data_17632 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17632 _Entry.Title ; Solution structure of the Vav1 SH2 domain complexed with a Syk-derived doubly phosphorylated peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-09 _Entry.Accession_date 2011-05-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Chih-Hong Chen . . . 17632 2 Nina Gorenstein . . . 17632 3 Carol Post . . . 17632 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17632 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID phosphopeptide . 17632 'sh2 domain' . 17632 vav1 . 17632 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17632 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 355 17632 '15N chemical shifts' 95 17632 '1H chemical shifts' 771 17632 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-06-24 2011-05-09 update BMRB 'update entry citation' 17632 1 . . 2011-06-03 2011-05-09 original author 'original release' 17632 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LCT 'BMRB Entry Tracking System' 17632 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17632 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21606197 _Citation.Full_citation . _Citation.Title 'Two closely-spaced tyrosines regulate NFAT signaling in B cells via Syk association with Vav.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell. Biol.' _Citation.Journal_name_full 'Molecular and cellular biology' _Citation.Journal_volume 31 _Citation.Journal_issue 14 _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 2984 _Citation.Page_last 2996 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Chih-Hong Chen . . . 17632 1 2 Victoria Martin . A. . 17632 1 3 Nina Gorenstein . M. . 17632 1 4 Robert Geahlen . L. . 17632 1 5 'Carol Beth' Post . . . 17632 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17632 _Assembly.ID 1 _Assembly.Name 'Syk/Vav complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 17632 1 2 entity_2 2 $entity_2 B . yes native no no . . . 17632 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 17632 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMQDLSVHLWYAGPMERAG AESILANRSDGTFLVRQRVK DAAEFAISIKYNVEVKHIKI MTAEGLYRITEKKAFRGLTE LVEFYQQNSLKDCFKSLDTT LQFPFKE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12335.253 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19423 . entity_1 . . . . . 99.07 106 100.00 100.00 2.84e-72 . . . . 17632 1 2 no PDB 2CRH . "Solution Structure Of The Sh2 Domain Of Human Proto- Oncogene Protein Vav1" . . . . . 100.00 138 98.13 98.13 1.75e-70 . . . . 17632 1 3 no PDB 2LCT . "Solution Structure Of The Vav1 Sh2 Domain Complexed With A Syk-Derived Doubly Phosphorylated Peptide" . . . . . 100.00 107 100.00 100.00 3.77e-73 . . . . 17632 1 4 no PDB 2MC1 . "Solution Structure Of The Vav1 Sh2 Domain Complexed With A Syk-derived Singly Phosphorylated Peptide" . . . . . 100.00 107 100.00 100.00 3.77e-73 . . . . 17632 1 5 no PDB 2ROR . "Solution Structure Of The Vav1 Sh2 Domain Complexed With A Tyrosine-Phosphorylated Peptide From Slp76" . . . . . 100.00 138 98.13 98.13 1.75e-70 . . . . 17632 1 6 no DBJ BAG36112 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 845 98.13 98.13 2.81e-63 . . . . 17632 1 7 no DBJ BAG62721 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 748 98.13 98.13 1.83e-63 . . . . 17632 1 8 no DBJ BAJ21026 . "vav 1 guanine nucleotide exchange factor [synthetic construct]" . . . . . 100.00 845 98.13 98.13 2.87e-63 . . . . 17632 1 9 no EMBL CAA58783 . "VAV [Homo sapiens]" . . . . . 100.00 539 98.13 98.13 9.10e-65 . . . . 17632 1 10 no GB AAC25011 . "vav protein [Homo sapiens]" . . . . . 100.00 845 98.13 98.13 2.87e-63 . . . . 17632 1 11 no GB AAH13361 . "VAV1 protein [Homo sapiens]" . . . . . 100.00 790 98.13 98.13 2.31e-63 . . . . 17632 1 12 no GB AAI23647 . "Vav 1 guanine nucleotide exchange factor [Bos taurus]" . . . . . 100.00 844 97.20 97.20 1.12e-62 . . . . 17632 1 13 no GB AIC59346 . "VAV1, partial [synthetic construct]" . . . . . 100.00 790 98.13 98.13 2.31e-63 . . . . 17632 1 14 no GB EAW69057 . "vav 1 oncogene, isoform CRA_a [Homo sapiens]" . . . . . 100.00 787 98.13 98.13 2.50e-63 . . . . 17632 1 15 no REF NP_001071542 . "proto-oncogene vav [Bos taurus]" . . . . . 100.00 844 97.20 97.20 1.12e-62 . . . . 17632 1 16 no REF NP_001245135 . "proto-oncogene vav isoform 2 [Homo sapiens]" . . . . . 100.00 823 98.13 98.13 2.56e-63 . . . . 17632 1 17 no REF NP_001245136 . "proto-oncogene vav isoform 3 [Homo sapiens]" . . . . . 100.00 813 98.13 98.13 2.75e-63 . . . . 17632 1 18 no REF NP_005419 . "proto-oncogene vav isoform 1 [Homo sapiens]" . . . . . 100.00 845 98.13 98.13 2.87e-63 . . . . 17632 1 19 no REF XP_002801087 . "PREDICTED: proto-oncogene vav-like [Macaca mulatta]" . . . . . 100.00 767 97.20 98.13 4.52e-63 . . . . 17632 1 20 no SP P15498 . "RecName: Full=Proto-oncogene vav" . . . . . 100.00 845 98.13 98.13 2.87e-63 . . . . 17632 1 21 no SP Q08DN7 . "RecName: Full=Proto-oncogene vav" . . . . . 100.00 844 97.20 97.20 1.12e-62 . . . . 17632 1 22 no TPG DAA27902 . "TPA: proto-oncogene vav-like [Bos taurus]" . . . . . 100.00 249 97.20 97.20 1.40e-67 . . . . 17632 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 1 661 GLY . 17632 1 2 662 HIS . 17632 1 3 663 MET . 17632 1 4 664 GLN . 17632 1 5 665 ASP . 17632 1 6 666 LEU . 17632 1 7 667 SER . 17632 1 8 668 VAL . 17632 1 9 669 HIS . 17632 1 10 670 LEU . 17632 1 11 671 TRP . 17632 1 12 672 TYR . 17632 1 13 673 ALA . 17632 1 14 674 GLY . 17632 1 15 675 PRO . 17632 1 16 676 MET . 17632 1 17 677 GLU . 17632 1 18 678 ARG . 17632 1 19 679 ALA . 17632 1 20 680 GLY . 17632 1 21 681 ALA . 17632 1 22 682 GLU . 17632 1 23 683 SER . 17632 1 24 684 ILE . 17632 1 25 685 LEU . 17632 1 26 686 ALA . 17632 1 27 687 ASN . 17632 1 28 688 ARG . 17632 1 29 689 SER . 17632 1 30 690 ASP . 17632 1 31 691 GLY . 17632 1 32 692 THR . 17632 1 33 693 PHE . 17632 1 34 694 LEU . 17632 1 35 695 VAL . 17632 1 36 696 ARG . 17632 1 37 697 GLN . 17632 1 38 698 ARG . 17632 1 39 699 VAL . 17632 1 40 700 LYS . 17632 1 41 701 ASP . 17632 1 42 702 ALA . 17632 1 43 703 ALA . 17632 1 44 704 GLU . 17632 1 45 705 PHE . 17632 1 46 706 ALA . 17632 1 47 707 ILE . 17632 1 48 708 SER . 17632 1 49 709 ILE . 17632 1 50 710 LYS . 17632 1 51 711 TYR . 17632 1 52 712 ASN . 17632 1 53 713 VAL . 17632 1 54 714 GLU . 17632 1 55 715 VAL . 17632 1 56 716 LYS . 17632 1 57 717 HIS . 17632 1 58 718 ILE . 17632 1 59 719 LYS . 17632 1 60 720 ILE . 17632 1 61 721 MET . 17632 1 62 722 THR . 17632 1 63 723 ALA . 17632 1 64 724 GLU . 17632 1 65 725 GLY . 17632 1 66 726 LEU . 17632 1 67 727 TYR . 17632 1 68 728 ARG . 17632 1 69 729 ILE . 17632 1 70 730 THR . 17632 1 71 731 GLU . 17632 1 72 732 LYS . 17632 1 73 733 LYS . 17632 1 74 734 ALA . 17632 1 75 735 PHE . 17632 1 76 736 ARG . 17632 1 77 737 GLY . 17632 1 78 738 LEU . 17632 1 79 739 THR . 17632 1 80 740 GLU . 17632 1 81 741 LEU . 17632 1 82 742 VAL . 17632 1 83 743 GLU . 17632 1 84 744 PHE . 17632 1 85 745 TYR . 17632 1 86 746 GLN . 17632 1 87 747 GLN . 17632 1 88 748 ASN . 17632 1 89 749 SER . 17632 1 90 750 LEU . 17632 1 91 751 LYS . 17632 1 92 752 ASP . 17632 1 93 753 CYS . 17632 1 94 754 PHE . 17632 1 95 755 LYS . 17632 1 96 756 SER . 17632 1 97 757 LEU . 17632 1 98 758 ASP . 17632 1 99 759 THR . 17632 1 100 760 THR . 17632 1 101 761 LEU . 17632 1 102 762 GLN . 17632 1 103 763 PHE . 17632 1 104 764 PRO . 17632 1 105 765 PHE . 17632 1 106 766 LYS . 17632 1 107 767 GLU . 17632 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17632 1 . HIS 2 2 17632 1 . MET 3 3 17632 1 . GLN 4 4 17632 1 . ASP 5 5 17632 1 . LEU 6 6 17632 1 . SER 7 7 17632 1 . VAL 8 8 17632 1 . HIS 9 9 17632 1 . LEU 10 10 17632 1 . TRP 11 11 17632 1 . TYR 12 12 17632 1 . ALA 13 13 17632 1 . GLY 14 14 17632 1 . PRO 15 15 17632 1 . MET 16 16 17632 1 . GLU 17 17 17632 1 . ARG 18 18 17632 1 . ALA 19 19 17632 1 . GLY 20 20 17632 1 . ALA 21 21 17632 1 . GLU 22 22 17632 1 . SER 23 23 17632 1 . ILE 24 24 17632 1 . LEU 25 25 17632 1 . ALA 26 26 17632 1 . ASN 27 27 17632 1 . ARG 28 28 17632 1 . SER 29 29 17632 1 . ASP 30 30 17632 1 . GLY 31 31 17632 1 . THR 32 32 17632 1 . PHE 33 33 17632 1 . LEU 34 34 17632 1 . VAL 35 35 17632 1 . ARG 36 36 17632 1 . GLN 37 37 17632 1 . ARG 38 38 17632 1 . VAL 39 39 17632 1 . LYS 40 40 17632 1 . ASP 41 41 17632 1 . ALA 42 42 17632 1 . ALA 43 43 17632 1 . GLU 44 44 17632 1 . PHE 45 45 17632 1 . ALA 46 46 17632 1 . ILE 47 47 17632 1 . SER 48 48 17632 1 . ILE 49 49 17632 1 . LYS 50 50 17632 1 . TYR 51 51 17632 1 . ASN 52 52 17632 1 . VAL 53 53 17632 1 . GLU 54 54 17632 1 . VAL 55 55 17632 1 . LYS 56 56 17632 1 . HIS 57 57 17632 1 . ILE 58 58 17632 1 . LYS 59 59 17632 1 . ILE 60 60 17632 1 . MET 61 61 17632 1 . THR 62 62 17632 1 . ALA 63 63 17632 1 . GLU 64 64 17632 1 . GLY 65 65 17632 1 . LEU 66 66 17632 1 . TYR 67 67 17632 1 . ARG 68 68 17632 1 . ILE 69 69 17632 1 . THR 70 70 17632 1 . GLU 71 71 17632 1 . LYS 72 72 17632 1 . LYS 73 73 17632 1 . ALA 74 74 17632 1 . PHE 75 75 17632 1 . ARG 76 76 17632 1 . GLY 77 77 17632 1 . LEU 78 78 17632 1 . THR 79 79 17632 1 . GLU 80 80 17632 1 . LEU 81 81 17632 1 . VAL 82 82 17632 1 . GLU 83 83 17632 1 . PHE 84 84 17632 1 . TYR 85 85 17632 1 . GLN 86 86 17632 1 . GLN 87 87 17632 1 . ASN 88 88 17632 1 . SER 89 89 17632 1 . LEU 90 90 17632 1 . LYS 91 91 17632 1 . ASP 92 92 17632 1 . CYS 93 93 17632 1 . PHE 94 94 17632 1 . LYS 95 95 17632 1 . SER 96 96 17632 1 . LEU 97 97 17632 1 . ASP 98 98 17632 1 . THR 99 99 17632 1 . THR 100 100 17632 1 . LEU 101 101 17632 1 . GLN 102 102 17632 1 . PHE 103 103 17632 1 . PRO 104 104 17632 1 . PHE 105 105 17632 1 . LYS 106 106 17632 1 . GLU 107 107 17632 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 17632 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code DTEVXESPXADPE _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1674.475 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 338 ASP . 17632 2 2 339 THR . 17632 2 3 340 GLU . 17632 2 4 341 VAL . 17632 2 5 342 PTR . 17632 2 6 343 GLU . 17632 2 7 344 SER . 17632 2 8 345 PRO . 17632 2 9 346 PTR . 17632 2 10 347 ALA . 17632 2 11 348 ASP . 17632 2 12 349 PRO . 17632 2 13 350 GLU . 17632 2 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 . ASP 1 1 17632 2 . THR 2 2 17632 2 . GLU 3 3 17632 2 . VAL 4 4 17632 2 . PTR 5 5 17632 2 . GLU 6 6 17632 2 . SER 7 7 17632 2 . PRO 8 8 17632 2 . PTR 9 9 17632 2 . ALA 10 10 17632 2 . ASP 11 11 17632 2 . PRO 12 12 17632 2 . GLU 13 13 17632 2 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 17632 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17632 1 2 2 $entity_2 . 10090 organism . 'mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17632 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 17632 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETTEV411 . . . . . . 17632 1 2 2 $entity_2 . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17632 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PTR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PTR _Chem_comp.Entry_ID 17632 _Chem_comp.ID PTR _Chem_comp.Provenance . _Chem_comp.Name O-PHOSPHOTYROSINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code PTR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2009-12-01 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code Y _Chem_comp.Three_letter_code PTR _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID TYR _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOTYROSINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C9 H12 N O6 P' _Chem_comp.Formula_weight 261.168 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed May 18 09:54:02 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 17632 PTR c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17632 PTR DCWXELXMIBXGTH-LERKPKQADP InChIKey InChI 1.02b 17632 PTR InChI=1/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1/f/h11,13-14H InChI InChI 1.02b 17632 PTR N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 17632 PTR N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES CACTVS 3.341 17632 PTR O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O SMILES ACDLabs 10.04 17632 PTR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17632 PTR O-phosphono-L-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 17632 PTR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 46.366 . 11.139 . -0.665 . 1.298 0.975 3.302 1 . 17632 PTR CA . CA . . C . . S 0 . . . . no no . . . . 44.969 . 11.616 . -0.749 . -0.036 0.399 3.512 2 . 17632 PTR C . C . . C . . N 0 . . . . no no . . . . 44.978 . 13.010 . -1.358 . -0.148 -0.106 4.928 3 . 17632 PTR O . O . . O . . N 0 . . . . no no . . . . 43.891 . 13.514 . -1.708 . 0.833 -0.507 5.505 4 . 17632 PTR OXT . OXT . . O . . N 0 . . . . no yes . . . . 46.088 . 13.575 . -1.497 . -1.339 -0.110 5.546 5 . 17632 PTR CB . CB . . C . . N 0 . . . . no no . . . . 44.332 . 11.618 . 0.644 . -0.250 -0.760 2.538 6 . 17632 PTR CG . CG . . C . . N 0 . . . . yes no . . . . 44.885 . 12.640 . 1.620 . -0.138 -0.254 1.123 7 . 17632 PTR CD1 . CD1 . . C . . N 0 . . . . yes no . . . . 45.913 . 12.302 . 2.506 . 1.089 -0.250 0.487 8 . 17632 PTR CD2 . CD2 . . C . . N 0 . . . . yes no . . . . 44.319 . 13.921 . 1.716 . -1.264 0.198 0.461 9 . 17632 PTR CE1 . CE1 . . C . . N 0 . . . . yes no . . . . 46.364 . 13.214 . 3.480 . 1.194 0.212 -0.810 10 . 17632 PTR CE2 . CE2 . . C . . N 0 . . . . yes no . . . . 44.753 . 14.849 . 2.683 . -1.163 0.668 -0.834 11 . 17632 PTR CZ . CZ . . C . . N 0 . . . . yes no . . . . 45.772 . 14.487 . 3.562 . 0.067 0.673 -1.474 12 . 