data_5391 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5391 _Entry.Title ; The NMR Solution Structure of the RIP Death Domain and Characterization of the Interaction with TRADD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-06-10 _Entry.Accession_date 2002-06-10 _Entry.Last_release_date 2003-07-30 _Entry.Original_release_date 2003-07-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 S. Sukits . F. . 5391 2 J. Telliez . B. . 5391 3 K. Malakian . . . 5391 4 S. Hsu . . . 5391 5 L. Lin . L. . 5391 6 G. Xu . Y. . 5391 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5391 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 646 5391 '13C chemical shifts' 374 5391 '15N chemical shifts' 104 5391 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 . . 2003-07-30 2002-06-10 original author . 5391 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5391 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21348196 _Citation.DOI . _Citation.PubMed_ID 11453696 _Citation.Full_citation . _Citation.Title ; Solution Structure of the Tumor Necrosis Factor Receptor-1 Death Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 310 _Citation.Journal_issue 4 _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 895 _Citation.Page_last 906 _Citation.Year 2001 _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 S. Sukits . F. . 5391 1 2 L. Lin . L. . 5391 1 3 S. Hsu . . . 5391 1 4 K. Malakian . . . 5391 1 5 R. Powers . . . 5391 1 6 G. Xu . Y. . 5391 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Receptor Interacting Protein (RIP)' 5391 1 'Death Domain' 5391 1 'Tumor Necrosis Factor Receptor-1 (TNFR-1)' 5391 1 'TNFR-associated Death Domain Protein (TRADD)' 5391 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RISTPK-2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RISTPK-2 _Assembly.Entry_ID 5391 _Assembly.ID 1 _Assembly.Name 'Receptor-Interacting Serine/Threonine Protein Kinase 2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.1.- _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5391 1 stop_ 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 'Receptor-Interacting Serine/Threonine Protein Kinase 2' 1 $RIP . . . . . . . . . 5391 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1LSK . . . . . . 5391 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Receptor-Interacting Serine/Threonine Protein Kinase 2' system 5391 1 RIP abbreviation 5391 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RIP _Entity.Sf_category entity _Entity.Sf_framecode RIP _Entity.Entry_ID 5391 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Receptor-Interacting Serine/Threonine Protein Kinase 2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHMAIFDNTTSLTDK HLDPIRENLGKHWKNCARKL GFTQSQIDEIDHDYERDGLK EKVYQMLQKWVMREGIKGAT VGKLAQALHQCSRIDLLSSL IYVSQNHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The first seven residues (MHHHHHH) are HIS-tag. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAD92163 . "receptor (TNFRSF)-interacting serine-threonine kinase 1 variant [Homo sapiens]" . . . . . 89.29 519 98.00 99.00 4.90e-61 . . . . 5391 1 2 no DBJ BAG36858 . "unnamed protein product [Homo sapiens]" . . . . . 89.29 671 98.00 99.00 2.61e-59 . . . . 5391 1 3 no DBJ BAG53315 . "unnamed protein product [Homo sapiens]" . . . . . 89.29 273 98.00 99.00 8.94e-66 . . . . 5391 1 4 no DBJ BAG65471 . "unnamed protein product [Homo sapiens]" . . . . . 89.29 584 98.00 99.00 4.71e-60 . . . . 5391 1 5 no GB AAC32232 . "RIP protein kinase [Homo sapiens]" . . . . . 89.29 671 98.00 99.00 3.01e-59 . . . . 5391 1 6 no GB AAC50137 . "RIP, partial [Homo sapiens]" . . . . . 89.29 372 98.00 99.00 1.81e-60 . . . . 5391 1 7 no GB AAI26255 . "Receptor (TNFRSF)-interacting serine-threonine kinase 1 [Homo sapiens]" . . . . . 89.29 671 98.00 99.00 3.11e-59 . . . . 5391 1 8 no GB AAI26257 . "Receptor (TNFRSF)-interacting serine-threonine kinase 1 [Homo sapiens]" . . . . . 89.29 671 98.00 99.00 3.11e-59 . . . . 5391 1 9 no GB AAT74626 . "receptor (TNFRSF)-interacting serine-threonine kinase 1 [Homo sapiens]" . . . . . 89.29 671 98.00 99.00 3.11e-59 . . . . 5391 1 10 no PRF 2112225A . "death domain-containing protein RIP" . . . . . 89.29 372 98.00 99.00 1.81e-60 . . . . 5391 1 11 no REF NP_003795 . "receptor-interacting serine/threonine-protein kinase 1 [Homo sapiens]" . . . . . 89.29 671 98.00 99.00 3.11e-59 . . . . 5391 1 12 no REF XP_001160973 . "PREDICTED: receptor-interacting serine/threonine-protein kinase 1 [Pan troglodytes]" . . . . . 89.29 671 98.00 99.00 3.66e-59 . . . . 5391 1 13 no REF XP_002816403 . "PREDICTED: LOW QUALITY PROTEIN: receptor-interacting serine/threonine-protein kinase 1 [Pongo abelii]" . . . . . 89.29 671 97.00 99.00 1.10e-59 . . . . 5391 1 14 no REF XP_003805603 . "PREDICTED: receptor-interacting serine/threonine-protein kinase 1 isoform X1 [Pan paniscus]" . . . . . 89.29 671 98.00 99.00 2.67e-59 . . . . 5391 1 15 no REF XP_005249514 . "PREDICTED: receptor-interacting serine/threonine-protein kinase 1 isoform X1 [Homo sapiens]" . . . . . 89.29 841 98.00 99.00 1.58e-61 . . . . 5391 1 16 no SP Q13546 . "RecName: Full=Receptor-interacting serine/threonine-protein kinase 1; AltName: Full=Cell death protein RIP; AltName: Full=Recep" . . . . . 89.29 671 98.00 99.00 3.11e-59 . . . . 5391 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Receptor-Interacting Serine/Threonine Protein Kinase 2' common 5391 1 RIP abbreviation 5391 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 -7 MET . 5391 1 2 -6 HIS . 5391 1 3 -5 HIS . 5391 1 4 -4 HIS . 5391 1 5 -3 HIS . 5391 1 6 -2 HIS . 5391 1 7 -1 HIS . 5391 1 8 573 MET . 5391 1 9 574 ALA . 5391 1 10 575 ILE . 5391 1 11 576 PHE . 5391 1 12 577 ASP . 5391 1 13 578 ASN . 5391 1 14 579 THR . 5391 1 15 580 THR . 5391 1 16 581 SER . 5391 1 17 582 LEU . 5391 1 18 583 THR . 5391 1 19 584 ASP . 5391 1 20 585 LYS . 5391 1 21 586 HIS . 5391 1 22 587 LEU . 5391 1 23 588 ASP . 5391 1 24 589 PRO . 5391 1 25 590 ILE . 5391 1 26 591 ARG . 5391 1 27 592 GLU . 5391 1 28 593 ASN . 5391 1 29 594 LEU . 5391 1 30 595 GLY . 5391 1 31 596 LYS . 5391 1 32 597 HIS . 5391 1 33 598 TRP . 5391 1 34 599 LYS . 5391 1 35 600 ASN . 5391 1 36 601 CYS . 5391 1 37 602 ALA . 5391 1 38 603 ARG . 5391 1 39 604 LYS . 5391 1 40 605 LEU . 5391 1 41 606 GLY . 5391 1 42 607 PHE . 5391 1 43 608 THR . 5391 1 44 609 GLN . 5391 1 45 610 SER . 5391 1 46 611 GLN . 5391 1 47 612 ILE . 5391 1 48 613 ASP . 5391 1 49 614 GLU . 5391 1 50 615 ILE . 5391 1 51 616 ASP . 5391 1 52 617 HIS . 5391 1 53 618 ASP . 5391 1 54 619 TYR . 5391 1 55 620 GLU . 5391 1 56 621 ARG . 5391 1 57 622 ASP . 5391 1 58 623 GLY . 5391 1 59 624 LEU . 5391 1 60 625 LYS . 5391 1 61 626 GLU . 5391 1 62 627 LYS . 5391 1 63 628 VAL . 5391 1 64 629 TYR . 5391 1 65 630 GLN . 5391 1 66 631 MET . 5391 1 67 632 LEU . 5391 1 68 633 GLN . 5391 1 69 634 LYS . 5391 1 70 635 TRP . 5391 1 71 636 VAL . 5391 1 72 637 MET . 5391 1 73 638 ARG . 5391 1 74 639 GLU . 5391 1 75 640 GLY . 5391 1 76 641 ILE . 5391 1 77 642 LYS . 5391 1 78 643 GLY . 5391 1 79 644 ALA . 5391 1 80 645 THR . 5391 1 81 646 VAL . 5391 1 82 647 GLY . 5391 1 83 648 LYS . 5391 1 84 649 LEU . 5391 1 85 650 ALA . 5391 1 86 651 GLN . 5391 1 87 652 ALA . 5391 1 88 653 LEU . 5391 1 89 654 HIS . 5391 1 90 655 GLN . 5391 1 91 656 CYS . 5391 1 92 657 SER . 5391 1 93 658 ARG . 5391 1 94 659 ILE . 5391 1 95 660 ASP . 5391 1 96 661 LEU . 5391 1 97 662 LEU . 5391 1 98 663 SER . 5391 1 99 664 SER . 5391 1 100 665 LEU . 5391 1 101 666 ILE . 5391 1 102 667 TYR . 5391 1 103 668 VAL . 5391 1 104 669 SER . 5391 1 105 670 GLN . 5391 1 106 671 ASN . 5391 1 107 672 HIS . 5391 1 108 673 HIS . 5391 1 109 674 HIS . 5391 1 110 675 HIS . 5391 1 111 676 HIS . 5391 1 112 677 HIS . 5391 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5391 1 . HIS 2 2 5391 1 . HIS 3 3 5391 1 . HIS 4 4 5391 1 . HIS 5 5 5391 1 . HIS 6 6 5391 1 . HIS 7 7 5391 1 . MET 8 8 5391 1 . ALA 9 9 5391 1 . ILE 10 10 5391 1 . PHE 11 11 5391 1 . ASP 12 12 5391 1 . ASN 13 13 5391 1 . THR 14 14 5391 1 . THR 15 15 5391 1 . SER 16 16 5391 1 . LEU 17 17 5391 1 . THR 18 18 5391 1 . ASP 19 19 5391 1 . LYS 20 20 5391 1 . HIS 21 21 5391 1 . LEU 22 22 5391 1 . ASP 23 23 5391 1 . PRO 24 24 5391 1 . ILE 25 25 5391 1 . ARG 26 26 5391 1 . GLU 27 27 5391 1 . ASN 28 28 5391 1 . LEU 29 29 5391 1 . GLY 30 30 5391 1 . LYS 31 31 5391 1 . HIS 32 32 5391 1 . TRP 33 33 5391 1 . LYS 34 34 5391 1 . ASN 35 35 5391 1 . CYS 36 36 5391 1 . ALA 37 37 5391 1 . ARG 38 38 5391 1 . LYS 39 39 5391 1 . LEU 40 40 5391 1 . GLY 41 41 5391 1 . PHE 42 42 5391 1 . THR 43 43 5391 1 . GLN 44 44 5391 1 . SER 45 45 5391 1 . GLN 46 46 5391 1 . ILE 47 47 5391 1 . ASP 48 48 5391 1 . GLU 49 49 5391 1 . ILE 50 50 5391 1 . ASP 51 51 5391 1 . HIS 52 52 5391 1 . ASP 53 53 5391 1 . TYR 54 54 5391 1 . GLU 55 55 5391 1 . ARG 56 56 5391 1 . ASP 57 57 5391 1 . GLY 58 58 5391 1 . LEU 59 59 5391 1 . LYS 60 60 5391 1 . GLU 61 61 5391 1 . LYS 62 62 5391 1 . VAL 63 63 5391 1 . TYR 64 64 5391 1 . GLN 65 65 5391 1 . MET 66 66 5391 1 . LEU 67 67 5391 1 . GLN 68 68 5391 1 . LYS 69 69 5391 1 . TRP 70 70 5391 1 . VAL 71 71 5391 1 . MET 72 72 5391 1 . ARG 73 73 5391 1 . GLU 74 74 5391 1 . GLY 75 75 5391 1 . ILE 76 76 5391 1 . LYS 77 77 5391 1 . GLY 78 78 5391 1 . ALA 79 79 5391 1 . THR 80 80 5391 1 . VAL 81 81 5391 1 . GLY 82 82 5391 1 . LYS 83 83 5391 1 . LEU 84 84 5391 1 . ALA 85 85 5391 1 . GLN 86 86 5391 1 . ALA 87 87 5391 1 . LEU 88 88 5391 1 . HIS 89 89 5391 1 . GLN 90 90 5391 1 . CYS 91 91 5391 1 . SER 92 92 5391 1 . ARG 93 93 5391 1 . ILE 94 94 5391 1 . ASP 95 95 5391 1 . LEU 96 96 5391 1 . LEU 97 97 5391 1 . SER 98 98 5391 1 . SER 99 99 5391 1 . LEU 100 100 5391 1 . ILE 101 101 5391 1 . TYR 102 102 5391 1 . VAL 103 103 5391 1 . SER 104 104 5391 1 . GLN 105 105 5391 1 . ASN 106 106 5391 1 . HIS 107 107 5391 1 . HIS 108 108 5391 1 . HIS 109 109 5391 1 . HIS 110 110 5391 1 . HIS 111 111 5391 1 . HIS 112 112 5391 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 5391 _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 $RIP . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5391 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 5391 _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 $RIP . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 5391 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5391 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Receptor-Interacting Serine/Threonine Protein Kinase 2' [U-15N] . . 1 $RIP . . . 0.75 1 mM . . . . 5391 1 2 acetate . . . . . . . 50 . . mM . . . . 5391 1 3 NaCl . . . . . . . 250 . . mM . . . . 5391 1 4 DTT . . . . . . . 20 . . mM . . . . 5391 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5391 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Receptor-Interacting Serine/Threonine Protein Kinase 2' '[U-13C; U-15N]' . . 1 $RIP . . . 0.75 1 mM . . . . 5391 2 2 acetate . . . . . . . 50 . . mM . . . . 5391 2 3 NaCl . . . . . . . 250 . . mM . . . . 5391 2 4 DTT . . . . . . . 