1 12 12 LEU H H 1 8.1000 . . 1 . . . A 477 LEU H . 17862 1 108 . 1 1 12 12 LEU HA H 1 3.8400 . . 1 . . . A 477 LEU HA . 17862 1 109 . 1 1 12 12 LEU HB2 H 1 1.6900 . . 2 . . . A 477 LEU HB2 . 17862 1 110 . 1 1 12 12 LEU HB3 H 1 1.4100 . . 2 . . . A 477 LEU HB3 . 17862 1 111 . 1 1 12 12 LEU HG H 1 1.2800 . . 1 . . . A 477 LEU HG . 17862 1 112 . 1 1 12 12 LEU HD11 H 1 0.2700 . . 2 . . . A 477 LEU HD11 . 17862 1 113 . 1 1 12 12 LEU HD12 H 1 0.2700 . . 2 . . . A 477 LEU HD12 . 17862 1 114 . 1 1 12 12 LEU HD13 H 1 0.2700 . . 2 . . . A 477 LEU HD13 . 17862 1 115 . 1 1 12 12 LEU HD21 H 1 0.3650 . . 2 . . . A 477 LEU HD21 . 17862 1 116 . 1 1 12 12 LEU HD22 H 1 0.3650 . . 2 . . . A 477 LEU HD22 . 17862 1 117 . 1 1 12 12 LEU HD23 H 1 0.3650 . . 2 . . . A 477 LEU HD23 . 17862 1 118 . 1 1 12 12 LEU C C 13 177.8200 . . 1 . . . A 477 LEU C . 17862 1 119 . 1 1 12 12 LEU CA C 13 57.5300 . . 1 . . . A 477 LEU CA . 17862 1 120 . 1 1 12 12 LEU CB C 13 41.1600 . . 1 . . . A 477 LEU CB . 17862 1 121 . 1 1 12 12 LEU CG C 13 26.0500 . . 1 . . . A 477 LEU CG . 17862 1 122 . 1 1 12 12 LEU CD1 C 13 22.5200 . . 2 . . . A 477 LEU CD1 . 17862 1 123 . 1 1 12 12 LEU CD2 C 13 23.8800 . . 2 . . . A 477 LEU CD2 . 17862 1 124 . 1 1 12 12 LEU N N 15 122.8100 . . 1 . . . A 477 LEU N . 17862 1 125 . 1 1 13 13 GLN H H 1 8.0900 . . 1 . . . A 478 GLN H . 17862 1 126 . 1 1 13 13 GLN HA H 1 3.8000 . . 1 . . . A 478 GLN HA . 17862 1 127 . 1 1 13 13 GLN HB2 H 1 2.0500 . . 2 . . . A 478 GLN HB2 . 17862 1 128 . 1 1 13 13 GLN HB3 H 1 2.0500 . . 2 . . . A 478 GLN HB3 . 17862 1 129 . 1 1 13 13 GLN HG2 H 1 2.3800 . . 2 . . . A 478 GLN HG2 . 17862 1 130 . 1 1 13 13 GLN HG3 H 1 2.4800 . . 2 . . . A 478 GLN HG3 . 17862 1 131 . 1 1 13 13 GLN HE21 H 1 6.8500 . . 2 . . . A 478 GLN HE21 . 17862 1 132 . 1 1 13 13 GLN HE22 H 1 7.2800 . . 2 . . . A 478 GLN HE22 . 17862 1 133 . 1 1 13 13 GLN C C 13 179.1900 . . 1 . . . A 478 GLN C . 17862 1 134 . 1 1 13 13 GLN CA C 13 58.7300 . . 1 . . . A 478 GLN CA . 17862 1 135 . 1 1 13 13 GLN CB C 13 27.1100 . . 1 . . . A 478 GLN CB . 17862 1 136 . 1 1 13 13 GLN CG C 13 33.2100 . . 1 . . . A 478 GLN CG . 17862 1 137 . 1 1 13 13 GLN N N 15 116.5100 . . 1 . . . A 478 GLN N . 17862 1 138 . 1 1 13 13 GLN NE2 N 15 111.7500 . . 1 . . . A 478 GLN NE2 . 17862 1 139 . 1 1 14 14 LYS H H 1 7.5600 . . 1 . . . A 479 LYS H . 17862 1 140 . 1 1 14 14 LYS HA H 1 3.9600 . . 1 . . . A 479 LYS HA . 17862 1 141 . 1 1 14 14 LYS HB2 H 1 1.7200 . . 2 . . . A 479 LYS HB2 . 17862 1 142 . 1 1 14 14 LYS HB3 H 1 1.7200 . . 2 . . . A 479 LYS HB3 . 17862 1 143 . 1 1 14 14 LYS HG2 H 1 1.2300 . . 2 . . . A 479 LYS HG2 . 17862 1 144 . 1 1 14 14 LYS HG3 H 1 1.3500 . . 2 . . . A 479 LYS HG3 . 17862 1 145 . 1 1 14 14 LYS HD2 H 1 1.5500 . . 2 . . . A 479 LYS HD2 . 17862 1 146 . 1 1 14 14 LYS HD3 H 1 1.5500 . . 2 . . . A 479 LYS HD3 . 17862 1 147 . 1 1 14 14 LYS HE2 H 1 2.7900 . . 2 . . . A 479 LYS HE2 . 17862 1 148 . 1 1 14 14 LYS HE3 H 1 2.8400 . . 2 . . . A 479 LYS HE3 . 17862 1 149 . 1 1 14 14 LYS C C 13 179.7300 . . 1 . . . A 479 LYS C . 17862 1 150 . 1 1 14 14 LYS CA C 13 58.8300 . . 1 . . . A 479 LYS CA . 17862 1 151 . 1 1 14 14 LYS CB C 13 31.5200 . . 1 . . . A 479 LYS CB . 17862 1 152 . 1 1 14 14 LYS CG C 13 24.9000 . . 1 . . . A 479 LYS CG . 17862 1 153 . 1 1 14 14 LYS CD C 13 29.0800 . . 1 . . . A 479 LYS CD . 17862 1 154 . 1 1 14 14 LYS CE C 13 41.6500 . . 1 . . . A 479 LYS CE . 17862 1 155 . 1 1 14 14 LYS N N 15 118.5200 . . 1 . . . A 479 LYS N . 17862 1 156 . 1 1 15 15 LEU H H 1 7.7300 . . 1 . . . A 480 LEU H . 17862 1 157 . 1 1 15 15 LEU HA H 1 3.9400 . . 1 . . . A 480 LEU HA . 17862 1 158 . 1 1 15 15 LEU HB2 H 1 1.3100 . . 2 . . . A 480 LEU HB2 . 17862 1 159 . 1 1 15 15 LEU HB3 H 1 1.7800 . . 2 . . . A 480 LEU HB3 . 17862 1 160 . 1 1 15 15 LEU HG H 1 1.6600 . . 1 . . . A 480 LEU HG . 17862 1 161 . 1 1 15 15 LEU HD11 H 1 0.7300 . . 2 . . . A 480 LEU HD11 . 17862 1 162 . 1 1 15 15 LEU HD12 H 1 0.7300 . . 2 . . . A 480 LEU HD12 . 17862 1 163 . 1 1 15 15 LEU HD13 H 1 0.7300 . . 2 . . . A 480 LEU HD13 . 17862 1 164 . 1 1 15 15 LEU HD21 H 1 0.7700 . . 2 . . . A 480 LEU HD21 . 17862 1 165 . 1 1 15 15 LEU HD22 H 1 0.7700 . . 1 . . . A 480 LEU HD22 . 17862 1 166 . 1 1 15 15 LEU HD23 H 1 0.7700 . . 2 . . . A 480 LEU HD23 . 17862 1 167 . 1 1 15 15 LEU C C 13 178.7600 . . 1 . . . A 480 LEU C . 17862 1 168 . 1 1 15 15 LEU CA C 13 56.8300 . . 1 . . . A 480 LEU CA . 17862 1 169 . 1 1 15 15 LEU CB C 13 42.0700 . . 1 . . . A 480 LEU CB . 17862 1 170 . 1 1 15 15 LEU CG C 13 26.3200 . . 1 . . . A 480 LEU CG . 17862 1 171 . 1 1 15 15 LEU CD1 C 13 23.7200 . . 2 . . . A 480 LEU CD1 . 17862 1 172 . 1 1 15 15 LEU CD2 C 13 24.9300 . . 2 . . . A 480 LEU CD2 . 17862 1 173 . 1 1 15 15 LEU N N 15 120.6100 . . 1 . . . A 480 LEU N . 17862 1 174 . 1 1 16 16 LEU H H 1 7.7700 . . 1 . . . A 481 LEU H . 17862 1 175 . 1 1 16 16 LEU HA H 1 4.0000 . . 1 . . . A 481 LEU HA . 17862 1 176 . 1 1 16 16 LEU HB2 H 1 0.9500 . . 2 . . . A 481 LEU HB2 . 17862 1 177 . 1 1 16 16 LEU HB3 H 1 1.5200 . . 2 . . . A 481 LEU HB3 . 17862 1 178 . 1 1 16 16 LEU HG H 1 1.4900 . . 1 . . . A 481 LEU HG . 17862 1 179 . 1 1 16 16 LEU HD11 H 1 0.3000 . . 2 . . . A 481 LEU HD11 . 17862 1 180 . 1 1 16 16 LEU HD12 H 1 0.3000 . . 2 . . . A 481 LEU HD12 . 17862 1 181 . 1 1 16 16 LEU HD13 H 1 0.3000 . . 2 . . . A 481 LEU HD13 . 17862 1 182 . 1 1 16 16 LEU HD21 H 1 0.6800 . . 2 . . . A 481 LEU HD21 . 17862 1 183 . 1 1 16 16 LEU HD22 H 1 0.6800 . . 2 . . . A 481 LEU HD22 . 17862 1 184 . 1 1 16 16 LEU HD23 H 1 0.6800 . . 2 . . . A 481 LEU HD23 . 17862 1 185 . 1 1 16 16 LEU C C 13 175.8900 . . 1 . . . A 481 LEU C . 17862 1 186 . 1 1 16 16 LEU CA C 13 54.6300 . . 1 . . . A 481 LEU CA . 17862 1 187 . 1 1 16 16 LEU CB C 13 42.8800 . . 1 . . . A 481 LEU CB . 17862 1 188 . 1 1 16 16 LEU CG C 13 25.9700 . . 1 . . . A 481 LEU CG . 17862 1 189 . 1 1 16 16 LEU CD1 C 13 23.1400 . . 2 . . . A 481 LEU CD1 . 17862 1 190 . 1 1 16 16 LEU CD2 C 13 25.8300 . . 2 . . . A 481 LEU CD2 . 17862 1 191 . 1 1 16 16 LEU N N 15 115.0300 . . 1 . . . A 481 LEU N . 17862 1 192 . 1 1 17 17 ALA H H 1 7.1300 . . 1 . . . A 482 ALA H . 17862 1 193 . 1 1 17 17 ALA HA H 1 4.2600 . . 1 . . . A 482 ALA HA . 17862 1 194 . 1 1 17 17 ALA HB1 H 1 1.5200 . . 1 . . . A 482 ALA HB1 . 17862 1 195 . 1 1 17 17 ALA HB2 H 1 1.5200 . . 1 . . . A 482 ALA HB2 . 17862 1 196 . 1 1 17 17 ALA HB3 H 1 1.5200 . . 1 . . . A 482 ALA HB3 . 17862 1 197 . 1 1 17 17 ALA C C 13 176.5500 . . 1 . . . A 482 ALA C . 17862 1 198 . 1 1 17 17 ALA CA C 13 56.9700 . . 1 . . . A 482 ALA CA . 17862 1 199 . 1 1 17 17 ALA CB C 13 15.3900 . . 1 . . . A 482 ALA CB . 17862 1 200 . 1 1 17 17 ALA N N 15 122.1300 . . 1 . . . A 482 ALA N . 17862 1 201 . 1 1 18 18 PRO HA H 1 4.1300 . . 1 . . . A 483 PRO HA . 17862 1 202 . 1 1 18 18 PRO HB2 H 1 1.8500 . . 2 . . . A 483 PRO HB2 . 17862 1 203 . 1 1 18 18 PRO HB3 H 1 2.2400 . . 2 . . . A 483 PRO HB3 . 17862 1 204 . 1 1 18 18 PRO HG2 H 1 1.8900 . . 2 . . . A 483 PRO HG2 . 17862 1 205 . 1 1 18 18 PRO HG3 H 1 2.1200 . . 2 . . . A 483 PRO HG3 . 17862 1 206 . 1 1 18 18 PRO HD2 H 1 3.6100 . . 2 . . . A 483 PRO HD2 . 17862 1 207 . 1 1 18 18 PRO HD3 H 1 3.7800 . . 2 . . . A 483 PRO HD3 . 17862 1 208 . 1 1 18 18 PRO CA C 13 66.3300 . . 1 . . . A 483 PRO CA . 17862 1 209 . 1 1 18 18 PRO CB C 13 30.5000 . . 1 . . . A 483 PRO CB . 17862 1 210 . 1 1 18 18 PRO CG C 13 28.0000 . . 1 . . . A 483 PRO CG . 17862 1 211 . 1 1 18 18 PRO CD C 13 49.3100 . . 1 . . . A 483 PRO CD . 17862 1 212 . 1 1 19 19 TYR H H 1 8.3800 . . 1 . . . A 484 TYR H . 17862 1 213 . 1 1 19 19 TYR HA H 1 4.0700 . . 1 . . . A 484 TYR HA . 17862 1 214 . 1 1 19 19 TYR HB2 H 1 2.9100 . . 2 . . . A 484 TYR HB2 . 17862 1 215 . 1 1 19 19 TYR HB3 H 1 2.9800 . . 2 . . . A 484 TYR HB3 . 17862 1 216 . 1 1 19 19 TYR C C 13 177.3200 . . 1 . . . A 484 TYR C . 17862 1 217 . 1 1 19 19 TYR CA C 13 60.3200 . . 1 . . . A 484 TYR CA . 17862 1 218 . 1 1 19 19 TYR CB C 13 37.7300 . . 1 . . . A 484 TYR CB . 17862 1 219 . 1 1 19 19 TYR N N 15 119.8600 . . 