17632 PTR OH . OH . . O . . N 0 . . . . no no . . . . 46.216 . 15.385 . 4.594 . 0.168 1.129 -2.750 13 . 17632 PTR P . P . . P . . N 0 . . . . no no . . . . 45.382 . 15.884 . 5.757 . -0.065 -0.136 -3.717 14 . 17632 PTR O1P . O1P . . O . . N 0 . . . . no no . . . . 44.096 . 16.422 . 5.355 . -1.409 -0.705 -3.467 15 . 17632 PTR O2P . O2P . . O . . N 0 . . . . no no . . . . 46.274 . 16.938 . 6.218 . 0.040 0.334 -5.253 16 . 17632 PTR O3P . O3P . . O . . N 0 . . . . no no . . . . 45.279 . 14.830 . 6.778 . 1.053 -1.253 -3.419 17 . 17632 PTR H . H . . H . . N 0 . . . . no no . . . . 46.360 . 10.204 . -0.256 . 1.963 0.235 3.473 18 . 17632 PTR HN2 . HN2 . . H . . N 0 . . . . no yes . . . . 46.972 . 11.785 . -0.159 . 1.365 1.204 2.322 19 . 17632 PTR HA . HA . . H . . N 0 . . . . no no . . . . 44.360 . 10.939 . -1.392 . -0.793 1.164 3.339 20 . 17632 PTR HXT . HXT . . H . . N 0 . . . . no yes . . . . 46.093 . 14.445 . -1.877 . -1.411 -0.435 6.454 21 . 17632 PTR HB2 . HB2 . . H . . N 0 . . . . no no . . . . 43.226 . 11.735 . 0.556 . 0.506 -1.525 2.711 22 . 17632 PTR HB3 . HB3 . . H . . N 0 . . . . no no . . . . 44.388 . 10.597 . 1.089 . -1.241 -1.187 2.694 23 . 17632 PTR HD1 . HD1 . . H . . N 0 . . . . no no . . . . 46.374 . 11.302 . 2.435 . 1.966 -0.609 1.004 24 . 17632 PTR HD2 . HD2 . . H . . N 0 . . . . no no . . . . 43.515 . 14.204 . 1.015 . -2.222 0.194 0.959 25 . 17632 PTR HE1 . HE1 . . H . . N 0 . . . . no no . . . . 47.174 . 12.933 . 4.173 . 2.154 0.216 -1.306 26 . 17632 PTR HE2 . HE2 . . H . . N 0 . . . . no no . . . . 44.298 . 15.851 . 2.751 . -2.041 1.026 -1.349 27 . 17632 PTR HO2P . HO2P . . H . . N 0 . . . . no no . . . . 45.751 . 17.250 . 6.947 . -0.105 -0.451 -5.797 28 . 17632 PTR HO3P . HO3P . . H . . N 0 . . . . no no . . . . 44.756 . 15.142 . 7.507 . 1.911 -0.843 -3.593 29 . 17632 PTR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 17632 PTR 2 . SING N H no N 2 . 17632 PTR 3 . SING N HN2 no N 3 . 17632 PTR 4 . SING CA C no N 4 . 17632 PTR 5 . SING CA CB no N 5 . 17632 PTR 6 . SING CA HA no N 6 . 17632 PTR 7 . DOUB C O no N 7 . 17632 PTR 8 . SING C OXT no N 8 . 17632 PTR 9 . SING OXT HXT no N 9 . 17632 PTR 10 . SING CB CG no N 10 . 17632 PTR 11 . SING CB HB2 no N 11 . 17632 PTR 12 . SING CB HB3 no N 12 . 17632 PTR 13 . DOUB CG CD1 yes N 13 . 17632 PTR 14 . SING CG CD2 yes N 14 . 17632 PTR 15 . SING CD1 CE1 yes N 15 . 17632 PTR 16 . SING CD1 HD1 no N 16 . 17632 PTR 17 . DOUB CD2 CE2 yes N 17 . 17632 PTR 18 . SING CD2 HD2 no N 18 . 17632 PTR 19 . DOUB CE1 CZ yes N 19 . 17632 PTR 20 . SING CE1 HE1 no N 20 . 17632 PTR 21 . SING CE2 CZ yes N 21 . 17632 PTR 22 . SING CE2 HE2 no N 22 . 17632 PTR 23 . SING CZ OH no N 23 . 17632 PTR 24 . SING OH P no N 24 . 17632 PTR 25 . DOUB P O1P no N 25 . 17632 PTR 26 . SING P O2P no N 26 . 17632 PTR 27 . SING P O3P no N 27 . 17632 PTR 28 . SING O2P HO2P no N 28 . 17632 PTR 29 . SING O3P HO3P no N 29 . 17632 PTR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17632 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 1.1 . . mM . . . . 17632 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17632 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17632 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17632 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17632 1 6 entity_2 'natural abundance' . . 2 $entity_2 . . 1.1 . . mM . . . . 17632 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17632 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17632 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17632 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 17632 1 pH 7 . pH 17632 1 pressure 1 . atm 17632 1 temperature 298 . K 17632 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17632 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17632 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17632 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17632 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17632 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17632 2 'structure solution' 17632 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17632 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17632 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17632 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 17632 1 2 spectrometer_2 Bruker DRX . 500 . . . 17632 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 17632 _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 CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17632 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17632 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17632 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17632 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17632 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17632 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17632 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17632 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17632 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17632 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17632 1 12 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17632 1 13 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17632 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17632 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17632 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17632 1 H 1 water protons . . . . ppm . internal direct 1.000000000 . . . . . . . . . 17632 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17632 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17632 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 17632 1 2 '3D HNCACB' . . . 17632 1 3 '3D HNCA' . . . 17632 1 4 '3D HN(CO)CA' . . . 17632 1 5 '3D HBHA(CO)NH' . . . 17632 1 6 '3D HCCH-TOCSY' . . . 17632 1 7 '3D C(CO)NH' . . . 17632 1 8 '3D H(CCO)NH' . . . 17632 1 12 '2D 1H-13C HSQC aromatic' . . . 17632 1 13 '2D 1H-1H TOCSY' . . . 17632 1 14 '2D 1H-1H NOESY' . . . 17632 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 HIS HA H 1 4.627 0.02 . 1 . . . A 662 HIS HA . 17632 1 2 . 1 1 2 2 HIS HB2 H 1 3.090 0.02 . 2 . . . A 662 HIS HB2 . 17632 1 3 . 1 1 2 2 HIS HB3 H 1 3.061 0.02 . 2 . . . A 662 HIS HB3 . 17632 1 4 . 1 1 2 2 HIS HD2 H 1 6.983 0.02 . 1 . . . A 662 HIS HD2 . 17632 1 5 . 1 1 2 2 HIS HE1 H 1 7.744 0.02 . 1 . . . A 662 HIS HE1 . 17632 1 6 . 1 1 2 2 HIS CA C 13 56.746 0.3 . 1 . . . A 662 HIS CA . 17632 1 7 . 1 1 2 2 HIS CB C 13 31.121 0.3 . 1 . . . A 662 HIS CB . 17632 1 8 . 1 1 2 2 HIS CD2 C 13 119.820 0.3 . 1 . . . A 662 HIS CD2 . 17632 1 9 . 1 1 2 2 HIS CE1 C 13 138.682 0.3 . 1 . . . A 662 HIS CE1 . 17632 1 10 . 1 1 3 3 MET HA H 1 4.391 0.02 . 1 . . . A 663 MET HA . 17632 1 11 . 1 1 3 3 MET HB2 H 1 2.015 0.02 . 2 . . . A 663 MET HB2 . 17632 1 12 . 1 1 3 3 MET HB3 H 1 1.964 0.02 . 2 . . . A 663 MET HB3 . 17632 1 13 . 1 1 3 3 MET HG2 H 1 2.526 0.02 . 2 . . . A 663 MET HG2 . 17632 1 14 . 1 1 3 3 MET HG3 H 1 2.467 0.02 . 2 . . . A 663 MET HG3 . 17632 1 15 . 1 1 3 3 MET CA C 13 55.760 0.3 . 1 . . . A 663 MET CA . 17632 1 16 . 1 1 3 3 MET CB C 13 32.545 0.3 . 1 . . . A 663 MET CB . 17632 1 17 . 1 1 3 3 MET CG C 13 31.925 0.3 . 1 . . . A 663 MET CG . 17632 1 18 . 1 1 4 4 GLN H H 1 8.331 0.02 . 1 . . . A 664 GLN H . 17632 1 19 . 1 1 4 4 GLN HA H 1 4.194 0.02 . 1 . . . A 664 GLN HA . 17632 1 20 . 1 1 4 4 GLN HB2 H 1 1.971 0.02 . 2 . . . A 664 GLN HB2 . 17632 1 21 . 1 1 4 4 GLN HB3 H 1 1.937 0.02 . 2 . . . A 664 GLN HB3 . 17632 1 22 . 1 1 4 4 GLN HG2 H 1 2.283 0.02 . 1 . . . A 664 GLN HG2 . 17632 1 23 . 1 1 4 4 GLN HG3 H 1 2.283 0.02 . 1 . . . A 664 GLN HG3 . 17632 1 24 . 1 1 4 4 GLN CA C 13 56.341 0.3 . 1 . . . A 664 GLN CA . 17632 1 25 . 1 1 4 4 GLN CB C 13 29.455 0.3 . 1 . . . A 664 GLN CB . 17632 1 26 . 1 1 4 4 GLN CG C 13 33.914 0.3 . 1 . . . A 664 GLN CG . 17632 1 27 . 1 1 4 4 GLN N N 15 121.394 0.2 . 1 . . . A 664 GLN N . 17632 1 28 . 1 1 5 5 ASP H H 1 8.254 0.02 . 1 . . . A 665 ASP H . 17632 1 29 . 1 1 5 5 ASP HA H 1 4.499 0.02 . 1 . . . A 665 ASP HA . 17632 1 30 . 1 1 5 5 ASP HB2 H 1 2.697 0.02 . 2 . . . A 665 ASP HB2 . 17632 1 31 . 1 1 5 5 ASP HB3 H 1 2.571 0.02 . 2 . . . A 665 ASP HB3 . 17632 1 32 . 1 1 5 5 ASP CA C 13 54.074 0.3 . 1 . . . A 665 ASP CA . 17632 1 33 . 1 1 5 5 ASP CB C 13 40.597 0.3 . 1 . . . A 665 ASP CB . 17632 1 34 . 1 1 5 5 ASP N N 15 121.458 0.2 . 1 . . . A 665 ASP N . 17632 1 35 . 1 1 6 6 LEU H H 1 8.079 0.02 . 1 . . . A 666 LEU H . 17632 1 36 . 1 1 6 6 LEU HA H 1 3.896 0.02 . 1 . . . A 666 LEU HA . 17632 1 37 . 1 1 6 6 LEU HB2 H 1 0.832 0.02 . 2 . . . A 666 LEU HB2 . 17632 1 38 . 1 1 6 6 LEU HB3 H 1 0.490 0.02 . 2 . . . A 666 LEU HB3 . 17632 1 39 . 1 1 6 6 LEU HG H 1 1.385 0.02 . 1 . . . A 666 LEU HG . 17632 1 40 . 1 1 6 6 LEU HD11 H 1 0.478 0.02 . 2 . . . A 666 LEU HD11 . 17632 1 41 . 1 1 6 6 LEU HD12 H 1 0.478 0.02 . 2 . . . A 666 LEU HD12 . 17632 1 42 . 1 1 6 6 LEU HD13 H 1 0.478 0.02 . 2 . . . A 666 LEU HD13 . 17632 1 43 . 1 1 6 6 LEU HD21 H 1 0.586 0.02 . 2 . . . A 666 LEU HD21 . 17632 1 44 . 1 1 6 6 LEU HD22 H 1 0.586 0.02 . 2 . . . A 666 LEU HD22 . 17632 1 45 . 1 1 6 6 LEU HD23 H 1 0.586 0.02 . 2 . . . A 666 LEU HD23 . 17632 1 46 . 1 1 6 6 LEU CA C 13 55.680 0.3 . 1 . . . A 666 LEU CA . 17632 1 47 . 1 1 6 6 LEU CB C 13 40.890 0.3 . 1 . . . A 666 LEU CB . 17632 1 48 . 1 1 6 6 LEU CG C 13 26.394 0.3 . 1 . . . A 666 LEU CG . 17632 1 49 . 1 1 6 6 LEU CD1 C 13 26.003 0.3 . 2 . . . A 666 LEU CD1 . 17632 1 50 . 1 1 6 6 LEU CD2 C 13 22.962 0.3 . 2 . . . A 666 LEU CD2 . 17632 1 51 . 1 1 6 6 LEU N N 15 123.661 0.2 . 1 . . . A 666 LEU N . 17632 1 52 . 1 1 7 7 SER H H 1 7.953 0.02 . 1 . . . A 667 SER H . 17632 1 53 . 1 1 7 7 SER HA H 1 4.149 0.02 . 1 . . . A 667 SER HA . 17632 1 54 . 1 1 7 7 SER HB2 H 1 3.929 0.02 . 1 . . . A 667 SER HB2 . 17632 1 55 . 1 1 7 7 SER HB3 H 1 3.929 0.02 . 1 . . . A 667 SER HB3 . 17632 1 56 . 1 1 7 7 SER CA C 13 61.219 0.3 . 1 . . . A 667 SER CA . 17632 1 57 . 1 1 7 7 SER CB C 13 63.001 0.3 . 1 . . . A 667 SER CB . 17632 1 58 . 1 1 7 7 SER N N 15 111.946 0.2 . 1 . . . A 667 SER N . 17632 1 59 . 1 1 8 8 VAL H H 1 6.657 0.02 . 1 . . . A 668 VAL H . 17632 1 60 . 1 1 8 8 VAL HA H 1 3.803 0.02 . 1 . . . A 668 VAL HA . 17632 1 61 . 1 1 8 8 VAL HB H 1 1.858 0.02 . 1 . . . A 668 VAL HB . 17632 1 62 . 1 1 8 8 VAL HG11 H 1 0.559 0.02 . 2 . . . A 668 VAL HG11 . 17632 1 63 . 1 1 8 8 VAL HG12 H 1 0.559 0.02 . 2 . . . A 668 VAL HG12 . 17632 1 64 . 1 1 8 8 VAL HG13 H 1 0.559 0.02 . 2 . . . A 668 VAL HG13 . 17632 1 65 . 1 1 8 8 VAL HG21 H 1 0.334 0.02 . 2 . . . A 668 VAL HG21 . 17632 1 66 . 1 1 8 8 VAL HG22 H 1 0.334 0.02 . 2 . . . A 668 VAL HG22 . 17632 1 67 . 1 1 8 8 VAL HG23 H 1 0.334 0.02 . 2 . . . A 668 VAL HG23 . 17632 1 68 . 1 1 8 8 VAL CA C 13 62.168 0.3 . 1 . . . A 668 VAL CA . 17632 1 69 . 1 1 8 8 VAL CB C 13 31.064 0.3 . 1 . . . A 668 VAL CB . 17632 1 70 . 1 1 8 8 VAL CG1 C 13 20.323 0.3 . 2 . . . A 668 VAL CG1 . 17632 1 71 . 1 1 8 8 VAL CG2 C 13 18.353 0.3 . 2 . . . A 668 VAL CG2 . 17632 1 72 . 1 1 8 8 VAL N N 15 114.491 0.2 . 1 . . . A 668 VAL N . 17632 1 73 . 1 1 9 9 HIS H H 1 7.189 0.02 . 1 . . . A 669 HIS H . 17632 1 74 . 1 1 9 9 HIS HA H 1 4.238 0.02 . 1 . . . A 669 HIS HA . 17632 1 75 . 1 1 9 9 HIS HB2 H 1 1.735 0.02 . 2 . . . A 669 HIS HB2 . 17632 1 76 . 1 1 9 9 HIS HB3 H 1 0.794 0.02 . 2 . . . A 669 HIS HB3 . 17632 1 77 . 1 1 9 9 HIS HD2 H 1 6.470 0.02 . 1 . . . A 669 HIS HD2 . 17632 1 78 . 1 1 9 9 HIS HE1 H 1 7.689 0.02 . 1 . . . A 669 HIS HE1 . 17632 1 79 . 1 1 9 9 HIS CA C 13 55.712 0.3 . 1 . . . A 669 HIS CA . 17632 1 80 . 1 1 9 9 HIS CB C 13 29.747 0.3 . 1 . . . A 669 HIS CB . 17632 1 81 . 1 1 9 9 HIS CD2 C 13 120.222 0.3 . 1 . . . A 669 HIS CD2 . 17632 1 82 . 1 1 9 9 HIS CE1 C 13 138.542 0.3 . 1 . . . A 669 HIS CE1 . 17632 1 83 . 1 1 9 9 HIS N N 15 120.356 0.2 . 1 . . . A 669 HIS N . 17632 1 84 . 1 1 10 10 LEU H H 1 9.093 0.02 . 1 . . . A 670 LEU H . 17632 1 85 . 1 1 10 10 LEU HA H 1 3.873 0.02 . 1 . . . A 670 LEU HA . 17632 1 86 . 1 1 10 10 LEU HB2 H 1 1.574 0.02 . 2 . . . A 670 LEU HB2 . 17632 1 87 . 1 1 10 10 LEU HB3 H 1 1.382 0.02 . 2 . . . A 670 LEU HB3 . 17632 1 88 . 1 1 10 10 LEU HG H 1 1.659 0.02 . 1 . . . A 670 LEU HG . 17632 1 89 . 1 1 10 10 LEU HD11 H 1 0.866 0.02 . 2 . . . A 670 LEU HD11 . 17632 1 90 . 1 1 10 10 LEU HD12 H 1 0.866 0.02 . 2 . . . A 670 LEU HD12 . 17632 1 91 . 1 1 10 10 LEU HD13 H 1 0.866 0.02 . 2 . . . A 670 LEU HD13 . 17632 1 92 . 1 1 10 10 LEU HD21 H 1 0.646 0.02 . 2 . . . A 670 LEU HD21 . 17632 1 93 . 1 1 10 10 LEU HD22 H 1 0.646 0.02 . 2 . . . A 670 LEU HD22 . 17632 1 94 . 1 1 10 10 LEU HD23 H 1 0.646 0.02 . 2 . . . A 670 LEU HD23 . 17632 1 95 . 1 1 10 10 LEU CA C 13 56.502 0.3 . 1 . . . A 670 LEU CA . 17632 1 96 . 1 1 10 10 LEU CB C 13 41.272 0.3 . 1 . . . A 670 LEU CB . 17632 1 97 . 1 1 10 10 LEU CG C 13 27.215 0.3 . 1 . . . A 670 LEU CG . 17632 1 98 . 1 1 10 10 LEU CD1 C 13 25.459 0.3 . 2 . . . A 670 LEU CD1 . 17632 1 99 . 1 1 10 10 LEU CD2 C 13 22.316 0.3 . 2 . . . A 670 LEU CD2 . 17632 1 100 . 1 1 10 10 LEU N N 15 123.398 0.2 . 1 . . . A 670 LEU N . 17632 1 101 . 1 1 11 11 TRP H H 1 6.355 0.02 . 1 . . . A 671 TRP H . 17632 1 102 . 1 1 11 11 TRP HA H 1 4.708 0.02 . 1 . . . A 671 TRP HA . 17632 1 103 . 1 1 11 11 TRP HB2 H 1 3.524 0.02 . 2 . . . A 671 TRP HB2 . 17632 1 104 . 1 1 11 11 TRP HB3 H 1 2.475 0.02 . 2 . . . A 671 TRP HB3 . 17632 1 105 . 1 1 11 11 TRP HD1 H 1 7.318 0.02 . 1 . . . A 671 TRP HD1 . 17632 1 106 . 1 1 11 11 TRP HE3 H 1 7.324 0.02 . 1 . . . A 671 TRP HE3 . 17632 1 107 . 1 1 11 11 TRP HZ2 H 1 6.676 0.02 . 1 . . . A 671 TRP HZ2 . 17632 1 108 . 