20 . . mM . . . . 5391 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5391 _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 pH 4.5 . n/a 5391 1 temperature 309 . K 5391 1 'ionic strength' 250 . mM 5391 1 pressure 1 . atm 5391 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 5391 _Software.ID 1 _Software.Name X-PLOR _Software.Version 98.0 _Software.Details 'John Badger, R. Ajay Kumar, Ping Yip.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5391 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5391 _Software.ID 2 _Software.Name NMRPipe _Software.Version '2.1, Rev 2001.193.18.33' _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5391 2 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 5391 _Software.ID 3 _Software.Name PIPP _Software.Version '4.2.2, 1998' _Software.Details 'Garrett, D.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5391 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5391 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITYplus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5391 _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 NMR_spectrometer Varian UNITYplus . 600 . . . 5391 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 5391 _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 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5391 1 stop_ save_ save_NMR_applied_experiment _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment _NMR_spec_expt.Entry_ID 5391 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5391 _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 H 1 . . . . . . ppm . . . . . . . . . . . . . 5391 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 5391 1 C 13 . . . . . . ppm . . . . . . . . . . . . . 5391 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5391 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5391 1 . . 2 $sample_2 . 5391 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 9 9 ALA CA C 13 51.5700 . . . . . . . 574 . . . 5391 1 2 . 1 1 9 9 ALA CB C 13 19.31 . . . . . . . 574 . . . 5391 1 3 . 1 1 10 10 ILE N N 15 120.0000 . . . . . . . 575 . . . 5391 1 4 . 1 1 10 10 ILE H H 1 8.3400 . . . . . . . 575 . . . 5391 1 5 . 1 1 10 10 ILE C C 13 175.500 . . . . . . . 575 . . . 5391 1 6 . 1 1 10 10 ILE CA C 13 61.3700 . . . . . . . 575 . . . 5391 1 7 . 1 1 10 10 ILE HA H 1 4.1500 . . . . . . . 575 . . . 5391 1 8 . 1 1 10 10 ILE CB C 13 38.6100 . . . . . . . 575 . . . 5391 1 9 . 1 1 10 10 ILE HB H 1 1.7900 . . . . . . . 575 . . . 5391 1 10 . 1 1 10 10 ILE CG1 C 13 27.2200 . . . . . . . 575 . . . 5391 1 11 . 1 1 10 10 ILE HG12 H 1 1.3900 . . . . . . . 575 . . . 5391 1 12 . 1 1 10 10 ILE HG13 H 1 1.1200 . . . . . . . 575 . . . 5391 1 13 . 1 1 10 10 ILE CG2 C 13 17.4200 . . . . . . . 575 . . . 5391 1 14 . 1 1 10 10 ILE HG21 H 1 0.8100 . . . . . . . 575 . . . 5391 1 15 . 1 1 10 10 ILE HG22 H 1 0.8100 . . . . . . . 575 . . . 5391 1 16 . 1 1 10 10 ILE HG23 H 1 0.8100 . . . . . . . 575 . . . 5391 1 17 . 1 1 10 10 ILE CD1 C 13 12.9800 . . . . . . . 575 . . . 5391 1 18 . 1 1 10 10 ILE HD11 H 1 0.8400 . . . . . . . 575 . . . 5391 1 19 . 1 1 10 10 ILE HD12 H 1 0.8400 . . . . . . . 575 . . . 5391 1 20 . 1 1 10 10 ILE HD13 H 1 0.8400 . . . . . . . 575 . . . 5391 1 21 . 1 1 11 11 PHE N N 15 123.2800 . . . . . . . 576 . . . 5391 1 22 . 1 1 11 11 PHE H H 1 8.1500 . . . . . . . 576 . . . 5391 1 23 . 1 1 11 11 PHE CA C 13 57.0800 . . . . . . . 576 . . . 5391 1 24 . 1 1 11 11 PHE HA H 1 4.7100 . . . . . . . 576 . . . 5391 1 25 . 1 1 11 11 PHE CB C 13 39.4100 . . . . . . . 576 . . . 5391 1 26 . 1 1 11 11 PHE HB2 H 1 3.1800 . . . . . . . 576 . . . 5391 1 27 . 1 1 11 11 PHE HB3 H 1 3.0400 . . . . . . . 576 . . . 5391 1 28 . 1 1 11 11 PHE HD1 H 1 7.2500 . . . . . . . 576 . . . 5391 1 29 . 1 1 11 11 PHE HD2 H 1 7.2500 . . . . . . . 576 . . . 5391 1 30 . 1 1 12 12 ASP N N 15 122.1100 . . . . . . . 577 . . . 5391 1 31 . 1 1 12 12 ASP H H 1 8.1500 . . . . . . . 577 . . . 5391 1 32 . 1 1 12 12 ASP CA C 13 53.7000 . . . . . . . 577 . . . 5391 1 33 . 1 1 12 12 ASP HA H 1 4.6400 . . . . . . . 577 . . . 5391 1 34 . 1 1 12 12 ASP CB C 13 40.9000 . . . . . . . 577 . . . 5391 1 35 . 1 1 12 12 ASP HB2 H 1 2.7200 . . . . . . . 577 . . . 5391 1 36 . 1 1 12 12 ASP HB3 H 1 2.6800 . . . . . . . 577 . . . 5391 1 37 . 1 1 13 13 ASN N N 15 119.8500 . . . . . . . 578 . . . 5391 1 38 . 1 1 13 13 ASN H H 1 8.3200 . . . . . . . 578 . . . 5391 1 39 . 1 1 13 13 ASN C C 13 175.600 . . . . . . . 578 . . . 5391 1 40 . 1 1 13 13 ASN CA C 13 53.2300 . . . . . . . 578 . . . 5391 1 41 . 1 1 13 13 ASN HA H 1 4.7700 . . . . . . . 578 . . . 5391 1 42 . 1 1 13 13 ASN CB C 13 38.5800 . . . . . . . 578 . . . 5391 1 43 . 1 1 13 13 ASN HB2 H 1 3.0300 . . . . . . . 578 . . . 5391 1 44 . 1 1 13 13 ASN HB3 H 1 2.8700 . . . . . . . 578 . . . 5391 1 45 . 1 1 13 13 ASN ND2 N 15 112.06 . . . . . . . 578 . . . 5391 1 46 . 1 1 13 13 ASN HD21 H 1 6.8500 . . . . . . . 578 . . . 5391 1 47 . 1 1 13 13 ASN HD22 H 1 7.5400 . . . . . . . 578 . . . 5391 1 48 . 1 1 14 14 THR N N 15 114.4000 . . . . . . . 579 . . . 5391 1 49 . 1 1 14 14 THR H H 1 8.2400 . . . . . . . 579 . . . 5391 1 50 . 1 1 14 14 THR C C 13 175.000 . . . . . . . 579 . . . 5391 1 51 . 1 1 14 14 THR CA C 13 62.4000 . . . . . . . 579 . . . 5391 1 52 . 1 1 14 14 THR HA H 1 4.3700 . . . . . . . 579 . . . 5391 1 53 . 1 1 14 14 THR CB C 13 69.3900 . . . . . . . 579 . . . 5391 1 54 . 1 1 14 14 THR HB H 1 4.1400 . . . . . . . 579 . . . 5391 1 55 . 1 1 14 14 THR CG2 C 13 21.6400 . . . . . . . 579 . . . 5391 1 56 . 1 1 14 14 THR HG21 H 1 1.2400 . . . . . . . 579 . . . 5391 1 57 . 1 1 14 14 THR HG22 H 1 1.2400 . . . . . . . 579 . . . 5391 1 58 . 1 1 14 14 THR HG23 H 1 1.2400 . . . . . . . 579 . . . 5391 1 59 . 1 1 15 15 THR N N 15 116.2000 . . . . . . . 580 . . . 5391 1 60 . 1 1 15 15 THR H H 1 8.0700 . . . . . . . 580 . . . 5391 1 61 . 1 1 15 15 THR CA C 13 62.0600 . . . . . . . 580 . . . 5391 1 62 . 1 1 15 15 THR HA H 1 4.4100 . . . . . . . 580 . . . 5391 1 63 . 1 1 15 15 THR CB C 13 69.4900 . . . . . . . 580 . . . 5391 1 64 . 1 1 15 15 THR HB H 1 4.2800 . . . . . . . 580 . . . 5391 1 65 . 1 1 15 15 THR CG2 C 13 21.6400 . . . . . . . 580 . . . 5391 1 66 . 1 1 15 15 THR HG21 H 1 1.2200 . . . . . . . 580 . . . 5391 1 67 . 1 1 15 15 THR HG22 H 1 1.2200 . . . . . . . 580 . . . 5391 1 68 . 1 1 15 15 THR HG23 H 1 1.2200 . . . . . . . 580 . . . 5391 1 69 . 1 1 16 16 SER N N 15 118.2600 . . . . . . . 581 . . . 5391 1 70 . 1 1 16 16 SER C C 13 174.500 . . . . . . . 581 . . . 5391 1 71 . 1 1 16 16 SER H H 1 8.2300 . . . . . . . 581 . . . 5391 1 72 . 1 1 16 16 SER CA C 13 58.2000 . . . . . . . 581 . . . 5391 1 73 . 1 1 16 16 SER HA H 1 4.5100 . . . . . . . 581 . . . 5391 1 74 . 1 1 16 16 SER CB C 13 63.5300 . . . . . . . 581 . . . 5391 1 75 . 1 1 16 16 SER HB2 H 1 3.9200 . . . . . . . 581 . . . 5391 1 76 . 1 1 17 17 LEU N N 15 124.1700 . . . . . . . 582 . . . 5391 1 77 . 1 1 17 17 LEU H H 1 8.2400 . . . . . . . 582 . . . 5391 1 78 . 1 1 17 17 LEU C C 13 177.600 . . . . . . . 582 . . . 5391 1 79 . 1 1 17 17 LEU CA C 13 55.4000 . . . . . . . 582 . . . 5391 1 80 . 1 1 17 17 LEU HA H 1 4.4200 . . . . . . . 582 . . . 5391 1 81 . 1 1 17 17 LEU CB C 13 42.0800 . . . . . . . 582 . . . 5391 1 82 . 1 1 17 17 LEU HB2 H 1 1.6900 . . . . . . . 582 . . . 5391 1 83 . 1 1 17 17 LEU CG C 13 27.0300 . . . . . . . 582 . . . 5391 1 84 . 1 1 17 17 LEU HG H 1 1.6700 . . . . . . . 582 . . . 5391 1 85 . 1 1 17 17 LEU CD1 C 13 25.0100 . . . . . . . 582 . . . 5391 1 86 . 1 1 17 17 LEU HD11 H 1 0.9200 . . . . . . . 582 . . . 5391 1 87 . 1 1 17 17 LEU HD12 H 1 0.9200 . . . . . . . 582 . . . 5391 1 88 . 1 1 17 17 LEU HD13 H 1 0.9200 . . . . . . . 582 . . . 5391 1 89 . 1 1 17 17 LEU CD2 C 13 23.4400 . . . . . . . 582 . . . 5391 1 90 . 1 1 17 17 LEU HD21 H 1 0.8800 . . . . . . . 582 . . . 5391 1 91 . 1 1 17 17 LEU HD22 H 1 0.8800 . . . . . . . 582 . . . 5391 1 92 . 1 1 17 17 LEU HD23 H 1 0.8800 . . . . . . . 582 . . . 5391 1 93 . 1 1 18 18 THR N N 15 113.4100 . . . . . . . 583 . . . 5391 1 94 . 1 1 18 18 THR H H 1 7.9800 . . . . . . . 583 . . . 5391 1 95 . 1 1 18 18 THR C C 13 174.200 . . . . . . . 583 . . . 5391 1 96 . 1 1 18 18 THR CA C 13 61.8000 . . . . . . . 583 . . . 5391 1 97 . 1 1 18 18 THR HA H 1 4.3200 . . . . . . . 583 . . . 5391 1 98 . 1 1 18 18 THR CB C 13 69.4500 . . . . . . . 583 . . . 5391 1 99 . 1 1 18 18 THR HB H 1 4.3900 . . . . . . . 583 . . . 5391 1 100 . 1 1 18 18 THR CG2 C 13 21.6000 . . . . . . . 583 . . . 5391 1 101 . 1 1 18 18 THR HG21 H 1 1.2000 . . . . . . . 583 . . . 5391 1 102 . 1 1 18 18 THR HG22 H 1 1.2000 . . . . . . . 583 . . . 5391 1 103 . 1 1 18 18 THR HG23 H 1 1.2000 . . . . . . . 583 . . . 5391 1 104 . 1 1 19 19 ASP N N 15 122.6300 . . . . . . . 584 . . . 5391 1 105 . 1 1 19 19 ASP H H 1 8.1500 . . . . . . . 584 . . . 5391 1 106 . 1 1 19 19 ASP CA C 13 53.8600 . . . . . . . 584 . . . 5391 1 107 . 1 1 19 19 ASP HA H 1 4.6300 . . . . . . . 584 . . . 5391 1 108 . 1 1 19 19 ASP CB C 13 40.8700 . . . . . . . 584 . . . 5391 1 109 . 1 1 19 19 ASP HB2 H 1 2.7200 . . . . . . . 584 . . . 5391 1 110 . 1 1 20 20 LYS N N 15 121.8600 . . . . . . . 585 . . . 5391 1 111 . 1 1 20 20 LYS H H 1 8.1400 . . . . . . . 585 . . . 5391 1 112 . 1 1 20 20 LYS CA C 13 56.2000 . . . . . . . 585 . . . 5391 1 113 . 1 1 20 20 LYS HA H 1 4.2700 . . . . . . . 585 . . . 5391 1 114 . 1 1 20 20 LYS CB C 13 32.4800 . . . . . . . 585 . . . 5391 1 115 . 1 1 20 20 LYS HB2 H 1 1.8300 . . . . . . . 585 . . . 5391 1 116 . 1 1 20 20 LYS HB3 H 1 1.7200 . . . . . . . 585 . . . 5391 1 117 . 1 1 20 20 LYS CG C 13 24.7000 . . . . . . . 585 . . . 5391 1 118 . 1 1 20 20 LYS HG2 H 1 1.4000 . . . . . . . 585 . . . 5391 1 119 . 1 1 20 20 LYS CD C 13 28.8900 . . . . . . . 585 . . . 5391 1 120 . 1 1 20 20 LYS HD2 H 1 1.6800 . . . . . . . 585 . . . 5391 1 121 . 1 1 20 20 LYS HD3 H 1 1.6800 . . . . . . . 585 . . . 5391 1 122 . 1 1 20 20 LYS CE C 13 42.1500 . . . . . . . 585 . . . 5391 1 123 . 1 1 20 20 LYS HE2 H 1 3.0100 . . . . . . . 585 . . . 5391 1 124 . 1 1 20 20 LYS HE3 H 1 3.0100 . . . . . . . 585 . . . 5391 1 125 . 1 1 21 21 HIS N N 15 118.9600 . . . . . . . 586 . . . 5391 1 126 . 1 1 21 21 HIS H H 1 8.4400 . . . . . . . 586 . . . 5391 1 127 . 1 1 21 21 HIS C C 13 174.100 . . . . . . . 586 . . . 5391 1 128 . 1 1 21 21 HIS CA C 13 55.3700 . . . . . . . 586 . . . 5391 1 129 . 1 1 21 21 HIS HA H 1 4.6600 . . . . . . . 586 . . . 5391 1 130 . 1 1 21 21 HIS CB C 13 28.4100 . . . . . . . 586 . . . 5391 1 131 . 1 1 21 21 HIS HB2 H 1 3.2700 . . . . . . . 586 . . . 5391 1 132 . 1 1 21 21 HIS HB3 H 1 3.3100 . . . . . . . 586 . . . 5391 1 133 . 1 1 21 21 HIS HD1 H 1 7.3200 . . . . . . . 586 . . . 5391 1 134 . 1 1 22 22 LEU N N 15 123.0300 . . . . . . . 587 . . . 5391 1 135 . 1 1 22 22 LEU H H 1 8.1300 . . . . . . . 587 . . . 5391 1 136 . 1 1 22 22 LEU C C 13 176.400 . . . . . . . 587 . . . 5391 1 137 . 1 1 22 22 LEU CA C 13 54.6700 . . . . . . . 587 . . . 5391 1 138 . 1 1 22 22 LEU HA H 1 4.3700 . . . . . . . 