1 . . . A 484 TYR N . 17862 1 220 . 1 1 20 20 HIS H H 1 8.4900 . . 1 . . . A 485 HIS H . 17862 1 221 . 1 1 20 20 HIS HA H 1 4.1060 . . 1 . . . A 485 HIS HA . 17862 1 222 . 1 1 20 20 HIS HB2 H 1 3.1000 . . 2 . . . A 485 HIS HB2 . 17862 1 223 . 1 1 20 20 HIS HB3 H 1 3.1500 . . 2 . . . A 485 HIS HB3 . 17862 1 224 . 1 1 20 20 HIS HD2 H 1 6.9600 . . 1 . . . A 485 HIS HD2 . 17862 1 225 . 1 1 20 20 HIS HE1 H 1 7.7800 . . 1 . . . A 485 HIS HE1 . 17862 1 226 . 1 1 20 20 HIS C C 13 176.2800 . . 1 . . . A 485 HIS C . 17862 1 227 . 1 1 20 20 HIS CA C 13 56.9700 . . 1 . . . A 485 HIS CA . 17862 1 228 . 1 1 20 20 HIS CB C 13 28.8600 . . 1 . . . A 485 HIS CB . 17862 1 229 . 1 1 20 20 HIS CD2 C 13 119.5000 . . 1 . . . A 485 HIS CD2 . 17862 1 230 . 1 1 20 20 HIS N N 15 118.2300 . . 1 . . . A 485 HIS N . 17862 1 231 . 1 1 21 21 LYS H H 1 7.7500 . . 1 . . . A 486 LYS H . 17862 1 232 . 1 1 21 21 LYS HA H 1 4.1700 . . 1 . . . A 486 LYS HA . 17862 1 233 . 1 1 21 21 LYS HB2 H 1 1.8800 . . 2 . . . A 486 LYS HB2 . 17862 1 234 . 1 1 21 21 LYS HB3 H 1 1.7400 . . 2 . . . A 486 LYS HB3 . 17862 1 235 . 1 1 21 21 LYS HG2 H 1 1.4600 . . 2 . . . A 486 LYS HG2 . 17862 1 236 . 1 1 21 21 LYS HG3 H 1 1.5100 . . 2 . . . A 486 LYS HG3 . 17862 1 237 . 1 1 21 21 LYS HD2 H 1 1.5600 . . 2 . . . A 486 LYS HD2 . 17862 1 238 . 1 1 21 21 LYS HD3 H 1 1.6000 . . 2 . . . A 486 LYS HD3 . 17862 1 239 . 1 1 21 21 LYS HE2 H 1 2.8900 . . 2 . . . A 486 LYS HE2 . 17862 1 240 . 1 1 21 21 LYS HE3 H 1 2.8900 . . 2 . . . A 486 LYS HE3 . 17862 1 241 . 1 1 21 21 LYS C C 13 176.1100 . . 1 . . . A 486 LYS C . 17862 1 242 . 1 1 21 21 LYS CA C 13 56.2700 . . 1 . . . A 486 LYS CA . 17862 1 243 . 1 1 21 21 LYS CB C 13 33.1900 . . 1 . . . A 486 LYS CB . 17862 1 244 . 1 1 21 21 LYS CG C 13 25.2100 . . 1 . . . A 486 LYS CG . 17862 1 245 . 1 1 21 21 LYS CD C 13 28.9500 . . 1 . . . A 486 LYS CD . 17862 1 246 . 1 1 21 21 LYS CE C 13 41.8900 . . 1 . . . A 486 LYS CE . 17862 1 247 . 1 1 21 21 LYS N N 15 117.2600 . . 1 . . . A 486 LYS N . 17862 1 248 . 1 1 22 22 ALA H H 1 7.3100 . . 1 . . . A 487 ALA H . 17862 1 249 . 1 1 22 22 ALA HA H 1 4.2100 . . 1 . . . A 487 ALA HA . 17862 1 250 . 1 1 22 22 ALA HB1 H 1 1.4300 . . 1 . . . A 487 ALA HB1 . 17862 1 251 . 1 1 22 22 ALA HB2 H 1 1.4300 . . 1 . . . A 487 ALA HB2 . 17862 1 252 . 1 1 22 22 ALA HB3 H 1 1.4300 . . 1 . . . A 487 ALA HB3 . 17862 1 253 . 1 1 22 22 ALA C C 13 178.0400 . . 1 . . . A 487 ALA C . 17862 1 254 . 1 1 22 22 ALA CA C 13 52.2900 . . 1 . . . A 487 ALA CA . 17862 1 255 . 1 1 22 22 ALA CB C 13 18.3100 . . 1 . . . A 487 ALA CB . 17862 1 256 . 1 1 22 22 ALA N N 15 123.6600 . . 1 . . . A 487 ALA N . 17862 1 257 . 1 1 23 23 LYS H H 1 8.9600 . . 1 . . . A 488 LYS H . 17862 1 258 . 1 1 23 23 LYS HA H 1 4.3300 . . 1 . . . A 488 LYS HA . 17862 1 259 . 1 1 23 23 LYS HB2 H 1 1.9700 . . 2 . . . A 488 LYS HB2 . 17862 1 260 . 1 1 23 23 LYS HB3 H 1 1.7800 . . 2 . . . A 488 LYS HB3 . 17862 1 261 . 1 1 23 23 LYS HG2 H 1 1.5500 . . 2 . . . A 488 LYS HG2 . 17862 1 262 . 1 1 23 23 LYS HG3 H 1 1.4400 . . 2 . . . A 488 LYS HG3 . 17862 1 263 . 1 1 23 23 LYS HD2 H 1 1.6100 . . 2 . . . A 488 LYS HD2 . 17862 1 264 . 1 1 23 23 LYS HD3 H 1 1.6100 . . 2 . . . A 488 LYS HD3 . 17862 1 265 . 1 1 23 23 LYS HE2 H 1 2.9600 . . 2 . . . A 488 LYS HE2 . 17862 1 266 . 1 1 23 23 LYS HE3 H 1 2.9600 . . 2 . . . A 488 LYS HE3 . 17862 1 267 . 1 1 23 23 LYS C C 13 176.7200 . . 1 . . . A 488 LYS C . 17862 1 268 . 1 1 23 23 LYS CA C 13 56.7100 . . 1 . . . A 488 LYS CA . 17862 1 269 . 1 1 23 23 LYS CB C 13 33.6500 . . 1 . . . A 488 LYS CB . 17862 1 270 . 1 1 23 23 LYS CG C 13 24.5700 . . 1 . . . A 488 LYS CG . 17862 1 271 . 1 1 23 23 LYS CD C 13 28.8900 . . 1 . . . A 488 LYS CD . 17862 1 272 . 1 1 23 23 LYS CE C 13 42.0200 . . 1 . . . A 488 LYS CE . 17862 1 273 . 1 1 23 23 LYS N N 15 122.3800 . . 1 . . . A 488 LYS N . 17862 1 274 . 1 1 24 24 THR H H 1 7.3000 . . 1 . . . A 489 THR H . 17862 1 275 . 1 1 24 24 THR HA H 1 4.6800 . . 1 . . . A 489 THR HA . 17862 1 276 . 1 1 24 24 THR HB H 1 4.6600 . . 1 . . . A 489 THR HB . 17862 1 277 . 1 1 24 24 THR HG21 H 1 1.2050 . . 1 . . . A 489 THR HG21 . 17862 1 278 . 1 1 24 24 THR HG22 H 1 1.2050 . . 1 . . . A 489 THR HG22 . 17862 1 279 . 1 1 24 24 THR HG23 H 1 1.2050 . . 1 . . . A 489 THR HG23 . 17862 1 280 . 1 1 24 24 THR C C 13 174.9600 . . 1 . . . A 489 THR C . 17862 1 281 . 1 1 24 24 THR CA C 13 58.1400 . . 1 . . . A 489 THR CA . 17862 1 282 . 1 1 24 24 THR CB C 13 71.0300 . . 1 . . . A 489 THR CB . 17862 1 283 . 1 1 24 24 THR CG2 C 13 21.6300 . . 1 . . . A 489 THR CG2 . 17862 1 284 . 1 1 24 24 THR N N 15 107.2000 . . 1 . . . A 489 THR N . 17862 1 285 . 1 1 25 25 LEU H H 1 9.0200 . . 1 . . . A 490 LEU H . 17862 1 286 . 1 1 25 25 LEU HA H 1 4.0900 . . 1 . . . A 490 LEU HA . 17862 1 287 . 1 1 25 25 LEU HB2 H 1 1.2800 . . 2 . . . A 490 LEU HB2 . 17862 1 288 . 1 1 25 25 LEU HB3 H 1 1.8000 . . 2 . . . A 490 LEU HB3 . 17862 1 289 . 1 1 25 25 LEU HG H 1 1.7200 . . 1 . . . A 490 LEU HG . 17862 1 290 . 1 1 25 25 LEU HD11 H 1 0.9000 . . 2 . . . A 490 LEU HD11 . 17862 1 291 . 1 1 25 25 LEU HD12 H 1 0.9000 . . 2 . . . A 490 LEU HD12 . 17862 1 292 . 1 1 25 25 LEU HD13 H 1 0.9000 . . 2 . . . A 490 LEU HD13 . 17862 1 293 . 1 1 25 25 LEU HD21 H 1 0.8700 . . 2 . . . A 490 LEU HD21 . 17862 1 294 . 1 1 25 25 LEU HD22 H 1 0.8700 . . 2 . . . A 490 LEU HD22 . 17862 1 295 . 1 1 25 25 LEU HD23 H 1 0.8700 . . 2 . . . A 490 LEU HD23 . 17862 1 296 . 1 1 25 25 LEU C C 13 178.8500 . . 1 . . . A 490 LEU C . 17862 1 297 . 1 1 25 25 LEU CA C 13 58.0000 . . 1 . . . A 490 LEU CA . 17862 1 298 . 1 1 25 25 LEU CB C 13 42.6800 . . 1 . . . A 490 LEU CB . 17862 1 299 . 1 1 25 25 LEU CG C 13 27.3400 . . 1 . . . A 490 LEU CG . 17862 1 300 . 1 1 25 25 LEU CD1 C 13 23.3800 . . 2 . . . A 490 LEU CD1 . 17862 1 301 . 1 1 25 25 LEU CD2 C 13 25.1200 . . 2 . . . A 490 LEU CD2 . 17862 1 302 . 1 1 25 25 LEU N N 15 124.2900 . . 1 . . . A 490 LEU N . 17862 1 303 . 1 1 26 26 GLU H H 1 9.2400 . . 1 . . . A 491 GLU H . 17862 1 304 . 1 1 26 26 GLU HA H 1 3.8400 . . 1 . . . A 491 GLU HA . 17862 1 305 . 1 1 26 26 GLU HB2 H 1 2.0400 . . 2 . . . A 491 GLU HB2 . 17862 1 306 . 1 1 26 26 GLU HB3 H 1 1.9300 . . 2 . . . A 491 GLU HB3 . 17862 1 307 . 1 1 26 26 GLU HG2 H 1 2.2900 . . 2 . . . A 491 GLU HG2 . 17862 1 308 . 1 1 26 26 GLU HG3 H 1 2.2900 . . 2 . . . A 491 GLU HG3 . 17862 1 309 . 1 1 26 26 GLU C C 13 179.2500 . . 1 . . . A 491 GLU C . 17862 1 310 . 1 1 26 26 GLU CA C 13 60.5500 . . 1 . . . A 491 GLU CA . 17862 1 311 . 1 1 26 26 GLU CB C 13 28.2900 . . 1 . . . A 491 GLU CB . 17862 1 312 . 1 1 26 26 GLU CG C 13 36.3700 . . 1 . . . A 491 GLU CG . 17862 1 313 . 1 1 26 26 GLU N N 15 118.1300 . . 1 . . . A 491 GLU N . 17862 1 314 . 1 1 27 27 ARG H H 1 7.7500 . . 1 . . . A 492 ARG H . 17862 1 315 . 1 1 27 27 ARG HA H 1 4.3200 . . 1 . . . A 492 ARG HA . 17862 1 316 . 1 1 27 27 ARG HB2 H 1 1.8800 . . 2 . . . A 492 ARG HB2 . 17862 1 317 . 1 1 27 27 ARG HB3 H 1 2.0250 . . 2 . . . A 492 ARG HB3 . 17862 1 318 . 1 1 27 27 ARG HG2 H 1 1.8400 . . 2 . . . A 492 ARG HG2 . 17862 1 319 . 1 1 27 27 ARG HG3 H 1 1.8400 . . 2 . . . A 492 ARG HG3 . 17862 1 320 . 1 1 27 27 ARG HD2 H 1 3.1300 . . 2 . . . A 492 ARG HD2 . 17862 1 321 . 1 1 27 27 ARG HD3 H 1 3.2000 . . 2 . . . A 492 ARG HD3 . 17862 1 322 . 1 1 27 27 ARG HE H 1 7.6300 . . 1 . . . A 492 ARG HE . 17862 1 323 . 1 1 27 27 ARG C C 13 178.4400 . . 1 . . . A 492 ARG C . 17862 1 324 . 1 1 27 27 ARG CA C 13 56.6800 . . 1 . . . A 492 ARG CA . 17862 1 325 . 1 1 27 27 ARG CB C 13 29.4600 . . 1 . . . A 492 ARG CB . 17862 1 326 . 1 1 27 27 ARG CG C 13 25.9800 . . 1 . . . A 492 ARG CG . 17862 1 327 . 1 1 27 27 ARG CD C 13 42.3200 . . 1 . . . A 492 ARG CD . 17862 1 328 . 1 1 27 27 ARG N N 15 119.6300 . . 1 . . . A 492 ARG N . 17862 1 329 . 1 1 28 28 GLN H H 1 8.6400 . . 1 . . . A 493 GLN H . 17862 1 330 . 1 1 28 28 GLN HA H 1 3.8800 . . 1 . . . A 493 GLN HA . 17862 1 331 . 1 1 28 28 GLN HB2 H 1 2.5800 . . 2 . . . A 493 GLN HB2 . 17862 1 332 . 1 1 28 28 GLN HB3 H 1 2.2200 . . 