1 1 11 11 TRP HZ3 H 1 6.699 0.02 . 1 . . . A 671 TRP HZ3 . 17632 1 109 . 1 1 11 11 TRP HH2 H 1 7.063 0.02 . 1 . . . A 671 TRP HH2 . 17632 1 110 . 1 1 11 11 TRP CA C 13 53.024 0.3 . 1 . . . A 671 TRP CA . 17632 1 111 . 1 1 11 11 TRP CB C 13 33.088 0.3 . 1 . . . A 671 TRP CB . 17632 1 112 . 1 1 11 11 TRP CD1 C 13 129.233 0.3 . 1 . . . A 671 TRP CD1 . 17632 1 113 . 1 1 11 11 TRP CE3 C 13 120.711 0.3 . 1 . . . A 671 TRP CE3 . 17632 1 114 . 1 1 11 11 TRP CZ2 C 13 115.401 0.3 . 1 . . . A 671 TRP CZ2 . 17632 1 115 . 1 1 11 11 TRP CZ3 C 13 119.885 0.3 . 1 . . . A 671 TRP CZ3 . 17632 1 116 . 1 1 11 11 TRP CH2 C 13 123.359 0.3 . 1 . . . A 671 TRP CH2 . 17632 1 117 . 1 1 11 11 TRP N N 15 107.380 0.2 . 1 . . . A 671 TRP N . 17632 1 118 . 1 1 12 12 TYR H H 1 7.438 0.02 . 1 . . . A 672 TYR H . 17632 1 119 . 1 1 12 12 TYR HA H 1 5.148 0.02 . 1 . . . A 672 TYR HA . 17632 1 120 . 1 1 12 12 TYR HB2 H 1 2.864 0.02 . 2 . . . A 672 TYR HB2 . 17632 1 121 . 1 1 12 12 TYR HB3 H 1 2.411 0.02 . 2 . . . A 672 TYR HB3 . 17632 1 122 . 1 1 12 12 TYR HD1 H 1 6.976 0.02 . 3 . . . A 672 TYR HD1 . 17632 1 123 . 1 1 12 12 TYR HD2 H 1 6.976 0.02 . 3 . . . A 672 TYR HD2 . 17632 1 124 . 1 1 12 12 TYR HE1 H 1 6.827 0.02 . 3 . . . A 672 TYR HE1 . 17632 1 125 . 1 1 12 12 TYR HE2 H 1 6.827 0.02 . 3 . . . A 672 TYR HE2 . 17632 1 126 . 1 1 12 12 TYR CA C 13 59.370 0.3 . 1 . . . A 672 TYR CA . 17632 1 127 . 1 1 12 12 TYR CB C 13 38.582 0.3 . 1 . . . A 672 TYR CB . 17632 1 128 . 1 1 12 12 TYR CD1 C 13 133.560 0.3 . 3 . . . A 672 TYR CD1 . 17632 1 129 . 1 1 12 12 TYR CD2 C 13 133.560 0.3 . 3 . . . A 672 TYR CD2 . 17632 1 130 . 1 1 12 12 TYR CE1 C 13 118.368 0.3 . 3 . . . A 672 TYR CE1 . 17632 1 131 . 1 1 12 12 TYR CE2 C 13 118.368 0.3 . 3 . . . A 672 TYR CE2 . 17632 1 132 . 1 1 12 12 TYR N N 15 122.597 0.2 . 1 . . . A 672 TYR N . 17632 1 133 . 1 1 13 13 ALA H H 1 9.104 0.02 . 1 . . . A 673 ALA H . 17632 1 134 . 1 1 13 13 ALA HA H 1 4.567 0.02 . 1 . . . A 673 ALA HA . 17632 1 135 . 1 1 13 13 ALA HB1 H 1 1.128 0.02 . 1 . . . A 673 ALA HB1 . 17632 1 136 . 1 1 13 13 ALA HB2 H 1 1.128 0.02 . 1 . . . A 673 ALA HB2 . 17632 1 137 . 1 1 13 13 ALA HB3 H 1 1.128 0.02 . 1 . . . A 673 ALA HB3 . 17632 1 138 . 1 1 13 13 ALA CA C 13 51.369 0.3 . 1 . . . A 673 ALA CA . 17632 1 139 . 1 1 13 13 ALA CB C 13 22.106 0.3 . 1 . . . A 673 ALA CB . 17632 1 140 . 1 1 13 13 ALA N N 15 129.686 0.2 . 1 . . . A 673 ALA N . 17632 1 141 . 1 1 14 14 GLY H H 1 5.183 0.02 . 1 . . . A 674 GLY H . 17632 1 142 . 1 1 14 14 GLY HA2 H 1 4.197 0.02 . 2 . . . A 674 GLY HA2 . 17632 1 143 . 1 1 14 14 GLY HA3 H 1 3.491 0.02 . 2 . . . A 674 GLY HA3 . 17632 1 144 . 1 1 14 14 GLY CA C 13 44.879 0.3 . 1 . . . A 674 GLY CA . 17632 1 145 . 1 1 14 14 GLY N N 15 103.512 0.2 . 1 . . . A 674 GLY N . 17632 1 146 . 1 1 15 15 PRO HA H 1 5.045 0.02 . 1 . . . A 675 PRO HA . 17632 1 147 . 1 1 15 15 PRO HB2 H 1 1.956 0.02 . 1 . . . A 675 PRO HB2 . 17632 1 148 . 1 1 15 15 PRO HB3 H 1 1.956 0.02 . 1 . . . A 675 PRO HB3 . 17632 1 149 . 1 1 15 15 PRO HG2 H 1 2.086 0.02 . 2 . . . A 675 PRO HG2 . 17632 1 150 . 1 1 15 15 PRO HG3 H 1 2.009 0.02 . 2 . . . A 675 PRO HG3 . 17632 1 151 . 1 1 15 15 PRO HD2 H 1 3.688 0.02 . 2 . . . A 675 PRO HD2 . 17632 1 152 . 1 1 15 15 PRO HD3 H 1 3.623 0.02 . 2 . . . A 675 PRO HD3 . 17632 1 153 . 1 1 15 15 PRO CA C 13 62.368 0.3 . 1 . . . A 675 PRO CA . 17632 1 154 . 1 1 15 15 PRO CB C 13 30.000 0.3 . 1 . . . A 675 PRO CB . 17632 1 155 . 1 1 15 15 PRO CG C 13 27.408 0.3 . 1 . . . A 675 PRO CG . 17632 1 156 . 1 1 15 15 PRO CD C 13 49.448 0.3 . 1 . . . A 675 PRO CD . 17632 1 157 . 1 1 16 16 MET H H 1 8.055 0.02 . 1 . . . A 676 MET H . 17632 1 158 . 1 1 16 16 MET HA H 1 4.186 0.02 . 1 . . . A 676 MET HA . 17632 1 159 . 1 1 16 16 MET HB2 H 1 1.997 0.02 . 2 . . . A 676 MET HB2 . 17632 1 160 . 1 1 16 16 MET HB3 H 1 1.359 0.02 . 2 . . . A 676 MET HB3 . 17632 1 161 . 1 1 16 16 MET HG2 H 1 2.631 0.02 . 2 . . . A 676 MET HG2 . 17632 1 162 . 1 1 16 16 MET HG3 H 1 2.352 0.02 . 2 . . . A 676 MET HG3 . 17632 1 163 . 1 1 16 16 MET CA C 13 56.320 0.3 . 1 . . . A 676 MET CA . 17632 1 164 . 1 1 16 16 MET CB C 13 35.854 0.3 . 1 . . . A 676 MET CB . 17632 1 165 . 1 1 16 16 MET CG C 13 30.511 0.3 . 1 . . . A 676 MET CG . 17632 1 166 . 1 1 16 16 MET N N 15 126.082 0.2 . 1 . . . A 676 MET N . 17632 1 167 . 1 1 17 17 GLU H H 1 8.778 0.02 . 1 . . . A 677 GLU H . 17632 1 168 . 1 1 17 17 GLU HA H 1 4.310 0.02 . 1 . . . A 677 GLU HA . 17632 1 169 . 1 1 17 17 GLU HB2 H 1 2.227 0.02 . 2 . . . A 677 GLU HB2 . 17632 1 170 . 1 1 17 17 GLU HB3 H 1 1.954 0.02 . 2 . . . A 677 GLU HB3 . 17632 1 171 . 1 1 17 17 GLU HG2 H 1 2.332 0.02 . 2 . . . A 677 GLU HG2 . 17632 1 172 . 1 1 17 17 GLU HG3 H 1 2.274 0.02 . 2 . . . A 677 GLU HG3 . 17632 1 173 . 1 1 17 17 GLU CA C 13 55.867 0.3 . 1 . . . A 677 GLU CA . 17632 1 174 . 1 1 17 17 GLU CB C 13 30.384 0.3 . 1 . . . A 677 GLU CB . 17632 1 175 . 1 1 17 17 GLU CG C 13 36.727 0.3 . 1 . . . A 677 GLU CG . 17632 1 176 . 1 1 17 17 GLU N N 15 126.362 0.2 . 1 . . . A 677 GLU N . 17632 1 177 . 1 1 18 18 ARG H H 1 9.179 0.02 . 1 . . . A 678 ARG H . 17632 1 178 . 1 1 18 18 ARG HA H 1 3.274 0.02 . 1 . . . A 678 ARG HA . 17632 1 179 . 1 1 18 18 ARG HB2 H 1 1.851 0.02 . 2 . . . A 678 ARG HB2 . 17632 1 180 . 1 1 18 18 ARG HB3 H 1 1.487 0.02 . 2 . . . A 678 ARG HB3 . 17632 1 181 . 1 1 18 18 ARG HG2 H 1 1.036 0.02 . 2 . . . A 678 ARG HG2 . 17632 1 182 . 1 1 18 18 ARG HG3 H 1 0.244 0.02 . 2 . . . A 678 ARG HG3 . 17632 1 183 . 1 1 18 18 ARG HD2 H 1 2.725 0.02 . 1 . . . A 678 ARG HD2 . 17632 1 184 . 1 1 18 18 ARG HD3 H 1 2.725 0.02 . 1 . . . A 678 ARG HD3 . 17632 1 185 . 1 1 18 18 ARG CA C 13 60.848 0.3 . 1 . . . A 678 ARG CA . 17632 1 186 . 1 1 18 18 ARG CB C 13 29.894 0.3 . 1 . . . A 678 ARG CB . 17632 1 187 . 1 1 18 18 ARG CG C 13 27.232 0.3 . 1 . . . A 678 ARG CG . 17632 1 188 . 1 1 18 18 ARG CD C 13 42.561 0.3 . 1 . . . A 678 ARG CD . 17632 1 189 . 1 1 18 18 ARG N N 15 124.550 0.2 . 1 . . . A 678 ARG N . 17632 1 190 . 1 1 19 19 ALA H H 1 8.747 0.02 . 1 . . . A 679 ALA H . 17632 1 191 . 1 1 19 19 ALA HA H 1 4.012 0.02 . 1 . . . A 679 ALA HA . 17632 1 192 . 1 1 19 19 ALA HB1 H 1 1.315 0.02 . 1 . . . A 679 ALA HB1 . 17632 1 193 . 1 1 19 19 ALA HB2 H 1 1.315 0.02 . 1 . . . A 679 ALA HB2 . 17632 1 194 . 1 1 19 19 ALA HB3 H 1 1.315 0.02 . 1 . . . A 679 ALA HB3 . 17632 1 195 . 1 1 19 19 ALA CA C 13 55.135 0.3 . 1 . . . A 679 ALA CA . 17632 1 196 . 1 1 19 19 ALA CB C 13 18.070 0.3 . 1 . . . A 679 ALA CB . 17632 1 197 . 1 1 19 19 ALA N N 15 118.733 0.2 . 1 . . . A 679 ALA N . 17632 1 198 . 1 1 20 20 GLY H H 1 7.211 0.02 . 1 . . . A 680 GLY H . 17632 1 199 . 1 1 20 20 GLY HA2 H 1 3.812 0.02 . 2 . . . A 680 GLY HA2 . 17632 1 200 . 1 1 20 20 GLY HA3 H 1 3.672 0.02 . 2 . . . A 680 GLY HA3 . 17632 1 201 . 1 1 20 20 GLY CA C 13 46.775 0.3 . 1 . . . A 680 GLY CA . 17632 1 202 . 1 1 20 20 GLY N N 15 106.343 0.2 . 1 . . . A 680 GLY N . 17632 1 203 . 1 1 21 21 ALA H H 1 7.573 0.02 . 1 . . . A 681 ALA H . 17632 1 204 . 1 1 21 21 ALA HA H 1 3.956 0.02 . 1 . . . A 681 ALA HA . 17632 1 205 . 1 1 21 21 ALA HB1 H 1 1.296 0.02 . 1 . . . A 681 ALA HB1 . 17632 1 206 . 1 1 21 21 ALA HB2 H 1 1.296 0.02 . 1 . . . A 681 ALA HB2 . 17632 1 207 . 1 1 21 21 ALA HB3 H 1 1.296 0.02 . 1 . . . A 681 ALA HB3 . 17632 1 208 . 1 1 21 21 ALA CA C 13 54.531 0.3 . 1 . . . A 681 ALA CA . 17632 1 209 . 1 1 21 21 ALA CB C 13 18.877 0.3 . 1 . . . A 681 ALA CB . 17632 1 210 . 1 1 21 21 ALA N N 15 124.786 0.2 . 1 . . . A 681 ALA N . 17632 1 211 . 1 1 22 22 GLU H H 1 8.235 0.02 . 1 . . . A 682 GLU H . 17632 1 212 . 1 1 22 22 GLU HA H 1 3.728 0.02 . 1 . . . A 682 GLU HA . 17632 1 213 . 1 1 22 22 GLU HB2 H 1 2.051 0.02 . 1 . . . A 682 GLU HB2 . 17632 1 214 . 1 1 22 22 GLU HB3 H 1 2.051 0.02 . 1 . . . A 682 GLU HB3 . 17632 1 215 . 1 1 22 22 GLU HG2 H 1 2.681 0.02 . 2 . . . A 682 GLU HG2 . 17632 1 216 . 1 1 22 22 GLU HG3 H 1 2.027 0.02 . 2 . . . A 682 GLU HG3 . 17632 1 217 . 1 1 22 22 GLU CA C 13 60.398 0.3 . 1 . . . A 682 GLU CA . 17632 1 218 . 1 1 22 22 GLU CB C 13 28.193 0.3 . 1 . . . A 682 GLU CB . 17632 1 219 . 1 1 22 22 GLU CG C 13 37.635 0.3 . 1 . . . A 682 GLU CG . 17632 1 220 . 1 1 22 22 GLU N N 15 115.809 0.2 . 1 . . . A 682 GLU N . 17632 1 221 . 1 1 23 23 SER H H 1 7.740 0.02 . 1 . . . A 683 SER H . 17632 1 222 . 1 1 23 23 SER HA H 1 4.181 0.02 . 1 . . . A 683 SER HA . 17632 1 223 . 1 1 23 23 SER HB2 H 1 3.938 0.02 . 1 . . . A 683 SER HB2 . 17632 1 224 . 1 1 23 23 SER HB3 H 1 3.938 0.02 . 1 . . . A 683 SER HB3 . 17632 1 225 . 1 1 23 23 SER CA C 13 61.316 0.3 . 1 . . . A 683 SER CA . 17632 1 226 . 1 1 23 23 SER CB C 13 62.894 0.3 . 1 . . . A 683 SER CB . 17632 1 227 . 1 1 23 23 SER N N 15 112.981 0.2 . 1 . . . A 683 SER N . 17632 1 228 . 1 1 24 24 ILE H H 1 7.534 0.02 . 1 . . . A 684 ILE H . 17632 1 229 . 1 1 24 24 ILE HA H 1 3.921 0.02 . 1 . . . A 684 ILE HA . 17632 1 230 . 1 1 24 24 ILE HB H 1 1.700 0.02 . 1 . . . A 684 ILE HB . 17632 1 231 . 1 1 24 24 ILE HG12 H 1 1.569 0.02 . 2 . . . A 684 ILE HG12 . 17632 1 232 . 1 1 24 24 ILE HG13 H 1 1.205 0.02 . 2 . . . A 684 ILE HG13 . 17632 1 233 . 1 1 24 24 ILE HG21 H 1 0.749 0.02 . 1 . . . A 684 ILE HG21 . 17632 1 234 . 1 1 24 24 ILE HG22 H 1 0.749 0.02 . 1 . . . A 684 ILE HG22 . 17632 1 235 . 1 1 24 24 ILE HG23 H 1 0.749 0.02 . 1 . . . A 684 ILE HG23 . 17632 1 236 . 1 1 24 24 ILE HD11 H 1 0.734 0.02 . 1 . . . A 684 ILE HD11 . 17632 1 237 . 1 1 24 24 ILE HD12 H 1 0.734 0.02 . 1 . . . A 684 ILE HD12 . 17632 1 238 . 1 1 24 24 ILE HD13 H 1 0.734 0.02 . 1 . . . A 684 ILE HD13 . 17632 1 239 . 1 1 24 24 ILE CA C 13 63.781 0.3 . 1 . . . A 684 ILE CA . 17632 1 240 . 1 1 24 24 ILE CB C 13 38.484 0.3 . 1 . . . A 684 ILE CB . 17632 1 241 . 1 1 24 24 ILE CG1 C 13 29.678 0.3 . 1 . . . A 684 ILE CG1 . 17632 1 242 . 1 1 24 24 ILE CG2 C 13 17.887 0.3 . 1 . . . A 684 ILE CG2 . 17632 1 243 . 1 1 24 24 ILE CD1 C 13 13.885 0.3 . 1 . . . A 684 ILE CD1 . 17632 1 244 . 1 1 24 24 ILE N N 15 119.881 0.2 . 1 . . . A 684 ILE N . 17632 1 245 . 1 1 25 25 LEU H H 1 7.438 0.02 . 1 . . . A 685 LEU H . 17632 1 246 . 1 1 25 25 LEU HA H 1 4.134 0.02 . 1 . . . A 685 LEU HA . 17632 1 247 . 1 1 25 25 LEU HB2 H 1 1.640 0.02 . 2 . . . A 685 LEU HB2 . 17632 1 248 . 1 1 25 25 LEU HB3 H 1 1.239 0.02 . 2 . . . A 685 LEU HB3 . 17632 1 249 . 1 1 25 25 LEU HG H 1 1.599 0.02 . 1 . . . A 685 LEU HG . 17632 1 250 . 1 1 25 25 LEU HD11 H 1 0.518 0.02 . 2 . . . A 685 LEU HD11 . 17632 1 251 . 1 1 25 25 LEU HD12 H 1 0.518 0.02 . 2 . . . A 685 LEU HD12 . 17632 1 252 . 1 1 25 25 LEU HD13 H 1 0.518 0.02 . 2 . . . A 685 LEU HD13 . 17632 1 253 . 1 1 25 25 LEU HD21 H 1 0.554 0.02 . 2 . . . A 685 LEU HD21 . 17632 1 254 . 1 1 25 25 LEU HD22 H 1 0.554 0.02 . 2 . . . A 685 LEU HD22 . 17632 1 255 . 1 1 25 25 LEU HD23 H 1 0.554 0.02 . 2 . . . A 685 LEU HD23 . 17632 1 256 . 1 1 25 25 LEU CA C 13 55.315 0.3 . 1 . . . A 685 LEU CA . 17632 1 257 . 1 1 25 25 LEU CB C 13 43.539 0.3 . 1 . . . A 685 LEU CB . 17632 1 258 . 1 1 25 25 LEU CG C 13 26.733 0.3 . 1 . . . A 685 LEU CG . 17632 1 259 . 1 1 25 25 LEU CD1 C 13 26.872 0.3 . 2 . . . A 685 LEU CD1 . 17632 1 260 . 1 1 25 25 LEU CD2 C 13 22.838 0.3 . 2 . . . A 685 LEU CD2 . 17632 1 261 . 1 1 25 25 LEU N N 15 117.082 0.2 . 1 . . . A 685 LEU N . 17632 1 262 . 1 1 26 26 ALA H H 1 7.548 0.02 . 1 . . . A 686 ALA H . 17632 1 263 . 1 1 26 26 ALA HA H 1 3.715 0.02 . 1 . . . A 686 ALA HA . 17632 1 264 . 1 1 26 26 ALA HB1 H 1 1.413 0.02 . 1 . . . A 686 ALA HB1 . 17632 1 265 . 1 1 26 26 ALA HB2 H 1 1.413 0.02 . 1 . . . A 686 ALA HB2 . 17632 1 266 . 1 1 26 26 ALA HB3 H 1 1.413 0.02 . 1 . . . A 686 ALA HB3 . 17632 1 267 . 1 1 26 26 ALA CA C 13 56.480 0.3 . 1 . . . A 686 ALA CA . 17632 1 268 . 1 1 26 26 ALA CB C 13 18.855 0.3 . 1 . . . A 686 ALA CB . 17632 1 269 . 1 1 26 26 ALA N N 15 121.297 0.2 . 1 . . . A 686 ALA N . 17632 1 270 . 1 1 27 27 ASN H H 1 8.471 0.02 . 1 . . . A 687 ASN H . 17632 1 271 . 1 1 27 27 ASN HA H 1 4.967 0.02 . 1 . . . A 687 ASN HA . 17632 1 272 . 1 1 27 27 ASN HB2 H 1 2.882 0.02 . 2 . . . A 687 ASN HB2 . 17632 1 273 . 1 1 27 27 ASN HB3 H 1 2.631 0.02 . 2 . . . A 687 ASN HB3 . 17632 1 274 . 1 1 27 27 ASN CA C 13 52.094 0.3 . 1 . . . A 687 ASN CA . 17632 1 275 . 1 1 27 27 ASN CB C 13 38.428 0.3 . 1 . . . A 687 ASN CB . 17632 1 276 . 1 1 27 27 ASN N N 15 112.883 0.2 . 1 . . . A 687 ASN N . 17632 1 277 . 1 1 28 28 ARG H H 1 7.272 0.02 . 1 . . . A 688 ARG H . 17632 1 278 . 1 1 28 28 ARG HA H 1 4.601 0.02 . 1 . . . A 688 ARG HA . 17632 1 279 . 1 1 28 28 ARG HB2 H 1 2.235 0.02 . 2 . . . A 688 ARG HB2 . 17632 1 280 . 1 1 28 28 ARG HB3 H 1 1.832 0.02 . 2 . . . A 688 ARG HB3 . 17632 1 281 . 1 1 28 28 ARG HG2 H 1 1.721 0.02 . 2 . . . A 688 ARG HG2 . 17632 1 282 . 1 1 28 28 ARG HG3 H 1 1.665 0.02 . 2 . . . A 688 ARG HG3 . 17632 1 283 . 1 1 28 28 ARG HD2 H 1 3.490 0.02 . 2 . . . A 688 ARG HD2 . 17632 1 284 . 1 1 28 28 ARG HD3 H 1 3.099 0.02 . 2 . . . A 688 ARG HD3 . 17632 1 285 . 1 1 28 28 ARG CA C 13 51.997 0.3 . 1 . . . A 688 ARG CA . 17632 1 286 . 1 1 28 28 ARG CB C 13 29.093 0.3 . 1 . . . A 688 ARG CB . 17632 1 287 . 1 1 28 28 ARG CG C 13 27.278 0.3 . 1 . . . A 688 ARG CG . 17632 1 288 . 1 1 28 28 ARG CD C 13 39.716 0.3 . 1 . . . A 688 ARG CD . 17632 1 289 . 1 1 28 28 ARG N N 15 117.617 0.2 . 1 . . . A 688 ARG N . 17632 1 290 . 1 1 29 29 SER H H 1 8.430 0.02 . 1 . . . A 689 SER H . 17632 1 291 . 1 1 29 29 SER HA H 1 4.343 0.02 . 1 . . . A 689 SER HA . 17632 1 292 . 1 1 29 29 SER HB2 H 1 3.849 0.02 . 2 . . . A 689 SER HB2 . 17632 1 293 . 1 1 29 29 SER HB3 H 1 3.669 0.02 . 2 . . . A 689 SER HB3 . 17632 1 294 . 1 1 29 29 SER CA C 13 58.470 0.3 . 1 . . . A 689 SER CA . 