data_25599 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25599 _Entry.Title ; Solution structure of Sds3 in complex with Sin3A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-08 _Entry.Accession_date 2015-05-08 _Entry.Last_release_date 2015-07-13 _Entry.Original_release_date 2015-07-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Michael Clark . . . . 25599 2 Ishwar Radhakrishnan . . . . 25599 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' . 25599 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'corepressor complex' . 25599 'histone deacetylase complex' . 25599 'protein-protein complex' . 25599 'transcription repression' . 25599 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25599 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 631 25599 '15N chemical shifts' 154 25599 '1H chemical shifts' 1005 25599 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 . . 2016-08-24 2015-05-08 update BMRB 'update entry citation' 25599 1 . . 2015-07-13 2015-05-08 original author 'original release' 25599 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N2H 'BMRB Entry Tracking System' 25599 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25599 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26124119 _Citation.Full_citation . _Citation.Title ; Structural Insights into the Assembly of the Histone Deacetylase-Associated Sin3L/Rpd3L Corepressor Complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 112 _Citation.Journal_issue 28 _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 E3669 _Citation.Page_last E3678 _Citation.Year 2015 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michael Clark . . . . 25599 1 2 Ryan Marcum . . . . 25599 1 3 Richard Graveline . . . . 25599 1 4 Clarence Chan . W. . . 25599 1 5 Tao Xie . . . . 25599 1 6 Zhonglei Chen . . . . 25599 1 7 Yujia Ding . . . . 25599 1 8 Yongbo Zhang . . . . 25599 1 9 Alfonso Mondragon . . . . 25599 1 10 Gregory David . . . . 25599 1 11 Ishwar Radhakrishnan . . . . 25599 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25599 _Assembly.ID 1 _Assembly.Name 'Sds3 in complex with Sin3A' _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 Sds3SID 1 $Sds3SID A . yes native no no . . . 25599 1 2 Sin3HID 2 $Sin3HID B . yes native no no . . . 25599 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sds3SID _Entity.Sf_category entity _Entity.Sf_framecode Sds3SID _Entity.Entry_ID 25599 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sds3SID _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 ; SNAAQLNYLLTDEQIMEDLR TLNKLKS ; _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 27 _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 3125.556 _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 1 202 SER . 25599 1 2 203 ASN . 25599 1 3 204 ALA . 25599 1 4 205 ALA . 25599 1 5 206 GLN . 25599 1 6 207 LEU . 25599 1 7 208 ASN . 25599 1 8 209 TYR . 25599 1 9 210 LEU . 25599 1 10 211 LEU . 25599 1 11 212 THR . 25599 1 12 213 ASP . 25599 1 13 214 GLU . 25599 1 14 215 GLN . 25599 1 15 216 ILE . 25599 1 16 217 MET . 25599 1 17 218 GLU . 25599 1 18 219 ASP . 25599 1 19 220 LEU . 25599 1 20 221 ARG . 25599 1 21 222 THR . 25599 1 22 223 LEU . 25599 1 23 224 ASN . 25599 1 24 225 LYS . 25599 1 25 226 LEU . 25599 1 26 227 LYS . 25599 1 27 228 SER . 25599 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 25599 1 . ASN 2 2 25599 1 . ALA 3 3 25599 1 . ALA 4 4 25599 1 . GLN 5 5 25599 1 . LEU 6 6 25599 1 . ASN 7 7 25599 1 . TYR 8 8 25599 1 . LEU 9 9 25599 1 . LEU 10 10 25599 1 . THR 11 11 25599 1 . ASP 12 12 25599 1 . GLU 13 13 25599 1 . GLN 14 14 25599 1 . ILE 15 15 25599 1 . MET 16 16 25599 1 . GLU 17 17 25599 1 . ASP 18 18 25599 1 . LEU 19 19 25599 1 . ARG 20 20 25599 1 . THR 21 21 25599 1 . LEU 22 22 25599 1 . ASN 23 23 25599 1 . LYS 24 24 25599 1 . LEU 25 25 25599 1 . LYS 26 26 25599 1 . SER 27 27 25599 1 stop_ save_ save_Sin3HID _Entity.Sf_category entity _Entity.Sf_framecode Sin3HID _Entity.Entry_ID 25599 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Sin3HID _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 ; SNAEHIYRCEDERFELDVVL ETNLATIRVLEAIQKKLSRL SAEEQAKFRLDNTLGGTSEV IHRKALQRIYADKAADIIDG LRKNPSIAVPIVLKRLKMKE EEWREAQRGFNKVWREQNEK YYLKS ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14698.959 _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 1 605 SER . 25599 2 2 606 ASN . 25599 2 3 607 ALA . 25599 2 4 608 GLU . 25599 2 5 609 HIS . 25599 2 6 610 ILE . 25599 2 7 611 TYR . 25599 2 8 612 ARG . 25599 2 9 613 CYS . 25599 2 10 614 GLU . 25599 2 11 615 ASP . 25599 2 12 616 GLU . 25599 2 13 617 ARG . 25599 2 14 618 PHE . 25599 2 15 619 GLU . 25599 2 16 620 LEU . 25599 2 17 621 ASP . 25599 2 18 622 VAL . 25599 2 19 623 VAL . 25599 2 20 624 LEU . 25599 2 21 625 GLU . 25599 2 22 626 THR . 25599 2 23 627 ASN . 25599 2 24 628 LEU . 25599 2 25 629 ALA . 25599 2 26 630 THR . 25599 2 27 631 ILE . 25599 2 28 632 ARG . 25599 2 29 633 VAL . 25599 2 30 634 LEU . 25599 2 31 635 GLU . 25599 2 32 636 ALA . 25599 2 33 637 ILE . 25599 2 34 638 GLN . 25599 2 35 639 LYS . 25599 2 36 640 LYS . 25599 2 37 641 LEU . 25599 2 38 642 SER . 25599 2 39 643 ARG . 25599 2 40 644 LEU . 25599 2 41 645 SER . 25599 2 42 646 ALA . 25599 2 43 647 GLU . 25599 2 44 648 GLU . 25599 2 45 649 GLN . 25599 2 46 650 ALA . 25599 2 47 651 LYS . 25599 2 48 652 PHE . 25599 2 49 653 ARG . 25599 2 50 654 LEU . 25599 2 51 655 ASP . 25599 2 52 656 ASN . 25599 2 53 657 THR . 25599 2 54 658 LEU . 25599 2 55 659 GLY . 25599 2 56 660 GLY . 25599 2 57 661 THR . 25599 2 58 662 SER . 25599 2 59 663 GLU . 25599 2 60 664 VAL . 25599 2 61 665 ILE . 25599 2 62 666 HIS . 25599 2 63 667 ARG . 25599 2 64 668 LYS . 25599 2 65 669 ALA . 25599 2 66 670 LEU . 25599 2 67 671 GLN . 25599 2 68 672 ARG . 25599 2 69 673 ILE . 25599 2 70 674 TYR . 25599 2 71 675 ALA . 25599 2 72 676 ASP . 25599 2 73 677 LYS . 25599 2 74 678 ALA . 25599 2 75 679 ALA . 25599 2 76 680 ASP . 25599 2 77 681 ILE . 25599 2 78 682 ILE . 25599 2 79 683 ASP . 25599 2 80 684 GLY . 25599 2 81 685 LEU . 25599 2 82 686 ARG . 25599 2 83 687 LYS . 