2 . . . A 493 GLN HB3 . 17862 1 333 . 1 1 28 28 GLN HG2 H 1 2.2700 . . 2 . . . A 493 GLN HG2 . 17862 1 334 . 1 1 28 28 GLN HG3 H 1 2.4900 . . 2 . . . A 493 GLN HG3 . 17862 1 335 . 1 1 28 28 GLN HE21 H 1 6.5700 . . 2 . . . A 493 GLN HE21 . 17862 1 336 . 1 1 28 28 GLN HE22 H 1 6.8700 . . 2 . . . A 493 GLN HE22 . 17862 1 337 . 1 1 28 28 GLN C C 13 178.4600 . . 1 . . . A 493 GLN C . 17862 1 338 . 1 1 28 28 GLN CA C 13 60.4900 . . 1 . . . A 493 GLN CA . 17862 1 339 . 1 1 28 28 GLN CB C 13 28.2800 . . 1 . . . A 493 GLN CB . 17862 1 340 . 1 1 28 28 GLN CG C 13 34.7200 . . 1 . . . A 493 GLN CG . 17862 1 341 . 1 1 28 28 GLN N N 15 121.2500 . . 1 . . . A 493 GLN N . 17862 1 342 . 1 1 28 28 GLN NE2 N 15 109.4700 . . 1 . . . A 493 GLN NE2 . 17862 1 343 . 1 1 29 29 VAL H H 1 8.4700 . . 1 . . . A 494 VAL H . 17862 1 344 . 1 1 29 29 VAL HA H 1 3.4050 . . 1 . . . A 494 VAL HA . 17862 1 345 . 1 1 29 29 VAL HB H 1 2.1350 . . 1 . . . A 494 VAL HB . 17862 1 346 . 1 1 29 29 VAL HG11 H 1 0.8700 . . 2 . . . A 494 VAL HG11 . 17862 1 347 . 1 1 29 29 VAL HG12 H 1 0.8700 . . 2 . . . A 494 VAL HG12 . 17862 1 348 . 1 1 29 29 VAL HG13 H 1 0.8700 . . 2 . . . A 494 VAL HG13 . 17862 1 349 . 1 1 29 29 VAL HG21 H 1 1.0000 . . 2 . . . A 494 VAL HG21 . 17862 1 350 . 1 1 29 29 VAL HG22 H 1 1.0000 . . 2 . . . A 494 VAL HG22 . 17862 1 351 . 1 1 29 29 VAL HG23 H 1 1.0000 . . 2 . . . A 494 VAL HG23 . 17862 1 352 . 1 1 29 29 VAL C C 13 176.5800 . . 1 . . . A 494 VAL C . 17862 1 353 . 1 1 29 29 VAL CA C 13 67.5100 . . 1 . . . A 494 VAL CA . 17862 1 354 . 1 1 29 29 VAL CB C 13 31.2000 . . 1 . . . A 494 VAL CB . 17862 1 355 . 1 1 29 29 VAL CG1 C 13 21.6000 . . 2 . . . A 494 VAL CG1 . 17862 1 356 . 1 1 29 29 VAL CG2 C 13 24.4800 . . 2 . . . A 494 VAL CG2 . 17862 1 357 . 1 1 29 29 VAL N N 15 118.6600 . . 1 . . . A 494 VAL N . 17862 1 358 . 1 1 30 30 TYR H H 1 7.5500 . . 1 . . . A 495 TYR H . 17862 1 359 . 1 1 30 30 TYR HA H 1 4.2200 . . 1 . . . A 495 TYR HA . 17862 1 360 . 1 1 30 30 TYR HB2 H 1 3.1850 . . 2 . . . A 495 TYR HB2 . 17862 1 361 . 1 1 30 30 TYR HB3 H 1 3.1850 . . 2 . . . A 495 TYR HB3 . 17862 1 362 . 1 1 30 30 TYR HD1 H 1 7.0100 . . 3 . . . A 495 TYR HD1 . 17862 1 363 . 1 1 30 30 TYR HD2 H 1 7.0100 . . 3 . . . A 495 TYR HD2 . 17862 1 364 . 1 1 30 30 TYR HE1 H 1 6.7600 . . 3 . . . A 495 TYR HE1 . 17862 1 365 . 1 1 30 30 TYR HE2 H 1 6.7600 . . 3 . . . A 495 TYR HE2 . 17862 1 366 . 1 1 30 30 TYR C C 13 178.2300 . . 1 . . . A 495 TYR C . 17862 1 367 . 1 1 30 30 TYR CA C 13 61.0800 . . 1 . . . A 495 TYR CA . 17862 1 368 . 1 1 30 30 TYR CB C 13 37.6600 . . 1 . . . A 495 TYR CB . 17862 1 369 . 1 1 30 30 TYR CD1 C 13 133.0900 . . 3 . . . A 495 TYR CD1 . 17862 1 370 . 1 1 30 30 TYR CD2 C 13 133.0900 . . 3 . . . A 495 TYR CD2 . 17862 1 371 . 1 1 30 30 TYR CE1 C 13 118.0400 . . 3 . . . A 495 TYR CE1 . 17862 1 372 . 1 1 30 30 TYR CE2 C 13 118.0400 . . 3 . . . A 495 TYR CE2 . 17862 1 373 . 1 1 30 30 TYR N N 15 119.3600 . . 1 . . . A 495 TYR N . 17862 1 374 . 1 1 31 31 GLU H H 1 8.7300 . . 1 . . . A 496 GLU H . 17862 1 375 . 1 1 31 31 GLU HA H 1 4.3400 . . 1 . . . A 496 GLU HA . 17862 1 376 . 1 1 31 31 GLU HB2 H 1 2.0200 . . 2 . . . A 496 GLU HB2 . 17862 1 377 . 1 1 31 31 GLU HB3 H 1 2.0200 . . 2 . . . A 496 GLU HB3 . 17862 1 378 . 1 1 31 31 GLU C C 13 181.2000 . . 1 . . . A 496 GLU C . 17862 1 379 . 1 1 31 31 GLU CA C 13 56.5500 . . 1 . . . A 496 GLU CA . 17862 1 380 . 1 1 31 31 GLU CB C 13 28.2800 . . 1 . . . A 496 GLU CB . 17862 1 381 . 1 1 31 31 GLU CG C 13 34.1800 . . 1 . . . A 496 GLU CG . 17862 1 382 . 1 1 31 31 GLU N N 15 115.7500 . . 1 . . . A 496 GLU N . 17862 1 383 . 1 1 32 32 LEU H H 1 8.8100 . . 1 . . . A 497 LEU H . 17862 1 384 . 1 1 32 32 LEU HA H 1 3.9100 . . 1 . . . A 497 LEU HA . 17862 1 385 . 1 1 32 32 LEU HB2 H 1 2.1700 . . 2 . . . A 497 LEU HB2 . 17862 1 386 . 1 1 32 32 LEU HB3 H 1 1.0600 . . 2 . . . A 497 LEU HB3 . 17862 1 387 . 1 1 32 32 LEU HG H 1 1.5700 . . 1 . . . A 497 LEU HG . 17862 1 388 . 1 1 32 32 LEU HD11 H 1 0.6600 . . 2 . . . A 497 LEU HD11 . 17862 1 389 . 1 1 32 32 LEU HD12 H 1 0.6600 . . 2 . . . A 497 LEU HD12 . 17862 1 390 . 1 1 32 32 LEU HD13 H 1 0.6600 . . 2 . . . A 497 LEU HD13 . 17862 1 391 . 1 1 32 32 LEU HD21 H 1 0.2700 . . 2 . . . A 497 LEU HD21 . 17862 1 392 . 1 1 32 32 LEU HD22 H 1 0.2700 . . 2 . . . A 497 LEU HD22 . 17862 1 393 . 1 1 32 32 LEU HD23 H 1 0.2700 . . 2 . . . A 497 LEU HD23 . 17862 1 394 . 1 1 32 32 LEU C C 13 180.0200 . . 1 . . . A 497 LEU C . 17862 1 395 . 1 1 32 32 LEU CA C 13 57.5600 . . 1 . . . A 497 LEU CA . 17862 1 396 . 1 1 32 32 LEU CB C 13 43.2300 . . 1 . . . A 497 LEU CB . 17862 1 397 . 1 1 32 32 LEU CG C 13 27.4800 . . 1 . . . A 497 LEU CG . 17862 1 398 . 1 1 32 32 LEU CD1 C 13 25.3100 . . 2 . . . A 497 LEU CD1 . 17862 1 399 . 1 1 32 32 LEU CD2 C 13 22.6800 . . 2 . . . A 497 LEU CD2 . 17862 1 400 . 1 1 32 32 LEU N N 15 121.9600 . . 1 . . . A 497 LEU N . 17862 1 401 . 1 1 33 33 GLU H H 1 8.8000 . . 1 . . . A 498 GLU H . 17862 1 402 . 1 1 33 33 GLU HA H 1 3.8550 . . 1 . . . A 498 GLU HA . 17862 1 403 . 1 1 33 33 GLU HB2 H 1 1.8500 . . 2 . . . A 498 GLU HB2 . 17862 1 404 . 1 1 33 33 GLU HB3 H 1 2.2450 . . 2 . . . A 498 GLU HB3 . 17862 1 405 . 1 1 33 33 GLU HG2 H 1 2.0750 . . 2 . . . A 498 GLU HG2 . 17862 1 406 . 1 1 33 33 GLU HG3 H 1 2.5000 . . 2 . . . A 498 GLU HG3 . 17862 1 407 . 1 1 33 33 GLU C C 13 179.9300 . . 1 . . . A 498 GLU C . 17862 1 408 . 1 1 33 33 GLU CA C 13 59.9000 . . 1 . . . A 498 GLU CA . 17862 1 409 . 1 1 33 33 GLU CB C 13 28.8600 . . 1 . . . A 498 GLU CB . 17862 1 410 . 1 1 33 33 GLU CG C 13 37.6100 . . 1 . . . A 498 GLU CG . 17862 1 411 . 1 1 33 33 GLU N N 15 122.8400 . . 1 . . . A 498 GLU N . 17862 1 412 . 1 1 34 34 LYS H H 1 7.4700 . . 1 . . . A 499 LYS H . 17862 1 413 . 1 1 34 34 LYS HA H 1 3.9350 . . 1 . . . A 499 LYS HA . 17862 1 414 . 1 1 34 34 LYS HB2 H 1 1.6800 . . 2 . . . A 499 LYS HB2 . 17862 1 415 . 1 1 34 34 LYS HB3 H 1 1.7100 . . 2 . . . A 499 LYS HB3 . 17862 1 416 . 1 1 34 34 LYS HG2 H 1 1.1600 . . 2 . . . A 499 LYS HG2 . 17862 1 417 . 1 1 34 34 LYS HG3 H 1 1.2300 . . 2 . . . A 499 LYS HG3 . 17862 1 418 . 1 1 34 34 LYS HD2 H 1 1.4100 . . 2 . . . A 499 LYS HD2 . 17862 1 419 . 1 1 34 34 LYS HD3 H 1 1.4100 . . 2 . . . A 499 LYS HD3 . 17862 1 420 . 1 1 34 34 LYS HE2 H 1 2.6500 . . 2 . . . A 499 LYS HE2 . 17862 1 421 . 1 1 34 34 LYS HE3 H 1 2.7800 . . 2 . . . A 499 LYS HE3 . 17862 1 422 . 1 1 34 34 LYS C C 13 178.9000 . . 1 . . . A 499 LYS C . 17862 1 423 . 1 1 34 34 LYS CA C 13 58.2000 . . 1 . . . A 499 LYS CA . 17862 1 424 . 1 1 34 34 LYS CB C 13 32.0000 . . 1 . . . A 499 LYS CB . 17862 1 425 . 1 1 34 34 LYS CG C 13 24.1400 . . 1 . . . A 499 LYS CG . 17862 1 426 . 1 1 34 34 LYS CD C 13 28.3200 . . 1 . . . A 499 LYS CD . 17862 1 427 . 1 1 34 34 LYS CE C 13 41.5200 . . 1 . . . A 499 LYS CE . 17862 1 428 . 1 1 34 34 LYS N N 15 118.5600 . . 1 . . . A 499 LYS N . 17862 1 429 . 1 1 35 35 LEU H H 1 7.6000 . . 1 . . . A 500 LEU H . 17862 1 430 . 1 1 35 35 LEU HA H 1 3.8900 . . 1 . . . A 500 LEU HA . 17862 1 431 . 1 1 35 35 LEU HB2 H 1 1.7400 . . 2 . . . A 500 LEU HB2 . 17862 1 432 . 1 1 35 35 LEU HB3 H 1 1.2800 . . 2 . . . A 500 LEU HB3 . 17862 1 433 . 1 1 35 35 LEU HG H 1 1.5900 . . 1 . . . A 500 LEU HG . 17862 1 434 . 1 1 35 35 LEU HD11 H 1 0.5300 . . 2 . . . A 500 LEU HD11 . 17862 1 435 . 1 1 35 35 LEU HD12 H 1 0.5300 . . 2 . . . A 500 LEU HD12 . 17862 1 436 . 1 1 35 35 LEU HD13 H 1 0.5300 . . 2 . . . A 500 LEU HD13 . 17862 1 437 . 1 1 35 35 LEU HD21 H 1 0.5400 . . 2 . . . A 500 LEU HD21 . 17862 1 438 . 1 1 35 35 LEU HD22 H 1 0.5400 . . 2 . . . A 500 LEU HD22 . 17862 1 439 . 1 1 35 35 LEU HD23 H 1 0.5400 . . 2 . . . A 500 LEU HD23 . 17862 1 440 . 1 1 35 35 LEU C C 13 178.3700 . . 1 . . . A 500 LEU C . 17862 1 441 . 1 1 35 35 LEU CA C 13 56.3300 . . 1 . . . A 500 LEU CA . 17862 1 442 . 1 1 35 35 LEU CB C 13 42.0400 . . 1 . . . A 500 LEU CB . 17862 1 443 . 1 1 35 35 LEU CG C 13 26.0000 . . 1 . . . A 500 LEU CG . 17862 1 444 . 1 1 35 35 LEU CD1 C 13 23.7600 . . 2 . . . A 500 LEU CD1 . 