17632 1 295 . 1 1 29 29 SER CB C 13 64.317 0.3 . 1 . . . A 689 SER CB . 17632 1 296 . 1 1 29 29 SER N N 15 114.508 0.2 . 1 . . . A 689 SER N . 17632 1 297 . 1 1 30 30 ASP H H 1 8.935 0.02 . 1 . . . A 690 ASP H . 17632 1 298 . 1 1 30 30 ASP HA H 1 4.425 0.02 . 1 . . . A 690 ASP HA . 17632 1 299 . 1 1 30 30 ASP HB2 H 1 2.706 0.02 . 1 . . . A 690 ASP HB2 . 17632 1 300 . 1 1 30 30 ASP HB3 H 1 2.706 0.02 . 1 . . . A 690 ASP HB3 . 17632 1 301 . 1 1 30 30 ASP CA C 13 56.238 0.3 . 1 . . . A 690 ASP CA . 17632 1 302 . 1 1 30 30 ASP CB C 13 40.777 0.3 . 1 . . . A 690 ASP CB . 17632 1 303 . 1 1 30 30 ASP N N 15 125.500 0.2 . 1 . . . A 690 ASP N . 17632 1 304 . 1 1 31 31 GLY H H 1 9.575 0.02 . 1 . . . A 691 GLY H . 17632 1 305 . 1 1 31 31 GLY HA2 H 1 4.654 0.02 . 2 . . . A 691 GLY HA2 . 17632 1 306 . 1 1 31 31 GLY HA3 H 1 3.605 0.02 . 2 . . . A 691 GLY HA3 . 17632 1 307 . 1 1 31 31 GLY CA C 13 45.195 0.3 . 1 . . . A 691 GLY CA . 17632 1 308 . 1 1 31 31 GLY N N 15 108.329 0.2 . 1 . . . A 691 GLY N . 17632 1 309 . 1 1 32 32 THR H H 1 8.232 0.02 . 1 . . . A 692 THR H . 17632 1 310 . 1 1 32 32 THR HA H 1 5.814 0.02 . 1 . . . A 692 THR HA . 17632 1 311 . 1 1 32 32 THR HB H 1 4.021 0.02 . 1 . . . A 692 THR HB . 17632 1 312 . 1 1 32 32 THR HG21 H 1 1.217 0.02 . 1 . . . A 692 THR HG21 . 17632 1 313 . 1 1 32 32 THR HG22 H 1 1.217 0.02 . 1 . . . A 692 THR HG22 . 17632 1 314 . 1 1 32 32 THR HG23 H 1 1.217 0.02 . 1 . . . A 692 THR HG23 . 17632 1 315 . 1 1 32 32 THR CA C 13 63.401 0.3 . 1 . . . A 692 THR CA . 17632 1 316 . 1 1 32 32 THR CB C 13 67.855 0.3 . 1 . . . A 692 THR CB . 17632 1 317 . 1 1 32 32 THR CG2 C 13 20.964 0.3 . 1 . . . A 692 THR CG2 . 17632 1 318 . 1 1 32 32 THR N N 15 120.721 0.2 . 1 . . . A 692 THR N . 17632 1 319 . 1 1 33 33 PHE H H 1 8.962 0.02 . 1 . . . A 693 PHE H . 17632 1 320 . 1 1 33 33 PHE HA H 1 6.022 0.02 . 1 . . . A 693 PHE HA . 17632 1 321 . 1 1 33 33 PHE HB2 H 1 2.936 0.02 . 2 . . . A 693 PHE HB2 . 17632 1 322 . 1 1 33 33 PHE HB3 H 1 2.685 0.02 . 2 . . . A 693 PHE HB3 . 17632 1 323 . 1 1 33 33 PHE HD1 H 1 7.339 0.02 . 3 . . . A 693 PHE HD1 . 17632 1 324 . 1 1 33 33 PHE HD2 H 1 7.339 0.02 . 3 . . . A 693 PHE HD2 . 17632 1 325 . 1 1 33 33 PHE CA C 13 55.150 0.3 . 1 . . . A 693 PHE CA . 17632 1 326 . 1 1 33 33 PHE CB C 13 44.984 0.3 . 1 . . . A 693 PHE CB . 17632 1 327 . 1 1 33 33 PHE CD1 C 13 131.907 0.3 . 3 . . . A 693 PHE CD1 . 17632 1 328 . 1 1 33 33 PHE CD2 C 13 131.907 0.3 . 3 . . . A 693 PHE CD2 . 17632 1 329 . 1 1 33 33 PHE N N 15 124.068 0.2 . 1 . . . A 693 PHE N . 17632 1 330 . 1 1 34 34 LEU H H 1 9.060 0.02 . 1 . . . A 694 LEU H . 17632 1 331 . 1 1 34 34 LEU HA H 1 5.059 0.02 . 1 . . . A 694 LEU HA . 17632 1 332 . 1 1 34 34 LEU HB2 H 1 1.275 0.02 . 2 . . . A 694 LEU HB2 . 17632 1 333 . 1 1 34 34 LEU HB3 H 1 1.071 0.02 . 2 . . . A 694 LEU HB3 . 17632 1 334 . 1 1 34 34 LEU HG H 1 1.560 0.02 . 1 . . . A 694 LEU HG . 17632 1 335 . 1 1 34 34 LEU HD11 H 1 0.104 0.02 . 2 . . . A 694 LEU HD11 . 17632 1 336 . 1 1 34 34 LEU HD12 H 1 0.104 0.02 . 2 . . . A 694 LEU HD12 . 17632 1 337 . 1 1 34 34 LEU HD13 H 1 0.104 0.02 . 2 . . . A 694 LEU HD13 . 17632 1 338 . 1 1 34 34 LEU HD21 H 1 0.536 0.02 . 2 . . . A 694 LEU HD21 . 17632 1 339 . 1 1 34 34 LEU HD22 H 1 0.536 0.02 . 2 . . . A 694 LEU HD22 . 17632 1 340 . 1 1 34 34 LEU HD23 H 1 0.536 0.02 . 2 . . . A 694 LEU HD23 . 17632 1 341 . 1 1 34 34 LEU CA C 13 53.171 0.3 . 1 . . . A 694 LEU CA . 17632 1 342 . 1 1 34 34 LEU CB C 13 47.175 0.3 . 1 . . . A 694 LEU CB . 17632 1 343 . 1 1 34 34 LEU CG C 13 24.945 0.3 . 1 . . . A 694 LEU CG . 17632 1 344 . 1 1 34 34 LEU CD1 C 13 27.417 0.3 . 2 . . . A 694 LEU CD1 . 17632 1 345 . 1 1 34 34 LEU CD2 C 13 24.525 0.3 . 2 . . . A 694 LEU CD2 . 17632 1 346 . 1 1 34 34 LEU N N 15 115.979 0.2 . 1 . . . A 694 LEU N . 17632 1 347 . 1 1 35 35 VAL H H 1 9.188 0.02 . 1 . . . A 695 VAL H . 17632 1 348 . 1 1 35 35 VAL HA H 1 5.292 0.02 . 1 . . . A 695 VAL HA . 17632 1 349 . 1 1 35 35 VAL HB H 1 2.511 0.02 . 1 . . . A 695 VAL HB . 17632 1 350 . 1 1 35 35 VAL HG11 H 1 1.124 0.02 . 2 . . . A 695 VAL HG11 . 17632 1 351 . 1 1 35 35 VAL HG12 H 1 1.124 0.02 . 2 . . . A 695 VAL HG12 . 17632 1 352 . 1 1 35 35 VAL HG13 H 1 1.124 0.02 . 2 . . . A 695 VAL HG13 . 17632 1 353 . 1 1 35 35 VAL HG21 H 1 0.906 0.02 . 2 . . . A 695 VAL HG21 . 17632 1 354 . 1 1 35 35 VAL HG22 H 1 0.906 0.02 . 2 . . . A 695 VAL HG22 . 17632 1 355 . 1 1 35 35 VAL HG23 H 1 0.906 0.02 . 2 . . . A 695 VAL HG23 . 17632 1 356 . 1 1 35 35 VAL CA C 13 61.006 0.3 . 1 . . . A 695 VAL CA . 17632 1 357 . 1 1 35 35 VAL CB C 13 34.111 0.3 . 1 . . . A 695 VAL CB . 17632 1 358 . 1 1 35 35 VAL CG1 C 13 21.866 0.3 . 2 . . . A 695 VAL CG1 . 17632 1 359 . 1 1 35 35 VAL CG2 C 13 22.125 0.3 . 2 . . . A 695 VAL CG2 . 17632 1 360 . 1 1 35 35 VAL N N 15 120.931 0.2 . 1 . . . A 695 VAL N . 17632 1 361 . 1 1 36 36 ARG H H 1 9.601 0.02 . 1 . . . A 696 ARG H . 17632 1 362 . 1 1 36 36 ARG HA H 1 5.319 0.02 . 1 . . . A 696 ARG HA . 17632 1 363 . 1 1 36 36 ARG HB2 H 1 2.109 0.02 . 2 . . . A 696 ARG HB2 . 17632 1 364 . 1 1 36 36 ARG HB3 H 1 1.227 0.02 . 2 . . . A 696 ARG HB3 . 17632 1 365 . 1 1 36 36 ARG HG2 H 1 1.613 0.02 . 1 . . . A 696 ARG HG2 . 17632 1 366 . 1 1 36 36 ARG HG3 H 1 1.613 0.02 . 1 . . . A 696 ARG HG3 . 17632 1 367 . 1 1 36 36 ARG HD2 H 1 3.308 0.02 . 2 . . . A 696 ARG HD2 . 17632 1 368 . 1 1 36 36 ARG HD3 H 1 2.295 0.02 . 2 . . . A 696 ARG HD3 . 17632 1 369 . 1 1 36 36 ARG CA C 13 51.627 0.3 . 1 . . . A 696 ARG CA . 17632 1 370 . 1 1 36 36 ARG CB C 13 33.874 0.3 . 1 . . . A 696 ARG CB . 17632 1 371 . 1 1 36 36 ARG CG C 13 26.151 0.3 . 1 . . . A 696 ARG CG . 17632 1 372 . 1 1 36 36 ARG CD C 13 43.410 0.3 . 1 . . . A 696 ARG CD . 17632 1 373 . 1 1 36 36 ARG N N 15 122.596 0.2 . 1 . . . A 696 ARG N . 17632 1 374 . 1 1 37 37 GLN H H 1 7.935 0.02 . 1 . . . A 697 GLN H . 17632 1 375 . 1 1 37 37 GLN HA H 1 4.412 0.02 . 1 . . . A 697 GLN HA . 17632 1 376 . 1 1 37 37 GLN HB2 H 1 1.499 0.02 . 1 . . . A 697 GLN HB2 . 17632 1 377 . 1 1 37 37 GLN HB3 H 1 1.499 0.02 . 1 . . . A 697 GLN HB3 . 17632 1 378 . 1 1 37 37 GLN HG2 H 1 2.207 0.02 . 1 . . . A 697 GLN HG2 . 17632 1 379 . 1 1 37 37 GLN HG3 H 1 2.207 0.02 . 1 . . . A 697 GLN HG3 . 17632 1 380 . 1 1 37 37 GLN CA C 13 54.988 0.3 . 1 . . . A 697 GLN CA . 17632 1 381 . 1 1 37 37 GLN CB C 13 30.197 0.3 . 1 . . . A 697 GLN CB . 17632 1 382 . 1 1 37 37 GLN CG C 13 33.498 0.3 . 1 . . . A 697 GLN CG . 17632 1 383 . 1 1 37 37 GLN N N 15 124.884 0.2 . 1 . . . A 697 GLN N . 17632 1 384 . 1 1 38 38 ARG H H 1 8.287 0.02 . 1 . . . A 698 ARG H . 17632 1 385 . 1 1 38 38 ARG N N 15 126.219 0.2 . 1 . . . A 698 ARG N . 17632 1 386 . 1 1 45 45 PHE HA H 1 5.511 0.02 . 1 . . . A 705 PHE HA . 17632 1 387 . 1 1 45 45 PHE HB2 H 1 3.074 0.02 . 2 . . . A 705 PHE HB2 . 17632 1 388 . 1 1 45 45 PHE HB3 H 1 2.663 0.02 . 2 . . . A 705 PHE HB3 . 17632 1 389 . 1 1 45 45 PHE HD1 H 1 6.688 0.02 . 3 . . . A 705 PHE HD1 . 17632 1 390 . 1 1 45 45 PHE HD2 H 1 6.688 0.02 . 3 . . . A 705 PHE HD2 . 17632 1 391 . 1 1 45 45 PHE CA C 13 55.986 0.3 . 1 . . . A 705 PHE CA . 17632 1 392 . 1 1 45 45 PHE CB C 13 44.925 0.3 . 1 . . . A 705 PHE CB . 17632 1 393 . 1 1 45 45 PHE CD1 C 13 131.521 0.3 . 3 . . . A 705 PHE CD1 . 17632 1 394 . 1 1 45 45 PHE CD2 C 13 131.521 0.3 . 3 . . . A 705 PHE CD2 . 17632 1 395 . 1 1 46 46 ALA H H 1 9.507 0.02 . 1 . . . A 706 ALA H . 17632 1 396 . 1 1 46 46 ALA HA H 1 5.342 0.02 . 1 . . . A 706 ALA HA . 17632 1 397 . 1 1 46 46 ALA HB1 H 1 1.312 0.02 . 1 . . . A 706 ALA HB1 . 17632 1 398 . 1 1 46 46 ALA HB2 H 1 1.312 0.02 . 1 . . . A 706 ALA HB2 . 17632 1 399 . 1 1 46 46 ALA HB3 H 1 1.312 0.02 . 1 . . . A 706 ALA HB3 . 17632 1 400 . 1 1 46 46 ALA CA C 13 51.228 0.3 . 1 . . . A 706 ALA CA . 17632 1 401 . 1 1 46 46 ALA CB C 13 22.135 0.3 . 1 . . . A 706 ALA CB . 17632 1 402 . 1 1 46 46 ALA N N 15 120.420 0.2 . 1 . . . A 706 ALA N . 17632 1 403 . 1 1 47 47 ILE H H 1 9.573 0.02 . 1 . . . A 707 ILE H . 17632 1 404 . 1 1 47 47 ILE HA H 1 5.031 0.02 . 1 . . . A 707 ILE HA . 17632 1 405 . 1 1 47 47 ILE HB H 1 1.564 0.02 . 1 . . . A 707 ILE HB . 17632 1 406 . 1 1 47 47 ILE HG12 H 1 1.692 0.02 . 2 . . . A 707 ILE HG12 . 17632 1 407 . 1 1 47 47 ILE HG13 H 1 0.809 0.02 . 2 . . . A 707 ILE HG13 . 17632 1 408 . 1 1 47 47 ILE HG21 H 1 0.728 0.02 . 1 . . . A 707 ILE HG21 . 17632 1 409 . 1 1 47 47 ILE HG22 H 1 0.728 0.02 . 1 . . . A 707 ILE HG22 . 17632 1 410 . 1 1 47 47 ILE HG23 H 1 0.728 0.02 . 1 . . . A 707 ILE HG23 . 17632 1 411 . 1 1 47 47 ILE HD11 H 1 0.508 0.02 . 1 . . . A 707 ILE HD11 . 17632 1 412 . 1 1 47 47 ILE HD12 H 1 0.508 0.02 . 1 . . . A 707 ILE HD12 . 17632 1 413 . 1 1 47 47 ILE HD13 H 1 0.508 0.02 . 1 . . . A 707 ILE HD13 . 17632 1 414 . 1 1 47 47 ILE CA C 13 60.185 0.3 . 1 . . . A 707 ILE CA . 17632 1 415 . 1 1 47 47 ILE CB C 13 41.018 0.3 . 1 . . . A 707 ILE CB . 17632 1 416 . 1 1 47 47 ILE CG1 C 13 28.720 0.3 . 1 . . . A 707 ILE CG1 . 17632 1 417 . 1 1 47 47 ILE CG2 C 13 17.619 0.3 . 1 . . . A 707 ILE CG2 . 17632 1 418 . 1 1 47 47 ILE CD1 C 13 13.598 0.3 . 1 . . . A 707 ILE CD1 . 17632 1 419 . 1 1 47 47 ILE N N 15 120.742 0.2 . 1 . . . A 707 ILE N . 17632 1 420 . 1 1 48 48 SER H H 1 8.933 0.02 . 1 . . . A 708 SER H . 17632 1 421 . 1 1 48 48 SER HA H 1 5.582 0.02 . 1 . . . A 708 SER HA . 17632 1 422 . 1 1 48 48 SER HB2 H 1 3.360 0.02 . 2 . . . A 708 SER HB2 . 17632 1 423 . 1 1 48 48 SER HB3 H 1 3.197 0.02 . 2 . . . A 708 SER HB3 . 17632 1 424 . 1 1 48 48 SER CA C 13 58.062 0.3 . 1 . . . A 708 SER CA . 17632 1 425 . 1 1 48 48 SER CB C 13 65.224 0.3 . 1 . . . A 708 SER CB . 17632 1 426 . 1 1 48 48 SER N N 15 123.510 0.2 . 1 . . . A 708 SER N . 17632 1 427 . 1 1 49 49 ILE H H 1 8.970 0.02 . 1 . . . A 709 ILE H . 17632 1 428 . 1 1 49 49 ILE HA H 1 5.184 0.02 . 1 . . . A 709 ILE HA . 17632 1 429 . 1 1 49 49 ILE HB H 1 1.277 0.02 . 1 . . . A 709 ILE HB . 17632 1 430 . 1 1 49 49 ILE HG12 H 1 1.491 0.02 . 2 . . . A 709 ILE HG12 . 17632 1 431 . 1 1 49 49 ILE HG13 H 1 0.766 0.02 . 2 . . . A 709 ILE HG13 . 17632 1 432 . 1 1 49 49 ILE HG21 H 1 0.596 0.02 . 1 . . . A 709 ILE HG21 . 17632 1 433 . 1 1 49 49 ILE HG22 H 1 0.596 0.02 . 1 . . . A 709 ILE HG22 . 17632 1 434 . 1 1 49 49 ILE HG23 H 1 0.596 0.02 . 1 . . . A 709 ILE HG23 . 17632 1 435 . 1 1 49 49 ILE HD11 H 1 0.509 0.02 . 1 . . . A 709 ILE HD11 . 17632 1 436 . 1 1 49 49 ILE HD12 H 1 0.509 0.02 . 1 . . . A 709 ILE HD12 . 17632 1 437 . 1 1 49 49 ILE HD13 H 1 0.509 0.02 . 1 . . . A 709 ILE HD13 . 17632 1 438 . 1 1 49 49 ILE CA C 13 57.952 0.3 . 1 . . . A 709 ILE CA . 17632 1 439 . 1 1 49 49 ILE CB C 13 42.880 0.3 . 1 . . . A 709 ILE CB . 17632 1 440 . 1 1 49 49 ILE CG1 C 13 28.365 0.3 . 1 . . . A 709 ILE CG1 . 17632 1 441 . 1 1 49 49 ILE CG2 C 13 16.110 0.3 . 1 . . . A 709 ILE CG2 . 17632 1 442 . 1 1 49 49 ILE CD1 C 13 14.469 0.3 . 1 . . . A 709 ILE CD1 . 17632 1 443 . 1 1 49 49 ILE N N 15 122.441 0.2 . 1 . . . A 709 ILE N . 17632 1 444 . 1 1 50 50 LYS H H 1 8.521 0.02 . 1 . . . A 710 LYS H . 17632 1 445 . 1 1 50 50 LYS HA H 1 4.656 0.02 . 1 . . . A 710 LYS HA . 17632 1 446 . 1 1 50 50 LYS HB2 H 1 2.210 0.02 . 2 . . . A 710 LYS HB2 . 17632 1 447 . 1 1 50 50 LYS HB3 H 1 1.466 0.02 . 2 . . . A 710 LYS HB3 . 17632 1 448 . 1 1 50 50 LYS HG2 H 1 1.599 0.02 . 2 . . . A 710 LYS HG2 . 17632 1 449 . 1 1 50 50 LYS HG3 H 1 1.070 0.02 . 2 . . . A 710 LYS HG3 . 17632 1 450 . 1 1 50 50 LYS HD2 H 1 1.544 0.02 . 2 . . . A 710 LYS HD2 . 17632 1 451 . 1 1 50 50 LYS HD3 H 1 1.429 0.02 . 2 . . . A 710 LYS HD3 . 17632 1 452 . 1 1 50 50 LYS HE2 H 1 2.937 0.02 . 2 . . . A 710 LYS HE2 . 17632 1 453 . 1 1 50 50 LYS HE3 H 1 2.832 0.02 . 2 . . . A 710 LYS HE3 . 17632 1 454 . 1 1 50 50 LYS CA C 13 54.431 0.3 . 1 . . . A 710 LYS CA . 17632 1 455 . 1 1 50 50 LYS CB C 13 33.077 0.3 . 1 . . . A 710 LYS CB . 17632 1 456 . 1 1 50 50 LYS CG C 13 23.845 0.3 . 1 . . . A 710 LYS CG . 17632 1 457 . 1 1 50 50 LYS CD C 13 27.667 0.3 . 1 . . . A 710 LYS CD . 17632 1 458 . 1 1 50 50 LYS CE C 13 42.853 0.3 . 1 . . . A 710 LYS CE . 17632 1 459 . 1 1 50 50 LYS N N 15 129.115 0.2 . 1 . . . A 710 LYS N . 17632 1 460 . 1 1 51 51 TYR H H 1 9.124 0.02 . 1 . . . A 711 TYR H . 17632 1 461 . 1 1 51 51 TYR HA H 1 4.401 0.02 . 1 . . . A 711 TYR HA . 17632 1 462 . 1 1 51 51 TYR HB2 H 1 2.759 0.02 . 2 . . . A 711 TYR HB2 . 17632 1 463 . 1 1 51 51 TYR HB3 H 1 2.372 0.02 . 2 . . . A 711 TYR HB3 . 17632 1 464 . 1 1 51 51 TYR HD1 H 1 6.904 0.02 . 3 . . . A 711 TYR HD1 . 17632 1 465 . 1 1 51 51 TYR HD2 H 1 6.904 0.02 . 3 . . . A 711 TYR HD2 . 17632 1 466 . 1 1 51 51 TYR HE1 H 1 6.843 0.02 . 3 . . . A 711 TYR HE1 . 17632 1 467 . 1 1 51 51 TYR HE2 H 1 6.843 0.02 . 3 . . . A 711 TYR HE2 . 17632 1 468 . 1 1 51 51 TYR CA C 13 59.580 0.3 . 1 . . . A 711 TYR CA . 17632 1 469 . 1 1 51 51 TYR CB C 13 40.956 0.3 . 1 . . . A 711 TYR CB . 17632 1 470 . 1 1 51 51 TYR CD1 C 13 132.637 0.3 . 3 . . . A 711 TYR CD1 . 17632 1 471 . 1 1 51 51 TYR CD2 C 13 132.637 0.3 . 3 . . . A 711 TYR CD2 . 17632 1 472 . 1 1 51 51 TYR CE1 C 13 118.828 0.3 . 3 . . . A 711 TYR CE1 . 17632 1 473 . 1 1 51 51 TYR CE2 C 13 118.828 0.3 . 3 . . . A 711 TYR CE2 . 17632 1 474 . 1 1 51 51 TYR N N 15 129.422 0.2 . 1 . . . A 711 TYR N . 17632 1 475 . 1 1 52 52 ASN H H 1 8.845 0.02 . 1 . . . A 712 ASN H . 17632 1 476 . 1 1 52 52 ASN HA H 1 4.029 0.02 . 1 . . . A 712 ASN HA . 17632 1 477 . 1 1 52 52 ASN HB2 H 1 2.998 0.02 . 2 . . . A 712 ASN HB2 . 17632 1 478 . 1 1 52 52 ASN HB3 H 1 2.102 0.02 . 2 . . . A 712 ASN HB3 . 17632 1 479 . 1 1 52 52 ASN CA C 13 54.218 0.3 . 1 . . . A 712 ASN CA . 17632 1 480 . 1 1 52 52 ASN CB C 13 36.670 0.3 . 1 . . . A 712 ASN CB . 17632 1 481 . 