25599 2 84 688 ASN . 25599 2 85 689 PRO . 25599 2 86 690 SER . 25599 2 87 691 ILE . 25599 2 88 692 ALA . 25599 2 89 693 VAL . 25599 2 90 694 PRO . 25599 2 91 695 ILE . 25599 2 92 696 VAL . 25599 2 93 697 LEU . 25599 2 94 698 LYS . 25599 2 95 699 ARG . 25599 2 96 700 LEU . 25599 2 97 701 LYS . 25599 2 98 702 MET . 25599 2 99 703 LYS . 25599 2 100 704 GLU . 25599 2 101 705 GLU . 25599 2 102 706 GLU . 25599 2 103 707 TRP . 25599 2 104 708 ARG . 25599 2 105 709 GLU . 25599 2 106 710 ALA . 25599 2 107 711 GLN . 25599 2 108 712 ARG . 25599 2 109 713 GLY . 25599 2 110 714 PHE . 25599 2 111 715 ASN . 25599 2 112 716 LYS . 25599 2 113 717 VAL . 25599 2 114 718 TRP . 25599 2 115 719 ARG . 25599 2 116 720 GLU . 25599 2 117 721 GLN . 25599 2 118 722 ASN . 25599 2 119 723 GLU . 25599 2 120 724 LYS . 25599 2 121 725 TYR . 25599 2 122 726 TYR . 25599 2 123 727 LEU . 25599 2 124 728 LYS . 25599 2 125 729 SER . 25599 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 . SER 1 1 25599 2 . ASN 2 2 25599 2 . ALA 3 3 25599 2 . GLU 4 4 25599 2 . HIS 5 5 25599 2 . ILE 6 6 25599 2 . TYR 7 7 25599 2 . ARG 8 8 25599 2 . CYS 9 9 25599 2 . GLU 10 10 25599 2 . ASP 11 11 25599 2 . GLU 12 12 25599 2 . ARG 13 13 25599 2 . PHE 14 14 25599 2 . GLU 15 15 25599 2 . LEU 16 16 25599 2 . ASP 17 17 25599 2 . VAL 18 18 25599 2 . VAL 19 19 25599 2 . LEU 20 20 25599 2 . GLU 21 21 25599 2 . THR 22 22 25599 2 . ASN 23 23 25599 2 . LEU 24 24 25599 2 . ALA 25 25 25599 2 . THR 26 26 25599 2 . ILE 27 27 25599 2 . ARG 28 28 25599 2 . VAL 29 29 25599 2 . LEU 30 30 25599 2 . GLU 31 31 25599 2 . ALA 32 32 25599 2 . ILE 33 33 25599 2 . GLN 34 34 25599 2 . LYS 35 35 25599 2 . LYS 36 36 25599 2 . LEU 37 37 25599 2 . SER 38 38 25599 2 . ARG 39 39 25599 2 . LEU 40 40 25599 2 . SER 41 41 25599 2 . ALA 42 42 25599 2 . GLU 43 43 25599 2 . GLU 44 44 25599 2 . GLN 45 45 25599 2 . ALA 46 46 25599 2 . LYS 47 47 25599 2 . PHE 48 48 25599 2 . ARG 49 49 25599 2 . LEU 50 50 25599 2 . ASP 51 51 25599 2 . ASN 52 52 25599 2 . THR 53 53 25599 2 . LEU 54 54 25599 2 . GLY 55 55 25599 2 . GLY 56 56 25599 2 . THR 57 57 25599 2 . SER 58 58 25599 2 . GLU 59 59 25599 2 . VAL 60 60 25599 2 . ILE 61 61 25599 2 . HIS 62 62 25599 2 . ARG 63 63 25599 2 . LYS 64 64 25599 2 . ALA 65 65 25599 2 . LEU 66 66 25599 2 . GLN 67 67 25599 2 . ARG 68 68 25599 2 . ILE 69 69 25599 2 . TYR 70 70 25599 2 . ALA 71 71 25599 2 . ASP 72 72 25599 2 . LYS 73 73 25599 2 . ALA 74 74 25599 2 . ALA 75 75 25599 2 . ASP 76 76 25599 2 . ILE 77 77 25599 2 . ILE 78 78 25599 2 . ASP 79 79 25599 2 . GLY 80 80 25599 2 . LEU 81 81 25599 2 . ARG 82 82 25599 2 . LYS 83 83 25599 2 . ASN 84 84 25599 2 . PRO 85 85 25599 2 . SER 86 86 25599 2 . ILE 87 87 25599 2 . ALA 88 88 25599 2 . VAL 89 89 25599 2 . PRO 90 90 25599 2 . ILE 91 91 25599 2 . VAL 92 92 25599 2 . LEU 93 93 25599 2 . LYS 94 94 25599 2 . ARG 95 95 25599 2 . LEU 96 96 25599 2 . LYS 97 97 25599 2 . MET 98 98 25599 2 . LYS 99 99 25599 2 . GLU 100 100 25599 2 . GLU 101 101 25599 2 . GLU 102 102 25599 2 . TRP 103 103 25599 2 . ARG 104 104 25599 2 . GLU 105 105 25599 2 . ALA 106 106 25599 2 . GLN 107 107 25599 2 . ARG 108 108 25599 2 . GLY 109 109 25599 2 . PHE 110 110 25599 2 . ASN 111 111 25599 2 . LYS 112 112 25599 2 . VAL 113 113 25599 2 . TRP 114 114 25599 2 . ARG 115 115 25599 2 . GLU 116 116 25599 2 . GLN 117 117 25599 2 . ASN 118 118 25599 2 . GLU 119 119 25599 2 . LYS 120 120 25599 2 . TYR 121 121 25599 2 . TYR 122 122 25599 2 . LEU 123 123 25599 2 . LYS 124 124 25599 2 . SER 125 125 25599 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 25599 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Sds3SID . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 25599 1 2 2 $Sin3HID . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 25599 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 25599 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Sds3SID . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pMCSG7 . . . 25599 1 2 2 $Sin3HID . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pMCSG21 . . . 25599 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25599 _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 Sin3HID '[U-100% 13C; U-100% 15N]' . . 2 $Sin3HID . . . 0.5 1 mM . . . . 25599 1 2 Sds3SID 'natural abundance' . . 1 $Sds3SID . . . 0.5 1 mM . . . . 25599 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25599 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25599 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25599 _Sample.ID 2 _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 Sds3SID '[U-100% 13C; U-100% 15N]' . . 1 $Sds3SID . . . 0.5 1 mM . . . . 25599 2 2 Sin3HID 'natural abundance' . . 2 $Sin3HID . . . 0.5 1 mM . . . . 25599 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25599 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25599 2 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 25599 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 . M 25599 1 pH 6.7 . pH 25599 1 pressure 1 . atm 25599 1 temperature 303 . K 25599 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25599 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 25599 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25599 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25599 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25599 _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 Agilent DD2 . 600 . . . 25599 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 25599 _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 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25599 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25599 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25599 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25599 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25599 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25599 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25599 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25599 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 25599 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25599 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25599 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25599 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 25599 _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 2 '3D 1H-13C NOESY' . . . 