17862 1 445 . 1 1 35 35 LEU CD2 C 13 24.7300 . . 2 . . . A 500 LEU CD2 . 17862 1 446 . 1 1 35 35 LEU N N 15 117.5700 . . 1 . . . A 500 LEU N . 17862 1 447 . 1 1 36 36 GLN H H 1 7.1300 . . 1 . . . A 501 GLN H . 17862 1 448 . 1 1 36 36 GLN HA H 1 3.6900 . . 1 . . . A 501 GLN HA . 17862 1 449 . 1 1 36 36 GLN HB2 H 1 2.1500 . . 2 . . . A 501 GLN HB2 . 17862 1 450 . 1 1 36 36 GLN HB3 H 1 2.1000 . . 2 . . . A 501 GLN HB3 . 17862 1 451 . 1 1 36 36 GLN HG2 H 1 2.3500 . . 2 . . . A 501 GLN HG2 . 17862 1 452 . 1 1 36 36 GLN HG3 H 1 2.6500 . . 2 . . . A 501 GLN HG3 . 17862 1 453 . 1 1 36 36 GLN HE21 H 1 6.4750 . . 2 . . . A 501 GLN HE21 . 17862 1 454 . 1 1 36 36 GLN HE22 H 1 7.6800 . . 2 . . . A 501 GLN HE22 . 17862 1 455 . 1 1 36 36 GLN C C 13 176.9400 . . 1 . . . A 501 GLN C . 17862 1 456 . 1 1 36 36 GLN CA C 13 58.4300 . . 1 . . . A 501 GLN CA . 17862 1 457 . 1 1 36 36 GLN CB C 13 28.2800 . . 1 . . . A 501 GLN CB . 17862 1 458 . 1 1 36 36 GLN CG C 13 33.6100 . . 1 . . . A 501 GLN CG . 17862 1 459 . 1 1 36 36 GLN N N 15 115.0100 . . 1 . . . A 501 GLN N . 17862 1 460 . 1 1 36 36 GLN NE2 N 15 111.7500 . . 1 . . . A 501 GLN NE2 . 17862 1 461 . 1 1 37 37 GLU H H 1 7.6700 . . 1 . . . A 502 GLU H . 17862 1 462 . 1 1 37 37 GLU HA H 1 4.2400 . . 1 . . . A 502 GLU HA . 17862 1 463 . 1 1 37 37 GLU HB2 H 1 2.1000 . . 2 . . . A 502 GLU HB2 . 17862 1 464 . 1 1 37 37 GLU HB3 H 1 1.9900 . . 2 . . . A 502 GLU HB3 . 17862 1 465 . 1 1 37 37 GLU HG2 H 1 2.2200 . . 2 . . . A 502 GLU HG2 . 17862 1 466 . 1 1 37 37 GLU HG3 H 1 2.2200 . . 2 . . . A 502 GLU HG3 . 17862 1 467 . 1 1 37 37 GLU C C 13 177.0400 . . 1 . . . A 502 GLU C . 17862 1 468 . 1 1 37 37 GLU CA C 13 56.4000 . . 1 . . . A 502 GLU CA . 17862 1 469 . 1 1 37 37 GLU CB C 13 29.4500 . . 1 . . . A 502 GLU CB . 17862 1 470 . 1 1 37 37 GLU CG C 13 36.1100 . . 1 . . . A 502 GLU CG . 17862 1 471 . 1 1 37 37 GLU N N 15 113.1100 . . 1 . . . A 502 GLU N . 17862 1 472 . 1 1 38 38 LYS H H 1 7.3800 . . 1 . . . A 503 LYS H . 17862 1 473 . 1 1 38 38 LYS HA H 1 4.3400 . . 1 . . . A 503 LYS HA . 17862 1 474 . 1 1 38 38 LYS HB2 H 1 1.8700 . . 2 . . . A 503 LYS HB2 . 17862 1 475 . 1 1 38 38 LYS HB3 H 1 1.5800 . . 2 . . . A 503 LYS HB3 . 17862 1 476 . 1 1 38 38 LYS HG2 H 1 1.4450 . . 2 . . . A 503 LYS HG2 . 17862 1 477 . 1 1 38 38 LYS HG3 H 1 1.3500 . . 2 . . . A 503 LYS HG3 . 17862 1 478 . 1 1 38 38 LYS HD2 H 1 1.6000 . . 2 . . . A 503 LYS HD2 . 17862 1 479 . 1 1 38 38 LYS HD3 H 1 1.6000 . . 2 . . . A 503 LYS HD3 . 17862 1 480 . 1 1 38 38 LYS HE2 H 1 2.8900 . . 2 . . . A 503 LYS HE2 . 17862 1 481 . 1 1 38 38 LYS HE3 H 1 2.8900 . . 2 . . . A 503 LYS HE3 . 17862 1 482 . 1 1 38 38 LYS C C 13 176.5000 . . 1 . . . A 503 LYS C . 17862 1 483 . 1 1 38 38 LYS CA C 13 55.8000 . . 1 . . . A 503 LYS CA . 17862 1 484 . 1 1 38 38 LYS CB C 13 34.7200 . . 1 . . . A 503 LYS CB . 17862 1 485 . 1 1 38 38 LYS CG C 13 24.7000 . . 1 . . . A 503 LYS CG . 17862 1 486 . 1 1 38 38 LYS CD C 13 28.7000 . . 1 . . . A 503 LYS CD . 17862 1 487 . 1 1 38 38 LYS CE C 13 41.7900 . . 1 . . . A 503 LYS CE . 17862 1 488 . 1 1 38 38 LYS N N 15 116.2600 . . 1 . . . A 503 LYS N . 17862 1 489 . 1 1 39 39 LEU H H 1 7.3300 . . 1 . . . A 504 LEU H . 17862 1 490 . 1 1 39 39 LEU HA H 1 4.0900 . . 1 . . . A 504 LEU HA . 17862 1 491 . 1 1 39 39 LEU HB2 H 1 1.2800 . . 2 . . . A 504 LEU HB2 . 17862 1 492 . 1 1 39 39 LEU HB3 H 1 1.4600 . . 2 . . . A 504 LEU HB3 . 17862 1 493 . 1 1 39 39 LEU HG H 1 1.5900 . . 1 . . . A 504 LEU HG . 17862 1 494 . 1 1 39 39 LEU HD11 H 1 0.5100 . . 2 . . . A 504 LEU HD11 . 17862 1 495 . 1 1 39 39 LEU HD12 H 1 0.5100 . . 2 . . . A 504 LEU HD12 . 17862 1 496 . 1 1 39 39 LEU HD13 H 1 0.5100 . . 2 . . . A 504 LEU HD13 . 17862 1 497 . 1 1 39 39 LEU HD21 H 1 0.3800 . . 2 . . . A 504 LEU HD21 . 17862 1 498 . 1 1 39 39 LEU HD22 H 1 0.3800 . . 2 . . . A 504 LEU HD22 . 17862 1 499 . 1 1 39 39 LEU HD23 H 1 0.3800 . . 2 . . . A 504 LEU HD23 . 17862 1 500 . 1 1 39 39 LEU C C 13 174.4300 . . 1 . . . A 504 LEU C . 17862 1 501 . 1 1 39 39 LEU CA C 13 53.4600 . . 1 . . . A 504 LEU CA . 17862 1 502 . 1 1 39 39 LEU CB C 13 42.6900 . . 1 . . . A 504 LEU CB . 17862 1 503 . 1 1 39 39 LEU CG C 13 26.1600 . . 1 . . . A 504 LEU CG . 17862 1 504 . 1 1 39 39 LEU CD1 C 13 27.5100 . . 2 . . . A 504 LEU CD1 . 17862 1 505 . 1 1 39 39 LEU CD2 C 13 22.9300 . . 2 . . . A 504 LEU CD2 . 17862 1 506 . 1 1 39 39 LEU N N 15 119.3300 . . 1 . . . A 504 LEU N . 17862 1 507 . 1 1 40 40 PRO HA H 1 4.5000 . . 1 . . . A 505 PRO HA . 17862 1 508 . 1 1 40 40 PRO HB2 H 1 1.8650 . . 2 . . . A 505 PRO HB2 . 17862 1 509 . 1 1 40 40 PRO HB3 H 1 2.5250 . . 2 . . . A 505 PRO HB3 . 17862 1 510 . 1 1 40 40 PRO HG2 H 1 2.1000 . . 2 . . . A 505 PRO HG2 . 17862 1 511 . 1 1 40 40 PRO HG3 H 1 2.1000 . . 2 . . . A 505 PRO HG3 . 17862 1 512 . 1 1 40 40 PRO HD2 H 1 3.3500 . . 2 . . . A 505 PRO HD2 . 17862 1 513 . 1 1 40 40 PRO HD3 H 1 3.8150 . . 2 . . . A 505 PRO HD3 . 17862 1 514 . 1 1 40 40 PRO C C 13 177.1500 . . 1 . . . A 505 PRO C . 17862 1 515 . 1 1 40 40 PRO CA C 13 62.0900 . . 1 . . . A 505 PRO CA . 17862 1 516 . 1 1 40 40 PRO CB C 13 31.7000 . . 1 . . . A 505 PRO CB . 17862 1 517 . 1 1 40 40 PRO CG C 13 27.5000 . . 1 . . . A 505 PRO CG . 17862 1 518 . 1 1 40 40 PRO CD C 13 50.1900 . . 1 . . . A 505 PRO CD . 17862 1 519 . 1 1 41 41 GLU H H 1 8.6800 . . 1 . . . A 506 GLU H . 17862 1 520 . 1 1 41 41 GLU HA H 1 3.7060 . . 1 . . . A 506 GLU HA . 17862 1 521 . 1 1 41 41 GLU HB2 H 1 1.9560 . . 2 . . . A 506 GLU HB2 . 17862 1 522 . 1 1 41 41 GLU HB3 H 1 2.0660 . . 2 . . . A 506 GLU HB3 . 17862 1 523 . 1 1 41 41 GLU HG2 H 1 2.2800 . . 2 . . . A 506 GLU HG2 . 17862 1 524 . 1 1 41 41 GLU HG3 H 1 2.3000 . . 2 . . . A 506 GLU HG3 . 17862 1 525 . 1 1 41 41 GLU C C 13 178.3600 . . 1 . . . A 506 GLU C . 17862 1 526 . 1 1 41 41 GLU CA C 13 59.9000 . . 1 . . . A 506 GLU CA . 17862 1 527 . 1 1 41 41 GLU CB C 13 28.8700 . . 1 . . . A 506 GLU CB . 17862 1 528 . 1 1 41 41 GLU CG C 13 35.0400 . . 1 . . . A 506 GLU CG . 17862 1 529 . 1 1 41 41 GLU N N 15 123.4200 . . 1 . . . A 506 GLU N . 17862 1 530 . 1 1 42 42 LYS H H 1 8.5400 . . 1 . . . A 507 LYS H . 17862 1 531 . 1 1 42 42 LYS HA H 1 4.0300 . . 1 . . . A 507 LYS HA . 17862 1 532 . 1 1 42 42 LYS HB2 H 1 1.6850 . . 2 . . . A 507 LYS HB2 . 17862 1 533 . 1 1 42 42 LYS HB3 H 1 1.3200 . . 2 . . . A 507 LYS HB3 . 17862 1 534 . 1 1 42 42 LYS HG3 H 1 0.7400 . . 2 . . . A 507 LYS HG3 . 17862 1 535 . 1 1 42 42 LYS HD2 H 1 1.4050 . . 2 . . . A 507 LYS HD2 . 17862 1 536 . 1 1 42 42 LYS HD3 H 1 1.405 . . 2 . . . A 507 LYS HD3 . 17862 1 537 . 1 1 42 42 LYS HE2 H 1 2.7100 . . 2 . . . A 507 LYS HE2 . 17862 1 538 . 1 1 42 42 LYS HE3 H 1 2.7100 . . 2 . . . A 507 LYS HE3 . 17862 1 539 . 1 1 42 42 LYS C C 13 176.5500 . . 1 . . . A 507 LYS C . 17862 1 540 . 1 1 42 42 LYS CA C 13 58.1400 . . 1 . . . A 507 LYS CA . 17862 1 541 . 1 1 42 42 LYS CB C 13 31.2100 . . 1 . . . A 507 LYS CB . 17862 1 542 . 1 1 42 42 LYS CG C 13 23.3000 . . 1 . . . A 507 LYS CG . 17862 1 543 . 1 1 42 42 LYS CD C 13 29.0100 . . 1 . . . A 507 LYS CD . 17862 1 544 . 1 1 42 42 LYS CE C 13 41.4100 . . 1 . . . A 507 LYS CE . 17862 1 545 . 1 1 42 42 LYS N N 15 115.6600 . . 1 . . . A 507 LYS N . 17862 1 546 . 1 1 43 43 TYR H H 1 7.6500 . . 1 . . . A 508 TYR H . 17862 1 547 . 1 1 43 43 TYR HA H 1 4.9300 . . 1 . . . A 508 TYR HA . 17862 1 548 . 1 1 43 43 TYR HB2 H 1 2.4800 . . 2 . . . A 508 TYR HB2 . 17862 1 549 . 1 1 43 43 TYR HB3 H 1 3.5300 . . 2 . . . A 508 TYR HB3 . 17862 1 550 . 1 1 43 43 TYR HD1 H 1 7.0700 . . 3 . . . A 508 TYR HD1 . 17862 1 551 . 1 1 43 43 TYR HD2 H 1 7.0700 . . 3 . . . A 508 TYR HD2 . 17862 1 552 . 1 1 43 43 TYR HE1 H 1 6.8300 . . 3 . . . A 508 TYR HE1 . 17862 1 553 . 1 1 43 43 TYR HE2 H 1 6.8300 . . 3 . . . A 508 TYR HE2 . 17862 1 554 . 1 1 43 43 TYR C C 13 175.8200 . . 1 . . . A 508 TYR C . 17862 1 555 . 1 1 43 43 TYR CA C 13 58.0600 . . 1 . . . A 508 TYR CA . 17862 1 556 . 1 1 43 43 TYR CB C 13 40.5800 . . 1 . . . A 508 TYR CB . 17862 1 557 . 1 1 43 43 TYR CD1 C 13 132.2200 . . 