587 . . . 5391 1 139 . 1 1 22 22 LEU CB C 13 42.4100 . . . . . . . 587 . . . 5391 1 140 . 1 1 22 22 LEU HB2 H 1 1.6400 . . . . . . . 587 . . . 5391 1 141 . 1 1 22 22 LEU HB3 H 1 1.5500 . . . . . . . 587 . . . 5391 1 142 . 1 1 22 22 LEU CG C 13 26.9400 . . . . . . . 587 . . . 5391 1 143 . 1 1 22 22 LEU HG H 1 1.5500 . . . . . . . 587 . . . 5391 1 144 . 1 1 22 22 LEU CD1 C 13 25.0000 . . . . . . . 587 . . . 5391 1 145 . 1 1 22 22 LEU HD11 H 1 0.8700 . . . . . . . 587 . . . 5391 1 146 . 1 1 22 22 LEU HD12 H 1 0.8700 . . . . . . . 587 . . . 5391 1 147 . 1 1 22 22 LEU HD13 H 1 0.8700 . . . . . . . 587 . . . 5391 1 148 . 1 1 22 22 LEU CD2 C 13 23.5600 . . . . . . . 587 . . . 5391 1 149 . 1 1 22 22 LEU HD21 H 1 0.9100 . . . . . . . 587 . . . 5391 1 150 . 1 1 22 22 LEU HD22 H 1 0.9100 . . . . . . . 587 . . . 5391 1 151 . 1 1 22 22 LEU HD23 H 1 0.9100 . . . . . . . 587 . . . 5391 1 152 . 1 1 23 23 ASP N N 15 122.9100 . . . . . . . 588 . . . 5391 1 153 . 1 1 23 23 ASP H H 1 8.2900 . . . . . . . 588 . . . 5391 1 154 . 1 1 23 23 ASP CA C 13 52.3500 . . . . . . . 588 . . . 5391 1 155 . 1 1 23 23 ASP HA H 1 4.9200 . . . . . . . 588 . . . 5391 1 156 . 1 1 23 23 ASP CB C 13 40.7200 . . . . . . . 588 . . . 5391 1 157 . 1 1 23 23 ASP HB2 H 1 2.8100 . . . . . . . 588 . . . 5391 1 158 . 1 1 23 23 ASP HB3 H 1 2.6600 . . . . . . . 588 . . . 5391 1 159 . 1 1 24 24 PRO CA C 13 63.5900 . . . . . . . 589 . . . 5391 1 160 . 1 1 24 24 PRO HA H 1 4.4500 . . . . . . . 589 . . . 5391 1 161 . 1 1 24 24 PRO CB C 13 31.9500 . . . . . . . 589 . . . 5391 1 162 . 1 1 24 24 PRO HB2 H 1 2.3200 . . . . . . . 589 . . . 5391 1 163 . 1 1 24 24 PRO HB3 H 1 1.9600 . . . . . . . 589 . . . 5391 1 164 . 1 1 24 24 PRO CG C 13 27.2900 . . . . . . . 589 . . . 5391 1 165 . 1 1 24 24 PRO HG2 H 1 2.0500 . . . . . . . 589 . . . 5391 1 166 . 1 1 24 24 PRO CD C 13 50.7600 . . . . . . . 589 . . . 5391 1 167 . 1 1 24 24 PRO HD2 H 1 3.8300 . . . . . . . 589 . . . 5391 1 168 . 1 1 24 24 PRO HD3 H 1 3.8700 . . . . . . . 589 . . . 5391 1 169 . 1 1 25 25 ILE N N 15 120.0800 . . . . . . . 590 . . . 5391 1 170 . 1 1 25 25 ILE H H 1 8.0400 . . . . . . . 590 . . . 5391 1 171 . 1 1 25 25 ILE C C 13 176.900 . . . . . . . 590 . . . 5391 1 172 . 1 1 25 25 ILE CA C 13 61.8100 . . . . . . . 590 . . . 5391 1 173 . 1 1 25 25 ILE HA H 1 4.0600 . . . . . . . 590 . . . 5391 1 174 . 1 1 25 25 ILE CB C 13 37.7400 . . . . . . . 590 . . . 5391 1 175 . 1 1 25 25 ILE HB H 1 2.0000 . . . . . . . 590 . . . 5391 1 176 . 1 1 25 25 ILE CG1 C 13 27.6700 . . . . . . . 590 . . . 5391 1 177 . 1 1 25 25 ILE HG12 H 1 1.5300 . . . . . . . 590 . . . 5391 1 178 . 1 1 25 25 ILE HG13 H 1 1.2700 . . . . . . . 590 . . . 5391 1 179 . 1 1 25 25 ILE CG2 C 13 17.6700 . . . . . . . 590 . . . 5391 1 180 . 1 1 25 25 ILE HG21 H 1 0.8800 . . . . . . . 590 . . . 5391 1 181 . 1 1 25 25 ILE HG22 H 1 0.8800 . . . . . . . 590 . . . 5391 1 182 . 1 1 25 25 ILE HG23 H 1 0.8800 . . . . . . . 590 . . . 5391 1 183 . 1 1 25 25 ILE CD1 C 13 12.7800 . . . . . . . 590 . . . 5391 1 184 . 1 1 25 25 ILE HD11 H 1 0.9200 . . . . . . . 590 . . . 5391 1 185 . 1 1 25 25 ILE HD12 H 1 0.9200 . . . . . . . 590 . . . 5391 1 186 . 1 1 25 25 ILE HD13 H 1 0.9200 . . . . . . . 590 . . . 5391 1 187 . 1 1 26 26 ARG N N 15 123.6800 . . . . . . . 591 . . . 5391 1 188 . 1 1 26 26 ARG H H 1 8.1100 . . . . . . . 591 . . . 5391 1 189 . 1 1 26 26 ARG C C 13 176.700 . . . . . . . 591 . . . 5391 1 190 . 1 1 26 26 ARG CA C 13 56.5300 . . . . . . . 591 . . . 5391 1 191 . 1 1 26 26 ARG HA H 1 4.2900 . . . . . . . 591 . . . 5391 1 192 . 1 1 26 26 ARG CB C 13 30.4500 . . . . . . . 591 . . . 5391 1 193 . 1 1 26 26 ARG HB2 H 1 1.8600 . . . . . . . 591 . . . 5391 1 194 . 1 1 26 26 ARG CG C 13 27.4600 . . . . . . . 591 . . . 5391 1 195 . 1 1 26 26 ARG HG2 H 1 1.6900 . . . . . . . 591 . . . 5391 1 196 . 1 1 26 26 ARG HG3 H 1 1.6100 . . . . . . . 591 . . . 5391 1 197 . 1 1 26 26 ARG CD C 13 43.3400 . . . . . . . 591 . . . 5391 1 198 . 1 1 26 26 ARG HD2 H 1 3.2300 . . . . . . . 591 . . . 5391 1 199 . 1 1 26 26 ARG HD3 H 1 3.2300 . . . . . . . 591 . . . 5391 1 200 . 1 1 27 27 GLU N N 15 121.0900 . . . . . . . 592 . . . 5391 1 201 . 1 1 27 27 GLU H H 1 8.2500 . . . . . . . 592 . . . 5391 1 202 . 1 1 27 27 GLU CA C 13 56.8100 . . . . . . . 592 . . . 5391 1 203 . 1 1 27 27 GLU HA H 1 4.2800 . . . . . . . 592 . . . 5391 1 204 . 1 1 27 27 GLU CB C 13 30.3300 . . . . . . . 592 . . . 5391 1 205 . 1 1 27 27 GLU HB2 H 1 2.0600 . . . . . . . 592 . . . 5391 1 206 . 1 1 27 27 GLU CG C 13 36.0300 . . . . . . . 592 . . . 5391 1 207 . 1 1 27 27 GLU HG2 H 1 2.3100 . . . . . . . 592 . . . 5391 1 208 . 1 1 27 27 GLU HG3 H 1 2.3200 . . . . . . . 592 . . . 5391 1 209 . 1 1 28 28 ASN N N 15 120.1000 . . . . . . . 593 . . . 5391 1 210 . 1 1 28 28 ASN H H 1 8.4200 . . . . . . . 593 . . . 5391 1 211 . 1 1 28 28 ASN C C 13 176.300 . . . . . . . 593 . . . 5391 1 212 . 1 1 28 28 ASN CA C 13 53.1600 . . . . . . . 593 . . . 5391 1 213 . 1 1 28 28 ASN HA H 1 4.7700 . . . . . . . 593 . . . 5391 1 214 . 1 1 28 28 ASN CB C 13 38.2400 . . . . . . . 593 . . . 5391 1 215 . 1 1 28 28 ASN HB2 H 1 3.0500 . . . . . . . 593 . . . 5391 1 216 . 1 1 28 28 ASN HB3 H 1 2.8700 . . . . . . . 593 . . . 5391 1 217 . 1 1 28 28 ASN ND2 N 15 112.08 . . . . . . . 593 . . . 5391 1 218 . 1 1 28 28 ASN HD21 H 1 6.9300 . . . . . . . 593 . . . 5391 1 219 . 1 1 28 28 ASN HD22 H 1 7.6800 . . . . . . . 593 . . . 5391 1 220 . 1 1 29 29 LEU N N 15 123.3700 . . . . . . . 594 . . . 5391 1 221 . 1 1 29 29 LEU H H 1 8.3400 . . . . . . . 594 . . . 5391 1 222 . 1 1 29 29 LEU C C 13 178.100 . . . . . . . 594 . . . 5391 1 223 . 1 1 29 29 LEU CA C 13 56.7500 . . . . . . . 594 . . . 5391 1 224 . 1 1 29 29 LEU HA H 1 4.2600 . . . . . . . 594 . . . 5391 1 225 . 1 1 29 29 LEU CB C 13 41.3900 . . . . . . . 594 . . . 5391 1 226 . 1 1 29 29 LEU HB2 H 1 1.6400 . . . . . . . 594 . . . 5391 1 227 . 1 1 29 29 LEU HB3 H 1 1.7900 . . . . . . . 594 . . . 5391 1 228 . 1 1 29 29 LEU CG C 13 24.9500 . . . . . . . 594 . . . 5391 1 229 . 1 1 29 29 LEU CD1 C 13 23.2300 . . . . . . . 594 . . . 5391 1 230 . 1 1 29 29 LEU HD11 H 1 0.6900 . . . . . . . 594 . . . 5391 1 231 . 1 1 29 29 LEU HD12 H 1 0.6900 . . . . . . . 594 . . . 5391 1 232 . 1 1 29 29 LEU HD13 H 1 0.6900 . . . . . . . 594 . . . 5391 1 233 . 1 1 29 29 LEU CD2 C 13 24.9500 . . . . . . . 594 . . . 5391 1 234 . 1 1 29 29 LEU HD21 H 1 0.5900 . . . . . . . 594 . . . 5391 1 235 . 1 1 29 29 LEU HD22 H 1 0.5900 . . . . . . . 594 . . . 5391 1 236 . 1 1 29 29 LEU HD23 H 1 0.5900 . . . . . . . 594 . . . 5391 1 237 . 1 1 30 30 GLY N N 15 107.7100 . . . . . . . 595 . . . 5391 1 238 . 1 1 30 30 GLY H H 1 8.4000 . . . . . . . 595 . . . 5391 1 239 . 1 1 30 30 GLY C C 13 173.500 . . . . . . . 595 . . . 5391 1 240 . 1 1 30 30 GLY CA C 13 46.2000 . . . . . . . 595 . . . 5391 1 241 . 1 1 30 30 GLY HA2 H 1 4.3300 . . . . . . . 595 . . . 5391 1 242 . 1 1 30 30 GLY HA3 H 1 4.2300 . . . . . . . 595 . . . 5391 1 243 . 1 1 31 31 LYS N N 15 120.6300 . . . . . . . 596 . . . 5391 1 244 . 1 1 31 31 LYS H H 1 7.5100 . . . . . . . 596 . . . 5391 1 245 . 1 1 31 31 LYS C C 13 177.700 . . . . . . . 596 . . . 5391 1 246 . 1 1 31 31 LYS CA C 13 59.5600 . . . . . . . 596 . . . 5391 1 247 . 1 1 31 31 LYS HA H 1 4.0100 . . . . . . . 596 . . . 5391 1 248 . 1 1 31 31 LYS CB C 13 32.4600 . . . . . . . 596 . . . 5391 1 249 . 1 1 31 31 LYS HB2 H 1 2.0200 . . . . . . . 596 . . . 5391 1 250 . 1 1 31 31 LYS CG C 13 24.9800 . . . . . . . 596 . . . 5391 1 251 . 1 1 31 31 LYS HG2 H 1 1.8100 . . . . . . . 596 . . . 5391 1 252 . 1 1 31 31 LYS HG3 H 1 1.57 . . . . . . . 596 . . . 5391 1 253 . 1 1 32 32 HIS N N 15 117.4900 . . . . . . . 597 . . . 5391 1 254 . 1 1 32 32 HIS H H 1 8.7800 . . . . . . . 597 . . . 5391 1 255 . 1 1 32 32 HIS C C 13 177.300 . . . . . . . 597 . . . 5391 1 256 . 1 1 32 32 HIS CA C 13 60.2900 . . . . . . . 597 . . . 5391 1 257 . 1 1 32 32 HIS HA H 1 4.2500 . . . . . . . 597 . . . 5391 1 258 . 1 1 32 32 HIS CB C 13 28.3700 . . . . . . . 597 . . . 5391 1 259 . 1 1 32 32 HIS HB2 H 1 3.4000 . . . . . . . 597 . . . 5391 1 260 . 1 1 32 32 HIS HD1 H 1 8.0100 . . . . . . . 597 . . . 5391 1 261 . 1 1 32 32 HIS HE1 H 1 8.7700 . . . . . . . 597 . . . 5391 1 262 . 1 1 33 33 TRP N N 15 121.0900 . . . . . . . 598 . . . 5391 1 263 . 1 1 33 33 TRP H H 1 8.7500 . . . . . . . 598 . . . 5391 1 264 . 1 1 33 33 TRP CA C 13 65.8200 . . . . . . . 598 . . . 5391 1 265 . 1 1 33 33 TRP HA H 1 4.5700 . . . . . . . 598 . . . 5391 1 266 . 1 1 33 33 TRP CB C 13 29.2100 . . . . . . . 598 . . . 5391 1 267 . 1 1 33 33 TRP HB2 H 1 3.3200 . . . . . . . 598 . . . 5391 1 268 . 1 1 33 33 TRP HB3 H 1 3.00 . . . . . . . 598 . . . 5391 1 269 . 1 1 33 33 TRP CD1 C 13 126.3500 . . . . . . . 598 . . . 5391 1 270 . 1 1 33 33 TRP HD1 H 1 6.2700 . . . . . . . 598 . . . 5391 1 271 . 1 1 33 33 TRP NE1 N 15 131.3000 . . . . . . . 598 . . . 5391 1 272 . 1 1 33 33 TRP HE1 H 1 10.9000 . . . . . . . 598 . . . 5391 1 273 . 1 1 33 33 TRP CZ2 C 13 112.6900 . . . . . . . 598 . . . 5391 1 274 . 1 1 33 33 TRP HZ2 H 1 6.7800 . . . . . . . 598 . . . 5391 1 275 . 1 1 33 33 TRP CZ3 C 13 120.5700 . . . . . . . 598 . . . 5391 1 276 . 1 1 33 33 TRP HZ3 H 1 6.7500 . . . . . . . 598 . . . 5391 1 277 . 1 1 33 33 TRP HE3 H 1 7.0400 . . . . . . . 598 . . . 5391 1 278 . 1 1 33 33 TRP CH2 C 13 123.0600 . . . . . . . 598 . . . 5391 1 279 . 1 1 33 33 TRP HH2 H 1 7.5100 . . . . . . . 598 . . . 5391 1 280 . 1 1 34 34 LYS N N 15 121.0900 . . . . . . . 599 . . . 5391 1 281 . 1 1 34 34 LYS H H 1 8.1600 . . . . . . . 599 . . . 5391 1 282 . 1 1 34 34 LYS C C 13 177.900 . . . . . . . 599 . . . 5391 1 283 . 1 1 34 34 LYS CA C 13 60.1200 . . . . . . . 599 . . . 5391 1 284 . 1 1 34 34 LYS HA H 1 3.2700 . . . . . . . 599 . . . 5391 1 285 . 1 1 34 34 LYS CB C 13 32.0600 . . . . . . . 599 . . . 5391 1 286 . 1 1 34 34 LYS HB2 H 1 1.8800 . . . . . . . 599 . . . 5391 1 287 . 1 1 34 34 LYS CG C 13 25.2500 . . . . . . . 599 . . . 5391 1 288 . 1 1 34 34 LYS HG2 H 1 1.4900 . . . . . . . 599 . . . 5391 1 289 . 1 1 34 34 LYS HG3 H 1 1.3000 . . . . . . . 599 . . . 5391 1 290 . 1 1 34 34 LYS HE2 H 1 3.2500 . . . . . . . 599 . . . 5391 1 291 . 1 1 34 34 LYS HE3 H 1 3.2500 . . . . . . . 599 . . . 5391 1 292 . 1 1 35 35 ASN N N 15 115.6900 . . . . . . . 600 . . . 5391 1 293 . 1 1 35 35 ASN H H 1 8.0800 . . . . . . . 600 . . . 5391 1 294 . 1 1 35 35 ASN C C 13 177.400 . . . . . . . 600 . . . 5391 1 295 . 1 1 35 35 ASN CA C 13 55.6300 . . . . . . . 600 . . . 5391 1 296 . 1 1 35 35 ASN HA H 1 4.3200 . . . . . . . 600 . . . 5391 1 297 . 1 1 35 35 ASN CB C 13 37.7800 . . . . . . . 600 . . . 5391 1 298 . 1 1 35 35 ASN HB2 H 1 2.8600 . . . . . . . 600 . . . 5391 1 299 . 1 1 35 35 ASN HB3 H 1 2.6700 . . . . . . . 600 . . . 5391 1 300 . 1 1 35 35 ASN ND2 N 15 112.057 . . . . . . . 600 . . . 5391 1 301 . 1 1 35 35 ASN HD21 H 1 6.8800 . . . . . . . 600 . . . 5391 1 302 . 1 1 35 35 ASN HD22 H 1 7.6100 . . . . . . . 600 . . . 5391 1 303 . 1 1 36 36 CYS N N 15 122.1100 . . . . . . . 