25599 1 5 '3D CBCA(CO)NH' . . . 25599 1 6 '3D HNCACB' . . . 25599 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 . 2 2 1 1 SER HA H 1 4.08 0.03 . 1 1 . . B 605 SER HA . 25599 1 2 . 2 2 1 1 SER HB3 H 1 3.96 0.03 . 2 1 . . B 605 SER HB3 . 25599 1 3 . 2 2 1 1 SER CA C 13 57.52 0.20 . 1 1 . . B 605 SER CA . 25599 1 4 . 2 2 1 1 SER CB C 13 63.77 0.20 . 1 1 . . B 605 SER CB . 25599 1 5 . 2 2 2 2 ASN HA H 1 4.75 0.03 . 1 1 . . B 606 ASN HA . 25599 1 6 . 2 2 2 2 ASN HB2 H 1 2.78 0.03 . 2 1 . . B 606 ASN HB2 . 25599 1 7 . 2 2 2 2 ASN HB3 H 1 2.85 0.03 . 2 1 . . B 606 ASN HB3 . 25599 1 8 . 2 2 2 2 ASN HD21 H 1 7.58 0.03 . 2 1 . . B 606 ASN HD21 . 25599 1 9 . 2 2 2 2 ASN HD22 H 1 6.92 0.03 . 2 1 . . B 606 ASN HD22 . 25599 1 10 . 2 2 2 2 ASN C C 13 174.95 0.20 . 1 1 . . B 606 ASN C . 25599 1 11 . 2 2 2 2 ASN CA C 13 53.45 0.20 . 1 1 . . B 606 ASN CA . 25599 1 12 . 2 2 2 2 ASN CB C 13 39.02 0.20 . 1 1 . . B 606 ASN CB . 25599 1 13 . 2 2 2 2 ASN ND2 N 15 112.71 0.30 . 1 1 . . B 606 ASN ND2 . 25599 1 14 . 2 2 3 3 ALA H H 1 8.33 0.03 . 1 1 . . B 607 ALA H . 25599 1 15 . 2 2 3 3 ALA HA H 1 4.27 0.03 . 1 1 . . B 607 ALA HA . 25599 1 16 . 2 2 3 3 ALA HB1 H 1 1.36 0.03 . 1 1 . . B 607 ALA HB1 . 25599 1 17 . 2 2 3 3 ALA HB2 H 1 1.36 0.03 . 1 1 . . B 607 ALA HB2 . 25599 1 18 . 2 2 3 3 ALA HB3 H 1 1.36 0.03 . 1 1 . . B 607 ALA HB3 . 25599 1 19 . 2 2 3 3 ALA C C 13 177.54 0.20 . 1 1 . . B 607 ALA C . 25599 1 20 . 2 2 3 3 ALA CA C 13 52.85 0.20 . 1 1 . . B 607 ALA CA . 25599 1 21 . 2 2 3 3 ALA CB C 13 19.20 0.20 . 1 1 . . B 607 ALA CB . 25599 1 22 . 2 2 3 3 ALA N N 15 124.02 0.30 . 1 1 . . B 607 ALA N . 25599 1 23 . 2 2 4 4 GLU H H 1 8.22 0.03 . 1 1 . . B 608 GLU H . 25599 1 24 . 2 2 4 4 GLU HA H 1 4.19 0.03 . 1 1 . . B 608 GLU HA . 25599 1 25 . 2 2 4 4 GLU HB2 H 1 1.91 0.03 . 2 1 . . B 608 GLU HB2 . 25599 1 26 . 2 2 4 4 GLU HB3 H 1 1.95 0.03 . 2 1 . . B 608 GLU HB3 . 25599 1 27 . 2 2 4 4 GLU HG2 H 1 2.21 0.03 . 2 1 . . B 608 GLU HG2 . 25599 1 28 . 2 2 4 4 GLU HG3 H 1 2.21 0.03 . 2 1 . . B 608 GLU HG3 . 25599 1 29 . 2 2 4 4 GLU C C 13 176.31 0.20 . 1 1 . . B 608 GLU C . 25599 1 30 . 2 2 4 4 GLU CA C 13 56.88 0.20 . 1 1 . . B 608 GLU CA . 25599 1 31 . 2 2 4 4 GLU CB C 13 30.37 0.20 . 1 1 . . B 608 GLU CB . 25599 1 32 . 2 2 4 4 GLU CG C 13 36.55 0.20 . 1 1 . . B 608 GLU CG . 25599 1 33 . 2 2 4 4 GLU N N 15 118.86 0.30 . 1 1 . . B 608 GLU N . 25599 1 34 . 2 2 5 5 HIS H H 1 8.20 0.03 . 1 1 . . B 609 HIS H . 25599 1 35 . 2 2 5 5 HIS HA H 1 4.59 0.03 . 1 1 . . B 609 HIS HA . 25599 1 36 . 2 2 5 5 HIS HB3 H 1 3.06 0.03 . 2 1 . . B 609 HIS HB3 . 25599 1 37 . 2 2 5 5 HIS HD2 H 1 6.93 0.03 . 1 1 . . B 609 HIS HD2 . 25599 1 38 . 2 2 5 5 HIS HE1 H 1 8.11 0.03 . 1 1 . . B 609 HIS HE1 . 25599 1 39 . 2 2 5 5 HIS C C 13 174.67 0.20 . 1 1 . . B 609 HIS C . 25599 1 40 . 2 2 5 5 HIS CA C 13 55.85 0.20 . 1 1 . . B 609 HIS CA . 25599 1 41 . 2 2 5 5 HIS CB C 13 30.19 0.20 . 1 1 . . B 609 HIS CB . 25599 1 42 . 2 2 5 5 HIS CD2 C 13 119.62 0.20 . 1 1 . . B 609 HIS CD2 . 25599 1 43 . 2 2 5 5 HIS CE1 C 13 137.69 0.20 . 1 1 . . B 609 HIS CE1 . 25599 1 44 . 2 2 5 5 HIS N N 15 119.50 0.30 . 1 1 . . B 609 HIS N . 25599 1 45 . 2 2 6 6 ILE H H 1 7.84 0.03 . 1 1 . . B 610 ILE H . 25599 1 46 . 2 2 6 6 ILE HA H 1 4.08 0.03 . 1 1 . . B 610 ILE HA . 25599 1 47 . 2 2 6 6 ILE HB H 1 1.72 0.03 . 1 1 . . B 610 ILE HB . 25599 1 48 . 2 2 6 6 ILE HG12 H 1 1.04 0.03 . 2 1 . . B 610 ILE HG12 . 25599 1 49 . 2 2 6 6 ILE HG13 H 1 1.28 0.03 . 2 1 . . B 610 ILE HG13 . 25599 1 50 . 2 2 6 6 ILE HG21 H 1 0.76 0.03 . 1 1 . . B 610 ILE HG21 . 25599 1 51 . 2 2 6 6 ILE HG22 H 1 0.76 0.03 . 1 1 . . B 610 ILE HG22 . 25599 1 52 . 2 2 6 6 ILE HG23 H 1 0.76 0.03 . 1 1 . . B 610 ILE HG23 . 25599 1 53 . 2 2 6 6 ILE HD11 H 1 0.77 0.03 . 1 1 . . B 610 ILE HD11 . 25599 1 54 . 2 2 6 6 ILE HD12 H 1 0.77 0.03 . 1 1 . . B 610 ILE HD12 . 25599 1 55 . 2 2 6 6 ILE HD13 H 1 0.77 0.03 . 1 1 . . B 610 ILE HD13 . 25599 1 56 . 2 2 6 6 ILE C C 13 175.61 0.20 . 1 1 . . B 610 ILE C . 25599 1 57 . 2 2 6 6 ILE CA C 13 61.14 0.20 . 1 1 . . B 610 ILE CA . 25599 1 58 . 2 2 6 6 ILE CB C 13 38.87 0.20 . 1 1 . . B 610 ILE CB . 25599 1 59 . 2 2 6 6 ILE CG1 C 13 27.33 0.20 . 1 1 . . B 610 ILE CG1 . 25599 1 60 . 2 2 6 6 ILE CG2 C 13 17.46 0.20 . 1 1 . . B 610 ILE CG2 . 25599 1 61 . 2 2 6 6 ILE CD1 C 13 12.97 0.20 . 1 1 . . B 610 ILE CD1 . 25599 1 62 . 2 2 6 6 ILE N N 15 121.37 0.30 . 1 1 . . B 610 ILE N . 25599 1 63 . 2 2 7 7 TYR H H 1 8.18 0.03 . 1 1 . . B 611 TYR H . 25599 1 64 . 2 2 7 7 TYR HA H 1 4.56 0.03 . 1 1 . . B 611 TYR HA . 25599 1 65 . 2 2 7 7 TYR HB2 H 1 2.91 0.03 . 2 1 . . B 611 TYR HB2 . 25599 1 66 . 2 2 7 7 TYR HB3 H 1 3.00 0.03 . 2 1 . . B 611 TYR HB3 . 25599 1 67 . 2 2 7 7 TYR HD1 H 1 7.08 0.03 . 3 1 . . B 611 TYR HD1 . 25599 1 68 . 2 2 7 7 TYR C C 13 175.43 0.20 . 1 1 . . B 611 TYR C . 25599 1 69 . 2 2 7 7 TYR CA C 13 57.85 0.20 . 1 1 . . B 611 TYR CA . 25599 1 70 . 2 2 7 7 TYR CB C 13 38.94 0.20 . 1 1 . . B 611 TYR CB . 25599 1 71 . 2 2 7 7 TYR CD1 C 13 133.43 0.20 . 1 1 . . B 611 TYR CD1 . 25599 1 72 . 2 2 7 7 TYR N N 15 123.85 0.30 . 1 1 . . B 611 TYR N . 25599 1 73 . 2 2 8 8 ARG H H 1 8.16 0.03 . 1 1 . . B 612 ARG H . 25599 1 74 . 2 2 8 8 ARG HA H 1 4.33 0.03 . 1 1 . . B 612 ARG HA . 25599 1 75 . 2 2 8 8 ARG HB2 H 1 1.68 0.03 . 2 1 . . B 612 ARG HB2 . 25599 1 76 . 2 2 8 8 ARG HB3 H 1 1.80 0.03 . 2 1 . . B 612 ARG HB3 . 25599 1 77 . 2 2 8 8 ARG HG3 H 1 1.53 0.03 . 2 1 . . B 612 ARG HG3 . 25599 1 78 . 2 2 8 8 ARG HD3 H 1 3.12 0.03 . 2 1 . . B 612 ARG HD3 . 25599 1 79 . 2 2 8 8 ARG C C 13 175.72 0.20 . 1 1 . . B 612 ARG C . 25599 1 80 . 2 2 8 8 ARG CA C 13 55.85 0.20 . 1 1 . . B 612 ARG CA . 25599 1 81 . 2 2 8 8 ARG CB C 13 31.27 0.20 . 1 1 . . B 612 ARG CB . 25599 1 82 . 2 2 8 8 ARG CG C 13 27.30 0.20 . 1 1 . . B 612 ARG CG . 25599 1 83 . 