3 . . . A 508 TYR CD1 . 17862 1 558 . 1 1 43 43 TYR CD2 C 13 132.2200 . . 3 . . . A 508 TYR CD2 . 17862 1 559 . 1 1 43 43 TYR CE1 C 13 118.4300 . . 3 . . . A 508 TYR CE1 . 17862 1 560 . 1 1 43 43 TYR CE2 C 13 118.4300 . . 3 . . . A 508 TYR CE2 . 17862 1 561 . 1 1 43 43 TYR N N 15 115.7700 . . 1 . . . A 508 TYR N . 17862 1 562 . 1 1 44 44 LYS H H 1 7.5600 . . 1 . . . A 509 LYS H . 17862 1 563 . 1 1 44 44 LYS HA H 1 3.7950 . . 1 . . . A 509 LYS HA . 17862 1 564 . 1 1 44 44 LYS HB2 H 1 1.8100 . . 2 . . . A 509 LYS HB2 . 17862 1 565 . 1 1 44 44 LYS HB3 H 1 1.9100 . . 2 . . . A 509 LYS HB3 . 17862 1 566 . 1 1 44 44 LYS HG2 H 1 1.2400 . . 2 . . . A 509 LYS HG2 . 17862 1 567 . 1 1 44 44 LYS HG3 H 1 1.5800 . . 2 . . . A 509 LYS HG3 . 17862 1 568 . 1 1 44 44 LYS C C 13 179.1900 . . 1 . . . A 509 LYS C . 17862 1 569 . 1 1 44 44 LYS CA C 13 61.0800 . . 1 . . . A 509 LYS CA . 17862 1 570 . 1 1 44 44 LYS CB C 13 32.5600 . . 1 . . . A 509 LYS CB . 17862 1 571 . 1 1 44 44 LYS CG C 13 26.5200 . . 1 . . . A 509 LYS CG . 17862 1 572 . 1 1 44 44 LYS CD C 13 29.4200 . . 1 . . . A 509 LYS CD . 17862 1 573 . 1 1 44 44 LYS CE C 13 41.7900 . . 1 . . . A 509 LYS CE . 17862 1 574 . 1 1 44 44 LYS N N 15 119.7600 . . 1 . . . A 509 LYS N . 17862 1 575 . 1 1 45 45 ALA H H 1 8.9000 . . 1 . . . A 510 ALA H . 17862 1 576 . 1 1 45 45 ALA HA H 1 4.1000 . . 1 . . . A 510 ALA HA . 17862 1 577 . 1 1 45 45 ALA HB1 H 1 1.4000 . . 1 . . . A 510 ALA HB1 . 17862 1 578 . 1 1 45 45 ALA HB2 H 1 1.4000 . . 1 . . . A 510 ALA HB2 . 17862 1 579 . 1 1 45 45 ALA HB3 H 1 1.4000 . . 1 . . . A 510 ALA HB3 . 17862 1 580 . 1 1 45 45 ALA C C 13 180.9500 . . 1 . . . A 510 ALA C . 17862 1 581 . 1 1 45 45 ALA CA C 13 55.8000 . . 1 . . . A 510 ALA CA . 17862 1 582 . 1 1 45 45 ALA CB C 13 17.1400 . . 1 . . . A 510 ALA CB . 17862 1 583 . 1 1 45 45 ALA N N 15 121.8400 . . 1 . . . A 510 ALA N . 17862 1 584 . 1 1 46 46 GLU H H 1 8.5900 . . 1 . . . A 511 GLU H . 17862 1 585 . 1 1 46 46 GLU HA H 1 3.9500 . . 1 . . . A 511 GLU HA . 17862 1 586 . 1 1 46 46 GLU HB2 H 1 1.9400 . . 2 . . . A 511 GLU HB2 . 17862 1 587 . 1 1 46 46 GLU HB3 H 1 2.1200 . . 2 . . . A 511 GLU HB3 . 17862 1 588 . 1 1 46 46 GLU HG2 H 1 1.7550 . . 2 . . . A 511 GLU HG2 . 17862 1 589 . 1 1 46 46 GLU C C 13 179.0900 . . 1 . . . A 511 GLU C . 17862 1 590 . 1 1 46 46 GLU CA C 13 58.4400 . . 1 . . . A 511 GLU CA . 17862 1 591 . 1 1 46 46 GLU CB C 13 28.2800 . . 1 . . . A 511 GLU CB . 17862 1 592 . 1 1 46 46 GLU CG C 13 35.1400 . . 1 . . . A 511 GLU CG . 17862 1 593 . 1 1 46 46 GLU N N 15 120.3500 . . 1 . . . A 511 GLU N . 17862 1 594 . 1 1 47 47 TYR H H 1 7.5800 . . 1 . . . A 512 TYR H . 17862 1 595 . 1 1 47 47 TYR HA H 1 3.9250 . . 1 . . . A 512 TYR HA . 17862 1 596 . 1 1 47 47 TYR HB2 H 1 2.5700 . . 2 . . . A 512 TYR HB2 . 17862 1 597 . 1 1 47 47 TYR HB3 H 1 2.8200 . . 2 . . . A 512 TYR HB3 . 17862 1 598 . 1 1 47 47 TYR HD1 H 1 7.0800 . . 3 . . . A 512 TYR HD1 . 17862 1 599 . 1 1 47 47 TYR HD2 H 1 7.0800 . . 3 . . . A 512 TYR HD2 . 17862 1 600 . 1 1 47 47 TYR HE1 H 1 6.5700 . . 3 . . . A 512 TYR HE1 . 17862 1 601 . 1 1 47 47 TYR HE2 H 1 6.5700 . . 3 . . . A 512 TYR HE2 . 17862 1 602 . 1 1 47 47 TYR C C 13 178.2200 . . 1 . . . A 512 TYR C . 17862 1 603 . 1 1 47 47 TYR CA C 13 62.2400 . . 1 . . . A 512 TYR CA . 17862 1 604 . 1 1 47 47 TYR CB C 13 37.6500 . . 1 . . . A 512 TYR CB . 17862 1 605 . 1 1 47 47 TYR CD1 C 13 131.7900 . . 3 . . . A 512 TYR CD1 . 17862 1 606 . 1 1 47 47 TYR CD2 C 13 131.7900 . . 3 . . . A 512 TYR CD2 . 17862 1 607 . 1 1 47 47 TYR CE1 C 13 117.4800 . . 3 . . . A 512 TYR CE1 . 17862 1 608 . 1 1 47 47 TYR CE2 C 13 117.4800 . . 3 . . . A 512 TYR CE2 . 17862 1 609 . 1 1 47 47 TYR N N 15 117.0800 . . 1 . . . A 512 TYR N . 17862 1 610 . 1 1 48 48 LYS H H 1 8.6900 . . 1 . . . A 513 LYS H . 17862 1 611 . 1 1 48 48 LYS HA H 1 4.1000 . . 1 . . . A 513 LYS HA . 17862 1 612 . 1 1 48 48 LYS HB2 H 1 1.9600 . . 2 . . . A 513 LYS HB2 . 17862 1 613 . 1 1 48 48 LYS HB3 H 1 2.0100 . . 2 . . . A 513 LYS HB3 . 17862 1 614 . 1 1 48 48 LYS HG2 H 1 1.4100 . . 2 . . . A 513 LYS HG2 . 17862 1 615 . 1 1 48 48 LYS HG3 H 1 1.4100 . . 2 . . . A 513 LYS HG3 . 17862 1 616 . 1 1 48 48 LYS HD2 H 1 1.5100 . . 2 . . . A 513 LYS HD2 . 17862 1 617 . 1 1 48 48 LYS HD3 H 1 1.7700 . . 2 . . . A 513 LYS HD3 . 17862 1 618 . 1 1 48 48 LYS HE2 H 1 2.9400 . . 2 . . . A 513 LYS HE2 . 17862 1 619 . 1 1 48 48 LYS HE3 H 1 2.9800 . . 2 . . . A 513 LYS HE3 . 17862 1 620 . 1 1 48 48 LYS C C 13 177.7600 . . 1 . . . A 513 LYS C . 17862 1 621 . 1 1 48 48 LYS CA C 13 58.7300 . . 1 . . . A 513 LYS CA . 17862 1 622 . 1 1 48 48 LYS CB C 13 31.2000 . . 1 . . . A 513 LYS CB . 17862 1 623 . 1 1 48 48 LYS CG C 13 25.1000 . . 1 . . . A 513 LYS CG . 17862 1 624 . 1 1 48 48 LYS CD C 13 28.2000 . . 1 . . . A 513 LYS CD . 17862 1 625 . 1 1 48 48 LYS CE C 13 41.9000 . . 1 . . . A 513 LYS CE . 17862 1 626 . 1 1 48 48 LYS N N 15 128.2600 . . 1 . . . A 513 LYS N . 17862 1 627 . 1 1 49 49 LYS H H 1 7.6000 . . 1 . . . A 514 LYS H . 17862 1 628 . 1 1 49 49 LYS HA H 1 4.1100 . . 1 . . . A 514 LYS HA . 17862 1 629 . 1 1 49 49 LYS HB2 H 1 1.8400 . . 2 . . . A 514 LYS HB2 . 17862 1 630 . 1 1 49 49 LYS HB3 H 1 1.8700 . . 2 . . . A 514 LYS HB3 . 17862 1 631 . 1 1 49 49 LYS HG2 H 1 1.3500 . . 2 . . . A 514 LYS HG2 . 17862 1 632 . 1 1 49 49 LYS HG3 H 1 1.5200 . . 2 . . . A 514 LYS HG3 . 17862 1 633 . 1 1 49 49 LYS HD2 H 1 1.6500 . . 2 . . . A 514 LYS HD2 . 17862 1 634 . 1 1 49 49 LYS HD3 H 1 1.6500 . . 2 . . . A 514 LYS HD3 . 17862 1 635 . 1 1 49 49 LYS HE2 H 1 2.8900 . . 2 . . . A 514 LYS HE2 . 17862 1 636 . 1 1 49 49 LYS HE3 H 1 2.8900 . . 2 . . . A 514 LYS HE3 . 17862 1 637 . 1 1 49 49 LYS C C 13 179.1900 . . 1 . . . A 514 LYS C . 17862 1 638 . 1 1 49 49 LYS CA C 13 59.3000 . . 1 . . . A 514 LYS CA . 17862 1 639 . 1 1 49 49 LYS CB C 13 31.1800 . . 1 . . . A 514 LYS CB . 17862 1 640 . 1 1 49 49 LYS CG C 13 24.8600 . . 1 . . . A 514 LYS CG . 17862 1 641 . 1 1 49 49 LYS CD C 13 29.1500 . . 1 . . . A 514 LYS CD . 17862 1 642 . 1 1 49 49 LYS CE C 13 41.7900 . . 1 . . . A 514 LYS CE . 17862 1 643 . 1 1 49 49 LYS N N 15 120.0300 . . 1 . . . A 514 LYS N . 17862 1 644 . 1 1 50 50 LYS H H 1 7.4100 . . 1 . . . A 515 LYS H . 17862 1 645 . 1 1 50 50 LYS HA H 1 4.0900 . . 1 . . . A 515 LYS HA . 17862 1 646 . 1 1 50 50 LYS HB2 H 1 1.6800 . . 2 . . . A 515 LYS HB2 . 17862 1 647 . 1 1 50 50 LYS HB3 H 1 1.7200 . . 2 . . . A 515 LYS HB3 . 17862 1 648 . 1 1 50 50 LYS HG2 H 1 1.3200 . . 2 . . . A 515 LYS HG2 . 17862 1 649 . 1 1 50 50 LYS HG3 H 1 1.3700 . . 2 . . . A 515 LYS HG3 . 17862 1 650 . 1 1 50 50 LYS HD2 H 1 1.3100 . . 2 . . . A 515 LYS HD2 . 17862 1 651 . 1 1 50 50 LYS HD3 H 1 1.5100 . . 2 . . . A 515 LYS HD3 . 17862 1 652 . 1 1 50 50 LYS HE2 H 1 2.6900 . . 2 . . . A 515 LYS HE2 . 17862 1 653 . 1 1 50 50 LYS HE3 H 1 2.8100 . . 2 . . . A 515 LYS HE3 . 17862 1 654 . 1 1 50 50 LYS C C 13 179.5900 . . 1 . . . A 515 LYS C . 17862 1 655 . 1 1 50 50 LYS CA C 13 58.7300 . . 1 . . . A 515 LYS CA . 17862 1 656 . 1 1 50 50 LYS CB C 13 31.5700 . . 1 . . . A 515 LYS CB . 17862 1 657 . 1 1 50 50 LYS CG C 13 24.7500 . . 1 . . . A 515 LYS CG . 17862 1 658 . 1 1 50 50 LYS CD C 13 28.3800 . . 1 . . . A 515 LYS CD . 17862 1 659 . 1 1 50 50 LYS CE C 13 41.2800 . . 1 . . . A 515 LYS CE . 17862 1 660 . 1 1 50 50 LYS N N 15 117.5200 . . 1 . . . A 515 LYS N . 17862 1 661 . 1 1 51 51 LEU H H 1 8.0400 . . 1 . . . A 516 LEU H . 17862 1 662 . 1 1 51 51 LEU HA H 1 4.0300 . . 1 . . . A 516 LEU HA . 17862 1 663 . 1 1 51 51 LEU HB2 H 1 1.3300 . . 2 . . . A 516 LEU HB2 . 17862 1 664 . 1 1 51 51 LEU HB3 H 1 1.3300 . . 2 . . . A 516 LEU HB3 . 17862 1 665 . 1 1 51 51 LEU HG H 1 1.5600 . . 1 . . . A 516 LEU HG . 17862 1 666 . 1 1 51 51 LEU HD11 H 1 0.8300 . . 2 . . . A 516 LEU HD11 . 17862 1 667 . 1 1 51 51 LEU HD12 H 1 0.8300 . . 2 . . . A 516 LEU HD12 . 17862 1 668 . 1 1 51 51 LEU HD13 H 1 0.8300 . . 2 . . . A 516 LEU HD13 . 17862 1 669 . 1 1 51 51 LEU HD21 H 1 0.9800 . . 2 . . . A 516 LEU HD21 . 17862 1 670 . 1 1 51 51 LEU HD22 H 1 0.9800 . . 