601 . . . 5391 1 304 . 1 1 36 36 CYS H H 1 8.0200 . . . . . . . 601 . . . 5391 1 305 . 1 1 36 36 CYS C C 13 175.900 . . . . . . . 601 . . . 5391 1 306 . 1 1 36 36 CYS CA C 13 61.9700 . . . . . . . 601 . . . 5391 1 307 . 1 1 36 36 CYS HA H 1 3.8500 . . . . . . . 601 . . . 5391 1 308 . 1 1 36 36 CYS CB C 13 26.1700 . . . . . . . 601 . . . 5391 1 309 . 1 1 36 36 CYS HB2 H 1 2.6700 . . . . . . . 601 . . . 5391 1 310 . 1 1 37 37 ALA N N 15 121.0900 . . . . . . . 602 . . . 5391 1 311 . 1 1 37 37 ALA H H 1 8.5100 . . . . . . . 602 . . . 5391 1 312 . 1 1 37 37 ALA C C 13 180.100 . . . . . . . 602 . . . 5391 1 313 . 1 1 37 37 ALA CA C 13 54.4000 . . . . . . . 602 . . . 5391 1 314 . 1 1 37 37 ALA HA H 1 3.4400 . . . . . . . 602 . . . 5391 1 315 . 1 1 37 37 ALA CB C 13 15.7100 . . . . . . . 602 . . . 5391 1 316 . 1 1 37 37 ALA HB1 H 1 0.2100 . . . . . . . 602 . . . 5391 1 317 . 1 1 37 37 ALA HB2 H 1 0.2100 . . . . . . . 602 . . . 5391 1 318 . 1 1 37 37 ALA HB3 H 1 0.2100 . . . . . . . 602 . . . 5391 1 319 . 1 1 38 38 ARG N N 15 119.0300 . . . . . . . 603 . . . 5391 1 320 . 1 1 38 38 ARG H H 1 8.1000 . . . . . . . 603 . . . 5391 1 321 . 1 1 38 38 ARG C C 13 181.000 . . . . . . . 603 . . . 5391 1 322 . 1 1 38 38 ARG CA C 13 58.7200 . . . . . . . 603 . . . 5391 1 323 . 1 1 38 38 ARG HA H 1 4.3800 . . . . . . . 603 . . . 5391 1 324 . 1 1 38 38 ARG CB C 13 29.0800 . . . . . . . 603 . . . 5391 1 325 . 1 1 38 38 ARG HB2 H 1 1.8800 . . . . . . . 603 . . . 5391 1 326 . 1 1 38 38 ARG HB3 H 1 1.8300 . . . . . . . 603 . . . 5391 1 327 . 1 1 38 38 ARG CG C 13 27.0700 . . . . . . . 603 . . . 5391 1 328 . 1 1 38 38 ARG HG2 H 1 1.7500 . . . . . . . 603 . . . 5391 1 329 . 1 1 38 38 ARG HG3 H 1 1.8200 . . . . . . . 603 . . . 5391 1 330 . 1 1 38 38 ARG CD C 13 42.8400 . . . . . . . 603 . . . 5391 1 331 . 1 1 38 38 ARG HD2 H 1 3.3000 . . . . . . . 603 . . . 5391 1 332 . 1 1 38 38 ARG HD3 H 1 3.1100 . . . . . . . 603 . . . 5391 1 333 . 1 1 39 39 LYS N N 15 122.1100 . . . . . . . 604 . . . 5391 1 334 . 1 1 39 39 LYS H H 1 7.6200 . . . . . . . 604 . . . 5391 1 335 . 1 1 39 39 LYS C C 13 178.300 . . . . . . . 604 . . . 5391 1 336 . 1 1 39 39 LYS CA C 13 59.0100 . . . . . . . 604 . . . 5391 1 337 . 1 1 39 39 LYS HA H 1 4.0300 . . . . . . . 604 . . . 5391 1 338 . 1 1 39 39 LYS CB C 13 31.4600 . . . . . . . 604 . . . 5391 1 339 . 1 1 39 39 LYS HB2 H 1 1.9900 . . . . . . . 604 . . . 5391 1 340 . 1 1 39 39 LYS CG C 13 25.3100 . . . . . . . 604 . . . 5391 1 341 . 1 1 39 39 LYS HG2 H 1 1.6700 . . . . . . . 604 . . . 5391 1 342 . 1 1 39 39 LYS HG3 H 1 1.6100 . . . . . . . 604 . . . 5391 1 343 . 1 1 39 39 LYS CD C 13 29.0500 . . . . . . . 604 . . . 5391 1 344 . 1 1 39 39 LYS HD2 H 1 1.4600 . . . . . . . 604 . . . 5391 1 345 . 1 1 39 39 LYS HD3 H 1 1.4600 . . . . . . . 604 . . . 5391 1 346 . 1 1 40 40 LEU N N 15 118.0000 . . . . . . . 605 . . . 5391 1 347 . 1 1 40 40 LEU H H 1 7.5300 . . . . . . . 605 . . . 5391 1 348 . 1 1 40 40 LEU C C 13 176.400 . . . . . . . 605 . . . 5391 1 349 . 1 1 40 40 LEU CA C 13 55.0100 . . . . . . . 605 . . . 5391 1 350 . 1 1 40 40 LEU HA H 1 4.2200 . . . . . . . 605 . . . 5391 1 351 . 1 1 40 40 LEU CB C 13 42.0700 . . . . . . . 605 . . . 5391 1 352 . 1 1 40 40 LEU HB2 H 1 1.9700 . . . . . . . 605 . . . 5391 1 353 . 1 1 40 40 LEU HB3 H 1 1.5900 . . . . . . . 605 . . . 5391 1 354 . 1 1 40 40 LEU CG C 13 25.8300 . . . . . . . 605 . . . 5391 1 355 . 1 1 40 40 LEU HG H 1 1.8900 . . . . . . . 605 . . . 5391 1 356 . 1 1 40 40 LEU CD1 C 13 25.8300 . . . . . . . 605 . . . 5391 1 357 . 1 1 40 40 LEU HD11 H 1 0.7500 . . . . . . . 605 . . . 5391 1 358 . 1 1 40 40 LEU HD12 H 1 0.7500 . . . . . . . 605 . . . 5391 1 359 . 1 1 40 40 LEU HD13 H 1 0.7500 . . . . . . . 605 . . . 5391 1 360 . 1 1 40 40 LEU CD2 C 13 22.3800 . . . . . . . 605 . . . 5391 1 361 . 1 1 40 40 LEU HD21 H 1 0.8300 . . . . . . . 605 . . . 5391 1 362 . 1 1 40 40 LEU HD22 H 1 0.8300 . . . . . . . 605 . . . 5391 1 363 . 1 1 40 40 LEU HD23 H 1 0.8300 . . . . . . . 605 . . . 5391 1 364 . 1 1 41 41 GLY N N 15 105.4900 . . . . . . . 606 . . . 5391 1 365 . 1 1 41 41 GLY H H 1 7.6700 . . . . . . . 606 . . . 5391 1 366 . 1 1 41 41 GLY C C 13 174.700 . . . . . . . 606 . . . 5391 1 367 . 1 1 41 41 GLY CA C 13 44.7800 . . . . . . . 606 . . . 5391 1 368 . 1 1 41 41 GLY HA2 H 1 4.1500 . . . . . . . 606 . . . 5391 1 369 . 1 1 41 41 GLY HA3 H 1 3.6000 . . . . . . . 606 . . . 5391 1 370 . 1 1 42 42 PHE N N 15 120.0800 . . . . . . . 607 . . . 5391 1 371 . 1 1 42 42 PHE H H 1 7.9200 . . . . . . . 607 . . . 5391 1 372 . 1 1 42 42 PHE C C 13 176.500 . . . . . . . 607 . . . 5391 1 373 . 1 1 42 42 PHE CA C 13 57.9400 . . . . . . . 607 . . . 5391 1 374 . 1 1 42 42 PHE HA H 1 4.7100 . . . . . . . 607 . . . 5391 1 375 . 1 1 42 42 PHE CB C 13 39.0100 . . . . . . . 607 . . . 5391 1 376 . 1 1 42 42 PHE HB2 H 1 2.8800 . . . . . . . 607 . . . 5391 1 377 . 1 1 42 42 PHE HB3 H 1 2.4400 . . . . . . . 607 . . . 5391 1 378 . 1 1 42 42 PHE HD1 H 1 7.2400 . . . . . . . 607 . . . 5391 1 379 . 1 1 42 42 PHE HD2 H 1 7.2400 . . . . . . . 607 . . . 5391 1 380 . 1 1 42 42 PHE HE1 H 1 7.1900 . . . . . . . 607 . . . 5391 1 381 . 1 1 42 42 PHE HE2 H 1 7.1900 . . . . . . . 607 . . . 5391 1 382 . 1 1 42 42 PHE HZ H 1 6.8900 . . . . . . . 607 . . . 5391 1 383 . 1 1 43 43 THR N N 15 112.9200 . . . . . . . 608 . . . 5391 1 384 . 1 1 43 43 THR H H 1 8.6500 . . . . . . . 608 . . . 5391 1 385 . 1 1 43 43 THR C C 13 175.400 . . . . . . . 608 . . . 5391 1 386 . 1 1 43 43 THR CA C 13 59.8900 . . . . . . . 608 . . . 5391 1 387 . 1 1 43 43 THR HA H 1 4.4600 . . . . . . . 608 . . . 5391 1 388 . 1 1 43 43 THR CB C 13 70.6700 . . . . . . . 608 . . . 5391 1 389 . 1 1 43 43 THR HB H 1 4.7600 . . . . . . . 608 . . . 5391 1 390 . 1 1 43 43 THR CG2 C 13 21.9300 . . . . . . . 608 . . . 5391 1 391 . 1 1 43 43 THR HG21 H 1 1.2900 . . . . . . . 608 . . . 5391 1 392 . 1 1 43 43 THR HG22 H 1 1.2900 . . . . . . . 608 . . . 5391 1 393 . 1 1 43 43 THR HG23 H 1 1.2900 . . . . . . . 608 . . . 5391 1 394 . 1 1 44 44 GLN N N 15 121.3400 . . . . . . . 609 . . . 5391 1 395 . 1 1 44 44 GLN H H 1 9.0100 . . . . . . . 609 . . . 5391 1 396 . 1 1 44 44 GLN C C 13 177.600 . . . . . . . 609 . . . 5391 1 397 . 1 1 44 44 GLN CA C 13 58.9600 . . . . . . . 609 . . . 5391 1 398 . 1 1 44 44 GLN HA H 1 3.8700 . . . . . . . 609 . . . 5391 1 399 . 1 1 44 44 GLN CB C 13 28.0100 . . . . . . . 609 . . . 5391 1 400 . 1 1 44 44 GLN HB2 H 1 2.2600 . . . . . . . 609 . . . 5391 1 401 . 1 1 44 44 GLN HB3 H 1 2.1100 . . . . . . . 609 . . . 5391 1 402 . 1 1 44 44 GLN CG C 13 33.3900 . . . . . . . 609 . . . 5391 1 403 . 1 1 44 44 GLN HG2 H 1 2.4600 . . . . . . . 609 . . . 5391 1 404 . 1 1 44 44 GLN HG3 H 1 2.3100 . . . . . . . 609 . . . 5391 1 405 . 1 1 44 44 GLN HE21 H 1 7.56 . . . . . . . 609 . . . 5391 1 406 . 1 1 44 44 GLN HE22 H 1 6.28 . . . . . . . 609 . . . 5391 1 407 . 1 1 45 45 SER N N 15 112.7200 . . . . . . . 610 . . . 5391 1 408 . 1 1 45 45 SER H H 1 8.4100 . . . . . . . 610 . . . 5391 1 409 . 1 1 45 45 SER C C 13 177.700 . . . . . . . 610 . . . 5391 1 410 . 1 1 45 45 SER CA C 13 61.1800 . . . . . . . 610 . . . 5391 1 411 . 1 1 45 45 SER HA H 1 4.3300 . . . . . . . 610 . . . 5391 1 412 . 1 1 45 45 SER CB C 13 62.3800 . . . . . . . 610 . . . 5391 1 413 . 1 1 45 45 SER HB2 H 1 3.9500 . . . . . . . 610 . . . 5391 1 414 . 1 1 46 46 GLN N N 15 121.8600 . . . . . . . 611 . . . 5391 1 415 . 1 1 46 46 GLN H H 1 7.6100 . . . . . . . 611 . . . 5391 1 416 . 1 1 46 46 GLN HA H 1 4.2300 . . . . . . . 611 . . . 5391 1 417 . 1 1 46 46 GLN HB2 H 1 2.6900 . . . . . . . 611 . . . 5391 1 418 . 1 1 47 47 ILE N N 15 121.4400 . . . . . . . 612 . . . 5391 1 419 . 1 1 47 47 ILE H H 1 8.1500 . . . . . . . 612 . . . 5391 1 420 . 1 1 47 47 ILE CA C 13 65.7900 . . . . . . . 612 . . . 5391 1 421 . 1 1 47 47 ILE HA H 1 3.3100 . . . . . . . 612 . . . 5391 1 422 . 1 1 47 47 ILE CB C 13 38.1000 . . . . . . . 612 . . . 5391 1 423 . 1 1 47 47 ILE HB H 1 1.8100 . . . . . . . 612 . . . 5391 1 424 . 1 1 47 47 ILE HG12 H 1 1.6000 . . . . . . . 612 . . . 5391 1 425 . 1 1 47 47 ILE HG13 H 1 1.8000 . . . . . . . 612 . . . 5391 1 426 . 1 1 47 47 ILE CG2 C 13 16.7300 . . . . . . . 612 . . . 5391 1 427 . 1 1 47 47 ILE HG21 H 1 0.3200 . . . . . . . 612 . . . 5391 1 428 . 1 1 47 47 ILE HG22 H 1 0.3200 . . . . . . . 612 . . . 5391 1 429 . 1 1 47 47 ILE HG23 H 1 0.3200 . . . . . . . 612 . . . 5391 1 430 . 1 1 47 47 ILE CD1 C 13 13.5000 . . . . . . . 612 . . . 5391 1 431 . 1 1 47 47 ILE HD11 H 1 0.4500 . . . . . . . 612 . . . 5391 1 432 . 1 1 47 47 ILE HD12 H 1 0.4500 . . . . . . . 612 . . . 5391 1 433 . 1 1 47 47 ILE HD13 H 1 0.4500 . . . . . . . 612 . . . 5391 1 434 . 1 1 48 48 ASP CA C 13 57.6600 . . . . . . . 613 . . . 5391 1 435 . 1 1 48 48 ASP HA H 1 4.6600 . . . . . . . 613 . . . 5391 1 436 . 1 1 48 48 ASP CB C 13 39.8500 . . . . . . . 613 . . . 5391 1 437 . 1 1 48 48 ASP HB2 H 1 2.7300 . . . . . . . 613 . . . 5391 1 438 . 1 1 49 49 GLU N N 15 124.9600 . . . . . . . 614 . . . 5391 1 439 . 1 1 49 49 GLU H H 1 8.1700 . . . . . . . 614 . . . 5391 1 440 . 1 1 49 49 GLU CA C 13 59.5800 . . . . . . . 614 . . . 5391 1 441 . 1 1 49 49 GLU HA H 1 4.0500 . . . . . . . 614 . . . 5391 1 442 . 1 1 49 49 GLU CB C 13 29.3500 . . . . . . . 614 . . . 5391 1 443 . 1 1 49 49 GLU HB2 H 1 2.4300 . . . . . . . 614 . . . 5391 1 444 . 1 1 49 49 GLU HB3 H 1 2.2400 . . . . . . . 614 . . . 5391 1 445 . 1 1 49 49 GLU CG C 13 35.0900 . . . . . . . 614 . . . 5391 1 446 . 1 1 49 49 GLU HG2 H 1 2.5400 . . . . . . . 614 . . . 5391 1 447 . 1 1 50 50 ILE N N 15 120.8300 . . . . . . . 615 . . . 5391 1 448 . 1 1 50 50 ILE H H 1 8.1100 . . . . . . . 615 . . . 5391 1 449 . 1 1 50 50 ILE C C 13 177.100 . . . . . . . 615 . . . 5391 1 450 . 1 1 50 50 ILE CA C 13 65.6800 . . . . . . . 615 . . . 5391 1 451 . 1 1 50 50 ILE HA H 1 3.5200 . . . . . . . 615 . . . 5391 1 452 . 1 1 50 50 ILE CB C 13 37.0400 . . . . . . . 615 . . . 5391 1 453 . 1 1 50 50 ILE HB H 1 1.9000 . . . . . . . 615 . . . 5391 1 454 . 1 1 50 50 ILE HG12 H 1 0.7700 . . . . . . . 615 . . . 5391 1 455 . 1 1 50 50 ILE HG13 H 1 0.7700 . . . . . . . 615 . . . 5391 1 456 . 1 1 50 50 ILE CG2 C 13 17.0000 . . . . . . . 615 . . . 5391 1 457 . 1 1 50 50 ILE HG21 H 1 0.4700 . . . . . . . 615 . . . 5391 1 458 . 1 1 50 50 ILE HG22 H 1 0.4700 . . . . . . . 615 . . . 5391 1 459 . 1 1 50 50 ILE HG23 H 1 0.4700 . . . . . . . 615 . . . 5391 1 460 . 1 1 50 50 ILE CD1 C 13 12.9900 . . . . . . . 615 . . . 5391 1 461 . 1 1 50 50 ILE HD11 H 1 0.5000 . . . . . . . 615 . . . 5391 1 462 . 1 1 50 50 ILE HD12 H 1 0.5000 . . . . . . . 615 . . . 5391 1 463 . 1 1 50 50 ILE HD13 H 1 0.5000 . . . . . . . 615 . . . 5391 1 464 . 1 1 51 51 ASP N N 15 118.0000 . . . . . . . 616 . . . 5391 1 465 . 1 1 51 51 ASP H H 1 7.4500 . . . . . . . 616 . . . 5391 1 466 . 1 1 51 51 ASP C C 13 178.300 . . . . . . . 616 . . . 5391 1 467 . 1 1 51 51 ASP CA C 13 58.4200 . . . . . . . 616 . . . 5391 1 468 . 1 1 51 51 ASP HA H 1 4.2500 . . . . . . . 616 . . . 