2 2 8 8 ARG CD C 13 43.50 0.20 . 1 1 . . B 612 ARG CD . 25599 1 84 . 2 2 8 8 ARG N N 15 123.11 0.30 . 1 1 . . B 612 ARG N . 25599 1 85 . 2 2 9 9 CYS H H 1 8.31 0.03 . 1 1 . . B 613 CYS H . 25599 1 86 . 2 2 9 9 CYS HA H 1 4.35 0.03 . 1 1 . . B 613 CYS HA . 25599 1 87 . 2 2 9 9 CYS HB3 H 1 2.89 0.03 . 2 1 . . B 613 CYS HB3 . 25599 1 88 . 2 2 9 9 CYS C C 13 174.90 0.20 . 1 1 . . B 613 CYS C . 25599 1 89 . 2 2 9 9 CYS CA C 13 58.84 0.20 . 1 1 . . B 613 CYS CA . 25599 1 90 . 2 2 9 9 CYS CB C 13 27.93 0.20 . 1 1 . . B 613 CYS CB . 25599 1 91 . 2 2 9 9 CYS N N 15 120.18 0.30 . 1 1 . . B 613 CYS N . 25599 1 92 . 2 2 10 10 GLU H H 1 8.68 0.03 . 1 1 . . B 614 GLU H . 25599 1 93 . 2 2 10 10 GLU HA H 1 4.14 0.03 . 1 1 . . B 614 GLU HA . 25599 1 94 . 2 2 10 10 GLU HB2 H 1 1.94 0.03 . 2 1 . . B 614 GLU HB2 . 25599 1 95 . 2 2 10 10 GLU HB3 H 1 2.02 0.03 . 2 1 . . B 614 GLU HB3 . 25599 1 96 . 2 2 10 10 GLU HG3 H 1 2.24 0.03 . 2 1 . . B 614 GLU HG3 . 25599 1 97 . 2 2 10 10 GLU C C 13 176.48 0.20 . 1 1 . . B 614 GLU C . 25599 1 98 . 2 2 10 10 GLU CA C 13 57.64 0.20 . 1 1 . . B 614 GLU CA . 25599 1 99 . 2 2 10 10 GLU CB C 13 29.80 0.20 . 1 1 . . B 614 GLU CB . 25599 1 100 . 2 2 10 10 GLU CG C 13 36.60 0.20 . 1 1 . . B 614 GLU CG . 25599 1 101 . 2 2 10 10 GLU N N 15 122.68 0.30 . 1 1 . . B 614 GLU N . 25599 1 102 . 2 2 11 11 ASP H H 1 8.10 0.03 . 1 1 . . B 615 ASP H . 25599 1 103 . 2 2 11 11 ASP HA H 1 4.53 0.03 . 1 1 . . B 615 ASP HA . 25599 1 104 . 2 2 11 11 ASP HB2 H 1 2.65 0.03 . 2 1 . . B 615 ASP HB2 . 25599 1 105 . 2 2 11 11 ASP HB3 H 1 2.74 0.03 . 2 1 . . B 615 ASP HB3 . 25599 1 106 . 2 2 11 11 ASP C C 13 176.95 0.20 . 1 1 . . B 615 ASP C . 25599 1 107 . 2 2 11 11 ASP CA C 13 55.10 0.20 . 1 1 . . B 615 ASP CA . 25599 1 108 . 2 2 11 11 ASP CB C 13 41.35 0.20 . 1 1 . . B 615 ASP CB . 25599 1 109 . 2 2 11 11 ASP N N 15 119.94 0.30 . 1 1 . . B 615 ASP N . 25599 1 110 . 2 2 12 12 GLU H H 1 8.37 0.03 . 1 1 . . B 616 GLU H . 25599 1 111 . 2 2 12 12 GLU HA H 1 4.14 0.03 . 1 1 . . B 616 GLU HA . 25599 1 112 . 2 2 12 12 GLU HB2 H 1 1.93 0.03 . 2 1 . . B 616 GLU HB2 . 25599 1 113 . 2 2 12 12 GLU HB3 H 1 2.00 0.03 . 2 1 . . B 616 GLU HB3 . 25599 1 114 . 2 2 12 12 GLU HG3 H 1 2.24 0.03 . 2 1 . . B 616 GLU HG3 . 25599 1 115 . 2 2 12 12 GLU C C 13 176.88 0.20 . 1 1 . . B 616 GLU C . 25599 1 116 . 2 2 12 12 GLU CA C 13 57.89 0.20 . 1 1 . . B 616 GLU CA . 25599 1 117 . 2 2 12 12 GLU CB C 13 30.03 0.20 . 1 1 . . B 616 GLU CB . 25599 1 118 . 2 2 12 12 GLU CG C 13 36.49 0.20 . 1 1 . . B 616 GLU CG . 25599 1 119 . 2 2 12 12 GLU N N 15 121.42 0.30 . 1 1 . . B 616 GLU N . 25599 1 120 . 2 2 13 13 ARG H H 1 7.99 0.03 . 1 1 . . B 617 ARG H . 25599 1 121 . 2 2 13 13 ARG HA H 1 3.93 0.03 . 1 1 . . B 617 ARG HA . 25599 1 122 . 2 2 13 13 ARG HB2 H 1 1.49 0.03 . 2 1 . . B 617 ARG HB2 . 25599 1 123 . 2 2 13 13 ARG HB3 H 1 1.57 0.03 . 2 1 . . B 617 ARG HB3 . 25599 1 124 . 2 2 13 13 ARG HG3 H 1 1.34 0.03 . 2 1 . . B 617 ARG HG3 . 25599 1 125 . 2 2 13 13 ARG HD3 H 1 2.92 0.03 . 2 1 . . B 617 ARG HD3 . 25599 1 126 . 2 2 13 13 ARG C C 13 177.06 0.20 . 1 1 . . B 617 ARG C . 25599 1 127 . 2 2 13 13 ARG CA C 13 57.59 0.20 . 1 1 . . B 617 ARG CA . 25599 1 128 . 2 2 13 13 ARG CB C 13 30.29 0.20 . 1 1 . . B 617 ARG CB . 25599 1 129 . 2 2 13 13 ARG CG C 13 27.00 0.20 . 1 1 . . B 617 ARG CG . 25599 1 130 . 2 2 13 13 ARG CD C 13 43.41 0.20 . 1 1 . . B 617 ARG CD . 25599 1 131 . 2 2 13 13 ARG N N 15 119.86 0.30 . 1 1 . . B 617 ARG N . 25599 1 132 . 2 2 14 14 PHE H H 1 7.98 0.03 . 1 1 . . B 618 PHE H . 25599 1 133 . 2 2 14 14 PHE HA H 1 4.50 0.03 . 1 1 . . B 618 PHE HA . 25599 1 134 . 2 2 14 14 PHE HB2 H 1 3.04 0.03 . 2 1 . . B 618 PHE HB2 . 25599 1 135 . 2 2 14 14 PHE HB3 H 1 3.20 0.03 . 2 1 . . B 618 PHE HB3 . 25599 1 136 . 2 2 14 14 PHE HD2 H 1 7.24 0.03 . 3 1 . . B 618 PHE HD2 . 25599 1 137 . 2 2 14 14 PHE C C 13 176.85 0.20 . 1 1 . . B 618 PHE C . 25599 1 138 . 2 2 14 14 PHE CA C 13 58.86 0.20 . 1 1 . . B 618 PHE CA . 25599 1 139 . 2 2 14 14 PHE CB C 13 39.13 0.20 . 1 1 . . B 618 PHE CB . 25599 1 140 . 2 2 14 14 PHE CD2 C 13 131.73 0.20 . 1 1 . . B 618 PHE CD2 . 25599 1 141 . 2 2 14 14 PHE N N 15 119.82 0.30 . 1 1 . . B 618 PHE N . 25599 1 142 . 2 2 15 15 GLU H H 1 8.11 0.03 . 1 1 . . B 619 GLU H . 25599 1 143 . 2 2 15 15 GLU HA H 1 4.01 0.03 . 1 1 . . B 619 GLU HA . 25599 1 144 . 2 2 15 15 GLU HB3 H 1 2.02 0.03 . 2 1 . . B 619 GLU HB3 . 25599 1 145 . 2 2 15 15 GLU HG3 H 1 2.17 0.03 . 2 1 . . B 619 GLU HG3 . 25599 1 146 . 2 2 15 15 GLU C C 13 179.35 0.20 . 1 1 . . B 619 GLU C . 25599 1 147 . 2 2 15 15 GLU CA C 13 58.59 0.20 . 1 1 . . B 619 GLU CA . 25599 1 148 . 2 2 15 15 GLU CB C 13 29.87 0.20 . 1 1 . . B 619 GLU CB . 25599 1 149 . 2 2 15 15 GLU CG C 13 36.18 0.20 . 1 1 . . B 619 GLU CG . 25599 1 150 . 2 2 15 15 GLU N N 15 120.87 0.30 . 1 1 . . B 619 GLU N . 25599 1 151 . 2 2 16 16 LEU H H 1 7.80 0.03 . 1 1 . . B 620 LEU H . 25599 1 152 . 2 2 16 16 LEU HA H 1 3.94 0.03 . 1 1 . . B 620 LEU HA . 25599 1 153 . 2 2 16 16 LEU HB2 H 1 1.56 0.03 . 2 1 . . B 620 LEU HB2 . 25599 1 154 . 2 2 16 16 LEU HB3 H 1 1.72 0.03 . 2 1 . . B 620 LEU HB3 . 25599 1 155 . 2 2 16 16 LEU HG H 1 1.62 0.03 . 1 1 . . B 620 LEU HG . 25599 1 156 . 2 2 16 16 LEU HD11 H 1 0.93 0.03 . 2 1 . . B 620 LEU HD11 . 25599 1 157 . 2 2 16 16 LEU HD12 H 1 0.93 0.03 . 2 1 . . B 620 LEU HD12 . 25599 1 158 . 2 2 16 16 LEU HD13 H 1 0.93 0.03 . 2 1 . . B 620 LEU HD13 . 25599 1 159 . 2 2 16 16 LEU HD21 H 1 0.84 0.03 . 2 1 . . B 620 LEU HD21 . 25599 1 160 . 2 2 16 16 LEU HD22 H 1 0.84 0.03 . 2 1 . . B 620 LEU HD22 . 25599 1 161 . 2 2 16 16 LEU HD23 H 1 0.84 0.03 . 2 1 . . B 620 LEU HD23 . 25599 1 162 . 2 2 16 16 LEU C C 13 177.69 0.20 . 1 1 . . B 620 LEU C . 25599 1 163 . 2 2 16 16 LEU CA C 13 57.55 0.20 . 1 1 . . B 620 LEU CA . 25599 1 164 . 2 2 16 16 LEU CB C 13 41.75 0.20 . 1 1 . . B 620 LEU CB . 25599 1 165 . 2 2 16 16 LEU CG C 13 27.64 0.20 . 1 1 . . B 620 LEU CG . 25599 1 166 . 2 2 16 16 LEU CD1 C 13 25.59 0.20 . 2 1 . . B 620 LEU CD1 . 25599 1 167 . 2 2 16 16 LEU CD2 C 13 23.86 0.20 . 2 1 . . B 620 LEU CD2 . 25599 1 168 . 2 2 16 16 LEU N N 15 119.28 0.30 . 