2 . . . A 516 LEU HD22 . 17862 1 671 . 1 1 51 51 LEU HD23 H 1 0.9800 . . 2 . . . A 516 LEU HD23 . 17862 1 672 . 1 1 51 51 LEU C C 13 176.7700 . . 1 . . . A 516 LEU C . 17862 1 673 . 1 1 51 51 LEU CA C 13 58.4000 . . 1 . . . A 516 LEU CA . 17862 1 674 . 1 1 51 51 LEU CB C 13 40.7100 . . 1 . . . A 516 LEU CB . 17862 1 675 . 1 1 51 51 LEU CG C 13 26.7000 . . 1 . . . A 516 LEU CG . 17862 1 676 . 1 1 51 51 LEU CD1 C 13 26.3400 . . 2 . . . A 516 LEU CD1 . 17862 1 677 . 1 1 51 51 LEU CD2 C 13 23.7200 . . 2 . . . A 516 LEU CD2 . 17862 1 678 . 1 1 51 51 LEU N N 15 124.7600 . . 1 . . . A 516 LEU N . 17862 1 679 . 1 1 52 52 ASP H H 1 8.5500 . . 1 . . . A 517 ASP H . 17862 1 680 . 1 1 52 52 ASP HA H 1 4.2550 . . 1 . . . A 517 ASP HA . 17862 1 681 . 1 1 52 52 ASP HB2 H 1 2.8000 . . 2 . . . A 517 ASP HB2 . 17862 1 682 . 1 1 52 52 ASP HB3 H 1 2.6500 . . 2 . . . A 517 ASP HB3 . 17862 1 683 . 1 1 52 52 ASP C C 13 179.2700 . . 1 . . . A 517 ASP C . 17862 1 684 . 1 1 52 52 ASP CA C 13 57.5700 . . 1 . . . A 517 ASP CA . 17862 1 685 . 1 1 52 52 ASP CB C 13 39.4100 . . 1 . . . A 517 ASP CB . 17862 1 686 . 1 1 52 52 ASP N N 15 120.9300 . . 1 . . . A 517 ASP N . 17862 1 687 . 1 1 53 53 GLN H H 1 8.2800 . . 1 . . . A 518 GLN H . 17862 1 688 . 1 1 53 53 GLN HA H 1 4.0400 . . 1 . . . A 518 GLN HA . 17862 1 689 . 1 1 53 53 GLN HB2 H 1 2.1900 . . 2 . . . A 518 GLN HB2 . 17862 1 690 . 1 1 53 53 GLN HB3 H 1 2.0400 . . 2 . . . A 518 GLN HB3 . 17862 1 691 . 1 1 53 53 GLN HG2 H 1 2.4900 . . 2 . . . A 518 GLN HG2 . 17862 1 692 . 1 1 53 53 GLN HG3 H 1 2.3700 . . 2 . . . A 518 GLN HG3 . 17862 1 693 . 1 1 53 53 GLN HE21 H 1 6.7900 . . 2 . . . A 518 GLN HE21 . 17862 1 694 . 1 1 53 53 GLN HE22 H 1 7.6400 . . 2 . . . A 518 GLN HE22 . 17862 1 695 . 1 1 53 53 GLN C C 13 178.6100 . . 1 . . . A 518 GLN C . 17862 1 696 . 1 1 53 53 GLN CA C 13 58.1500 . . 1 . . . A 518 GLN CA . 17862 1 697 . 1 1 53 53 GLN CB C 13 27.7000 . . 1 . . . A 518 GLN CB . 17862 1 698 . 1 1 53 53 GLN CG C 13 33.4800 . . 1 . . . A 518 GLN CG . 17862 1 699 . 1 1 53 53 GLN N N 15 118.4100 . . 1 . . . A 518 GLN N . 17862 1 700 . 1 1 53 53 GLN NE2 N 15 112.0000 . . 1 . . . A 518 GLN NE2 . 17862 1 701 . 1 1 54 54 THR H H 1 8.3600 . . 1 . . . A 519 THR H . 17862 1 702 . 1 1 54 54 THR HA H 1 4.0300 . . 1 . . . A 519 THR HA . 17862 1 703 . 1 1 54 54 THR HB H 1 4.1300 . . 1 . . . A 519 THR HB . 17862 1 704 . 1 1 54 54 THR HG21 H 1 1.3300 . . 1 . . . A 519 THR HG21 . 17862 1 705 . 1 1 54 54 THR HG22 H 1 1.3300 . . 1 . . . A 519 THR HG22 . 17862 1 706 . 1 1 54 54 THR HG23 H 1 1.3300 . . 1 . . . A 519 THR HG23 . 17862 1 707 . 1 1 54 54 THR C C 13 175.9300 . . 1 . . . A 519 THR C . 17862 1 708 . 1 1 54 54 THR CA C 13 66.3400 . . 1 . . . A 519 THR CA . 17862 1 709 . 1 1 54 54 THR CB C 13 68.1000 . . 1 . . . A 519 THR CB . 17862 1 710 . 1 1 54 54 THR CG2 C 13 22.5200 . . 1 . . . A 519 THR CG2 . 17862 1 711 . 1 1 54 54 THR N N 15 117.7700 . . 1 . . . A 519 THR N . 17862 1 712 . 1 1 55 55 ARG H H 1 8.5800 . . 1 . . . A 520 ARG H . 17862 1 713 . 1 1 55 55 ARG HA H 1 3.8500 . . 1 . . . A 520 ARG HA . 17862 1 714 . 1 1 55 55 ARG HB2 H 1 1.800 . . 2 . . . A 520 ARG HB2 . 17862 1 715 . 1 1 55 55 ARG HB3 H 1 2.0100 . . 2 . . . A 520 ARG HB3 . 17862 1 716 . 1 1 55 55 ARG HG2 H 1 1.6200 . . 2 . . . A 520 ARG HG2 . 17862 1 717 . 1 1 55 55 ARG HG3 H 1 1.9200 . . 2 . . . A 520 ARG HG3 . 17862 1 718 . 1 1 55 55 ARG HD2 H 1 3.1300 . . 2 . . . A 520 ARG HD2 . 17862 1 719 . 1 1 55 55 ARG HD3 H 1 3.1300 . . 2 . . . A 520 ARG HD3 . 17862 1 720 . 1 1 55 55 ARG HE H 1 7.100 . . 1 . . . A 520 ARG HE . 17862 1 721 . 1 1 55 55 ARG C C 13 179.5400 . . 1 . . . A 520 ARG C . 17862 1 722 . 1 1 55 55 ARG CA C 13 60.4900 . . 1 . . . A 520 ARG CA . 17862 1 723 . 1 1 55 55 ARG CB C 13 30.0300 . . 1 . . . A 520 ARG CB . 17862 1 724 . 1 1 55 55 ARG CG C 13 28.7000 . . 1 . . . A 520 ARG CG . 17862 1 725 . 1 1 55 55 ARG CD C 13 43.4000 . . 1 . . . A 520 ARG CD . 17862 1 726 . 1 1 55 55 ARG N N 15 121.2700 . . 1 . . . A 520 ARG N . 17862 1 727 . 1 1 56 56 VAL H H 1 7.4200 . . 1 . . . A 521 VAL H . 17862 1 728 . 1 1 56 56 VAL HA H 1 3.6700 . . 1 . . . A 521 VAL HA . 17862 1 729 . 1 1 56 56 VAL HB H 1 2.2000 . . 1 . . . A 521 VAL HB . 17862 1 730 . 1 1 56 56 VAL HG11 H 1 0.9200 . . 2 . . . A 521 VAL HG11 . 17862 1 731 . 1 1 56 56 VAL HG12 H 1 0.9200 . . 2 . . . A 521 VAL HG12 . 17862 1 732 . 1 1 56 56 VAL HG13 H 1 0.9200 . . 2 . . . A 521 VAL HG13 . 17862 1 733 . 1 1 56 56 VAL HG21 H 1 1.0450 . . 2 . . . A 521 VAL HG21 . 17862 1 734 . 1 1 56 56 VAL HG22 H 1 1.0450 . . 2 . . . A 521 VAL HG22 . 17862 1 735 . 1 1 56 56 VAL HG23 H 1 1.0450 . . 2 . . . A 521 VAL HG23 . 17862 1 736 . 1 1 56 56 VAL C C 13 177.6600 . . 1 . . . A 521 VAL C . 17862 1 737 . 1 1 56 56 VAL CA C 13 66.3400 . . 1 . . . A 521 VAL CA . 17862 1 738 . 1 1 56 56 VAL CB C 13 31.2000 . . 1 . . . A 521 VAL CB . 17862 1 739 . 1 1 56 56 VAL CG1 C 13 20.7700 . . 2 . . . A 521 VAL CG1 . 17862 1 740 . 1 1 56 56 VAL CG2 C 13 22.2700 . . 2 . . . A 521 VAL CG2 . 17862 1 741 . 1 1 56 56 VAL N N 15 121.0500 . . 1 . . . A 521 VAL N . 17862 1 742 . 1 1 57 57 GLU H H 1 7.6800 . . 1 . . . A 522 GLU H . 17862 1 743 . 1 1 57 57 GLU HA H 1 4.0400 . . 1 . . . A 522 GLU HA . 17862 1 744 . 1 1 57 57 GLU HB2 H 1 2.0700 . . 2 . . . A 522 GLU HB2 . 17862 1 745 . 1 1 57 57 GLU HB3 H 1 2.2200 . . 2 . . . A 522 GLU HB3 . 17862 1 746 . 1 1 57 57 GLU HG2 H 1 2.2400 . . 2 . . . A 522 GLU HG2 . 17862 1 747 . 1 1 57 57 GLU HG3 H 1 2.4700 . . 2 . . . A 522 GLU HG3 . 17862 1 748 . 1 1 57 57 GLU C C 13 179.6800 . . 1 . . . A 522 GLU C . 17862 1 749 . 1 1 57 57 GLU CA C 13 59.3200 . . 1 . . . A 522 GLU CA . 17862 1 750 . 1 1 57 57 GLU CB C 13 28.8600 . . 1 . . . A 522 GLU CB . 17862 1 751 . 1 1 57 57 GLU CG C 13 36.4800 . . 1 . . . A 522 GLU CG . 17862 1 752 . 1 1 57 57 GLU N N 15 120.4900 . . 1 . . . A 522 GLU N . 17862 1 753 . 1 1 58 58 LEU H H 1 8.4400 . . 1 . . . A 523 LEU H . 17862 1 754 . 1 1 58 58 LEU HA H 1 4.0500 . . 1 . . . A 523 LEU HA . 17862 1 755 . 1 1 58 58 LEU HB2 H 1 1.3900 . . 2 . . . A 523 LEU HB2 . 17862 1 756 . 1 1 58 58 LEU HB3 H 1 1.9600 . . 2 . . . A 523 LEU HB3 . 17862 1 757 . 1 1 58 58 LEU HG H 1 1.6100 . . 1 . . . A 523 LEU HG . 17862 1 758 . 1 1 58 58 LEU HD11 H 1 0.8950 . . 2 . . . A 523 LEU HD11 . 17862 1 759 . 1 1 58 58 LEU HD12 H 1 0.8950 . . 2 . . . A 523 LEU HD12 . 17862 1 760 . 1 1 58 58 LEU HD13 H 1 0.8950 . . 2 . . . A 523 LEU HD13 . 17862 1 761 . 1 1 58 58 LEU HD21 H 1 0.9100 . . 2 . . . A 523 LEU HD21 . 17862 1 762 . 1 1 58 58 LEU HD22 H 1 0.9100 . . 2 . . . A 523 LEU HD22 . 17862 1 763 . 1 1 58 58 LEU HD23 H 1 0.9100 . . 2 . . . A 523 LEU HD23 . 17862 1 764 . 1 1 58 58 LEU C C 13 177.8000 . . 1 . . . A 523 LEU C . 17862 1 765 . 1 1 58 58 LEU CA C 13 57.5000 . . 1 . . . A 523 LEU CA . 17862 1 766 . 1 1 58 58 LEU CB C 13 41.7600 . . 1 . . . A 523 LEU CB . 17862 1 767 . 1 1 58 58 LEU CG C 13 26.700 . . 1 . . . A 523 LEU CG . 17862 1 768 . 1 1 58 58 LEU CD1 C 13 23.7600 . . 2 . . . A 523 LEU CD1 . 17862 1 769 . 1 1 58 58 LEU CD2 C 13 26.5800 . . 2 . . . A 523 LEU CD2 . 17862 1 770 . 1 1 58 58 LEU N N 15 120.9100 . . 1 . . . A 523 LEU N . 17862 1 771 . 1 1 59 59 ALA H H 1 7.9500 . . 1 . . . A 524 ALA H . 17862 1 772 . 1 1 59 59 ALA HA H 1 4.1000 . . 1 . . . A 524 ALA HA . 17862 1 773 . 1 1 59 59 ALA HB1 H 1 1.4850 . . 1 . . . A 524 ALA HB1 . 17862 1 774 . 1 1 59 59 ALA HB2 H 1 1.4850 . . 1 . . . A 524 ALA HB2 . 17862 1 775 . 1 1 59 59 ALA HB3 H 1 1.4850 . . 1 . . . A 524 ALA HB3 . 17862 1 776 . 1 1 59 59 ALA C C 13 180.0200 . . 1 . . . A 524 ALA C . 17862 1 777 . 1 1 59 59 ALA CA C 13 54.3000 . . 1 . . . A 524 ALA CA . 17862 1 778 . 1 1 59 59 ALA CB C 13 17.3800 . . 1 . . . A 524 ALA CB . 17862 1 779 . 1 1 59 59 ALA N N 15 121.7100 . . 1 . . . A 524 ALA N . 17862 1 780 . 1 1 60 60 ASP H H 1 8.0400 . . 1 . . . A 525 ASP H . 17862 1 781 . 1 1 60 60 ASP HA H 1 4.5000 . . 1 . . . A 525 ASP HA . 17862 1 782 . 1 1 60 60 ASP HB2 H 1 2.6800 . . 2 . . . A 525 ASP HB2 . 17862 1 783 . 