5391 1 469 . 1 1 51 51 ASP CB C 13 42.5700 . . . . . . . 616 . . . 5391 1 470 . 1 1 51 51 ASP HB2 H 1 2.8500 . . . . . . . 616 . . . 5391 1 471 . 1 1 51 51 ASP HB3 H 1 2.6800 . . . . . . . 616 . . . 5391 1 472 . 1 1 52 52 HIS N N 15 116.7100 . . . . . . . 617 . . . 5391 1 473 . 1 1 52 52 HIS H H 1 8.5300 . . . . . . . 617 . . . 5391 1 474 . 1 1 52 52 HIS C C 13 177.500 . . . . . . . 617 . . . 5391 1 475 . 1 1 52 52 HIS CA C 13 58.1000 . . . . . . . 617 . . . 5391 1 476 . 1 1 52 52 HIS HA H 1 4.5100 . . . . . . . 617 . . . 5391 1 477 . 1 1 52 52 HIS CB C 13 27.4400 . . . . . . . 617 . . . 5391 1 478 . 1 1 52 52 HIS HB2 H 1 3.5300 . . . . . . . 617 . . . 5391 1 479 . 1 1 52 52 HIS HD2 H 1 7.4400 . . . . . . . 617 . . . 5391 1 480 . 1 1 52 52 HIS HE1 H 1 8.6300 . . . . . . . 617 . . . 5391 1 481 . 1 1 53 53 ASP N N 15 123.1400 . . . . . . . 618 . . . 5391 1 482 . 1 1 53 53 ASP H H 1 8.7200 . . . . . . . 618 . . . 5391 1 483 . 1 1 53 53 ASP C C 13 177.400 . . . . . . . 618 . . . 5391 1 484 . 1 1 53 53 ASP CA C 13 56.2300 . . . . . . . 618 . . . 5391 1 485 . 1 1 53 53 ASP HA H 1 4.5100 . . . . . . . 618 . . . 5391 1 486 . 1 1 53 53 ASP CB C 13 36.7500 . . . . . . . 618 . . . 5391 1 487 . 1 1 53 53 ASP HB2 H 1 3.6000 . . . . . . . 618 . . . 5391 1 488 . 1 1 53 53 ASP HB3 H 1 3.2000 . . . . . . . 618 . . . 5391 1 489 . 1 1 54 54 TYR N N 15 121.3400 . . . . . . . 619 . . . 5391 1 490 . 1 1 54 54 TYR H H 1 8.9300 . . . . . . . 619 . . . 5391 1 491 . 1 1 54 54 TYR C C 13 180.200 . . . . . . . 619 . . . 5391 1 492 . 1 1 54 54 TYR CA C 13 58.2700 . . . . . . . 619 . . . 5391 1 493 . 1 1 54 54 TYR HA H 1 3.9000 . . . . . . . 619 . . . 5391 1 494 . 1 1 54 54 TYR CB C 13 37.5400 . . . . . . . 619 . . . 5391 1 495 . 1 1 54 54 TYR HB2 H 1 3.7500 . . . . . . . 619 . . . 5391 1 496 . 1 1 54 54 TYR HB3 H 1 2.6000 . . . . . . . 619 . . . 5391 1 497 . 1 1 54 54 TYR CD1 C 13 129.5400 . . . . . . . 619 . . . 5391 1 498 . 1 1 54 54 TYR CD2 C 13 129.5400 . . . . . . . 619 . . . 5391 1 499 . 1 1 54 54 TYR HD1 H 1 6.1900 . . . . . . . 619 . . . 5391 1 500 . 1 1 54 54 TYR HD2 H 1 6.1900 . . . . . . . 619 . . . 5391 1 501 . 1 1 54 54 TYR CE1 C 13 117.5700 . . . . . . . 619 . . . 5391 1 502 . 1 1 54 54 TYR CE2 C 13 117.5700 . . . . . . . 619 . . . 5391 1 503 . 1 1 54 54 TYR HE1 H 1 6.0500 . . . . . . . 619 . . . 5391 1 504 . 1 1 54 54 TYR HE2 H 1 6.0500 . . . . . . . 619 . . . 5391 1 505 . 1 1 55 55 GLU N N 15 119.5300 . . . . . . . 620 . . . 5391 1 506 . 1 1 55 55 GLU H H 1 8.1200 . . . . . . . 620 . . . 5391 1 507 . 1 1 55 55 GLU C C 13 179.500 . . . . . . . 620 . . . 5391 1 508 . 1 1 55 55 GLU CA C 13 58.8200 . . . . . . . 620 . . . 5391 1 509 . 1 1 55 55 GLU HA H 1 4.3500 . . . . . . . 620 . . . 5391 1 510 . 1 1 55 55 GLU CB C 13 28.9600 . . . . . . . 620 . . . 5391 1 511 . 1 1 55 55 GLU HB2 H 1 2.3900 . . . . . . . 620 . . . 5391 1 512 . 1 1 55 55 GLU HB3 H 1 2.2400 . . . . . . . 620 . . . 5391 1 513 . 1 1 55 55 GLU CG C 13 35.8400 . . . . . . . 620 . . . 5391 1 514 . 1 1 55 55 GLU HG2 H 1 2.5100 . . . . . . . 620 . . . 5391 1 515 . 1 1 55 55 GLU HG3 H 1 2.37 . . . . . . . 620 . . . 5391 1 516 . 1 1 56 56 ARG N N 15 123.5000 . . . . . . . 621 . . . 5391 1 517 . 1 1 56 56 ARG H H 1 8.7600 . . . . . . . 621 . . . 5391 1 518 . 1 1 56 56 ARG C C 13 177.900 . . . . . . . 621 . . . 5391 1 519 . 1 1 56 56 ARG CA C 13 58.8600 . . . . . . . 621 . . . 5391 1 520 . 1 1 56 56 ARG HA H 1 4.0800 . . . . . . . 621 . . . 5391 1 521 . 1 1 56 56 ARG CB C 13 30.0400 . . . . . . . 621 . . . 5391 1 522 . 1 1 56 56 ARG HB2 H 1 2.2100 . . . . . . . 621 . . . 5391 1 523 . 1 1 56 56 ARG HB3 H 1 1.9400 . . . . . . . 621 . . . 5391 1 524 . 1 1 56 56 ARG CG C 13 26.0900 . . . . . . . 621 . . . 5391 1 525 . 1 1 56 56 ARG HG2 H 1 1.65 . . . . . . . 621 . . . 5391 1 526 . 1 1 56 56 ARG HG3 H 1 1.89 . . . . . . . 621 . . . 5391 1 527 . 1 1 56 56 ARG CD C 13 43.5900 . . . . . . . 621 . . . 5391 1 528 . 1 1 56 56 ARG HD2 H 1 3.40 . . . . . . . 621 . . . 5391 1 529 . 1 1 56 56 ARG HD3 H 1 3.19 . . . . . . . 621 . . . 5391 1 530 . 1 1 57 57 ASP N N 15 115.9400 . . . . . . . 622 . . . 5391 1 531 . 1 1 57 57 ASP H H 1 7.7100 . . . . . . . 622 . . . 5391 1 532 . 1 1 57 57 ASP C C 13 176.200 . . . . . . . 622 . . . 5391 1 533 . 1 1 57 57 ASP CA C 13 53.7700 . . . . . . . 622 . . . 5391 1 534 . 1 1 57 57 ASP HA H 1 4.9800 . . . . . . . 622 . . . 5391 1 535 . 1 1 57 57 ASP CB C 13 40.2800 . . . . . . . 622 . . . 5391 1 536 . 1 1 57 57 ASP HB2 H 1 3.1300 . . . . . . . 622 . . . 5391 1 537 . 1 1 57 57 ASP HB3 H 1 2.8000 . . . . . . . 622 . . . 5391 1 538 . 1 1 58 58 GLY N N 15 109.7600 . . . . . . . 623 . . . 5391 1 539 . 1 1 58 58 GLY H H 1 7.8800 . . . . . . . 623 . . . 5391 1 540 . 1 1 58 58 GLY CA C 13 46.7100 . . . . . . . 623 . . . 5391 1 541 . 1 1 58 58 GLY HA2 H 1 4.2200 . . . . . . . 623 . . . 5391 1 542 . 1 1 58 58 GLY HA3 H 1 3.9800 . . . . . . . 623 . . . 5391 1 543 . 1 1 59 59 LEU N N 15 119.6400 . . . . . . . 624 . . . 5391 1 544 . 1 1 59 59 LEU H H 1 7.9300 . . . . . . . 624 . . . 5391 1 545 . 1 1 59 59 LEU C C 13 178.400 . . . . . . . 624 . . . 5391 1 546 . 1 1 59 59 LEU CA C 13 58.1800 . . . . . . . 624 . . . 5391 1 547 . 1 1 59 59 LEU HA H 1 3.7000 . . . . . . . 624 . . . 5391 1 548 . 1 1 59 59 LEU CB C 13 42.1700 . . . . . . . 624 . . . 5391 1 549 . 1 1 59 59 LEU HB2 H 1 0.7900 . . . . . . . 624 . . . 5391 1 550 . 1 1 59 59 LEU CG C 13 26.56 . . . . . . . 624 . . . 5391 1 551 . 1 1 59 59 LEU HG H 1 0.8700 . . . . . . . 624 . . . 5391 1 552 . 1 1 59 59 LEU CD1 C 13 22.65 . . . . . . . 624 . . . 5391 1 553 . 1 1 59 59 LEU HD11 H 1 -0.14 . . . . . . . 624 . . . 5391 1 554 . 1 1 59 59 LEU HD12 H 1 -0.14 . . . . . . . 624 . . . 5391 1 555 . 1 1 59 59 LEU HD13 H 1 -0.14 . . . . . . . 624 . . . 5391 1 556 . 1 1 59 59 LEU CD2 C 13 22.77 . . . . . . . 624 . . . 5391 1 557 . 1 1 59 59 LEU HD21 H 1 -0.17 . . . . . . . 624 . . . 5391 1 558 . 1 1 59 59 LEU HD22 H 1 -0.17 . . . . . . . 624 . . . 5391 1 559 . 1 1 59 59 LEU HD23 H 1 -0.17 . . . . . . . 624 . . . 5391 1 560 . 1 1 60 60 LYS N N 15 114.9300 . . . . . . . 625 . . . 5391 1 561 . 1 1 60 60 LYS H H 1 7.7600 . . . . . . . 625 . . . 5391 1 562 . 1 1 60 60 LYS C C 13 178.500 . . . . . . . 625 . . . 5391 1 563 . 1 1 60 60 LYS CA C 13 60.2200 . . . . . . . 625 . . . 5391 1 564 . 1 1 60 60 LYS HA H 1 3.6300 . . . . . . . 625 . . . 5391 1 565 . 1 1 60 60 LYS CB C 13 32.0900 . . . . . . . 625 . . . 5391 1 566 . 1 1 60 60 LYS HB2 H 1 1.9000 . . . . . . . 625 . . . 5391 1 567 . 1 1 60 60 LYS HB3 H 1 1.54 . . . . . . . 625 . . . 5391 1 568 . 1 1 61 61 GLU N N 15 119.8000 . . . . . . . 626 . . . 5391 1 569 . 1 1 61 61 GLU H H 1 7.7300 . . . . . . . 626 . . . 5391 1 570 . 1 1 61 61 GLU C C 13 178.00 . . . . . . . 626 . . . 5391 1 571 . 1 1 61 61 GLU CA C 13 58.5300 . . . . . . . 626 . . . 5391 1 572 . 1 1 61 61 GLU HA H 1 4.2000 . . . . . . . 626 . . . 5391 1 573 . 1 1 61 61 GLU CB C 13 28.47 . . . . . . . 626 . . . 5391 1 574 . 1 1 61 61 GLU HB2 H 1 2.0800 . . . . . . . 626 . . . 5391 1 575 . 1 1 61 61 GLU HB3 H 1 1.9700 . . . . . . . 626 . . . 5391 1 576 . 1 1 61 61 GLU CG C 13 34.67 . . . . . . . 626 . . . 5391 1 577 . 1 1 61 61 GLU HG2 H 1 2.4900 . . . . . . . 626 . . . 5391 1 578 . 1 1 61 61 GLU HG3 H 1 2.3400 . . . . . . . 626 . . . 5391 1 579 . 1 1 62 62 LYS N N 15 120.3100 . . . . . . . 627 . . . 5391 1 580 . 1 1 62 62 LYS H H 1 8.3900 . . . . . . . 627 . . . 5391 1 581 . 1 1 62 62 LYS C C 13 180.000 . . . . . . . 627 . . . 5391 1 582 . 1 1 62 62 LYS CA C 13 59.4700 . . . . . . . 627 . . . 5391 1 583 . 1 1 62 62 LYS HA H 1 4.0300 . . . . . . . 627 . . . 5391 1 584 . 1 1 62 62 LYS CB C 13 32.4100 . . . . . . . 627 . . . 5391 1 585 . 1 1 62 62 LYS HB2 H 1 1.8900 . . . . . . . 627 . . . 5391 1 586 . 1 1 62 62 LYS HB3 H 1 1.6500 . . . . . . . 627 . . . 5391 1 587 . 1 1 62 62 LYS CG C 13 25.7400 . . . . . . . 627 . . . 5391 1 588 . 1 1 62 62 LYS HG2 H 1 1.44 . . . . . . . 627 . . . 5391 1 589 . 1 1 62 62 LYS CE C 13 42.1300 . . . . . . . 627 . . . 5391 1 590 . 1 1 62 62 LYS HE2 H 1 3.0300 . . . . . . . 627 . . . 5391 1 591 . 1 1 62 62 LYS HE3 H 1 3.0300 . . . . . . . 627 . . . 5391 1 592 . 1 1 63 63 VAL N N 15 120.0600 . . . . . . . 628 . . . 5391 1 593 . 1 1 63 63 VAL H H 1 7.9100 . . . . . . . 628 . . . 5391 1 594 . 1 1 63 63 VAL CA C 13 66.7500 . . . . . . . 628 . . . 5391 1 595 . 1 1 63 63 VAL HA H 1 3.5100 . . . . . . . 628 . . . 5391 1 596 . 1 1 63 63 VAL CB C 13 31.2600 . . . . . . . 628 . . . 5391 1 597 . 1 1 63 63 VAL HB H 1 1.9800 . . . . . . . 628 . . . 5391 1 598 . 1 1 63 63 VAL CG1 C 13 23.1000 . . . . . . . 628 . . . 5391 1 599 . 1 1 63 63 VAL HG11 H 1 0.9700 . . . . . . . 628 . . . 5391 1 600 . 1 1 63 63 VAL HG12 H 1 0.9700 . . . . . . . 628 . . . 5391 1 601 . 1 1 63 63 VAL HG13 H 1 0.9700 . . . . . . . 628 . . . 5391 1 602 . 1 1 63 63 VAL CG2 C 13 23.10 . . . . . . . 628 . . . 5391 1 603 . 1 1 63 63 VAL HG21 H 1 0.7800 . . . . . . . 628 . . . 5391 1 604 . 1 1 63 63 VAL HG22 H 1 0.7800 . . . . . . . 628 . . . 5391 1 605 . 1 1 63 63 VAL HG23 H 1 0.7800 . . . . . . . 628 . . . 5391 1 606 . 1 1 64 64 TYR N N 15 120.8300 . . . . . . . 629 . . . 5391 1 607 . 1 1 64 64 TYR H H 1 8.2700 . . . . . . . 629 . . . 5391 1 608 . 1 1 64 64 TYR C C 13 177.0000 . . . . . . . 629 . . . 5391 1 609 . 1 1 64 64 TYR CA C 13 60.7700 . . . . . . . 629 . . . 5391 1 610 . 1 1 64 64 TYR HA H 1 4.0500 . . . . . . . 629 . . . 5391 1 611 . 1 1 64 64 TYR CB C 13 38.4900 . . . . . . . 629 . . . 5391 1 612 . 1 1 64 64 TYR HB2 H 1 3.3400 . . . . . . . 629 . . . 5391 1 613 . 1 1 64 64 TYR HB3 H 1 2.9800 . . . . . . . 629 . . . 5391 1 614 . 1 1 64 64 TYR CD1 C 13 133.0200 . . . . . . . 629 . . . 5391 1 615 . 1 1 64 64 TYR CD2 C 13 133.0200 . . . . . . . 629 . . . 5391 1 616 . 1 1 64 64 TYR HD1 H 1 7.1000 . . . . . . . 629 . . . 5391 1 617 . 1 1 64 64 TYR HD2 H 1 7.1000 . . . . . . . 629 . . . 5391 1 618 . 1 1 64 64 TYR CE1 C 13 118.7 . . . . . . . 629 . . . 5391 1 619 . 1 1 64 64 TYR CE2 C 13 118.7 . . . . . . . 629 . . . 5391 1 620 . 1 1 64 64 TYR HE1 H 1 6.8500 . . . . . . . 629 . . . 5391 1 621 . 1 1 64 64 TYR HE2 H 1 6.8500 . . . . . . . 629 . . . 5391 1 622 . 1 1 65 65 GLN N N 15 117.4900 . . . . . . . 630 . . . 5391 1 623 . 1 1 65 65 GLN H H 1 8.8400 . . . . . . . 630 . . . 5391 1 624 . 1 1 65 65 GLN CA C 13 58.7300 . . . . . . . 630 . . . 5391 1 625 . 1 1 65 65 GLN HA H 1 3.8500 . . . . . . . 630 . . . 5391 1 626 . 1 1 65 65 GLN CB C 13 27.7800 . . . . . . . 630 . . . 5391 1 627 . 1 1 65 65 GLN HB2 H 1 2.6700 . . . . . . . 630 . . . 5391 1 628 . 1 1 65 65 GLN HB3 H 1 2.5300 . . . . . . . 630 . . . 5391 1 629 . 1 1 65 65 GLN CG C 13 33.8800 . . . . . . . 630 . . . 5391 1 630 . 1 1 65 65 GLN HG2 H 1 2.6700 . . . . . . . 630 . . . 5391 1 631 . 1 1 65 65 GLN HG3 H 1 2.5300 . . . . . . . 630 . . . 5391 1 632 . 1 1 65 65 GLN NE2 N 15 111.8600 . . . . . . . 630 . . . 5391 1 633 . 1 1 65 65 GLN HE21 H 1 7.7500 . . . . . . . 630 . . . 5391 1 634 . 1 1 65 65 GLN HE22 H 1 7.7500 . . . . . . . 