1 1 . . B 620 LEU N . 25599 1 169 . 2 2 17 17 ASP H H 1 7.79 0.03 . 1 1 . . B 621 ASP H . 25599 1 170 . 2 2 17 17 ASP HA H 1 4.34 0.03 . 1 1 . . B 621 ASP HA . 25599 1 171 . 2 2 17 17 ASP HB2 H 1 2.65 0.03 . 2 1 . . B 621 ASP HB2 . 25599 1 172 . 2 2 17 17 ASP HB3 H 1 2.82 0.03 . 2 1 . . B 621 ASP HB3 . 25599 1 173 . 2 2 17 17 ASP C C 13 179.04 0.20 . 1 1 . . B 621 ASP C . 25599 1 174 . 2 2 17 17 ASP CA C 13 57.88 0.20 . 1 1 . . B 621 ASP CA . 25599 1 175 . 2 2 17 17 ASP CB C 13 40.30 0.20 . 1 1 . . B 621 ASP CB . 25599 1 176 . 2 2 17 17 ASP N N 15 117.51 0.30 . 1 1 . . B 621 ASP N . 25599 1 177 . 2 2 18 18 VAL H H 1 7.51 0.03 . 1 1 . . B 622 VAL H . 25599 1 178 . 2 2 18 18 VAL HA H 1 3.73 0.03 . 1 1 . . B 622 VAL HA . 25599 1 179 . 2 2 18 18 VAL HB H 1 2.10 0.03 . 1 1 . . B 622 VAL HB . 25599 1 180 . 2 2 18 18 VAL HG11 H 1 0.86 0.03 . 2 1 . . B 622 VAL HG11 . 25599 1 181 . 2 2 18 18 VAL HG12 H 1 0.86 0.03 . 2 1 . . B 622 VAL HG12 . 25599 1 182 . 2 2 18 18 VAL HG13 H 1 0.86 0.03 . 2 1 . . B 622 VAL HG13 . 25599 1 183 . 2 2 18 18 VAL HG21 H 1 0.87 0.03 . 2 1 . . B 622 VAL HG21 . 25599 1 184 . 2 2 18 18 VAL HG22 H 1 0.87 0.03 . 2 1 . . B 622 VAL HG22 . 25599 1 185 . 2 2 18 18 VAL HG23 H 1 0.87 0.03 . 2 1 . . B 622 VAL HG23 . 25599 1 186 . 2 2 18 18 VAL C C 13 179.26 0.20 . 1 1 . . B 622 VAL C . 25599 1 187 . 2 2 18 18 VAL CA C 13 65.90 0.20 . 1 1 . . B 622 VAL CA . 25599 1 188 . 2 2 18 18 VAL CB C 13 31.94 0.20 . 1 1 . . B 622 VAL CB . 25599 1 189 . 2 2 18 18 VAL CG1 C 13 21.09 0.20 . 2 1 . . B 622 VAL CG1 . 25599 1 190 . 2 2 18 18 VAL CG2 C 13 22.55 0.20 . 2 1 . . B 622 VAL CG2 . 25599 1 191 . 2 2 18 18 VAL N N 15 120.21 0.30 . 1 1 . . B 622 VAL N . 25599 1 192 . 2 2 19 19 VAL H H 1 8.15 0.03 . 1 1 . . B 623 VAL H . 25599 1 193 . 2 2 19 19 VAL HA H 1 3.28 0.03 . 1 1 . . B 623 VAL HA . 25599 1 194 . 2 2 19 19 VAL HB H 1 1.92 0.03 . 1 1 . . B 623 VAL HB . 25599 1 195 . 2 2 19 19 VAL HG11 H 1 0.50 0.03 . 2 1 . . B 623 VAL HG11 . 25599 1 196 . 2 2 19 19 VAL HG12 H 1 0.50 0.03 . 2 1 . . B 623 VAL HG12 . 25599 1 197 . 2 2 19 19 VAL HG13 H 1 0.50 0.03 . 2 1 . . B 623 VAL HG13 . 25599 1 198 . 2 2 19 19 VAL HG21 H 1 0.03 0.03 . 2 1 . . B 623 VAL HG21 . 25599 1 199 . 2 2 19 19 VAL HG22 H 1 0.03 0.03 . 2 1 . . B 623 VAL HG22 . 25599 1 200 . 2 2 19 19 VAL HG23 H 1 0.03 0.03 . 2 1 . . B 623 VAL HG23 . 25599 1 201 . 2 2 19 19 VAL C C 13 179.39 0.20 . 1 1 . . B 623 VAL C . 25599 1 202 . 2 2 19 19 VAL CA C 13 66.86 0.20 . 1 1 . . B 623 VAL CA . 25599 1 203 . 2 2 19 19 VAL CB C 13 31.42 0.20 . 1 1 . . B 623 VAL CB . 25599 1 204 . 2 2 19 19 VAL CG1 C 13 21.95 0.20 . 2 1 . . B 623 VAL CG1 . 25599 1 205 . 2 2 19 19 VAL CG2 C 13 20.87 0.20 . 2 1 . . B 623 VAL CG2 . 25599 1 206 . 2 2 19 19 VAL N N 15 124.03 0.30 . 1 1 . . B 623 VAL N . 25599 1 207 . 2 2 20 20 LEU H H 1 8.54 0.03 . 1 1 . . B 624 LEU H . 25599 1 208 . 2 2 20 20 LEU HA H 1 4.19 0.03 . 1 1 . . B 624 LEU HA . 25599 1 209 . 2 2 20 20 LEU HB2 H 1 1.61 0.03 . 2 1 . . B 624 LEU HB2 . 25599 1 210 . 2 2 20 20 LEU HB3 H 1 2.10 0.03 . 2 1 . . B 624 LEU HB3 . 25599 1 211 . 2 2 20 20 LEU HG H 1 1.78 0.03 . 1 1 . . B 624 LEU HG . 25599 1 212 . 2 2 20 20 LEU HD11 H 1 1.30 0.03 . 2 1 . . B 624 LEU HD11 . 25599 1 213 . 2 2 20 20 LEU HD12 H 1 1.30 0.03 . 2 1 . . B 624 LEU HD12 . 25599 1 214 . 2 2 20 20 LEU HD13 H 1 1.30 0.03 . 2 1 . . B 624 LEU HD13 . 25599 1 215 . 2 2 20 20 LEU HD21 H 1 0.92 0.03 . 2 1 . . B 624 LEU HD21 . 25599 1 216 . 2 2 20 20 LEU HD22 H 1 0.92 0.03 . 2 1 . . B 624 LEU HD22 . 25599 1 217 . 2 2 20 20 LEU HD23 H 1 0.92 0.03 . 2 1 . . B 624 LEU HD23 . 25599 1 218 . 2 2 20 20 LEU C C 13 179.57 0.20 . 1 1 . . B 624 LEU C . 25599 1 219 . 2 2 20 20 LEU CA C 13 58.63 0.20 . 1 1 . . B 624 LEU CA . 25599 1 220 . 2 2 20 20 LEU CB C 13 42.23 0.20 . 1 1 . . B 624 LEU CB . 25599 1 221 . 2 2 20 20 LEU CG C 13 28.68 0.20 . 1 1 . . B 624 LEU CG . 25599 1 222 . 2 2 20 20 LEU CD1 C 13 25.59 0.20 . 2 1 . . B 624 LEU CD1 . 25599 1 223 . 2 2 20 20 LEU CD2 C 13 26.09 0.20 . 2 1 . . B 624 LEU CD2 . 25599 1 224 . 2 2 20 20 LEU N N 15 120.70 0.30 . 1 1 . . B 624 LEU N . 25599 1 225 . 2 2 21 21 GLU H H 1 8.14 0.03 . 1 1 . . B 625 GLU H . 25599 1 226 . 2 2 21 21 GLU HA H 1 4.15 0.03 . 1 1 . . B 625 GLU HA . 25599 1 227 . 2 2 21 21 GLU HB2 H 1 2.17 0.03 . 2 1 . . B 625 GLU HB2 . 25599 1 228 . 2 2 21 21 GLU HB3 H 1 2.21 0.03 . 2 1 . . B 625 GLU HB3 . 25599 1 229 . 2 2 21 21 GLU HG2 H 1 2.35 0.03 . 2 1 . . B 625 GLU HG2 . 25599 1 230 . 2 2 21 21 GLU HG3 H 1 2.40 0.03 . 2 1 . . B 625 GLU HG3 . 25599 1 231 . 2 2 21 21 GLU C C 13 179.67 0.20 . 1 1 . . B 625 GLU C . 25599 1 232 . 2 2 21 21 GLU CA C 13 59.73 0.20 . 1 1 . . B 625 GLU CA . 25599 1 233 . 2 2 21 21 GLU CB C 13 29.95 0.20 . 1 1 . . B 625 GLU CB . 25599 1 234 . 2 2 21 21 GLU CG C 13 36.17 0.20 . 1 1 . . B 625 GLU CG . 25599 1 235 . 2 2 21 21 GLU N N 15 120.38 0.30 . 1 1 . . B 625 GLU N . 25599 1 236 . 2 2 22 22 THR H H 1 8.38 0.03 . 1 1 . . B 626 THR H . 25599 1 237 . 2 2 22 22 THR HA H 1 3.98 0.03 . 1 1 . . B 626 THR HA . 25599 1 238 . 2 2 22 22 THR HB H 1 4.27 0.03 . 1 1 . . B 626 THR HB . 25599 1 239 . 2 2 22 22 THR HG21 H 1 1.31 0.03 . 1 1 . . B 626 THR HG21 . 25599 1 240 . 2 2 22 22 THR HG22 H 1 1.31 0.03 . 1 1 . . B 626 THR HG22 . 25599 1 241 . 2 2 22 22 THR HG23 H 1 1.31 0.03 . 1 1 . . B 626 THR HG23 . 25599 1 242 . 2 2 22 22 THR C C 13 176.24 0.20 . 1 1 . . B 626 THR C . 25599 1 243 . 2 2 22 22 THR CA C 13 66.14 0.20 . 1 1 . . B 626 THR CA . 25599 1 244 . 2 2 22 22 THR CB C 13 69.30 0.20 . 1 1 . . B 626 THR CB . 25599 1 245 . 2 2 22 22 THR CG2 C 13 22.44 0.20 . 1 1 . . B 626 THR CG2 . 25599 1 246 . 2 2 22 22 THR N N 15 115.97 0.30 . 1 1 . . B 626 THR N . 25599 1 247 . 2 2 23 23 ASN H H 1 8.31 0.03 . 1 1 . . B 627 ASN H . 25599 1 248 . 2 2 23 23 ASN HA H 1 4.46 0.03 . 1 1 . . B 627 ASN HA . 25599 1 249 . 2 2 23 23 ASN HB2 H 1 2.92 0.03 . 2 1 . . B 627 ASN HB2 . 25599 1 250 . 2 2 23 23 ASN HB3 H 1 3.33 0.03 . 2 1 . . B 627 ASN HB3 . 25599 1 251 . 2 2 23 23 ASN HD21 H 1 8.19 0.03 . 2 1 . . B 627 ASN HD21 . 25599 1 252 . 2 2 23 23 ASN HD22 H 1 6.49 0.03 . 2 1 . . B 627 ASN HD22 . 