1 1 60 60 ASP HB3 H 1 2.7100 . . 2 . . . A 525 ASP HB3 . 17862 1 784 . 1 1 60 60 ASP C C 13 177.7300 . . 1 . . . A 525 ASP C . 17862 1 785 . 1 1 60 60 ASP CA C 13 55.8000 . . 1 . . . A 525 ASP CA . 17862 1 786 . 1 1 60 60 ASP CB C 13 40.2800 . . 1 . . . A 525 ASP CB . 17862 1 787 . 1 1 60 60 ASP N N 15 118.0800 . . 1 . . . A 525 ASP N . 17862 1 788 . 1 1 61 61 GLN H H 1 7.8700 . . 1 . . . A 526 GLN H . 17862 1 789 . 1 1 61 61 GLN HA H 1 4.1250 . . 1 . . . A 526 GLN HA . 17862 1 790 . 1 1 61 61 GLN HB2 H 1 2.3100 . . 2 . . . A 526 GLN HB2 . 17862 1 791 . 1 1 61 61 GLN HB3 H 1 2.1300 . . 2 . . . A 526 GLN HB3 . 17862 1 792 . 1 1 61 61 GLN HG2 H 1 2.3200 . . 2 . . . A 526 GLN HG2 . 17862 1 793 . 1 1 61 61 GLN HG3 H 1 2.4400 . . 2 . . . A 526 GLN HG3 . 17862 1 794 . 1 1 61 61 GLN HE21 H 1 6.9100 . . 2 . . . A 526 GLN HE21 . 17862 1 795 . 1 1 61 61 GLN HE22 H 1 7.5700 . . 2 . . . A 526 GLN HE22 . 17862 1 796 . 1 1 61 61 GLN C C 13 177.6900 . . 1 . . . A 526 GLN C . 17862 1 797 . 1 1 61 61 GLN CA C 13 57.5600 . . 1 . . . A 526 GLN CA . 17862 1 798 . 1 1 61 61 GLN CB C 13 28.8600 . . 1 . . . A 526 GLN CB . 17862 1 799 . 1 1 61 61 GLN CG C 13 34.3200 . . 1 . . . A 526 GLN CG . 17862 1 800 . 1 1 61 61 GLN N N 15 120.8600 . . 1 . . . A 526 GLN N . 17862 1 801 . 1 1 61 61 GLN NE2 N 15 112.3900 . . 1 . . . A 526 GLN NE2 . 17862 1 802 . 1 1 62 62 VAL H H 1 8.1800 . . 1 . . . A 527 VAL H . 17862 1 803 . 1 1 62 62 VAL HA H 1 3.9200 . . 1 . . . A 527 VAL HA . 17862 1 804 . 1 1 62 62 VAL HB H 1 2.1360 . . 1 . . . A 527 VAL HB . 17862 1 805 . 1 1 62 62 VAL HG11 H 1 1.0000 . . 2 . . . A 527 VAL HG11 . 17862 1 806 . 1 1 62 62 VAL HG12 H 1 1.0000 . . 2 . . . A 527 VAL HG12 . 17862 1 807 . 1 1 62 62 VAL HG13 H 1 1.0000 . . 2 . . . A 527 VAL HG13 . 17862 1 808 . 1 1 62 62 VAL HG21 H 1 0.9200 . . 2 . . . A 527 VAL HG21 . 17862 1 809 . 1 1 62 62 VAL HG22 H 1 0.9200 . . 2 . . . A 527 VAL HG22 . 17862 1 810 . 1 1 62 62 VAL HG23 H 1 0.9200 . . 2 . . . A 527 VAL HG23 . 17862 1 811 . 1 1 62 62 VAL C C 13 177.3100 . . 1 . . . A 527 VAL C . 17862 1 812 . 1 1 62 62 VAL CA C 13 63.7400 . . 1 . . . A 527 VAL CA . 17862 1 813 . 1 1 62 62 VAL CB C 13 31.5500 . . 1 . . . A 527 VAL CB . 17862 1 814 . 1 1 62 62 VAL CG1 C 13 21.1100 . . 2 . . . A 527 VAL CG1 . 17862 1 815 . 1 1 62 62 VAL CG2 C 13 21.1100 . . 2 . . . A 527 VAL CG2 . 17862 1 816 . 1 1 62 62 VAL N N 15 119.8900 . . 1 . . . A 527 VAL N . 17862 1 817 . 1 1 63 63 LYS H H 1 7.9900 . . 1 . . . A 528 LYS H . 17862 1 818 . 1 1 63 63 LYS HA H 1 4.2250 . . 1 . . . A 528 LYS HA . 17862 1 819 . 1 1 63 63 LYS HB2 H 1 1.8550 . . 2 . . . A 528 LYS HB2 . 17862 1 820 . 1 1 63 63 LYS HB3 H 1 1.8550 . . 2 . . . A 528 LYS HB3 . 17862 1 821 . 1 1 63 63 LYS HG2 H 1 1.4500 . . 2 . . . A 528 LYS HG2 . 17862 1 822 . 1 1 63 63 LYS HG3 H 1 1.4800 . . 2 . . . A 528 LYS HG3 . 17862 1 823 . 1 1 63 63 LYS HD2 H 1 1.6600 . . 2 . . . A 528 LYS HD2 . 17862 1 824 . 1 1 63 63 LYS HD3 H 1 1.6600 . . 2 . . . A 528 LYS HD3 . 17862 1 825 . 1 1 63 63 LYS HE2 H 1 2.9600 . . 2 . . . A 528 LYS HE2 . 17862 1 826 . 1 1 63 63 LYS HE3 H 1 2.9600 . . 2 . . . A 528 LYS HE3 . 17862 1 827 . 1 1 63 63 LYS C C 13 177.2600 . . 1 . . . A 528 LYS C . 17862 1 828 . 1 1 63 63 LYS CA C 13 56.9800 . . 1 . . . A 528 LYS CA . 17862 1 829 . 1 1 63 63 LYS CB C 13 32.3000 . . 1 . . . A 528 LYS CB . 17862 1 830 . 1 1 63 63 LYS CG C 13 24.7900 . . 1 . . . A 528 LYS CG . 17862 1 831 . 1 1 63 63 LYS CD C 13 28.8600 . . 1 . . . A 528 LYS CD . 17862 1 832 . 1 1 63 63 LYS CE C 13 41.7000 . . 1 . . . A 528 LYS CE . 17862 1 833 . 1 1 63 63 LYS N N 15 122.0700 . . 1 . . . A 528 LYS N . 17862 1 834 . 1 1 64 64 SER H H 1 8.0400 . . 1 . . . A 529 SER H . 17862 1 835 . 1 1 64 64 SER HA H 1 4.3650 . . 1 . . . A 529 SER HA . 17862 1 836 . 1 1 64 64 SER HB2 H 1 3.8600 . . 2 . . . A 529 SER HB2 . 17862 1 837 . 1 1 64 64 SER HB3 H 1 3.8900 . . 2 . . . A 529 SER HB3 . 17862 1 838 . 1 1 64 64 SER C C 13 174.2300 . . 1 . . . A 529 SER C . 17862 1 839 . 1 1 64 64 SER CA C 13 58.3900 . . 1 . . . A 529 SER CA . 17862 1 840 . 1 1 64 64 SER CB C 13 63.4200 . . 1 . . . A 529 SER CB . 17862 1 841 . 1 1 64 64 SER N N 15 115.6100 . . 1 . . . A 529 SER N . 17862 1 842 . 1 1 65 65 ALA H H 1 8.0300 . . 1 . . . A 530 ALA H . 17862 1 843 . 1 1 65 65 ALA HA H 1 4.3200 . . 1 . . . A 530 ALA HA . 17862 1 844 . 1 1 65 65 ALA HB1 H 1 1.3900 . . 1 . . . A 530 ALA HB1 . 17862 1 845 . 1 1 65 65 ALA HB2 H 1 1.3900 . . 1 . . . A 530 ALA HB2 . 17862 1 846 . 1 1 65 65 ALA HB3 H 1 1.3900 . . 1 . . . A 530 ALA HB3 . 17862 1 847 . 1 1 65 65 ALA C C 13 177.7000 . . 1 . . . A 530 ALA C . 17862 1 848 . 1 1 65 65 ALA CA C 13 52.2900 . . 1 . . . A 530 ALA CA . 17862 1 849 . 1 1 65 65 ALA CB C 13 18.5900 . . 1 . . . A 530 ALA CB . 17862 1 850 . 1 1 65 65 ALA N N 15 125.5200 . . 1 . . . A 530 ALA N . 17862 1 851 . 1 1 66 66 VAL H H 1 7.9700 . . 1 . . . A 531 VAL H . 17862 1 852 . 1 1 66 66 VAL HA H 1 4.1000 . . 1 . . . A 531 VAL HA . 17862 1 853 . 1 1 66 66 VAL HB H 1 2.0750 . . 1 . . . A 531 VAL HB . 17862 1 854 . 1 1 66 66 VAL HG11 H 1 0.8800 . . 2 . . . A 531 VAL HG11 . 17862 1 855 . 1 1 66 66 VAL HG12 H 1 0.8800 . . 2 . . . A 531 VAL HG12 . 17862 1 856 . 1 1 66 66 VAL HG13 H 1 0.8800 . . 2 . . . A 531 VAL HG13 . 17862 1 857 . 1 1 66 66 VAL HG21 H 1 0.9200 . . 2 . . . A 531 VAL HG21 . 17862 1 858 . 1 1 66 66 VAL HG22 H 1 0.9200 . . 2 . . . A 531 VAL HG22 . 17862 1 859 . 1 1 66 66 VAL HG23 H 1 0.9200 . . 2 . . . A 531 VAL HG23 . 17862 1 860 . 1 1 66 66 VAL C C 13 176.4400 . . 1 . . . A 531 VAL C . 17862 1 861 . 1 1 66 66 VAL CA C 13 62.2400 . . 1 . . . A 531 VAL CA . 17862 1 862 . 1 1 66 66 VAL CB C 13 32.2400 . . 1 . . . A 531 VAL CB . 17862 1 863 . 1 1 66 66 VAL CG1 C 13 21.0100 . . 2 . . . A 531 VAL CG1 . 17862 1 864 . 1 1 66 66 VAL CG2 C 13 20.0100 . . 2 . . . A 531 VAL CG2 . 17862 1 865 . 1 1 66 66 VAL N N 15 118.9500 . . 1 . . . A 531 VAL N . 17862 1 866 . 1 1 67 67 THR H H 1 8.1100 . . 1 . . . A 532 THR H . 17862 1 867 . 1 1 67 67 THR HA H 1 4.2700 . . 1 . . . A 532 THR HA . 17862 1 868 . 1 1 67 67 THR HB H 1 4.1200 . . 1 . . . A 532 THR HB . 17862 1 869 . 1 1 67 67 THR HG21 H 1 1.1100 . . 1 . . . A 532 THR HG21 . 17862 1 870 . 1 1 67 67 THR HG22 H 1 1.1100 . . 1 . . . A 532 THR HG22 . 17862 1 871 . 1 1 67 67 THR HG23 H 1 1.1100 . . 1 . . . A 532 THR HG23 . 17862 1 872 . 1 1 67 67 THR C C 13 174.3000 . . 1 . . . A 532 THR C . 17862 1 873 . 1 1 67 67 THR CA C 13 61.6600 . . 1 . . . A 532 THR CA . 17862 1 874 . 1 1 67 67 THR CB C 13 69.2700 . . 1 . . . A 532 THR CB . 17862 1 875 . 1 1 67 67 THR CG2 C 13 21.5000 . . 1 . . . A 532 THR CG2 . 17862 1 876 . 1 1 67 67 THR N N 15 117.6200 . . 1 . . . A 532 THR N . 17862 1 877 . 1 1 68 68 GLU H H 1 8.2400 . . 1 . . . A 533 GLU H . 17862 1 878 . 1 1 68 68 GLU HA H 1 4.1800 . . 1 . . . A 533 GLU HA . 17862 1 879 . 1 1 68 68 GLU HB2 H 1 1.8000 . . 2 . . . A 533 GLU HB2 . 17862 1 880 . 1 1 68 68 GLU HB3 H 1 1.8600 . . 2 . . . A 533 GLU HB3 . 17862 1 881 . 1 1 68 68 GLU HG2 H 1 2.0100 . . 2 . . . A 533 GLU HG2 . 17862 1 882 . 1 1 68 68 GLU HG3 H 1 2.0900 . . 2 . . . A 533 GLU HG3 . 17862 1 883 . 1 1 68 68 GLU C C 13 175.8500 . . 1 . . . A 533 GLU C . 17862 1 884 . 1 1 68 68 GLU CA C 13 56.2500 . . 1 . . . A 533 GLU CA . 17862 1 885 . 1 1 68 68 GLU CB C 13 29.8700 . . 1 . . . A 533 GLU CB . 17862 1 886 . 1 1 68 68 GLU CG C 13 35.5800 . . 1 . . . A 533 GLU CG . 17862 1 887 . 1 1 68 68 GLU N N 15 123.1500 . . 1 . . . A 533 GLU N . 17862 1 888 . 1 1 69 69 PHE H H 1 8.1200 . . 1 . . . A 534 PHE H . 17862 1 889 . 1 1 69 69 PHE HA H 1 4.5700 . . 1 . . . A 534 PHE HA . 17862 1 890 . 1 1 69 69 PHE HB2 H 1 2.9200 . . 2 . . . A 534 PHE HB2 . 17862 1 891 . 1 1 69 69 PHE HB3 H 1 3.1300 . . 2 . . . A 534 PHE HB3 . 17862 1 892 . 1 1 69 69 PHE HD1 H 1 7.2000 . . 3 . . . A 534 PHE HD1 . 17862 1 893 . 1 1 69 69 PHE HD2 H 1 7.2000 . . 3 . . . A 534 PHE HD2 . 17862 1 894 . 1 1 69 69 PHE HE1 H 1 7.2900 . . 3 . . . A 534 PHE HE1 . 17862 1 895 . 1 1 69 69 PHE HE2 H 1 7.2900 . . 3 . . . A 534 PHE HE2 . 