630 . . . 5391 1 635 . 1 1 66 66 MET N N 15 120.8300 . . . . . . . 631 . . . 5391 1 636 . 1 1 66 66 MET H H 1 7.8300 . . . . . . . 631 . . . 5391 1 637 . 1 1 66 66 MET CA C 13 59.3200 . . . . . . . 631 . . . 5391 1 638 . 1 1 66 66 MET HA H 1 4.0600 . . . . . . . 631 . . . 5391 1 639 . 1 1 66 66 MET CB C 13 32.4000 . . . . . . . 631 . . . 5391 1 640 . 1 1 66 66 MET HB2 H 1 2.2600 . . . . . . . 631 . . . 5391 1 641 . 1 1 66 66 MET HG2 H 1 2.4100 . . . . . . . 631 . . . 5391 1 642 . 1 1 66 66 MET HG3 H 1 2.7300 . . . . . . . 631 . . . 5391 1 643 . 1 1 66 66 MET CE C 13 16.9900 . . . . . . . 631 . . . 5391 1 644 . 1 1 66 66 MET HE1 H 1 1.92 . . . . . . . 631 . . . 5391 1 645 . 1 1 66 66 MET HE2 H 1 1.92 . . . . . . . 631 . . . 5391 1 646 . 1 1 66 66 MET HE3 H 1 1.92 . . . . . . . 631 . . . 5391 1 647 . 1 1 67 67 LEU N N 15 120.8300 . . . . . . . 632 . . . 5391 1 648 . 1 1 67 67 LEU H H 1 8.1200 . . . . . . . 632 . . . 5391 1 649 . 1 1 67 67 LEU C C 13 178.300 . . . . . . . 632 . . . 5391 1 650 . 1 1 67 67 LEU CA C 13 57.9800 . . . . . . . 632 . . . 5391 1 651 . 1 1 67 67 LEU HA H 1 4.0200 . . . . . . . 632 . . . 5391 1 652 . 1 1 67 67 LEU CB C 13 41.8300 . . . . . . . 632 . . . 5391 1 653 . 1 1 67 67 LEU HB2 H 1 1.7900 . . . . . . . 632 . . . 5391 1 654 . 1 1 67 67 LEU HB3 H 1 1.3500 . . . . . . . 632 . . . 5391 1 655 . 1 1 67 67 LEU HG H 1 1.6300 . . . . . . . 632 . . . 5391 1 656 . 1 1 67 67 LEU CD1 C 13 23.1100 . . . . . . . 632 . . . 5391 1 657 . 1 1 67 67 LEU HD11 H 1 0.4100 . . . . . . . 632 . . . 5391 1 658 . 1 1 67 67 LEU HD12 H 1 0.4100 . . . . . . . 632 . . . 5391 1 659 . 1 1 67 67 LEU HD13 H 1 0.4100 . . . . . . . 632 . . . 5391 1 660 . 1 1 67 67 LEU CD2 C 13 25.3600 . . . . . . . 632 . . . 5391 1 661 . 1 1 67 67 LEU HD21 H 1 0.6100 . . . . . . . 632 . . . 5391 1 662 . 1 1 67 67 LEU HD22 H 1 0.6100 . . . . . . . 632 . . . 5391 1 663 . 1 1 67 67 LEU HD23 H 1 0.6100 . . . . . . . 632 . . . 5391 1 664 . 1 1 68 68 GLN N N 15 118.5100 . . . . . . . 633 . . . 5391 1 665 . 1 1 68 68 GLN H H 1 8.5600 . . . . . . . 633 . . . 5391 1 666 . 1 1 68 68 GLN C C 13 177.6000 . . . . . . . 633 . . . 5391 1 667 . 1 1 68 68 GLN CA C 13 60.1500 . . . . . . . 633 . . . 5391 1 668 . 1 1 68 68 GLN HA H 1 3.6600 . . . . . . . 633 . . . 5391 1 669 . 1 1 68 68 GLN CB C 13 28.8900 . . . . . . . 633 . . . 5391 1 670 . 1 1 68 68 GLN HB2 H 1 1.9500 . . . . . . . 633 . . . 5391 1 671 . 1 1 68 68 GLN HB3 H 1 1.8000 . . . . . . . 633 . . . 5391 1 672 . 1 1 68 68 GLN CG C 13 34.3400 . . . . . . . 633 . . . 5391 1 673 . 1 1 68 68 GLN HG2 H 1 2.1200 . . . . . . . 633 . . . 5391 1 674 . 1 1 68 68 GLN HG3 H 1 1.8600 . . . . . . . 633 . . . 5391 1 675 . 1 1 68 68 GLN NE2 N 15 108.9300 . . . . . . . 633 . . . 5391 1 676 . 1 1 68 68 GLN HE21 H 1 6.60 . . . . . . . 633 . . . 5391 1 677 . 1 1 68 68 GLN HE22 H 1 5.95 . . . . . . . 633 . . . 5391 1 678 . 1 1 69 69 LYS N N 15 117.7400 . . . . . . . 634 . . . 5391 1 679 . 1 1 69 69 LYS H H 1 8.1800 . . . . . . . 634 . . . 5391 1 680 . 1 1 69 69 LYS C C 13 178.900 . . . . . . . 634 . . . 5391 1 681 . 1 1 69 69 LYS CA C 13 59.4400 . . . . . . . 634 . . . 5391 1 682 . 1 1 69 69 LYS HA H 1 3.9500 . . . . . . . 634 . . . 5391 1 683 . 1 1 69 69 LYS CB C 13 32.1500 . . . . . . . 634 . . . 5391 1 684 . 1 1 69 69 LYS HB2 H 1 1.9300 . . . . . . . 634 . . . 5391 1 685 . 1 1 69 69 LYS CG C 13 25.7200 . . . . . . . 634 . . . 5391 1 686 . 1 1 69 69 LYS HG2 H 1 1.4900 . . . . . . . 634 . . . 5391 1 687 . 1 1 69 69 LYS CE C 13 42.2100 . . . . . . . 634 . . . 5391 1 688 . 1 1 69 69 LYS HE2 H 1 3.0000 . . . . . . . 634 . . . 5391 1 689 . 1 1 69 69 LYS HE3 H 1 3.0000 . . . . . . . 634 . . . 5391 1 690 . 1 1 70 70 TRP N N 15 121.8600 . . . . . . . 635 . . . 5391 1 691 . 1 1 70 70 TRP H H 1 7.9400 . . . . . . . 635 . . . 5391 1 692 . 1 1 70 70 TRP C C 13 177.5000 . . . . . . . 635 . . . 5391 1 693 . 1 1 70 70 TRP CA C 13 62.5700 . . . . . . . 635 . . . 5391 1 694 . 1 1 70 70 TRP HA H 1 4.0700 . . . . . . . 635 . . . 5391 1 695 . 1 1 70 70 TRP CB C 13 28.8300 . . . . . . . 635 . . . 5391 1 696 . 1 1 70 70 TRP HB2 H 1 3.5800 . . . . . . . 635 . . . 5391 1 697 . 1 1 70 70 TRP HB3 H 1 3.2500 . . . . . . . 635 . . . 5391 1 698 . 1 1 70 70 TRP CD1 C 13 126.8900 . . . . . . . 635 . . . 5391 1 699 . 1 1 70 70 TRP HD1 H 1 7.2700 . . . . . . . 635 . . . 5391 1 700 . 1 1 70 70 TRP NE1 N 15 131.7500 . . . . . . . 635 . . . 5391 1 701 . 1 1 70 70 TRP HE1 H 1 11.2300 . . . . . . . 635 . . . 5391 1 702 . 1 1 70 70 TRP CZ2 C 13 113.3400 . . . . . . . 635 . . . 5391 1 703 . 1 1 70 70 TRP HZ2 H 1 7.2800 . . . . . . . 635 . . . 5391 1 704 . 1 1 70 70 TRP HZ3 H 1 6.8800 . . . . . . . 635 . . . 5391 1 705 . 1 1 70 70 TRP HE3 H 1 7.5200 . . . . . . . 635 . . . 5391 1 706 . 1 1 70 70 TRP CH2 C 13 123.200 . . . . . . . 635 . . . 5391 1 707 . 1 1 70 70 TRP HH2 H 1 7.0600 . . . . . . . 635 . . . 5391 1 708 . 1 1 71 71 VAL N N 15 119.2200 . . . . . . . 636 . . . 5391 1 709 . 1 1 71 71 VAL H H 1 8.7800 . . . . . . . 636 . . . 5391 1 710 . 1 1 71 71 VAL C C 13 178.1000 . . . . . . . 636 . . . 5391 1 711 . 1 1 71 71 VAL CA C 13 66.2700 . . . . . . . 636 . . . 5391 1 712 . 1 1 71 71 VAL HA H 1 3.2400 . . . . . . . 636 . . . 5391 1 713 . 1 1 71 71 VAL CB C 13 31.4700 . . . . . . . 636 . . . 5391 1 714 . 1 1 71 71 VAL HB H 1 2.3500 . . . . . . . 636 . . . 5391 1 715 . 1 1 71 71 VAL CG2 C 13 23.3100 . . . . . . . 636 . . . 5391 1 716 . 1 1 71 71 VAL HG21 H 1 1.4300 . . . . . . . 636 . . . 5391 1 717 . 1 1 71 71 VAL HG22 H 1 1.4300 . . . . . . . 636 . . . 5391 1 718 . 1 1 71 71 VAL HG23 H 1 1.4300 . . . . . . . 636 . . . 5391 1 719 . 1 1 71 71 VAL CG1 C 13 22.5100 . . . . . . . 636 . . . 5391 1 720 . 1 1 71 71 VAL HG11 H 1 0.9900 . . . . . . . 636 . . . 5391 1 721 . 1 1 71 71 VAL HG12 H 1 0.9900 . . . . . . . 636 . . . 5391 1 722 . 1 1 71 71 VAL HG13 H 1 0.9900 . . . . . . . 636 . . . 5391 1 723 . 1 1 72 72 MET N N 15 115.9400 . . . . . . . 637 . . . 5391 1 724 . 1 1 72 72 MET H H 1 8.2000 . . . . . . . 637 . . . 5391 1 725 . 1 1 72 72 MET C C 13 178.700 . . . . . . . 637 . . . 5391 1 726 . 1 1 72 72 MET CA C 13 57.7000 . . . . . . . 637 . . . 5391 1 727 . 1 1 72 72 MET HA H 1 4.1200 . . . . . . . 637 . . . 5391 1 728 . 1 1 72 72 MET CB C 13 31.6900 . . . . . . . 637 . . . 5391 1 729 . 1 1 72 72 MET HB2 H 1 2.0800 . . . . . . . 637 . . . 5391 1 730 . 1 1 72 72 MET CG C 13 32.36 . . . . . . . 637 . . . 5391 1 731 . 1 1 72 72 MET HG2 H 1 2.7700 . . . . . . . 637 . . . 5391 1 732 . 1 1 72 72 MET HG3 H 1 2.6500 . . . . . . . 637 . . . 5391 1 733 . 1 1 72 72 MET HE1 H 1 2.0900 . . . . . . . 637 . . . 5391 1 734 . 1 1 72 72 MET HE2 H 1 2.0900 . . . . . . . 637 . . . 5391 1 735 . 1 1 72 72 MET HE3 H 1 2.0900 . . . . . . . 637 . . . 5391 1 736 . 1 1 73 73 ARG N N 15 119.5400 . . . . . . . 638 . . . 5391 1 737 . 1 1 73 73 ARG H H 1 7.7700 . . . . . . . 638 . . . 5391 1 738 . 1 1 73 73 ARG C C 13 178.5000 . . . . . . . 638 . . . 5391 1 739 . 1 1 73 73 ARG CA C 13 58.4300 . . . . . . . 638 . . . 5391 1 740 . 1 1 73 73 ARG HA H 1 4.1000 . . . . . . . 638 . . . 5391 1 741 . 1 1 73 73 ARG CB C 13 30.2600 . . . . . . . 638 . . . 5391 1 742 . 1 1 73 73 ARG HB2 H 1 1.8600 . . . . . . . 638 . . . 5391 1 743 . 1 1 73 73 ARG HB3 H 1 1.6900 . . . . . . . 638 . . . 5391 1 744 . 1 1 73 73 ARG CG C 13 27.1900 . . . . . . . 638 . . . 5391 1 745 . 1 1 73 73 ARG HG2 H 1 1.4900 . . . . . . . 638 . . . 5391 1 746 . 1 1 73 73 ARG CD C 13 43.4700 . . . . . . . 638 . . . 5391 1 747 . 1 1 73 73 ARG HD2 H 1 3.1900 . . . . . . . 638 . . . 5391 1 748 . 1 1 73 73 ARG HD3 H 1 3.1900 . . . . . . . 638 . . . 5391 1 749 . 1 1 74 74 GLU N N 15 118.5100 . . . . . . . 639 . . . 5391 1 750 . 1 1 74 74 GLU H H 1 8.3400 . . . . . . . 639 . . . 5391 1 751 . 1 1 74 74 GLU C C 13 179.1000 . . . . . . . 639 . . . 5391 1 752 . 1 1 74 74 GLU CA C 13 56.7900 . . . . . . . 639 . . . 5391 1 753 . 1 1 74 74 GLU HA H 1 3.8800 . . . . . . . 639 . . . 5391 1 754 . 1 1 74 74 GLU CB C 13 28.0100 . . . . . . . 639 . . . 5391 1 755 . 1 1 74 74 GLU HB2 H 1 1.4500 . . . . . . . 639 . . . 5391 1 756 . 1 1 74 74 GLU HB3 H 1 0.9300 . . . . . . . 639 . . . 5391 1 757 . 1 1 74 74 GLU CG C 13 33.88 . . . . . . . 639 . . . 5391 1 758 . 1 1 74 74 GLU HG2 H 1 1.54 . . . . . . . 639 . . . 5391 1 759 . 1 1 74 74 GLU HG3 H 1 1.33 . . . . . . . 639 . . . 5391 1 760 . 1 1 75 75 GLY N N 15 108.8900 . . . . . . . 640 . . . 5391 1 761 . 1 1 75 75 GLY H H 1 8.3900 . . . . . . . 640 . . . 5391 1 762 . 1 1 75 75 GLY C C 13 174.1000 . . . . . . . 640 . . . 5391 1 763 . 1 1 75 75 GLY CA C 13 45.5200 . . . . . . . 640 . . . 5391 1 764 . 1 1 75 75 GLY HA2 H 1 3.8400 . . . . . . . 640 . . . 5391 1 765 . 1 1 75 75 GLY HA3 H 1 3.660 . . . . . . . 640 . . . 5391 1 766 . 1 1 76 76 ILE N N 15 117.23 . . . . . . . 641 . . . 5391 1 767 . 1 1 76 76 ILE H H 1 6.91 . . . . . . . 641 . . . 5391 1 768 . 1 1 76 76 ILE C C 13 176.7000 . . . . . . . 641 . . . 5391 1 769 . 1 1 76 76 ILE CA C 13 62.1500 . . . . . . . 641 . . . 5391 1 770 . 1 1 76 76 ILE HA H 1 4.0900 . . . . . . . 641 . . . 5391 1 771 . 1 1 76 76 ILE CB C 13 38.0600 . . . . . . . 641 . . . 5391 1 772 . 1 1 76 76 ILE HB H 1 1.9400 . . . . . . . 641 . . . 5391 1 773 . 1 1 76 76 ILE CG1 C 13 27.7100 . . . . . . . 641 . . . 5391 1 774 . 1 1 76 76 ILE HG12 H 1 1.5400 . . . . . . . 641 . . . 5391 1 775 . 1 1 76 76 ILE HG13 H 1 1.3000 . . . . . . . 641 . . . 5391 1 776 . 1 1 76 76 ILE CG2 C 13 17.6100 . . . . . . . 641 . . . 5391 1 777 . 1 1 76 76 ILE HG21 H 1 0.94 . . . . . . . 641 . . . 5391 1 778 . 1 1 76 76 ILE HG22 H 1 0.94 . . . . . . . 641 . . . 5391 1 779 . 1 1 76 76 ILE HG23 H 1 0.94 . . . . . . . 641 . . . 5391 1 780 . 1 1 76 76 ILE CD1 C 13 13.4300 . . . . . . . 641 . . . 5391 1 781 . 1 1 76 76 ILE HD11 H 1 0.9100 . . . . . . . 641 . . . 5391 1 782 . 1 1 76 76 ILE HD12 H 1 0.9100 . . . . . . . 641 . . . 5391 1 783 . 1 1 76 76 ILE HD13 H 1 0.9100 . . . . . . . 641 . . . 5391 1 784 . 1 1 77 77 LYS N N 15 118.6100 . . . . . . . 642 . . . 5391 1 785 . 1 1 77 77 LYS H H 1 7.5400 . . . . . . . 642 . . . 5391 1 786 . 1 1 77 77 LYS C C 13 176.7000 . . . . . . . 642 . . . 5391 1 787 . 1 1 77 77 LYS CA C 13 56.4100 . . . . . . . 642 . . . 5391 1 788 . 1 1 77 77 LYS HA H 1 4.2900 . . . . . . . 642 . . . 5391 1 789 . 1 1 77 77 LYS CB C 13 32.8000 . . . . . . . 642 . . . 5391 1 790 . 1 1 77 77 LYS HB2 H 1 1.9800 . . . . . . . 642 . . . 5391 1 791 . 1 1 77 77 LYS HB3 H 1 1.8400 . . . . . . . 642 . . . 5391 1 792 . 1 1 77 77 LYS CG C 13 25.2000 . . . . . . . 642 . . . 5391 1 793 . 1 1 77 77 LYS HG2 H 1 1.4100 . . . . . . . 642 . . . 5391 1 794 . 1 1 77 77 LYS CD C 13 29.1700 . . . . . . . 642 . . . 5391 1 795 . 1 1 77 77 LYS HD2 H 1 1.4100 . . . . . . . 642 . . . 5391 1 796 . 1 1 77 77 LYS HD3 H 1 1.4100 . . . . . . . 642 . . . 5391 1 797 . 1 1 77 77 LYS CE C 13 42.1000 . . . . . . . 642 . . . 5391 1 798 . 1 1 77 77 LYS HE2 H 1 2.9400 . . . . . . . 642 . . . 5391 1 799 . 1 1 77 77 LYS HE3 H 1 2.9400 . . . . . . . 642 . . . 