25599 1 253 . 2 2 23 23 ASN C C 13 177.09 0.20 . 1 1 . . B 627 ASN C . 25599 1 254 . 2 2 23 23 ASN CA C 13 58.12 0.20 . 1 1 . . B 627 ASN CA . 25599 1 255 . 2 2 23 23 ASN CB C 13 40.52 0.20 . 1 1 . . B 627 ASN CB . 25599 1 256 . 2 2 23 23 ASN N N 15 123.10 0.30 . 1 1 . . B 627 ASN N . 25599 1 257 . 2 2 23 23 ASN ND2 N 15 111.76 0.30 . 1 1 . . B 627 ASN ND2 . 25599 1 258 . 2 2 24 24 LEU H H 1 8.38 0.03 . 1 1 . . B 628 LEU H . 25599 1 259 . 2 2 24 24 LEU HA H 1 4.15 0.03 . 1 1 . . B 628 LEU HA . 25599 1 260 . 2 2 24 24 LEU HB3 H 1 1.89 0.03 . 2 1 . . B 628 LEU HB3 . 25599 1 261 . 2 2 24 24 LEU HG H 1 1.67 0.03 . 1 1 . . B 628 LEU HG . 25599 1 262 . 2 2 24 24 LEU HD11 H 1 0.99 0.03 . 2 1 . . B 628 LEU HD11 . 25599 1 263 . 2 2 24 24 LEU HD12 H 1 0.99 0.03 . 2 1 . . B 628 LEU HD12 . 25599 1 264 . 2 2 24 24 LEU HD13 H 1 0.99 0.03 . 2 1 . . B 628 LEU HD13 . 25599 1 265 . 2 2 24 24 LEU HD21 H 1 0.95 0.03 . 2 1 . . B 628 LEU HD21 . 25599 1 266 . 2 2 24 24 LEU HD22 H 1 0.95 0.03 . 2 1 . . B 628 LEU HD22 . 25599 1 267 . 2 2 24 24 LEU HD23 H 1 0.95 0.03 . 2 1 . . B 628 LEU HD23 . 25599 1 268 . 2 2 24 24 LEU C C 13 178.49 0.20 . 1 1 . . B 628 LEU C . 25599 1 269 . 2 2 24 24 LEU CA C 13 57.80 0.20 . 1 1 . . B 628 LEU CA . 25599 1 270 . 2 2 24 24 LEU CB C 13 41.91 0.20 . 1 1 . . B 628 LEU CB . 25599 1 271 . 2 2 24 24 LEU CD1 C 13 23.43 0.20 . 2 1 . . B 628 LEU CD1 . 25599 1 272 . 2 2 24 24 LEU CD2 C 13 25.57 0.20 . 2 1 . . B 628 LEU CD2 . 25599 1 273 . 2 2 24 24 LEU N N 15 119.93 0.30 . 1 1 . . B 628 LEU N . 25599 1 274 . 2 2 25 25 ALA H H 1 8.04 0.03 . 1 1 . . B 629 ALA H . 25599 1 275 . 2 2 25 25 ALA HA H 1 4.16 0.03 . 1 1 . . B 629 ALA HA . 25599 1 276 . 2 2 25 25 ALA HB1 H 1 1.66 0.03 . 1 1 . . B 629 ALA HB1 . 25599 1 277 . 2 2 25 25 ALA HB2 H 1 1.66 0.03 . 1 1 . . B 629 ALA HB2 . 25599 1 278 . 2 2 25 25 ALA HB3 H 1 1.66 0.03 . 1 1 . . B 629 ALA HB3 . 25599 1 279 . 2 2 25 25 ALA C C 13 180.92 0.20 . 1 1 . . B 629 ALA C . 25599 1 280 . 2 2 25 25 ALA CA C 13 55.21 0.20 . 1 1 . . B 629 ALA CA . 25599 1 281 . 2 2 25 25 ALA CB C 13 18.07 0.20 . 1 1 . . B 629 ALA CB . 25599 1 282 . 2 2 25 25 ALA N N 15 120.32 0.30 . 1 1 . . B 629 ALA N . 25599 1 283 . 2 2 26 26 THR H H 1 7.64 0.03 . 1 1 . . B 630 THR H . 25599 1 284 . 2 2 26 26 THR HA H 1 4.04 0.03 . 1 1 . . B 630 THR HA . 25599 1 285 . 2 2 26 26 THR HB H 1 4.26 0.03 . 1 1 . . B 630 THR HB . 25599 1 286 . 2 2 26 26 THR HG21 H 1 1.19 0.03 . 1 1 . . B 630 THR HG21 . 25599 1 287 . 2 2 26 26 THR HG22 H 1 1.19 0.03 . 1 1 . . B 630 THR HG22 . 25599 1 288 . 2 2 26 26 THR HG23 H 1 1.19 0.03 . 1 1 . . B 630 THR HG23 . 25599 1 289 . 2 2 26 26 THR C C 13 176.02 0.20 . 1 1 . . B 630 THR C . 25599 1 290 . 2 2 26 26 THR CA C 13 67.20 0.20 . 1 1 . . B 630 THR CA . 25599 1 291 . 2 2 26 26 THR CB C 13 67.89 0.20 . 1 1 . . B 630 THR CB . 25599 1 292 . 2 2 26 26 THR CG2 C 13 22.01 0.20 . 1 1 . . B 630 THR CG2 . 25599 1 293 . 2 2 26 26 THR N N 15 115.72 0.30 . 1 1 . . B 630 THR N . 25599 1 294 . 2 2 27 27 ILE H H 1 8.53 0.03 . 1 1 . . B 631 ILE H . 25599 1 295 . 2 2 27 27 ILE HA H 1 3.38 0.03 . 1 1 . . B 631 ILE HA . 25599 1 296 . 2 2 27 27 ILE HB H 1 2.21 0.03 . 1 1 . . B 631 ILE HB . 25599 1 297 . 2 2 27 27 ILE HG12 H 1 0.67 0.03 . 2 1 . . B 631 ILE HG12 . 25599 1 298 . 2 2 27 27 ILE HG13 H 1 1.91 0.03 . 2 1 . . B 631 ILE HG13 . 25599 1 299 . 2 2 27 27 ILE HG21 H 1 0.83 0.03 . 1 1 . . B 631 ILE HG21 . 25599 1 300 . 2 2 27 27 ILE HG22 H 1 0.83 0.03 . 1 1 . . B 631 ILE HG22 . 25599 1 301 . 2 2 27 27 ILE HG23 H 1 0.83 0.03 . 1 1 . . B 631 ILE HG23 . 25599 1 302 . 2 2 27 27 ILE HD11 H 1 0.75 0.03 . 1 1 . . B 631 ILE HD11 . 25599 1 303 . 2 2 27 27 ILE HD12 H 1 0.75 0.03 . 1 1 . . B 631 ILE HD12 . 25599 1 304 . 2 2 27 27 ILE HD13 H 1 0.75 0.03 . 1 1 . . B 631 ILE HD13 . 25599 1 305 . 2 2 27 27 ILE C C 13 177.51 0.20 . 1 1 . . B 631 ILE C . 25599 1 306 . 2 2 27 27 ILE CA C 13 66.97 0.20 . 1 1 . . B 631 ILE CA . 25599 1 307 . 2 2 27 27 ILE CB C 13 37.97 0.20 . 1 1 . . B 631 ILE CB . 25599 1 308 . 2 2 27 27 ILE CG1 C 13 32.33 0.20 . 1 1 . . B 631 ILE CG1 . 25599 1 309 . 2 2 27 27 ILE CG2 C 13 17.14 0.20 . 1 1 . . B 631 ILE CG2 . 25599 1 310 . 2 2 27 27 ILE CD1 C 13 13.79 0.20 . 1 1 . . B 631 ILE CD1 . 25599 1 311 . 2 2 27 27 ILE N N 15 123.75 0.30 . 1 1 . . B 631 ILE N . 25599 1 312 . 2 2 28 28 ARG H H 1 8.39 0.03 . 1 1 . . B 632 ARG H . 25599 1 313 . 2 2 28 28 ARG HA H 1 4.12 0.03 . 1 1 . . B 632 ARG HA . 25599 1 314 . 2 2 28 28 ARG HB2 H 1 1.90 0.03 . 2 1 . . B 632 ARG HB2 . 25599 1 315 . 2 2 28 28 ARG HB3 H 1 2.02 0.03 . 2 1 . . B 632 ARG HB3 . 25599 1 316 . 2 2 28 28 ARG HG2 H 1 1.75 0.03 . 2 1 . . B 632 ARG HG2 . 25599 1 317 . 2 2 28 28 ARG HG3 H 1 1.91 0.03 . 2 1 . . B 632 ARG HG3 . 25599 1 318 . 2 2 28 28 ARG HD2 H 1 3.18 0.03 . 2 1 . . B 632 ARG HD2 . 25599 1 319 . 2 2 28 28 ARG HD3 H 1 3.26 0.03 . 2 1 . . B 632 ARG HD3 . 25599 1 320 . 2 2 28 28 ARG C C 13 180.38 0.20 . 1 1 . . B 632 ARG C . 25599 1 321 . 2 2 28 28 ARG CA C 13 59.69 0.20 . 1 1 . . B 632 ARG CA . 25599 1 322 . 2 2 28 28 ARG CB C 13 30.06 0.20 . 1 1 . . B 632 ARG CB . 25599 1 323 . 2 2 28 28 ARG CG C 13 28.15 0.20 . 1 1 . . B 632 ARG CG . 25599 1 324 . 2 2 28 28 ARG CD C 13 43.57 0.20 . 1 1 . . B 632 ARG CD . 25599 1 325 . 2 2 28 28 ARG N N 15 116.32 0.30 . 1 1 . . B 632 ARG N . 25599 1 326 . 2 2 29 29 VAL H H 1 7.45 0.03 . 1 1 . . B 633 VAL H . 25599 1 327 . 2 2 29 29 VAL HA H 1 3.90 0.03 . 1 1 . . B 633 VAL HA . 25599 1 328 . 2 2 29 29 VAL HB H 1 2.10 0.03 . 1 1 . . B 633 VAL HB . 25599 1 329 . 2 2 29 29 VAL HG11 H 1 1.12 0.03 . 2 1 . . B 633 VAL HG11 . 25599 1 330 . 2 2 29 29 VAL HG12 H 1 1.12 0.03 . 2 1 . . B 633 VAL HG12 . 25599 1 331 . 2 2 29 29 VAL HG13 H 1 1.12 0.03 . 2 1 . . B 633 VAL HG13 . 25599 1 332 . 2 2 29 29 VAL HG21 H 1 0.85 0.03 . 2 1 . . B 633 VAL HG21 . 25599 1 333 . 2 2 29 29 VAL HG22 H 1 0.85 0.03 . 2 1 . . B 633 VAL HG22 . 25599 1 334 . 2 2 29 29 VAL HG23 H 1 0.85 0.03 . 2 1 . . B 633 VAL HG23 . 25599 1 335 . 2 2 29 29 VAL C C 13 178.34 0.20 . 1 1 . . B 633 VAL C . 25599 1 336 . 2 2 29 29 VAL CA C 13 66.19 0.20 . 1 1 . . B 633 VAL CA . 25599 1 337 . 