1 1 52 52 ASN N N 15 127.756 0.2 . 1 . . . A 712 ASN N . 17632 1 482 . 1 1 53 53 VAL H H 1 8.620 0.02 . 1 . . . A 713 VAL H . 17632 1 483 . 1 1 53 53 VAL HA H 1 3.610 0.02 . 1 . . . A 713 VAL HA . 17632 1 484 . 1 1 53 53 VAL HB H 1 2.475 0.02 . 1 . . . A 713 VAL HB . 17632 1 485 . 1 1 53 53 VAL HG11 H 1 0.951 0.02 . 2 . . . A 713 VAL HG11 . 17632 1 486 . 1 1 53 53 VAL HG12 H 1 0.951 0.02 . 2 . . . A 713 VAL HG12 . 17632 1 487 . 1 1 53 53 VAL HG13 H 1 0.951 0.02 . 2 . . . A 713 VAL HG13 . 17632 1 488 . 1 1 53 53 VAL HG21 H 1 0.804 0.02 . 2 . . . A 713 VAL HG21 . 17632 1 489 . 1 1 53 53 VAL HG22 H 1 0.804 0.02 . 2 . . . A 713 VAL HG22 . 17632 1 490 . 1 1 53 53 VAL HG23 H 1 0.804 0.02 . 2 . . . A 713 VAL HG23 . 17632 1 491 . 1 1 53 53 VAL CA C 13 64.022 0.3 . 1 . . . A 713 VAL CA . 17632 1 492 . 1 1 53 53 VAL CB C 13 31.420 0.3 . 1 . . . A 713 VAL CB . 17632 1 493 . 1 1 53 53 VAL CG1 C 13 22.850 0.3 . 2 . . . A 713 VAL CG1 . 17632 1 494 . 1 1 53 53 VAL CG2 C 13 21.238 0.3 . 2 . . . A 713 VAL CG2 . 17632 1 495 . 1 1 53 53 VAL N N 15 113.908 0.2 . 1 . . . A 713 VAL N . 17632 1 496 . 1 1 54 54 GLU H H 1 7.625 0.02 . 1 . . . A 714 GLU H . 17632 1 497 . 1 1 54 54 GLU HA H 1 4.531 0.02 . 1 . . . A 714 GLU HA . 17632 1 498 . 1 1 54 54 GLU HB2 H 1 1.935 0.02 . 2 . . . A 714 GLU HB2 . 17632 1 499 . 1 1 54 54 GLU HB3 H 1 1.848 0.02 . 2 . . . A 714 GLU HB3 . 17632 1 500 . 1 1 54 54 GLU HG2 H 1 2.195 0.02 . 1 . . . A 714 GLU HG2 . 17632 1 501 . 1 1 54 54 GLU HG3 H 1 2.195 0.02 . 1 . . . A 714 GLU HG3 . 17632 1 502 . 1 1 54 54 GLU CA C 13 54.837 0.3 . 1 . . . A 714 GLU CA . 17632 1 503 . 1 1 54 54 GLU CB C 13 33.634 0.3 . 1 . . . A 714 GLU CB . 17632 1 504 . 1 1 54 54 GLU CG C 13 36.371 0.3 . 1 . . . A 714 GLU CG . 17632 1 505 . 1 1 54 54 GLU N N 15 119.561 0.2 . 1 . . . A 714 GLU N . 17632 1 506 . 1 1 55 55 VAL H H 1 8.315 0.02 . 1 . . . A 715 VAL H . 17632 1 507 . 1 1 55 55 VAL HA H 1 4.352 0.02 . 1 . . . A 715 VAL HA . 17632 1 508 . 1 1 55 55 VAL HB H 1 1.800 0.02 . 1 . . . A 715 VAL HB . 17632 1 509 . 1 1 55 55 VAL HG11 H 1 0.753 0.02 . 2 . . . A 715 VAL HG11 . 17632 1 510 . 1 1 55 55 VAL HG12 H 1 0.753 0.02 . 2 . . . A 715 VAL HG12 . 17632 1 511 . 1 1 55 55 VAL HG13 H 1 0.753 0.02 . 2 . . . A 715 VAL HG13 . 17632 1 512 . 1 1 55 55 VAL HG21 H 1 0.307 0.02 . 2 . . . A 715 VAL HG21 . 17632 1 513 . 1 1 55 55 VAL HG22 H 1 0.307 0.02 . 2 . . . A 715 VAL HG22 . 17632 1 514 . 1 1 55 55 VAL HG23 H 1 0.307 0.02 . 2 . . . A 715 VAL HG23 . 17632 1 515 . 1 1 55 55 VAL CA C 13 61.749 0.3 . 1 . . . A 715 VAL CA . 17632 1 516 . 1 1 55 55 VAL CB C 13 31.923 0.3 . 1 . . . A 715 VAL CB . 17632 1 517 . 1 1 55 55 VAL CG1 C 13 22.211 0.3 . 2 . . . A 715 VAL CG1 . 17632 1 518 . 1 1 55 55 VAL CG2 C 13 22.673 0.3 . 2 . . . A 715 VAL CG2 . 17632 1 519 . 1 1 55 55 VAL N N 15 119.998 0.2 . 1 . . . A 715 VAL N . 17632 1 520 . 1 1 56 56 LYS H H 1 8.745 0.02 . 1 . . . A 716 LYS H . 17632 1 521 . 1 1 56 56 LYS HA H 1 4.401 0.02 . 1 . . . A 716 LYS HA . 17632 1 522 . 1 1 56 56 LYS HB2 H 1 1.426 0.02 . 2 . . . A 716 LYS HB2 . 17632 1 523 . 1 1 56 56 LYS HB3 H 1 1.355 0.02 . 2 . . . A 716 LYS HB3 . 17632 1 524 . 1 1 56 56 LYS HG2 H 1 1.351 0.02 . 2 . . . A 716 LYS HG2 . 17632 1 525 . 1 1 56 56 LYS HG3 H 1 1.204 0.02 . 2 . . . A 716 LYS HG3 . 17632 1 526 . 1 1 56 56 LYS HD2 H 1 1.433 0.02 . 1 . . . A 716 LYS HD2 . 17632 1 527 . 1 1 56 56 LYS HD3 H 1 1.433 0.02 . 1 . . . A 716 LYS HD3 . 17632 1 528 . 1 1 56 56 LYS HE2 H 1 2.938 0.02 . 2 . . . A 716 LYS HE2 . 17632 1 529 . 1 1 56 56 LYS HE3 H 1 2.876 0.02 . 2 . . . A 716 LYS HE3 . 17632 1 530 . 1 1 56 56 LYS CA C 13 53.237 0.3 . 1 . . . A 716 LYS CA . 17632 1 531 . 1 1 56 56 LYS CB C 13 34.763 0.3 . 1 . . . A 716 LYS CB . 17632 1 532 . 1 1 56 56 LYS CG C 13 24.912 0.3 . 1 . . . A 716 LYS CG . 17632 1 533 . 1 1 56 56 LYS CD C 13 28.742 0.3 . 1 . . . A 716 LYS CD . 17632 1 534 . 1 1 56 56 LYS CE C 13 42.125 0.3 . 1 . . . A 716 LYS CE . 17632 1 535 . 1 1 56 56 LYS N N 15 125.840 0.2 . 1 . . . A 716 LYS N . 17632 1 536 . 1 1 57 57 HIS H H 1 8.782 0.02 . 1 . . . A 717 HIS H . 17632 1 537 . 1 1 57 57 HIS HA H 1 5.694 0.02 . 1 . . . A 717 HIS HA . 17632 1 538 . 1 1 57 57 HIS HB2 H 1 2.573 0.02 . 1 . . . A 717 HIS HB2 . 17632 1 539 . 1 1 57 57 HIS HB3 H 1 2.573 0.02 . 1 . . . A 717 HIS HB3 . 17632 1 540 . 1 1 57 57 HIS HD2 H 1 6.851 0.02 . 1 . . . A 717 HIS HD2 . 17632 1 541 . 1 1 57 57 HIS HE1 H 1 7.107 0.02 . 1 . . . A 717 HIS HE1 . 17632 1 542 . 1 1 57 57 HIS CA C 13 54.593 0.3 . 1 . . . A 717 HIS CA . 17632 1 543 . 1 1 57 57 HIS CB C 13 34.677 0.3 . 1 . . . A 717 HIS CB . 17632 1 544 . 1 1 57 57 HIS CD2 C 13 120.633 0.3 . 1 . . . A 717 HIS CD2 . 17632 1 545 . 1 1 57 57 HIS CE1 C 13 137.328 0.3 . 1 . . . A 717 HIS CE1 . 17632 1 546 . 1 1 57 57 HIS N N 15 118.548 0.2 . 1 . . . A 717 HIS N . 17632 1 547 . 1 1 58 58 ILE H H 1 9.750 0.02 . 1 . . . A 718 ILE H . 17632 1 548 . 1 1 58 58 ILE HA H 1 4.492 0.02 . 1 . . . A 718 ILE HA . 17632 1 549 . 1 1 58 58 ILE HB H 1 1.455 0.02 . 1 . . . A 718 ILE HB . 17632 1 550 . 1 1 58 58 ILE HG12 H 1 0.907 0.02 . 2 . . . A 718 ILE HG12 . 17632 1 551 . 1 1 58 58 ILE HG13 H 1 0.165 0.02 . 2 . . . A 718 ILE HG13 . 17632 1 552 . 1 1 58 58 ILE HG21 H 1 0.774 0.02 . 1 . . . A 718 ILE HG21 . 17632 1 553 . 1 1 58 58 ILE HG22 H 1 0.774 0.02 . 1 . . . A 718 ILE HG22 . 17632 1 554 . 1 1 58 58 ILE HG23 H 1 0.774 0.02 . 1 . . . A 718 ILE HG23 . 17632 1 555 . 1 1 58 58 ILE HD11 H 1 0.116 0.02 . 1 . . . A 718 ILE HD11 . 17632 1 556 . 1 1 58 58 ILE HD12 H 1 0.116 0.02 . 1 . . . A 718 ILE HD12 . 17632 1 557 . 1 1 58 58 ILE HD13 H 1 0.116 0.02 . 1 . . . A 718 ILE HD13 . 17632 1 558 . 1 1 58 58 ILE CA C 13 59.585 0.3 . 1 . . . A 718 ILE CA . 17632 1 559 . 1 1 58 58 ILE CB C 13 42.951 0.3 . 1 . . . A 718 ILE CB . 17632 1 560 . 1 1 58 58 ILE CG1 C 13 26.837 0.3 . 1 . . . A 718 ILE CG1 . 17632 1 561 . 1 1 58 58 ILE CG2 C 13 18.547 0.3 . 1 . . . A 718 ILE CG2 . 17632 1 562 . 1 1 58 58 ILE CD1 C 13 14.433 0.3 . 1 . . . A 718 ILE CD1 . 17632 1 563 . 1 1 58 58 ILE N N 15 125.180 0.2 . 1 . . . A 718 ILE N . 17632 1 564 . 1 1 59 59 LYS H H 1 9.075 0.02 . 1 . . . A 719 LYS H . 17632 1 565 . 1 1 59 59 LYS N N 15 129.188 0.2 . 1 . . . A 719 LYS N . 17632 1 566 . 1 1 60 60 ILE H H 1 8.128 0.02 . 1 . . . A 720 ILE H . 17632 1 567 . 1 1 60 60 ILE HA H 1 4.458 0.02 . 1 . . . A 720 ILE HA . 17632 1 568 . 1 1 60 60 ILE HB H 1 1.794 0.02 . 1 . . . A 720 ILE HB . 17632 1 569 . 1 1 60 60 ILE HG12 H 1 1.498 0.02 . 2 . . . A 720 ILE HG12 . 17632 1 570 . 1 1 60 60 ILE HG13 H 1 0.742 0.02 . 2 . . . A 720 ILE HG13 . 17632 1 571 . 1 1 60 60 ILE HG21 H 1 0.922 0.02 . 1 . . . A 720 ILE HG21 . 17632 1 572 . 1 1 60 60 ILE HG22 H 1 0.922 0.02 . 1 . . . A 720 ILE HG22 . 17632 1 573 . 1 1 60 60 ILE HG23 H 1 0.922 0.02 . 1 . . . A 720 ILE HG23 . 17632 1 574 . 1 1 60 60 ILE HD11 H 1 0.678 0.02 . 1 . . . A 720 ILE HD11 . 17632 1 575 . 1 1 60 60 ILE HD12 H 1 0.678 0.02 . 1 . . . A 720 ILE HD12 . 17632 1 576 . 1 1 60 60 ILE HD13 H 1 0.678 0.02 . 1 . . . A 720 ILE HD13 . 17632 1 577 . 1 1 60 60 ILE CA C 13 60.551 0.3 . 1 . . . A 720 ILE CA . 17632 1 578 . 1 1 60 60 ILE CB C 13 38.371 0.3 . 1 . . . A 720 ILE CB . 17632 1 579 . 1 1 60 60 ILE CG1 C 13 26.913 0.3 . 1 . . . A 720 ILE CG1 . 17632 1 580 . 1 1 60 60 ILE CG2 C 13 17.873 0.3 . 1 . . . A 720 ILE CG2 . 17632 1 581 . 1 1 60 60 ILE CD1 C 13 14.373 0.3 . 1 . . . A 720 ILE CD1 . 17632 1 582 . 1 1 60 60 ILE N N 15 124.196 0.2 . 1 . . . A 720 ILE N . 17632 1 583 . 1 1 61 61 MET H H 1 8.785 0.02 . 1 . . . A 721 MET H . 17632 1 584 . 1 1 61 61 MET HA H 1 4.580 0.02 . 1 . . . A 721 MET HA . 17632 1 585 . 1 1 61 61 MET HB2 H 1 2.552 0.02 . 2 . . . A 721 MET HB2 . 17632 1 586 . 1 1 61 61 MET HB3 H 1 2.332 0.02 . 2 . . . A 721 MET HB3 . 17632 1 587 . 1 1 61 61 MET HG2 H 1 2.099 0.02 . 2 . . . A 721 MET HG2 . 17632 1 588 . 1 1 61 61 MET HG3 H 1 1.848 0.02 . 2 . . . A 721 MET HG3 . 17632 1 589 . 1 1 61 61 MET CA C 13 55.389 0.3 . 1 . . . A 721 MET CA . 17632 1 590 . 1 1 61 61 MET CB C 13 32.650 0.3 . 1 . . . A 721 MET CB . 17632 1 591 . 1 1 61 61 MET CG C 13 34.418 0.3 . 1 . . . A 721 MET CG . 17632 1 592 . 1 1 61 61 MET N N 15 126.661 0.2 . 1 . . . A 721 MET N . 17632 1 593 . 1 1 62 62 THR H H 1 8.535 0.02 . 1 . . . A 722 THR H . 17632 1 594 . 1 1 62 62 THR HA H 1 5.037 0.02 . 1 . . . A 722 THR HA . 17632 1 595 . 1 1 62 62 THR HB H 1 3.979 0.02 . 1 . . . A 722 THR HB . 17632 1 596 . 1 1 62 62 THR HG21 H 1 1.032 0.02 . 1 . . . A 722 THR HG21 . 17632 1 597 . 1 1 62 62 THR HG22 H 1 1.032 0.02 . 1 . . . A 722 THR HG22 . 17632 1 598 . 1 1 62 62 THR HG23 H 1 1.032 0.02 . 1 . . . A 722 THR HG23 . 17632 1 599 . 1 1 62 62 THR CA C 13 59.730 0.3 . 1 . . . A 722 THR CA . 17632 1 600 . 1 1 62 62 THR CB C 13 70.482 0.3 . 1 . . . A 722 THR CB . 17632 1 601 . 1 1 62 62 THR CG2 C 13 21.079 0.3 . 1 . . . A 722 THR CG2 . 17632 1 602 . 1 1 62 62 THR N N 15 112.057 0.2 . 1 . . . A 722 THR N . 17632 1 603 . 1 1 63 63 ALA H H 1 7.517 0.02 . 1 . . . A 723 ALA H . 17632 1 604 . 1 1 63 63 ALA HA H 1 4.261 0.02 . 1 . . . A 723 ALA HA . 17632 1 605 . 1 1 63 63 ALA HB1 H 1 1.331 0.02 . 1 . . . A 723 ALA HB1 . 17632 1 606 . 1 1 63 63 ALA HB2 H 1 1.331 0.02 . 1 . . . A 723 ALA HB2 . 17632 1 607 . 1 1 63 63 ALA HB3 H 1 1.331 0.02 . 1 . . . A 723 ALA HB3 . 17632 1 608 . 1 1 63 63 ALA CA C 13 53.051 0.3 . 1 . . . A 723 ALA CA . 17632 1 609 . 1 1 63 63 ALA CB C 13 19.979 0.3 . 1 . . . A 723 ALA CB . 17632 1 610 . 1 1 63 63 ALA N N 15 125.469 0.2 . 1 . . . A 723 ALA N . 17632 1 611 . 1 1 64 64 GLU H H 1 9.090 0.02 . 1 . . . A 724 GLU H . 17632 1 612 . 1 1 64 64 GLU HA H 1 3.847 0.02 . 1 . . . A 724 GLU HA . 17632 1 613 . 1 1 64 64 GLU HB2 H 1 2.146 0.02 . 2 . . . A 724 GLU HB2 . 17632 1 614 . 1 1 64 64 GLU HB3 H 1 2.027 0.02 . 2 . . . A 724 GLU HB3 . 17632 1 615 . 1 1 64 64 GLU HG2 H 1 2.098 0.02 . 1 . . . A 724 GLU HG2 . 17632 1 616 . 1 1 64 64 GLU HG3 H 1 2.098 0.02 . 1 . . . A 724 GLU HG3 . 17632 1 617 . 1 1 64 64 GLU CA C 13 57.054 0.3 . 1 . . . A 724 GLU CA . 17632 1 618 . 1 1 64 64 GLU CB C 13 27.501 0.3 . 1 . . . A 724 GLU CB . 17632 1 619 . 1 1 64 64 GLU CG C 13 36.624 0.3 . 1 . . . A 724 GLU CG . 17632 1 620 . 1 1 64 64 GLU N N 15 118.482 0.2 . 1 . . . A 724 GLU N . 17632 1 621 . 1 1 65 65 GLY H H 1 8.286 0.02 . 1 . . . A 725 GLY H . 17632 1 622 . 1 1 65 65 GLY HA2 H 1 4.029 0.02 . 2 . . . A 725 GLY HA2 . 17632 1 623 . 1 1 65 65 GLY HA3 H 1 3.570 0.02 . 2 . . . A 725 GLY HA3 . 17632 1 624 . 1 1 65 65 GLY CA C 13 45.629 0.3 . 1 . . . A 725 GLY CA . 17632 1 625 . 1 1 65 65 GLY N N 15 105.532 0.2 . 1 . . . A 725 GLY N . 17632 1 626 . 1 1 66 66 LEU H H 1 7.258 0.02 . 1 . . . A 726 LEU H . 17632 1 627 . 1 1 66 66 LEU HA H 1 4.872 0.02 . 1 . . . A 726 LEU HA . 17632 1 628 . 1 1 66 66 LEU HB2 H 1 1.613 0.02 . 2 . . . A 726 LEU HB2 . 17632 1 629 . 1 1 66 66 LEU HB3 H 1 1.212 0.02 . 2 . . . A 726 LEU HB3 . 17632 1 630 . 1 1 66 66 LEU HG H 1 1.453 0.02 . 1 . . . A 726 LEU HG . 17632 1 631 . 1 1 66 66 LEU HD11 H 1 0.686 0.02 . 2 . . . A 726 LEU HD11 . 17632 1 632 . 1 1 66 66 LEU HD12 H 1 0.686 0.02 . 2 . . . A 726 LEU HD12 . 17632 1 633 . 1 1 66 66 LEU HD13 H 1 0.686 0.02 . 2 . . . A 726 LEU HD13 . 17632 1 634 . 1 1 66 66 LEU HD21 H 1 0.683 0.02 . 2 . . . A 726 LEU HD21 . 17632 1 635 . 1 1 66 66 LEU HD22 H 1 0.683 0.02 . 2 . . . A 726 LEU HD22 . 17632 1 636 . 1 1 66 66 LEU HD23 H 1 0.683 0.02 . 2 . . . A 726 LEU HD23 . 17632 1 637 . 1 1 66 66 LEU CA C 13 53.022 0.3 . 1 . . . A 726 LEU CA . 17632 1 638 . 1 1 66 66 LEU CB C 13 44.226 0.3 . 1 . . . A 726 LEU CB . 17632 1 639 . 1 1 66 66 LEU CG C 13 26.724 0.3 . 1 . . . A 726 LEU CG . 17632 1 640 . 1 1 66 66 LEU CD1 C 13 25.386 0.3 . 2 . . . A 726 LEU CD1 . 17632 1 641 . 1 1 66 66 LEU CD2 C 13 23.042 0.3 . 2 . . . A 726 LEU CD2 . 17632 1 642 . 1 1 66 66 LEU N N 15 119.672 0.2 . 1 . . . A 726 LEU N . 17632 1 643 . 1 1 67 67 TYR H H 1 8.981 0.02 . 1 . . . A 727 TYR H . 17632 1 644 . 1 1 67 67 TYR HA H 1 5.038 0.02 . 1 . . . A 727 TYR HA . 17632 1 645 . 1 1 67 67 TYR HB2 H 1 2.571 0.02 . 2 . . . A 727 TYR HB2 . 17632 1 646 . 1 1 67 67 TYR HB3 H 1 2.437 0.02 . 2 . . . A 727 TYR HB3 . 17632 1 647 . 1 1 67 67 TYR HD1 H 1 6.773 0.02 . 3 . . . A 727 TYR HD1 . 17632 1 648 . 1 1 67 67 TYR HD2 H 1 6.773 0.02 . 3 . . . A 727 TYR HD2 . 17632 1 649 . 1 1 67 67 TYR HE1 H 1 6.709 0.02 . 3 . . . A 727 TYR HE1 . 17632 1 650 . 1 1 67 67 TYR HE2 H 1 6.709 0.02 . 3 . . . A 727 TYR HE2 . 17632 1 651 . 1 1 67 67 TYR CA C 13 57.188 0.3 . 1 . . . A 727 TYR CA . 17632 1 652 . 1 1 67 67 TYR CB C 13 40.700 0.3 . 1 . . . A 727 TYR CB . 17632 1 653 . 1 1 67 67 TYR CD1 C 13 132.524 0.3 . 3 . . . A 727 TYR CD1 . 17632 1 654 . 1 1 67 67 TYR CD2 C 13 132.524 0.3 . 3 . . . A 727 TYR CD2 . 17632 1 655 . 1 1 67 67 TYR CE1 C 13 118.506 0.3 . 3 . . . A 727 TYR CE1 . 17632 1 656 . 1 1 67 67 TYR CE2 C 13 118.506 0.3 . 3 . . . A 727 TYR CE2 . 17632 1 657 . 1 1 67 67 TYR N N 15 120.022 0.2 . 1 . . . A 727 TYR N . 17632 1 658 . 1 1 68 68 ARG H H 1 8.932 0.02 . 1 . . . A 728 ARG H . 17632 1 659 . 1 1 68 68 ARG HA H 1 5.167 0.02 . 1 . . . A 728 ARG HA . 17632 1 660 . 1 1 68 68 ARG HB2 H 1 2.284 0.02 . 2 . . . A 728 ARG HB2 . 17632 1 661 . 1 1 68 68 ARG HB3 H 1 1.924 0.02 . 2 . . . A 728 ARG HB3 . 17632 1 662 . 1 1 68 68 ARG HG2 H 1 1.583 0.02 . 2 . . . A 728 ARG HG2 . 17632 1 663 . 1 1 68 68 ARG HG3 H 1 1.208 0.02 . 2 . . . A 728 ARG HG3 . 17632 1 664 . 1 1 68 68 ARG HD2 H 1 2.995 0.02 . 2 . . . A 728 ARG HD2 . 17632 1 665 . 1 1 68 68 ARG HD3 H 1 2.958 0.02 . 2 . . . A 728 ARG HD3 . 17632 1 666 . 1 1 68 68 ARG CA C 13 55.665 0.3 . 1 . . . A 728 ARG CA . 17632 1 667 . 