17862 1 896 . 1 1 69 69 PHE C C 13 175.5000 . . 1 . . . A 534 PHE C . 17862 1 897 . 1 1 69 69 PHE CA C 13 57.3300 . . 1 . . . A 534 PHE CA . 17862 1 898 . 1 1 69 69 PHE CB C 13 39.1100 . . 1 . . . A 534 PHE CB . 17862 1 899 . 1 1 69 69 PHE CD1 C 13 131.4200 . . 3 . . . A 534 PHE CD1 . 17862 1 900 . 1 1 69 69 PHE CD2 C 13 131.4200 . . 3 . . . A 534 PHE CD2 . 17862 1 901 . 1 1 69 69 PHE CE1 C 13 131.7500 . . 3 . . . A 534 PHE CE1 . 17862 1 902 . 1 1 69 69 PHE CE2 C 13 131.7500 . . 3 . . . A 534 PHE CE2 . 17862 1 903 . 1 1 69 69 PHE N N 15 120.5300 . . 1 . . . A 534 PHE N . 17862 1 904 . 1 1 70 70 GLU H H 1 8.2400 . . 1 . . . A 535 GLU H . 17862 1 905 . 1 1 70 70 GLU HA H 1 4.1950 . . 1 . . . A 535 GLU HA . 17862 1 906 . 1 1 70 70 GLU HB2 H 1 1.8700 . . 2 . . . A 535 GLU HB2 . 17862 1 907 . 1 1 70 70 GLU HB3 H 1 1.9400 . . 2 . . . A 535 GLU HB3 . 17862 1 908 . 1 1 70 70 GLU HG2 H 1 2.1500 . . 2 . . . A 535 GLU HG2 . 17862 1 909 . 1 1 70 70 GLU HG3 H 1 2.1800 . . 2 . . . A 535 GLU HG3 . 17862 1 910 . 1 1 70 70 GLU C C 13 175.6900 . . 1 . . . A 535 GLU C . 17862 1 911 . 1 1 70 70 GLU CA C 13 56.1300 . . 1 . . . A 535 GLU CA . 17862 1 912 . 1 1 70 70 GLU CB C 13 30.0500 . . 1 . . . A 535 GLU CB . 17862 1 913 . 1 1 70 70 GLU CG C 13 36.1700 . . 1 . . . A 535 GLU CG . 17862 1 914 . 1 1 70 70 GLU N N 15 122.0600 . . 1 . . . A 535 GLU N . 17862 1 915 . 1 1 71 71 ASN H H 1 8.4000 . . 1 . . . A 536 ASN H . 17862 1 916 . 1 1 71 71 ASN HA H 1 4.6550 . . 1 . . . A 536 ASN HA . 17862 1 917 . 1 1 71 71 ASN HB2 H 1 2.6600 . . 2 . . . A 536 ASN HB2 . 17862 1 918 . 1 1 71 71 ASN HB3 H 1 2.7800 . . 2 . . . A 536 ASN HB3 . 17862 1 919 . 1 1 71 71 ASN HD21 H 1 6.8600 . . 2 . . . A 536 ASN HD21 . 17862 1 920 . 1 1 71 71 ASN HD22 H 1 7.5500 . . 2 . . . A 536 ASN HD22 . 17862 1 921 . 1 1 71 71 ASN C C 13 174.7700 . . 1 . . . A 536 ASN C . 17862 1 922 . 1 1 71 71 ASN CA C 13 52.8700 . . 1 . . . A 536 ASN CA . 17862 1 923 . 1 1 71 71 ASN CB C 13 38.3400 . . 1 . . . A 536 ASN CB . 17862 1 924 . 1 1 71 71 ASN N N 15 120.1600 . . 1 . . . A 536 ASN N . 17862 1 925 . 1 1 71 71 ASN ND2 N 15 113.0000 . . 1 . . . A 536 ASN ND2 . 17862 1 926 . 1 1 72 72 VAL H H 1 8.0500 . . 1 . . . A 537 VAL H . 17862 1 927 . 1 1 72 72 VAL HA H 1 4.1400 . . 1 . . . A 537 VAL HA . 17862 1 928 . 1 1 72 72 VAL HB H 1 2.0350 . . 1 . . . A 537 VAL HB . 17862 1 929 . 1 1 72 72 VAL HG11 H 1 0.8400 . . 2 . . . A 537 VAL HG11 . 17862 1 930 . 1 1 72 72 VAL HG12 H 1 0.8400 . . 2 . . . A 537 VAL HG12 . 17862 1 931 . 1 1 72 72 VAL HG13 H 1 0.8400 . . 2 . . . A 537 VAL HG13 . 17862 1 932 . 1 1 72 72 VAL HG21 H 1 0.8600 . . 2 . . . A 537 VAL HG21 . 17862 1 933 . 1 1 72 72 VAL HG22 H 1 0.8600 . . 2 . . . A 537 VAL HG22 . 17862 1 934 . 1 1 72 72 VAL HG23 H 1 0.8600 . . 2 . . . A 537 VAL HG23 . 17862 1 935 . 1 1 72 72 VAL C C 13 175.9300 . . 1 . . . A 537 VAL C . 17862 1 936 . 1 1 72 72 VAL CA C 13 61.6600 . . 1 . . . A 537 VAL CA . 17862 1 937 . 1 1 72 72 VAL CB C 13 32.3700 . . 1 . . . A 537 VAL CB . 17862 1 938 . 1 1 72 72 VAL CG1 C 13 21.2000 . . 2 . . . A 537 VAL CG1 . 17862 1 939 . 1 1 72 72 VAL CG2 C 13 20.4000 . . 2 . . . A 537 VAL CG2 . 17862 1 940 . 1 1 72 72 VAL N N 15 120.6600 . . 1 . . . A 537 VAL N . 17862 1 941 . 1 1 73 73 THR H H 1 8.2900 . . 1 . . . A 538 THR H . 17862 1 942 . 1 1 73 73 THR HA H 1 4.5350 . . 1 . . . A 538 THR HA . 17862 1 943 . 1 1 73 73 THR HB H 1 4.0650 . . 1 . . . A 538 THR HB . 17862 1 944 . 1 1 73 73 THR HG21 H 1 1.1900 . . 1 . . . A 538 THR HG21 . 17862 1 945 . 1 1 73 73 THR HG22 H 1 1.1900 . . 1 . . . A 538 THR HG22 . 17862 1 946 . 1 1 73 73 THR HG23 H 1 1.1900 . . 1 . . . A 538 THR HG23 . 17862 1 947 . 1 1 73 73 THR C C 13 172.6200 . . 1 . . . A 538 THR C . 17862 1 948 . 1 1 73 73 THR CA C 13 59.3200 . . 1 . . . A 538 THR CA . 17862 1 949 . 1 1 73 73 THR CB C 13 69.2800 . . 1 . . . A 538 THR CB . 17862 1 950 . 1 1 73 73 THR CG2 C 13 21.0300 . . 1 . . . A 538 THR CG2 . 17862 1 951 . 1 1 73 73 THR N N 15 121.5900 . . 1 . . . A 538 THR N . 17862 1 952 . 1 1 74 74 PRO HA H 1 4.4400 . . 1 . . . A 539 PRO HA . 17862 1 953 . 1 1 74 74 PRO HB2 H 1 1.8900 . . 2 . . . A 539 PRO HB2 . 17862 1 954 . 1 1 74 74 PRO HB3 H 1 2.2650 . . 2 . . . A 539 PRO HB3 . 17862 1 955 . 1 1 74 74 PRO HG2 H 1 1.9400 . . 2 . . . A 539 PRO HG2 . 17862 1 956 . 1 1 74 74 PRO HG3 H 1 2.0000 . . 2 . . . A 539 PRO HG3 . 17862 1 957 . 1 1 74 74 PRO HD2 H 1 3.6700 . . 2 . . . A 539 PRO HD2 . 17862 1 958 . 1 1 74 74 PRO HD3 H 1 3.8400 . . 2 . . . A 539 PRO HD3 . 17862 1 959 . 1 1 74 74 PRO C C 13 176.8700 . . 1 . . . A 539 PRO C . 17862 1 960 . 1 1 74 74 PRO CA C 13 62.8300 . . 1 . . . A 539 PRO CA . 17862 1 961 . 1 1 74 74 PRO CB C 13 31.7900 . . 1 . . . A 539 PRO CB . 17862 1 962 . 1 1 74 74 PRO CG C 13 26.9900 . . 1 . . . A 539 PRO CG . 17862 1 963 . 1 1 74 74 PRO CD C 13 50.7300 . . 1 . . . A 539 PRO CD . 17862 1 964 . 1 1 75 75 THR H H 1 8.2400 . . 1 . . . A 540 THR H . 17862 1 965 . 1 1 75 75 THR HA H 1 4.2700 . . 1 . . . A 540 THR HA . 17862 1 966 . 1 1 75 75 THR HB H 1 4.1800 . . 1 . . . A 540 THR HB . 17862 1 967 . 1 1 75 75 THR HG21 H 1 1.1550 . . 1 . . . A 540 THR HG21 . 17862 1 968 . 1 1 75 75 THR HG22 H 1 1.1550 . . 1 . . . A 540 THR HG22 . 17862 1 969 . 1 1 75 75 THR HG23 H 1 1.1550 . . 1 . . . A 540 THR HG23 . 17862 1 970 . 1 1 75 75 THR C C 13 174.2500 . . 1 . . . A 540 THR C . 17862 1 971 . 1 1 75 75 THR CA C 13 61.0900 . . 1 . . . A 540 THR CA . 17862 1 972 . 1 1 75 75 THR CB C 13 69.2800 . . 1 . . . A 540 THR CB . 17862 1 973 . 1 1 75 75 THR CG2 C 13 21.2400 . . 1 . . . A 540 THR CG2 . 17862 1 974 . 1 1 75 75 THR N N 15 114.5900 . . 1 . . . A 540 THR N . 17862 1 975 . 1 1 76 76 ASN H H 1 8.4200 . . 1 . . . A 541 ASN H . 17862 1 976 . 1 1 76 76 ASN HA H 1 4.7100 . . 1 . . . A 541 ASN HA . 17862 1 977 . 1 1 76 76 ASN HB2 H 1 2.7000 . . 2 . . . A 541 ASN HB2 . 17862 1 978 . 1 1 76 76 ASN HB3 H 1 2.8100 . . 2 . . . A 541 ASN HB3 . 17862 1 979 . 1 1 76 76 ASN HD21 H 1 6.8300 . . 2 . . . A 541 ASN HD21 . 17862 1 980 . 1 1 76 76 ASN HD22 H 1 7.5500 . . 2 . . . A 541 ASN HD22 . 17862 1 981 . 1 1 76 76 ASN C C 13 174.6000 . . 1 . . . A 541 ASN C . 17862 1 982 . 1 1 76 76 ASN CA C 13 52.7600 . . 1 . . . A 541 ASN CA . 17862 1 983 . 1 1 76 76 ASN CB C 13 38.5400 . . 1 . . . A 541 ASN CB . 17862 1 984 . 1 1 76 76 ASN N N 15 120.9200 . . 1 . . . A 541 ASN N . 17862 1 985 . 1 1 76 76 ASN ND2 N 15 112.9800 . . 1 . . . A 541 ASN ND2 . 17862 1 986 . 1 1 77 77 ASP H H 1 8.3100 . . 1 . . . A 542 ASP H . 17862 1 987 . 1 1 77 77 ASP HA H 1 4.5600 . . 1 . . . A 542 ASP HA . 17862 1 988 . 1 1 77 77 ASP HB2 H 1 2.5500 . . 2 . . . A 542 ASP HB2 . 17862 1 989 . 1 1 77 77 ASP HB3 H 1 2.6600 . . 2 . . . A 542 ASP HB3 . 17862 1 990 . 1 1 77 77 ASP C C 13 175.0800 . . 1 . . . A 542 ASP C . 17862 1 991 . 1 1 77 77 ASP CA C 13 54.0500 . . 1 . . . A 542 ASP CA . 17862 1 992 . 1 1 77 77 ASP CB C 13 40.5800 . . 1 . . . A 542 ASP CB . 17862 1 993 . 1 1 77 77 ASP N N 15 121.2500 . . 1 . . . A 542 ASP N . 17862 1 994 . 1 1 78 78 GLN H H 1 7.8100 . . 1 . . . A 543 GLN H . 17862 1 995 . 1 1 78 78 GLN HA H 1 4.0900 . . 1 . . . A 543 GLN HA . 17862 1 996 . 1 1 78 78 GLN HB2 H 1 1.8700 . . 2 . . . A 543 GLN HB2 . 17862 1 997 . 1 1 78 78 GLN HB3 H 1 2.0600 . . 2 . . . A 543 GLN HB3 . 17862 1 998 . 1 1 78 78 GLN HG2 H 1 2.2300 . . 2 . . . A 543 GLN HG2 . 17862 1 999 . 1 1 78 78 GLN HG3 H 1 2.2300 . . 2 . . . A 543 GLN HG3 . 17862 1 1000 . 1 1 78 78 GLN HE21 H 1 6.7400 . . 2 . . . A 543 GLN HE21 . 17862 1 1001 . 1 1 78 78 GLN HE22 H 1 7.4800 . . 2 . . . A 543 GLN HE22 . 17862 1 1002 . 1 1 78 78 GLN C C 13 180.4400 . . 1 . . . A 543 GLN C . 17862 1 1003 . 1 1 78 78 GLN CA C 13 56.9600 . . 1 . . . A 543 GLN CA . 17862 1 1004 . 1 1 78 78 GLN CB C 13 30.0300 . . 1 . . . A 543 GLN CB . 17862 1 1005 . 1 1 78 78 GLN CG C 13 33.8500 . . 1 . . . A 543 GLN CG . 17862 1 1006 . 1 1 78 78 GLN N N 15 124.8700 . . 1 . . . A 543 GLN N . 17862 1 1007 . 1 1 78 78 GLN NE2 N 15 112.6600 . . 1 . . . A 543 GLN NE2 . 17862 1 stop_ save_