2 2 29 29 VAL CB C 13 32.10 0.20 . 1 1 . . B 633 VAL CB . 25599 1 338 . 2 2 29 29 VAL CG1 C 13 23.24 0.20 . 2 1 . . B 633 VAL CG1 . 25599 1 339 . 2 2 29 29 VAL CG2 C 13 21.29 0.20 . 2 1 . . B 633 VAL CG2 . 25599 1 340 . 2 2 29 29 VAL N N 15 119.55 0.30 . 1 1 . . B 633 VAL N . 25599 1 341 . 2 2 30 30 LEU H H 1 8.15 0.03 . 1 1 . . B 634 LEU H . 25599 1 342 . 2 2 30 30 LEU HA H 1 4.10 0.03 . 1 1 . . B 634 LEU HA . 25599 1 343 . 2 2 30 30 LEU HB2 H 1 1.39 0.03 . 2 1 . . B 634 LEU HB2 . 25599 1 344 . 2 2 30 30 LEU HB3 H 1 2.06 0.03 . 2 1 . . B 634 LEU HB3 . 25599 1 345 . 2 2 30 30 LEU HG H 1 1.90 0.03 . 1 1 . . B 634 LEU HG . 25599 1 346 . 2 2 30 30 LEU HD11 H 1 0.84 0.03 . 2 1 . . B 634 LEU HD11 . 25599 1 347 . 2 2 30 30 LEU HD12 H 1 0.84 0.03 . 2 1 . . B 634 LEU HD12 . 25599 1 348 . 2 2 30 30 LEU HD13 H 1 0.84 0.03 . 2 1 . . B 634 LEU HD13 . 25599 1 349 . 2 2 30 30 LEU HD21 H 1 0.86 0.03 . 2 1 . . B 634 LEU HD21 . 25599 1 350 . 2 2 30 30 LEU HD22 H 1 0.86 0.03 . 2 1 . . B 634 LEU HD22 . 25599 1 351 . 2 2 30 30 LEU HD23 H 1 0.86 0.03 . 2 1 . . B 634 LEU HD23 . 25599 1 352 . 2 2 30 30 LEU C C 13 179.28 0.20 . 1 1 . . B 634 LEU C . 25599 1 353 . 2 2 30 30 LEU CA C 13 58.10 0.20 . 1 1 . . B 634 LEU CA . 25599 1 354 . 2 2 30 30 LEU CB C 13 41.41 0.20 . 1 1 . . B 634 LEU CB . 25599 1 355 . 2 2 30 30 LEU CG C 13 28.03 0.20 . 1 1 . . B 634 LEU CG . 25599 1 356 . 2 2 30 30 LEU CD1 C 13 26.79 0.20 . 2 1 . . B 634 LEU CD1 . 25599 1 357 . 2 2 30 30 LEU CD2 C 13 23.37 0.20 . 2 1 . . B 634 LEU CD2 . 25599 1 358 . 2 2 30 30 LEU N N 15 120.02 0.30 . 1 1 . . B 634 LEU N . 25599 1 359 . 2 2 31 31 GLU H H 1 9.33 0.03 . 1 1 . . B 635 GLU H . 25599 1 360 . 2 2 31 31 GLU HA H 1 3.91 0.03 . 1 1 . . B 635 GLU HA . 25599 1 361 . 2 2 31 31 GLU HB2 H 1 1.92 0.03 . 2 1 . . B 635 GLU HB2 . 25599 1 362 . 2 2 31 31 GLU HB3 H 1 2.23 0.03 . 2 1 . . B 635 GLU HB3 . 25599 1 363 . 2 2 31 31 GLU HG2 H 1 2.15 0.03 . 2 1 . . B 635 GLU HG2 . 25599 1 364 . 2 2 31 31 GLU HG3 H 1 2.59 0.03 . 2 1 . . B 635 GLU HG3 . 25599 1 365 . 2 2 31 31 GLU C C 13 179.59 0.20 . 1 1 . . B 635 GLU C . 25599 1 366 . 2 2 31 31 GLU CA C 13 59.92 0.20 . 1 1 . . B 635 GLU CA . 25599 1 367 . 2 2 31 31 GLU CB C 13 29.86 0.20 . 1 1 . . B 635 GLU CB . 25599 1 368 . 2 2 31 31 GLU CG C 13 38.49 0.20 . 1 1 . . B 635 GLU CG . 25599 1 369 . 2 2 31 31 GLU N N 15 120.09 0.30 . 1 1 . . B 635 GLU N . 25599 1 370 . 2 2 32 32 ALA H H 1 7.61 0.03 . 1 1 . . B 636 ALA H . 25599 1 371 . 2 2 32 32 ALA HA H 1 4.21 0.03 . 1 1 . . B 636 ALA HA . 25599 1 372 . 2 2 32 32 ALA HB1 H 1 1.62 0.03 . 1 1 . . B 636 ALA HB1 . 25599 1 373 . 2 2 32 32 ALA HB2 H 1 1.62 0.03 . 1 1 . . B 636 ALA HB2 . 25599 1 374 . 2 2 32 32 ALA HB3 H 1 1.62 0.03 . 1 1 . . B 636 ALA HB3 . 25599 1 375 . 2 2 32 32 ALA C C 13 181.21 0.20 . 1 1 . . B 636 ALA C . 25599 1 376 . 2 2 32 32 ALA CA C 13 55.23 0.20 . 1 1 . . B 636 ALA CA . 25599 1 377 . 2 2 32 32 ALA CB C 13 17.82 0.20 . 1 1 . . B 636 ALA CB . 25599 1 378 . 2 2 32 32 ALA N N 15 122.11 0.30 . 1 1 . . B 636 ALA N . 25599 1 379 . 2 2 33 33 ILE H H 1 7.82 0.03 . 1 1 . . B 637 ILE H . 25599 1 380 . 2 2 33 33 ILE HA H 1 3.73 0.03 . 1 1 . . B 637 ILE HA . 25599 1 381 . 2 2 33 33 ILE HB H 1 2.12 0.03 . 1 1 . . B 637 ILE HB . 25599 1 382 . 2 2 33 33 ILE HG12 H 1 1.32 0.03 . 2 1 . . B 637 ILE HG12 . 25599 1 383 . 2 2 33 33 ILE HG13 H 1 1.93 0.03 . 2 1 . . B 637 ILE HG13 . 25599 1 384 . 2 2 33 33 ILE HG21 H 1 0.98 0.03 . 1 1 . . B 637 ILE HG21 . 25599 1 385 . 2 2 33 33 ILE HG22 H 1 0.98 0.03 . 1 1 . . B 637 ILE HG22 . 25599 1 386 . 2 2 33 33 ILE HG23 H 1 0.98 0.03 . 1 1 . . B 637 ILE HG23 . 25599 1 387 . 2 2 33 33 ILE HD11 H 1 0.93 0.03 . 1 1 . . B 637 ILE HD11 . 25599 1 388 . 2 2 33 33 ILE HD12 H 1 0.93 0.03 . 1 1 . . B 637 ILE HD12 . 25599 1 389 . 2 2 33 33 ILE HD13 H 1 0.93 0.03 . 1 1 . . B 637 ILE HD13 . 25599 1 390 . 2 2 33 33 ILE C C 13 177.53 0.20 . 1 1 . . B 637 ILE C . 25599 1 391 . 2 2 33 33 ILE CA C 13 64.69 0.20 . 1 1 . . B 637 ILE CA . 25599 1 392 . 2 2 33 33 ILE CB C 13 37.72 0.20 . 1 1 . . B 637 ILE CB . 25599 1 393 . 2 2 33 33 ILE CG1 C 13 28.62 0.20 . 1 1 . . B 637 ILE CG1 . 25599 1 394 . 2 2 33 33 ILE CG2 C 13 18.88 0.20 . 1 1 . . B 637 ILE CG2 . 25599 1 395 . 2 2 33 33 ILE CD1 C 13 13.54 0.20 . 1 1 . . B 637 ILE CD1 . 25599 1 396 . 2 2 33 33 ILE N N 15 120.12 0.30 . 1 1 . . B 637 ILE N . 25599 1 397 . 2 2 34 34 GLN H H 1 8.66 0.03 . 1 1 . . B 638 GLN H . 25599 1 398 . 2 2 34 34 GLN HA H 1 3.94 0.03 . 1 1 . . B 638 GLN HA . 25599 1 399 . 2 2 34 34 GLN HB2 H 1 2.01 0.03 . 2 1 . . B 638 GLN HB2 . 25599 1 400 . 2 2 34 34 GLN HB3 H 1 2.22 0.03 . 2 1 . . B 638 GLN HB3 . 25599 1 401 . 2 2 34 34 GLN HG3 H 1 2.25 0.03 . 2 1 . . B 638 GLN HG3 . 25599 1 402 . 2 2 34 34 GLN HE21 H 1 7.18 0.03 . 2 1 . . B 638 GLN HE21 . 25599 1 403 . 2 2 34 34 GLN HE22 H 1 6.54 0.03 . 2 1 . . B 638 GLN HE22 . 25599 1 404 . 2 2 34 34 GLN C C 13 178.34 0.20 . 1 1 . . B 638 GLN C . 25599 1 405 . 2 2 34 34 GLN CA C 13 59.32 0.20 . 1 1 . . B 638 GLN CA . 25599 1 406 . 2 2 34 34 GLN CB C 13 28.64 0.20 . 1 1 . . B 638 GLN CB . 25599 1 407 . 2 2 34 34 GLN CG C 13 34.01 0.20 . 1 1 . . B 638 GLN CG . 25599 1 408 . 2 2 34 34 GLN N N 15 120.52 0.30 . 1 1 . . B 638 GLN N . 25599 1 409 . 2 2 34 34 GLN NE2 N 15 108.95 0.30 . 1 1 . . B 638 GLN NE2 . 25599 1 410 . 2 2 35 35 LYS H H 1 7.99 0.03 . 1 1 . . B 639 LYS H . 25599 1 411 . 2 2 35 35 LYS HA H 1 3.99 0.03 . 1 1 . . B 639 LYS HA . 25599 1 412 . 2 2 35 35 LYS HB3 H 1 1.90 0.03 . 2 1 . . B 639 LYS HB3 . 25599 1 413 . 2 2 35 35 LYS HG2 H 1 1.44 0.03 . 2 1 . . B 639 LYS HG2 . 25599 1 414 . 2 2 35 35 LYS HG3 H 1 1.57 0.03 . 2 1 . . B 639 LYS HG3 . 25599 1 415 . 2 2 35 35 LYS HD2 H 1 1.57 0.03 . 2 1 . . B 639 LYS HD2 . 25599 1 416 . 2 2 35 35 LYS HD3 H 1 1.64 0.03 . 2 1 . . B 639 LYS HD3 . 25599 1 417 . 2 2 35 35 LYS C C 13 179.39 0.20 . 1 1 . . B 639 LYS C . 25599 1 418 . 2 2 35 35 LYS CA C 13 59.47 0.20 . 1 1 . . B 639 LYS CA . 25599 1 419 . 2 2 35 35 LYS CB C 13 32.27 0.20 . 1 1 . . B 639 LYS CB . 25599 1 420 . 2 2 35 35 LYS CG C 13 25.35 0.20 . 1 1 . . B 639 LYS CG . 25599 1 421 . 2 2 35 35 LYS CD C 13 29.26 0.20 . 