1 1 68 68 ARG CB C 13 33.943 0.3 . 1 . . . A 728 ARG CB . 17632 1 668 . 1 1 68 68 ARG CG C 13 26.755 0.3 . 1 . . . A 728 ARG CG . 17632 1 669 . 1 1 68 68 ARG CD C 13 43.661 0.3 . 1 . . . A 728 ARG CD . 17632 1 670 . 1 1 68 68 ARG N N 15 119.244 0.2 . 1 . . . A 728 ARG N . 17632 1 671 . 1 1 69 69 ILE H H 1 9.651 0.02 . 1 . . . A 729 ILE H . 17632 1 672 . 1 1 69 69 ILE HA H 1 4.879 0.02 . 1 . . . A 729 ILE HA . 17632 1 673 . 1 1 69 69 ILE HB H 1 2.015 0.02 . 1 . . . A 729 ILE HB . 17632 1 674 . 1 1 69 69 ILE HG12 H 1 1.466 0.02 . 2 . . . A 729 ILE HG12 . 17632 1 675 . 1 1 69 69 ILE HG13 H 1 0.974 0.02 . 2 . . . A 729 ILE HG13 . 17632 1 676 . 1 1 69 69 ILE HG21 H 1 0.892 0.02 . 1 . . . A 729 ILE HG21 . 17632 1 677 . 1 1 69 69 ILE HG22 H 1 0.892 0.02 . 1 . . . A 729 ILE HG22 . 17632 1 678 . 1 1 69 69 ILE HG23 H 1 0.892 0.02 . 1 . . . A 729 ILE HG23 . 17632 1 679 . 1 1 69 69 ILE HD11 H 1 0.229 0.02 . 1 . . . A 729 ILE HD11 . 17632 1 680 . 1 1 69 69 ILE HD12 H 1 0.229 0.02 . 1 . . . A 729 ILE HD12 . 17632 1 681 . 1 1 69 69 ILE HD13 H 1 0.229 0.02 . 1 . . . A 729 ILE HD13 . 17632 1 682 . 1 1 69 69 ILE CA C 13 61.761 0.3 . 1 . . . A 729 ILE CA . 17632 1 683 . 1 1 69 69 ILE CB C 13 39.922 0.3 . 1 . . . A 729 ILE CB . 17632 1 684 . 1 1 69 69 ILE CG1 C 13 26.042 0.3 . 1 . . . A 729 ILE CG1 . 17632 1 685 . 1 1 69 69 ILE CG2 C 13 19.658 0.3 . 1 . . . A 729 ILE CG2 . 17632 1 686 . 1 1 69 69 ILE CD1 C 13 13.928 0.3 . 1 . . . A 729 ILE CD1 . 17632 1 687 . 1 1 69 69 ILE N N 15 113.814 0.2 . 1 . . . A 729 ILE N . 17632 1 688 . 1 1 70 70 THR H H 1 8.026 0.02 . 1 . . . A 730 THR H . 17632 1 689 . 1 1 70 70 THR HA H 1 4.647 0.02 . 1 . . . A 730 THR HA . 17632 1 690 . 1 1 70 70 THR HB H 1 4.289 0.02 . 1 . . . A 730 THR HB . 17632 1 691 . 1 1 70 70 THR HG21 H 1 1.148 0.02 . 1 . . . A 730 THR HG21 . 17632 1 692 . 1 1 70 70 THR HG22 H 1 1.148 0.02 . 1 . . . A 730 THR HG22 . 17632 1 693 . 1 1 70 70 THR HG23 H 1 1.148 0.02 . 1 . . . A 730 THR HG23 . 17632 1 694 . 1 1 70 70 THR CA C 13 59.035 0.3 . 1 . . . A 730 THR CA . 17632 1 695 . 1 1 70 70 THR CB C 13 70.541 0.3 . 1 . . . A 730 THR CB . 17632 1 696 . 1 1 70 70 THR CG2 C 13 22.019 0.3 . 1 . . . A 730 THR CG2 . 17632 1 697 . 1 1 70 70 THR N N 15 113.586 0.2 . 1 . . . A 730 THR N . 17632 1 698 . 1 1 71 71 GLU H H 1 8.751 0.02 . 1 . . . A 731 GLU H . 17632 1 699 . 1 1 71 71 GLU HA H 1 3.961 0.02 . 1 . . . A 731 GLU HA . 17632 1 700 . 1 1 71 71 GLU HB2 H 1 1.909 0.02 . 1 . . . A 731 GLU HB2 . 17632 1 701 . 1 1 71 71 GLU HB3 H 1 1.909 0.02 . 1 . . . A 731 GLU HB3 . 17632 1 702 . 1 1 71 71 GLU HG2 H 1 2.186 0.02 . 2 . . . A 731 GLU HG2 . 17632 1 703 . 1 1 71 71 GLU HG3 H 1 2.159 0.02 . 2 . . . A 731 GLU HG3 . 17632 1 704 . 1 1 71 71 GLU CA C 13 58.507 0.3 . 1 . . . A 731 GLU CA . 17632 1 705 . 1 1 71 71 GLU CB C 13 29.539 0.3 . 1 . . . A 731 GLU CB . 17632 1 706 . 1 1 71 71 GLU CG C 13 35.936 0.3 . 1 . . . A 731 GLU CG . 17632 1 707 . 1 1 71 71 GLU N N 15 120.154 0.2 . 1 . . . A 731 GLU N . 17632 1 708 . 1 1 72 72 LYS H H 1 7.966 0.02 . 1 . . . A 732 LYS H . 17632 1 709 . 1 1 72 72 LYS HA H 1 4.035 0.02 . 1 . . . A 732 LYS HA . 17632 1 710 . 1 1 72 72 LYS HB2 H 1 1.787 0.02 . 2 . . . A 732 LYS HB2 . 17632 1 711 . 1 1 72 72 LYS HB3 H 1 1.631 0.02 . 2 . . . A 732 LYS HB3 . 17632 1 712 . 1 1 72 72 LYS HG2 H 1 1.346 0.02 . 2 . . . A 732 LYS HG2 . 17632 1 713 . 1 1 72 72 LYS HG3 H 1 1.295 0.02 . 2 . . . A 732 LYS HG3 . 17632 1 714 . 1 1 72 72 LYS HD2 H 1 1.561 0.02 . 2 . . . A 732 LYS HD2 . 17632 1 715 . 1 1 72 72 LYS HD3 H 1 1.454 0.02 . 2 . . . A 732 LYS HD3 . 17632 1 716 . 1 1 72 72 LYS HE2 H 1 2.938 0.02 . 2 . . . A 732 LYS HE2 . 17632 1 717 . 1 1 72 72 LYS HE3 H 1 2.878 0.02 . 2 . . . A 732 LYS HE3 . 17632 1 718 . 1 1 72 72 LYS CA C 13 57.469 0.3 . 1 . . . A 732 LYS CA . 17632 1 719 . 1 1 72 72 LYS CB C 13 33.052 0.3 . 1 . . . A 732 LYS CB . 17632 1 720 . 1 1 72 72 LYS CG C 13 25.365 0.3 . 1 . . . A 732 LYS CG . 17632 1 721 . 1 1 72 72 LYS CD C 13 28.949 0.3 . 1 . . . A 732 LYS CD . 17632 1 722 . 1 1 72 72 LYS CE C 13 42.023 0.3 . 1 . . . A 732 LYS CE . 17632 1 723 . 1 1 72 72 LYS N N 15 114.949 0.2 . 1 . . . A 732 LYS N . 17632 1 724 . 1 1 73 73 LYS H H 1 6.920 0.02 . 1 . . . A 733 LYS H . 17632 1 725 . 1 1 73 73 LYS HA H 1 4.191 0.02 . 1 . . . A 733 LYS HA . 17632 1 726 . 1 1 73 73 LYS HB2 H 1 1.327 0.02 . 1 . . . A 733 LYS HB2 . 17632 1 727 . 1 1 73 73 LYS HB3 H 1 1.327 0.02 . 1 . . . A 733 LYS HB3 . 17632 1 728 . 1 1 73 73 LYS HG2 H 1 0.703 0.02 . 1 . . . A 733 LYS HG2 . 17632 1 729 . 1 1 73 73 LYS HG3 H 1 0.703 0.02 . 1 . . . A 733 LYS HG3 . 17632 1 730 . 1 1 73 73 LYS HD2 H 1 1.199 0.02 . 2 . . . A 733 LYS HD2 . 17632 1 731 . 1 1 73 73 LYS HD3 H 1 1.092 0.02 . 2 . . . A 733 LYS HD3 . 17632 1 732 . 1 1 73 73 LYS HE2 H 1 2.198 0.02 . 1 . . . A 733 LYS HE2 . 17632 1 733 . 1 1 73 73 LYS HE3 H 1 2.198 0.02 . 1 . . . A 733 LYS HE3 . 17632 1 734 . 1 1 73 73 LYS CA C 13 55.247 0.3 . 1 . . . A 733 LYS CA . 17632 1 735 . 1 1 73 73 LYS CB C 13 34.529 0.3 . 1 . . . A 733 LYS CB . 17632 1 736 . 1 1 73 73 LYS CG C 13 24.180 0.3 . 1 . . . A 733 LYS CG . 17632 1 737 . 1 1 73 73 LYS CD C 13 28.185 0.3 . 1 . . . A 733 LYS CD . 17632 1 738 . 1 1 73 73 LYS CE C 13 41.668 0.3 . 1 . . . A 733 LYS CE . 17632 1 739 . 1 1 73 73 LYS N N 15 119.107 0.2 . 1 . . . A 733 LYS N . 17632 1 740 . 1 1 74 74 ALA H H 1 7.978 0.02 . 1 . . . A 734 ALA H . 17632 1 741 . 1 1 74 74 ALA HA H 1 4.953 0.02 . 1 . . . A 734 ALA HA . 17632 1 742 . 1 1 74 74 ALA HB1 H 1 1.125 0.02 . 1 . . . A 734 ALA HB1 . 17632 1 743 . 1 1 74 74 ALA HB2 H 1 1.125 0.02 . 1 . . . A 734 ALA HB2 . 17632 1 744 . 1 1 74 74 ALA HB3 H 1 1.125 0.02 . 1 . . . A 734 ALA HB3 . 17632 1 745 . 1 1 74 74 ALA CA C 13 50.045 0.3 . 1 . . . A 734 ALA CA . 17632 1 746 . 1 1 74 74 ALA CB C 13 23.115 0.3 . 1 . . . A 734 ALA CB . 17632 1 747 . 1 1 74 74 ALA N N 15 126.893 0.2 . 1 . . . A 734 ALA N . 17632 1 748 . 1 1 75 75 PHE H H 1 9.109 0.02 . 1 . . . A 735 PHE H . 17632 1 749 . 1 1 75 75 PHE HA H 1 4.749 0.02 . 1 . . . A 735 PHE HA . 17632 1 750 . 1 1 75 75 PHE HB2 H 1 3.209 0.02 . 2 . . . A 735 PHE HB2 . 17632 1 751 . 1 1 75 75 PHE HB3 H 1 2.751 0.02 . 2 . . . A 735 PHE HB3 . 17632 1 752 . 1 1 75 75 PHE HD1 H 1 7.206 0.02 . 3 . . . A 735 PHE HD1 . 17632 1 753 . 1 1 75 75 PHE HD2 H 1 7.206 0.02 . 3 . . . A 735 PHE HD2 . 17632 1 754 . 1 1 75 75 PHE HE1 H 1 7.331 0.02 . 3 . . . A 735 PHE HE1 . 17632 1 755 . 1 1 75 75 PHE HE2 H 1 7.331 0.02 . 3 . . . A 735 PHE HE2 . 17632 1 756 . 1 1 75 75 PHE CA C 13 56.757 0.3 . 1 . . . A 735 PHE CA . 17632 1 757 . 1 1 75 75 PHE CB C 13 43.552 0.3 . 1 . . . A 735 PHE CB . 17632 1 758 . 1 1 75 75 PHE CD1 C 13 130.101 0.3 . 3 . . . A 735 PHE CD1 . 17632 1 759 . 1 1 75 75 PHE CD2 C 13 130.101 0.3 . 3 . . . A 735 PHE CD2 . 17632 1 760 . 1 1 75 75 PHE CE1 C 13 130.232 0.3 . 3 . . . A 735 PHE CE1 . 17632 1 761 . 1 1 75 75 PHE CE2 C 13 130.232 0.3 . 3 . . . A 735 PHE CE2 . 17632 1 762 . 1 1 75 75 PHE N N 15 117.225 0.2 . 1 . . . A 735 PHE N . 17632 1 763 . 1 1 76 76 ARG H H 1 9.094 0.02 . 1 . . . A 736 ARG H . 17632 1 764 . 1 1 76 76 ARG HA H 1 4.507 0.02 . 1 . . . A 736 ARG HA . 17632 1 765 . 1 1 76 76 ARG HB2 H 1 1.970 0.02 . 2 . . . A 736 ARG HB2 . 17632 1 766 . 1 1 76 76 ARG HB3 H 1 1.857 0.02 . 2 . . . A 736 ARG HB3 . 17632 1 767 . 1 1 76 76 ARG HG2 H 1 1.656 0.02 . 1 . . . A 736 ARG HG2 . 17632 1 768 . 1 1 76 76 ARG HG3 H 1 1.656 0.02 . 1 . . . A 736 ARG HG3 . 17632 1 769 . 1 1 76 76 ARG HD2 H 1 3.206 0.02 . 2 . . . A 736 ARG HD2 . 17632 1 770 . 1 1 76 76 ARG HD3 H 1 3.173 0.02 . 2 . . . A 736 ARG HD3 . 17632 1 771 . 1 1 76 76 ARG CA C 13 56.905 0.3 . 1 . . . A 736 ARG CA . 17632 1 772 . 1 1 76 76 ARG CB C 13 30.136 0.3 . 1 . . . A 736 ARG CB . 17632 1 773 . 1 1 76 76 ARG CG C 13 27.350 0.3 . 1 . . . A 736 ARG CG . 17632 1 774 . 1 1 76 76 ARG CD C 13 43.238 0.3 . 1 . . . A 736 ARG CD . 17632 1 775 . 1 1 76 76 ARG N N 15 119.450 0.2 . 1 . . . A 736 ARG N . 17632 1 776 . 1 1 77 77 GLY H H 1 7.130 0.02 . 1 . . . A 737 GLY H . 17632 1 777 . 1 1 77 77 GLY HA2 H 1 3.840 0.02 . 2 . . . A 737 GLY HA2 . 17632 1 778 . 1 1 77 77 GLY HA3 H 1 3.633 0.02 . 2 . . . A 737 GLY HA3 . 17632 1 779 . 1 1 77 77 GLY CA C 13 44.722 0.3 . 1 . . . A 737 GLY CA . 17632 1 780 . 1 1 77 77 GLY N N 15 104.065 0.2 . 1 . . . A 737 GLY N . 17632 1 781 . 1 1 78 78 LEU H H 1 7.835 0.02 . 1 . . . A 738 LEU H . 17632 1 782 . 1 1 78 78 LEU HA H 1 3.365 0.02 . 1 . . . A 738 LEU HA . 17632 1 783 . 1 1 78 78 LEU HB2 H 1 1.100 0.02 . 2 . . . A 738 LEU HB2 . 17632 1 784 . 1 1 78 78 LEU HB3 H 1 0.909 0.02 . 2 . . . A 738 LEU HB3 . 17632 1 785 . 1 1 78 78 LEU HG H 1 1.049 0.02 . 1 . . . A 738 LEU HG . 17632 1 786 . 1 1 78 78 LEU HD11 H 1 0.182 0.02 . 2 . . . A 738 LEU HD11 . 17632 1 787 . 1 1 78 78 LEU HD12 H 1 0.182 0.02 . 2 . . . A 738 LEU HD12 . 17632 1 788 . 1 1 78 78 LEU HD13 H 1 0.182 0.02 . 2 . . . A 738 LEU HD13 . 17632 1 789 . 1 1 78 78 LEU HD21 H 1 0.202 0.02 . 2 . . . A 738 LEU HD21 . 17632 1 790 . 1 1 78 78 LEU HD22 H 1 0.202 0.02 . 2 . . . A 738 LEU HD22 . 17632 1 791 . 1 1 78 78 LEU HD23 H 1 0.202 0.02 . 2 . . . A 738 LEU HD23 . 17632 1 792 . 1 1 78 78 LEU CA C 13 57.107 0.3 . 1 . . . A 738 LEU CA . 17632 1 793 . 1 1 78 78 LEU CB C 13 42.095 0.3 . 1 . . . A 738 LEU CB . 17632 1 794 . 1 1 78 78 LEU CG C 13 26.235 0.3 . 1 . . . A 738 LEU CG . 17632 1 795 . 1 1 78 78 LEU CD1 C 13 24.579 0.3 . 2 . . . A 738 LEU CD1 . 17632 1 796 . 1 1 78 78 LEU CD2 C 13 23.988 0.3 . 2 . . . A 738 LEU CD2 . 17632 1 797 . 1 1 78 78 LEU N N 15 120.961 0.2 . 1 . . . A 738 LEU N . 17632 1 798 . 1 1 79 79 THR H H 1 8.104 0.02 . 1 . . . A 739 THR H . 17632 1 799 . 1 1 79 79 THR HA H 1 3.577 0.02 . 1 . . . A 739 THR HA . 17632 1 800 . 1 1 79 79 THR HB H 1 3.998 0.02 . 1 . . . A 739 THR HB . 17632 1 801 . 1 1 79 79 THR HG21 H 1 1.092 0.02 . 1 . . . A 739 THR HG21 . 17632 1 802 . 1 1 79 79 THR HG22 H 1 1.092 0.02 . 1 . . . A 739 THR HG22 . 17632 1 803 . 1 1 79 79 THR HG23 H 1 1.092 0.02 . 1 . . . A 739 THR HG23 . 17632 1 804 . 1 1 79 79 THR CA C 13 66.407 0.3 . 1 . . . A 739 THR CA . 17632 1 805 . 1 1 79 79 THR CB C 13 67.509 0.3 . 1 . . . A 739 THR CB . 17632 1 806 . 1 1 79 79 THR CG2 C 13 22.190 0.3 . 1 . . . A 739 THR CG2 . 17632 1 807 . 1 1 79 79 THR N N 15 112.253 0.2 . 1 . . . A 739 THR N . 17632 1 808 . 1 1 80 80 GLU H H 1 8.107 0.02 . 1 . . . A 740 GLU H . 17632 1 809 . 1 1 80 80 GLU HA H 1 3.821 0.02 . 1 . . . A 740 GLU HA . 17632 1 810 . 1 1 80 80 GLU HB2 H 1 2.046 0.02 . 1 . . . A 740 GLU HB2 . 17632 1 811 . 1 1 80 80 GLU HB3 H 1 2.046 0.02 . 1 . . . A 740 GLU HB3 . 17632 1 812 . 1 1 80 80 GLU HG2 H 1 2.473 0.02 . 2 . . . A 740 GLU HG2 . 17632 1 813 . 1 1 80 80 GLU HG3 H 1 2.323 0.02 . 2 . . . A 740 GLU HG3 . 17632 1 814 . 1 1 80 80 GLU CA C 13 60.180 0.3 . 1 . . . A 740 GLU CA . 17632 1 815 . 1 1 80 80 GLU CB C 13 29.574 0.3 . 1 . . . A 740 GLU CB . 17632 1 816 . 1 1 80 80 GLU CG C 13 37.546 0.3 . 1 . . . A 740 GLU CG . 17632 1 817 . 1 1 80 80 GLU N N 15 121.052 0.2 . 1 . . . A 740 GLU N . 17632 1 818 . 1 1 81 81 LEU H H 1 6.748 0.02 . 1 . . . A 741 LEU H . 17632 1 819 . 1 1 81 81 LEU HA H 1 2.026 0.02 . 1 . . . A 741 LEU HA . 17632 1 820 . 1 1 81 81 LEU HB2 H 1 1.549 0.02 . 2 . . . A 741 LEU HB2 . 17632 1 821 . 1 1 81 81 LEU HB3 H 1 1.107 0.02 . 2 . . . A 741 LEU HB3 . 17632 1 822 . 1 1 81 81 LEU HG H 1 0.891 0.02 . 1 . . . A 741 LEU HG . 17632 1 823 . 1 1 81 81 LEU HD11 H 1 1.352 0.02 . 2 . . . A 741 LEU HD11 . 17632 1 824 . 1 1 81 81 LEU HD12 H 1 1.352 0.02 . 2 . . . A 741 LEU HD12 . 17632 1 825 . 1 1 81 81 LEU HD13 H 1 1.352 0.02 . 2 . . . A 741 LEU HD13 . 17632 1 826 . 1 1 81 81 LEU HD21 H 1 0.537 0.02 . 2 . . . A 741 LEU HD21 . 17632 1 827 . 1 1 81 81 LEU HD22 H 1 0.537 0.02 . 2 . . . A 741 LEU HD22 . 17632 1 828 . 1 1 81 81 LEU HD23 H 1 0.537 0.02 . 2 . . . A 741 LEU HD23 . 17632 1 829 . 1 1 81 81 LEU CA C 13 58.626 0.3 . 1 . . . A 741 LEU CA . 17632 1 830 . 1 1 81 81 LEU CB C 13 41.969 0.3 . 1 . . . A 741 LEU CB . 17632 1 831 . 1 1 81 81 LEU CG C 13 28.444 0.3 . 1 . . . A 741 LEU CG . 17632 1 832 . 1 1 81 81 LEU CD1 C 13 27.554 0.3 . 2 . . . A 741 LEU CD1 . 17632 1 833 . 1 1 81 81 LEU CD2 C 13 24.386 0.3 . 2 . . . A 741 LEU CD2 . 17632 1 834 . 1 1 81 81 LEU N N 15 121.757 0.2 . 1 . . . A 741 LEU N . 17632 1 835 . 1 1 82 82 VAL H H 1 7.674 0.02 . 1 . . . A 742 VAL H . 17632 1 836 . 1 1 82 82 VAL HA H 1 2.725 0.02 . 1 . . . A 742 VAL HA . 17632 1 837 . 1 1 82 82 VAL HB H 1 1.129 0.02 . 1 . . . A 742 VAL HB . 17632 1 838 . 1 1 82 82 VAL HG11 H 1 -0.325 0.02 . 2 . . . A 742 VAL HG11 . 17632 1 839 . 1 1 82 82 VAL HG12 H 1 -0.325 0.02 . 2 . . . A 742 VAL HG12 . 17632 1 840 . 1 1 82 82 VAL HG13 H 1 -0.325 0.02 . 2 . . . A 742 VAL HG13 . 17632 1 841 . 1 1 82 82 VAL HG21 H 1 -0.400 0.02 . 2 . . . A 742 VAL HG21 . 17632 1 842 . 1 1 82 82 VAL HG22 H 1 -0.400 0.02 . 2 . . . A 742 VAL HG22 . 17632 1 843 . 1 1 82 82 VAL HG23 H 1 -0.400 0.02 . 2 . . . A 742 VAL HG23 . 17632 1 844 . 1 1 82 82 VAL CA C 13 66.919 0.3 . 1 . . . A 742 VAL CA . 17632 1 845 . 1 1 82 82 VAL CB C 13 31.240 0.3 . 1 . . . A 742 VAL CB . 17632 1 846 . 1 1 82 82 VAL CG1 C 13 22.439 0.3 . 2 . . . A 742 VAL CG1 . 17632 1 847 . 1 1 82 82 VAL CG2 C 13 19.466 0.3 . 2 . . . A 742 VAL CG2 . 17632 1 848 . 1 1 82 82 VAL N N 15 119.239 0.2 . 1 . . . A 742 VAL N . 17632 1 849 . 1 1 83 83 GLU H H 1 8.174 0.02 . 1 . . . A 743 GLU H . 17632 1 850 . 1 1 83 83 GLU HA H 1 4.046 0.02 . 1 . . . A 743 GLU HA . 17632 1 851 . 1 1 83 83 GLU HB2 H 1 1.925 0.02 . 2 . . . A 743 GLU HB2 . 17632 1 852 . 1 1 83 83 GLU HB3 H 1 1.815 0.02 . 2 . . . A 743 GLU HB3 . 17632 1 853 . 