5391 1 800 . 1 1 78 78 GLY N N 15 107.1200 . . . . . . . 643 . . . 5391 1 801 . 1 1 78 78 GLY H H 1 7.5800 . . . . . . . 643 . . . 5391 1 802 . 1 1 78 78 GLY C C 13 173.5000 . . . . . . . 643 . . . 5391 1 803 . 1 1 78 78 GLY CA C 13 45.3100 . . . . . . . 643 . . . 5391 1 804 . 1 1 78 78 GLY HA2 H 1 4.1000 . . . . . . . 643 . . . 5391 1 805 . 1 1 79 79 ALA N N 15 124.9400 . . . . . . . 644 . . . 5391 1 806 . 1 1 79 79 ALA H H 1 8.5400 . . . . . . . 644 . . . 5391 1 807 . 1 1 79 79 ALA C C 13 179.3000 . . . . . . . 644 . . . 5391 1 808 . 1 1 79 79 ALA CA C 13 54.0400 . . . . . . . 644 . . . 5391 1 809 . 1 1 79 79 ALA HA H 1 4.2300 . . . . . . . 644 . . . 5391 1 810 . 1 1 79 79 ALA CB C 13 18.8100 . . . . . . . 644 . . . 5391 1 811 . 1 1 79 79 ALA HB1 H 1 1.5800 . . . . . . . 644 . . . 5391 1 812 . 1 1 79 79 ALA HB2 H 1 1.5800 . . . . . . . 644 . . . 5391 1 813 . 1 1 79 79 ALA HB3 H 1 1.5800 . . . . . . . 644 . . . 5391 1 814 . 1 1 80 80 THR N N 15 119.0900 . . . . . . . 645 . . . 5391 1 815 . 1 1 80 80 THR H H 1 8.5600 . . . . . . . 645 . . . 5391 1 816 . 1 1 80 80 THR C C 13 175.9000 . . . . . . . 645 . . . 5391 1 817 . 1 1 80 80 THR HA H 1 3.9600 . . . . . . . 645 . . . 5391 1 818 . 1 1 80 80 THR CB C 13 67.5600 . . . . . . . 645 . . . 5391 1 819 . 1 1 80 80 THR HB H 1 4.2000 . . . . . . . 645 . . . 5391 1 820 . 1 1 80 80 THR CG2 C 13 23.7300 . . . . . . . 645 . . . 5391 1 821 . 1 1 80 80 THR HG21 H 1 1.2500 . . . . . . . 645 . . . 5391 1 822 . 1 1 80 80 THR HG22 H 1 1.2500 . . . . . . . 645 . . . 5391 1 823 . 1 1 80 80 THR HG23 H 1 1.2500 . . . . . . . 645 . . . 5391 1 824 . 1 1 81 81 VAL N N 15 120.5700 . . . . . . . 646 . . . 5391 1 825 . 1 1 81 81 VAL H H 1 8.7300 . . . . . . . 646 . . . 5391 1 826 . 1 1 81 81 VAL C C 13 177.9000 . . . . . . . 646 . . . 5391 1 827 . 1 1 81 81 VAL CA C 13 65.9800 . . . . . . . 646 . . . 5391 1 828 . 1 1 81 81 VAL HA H 1 3.8100 . . . . . . . 646 . . . 5391 1 829 . 1 1 81 81 VAL CB C 13 30.5900 . . . . . . . 646 . . . 5391 1 830 . 1 1 81 81 VAL HB H 1 1.8800 . . . . . . . 646 . . . 5391 1 831 . 1 1 81 81 VAL CG1 C 13 24.4000 . . . . . . . 646 . . . 5391 1 832 . 1 1 81 81 VAL HG11 H 1 0.96 . . . . . . . 646 . . . 5391 1 833 . 1 1 81 81 VAL HG12 H 1 0.96 . . . . . . . 646 . . . 5391 1 834 . 1 1 81 81 VAL HG13 H 1 0.96 . . . . . . . 646 . . . 5391 1 835 . 1 1 81 81 VAL CG2 C 13 24.0200 . . . . . . . 646 . . . 5391 1 836 . 1 1 81 81 VAL HG21 H 1 1.1100 . . . . . . . 646 . . . 5391 1 837 . 1 1 81 81 VAL HG22 H 1 1.1100 . . . . . . . 646 . . . 5391 1 838 . 1 1 81 81 VAL HG23 H 1 1.1100 . . . . . . . 646 . . . 5391 1 839 . 1 1 82 82 GLY N N 15 110.3200 . . . . . . . 647 . . . 5391 1 840 . 1 1 82 82 GLY H H 1 8.1300 . . . . . . . 647 . . . 5391 1 841 . 1 1 82 82 GLY C C 13 176.100 . . . . . . . 647 . . . 5391 1 842 . 1 1 82 82 GLY CA C 13 47.8400 . . . . . . . 647 . . . 5391 1 843 . 1 1 82 82 GLY HA2 H 1 3.8700 . . . . . . . 647 . . . 5391 1 844 . 1 1 82 82 GLY HA3 H 1 3.66 . . . . . . . 647 . . . 5391 1 845 . 1 1 83 83 LYS N N 15 123.5400 . . . . . . . 648 . . . 5391 1 846 . 1 1 83 83 LYS H H 1 7.8600 . . . . . . . 648 . . . 5391 1 847 . 1 1 83 83 LYS C C 13 179.4000 . . . . . . . 648 . . . 5391 1 848 . 1 1 83 83 LYS CA C 13 59.1100 . . . . . . . 648 . . . 5391 1 849 . 1 1 83 83 LYS HA H 1 4.1900 . . . . . . . 648 . . . 5391 1 850 . 1 1 83 83 LYS CB C 13 31.8800 . . . . . . . 648 . . . 5391 1 851 . 1 1 83 83 LYS HB2 H 1 2.1400 . . . . . . . 648 . . . 5391 1 852 . 1 1 83 83 LYS HB3 H 1 2.0100 . . . . . . . 648 . . . 5391 1 853 . 1 1 83 83 LYS CG C 13 25.2100 . . . . . . . 648 . . . 5391 1 854 . 1 1 83 83 LYS HG2 H 1 1.4900 . . . . . . . 648 . . . 5391 1 855 . 1 1 83 83 LYS HG3 H 1 1.4900 . . . . . . . 648 . . . 5391 1 856 . 1 1 84 84 LEU N N 15 122.5900 . . . . . . . 649 . . . 5391 1 857 . 1 1 84 84 LEU H H 1 7.8800 . . . . . . . 649 . . . 5391 1 858 . 1 1 84 84 LEU C C 13 177.4000 . . . . . . . 649 . . . 5391 1 859 . 1 1 84 84 LEU CA C 13 57.8300 . . . . . . . 649 . . . 5391 1 860 . 1 1 84 84 LEU HA H 1 4.4200 . . . . . . . 649 . . . 5391 1 861 . 1 1 84 84 LEU CB C 13 41.1600 . . . . . . . 649 . . . 5391 1 862 . 1 1 84 84 LEU HB2 H 1 2.4200 . . . . . . . 649 . . . 5391 1 863 . 1 1 84 84 LEU HB3 H 1 1.5200 . . . . . . . 649 . . . 5391 1 864 . 1 1 84 84 LEU CD1 C 13 22.2000 . . . . . . . 649 . . . 5391 1 865 . 1 1 84 84 LEU HD11 H 1 1.0300 . . . . . . . 649 . . . 5391 1 866 . 1 1 84 84 LEU HD12 H 1 1.0300 . . . . . . . 649 . . . 5391 1 867 . 1 1 84 84 LEU HD13 H 1 1.0300 . . . . . . . 649 . . . 5391 1 868 . 1 1 84 84 LEU CD2 C 13 26.3200 . . . . . . . 649 . . . 5391 1 869 . 1 1 84 84 LEU HD21 H 1 1.1000 . . . . . . . 649 . . . 5391 1 870 . 1 1 84 84 LEU HD22 H 1 1.1000 . . . . . . . 649 . . . 5391 1 871 . 1 1 84 84 LEU HD23 H 1 1.1000 . . . . . . . 649 . . . 5391 1 872 . 1 1 85 85 ALA N N 15 121.3400 . . . . . . . 650 . . . 5391 1 873 . 1 1 85 85 ALA H H 1 8.6200 . . . . . . . 650 . . . 5391 1 874 . 1 1 85 85 ALA C C 13 180.3000 . . . . . . . 650 . . . 5391 1 875 . 1 1 85 85 ALA CA C 13 55.2900 . . . . . . . 650 . . . 5391 1 876 . 1 1 85 85 ALA HA H 1 3.9700 . . . . . . . 650 . . . 5391 1 877 . 1 1 85 85 ALA CB C 13 17.6100 . . . . . . . 650 . . . 5391 1 878 . 1 1 85 85 ALA HB1 H 1 1.5900 . . . . . . . 650 . . . 5391 1 879 . 1 1 85 85 ALA HB2 H 1 1.5900 . . . . . . . 650 . . . 5391 1 880 . 1 1 85 85 ALA HB3 H 1 1.5900 . . . . . . . 650 . . . 5391 1 881 . 1 1 86 86 GLN N N 15 116.2000 . . . . . . . 651 . . . 5391 1 882 . 1 1 86 86 GLN H H 1 7.6300 . . . . . . . 651 . . . 5391 1 883 . 1 1 86 86 GLN C C 13 177.2000 . . . . . . . 651 . . . 5391 1 884 . 1 1 86 86 GLN CA C 13 57.7900 . . . . . . . 651 . . . 5391 1 885 . 1 1 86 86 GLN HA H 1 4.2300 . . . . . . . 651 . . . 5391 1 886 . 1 1 86 86 GLN CB C 13 28.5000 . . . . . . . 651 . . . 5391 1 887 . 1 1 86 86 GLN HB2 H 1 2.2800 . . . . . . . 651 . . . 5391 1 888 . 1 1 86 86 GLN CG C 13 33.7700 . . . . . . . 651 . . . 5391 1 889 . 1 1 86 86 GLN HG2 H 1 2.62 . . . . . . . 651 . . . 5391 1 890 . 1 1 86 86 GLN HG3 H 1 2.52 . . . . . . . 651 . . . 5391 1 891 . 1 1 86 86 GLN NE2 N 15 111.5500 . . . . . . . 651 . . . 5391 1 892 . 1 1 86 86 GLN HE21 H 1 7.4000 . . . . . . . 651 . . . 5391 1 893 . 1 1 86 86 GLN HE22 H 1 6.800 . . . . . . . 651 . . . 5391 1 894 . 1 1 87 87 ALA N N 15 121.4200 . . . . . . . 652 . . . 5391 1 895 . 1 1 87 87 ALA H H 1 7.9400 . . . . . . . 652 . . . 5391 1 896 . 1 1 87 87 ALA C C 13 179.0000 . . . . . . . 652 . . . 5391 1 897 . 1 1 87 87 ALA CA C 13 52.4400 . . . . . . . 652 . . . 5391 1 898 . 1 1 87 87 ALA HA H 1 4.5900 . . . . . . . 652 . . . 5391 1 899 . 1 1 87 87 ALA CB C 13 19.5100 . . . . . . . 652 . . . 5391 1 900 . 1 1 87 87 ALA HB1 H 1 1.7200 . . . . . . . 652 . . . 5391 1 901 . 1 1 87 87 ALA HB2 H 1 1.7200 . . . . . . . 652 . . . 5391 1 902 . 1 1 87 87 ALA HB3 H 1 1.7200 . . . . . . . 652 . . . 5391 1 903 . 1 1 88 88 LEU N N 15 119.8400 . . . . . . . 653 . . . 5391 1 904 . 1 1 88 88 LEU H H 1 7.6800 . . . . . . . 653 . . . 5391 1 905 . 1 1 88 88 LEU C C 13 179.2000 . . . . . . . 653 . . . 5391 1 906 . 1 1 88 88 LEU CA C 13 58.4500 . . . . . . . 653 . . . 5391 1 907 . 1 1 88 88 LEU HA H 1 4.1100 . . . . . . . 653 . . . 5391 1 908 . 1 1 88 88 LEU CB C 13 41.8200 . . . . . . . 653 . . . 5391 1 909 . 1 1 88 88 LEU HB2 H 1 1.9800 . . . . . . . 653 . . . 5391 1 910 . 1 1 88 88 LEU HB3 H 1 1.6400 . . . . . . . 653 . . . 5391 1 911 . 1 1 88 88 LEU CD1 C 13 25.6500 . . . . . . . 653 . . . 5391 1 912 . 1 1 88 88 LEU HD11 H 1 0.9800 . . . . . . . 653 . . . 5391 1 913 . 1 1 88 88 LEU HD12 H 1 0.9800 . . . . . . . 653 . . . 5391 1 914 . 1 1 88 88 LEU HD13 H 1 0.9800 . . . . . . . 653 . . . 5391 1 915 . 1 1 88 88 LEU CD2 C 13 24.8000 . . . . . . . 653 . . . 5391 1 916 . 1 1 88 88 LEU HD21 H 1 0.9500 . . . . . . . 653 . . . 5391 1 917 . 1 1 88 88 LEU HD22 H 1 0.9500 . . . . . . . 653 . . . 5391 1 918 . 1 1 88 88 LEU HD23 H 1 0.9500 . . . . . . . 653 . . . 5391 1 919 . 1 1 89 89 HIS N N 15 113.3700 . . . . . . . 654 . . . 5391 1 920 . 1 1 89 89 HIS H H 1 8.3600 . . . . . . . 654 . . . 5391 1 921 . 1 1 89 89 HIS C C 13 175.0000 . . . . . . . 654 . . . 5391 1 922 . 1 1 89 89 HIS CA C 13 56.7700 . . . . . . . 654 . . . 5391 1 923 . 1 1 89 89 HIS HA H 1 4.7400 . . . . . . . 654 . . . 5391 1 924 . 1 1 89 89 HIS CB C 13 27.5500 . . . . . . . 654 . . . 5391 1 925 . 1 1 89 89 HIS HB2 H 1 3.4200 . . . . . . . 654 . . . 5391 1 926 . 1 1 89 89 HIS HB3 H 1 3.4200 . . . . . . . 654 . . . 5391 1 927 . 1 1 90 90 GLN N N 15 117.4900 . . . . . . . 655 . . . 5391 1 928 . 1 1 90 90 GLN H H 1 8.1100 . . . . . . . 655 . . . 5391 1 929 . 1 1 90 90 GLN C C 13 175.4000 . . . . . . . 655 . . . 5391 1 930 . 1 1 90 90 GLN CA C 13 55.7000 . . . . . . . 655 . . . 5391 1 931 . 1 1 90 90 GLN HA H 1 4.4700 . . . . . . . 655 . . . 5391 1 932 . 1 1 90 90 GLN CB C 13 30.0700 . . . . . . . 655 . . . 5391 1 933 . 1 1 90 90 GLN HB2 H 1 2.1600 . . . . . . . 655 . . . 5391 1 934 . 1 1 90 90 GLN HB3 H 1 2.3300 . . . . . . . 655 . . . 5391 1 935 . 1 1 90 90 GLN CG C 13 34.1900 . . . . . . . 655 . . . 5391 1 936 . 1 1 90 90 GLN HG2 H 1 2.2900 . . . . . . . 655 . . . 5391 1 937 . 1 1 90 90 GLN HG3 H 1 2.1300 . . . . . . . 655 . . . 5391 1 938 . 1 1 91 91 CYS N N 15 117.5000 . . . . . . . 656 . . . 5391 1 939 . 1 1 91 91 CYS H H 1 7.6900 . . . . . . . 656 . . . 5391 1 940 . 1 1 91 91 CYS C C 13 174.0000 . . . . . . . 656 . . . 5391 1 941 . 1 1 91 91 CYS CA C 13 58.1000 . . . . . . . 656 . . . 5391 1 942 . 1 1 91 91 CYS HA H 1 4.9200 . . . . . . . 656 . . . 5391 1 943 . 1 1 91 91 CYS CB C 13 29.1500 . . . . . . . 656 . . . 5391 1 944 . 1 1 91 91 CYS HB2 H 1 3.3300 . . . . . . . 656 . . . 5391 1 945 . 1 1 91 91 CYS HB3 H 1 3.0000 . . . . . . . 656 . . . 5391 1 946 . 1 1 92 92 SER N N 15 121.3400 . . . . . . . 657 . . . 5391 1 947 . 1 1 92 92 SER H H 1 9.4100 . . . . . . . 657 . . . 5391 1 948 . 1 1 92 92 SER CA C 13 57.1200 . . . . . . . 657 . . . 5391 1 949 . 1 1 92 92 SER HA H 1 4.6800 . . . . . . . 657 . . . 5391 1 950 . 1 1 92 92 SER CB C 13 65.3100 . . . . . . . 657 . . . 5391 1 951 . 1 1 92 92 SER HB2 H 1 4.3700 . . . . . . . 657 . . . 5391 1 952 . 1 1 92 92 SER HB3 H 1 4.05 . . . . . . . 657 . . . 5391 1 953 . 1 1 93 93 ARG N N 15 121.3400 . . . . . . . 658 . . . 5391 1 954 . 1 1 93 93 ARG H H 1 8.5600 . . . . . . . 658 . . . 5391 1 955 . 1 1 93 93 ARG C C 13 178.1000 . . . . . . . 658 . . . 5391 1 956 . 1 1 93 93 ARG CA C 13 59.9200 . . . . . . . 658 . . . 5391 1 957 . 1 1 93 93 ARG HA H 1 3.6500 . . . . . . . 658 . . . 5391 1 958 . 1 1 93 93 ARG CB C 13 30.2100 . . . . . . . 658 . . . 5391 1 959 . 1 1 93 93 ARG HB2 H 1 1.6400 . . . . . . . 658 . . . 5391 1 960 . 1 1 93 93 ARG HB3 H 1 1.3500 . . . . . . . 658 . . . 5391 1 961 . 1 1 93 93 ARG HG2 H 1 1.0000 . . . . . . . 658 . . . 5391 1 962 . 1 1 93 93 ARG HG3 H 1 0.8300 . . . . . . . 658 . . . 5391 1 963 . 1 1 93 93 ARG CD C 13 43.5600 . . . . . . . 658 . . . 5391 1 964 . 1 1 93 93 ARG HD2 H 1 2.7800 . . . . . . . 658 . . . 5391 1 965 . 1 1 93 93 ARG HD3 H 1 2.7800 . . . . . . . 658 . . . 5391 1 966 . 1 1 94 94 ILE N N 15 117.7400 . . . . . . . 659 . . . 5391 1 967 . 1 1 94 94 ILE H H 1 7.9700 . . . . . . . 659 . . . 5391 1 968 . 1 1 94 94 ILE C C 13 177.0000 . . . . . . . 659 . . . 5391 1 969 . 1 1 94 94 ILE CA C 13 64.1600 . . . . . . . 659 . . . 5391 1 970 . 1 1 94 94 ILE HA H 1 3.7000 . . . . . . . 659 . . . 5391 1 971 . 1 1 94 94 ILE CB C 13 37.1200 . . . . . . . 659 . . . 5391 1 972 . 1 1 94 94 ILE HB H 1 1.8000 . . . . . . . 659 . . . 5391 1 973 . 1 1 94 94 ILE CG1 C 13 29.9000 . . . . . . . 659 . . . 5391 1 974 . 1 1 94 94 ILE HG12 H 1 1.5000 . . . . . . . 659 . . . 5391 1 975 . 1 1 94 94 ILE HG13 H 1 1.2100 . . . . . . . 659 . . . 5391 1 976 . 1 1 94 94 ILE CG2 C 13 17.200 . . . . . . . 659 . . . 5391 1 977 . 1 1 94 94 ILE HG21 H 1 0.7600 . . . . . . . 659 . . . 5391 1 978 . 1 1 94 94 ILE HG22 H 1 0.7600 . . . . . . . 659 . . . 5391 1 979 . 1 1 94 94 ILE HG23 H 1 0.7600 . . . . . . . 659 . . . 5391 1 980 . 1 1 94 94 ILE CD1 C 13 13.1000 . . . . . . . 659 . . . 5391 1 981 . 1 1 94 94 ILE HD11 H 1 0.8000 . . . . . . . 659 . . . 5391 1 982 . 1 1 94 94 ILE HD12 H 1 0.8000 . . . . . . . 659 . . . 5391 1 983 . 1 1 94 94 ILE HD13 H 1 0.8000 . . . . . . . 659 . . . 5391 1 984 . 1 1 95 95 ASP N N 15 121.0900 . . . . . . . 660 . . . 5391 1 985 . 1 1 95 95 ASP H H 1 7.8000 . . . . . . . 660 . . . 5391 1 986 . 1 1 95 95 ASP CA C 13 57.8900 . . . . . . . 660 . . . 5391 1 987 . 1 1 95 95 ASP HA H 1 4.4200 . . . . . . . 660 . . . 5391 1 988 . 1 1 95 95 ASP CB C 13 40.8400 . . . . . . . 660 . . . 5391 1 989 . 1 1 95 95 ASP HB2 H 1 3.2100 . . . . . . . 660 . . . 5391 1 990 . 1 1 96 96 LEU N N 15 120.0600 . . . . . . . 661 . . . 5391 1 991 . 1 1 96 96 LEU H H 1 8.0600 . . . . . . . 661 . . . 5391 1 992 . 1 1 96 96 LEU CA C 13 57.4900 . . . . . . . 661 . . . 5391 1 993 . 1 1 96 96 LEU HA H 1 4.2600 . . . . . . . 661 . . . 5391 1 994 . 1 1 96 96 LEU CB C 13 41.4800 . . . . . . . 661 . . . 5391 1 995 . 1 1 96 96 LEU HB2 H 1 2.0400 . . . . . . . 661 . . . 5391 1 996 . 1 1 96 96 LEU HB3 H 1 1.6800 . . . . . . . 661 . . . 5391 1 997 . 1 1 96 96 LEU HD11 H 1 0.9100 . . . . . . . 661 . . . 5391 1 998 . 1 1 96 96 LEU HD12 H 1 0.9100 . . . . . . . 661 . . . 5391 1 999 . 1 1 96 96 LEU HD13 H 1 0.9100 . . . . . . . 661 . . . 5391 1 1000 . 1 1 96 96 LEU HD21 H 1 0.9100 . . . . . . . 661 . . . 5391 1 1001 . 1 1 96 96 LEU HD22 H 1 0.9100 . . . . . . . 661 . . . 5391 1 1002 . 1 1 96 96 LEU HD23 H 1 0.9100 . . . . . . . 661 . . . 5391 1 1003 . 1 1 97 97 LEU N N 15 121.0900 . . . . . . . 662 . . . 5391 1 1004 . 1 1 97 97 LEU H H 1 8.7700 . . . . . . . 662 . . . 5391 1 1005 . 1 1 97 97 LEU C C 13 179.1000 . . . . . . . 662 . . . 5391 1 1006 . 1 1 97 97 LEU CA C 13 58.4000 . . . . . . . 662 . . . 5391 1 1007 . 1 1 97 97 LEU HA H 1 3.8000 . . . . . . . 662 . . . 5391 1 1008 . 1 1 97 97 LEU CB C 13 41.2500 . . . . . . . 662 . . . 5391 1 1009 . 1 1 97 97 LEU HB2 H 1 1.1000 . . . . . . . 662 . . . 5391 1 1010 . 1 1 97 97 LEU HB3 H 1 1.9000 . . . . . . . 662 . . . 5391 1 1011 . 1 1 97 97 LEU HD11 H 1 0.7700 . . . . . . . 662 . . . 5391 1 1012 . 1 1 97 97 LEU HD12 H 1 0.7700 . . . . . . . 662 . . . 5391 1 1013 . 1 1 97 97 LEU HD13 H 1 0.7700 . . . . . . . 662 . . . 5391 1 1014 . 1 1 97 97 LEU HD21 H 1 0.7700 . . . . . . . 662 . . . 5391 1 1015 . 1 1 97 97 LEU HD22 H 1 0.7700 . . . . . . . 662 . . . 5391 1 1016 . 1 1 97 97 LEU HD23 H 1 0.7700 . . . . . . . 662 . . . 5391 1 1017 . 1 1 98 98 SER N N 15 114.4000 . . . . . . . 663 . . . 5391 1 1018 . 1 1 98 98 SER H H 1 8.3300 . . . . . . . 663 . . . 5391 1 1019 . 1 1 98 98 SER C C 13 176.1000 . . . . . . . 663 . . . 5391 1 1020 . 1 1 98 98 SER HA H 1 4.0300 . . . . . . . 663 . . . 5391 1 1021 . 1 1 98 98 SER CB C 13 61.6400 . . . . . . . 663 . . . 5391 1 1022 . 1 1 98 98 SER HB2 H 1 4.3300 . . . . . . . 663 . . . 5391 1 1023 . 1 1 98 98 SER HB3 H 1 4.1500 . . . . . . . 663 . . . 5391 1 1024 . 1 1 99 99 SER N N 15 121.0900 . . . . . . . 664 . . . 5391 1 1025 . 1 1 99 99 SER H H 1 7.3100 . . . . . . . 664 . . . 5391 1 1026 . 1 1 99 99 SER C C 13 175.4000 . . . . . . . 664 . . . 5391 1 1027 . 1 1 99 99 SER CA C 13 60.4500 . . . . . . . 664 . . . 5391 1 1028 . 1 1 99 99 SER HA H 1 3.2600 . . . . . . . 664 . . . 5391 1 1029 . 1 1 99 99 SER HB2 H 1 2.4500 . . . . . . . 664 . . . 5391 1 1030 . 1 1 100 100 LEU N N 15 119.3400 . . . . . . . 665 . . . 5391 1 1031 . 1 1 100 100 LEU H H 1 7.4200 . . . . . . . 665 . . . 5391 1 1032 . 1 1 100 100 LEU C C 13 176.9000 . . . . . . . 665 . . . 5391 1 1033 . 1 1 100 100 LEU CA C 13 56.2700 . . . . . . . 665 . . . 5391 1 1034 . 1 1 100 100 LEU HA H 1 3.9200 . . . . . . . 665 . . . 5391 1 1035 . 1 1 100 100 LEU CB C 13 42.5400 . . . . . . . 665 . . . 5391 1 1036 . 1 1 100 100 LEU HB2 H 1 1.9100 . . . . . . . 665 . . . 5391 1 1037 . 1 1 100 100 LEU HB3 H 1 1.3000 . . . . . . . 665 . . . 5391 1 1038 . 1 1 100 100 LEU CD1 C 13 26.4500 . . . . . . . 665 . . . 5391 1 1039 . 1 1 100 100 LEU HD11 H 1 0.7700 . . . . . . . 665 . . . 5391 1 1040 . 1 1 100 100 LEU HD12 H 1 0.7700 . . . . . . . 665 . . . 5391 1 1041 . 1 1 100 100 LEU HD13 H 1 0.7700 . . . . . . . 665 . . . 5391 1 1042 . 1 1 100 100 LEU CD2 C 13 22.3600 . . . . . . . 665 . . . 5391 1 1043 . 1 1 100 100 LEU HD21 H 1 0.4100 . . . . . . . 665 . . . 5391 1 1044 . 1 1 100 100 LEU HD22 H 1 0.4100 . . . . . . . 665 . . . 5391 1 1045 . 1 1 100 100 LEU HD23 H 1 0.4100 . . . . . . . 665 . . . 5391 1 1046 . 1 1 101 101 ILE N N 15 108.7400 . . . . . . . 666 . . . 5391 1 1047 . 1 1 101 101 ILE H H 1 6.9600 . . . . . . . 666 . . . 5391 1 1048 . 1 1 101 101 ILE C C 13 173.6000 . . . . . . . 666 . . . 5391 1 1049 . 1 1 101 101 ILE CA C 13 59.8600 . . . . . . . 666 . . . 5391 1 1050 . 1 1 101 101 ILE HA H 1 4.1900 . . . . . . . 666 . . . 5391 1 1051 . 1 1 101 101 ILE CB C 13 36.8900 . . . . . . . 666 . . . 5391 1 1052 . 1 1 101 101 ILE HB H 1 2.1500 . . . . . . . 666 . . . 5391 1 1053 . 1 1 101 101 ILE CG1 C 13 26.7000 . . . . . . . 666 . . . 5391 1 1054 . 1 1 101 101 ILE HG12 H 1 1.3800 . . . . . . . 666 . . . 5391 1 1055 . 1 1 101 101 ILE HG13 H 1 1.2200 . . . . . . . 666 . . . 5391 1 1056 . 1 1 101 101 ILE CG2 C 13 18.7600 . . . . . . . 666 . . . 5391 1 1057 . 1 1 101 101 ILE HG21 H 1 0.7700 . . . . . . . 666 . . . 5391 1 1058 . 1 1 101 101 ILE HG22 H 1 0.7700 . . . . . . . 666 . . . 5391 1 1059 . 1 1 101 101 ILE HG23 H 1 0.7700 . . . . . . . 666 . . . 5391 1 1060 . 1 1 101 101 ILE CD1 C 13 14.0300 . . . . . . . 666 . . . 5391 1 1061 . 1 1 101 101 ILE HD11 H 1 0.8300 . . . . . . . 666 . . . 5391 1 1062 . 1 1 101 101 ILE HD12 H 1 0.8300 . . . . . . . 666 . . . 5391 1 1063 . 1 1 101 101 ILE HD13 H 1 0.8300 . . . . . . . 666 . . . 5391 1 1064 . 1 1 102 102 TYR N N 15 120.0600 . . . . . . . 667 . . . 5391 1 1065 . 1 1 102 102 TYR H H 1 6.6300 . . . . . . . 667 . . . 5391 1 1066 . 1 1 102 102 TYR C C 13 173.2000 . . . . . . . 667 . . . 5391 1 1067 . 1 1 102 102 TYR CA C 13 59.1600 . . . . . . . 667 . . . 5391 1 1068 . 1 1 102 102 TYR HA H 1 4.1300 . . . . . . . 667 . . . 5391 1 1069 . 1 1 102 102 TYR CB C 13 39.2100 . . . . . . . 667 . . . 5391 1 1070 . 1 1 102 102 TYR HB2 H 1 3.1200 . . . . . . . 667 . . . 5391 1 1071 . 1 1 102 102 TYR HB3 H 1 3.0100 . . . . . . . 667 . . . 5391 1 1072 . 1 1 102 102 TYR CD1 C 13 133.4700 . . . . . . . 667 . . . 5391 1 1073 . 1 1 102 102 TYR CD2 C 13 133.4700 . . . . . . . 667 . . . 5391 1 1074 . 1 1 102 102 TYR HD1 H 1 7.2400 . . . . . . . 667 . . . 5391 1 1075 . 1 1 102 102 TYR HD2 H 1 7.2400 . . . . . . . 667 . . . 5391 1 1076 . 1 1 102 102 TYR CE1 C 13 117.6800 . . . . . . . 667 . . . 5391 1 1077 . 1 1 102 102 TYR CE2 C 13 117.6800 . . . . . . . 667 . . . 5391 1 1078 . 1 1 102 102 TYR HE1 H 1 6.6500 . . . . . . . 667 . . . 5391 1 1079 . 1 1 102 102 TYR HE2 H 1 6.6500 . . . . . . . 667 . . . 5391 1 1080 . 1 1 103 103 VAL N N 15 124.9400 . . . . . . . 668 . . . 5391 1 1081 . 1 1 103 103 VAL H H 1 6.5400 . . . . . . . 668 . . . 5391 1 1082 . 1 1 103 103 VAL CA C 13 60.4200 . . . . . . . 668 . . . 5391 1 1083 . 1 1 103 103 VAL HA H 1 4.0700 . . . . . . . 668 . . . 5391 1 1084 . 1 1 103 103 VAL CB C 13 34.5700 . . . . . . . 668 . . . 5391 1 1085 . 1 1 103 103 VAL HB H 1 1.6900 . . . . . . . 668 . . . 5391 1 1086 . 1 1 103 103 VAL CG1 C 13 20.85000 . . . . . . . 668 . . . 5391 1 1087 . 1 1 103 103 VAL CG2 C 13 20.85000 . . . . . . . 668 . . . 5391 1 1088 . 1 1 103 103 VAL HG11 H 1 0.7700 . . . . . . . 668 . . . 5391 1 1089 . 1 1 103 103 VAL HG12 H 1 0.7700 . . . . . . . 668 . . . 5391 1 1090 . 1 1 103 103 VAL HG13 H 1 0.7700 . . . . . . . 668 . . . 5391 1 1091 . 1 1 103 103 VAL HG21 H 1 0.7700 . . . . . . . 668 . . . 5391 1 1092 . 1 1 103 103 VAL HG22 H 1 0.7700 . . . . . . . 668 . . . 5391 1 1093 . 1 1 103 103 VAL HG23 H 1 0.7700 . . . . . . . 668 . . . 5391 1 1094 . 1 1 104 104 SER N N 15 121.0900 . . . . . . . 669 . . . 5391 1 1095 . 1 1 104 104 SER H H 1 8.0800 . . . . . . . 669 . . . 5391 1 1096 . 1 1 104 104 SER C C 13 174.9000 . . . . . . . 669 . . . 5391 1 1097 . 1 1 104 104 SER CA C 13 57.9600 . . . . . . . 669 . . . 5391 1 1098 . 1 1 104 104 SER HA H 1 4.1800 . . . . . . . 669 . . . 5391 1 1099 . 1 1 104 104 SER CB C 13 64.1400 . . . . . . . 669 . . . 5391 1 1100 . 1 1 104 104 SER HB2 H 1 3.9800 . . . . . . . 669 . . . 5391 1 1101 . 1 1 104 104 SER HB3 H 1 3.9000 . . . . . . . 669 . . . 5391 1 1102 . 1 1 105 105 GLN N N 15 122.6300 . . . . . . . 670 . . . 5391 1 1103 . 1 1 105 105 GLN H H 1 8.4500 . . . . . . . 670 . . . 5391 1 1104 . 1 1 105 105 GLN CA C 13 55.6800 . . . . . . . 670 . . . 5391 1 1105 . 1 1 105 105 GLN HA H 1 4.3000 . . . . . . . 670 . . . 5391 1 1106 . 1 1 105 105 GLN CB C 13 29.2900 . . . . . . . 670 . . . 5391 1 1107 . 1 1 105 105 GLN HB2 H 1 2.0800 . . . . . . . 670 . . . 5391 1 1108 . 1 1 105 105 GLN HB3 H 1 1.9300 . . . . . . . 670 . . . 5391 1 1109 . 1 1 105 105 GLN CG C 13 33.6900 . . . . . . . 670 . . . 5391 1 1110 . 1 1 105 105 GLN HG2 H 1 2.3200 . . . . . . . 670 . . . 5391 1 1111 . 1 1 105 105 GLN HG3 H 1 2.3200 . . . . . . . 670 . . . 5391 1 1112 . 1 1 106 106 ASN N N 15 119.2900 . . . . . . . 671 . . . 5391 1 1113 . 1 1 106 106 ASN H H 1 8.2600 . . . . . . . 671 . . . 5391 1 1114 . 1 1 106 106 ASN CA C 13 52.9900 . . . . . . . 671 . . . 5391 1 1115 . 1 1 106 106 ASN HA H 1 4.6300 . . . . . . . 671 . . . 5391 1 1116 . 1 1 106 106 ASN CB C 13 38.5500 . . . . . . . 671 . . . 5391 1 1117 . 1 1 106 106 ASN HB2 H 1 2.7600 . . . . . . . 671 . . . 5391 1 1118 . 1 1 107 107 HIS N N 15 119.2900 . . . . . . . 672 . . . 5391 1 1119 . 1 1 107 107 HIS H H 1 8.3500 . . . . . . . 672 . . . 5391 1 1120 . 1 1 107 107 HIS CA C 13 55.0400 . . . . . . . 672 . . . 5391 1 1121 . 1 1 107 107 HIS HA H 1 4.6400 . . . . . . . 672 . . . 5391 1 1122 . 1 1 107 107 HIS CB C 13 28.8000 . . . . . . . 672 . . . 5391 1 1123 . 1 1 107 107 HIS HB2 H 1 3.2200 . . . . . . . 672 . . . 5391 1 1124 . 1 1 107 107 HIS HB3 H 1 3.0500 . . . . . . . 672 . . . 5391 1 stop_ save_