1 1 83 83 GLU HG2 H 1 2.496 0.02 . 2 . . . A 743 GLU HG2 . 17632 1 854 . 1 1 83 83 GLU HG3 H 1 2.430 0.02 . 2 . . . A 743 GLU HG3 . 17632 1 855 . 1 1 83 83 GLU CA C 13 59.092 0.3 . 1 . . . A 743 GLU CA . 17632 1 856 . 1 1 83 83 GLU CB C 13 29.260 0.3 . 1 . . . A 743 GLU CB . 17632 1 857 . 1 1 83 83 GLU CG C 13 37.010 0.3 . 1 . . . A 743 GLU CG . 17632 1 858 . 1 1 83 83 GLU N N 15 116.277 0.2 . 1 . . . A 743 GLU N . 17632 1 859 . 1 1 84 84 PHE H H 1 7.556 0.02 . 1 . . . A 744 PHE H . 17632 1 860 . 1 1 84 84 PHE HA H 1 3.890 0.02 . 1 . . . A 744 PHE HA . 17632 1 861 . 1 1 84 84 PHE HB2 H 1 2.852 0.02 . 2 . . . A 744 PHE HB2 . 17632 1 862 . 1 1 84 84 PHE HB3 H 1 2.528 0.02 . 2 . . . A 744 PHE HB3 . 17632 1 863 . 1 1 84 84 PHE HD1 H 1 7.046 0.02 . 3 . . . A 744 PHE HD1 . 17632 1 864 . 1 1 84 84 PHE HD2 H 1 7.046 0.02 . 3 . . . A 744 PHE HD2 . 17632 1 865 . 1 1 84 84 PHE HE1 H 1 7.057 0.02 . 3 . . . A 744 PHE HE1 . 17632 1 866 . 1 1 84 84 PHE HE2 H 1 7.057 0.02 . 3 . . . A 744 PHE HE2 . 17632 1 867 . 1 1 84 84 PHE CA C 13 62.629 0.3 . 1 . . . A 744 PHE CA . 17632 1 868 . 1 1 84 84 PHE CB C 13 39.723 0.3 . 1 . . . A 744 PHE CB . 17632 1 869 . 1 1 84 84 PHE CD1 C 13 131.586 0.3 . 3 . . . A 744 PHE CD1 . 17632 1 870 . 1 1 84 84 PHE CD2 C 13 131.586 0.3 . 3 . . . A 744 PHE CD2 . 17632 1 871 . 1 1 84 84 PHE N N 15 119.399 0.2 . 1 . . . A 744 PHE N . 17632 1 872 . 1 1 85 85 TYR H H 1 7.503 0.02 . 1 . . . A 745 TYR H . 17632 1 873 . 1 1 85 85 TYR HA H 1 4.992 0.02 . 1 . . . A 745 TYR HA . 17632 1 874 . 1 1 85 85 TYR HB2 H 1 3.195 0.02 . 2 . . . A 745 TYR HB2 . 17632 1 875 . 1 1 85 85 TYR HB3 H 1 2.280 0.02 . 2 . . . A 745 TYR HB3 . 17632 1 876 . 1 1 85 85 TYR HD1 H 1 6.871 0.02 . 3 . . . A 745 TYR HD1 . 17632 1 877 . 1 1 85 85 TYR HD2 H 1 6.871 0.02 . 3 . . . A 745 TYR HD2 . 17632 1 878 . 1 1 85 85 TYR HE1 H 1 6.904 0.02 . 3 . . . A 745 TYR HE1 . 17632 1 879 . 1 1 85 85 TYR HE2 H 1 6.904 0.02 . 3 . . . A 745 TYR HE2 . 17632 1 880 . 1 1 85 85 TYR CA C 13 60.978 0.3 . 1 . . . A 745 TYR CA . 17632 1 881 . 1 1 85 85 TYR CB C 13 36.828 0.3 . 1 . . . A 745 TYR CB . 17632 1 882 . 1 1 85 85 TYR CD1 C 13 130.335 0.3 . 3 . . . A 745 TYR CD1 . 17632 1 883 . 1 1 85 85 TYR CD2 C 13 130.335 0.3 . 3 . . . A 745 TYR CD2 . 17632 1 884 . 1 1 85 85 TYR CE1 C 13 118.815 0.3 . 3 . . . A 745 TYR CE1 . 17632 1 885 . 1 1 85 85 TYR CE2 C 13 118.815 0.3 . 3 . . . A 745 TYR CE2 . 17632 1 886 . 1 1 85 85 TYR N N 15 117.583 0.2 . 1 . . . A 745 TYR N . 17632 1 887 . 1 1 86 86 GLN H H 1 7.882 0.02 . 1 . . . A 746 GLN H . 17632 1 888 . 1 1 86 86 GLN HA H 1 4.305 0.02 . 1 . . . A 746 GLN HA . 17632 1 889 . 1 1 86 86 GLN HB2 H 1 2.191 0.02 . 2 . . . A 746 GLN HB2 . 17632 1 890 . 1 1 86 86 GLN HB3 H 1 1.944 0.02 . 2 . . . A 746 GLN HB3 . 17632 1 891 . 1 1 86 86 GLN HG2 H 1 2.436 0.02 . 1 . . . A 746 GLN HG2 . 17632 1 892 . 1 1 86 86 GLN HG3 H 1 2.436 0.02 . 1 . . . A 746 GLN HG3 . 17632 1 893 . 1 1 86 86 GLN CA C 13 58.272 0.3 . 1 . . . A 746 GLN CA . 17632 1 894 . 1 1 86 86 GLN CB C 13 30.334 0.3 . 1 . . . A 746 GLN CB . 17632 1 895 . 1 1 86 86 GLN CG C 13 34.996 0.3 . 1 . . . A 746 GLN CG . 17632 1 896 . 1 1 86 86 GLN N N 15 118.412 0.2 . 1 . . . A 746 GLN N . 17632 1 897 . 1 1 87 87 GLN H H 1 6.860 0.02 . 1 . . . A 747 GLN H . 17632 1 898 . 1 1 87 87 GLN HA H 1 4.252 0.02 . 1 . . . A 747 GLN HA . 17632 1 899 . 1 1 87 87 GLN HB2 H 1 1.895 0.02 . 2 . . . A 747 GLN HB2 . 17632 1 900 . 1 1 87 87 GLN HB3 H 1 1.637 0.02 . 2 . . . A 747 GLN HB3 . 17632 1 901 . 1 1 87 87 GLN HG2 H 1 2.221 0.02 . 2 . . . A 747 GLN HG2 . 17632 1 902 . 1 1 87 87 GLN HG3 H 1 2.145 0.02 . 2 . . . A 747 GLN HG3 . 17632 1 903 . 1 1 87 87 GLN CA C 13 55.466 0.3 . 1 . . . A 747 GLN CA . 17632 1 904 . 1 1 87 87 GLN CB C 13 30.772 0.3 . 1 . . . A 747 GLN CB . 17632 1 905 . 1 1 87 87 GLN CG C 13 33.526 0.3 . 1 . . . A 747 GLN CG . 17632 1 906 . 1 1 87 87 GLN N N 15 114.714 0.2 . 1 . . . A 747 GLN N . 17632 1 907 . 1 1 88 88 ASN H H 1 7.459 0.02 . 1 . . . A 748 ASN H . 17632 1 908 . 1 1 88 88 ASN HA H 1 4.455 0.02 . 1 . . . A 748 ASN HA . 17632 1 909 . 1 1 88 88 ASN HB2 H 1 2.101 0.02 . 2 . . . A 748 ASN HB2 . 17632 1 910 . 1 1 88 88 ASN HB3 H 1 1.665 0.02 . 2 . . . A 748 ASN HB3 . 17632 1 911 . 1 1 88 88 ASN CA C 13 52.113 0.3 . 1 . . . A 748 ASN CA . 17632 1 912 . 1 1 88 88 ASN CB C 13 41.185 0.3 . 1 . . . A 748 ASN CB . 17632 1 913 . 1 1 88 88 ASN N N 15 119.061 0.2 . 1 . . . A 748 ASN N . 17632 1 914 . 1 1 89 89 SER H H 1 8.189 0.02 . 1 . . . A 749 SER H . 17632 1 915 . 1 1 89 89 SER HA H 1 3.742 0.02 . 1 . . . A 749 SER HA . 17632 1 916 . 1 1 89 89 SER HB2 H 1 3.854 0.02 . 2 . . . A 749 SER HB2 . 17632 1 917 . 1 1 89 89 SER HB3 H 1 3.563 0.02 . 2 . . . A 749 SER HB3 . 17632 1 918 . 1 1 89 89 SER CA C 13 58.103 0.3 . 1 . . . A 749 SER CA . 17632 1 919 . 1 1 89 89 SER CB C 13 62.774 0.3 . 1 . . . A 749 SER CB . 17632 1 920 . 1 1 89 89 SER N N 15 111.571 0.2 . 1 . . . A 749 SER N . 17632 1 921 . 1 1 90 90 LEU H H 1 8.329 0.02 . 1 . . . A 750 LEU H . 17632 1 922 . 1 1 90 90 LEU HA H 1 4.196 0.02 . 1 . . . A 750 LEU HA . 17632 1 923 . 1 1 90 90 LEU HB2 H 1 2.150 0.02 . 2 . . . A 750 LEU HB2 . 17632 1 924 . 1 1 90 90 LEU HB3 H 1 1.572 0.02 . 2 . . . A 750 LEU HB3 . 17632 1 925 . 1 1 90 90 LEU HG H 1 1.617 0.02 . 1 . . . A 750 LEU HG . 17632 1 926 . 1 1 90 90 LEU HD11 H 1 0.434 0.02 . 2 . . . A 750 LEU HD11 . 17632 1 927 . 1 1 90 90 LEU HD12 H 1 0.434 0.02 . 2 . . . A 750 LEU HD12 . 17632 1 928 . 1 1 90 90 LEU HD13 H 1 0.434 0.02 . 2 . . . A 750 LEU HD13 . 17632 1 929 . 1 1 90 90 LEU HD21 H 1 0.292 0.02 . 2 . . . A 750 LEU HD21 . 17632 1 930 . 1 1 90 90 LEU HD22 H 1 0.292 0.02 . 2 . . . A 750 LEU HD22 . 17632 1 931 . 1 1 90 90 LEU HD23 H 1 0.292 0.02 . 2 . . . A 750 LEU HD23 . 17632 1 932 . 1 1 90 90 LEU CA C 13 57.169 0.3 . 1 . . . A 750 LEU CA . 17632 1 933 . 1 1 90 90 LEU CB C 13 42.491 0.3 . 1 . . . A 750 LEU CB . 17632 1 934 . 1 1 90 90 LEU CG C 13 27.683 0.3 . 1 . . . A 750 LEU CG . 17632 1 935 . 1 1 90 90 LEU CD1 C 13 25.545 0.3 . 2 . . . A 750 LEU CD1 . 17632 1 936 . 1 1 90 90 LEU CD2 C 13 23.751 0.3 . 2 . . . A 750 LEU CD2 . 17632 1 937 . 1 1 90 90 LEU N N 15 126.051 0.2 . 1 . . . A 750 LEU N . 17632 1 938 . 1 1 91 91 LYS H H 1 8.311 0.02 . 1 . . . A 751 LYS H . 17632 1 939 . 1 1 91 91 LYS HA H 1 4.290 0.02 . 1 . . . A 751 LYS HA . 17632 1 940 . 1 1 91 91 LYS HB2 H 1 1.807 0.02 . 2 . . . A 751 LYS HB2 . 17632 1 941 . 1 1 91 91 LYS HB3 H 1 1.462 0.02 . 2 . . . A 751 LYS HB3 . 17632 1 942 . 1 1 91 91 LYS HG2 H 1 1.280 0.02 . 2 . . . A 751 LYS HG2 . 17632 1 943 . 1 1 91 91 LYS HG3 H 1 1.166 0.02 . 2 . . . A 751 LYS HG3 . 17632 1 944 . 1 1 91 91 LYS HD2 H 1 1.638 0.02 . 2 . . . A 751 LYS HD2 . 17632 1 945 . 1 1 91 91 LYS HD3 H 1 1.476 0.02 . 2 . . . A 751 LYS HD3 . 17632 1 946 . 1 1 91 91 LYS HE2 H 1 2.871 0.02 . 1 . . . A 751 LYS HE2 . 17632 1 947 . 1 1 91 91 LYS HE3 H 1 2.871 0.02 . 1 . . . A 751 LYS HE3 . 17632 1 948 . 1 1 91 91 LYS CA C 13 57.734 0.3 . 1 . . . A 751 LYS CA . 17632 1 949 . 1 1 91 91 LYS CB C 13 32.295 0.3 . 1 . . . A 751 LYS CB . 17632 1 950 . 1 1 91 91 LYS CG C 13 24.057 0.3 . 1 . . . A 751 LYS CG . 17632 1 951 . 1 1 91 91 LYS CD C 13 29.145 0.3 . 1 . . . A 751 LYS CD . 17632 1 952 . 1 1 91 91 LYS CE C 13 42.125 0.3 . 1 . . . A 751 LYS CE . 17632 1 953 . 1 1 91 91 LYS N N 15 120.830 0.2 . 1 . . . A 751 LYS N . 17632 1 954 . 1 1 92 92 ASP H H 1 7.238 0.02 . 1 . . . A 752 ASP H . 17632 1 955 . 1 1 92 92 ASP HA H 1 4.405 0.02 . 1 . . . A 752 ASP HA . 17632 1 956 . 1 1 92 92 ASP HB2 H 1 2.776 0.02 . 1 . . . A 752 ASP HB2 . 17632 1 957 . 1 1 92 92 ASP HB3 H 1 2.776 0.02 . 1 . . . A 752 ASP HB3 . 17632 1 958 . 1 1 92 92 ASP CA C 13 55.931 0.3 . 1 . . . A 752 ASP CA . 17632 1 959 . 1 1 92 92 ASP CB C 13 40.987 0.3 . 1 . . . A 752 ASP CB . 17632 1 960 . 1 1 92 92 ASP N N 15 116.180 0.2 . 1 . . . A 752 ASP N . 17632 1 961 . 1 1 93 93 CYS H H 1 7.914 0.02 . 1 . . . A 753 CYS H . 17632 1 962 . 1 1 93 93 CYS HA H 1 4.394 0.02 . 1 . . . A 753 CYS HA . 17632 1 963 . 1 1 93 93 CYS HB2 H 1 2.564 0.02 . 2 . . . A 753 CYS HB2 . 17632 1 964 . 1 1 93 93 CYS HB3 H 1 2.171 0.02 . 2 . . . A 753 CYS HB3 . 17632 1 965 . 1 1 93 93 CYS CA C 13 58.714 0.3 . 1 . . . A 753 CYS CA . 17632 1 966 . 1 1 93 93 CYS CB C 13 30.072 0.3 . 1 . . . A 753 CYS CB . 17632 1 967 . 1 1 93 93 CYS N N 15 115.002 0.2 . 1 . . . A 753 CYS N . 17632 1 968 . 1 1 94 94 PHE H H 1 8.135 0.02 . 1 . . . A 754 PHE H . 17632 1 969 . 1 1 94 94 PHE HA H 1 4.651 0.02 . 1 . . . A 754 PHE HA . 17632 1 970 . 1 1 94 94 PHE HB2 H 1 3.026 0.02 . 2 . . . A 754 PHE HB2 . 17632 1 971 . 1 1 94 94 PHE HB3 H 1 2.633 0.02 . 2 . . . A 754 PHE HB3 . 17632 1 972 . 1 1 94 94 PHE HD1 H 1 7.109 0.02 . 3 . . . A 754 PHE HD1 . 17632 1 973 . 1 1 94 94 PHE HD2 H 1 7.109 0.02 . 3 . . . A 754 PHE HD2 . 17632 1 974 . 1 1 94 94 PHE HE1 H 1 7.211 0.02 . 3 . . . A 754 PHE HE1 . 17632 1 975 . 1 1 94 94 PHE HE2 H 1 7.211 0.02 . 3 . . . A 754 PHE HE2 . 17632 1 976 . 1 1 94 94 PHE CA C 13 56.694 0.3 . 1 . . . A 754 PHE CA . 17632 1 977 . 1 1 94 94 PHE CB C 13 41.007 0.3 . 1 . . . A 754 PHE CB . 17632 1 978 . 1 1 94 94 PHE CD1 C 13 132.768 0.3 . 3 . . . A 754 PHE CD1 . 17632 1 979 . 1 1 94 94 PHE CD2 C 13 132.768 0.3 . 3 . . . A 754 PHE CD2 . 17632 1 980 . 1 1 94 94 PHE CE1 C 13 132.636 0.3 . 3 . . . A 754 PHE CE1 . 17632 1 981 . 1 1 94 94 PHE CE2 C 13 132.636 0.3 . 3 . . . A 754 PHE CE2 . 17632 1 982 . 1 1 94 94 PHE N N 15 119.117 0.2 . 1 . . . A 754 PHE N . 17632 1 983 . 1 1 95 95 LYS H H 1 8.299 0.02 . 1 . . . A 755 LYS H . 17632 1 984 . 1 1 95 95 LYS HA H 1 4.076 0.02 . 1 . . . A 755 LYS HA . 17632 1 985 . 1 1 95 95 LYS HB2 H 1 1.658 0.02 . 2 . . . A 755 LYS HB2 . 17632 1 986 . 1 1 95 95 LYS HB3 H 1 1.610 0.02 . 2 . . . A 755 LYS HB3 . 17632 1 987 . 1 1 95 95 LYS HG2 H 1 1.299 0.02 . 2 . . . A 755 LYS HG2 . 17632 1 988 . 1 1 95 95 LYS HG3 H 1 1.269 0.02 . 2 . . . A 755 LYS HG3 . 17632 1 989 . 1 1 95 95 LYS HD2 H 1 1.422 0.02 . 1 . . . A 755 LYS HD2 . 17632 1 990 . 1 1 95 95 LYS HD3 H 1 1.422 0.02 . 1 . . . A 755 LYS HD3 . 17632 1 991 . 1 1 95 95 LYS HE2 H 1 2.694 0.02 . 2 . . . A 755 LYS HE2 . 17632 1 992 . 1 1 95 95 LYS HE3 H 1 2.522 0.02 . 2 . . . A 755 LYS HE3 . 17632 1 993 . 1 1 95 95 LYS CA C 13 58.638 0.3 . 1 . . . A 755 LYS CA . 17632 1 994 . 1 1 95 95 LYS CB C 13 32.473 0.3 . 1 . . . A 755 LYS CB . 17632 1 995 . 1 1 95 95 LYS CG C 13 24.613 0.3 . 1 . . . A 755 LYS CG . 17632 1 996 . 1 1 95 95 LYS CD C 13 29.037 0.3 . 1 . . . A 755 LYS CD . 17632 1 997 . 1 1 95 95 LYS CE C 13 41.734 0.3 . 1 . . . A 755 LYS CE . 17632 1 998 . 1 1 95 95 LYS N N 15 122.156 0.2 . 1 . . . A 755 LYS N . 17632 1 999 . 1 1 96 96 SER H H 1 8.565 0.02 . 1 . . . A 756 SER H . 17632 1 1000 . 1 1 96 96 SER HA H 1 4.272 0.02 . 1 . . . A 756 SER HA . 17632 1 1001 . 1 1 96 96 SER HB2 H 1 3.946 0.02 . 1 . . . A 756 SER HB2 . 17632 1 1002 . 1 1 96 96 SER HB3 H 1 3.946 0.02 . 1 . . . A 756 SER HB3 . 17632 1 1003 . 1 1 96 96 SER CA C 13 58.662 0.3 . 1 . . . A 756 SER CA . 17632 1 1004 . 1 1 96 96 SER CB C 13 63.092 0.3 . 1 . . . A 756 SER CB . 17632 1 1005 . 1 1 96 96 SER N N 15 112.975 0.2 . 1 . . . A 756 SER N . 17632 1 1006 . 1 1 97 97 LEU H H 1 7.736 0.02 . 1 . . . A 757 LEU H . 17632 1 1007 . 1 1 97 97 LEU HA H 1 3.848 0.02 . 1 . . . A 757 LEU HA . 17632 1 1008 . 1 1 97 97 LEU HB2 H 1 1.236 0.02 . 2 . . . A 757 LEU HB2 . 17632 1 1009 . 1 1 97 97 LEU HB3 H 1 1.199 0.02 . 2 . . . A 757 LEU HB3 . 17632 1 1010 . 1 1 97 97 LEU HG H 1 1.202 0.02 . 1 . . . A 757 LEU HG . 17632 1 1011 . 1 1 97 97 LEU HD11 H 1 0.231 0.02 . 2 . . . A 757 LEU HD11 . 17632 1 1012 . 1 1 97 97 LEU HD12 H 1 0.231 0.02 . 2 . . . A 757 LEU HD12 . 17632 1 1013 . 1 1 97 97 LEU HD13 H 1 0.231 0.02 . 2 . . . A 757 LEU HD13 . 17632 1 1014 . 1 1 97 97 LEU HD21 H 1 0.165 0.02 . 2 . . . A 757 LEU HD21 . 17632 1 1015 . 1 1 97 97 LEU HD22 H 1 0.165 0.02 . 2 . . . A 757 LEU HD22 . 17632 1 1016 . 1 1 97 97 LEU HD23 H 1 0.165 0.02 . 2 . . . A 757 LEU HD23 . 17632 1 1017 . 1 1 97 97 LEU CA C 13 52.797 0.3 . 1 . . . A 757 LEU CA . 17632 1 1018 . 1 1 97 97 LEU CB C 13 41.793 0.3 . 1 . . . A 757 LEU CB . 17632 1 1019 . 1 1 97 97 LEU CG C 13 26.671 0.3 . 1 . . . A 757 LEU CG . 17632 1 1020 . 1 1 97 97 LEU CD1 C 13 25.489 0.3 . 2 . . . A 757 LEU CD1 . 17632 1 1021 . 1 1 97 97 LEU CD2 C 13 25.186 0.3 . 2 . . . A 757 LEU CD2 . 17632 1 1022 . 1 1 97 97 LEU N N 15 125.232 0.2 . 1 . . . A 757 LEU N . 17632 1 1023 . 1 1 98 98 ASP H H 1 6.615 0.02 . 1 . . . A 758 ASP H . 17632 1 1024 . 1 1 98 98 ASP HA H 1 4.503 0.02 . 1 . . . A 758 ASP HA . 17632 1 1025 . 1 1 98 98 ASP HB2 H 1 2.964 0.02 . 2 . . . A 758 ASP HB2 . 17632 1 1026 . 1 1 98 98 ASP HB3 H 1 2.239 0.02 . 2 . . . A 758 ASP HB3 . 17632 1 1027 . 1 1 98 98 ASP CA C 13 51.856 0.3 . 1 . . . A 758 ASP CA . 17632 1 1028 . 1 1 98 98 ASP CB C 13 38.702 0.3 . 1 . . . A 758 ASP CB . 17632 1 1029 . 1 1 98 98 ASP N N 15 119.760 0.2 . 1 . . . A 758 ASP N . 17632 1 1030 . 1 1 99 99 THR H H 1 7.515 0.02 . 1 . . . A 759 THR H . 17632 1 1031 . 1 1 99 99 THR HA H 1 4.633 0.02 . 1 . . . A 759 THR HA . 17632 1 1032 . 1 1 99 99 THR HB H 1 3.881 0.02 . 1 . . . A 759 THR HB . 17632 1 1033 . 1 1 99 99 THR HG21 H 1 0.457 0.02 . 1 . . . A 759 THR HG21 . 17632 1 1034 . 1 1 99 99 THR HG22 H 1 0.457 0.02 . 1 . . . A 759 THR HG22 . 17632 1 1035 . 1 1 99 99 THR HG23 H 1 0.457 0.02 . 1 . . . A 759 THR HG23 . 17632 1 1036 . 1 1 99 99 THR CA C 13 59.992 0.3 . 1 . . . A 759 THR CA . 17632 1 1037 . 1 1 99 99 THR CB C 13 68.840 0.3 . 1 . . . A 759 THR CB . 17632 1 1038 . 1 1 99 99 THR CG2 C 13 19.290 0.3 . 1 . . . A 759 THR CG2 . 17632 1 1039 . 1 1 99 99 THR N N 15 115.685 0.2 . 1 . . . A 759 THR N . 17632 1 1040 . 1 1 100 100 THR H H 1 7.451 0.02 . 1 . . . A 760 THR H . 17632 1 1041 . 1 1 100 100 THR HA H 1 4.532 0.02 . 1 . . . A 760 THR HA . 17632 1 1042 . 1 1 100 100 THR HB H 1 3.990 0.02 . 1 . . . A 760 THR HB . 17632 1 1043 . 1 1 100 100 THR HG21 H 1 0.654 0.02 . 1 . . . A 760 THR HG21 . 17632 1 1044 . 1 1 100 100 THR HG22 H 1 0.654 0.02 . 1 . . . A 760 THR HG22 . 17632 1 1045 . 1 1 100 100 THR HG23 H 1 0.654 0.02 . 1 . . . A 760 THR HG23 . 17632 1 1046 . 1 1 100 100 THR CA C 13 60.634 0.3 . 1 . . . A 760 THR CA . 17632 1 1047 . 1 1 100 100 THR CB C 13 70.910 0.3 . 1 . . . A 760 THR CB . 17632 1 1048 . 1 1 100 100 THR CG2 C 13 21.441 0.3 . 1 . . . A 760 THR CG2 . 17632 1 1049 . 1 1 100 100 THR N N 15 113.852 0.2 . 1 . . . A 760 THR N . 17632 1 1050 . 1 1 101 101 LEU H H 1 8.214 0.02 . 1 . . . A 761 LEU H . 17632 1 1051 . 1 1 101 101 LEU HA H 1 3.494 0.02 . 1 . . . A 761 LEU HA . 17632 1 1052 . 1 1 101 101 LEU HB2 H 1 0.711 0.02 . 1 . . . A 761 LEU HB2 . 17632 1 1053 . 1 1 101 101 LEU HB3 H 1 0.711 0.02 . 1 . . . A 761 LEU HB3 . 17632 1 1054 . 1 1 101 101 LEU HG H 1 0.239 0.02 . 1 . . . A 761 LEU HG . 17632 1 1055 . 1 1 101 101 LEU HD11 H 1 1.025 0.02 . 2 . . . A 761 LEU HD11 . 17632 1 1056 . 1 1 101 101 LEU HD12 H 1 1.025 0.02 . 2 . . . A 761 LEU HD12 . 17632 1 1057 . 1 1 101 101 LEU HD13 H 1 1.025 0.02 . 2 . . . A 761 LEU HD13 . 17632 1 1058 . 1 1 101 101 LEU HD21 H 1 0.062 0.02 . 2 . . . A 761 LEU HD21 . 17632 1 1059 . 1 1 101 101 LEU HD22 H 1 0.062 0.02 . 2 . . . A 761 LEU HD22 . 17632 1 1060 . 1 1 101 101 LEU HD23 H 1 0.062 0.02 . 2 . . . A 761 LEU HD23 . 17632 1 1061 . 1 1 101 101 LEU CA C 13 53.648 0.3 . 1 . . . A 761 LEU CA . 17632 1 1062 . 1 1 101 101 LEU CB C 13 36.222 0.3 . 1 . . . A 761 LEU CB . 17632 1 1063 . 1 1 101 101 LEU CG C 13 26.091 0.3 . 1 . . . A 761 LEU CG . 17632 1 1064 . 1 1 101 101 LEU CD1 C 13 24.852 0.3 . 2 . . . A 761 LEU CD1 . 17632 1 1065 . 1 1 101 101 LEU CD2 C 13 23.053 0.3 . 2 . . . A 761 LEU CD2 . 17632 1 1066 . 1 1 101 101 LEU N N 15 117.925 0.2 . 1 . . . A 761 LEU N . 17632 1 1067 . 1 1 102 102 GLN H H 1 7.026 0.02 . 1 . . . A 762 GLN H . 17632 1 1068 . 1 1 102 102 GLN HA H 1 3.869 0.02 . 1 . . . A 762 GLN HA . 17632 1 1069 . 1 1 102 102 GLN HB2 H 1 1.417 0.02 . 2 . . . A 762 GLN HB2 . 17632 1 1070 . 1 1 102 102 GLN HB3 H 1 0.945 0.02 . 2 . . . A 762 GLN HB3 . 17632 1 1071 . 1 1 102 102 GLN HG2 H 1 1.768 0.02 . 2 . . . A 762 GLN HG2 . 17632 1 1072 . 1 1 102 102 GLN HG3 H 1 1.226 0.02 . 2 . . . A 762 GLN HG3 . 17632 1 1073 . 1 1 102 102 GLN CA C 13 59.810 0.3 . 1 . . . A 762 GLN CA . 17632 1 1074 . 1 1 102 102 GLN CB C 13 30.732 0.3 . 1 . . . A 762 GLN CB . 17632 1 1075 . 1 1 102 102 GLN CG C 13 33.903 0.3 . 1 . . . A 762 GLN CG . 17632 1 1076 . 1 1 102 102 GLN N N 15 125.675 0.2 . 1 . . . A 762 GLN N . 17632 1 1077 . 1 1 103 103 PHE H H 1 7.885 0.02 . 1 . . . A 763 PHE H . 17632 1 1078 . 1 1 103 103 PHE HA H 1 5.504 0.02 . 1 . . . A 763 PHE HA . 17632 1 1079 . 1 1 103 103 PHE HB2 H 1 3.196 0.02 . 2 . . . A 763 PHE HB2 . 17632 1 1080 . 1 1 103 103 PHE HB3 H 1 2.936 0.02 . 2 . . . A 763 PHE HB3 . 17632 1 1081 . 1 1 103 103 PHE HD1 H 1 7.219 0.02 . 3 . . . A 763 PHE HD1 . 17632 1 1082 . 1 1 103 103 PHE HD2 H 1 7.219 0.02 . 3 . . . A 763 PHE HD2 . 17632 1 1083 . 1 1 103 103 PHE HE1 H 1 7.393 0.02 . 3 . . . A 763 PHE HE1 . 17632 1 1084 . 1 1 103 103 PHE HE2 H 1 7.393 0.02 . 3 . . . A 763 PHE HE2 . 17632 1 1085 . 1 1 103 103 PHE CA C 13 53.051 0.3 . 1 . . . A 763 PHE CA . 17632 1 1086 . 1 1 103 103 PHE CB C 13 40.946 0.3 . 1 . . . A 763 PHE CB . 17632 1 1087 . 1 1 103 103 PHE CD1 C 13 132.111 0.3 . 3 . . . A 763 PHE CD1 . 17632 1 1088 . 1 1 103 103 PHE CD2 C 13 132.111 0.3 . 3 . . . A 763 PHE CD2 . 17632 1 1089 . 1 1 103 103 PHE CE1 C 13 131.596 0.3 . 3 . . . A 763 PHE CE1 . 17632 1 1090 . 1 1 103 103 PHE CE2 C 13 131.596 0.3 . 3 . . . A 763 PHE CE2 . 17632 1 1091 . 1 1 103 103 PHE N N 15 115.428 0.2 . 1 . . . A 763 PHE N . 17632 1 1092 . 1 1 104 104 PRO HA H 1 3.581 0.02 . 1 . . . A 764 PRO HA . 17632 1 1093 . 1 1 104 104 PRO HB2 H 1 1.827 0.02 . 1 . . . A 764 PRO HB2 . 17632 1 1094 . 1 1 104 104 PRO HB3 H 1 1.827 0.02 . 1 . . . A 764 PRO HB3 . 17632 1 1095 . 1 1 104 104 PRO HG2 H 1 2.418 0.02 . 2 . . . A 764 PRO HG2 . 17632 1 1096 . 1 1 104 104 PRO HG3 H 1 2.021 0.02 . 2 . . . A 764 PRO HG3 . 17632 1 1097 . 1 1 104 104 PRO HD2 H 1 4.098 0.02 . 2 . . . A 764 PRO HD2 . 17632 1 1098 . 1 1 104 104 PRO HD3 H 1 4.056 0.02 . 2 . . . A 764 PRO HD3 . 17632 1 1099 . 1 1 104 104 PRO CA C 13 62.681 0.3 . 1 . . . A 764 PRO CA . 17632 1 1100 . 1 1 104 104 PRO CB C 13 32.501 0.3 . 1 . . . A 764 PRO CB . 17632 1 1101 . 1 1 104 104 PRO CG C 13 27.925 0.3 . 1 . . . A 764 PRO CG . 17632 1 1102 . 1 1 104 104 PRO CD C 13 50.968 0.3 . 1 . . . A 764 PRO CD . 17632 1 1103 . 1 1 105 105 PHE H H 1 8.247 0.02 . 1 . . . A 765 PHE H . 17632 1 1104 . 1 1 105 105 PHE HA H 1 4.101 0.02 . 1 . . . A 765 PHE HA . 17632 1 1105 . 1 1 105 105 PHE HB2 H 1 2.981 0.02 . 2 . . . A 765 PHE HB2 . 17632 1 1106 . 1 1 105 105 PHE HB3 H 1 2.733 0.02 . 2 . . . A 765 PHE HB3 . 17632 1 1107 . 1 1 105 105 PHE HD1 H 1 7.155 0.02 . 3 . . . A 765 PHE HD1 . 17632 1 1108 . 1 1 105 105 PHE HD2 H 1 7.155 0.02 . 3 . . . A 765 PHE HD2 . 17632 1 1109 . 1 1 105 105 PHE HE1 H 1 7.019 0.02 . 3 . . . A 765 PHE HE1 . 17632 1 1110 . 1 1 105 105 PHE HE2 H 1 7.019 0.02 . 3 . . . A 765 PHE HE2 . 17632 1 1111 . 1 1 105 105 PHE CA C 13 60.555 0.3 . 1 . . . A 765 PHE CA . 17632 1 1112 . 1 1 105 105 PHE CB C 13 38.242 0.3 . 1 . . . A 765 PHE CB . 17632 1 1113 . 1 1 105 105 PHE CD1 C 13 132.964 0.3 . 3 . . . A 765 PHE CD1 . 17632 1 1114 . 1 1 105 105 PHE CD2 C 13 132.964 0.3 . 3 . . . A 765 PHE CD2 . 17632 1 1115 . 1 1 105 105 PHE CE1 C 13 131.494 0.3 . 3 . . . A 765 PHE CE1 . 17632 1 1116 . 1 1 105 105 PHE CE2 C 13 131.494 0.3 . 3 . . . A 765 PHE CE2 . 17632 1 1117 . 1 1 105 105 PHE N N 15 120.690 0.2 . 1 . . . A 765 PHE N . 17632 1 1118 . 1 1 106 106 LYS H H 1 6.769 0.02 . 1 . . . A 766 LYS H . 17632 1 1119 . 1 1 106 106 LYS HA H 1 3.911 0.02 . 1 . . . A 766 LYS HA . 17632 1 1120 . 1 1 106 106 LYS HB2 H 1 1.502 0.02 . 2 . . . A 766 LYS HB2 . 17632 1 1121 . 1 1 106 106 LYS HB3 H 1 1.366 0.02 . 2 . . . A 766 LYS HB3 . 17632 1 1122 . 1 1 106 106 LYS HG2 H 1 0.492 0.02 . 2 . . . A 766 LYS HG2 . 17632 1 1123 . 1 1 106 106 LYS HG3 H 1 -0.150 0.02 . 2 . . . A 766 LYS HG3 . 17632 1 1124 . 1 1 106 106 LYS HD2 H 1 1.300 0.02 . 1 . . . A 766 LYS HD2 . 17632 1 1125 . 1 1 106 106 LYS HD3 H 1 1.300 0.02 . 1 . . . A 766 LYS HD3 . 17632 1 1126 . 1 1 106 106 LYS HE2 H 1 2.686 0.02 . 1 . . . A 766 LYS HE2 . 17632 1 1127 . 1 1 106 106 LYS HE3 H 1 2.686 0.02 . 1 . . . A 766 LYS HE3 . 17632 1 1128 . 1 1 106 106 LYS CA C 13 56.842 0.3 . 1 . . . A 766 LYS CA . 17632 1 1129 . 1 1 106 106 LYS CB C 13 32.726 0.3 . 1 . . . A 766 LYS CB . 17632 1 1130 . 1 1 106 106 LYS CG C 13 24.541 0.3 . 1 . . . A 766 LYS CG . 17632 1 1131 . 1 1 106 106 LYS CD C 13 29.275 0.3 . 1 . . . A 766 LYS CD . 17632 1 1132 . 1 1 106 106 LYS CE C 13 41.987 0.3 . 1 . . . A 766 LYS CE . 17632 1 1133 . 1 1 106 106 LYS N N 15 119.431 0.2 . 1 . . . A 766 LYS N . 17632 1 1134 . 1 1 107 107 GLU H H 1 7.371 0.02 . 1 . . . A 767 GLU H . 17632 1 1135 . 1 1 107 107 GLU HA H 1 3.972 0.02 . 1 . . . A 767 GLU HA . 17632 1 1136 . 1 1 107 107 GLU HB2 H 1 1.985 0.02 . 2 . . . A 767 GLU HB2 . 17632 1 1137 . 1 1 107 107 GLU HB3 H 1 1.807 0.02 . 2 . . . A 767 GLU HB3 . 17632 1 1138 . 1 1 107 107 GLU HG2 H 1 2.197 0.02 . 2 . . . A 767 GLU HG2 . 17632 1 1139 . 1 1 107 107 GLU HG3 H 1 2.107 0.02 . 2 . . . A 767 GLU HG3 . 17632 1 1140 . 1 1 107 107 GLU CA C 13 58.356 0.3 . 1 . . . A 767 GLU CA . 17632 1 1141 . 1 1 107 107 GLU CB C 13 31.503 0.3 . 1 . . . A 767 GLU CB . 17632 1 1142 . 1 1 107 107 GLU CG C 13 37.192 0.3 . 1 . . . A 767 GLU CG . 17632 1 1143 . 1 1 107 107 GLU N N 15 124.435 0.2 . 1 . . . A 767 GLU N . 17632 1 1144 . 2 2 1 1 ASP HA H 1 4.594 0.02 . 1 . . . B 338 ASP HA . 17632 1 1145 . 2 2 1 1 ASP HB2 H 1 2.639 0.02 . 2 . . . B 338 ASP HB2 . 17632 1 1146 . 2 2 1 1 ASP HB3 H 1 2.605 0.02 . 2 . . . B 338 ASP HB3 . 17632 1 1147 . 2 2 1 1 ASP H H 1 8.388 0.02 . 1 . . . B 338 ASP H1 . 17632 1 1148 . 2 2 2 2 THR H H 1 8.061 0.02 . 1 . . . B 339 THR H . 17632 1 1149 . 2 2 2 2 THR HA H 1 4.265 0.02 . 1 . . . B 339 THR HA . 17632 1 1150 . 2 2 2 2 THR HB H 1 4.169 0.02 . 1 . . . B 339 THR HB . 17632 1 1151 . 2 2 2 2 THR HG21 H 1 1.123 0.02 . 1 . . . B 339 THR HG21 . 17632 1 1152 . 2 2 2 2 THR HG22 H 1 1.123 0.02 . 1 . . . B 339 THR HG22 . 17632 1 1153 . 2 2 2 2 THR HG23 H 1 1.123 0.02 . 1 . . . B 339 THR HG23 . 17632 1 1154 . 2 2 3 3 GLU H H 1 8.366 0.02 . 1 . . . B 340 GLU H . 17632 1 1155 . 2 2 3 3 GLU HA H 1 4.247 0.02 . 1 . . . B 340 GLU HA . 17632 1 1156 . 2 2 3 3 GLU HB2 H 1 1.959 0.02 . 2 . . . B 340 GLU HB2 . 17632 1 1157 . 2 2 3 3 GLU HB3 H 1 1.871 0.02 . 2 . . . B 340 GLU HB3 . 17632 1 1158 . 2 2 3 3 GLU HG2 H 1 2.200 0.02 . 2 . . . B 340 GLU HG2 . 17632 1 1159 . 2 2 3 3 GLU HG3 H 1 2.152 0.02 . 2 . . . B 340 GLU HG3 . 17632 1 1160 . 2 2 4 4 VAL H H 1 7.940 0.02 . 1 . . . B 341 VAL H . 17632 1 1161 . 2 2 4 4 VAL HA H 1 3.977 0.02 . 1 . . . B 341 VAL HA . 17632 1 1162 . 2 2 4 4 VAL HB H 1 1.897 0.02 . 1 . . . B 341 VAL HB . 17632 1 1163 . 2 2 4 4 VAL HG11 H 1 0.778 0.02 . 1 . . . B 341 VAL HG11 . 17632 1 1164 . 2 2 4 4 VAL HG12 H 1 0.778 0.02 . 1 . . . B 341 VAL HG12 . 17632 1 1165 . 2 2 4 4 VAL HG13 H 1 0.778 0.02 . 1 . . . B 341 VAL HG13 . 17632 1 1166 . 2 2 4 4 VAL HG21 H 1 0.778 0.02 . 1 . . . B 341 VAL HG21 . 17632 1 1167 . 2 2 4 4 VAL HG22 H 1 0.778 0.02 . 1 . . . B 341 VAL HG22 . 17632 1 1168 . 2 2 4 4 VAL HG23 H 1 0.778 0.02 . 1 . . . B 341 VAL HG23 . 17632 1 1169 . 2 2 5 5 PTR H H 1 7.683 0.02 . 1 . . . B 342 PTR H . 17632 1 1170 . 2 2 5 5 PTR HA H 1 4.347 0.02 . 1 . . . B 342 PTR HA . 17632 1 1171 . 2 2 5 5 PTR HB2 H 1 3.018 0.02 . 2 . . . B 342 PTR HB2 . 17632 1 1172 . 2 2 5 5 PTR HB3 H 1 2.765 0.02 . 2 . . . B 342 PTR HB3 . 17632 1 1173 . 2 2 5 5 PTR HD1 H 1 7.056 0.02 . 3 . . . B 342 PTR HD1 . 17632 1 1174 . 2 2 5 5 PTR HD2 H 1 7.056 0.02 . 3 . . . B 342 PTR HD2 . 17632 1 1175 . 2 2 5 5 PTR HE1 H 1 6.889 0.02 . 3 . . . B 342 PTR HE1 . 17632 1 1176 . 2 2 5 5 PTR HE2 H 1 6.889 0.02 . 3 . . . B 342 PTR HE2 . 17632 1 1177 . 2 2 6 6 GLU H H 1 8.482 0.02 . 1 . . . B 343 GLU H . 17632 1 1178 . 2 2 6 6 GLU HA H 1 4.155 0.02 . 1 . . . B 343 GLU HA . 17632 1 1179 . 2 2 6 6 GLU HB2 H 1 1.988 0.02 . 2 . . . B 343 GLU HB2 . 17632 1 1180 . 2 2 6 6 GLU HB3 H 1 1.887 0.02 . 2 . . . B 343 GLU HB3 . 17632 1 1181 . 2 2 6 6 GLU HG2 H 1 2.224 0.02 . 1 . . . B 343 GLU HG2 . 17632 1 1182 . 2 2 6 6 GLU HG3 H 1 2.224 0.02 . 1 . . . B 343 GLU HG3 . 17632 1 1183 . 2 2 7 7 SER H H 1 8.358 0.02 . 1 . . . B 344 SER H . 17632 1 1184 . 2 2 7 7 SER HA H 1 4.156 0.02 . 1 . . . B 344 SER HA . 17632 1 1185 . 2 2 7 7 SER HB2 H 1 3.770 0.02 . 1 . . . B 344 SER HB2 . 17632 1 1186 . 2 2 7 7 SER HB3 H 1 3.770 0.02 . 1 . . . B 344 SER HB3 . 17632 1 1187 . 2 2 8 8 PRO HA H 1 4.336 0.02 . 1 . . . B 345 PRO HA . 17632 1 1188 . 2 2 8 8 PRO HB2 H 1 1.978 0.02 . 1 . . . B 345 PRO HB2 . 17632 1 1189 . 2 2 8 8 PRO HB3 H 1 1.978 0.02 . 1 . . . B 345 PRO HB3 . 17632 1 1190 . 2 2 8 8 PRO HG2 H 1 2.252 0.02 . 2 . . . B 345 PRO HG2 . 17632 1 1191 . 2 2 8 8 PRO HG3 H 1 1.906 0.02 . 2 . . . B 345 PRO HG3 . 17632 1 1192 . 2 2 8 8 PRO HD2 H 1 3.613 0.02 . 1 . . . B 345 PRO HD2 . 17632 1 1193 . 2 2 8 8 PRO HD3 H 1 3.613 0.02 . 1 . . . B 345 PRO HD3 . 17632 1 1194 . 2 2 9 9 PTR H H 1 7.370 0.02 . 1 . . . B 346 PTR H . 17632 1 1195 . 2 2 9 9 PTR HA H 1 4.319 0.02 . 1 . . . B 346 PTR HA . 17632 1 1196 . 2 2 9 9 PTR HB2 H 1 3.015 0.02 . 2 . . . B 346 PTR HB2 . 17632 1 1197 . 2 2 9 9 PTR HB3 H 1 2.826 0.02 . 2 . . . B 346 PTR HB3 . 17632 1 1198 . 2 2 9 9 PTR HD1 H 1 7.033 0.02 . 3 . . . B 346 PTR HD1 . 17632 1 1199 . 2 2 9 9 PTR HD2 H 1 7.033 0.02 . 3 . . . B 346 PTR HD2 . 17632 1 1200 . 2 2 9 9 PTR HE1 H 1 6.591 0.02 . 3 . . . B 346 PTR HE1 . 17632 1 1201 . 2 2 9 9 PTR HE2 H 1 6.591 0.02 . 3 . . . B 346 PTR HE2 . 17632 1 1202 . 2 2 10 10 ALA H H 1 7.870 0.02 . 1 . . . B 347 ALA H . 17632 1 1203 . 2 2 10 10 ALA HA H 1 4.023 0.02 . 1 . . . B 347 ALA HA . 17632 1 1204 . 2 2 10 10 ALA HB1 H 1 1.260 0.02 . 1 . . . B 347 ALA HB1 . 17632 1 1205 . 2 2 10 10 ALA HB2 H 1 1.260 0.02 . 1 . . . B 347 ALA HB2 . 17632 1 1206 . 2 2 10 10 ALA HB3 H 1 1.260 0.02 . 1 . . . B 347 ALA HB3 . 17632 1 1207 . 2 2 11 11 ASP H H 1 8.235 0.02 . 1 . . . B 348 ASP H . 17632 1 1208 . 2 2 11 11 ASP HA H 1 4.563 0.02 . 1 . . . B 348 ASP HA . 17632 1 1209 . 2 2 11 11 ASP HB2 H 1 2.651 0.02 . 2 . . . B 348 ASP HB2 . 17632 1 1210 . 2 2 11 11 ASP HB3 H 1 2.523 0.02 . 2 . . . B 348 ASP HB3 . 17632 1 1211 . 2 2 12 12 PRO HA H 1 4.413 0.02 . 1 . . . B 349 PRO HA . 17632 1 1212 . 2 2 12 12 PRO HB2 H 1 1.991 0.02 . 2 . . . B 349 PRO HB2 . 17632 1 1213 . 2 2 12 12 PRO HB3 H 1 1.945 0.02 . 2 . . . B 349 PRO HB3 . 17632 1 1214 . 2 2 12 12 PRO HG2 H 1 2.278 0.02 . 2 . . . B 349 PRO HG2 . 17632 1 1215 . 2 2 12 12 PRO HG3 H 1 1.870 0.02 . 2 . . . B 349 PRO HG3 . 17632 1 1216 . 2 2 13 13 GLU H H 1 8.278 0.02 . 1 . . . B 350 GLU H . 17632 1 1217 . 2 2 13 13 GLU HA H 1 4.216 0.02 . 1 . . . B 350 GLU HA . 17632 1 1218 . 2 2 13 13 GLU HB2 H 1 1.831 0.02 . 1 . . . B 350 GLU HB2 . 17632 1 1219 . 2 2 13 13 GLU HB3 H 1 1.831 0.02 . 1 . . . B 350 GLU HB3 . 17632 1 1220 . 2 2 13 13 GLU HG2 H 1 2.161 0.02 . 2 . . . B 350 GLU HG2 . 17632 1 1221 . 2 2 13 13 GLU HG3 H 1 2.112 0.02 . 2 . . . B 350 GLU HG3 . 17632 1 stop_ save_