1 1 . . B 639 LYS CD . 25599 1 422 . 2 2 35 35 LYS CE C 13 42.16 0.20 . 1 1 . . B 639 LYS CE . 25599 1 423 . 2 2 35 35 LYS N N 15 118.82 0.30 . 1 1 . . B 639 LYS N . 25599 1 424 . 2 2 36 36 LYS H H 1 7.48 0.03 . 1 1 . . B 640 LYS H . 25599 1 425 . 2 2 36 36 LYS HA H 1 3.98 0.03 . 1 1 . . B 640 LYS HA . 25599 1 426 . 2 2 36 36 LYS HB3 H 1 1.91 0.03 . 2 1 . . B 640 LYS HB3 . 25599 1 427 . 2 2 36 36 LYS HG2 H 1 1.27 0.03 . 2 1 . . B 640 LYS HG2 . 25599 1 428 . 2 2 36 36 LYS HG3 H 1 1.41 0.03 . 2 1 . . B 640 LYS HG3 . 25599 1 429 . 2 2 36 36 LYS HD3 H 1 1.71 0.03 . 2 1 . . B 640 LYS HD3 . 25599 1 430 . 2 2 36 36 LYS HE2 H 1 2.74 0.03 . 2 1 . . B 640 LYS HE2 . 25599 1 431 . 2 2 36 36 LYS HE3 H 1 2.89 0.03 . 2 1 . . B 640 LYS HE3 . 25599 1 432 . 2 2 36 36 LYS C C 13 179.33 0.20 . 1 1 . . B 640 LYS C . 25599 1 433 . 2 2 36 36 LYS CA C 13 59.60 0.20 . 1 1 . . B 640 LYS CA . 25599 1 434 . 2 2 36 36 LYS CB C 13 32.34 0.20 . 1 1 . . B 640 LYS CB . 25599 1 435 . 2 2 36 36 LYS CG C 13 25.31 0.20 . 1 1 . . B 640 LYS CG . 25599 1 436 . 2 2 36 36 LYS CD C 13 29.58 0.20 . 1 1 . . B 640 LYS CD . 25599 1 437 . 2 2 36 36 LYS CE C 13 42.42 0.20 . 1 1 . . B 640 LYS CE . 25599 1 438 . 2 2 36 36 LYS N N 15 119.81 0.30 . 1 1 . . B 640 LYS N . 25599 1 439 . 2 2 37 37 LEU H H 1 8.37 0.03 . 1 1 . . B 641 LEU H . 25599 1 440 . 2 2 37 37 LEU HA H 1 3.58 0.03 . 1 1 . . B 641 LEU HA . 25599 1 441 . 2 2 37 37 LEU HB2 H 1 1.28 0.03 . 2 1 . . B 641 LEU HB2 . 25599 1 442 . 2 2 37 37 LEU HB3 H 1 1.79 0.03 . 2 1 . . B 641 LEU HB3 . 25599 1 443 . 2 2 37 37 LEU HG H 1 1.37 0.03 . 1 1 . . B 641 LEU HG . 25599 1 444 . 2 2 37 37 LEU HD11 H 1 0.63 0.03 . 2 1 . . B 641 LEU HD11 . 25599 1 445 . 2 2 37 37 LEU HD12 H 1 0.63 0.03 . 2 1 . . B 641 LEU HD12 . 25599 1 446 . 2 2 37 37 LEU HD13 H 1 0.63 0.03 . 2 1 . . B 641 LEU HD13 . 25599 1 447 . 2 2 37 37 LEU HD21 H 1 0.46 0.03 . 2 1 . . B 641 LEU HD21 . 25599 1 448 . 2 2 37 37 LEU HD22 H 1 0.46 0.03 . 2 1 . . B 641 LEU HD22 . 25599 1 449 . 2 2 37 37 LEU HD23 H 1 0.46 0.03 . 2 1 . . B 641 LEU HD23 . 25599 1 450 . 2 2 37 37 LEU C C 13 179.03 0.20 . 1 1 . . B 641 LEU C . 25599 1 451 . 2 2 37 37 LEU CA C 13 57.91 0.20 . 1 1 . . B 641 LEU CA . 25599 1 452 . 2 2 37 37 LEU CB C 13 42.20 0.20 . 1 1 . . B 641 LEU CB . 25599 1 453 . 2 2 37 37 LEU CG C 13 27.10 0.20 . 1 1 . . B 641 LEU CG . 25599 1 454 . 2 2 37 37 LEU CD1 C 13 25.76 0.20 . 2 1 . . B 641 LEU CD1 . 25599 1 455 . 2 2 37 37 LEU CD2 C 13 23.98 0.20 . 2 1 . . B 641 LEU CD2 . 25599 1 456 . 2 2 37 37 LEU N N 15 118.49 0.30 . 1 1 . . B 641 LEU N . 25599 1 457 . 2 2 38 38 SER H H 1 7.86 0.03 . 1 1 . . B 642 SER H . 25599 1 458 . 2 2 38 38 SER HA H 1 4.13 0.03 . 1 1 . . B 642 SER HA . 25599 1 459 . 2 2 38 38 SER HB2 H 1 3.96 0.03 . 2 1 . . B 642 SER HB2 . 25599 1 460 . 2 2 38 38 SER HB3 H 1 4.00 0.03 . 2 1 . . B 642 SER HB3 . 25599 1 461 . 2 2 38 38 SER C C 13 174.88 0.20 . 1 1 . . B 642 SER C . 25599 1 462 . 2 2 38 38 SER CA C 13 61.10 0.20 . 1 1 . . B 642 SER CA . 25599 1 463 . 2 2 38 38 SER CB C 13 63.30 0.20 . 1 1 . . B 642 SER CB . 25599 1 464 . 2 2 38 38 SER N N 15 111.09 0.30 . 1 1 . . B 642 SER N . 25599 1 465 . 2 2 39 39 ARG H H 1 7.10 0.03 . 1 1 . . B 643 ARG H . 25599 1 466 . 2 2 39 39 ARG HA H 1 4.41 0.03 . 1 1 . . B 643 ARG HA . 25599 1 467 . 2 2 39 39 ARG HB2 H 1 1.78 0.03 . 2 1 . . B 643 ARG HB2 . 25599 1 468 . 2 2 39 39 ARG HB3 H 1 2.07 0.03 . 2 1 . . B 643 ARG HB3 . 25599 1 469 . 2 2 39 39 ARG HG2 H 1 1.70 0.03 . 2 1 . . B 643 ARG HG2 . 25599 1 470 . 2 2 39 39 ARG HG3 H 1 1.77 0.03 . 2 1 . . B 643 ARG HG3 . 25599 1 471 . 2 2 39 39 ARG HD3 H 1 3.20 0.03 . 2 1 . . B 643 ARG HD3 . 25599 1 472 . 2 2 39 39 ARG C C 13 176.13 0.20 . 1 1 . . B 643 ARG C . 25599 1 473 . 2 2 39 39 ARG CA C 13 55.87 0.20 . 1 1 . . B 643 ARG CA . 25599 1 474 . 2 2 39 39 ARG CB C 13 30.78 0.20 . 1 1 . . B 643 ARG CB . 25599 1 475 . 2 2 39 39 ARG CG C 13 27.46 0.20 . 1 1 . . B 643 ARG CG . 25599 1 476 . 2 2 39 39 ARG CD C 13 43.43 0.20 . 1 1 . . B 643 ARG CD . 25599 1 477 . 2 2 39 39 ARG N N 15 118.43 0.30 . 1 1 . . B 643 ARG N . 25599 1 478 . 2 2 40 40 LEU H H 1 7.43 0.03 . 1 1 . . B 644 LEU H . 25599 1 479 . 2 2 40 40 LEU HA H 1 4.61 0.03 . 1 1 . . B 644 LEU HA . 25599 1 480 . 2 2 40 40 LEU HB2 H 1 1.61 0.03 . 2 1 . . B 644 LEU HB2 . 25599 1 481 . 2 2 40 40 LEU HB3 H 1 1.94 0.03 . 2 1 . . B 644 LEU HB3 . 25599 1 482 . 2 2 40 40 LEU HG H 1 1.90 0.03 . 1 1 . . B 644 LEU HG . 25599 1 483 . 2 2 40 40 LEU HD11 H 1 0.82 0.03 . 2 1 . . B 644 LEU HD11 . 25599 1 484 . 2 2 40 40 LEU HD12 H 1 0.82 0.03 . 2 1 . . B 644 LEU HD12 . 25599 1 485 . 2 2 40 40 LEU HD13 H 1 0.82 0.03 . 2 1 . . B 644 LEU HD13 . 25599 1 486 . 2 2 40 40 LEU HD21 H 1 0.67 0.03 . 2 1 . . B 644 LEU HD21 . 25599 1 487 . 2 2 40 40 LEU HD22 H 1 0.67 0.03 . 2 1 . . B 644 LEU HD22 . 25599 1 488 . 2 2 40 40 LEU HD23 H 1 0.67 0.03 . 2 1 . . B 644 LEU HD23 . 25599 1 489 . 2 2 40 40 LEU C C 13 177.36 0.20 . 1 1 . . B 644 LEU C . 25599 1 490 . 2 2 40 40 LEU CA C 13 53.76 0.20 . 1 1 . . B 644 LEU CA . 25599 1 491 . 2 2 40 40 LEU CB C 13 43.66 0.20 . 1 1 . . B 644 LEU CB . 25599 1 492 . 2 2 40 40 LEU CG C 13 26.21 0.20 . 1 1 . . B 644 LEU CG . 25599 1 493 . 2 2 40 40 LEU CD1 C 13 22.17 0.20 . 2 1 . . B 644 LEU CD1 . 25599 1 494 . 2 2 40 40 LEU CD2 C 13 26.07 0.20 . 2 1 . . B 644 LEU CD2 . 25599 1 495 . 2 2 40 40 LEU N N 15 120.42 0.30 . 1 1 . . B 644 LEU N . 25599 1 496 . 2 2 41 41 SER H H 1 8.82 0.03 . 1 1 . . B 645 SER H . 25599 1 497 . 2 2 41 41 SER HA H 1 4.44 0.03 . 1 1 . . B 645 SER HA . 25599 1 498 . 2 2 41 41 SER HB2 H 1 4.10 0.03 . 2 1 . . B 645 SER HB2 . 25599 1 499 . 2 2 41 41 SER HB3 H 1 4.37 0.03 . 2 1 . . B 645 SER HB3 . 25599 1 500 . 2 2 41 41 SER C C 13 174.93 0.20 . 1 1 . . B 645 SER C . 25599 1 501 . 2 2 41 41 SER CA C 13 57.63 0.20 . 1 1 . . B 645 SER CA . 25599 1 502 . 2 2 41 41 SER CB C 13 64.92 0.20 . 1 1 . . B 645 SER CB . 25599 1 503 . 2 2 41 41 SER N N 15 117.54 0.30 . 1 1 . . B 645 SER N . 25599 1 504 . 2 2 42 42 ALA H H 1 9.01 0.03 . 1 1 . . B 646 ALA H . 25599 1 505 . 2 2 42 42 ALA HA H 1 3.98 0.03 . 1 1 . . B 646 ALA HA . 25599 1 506 . 2 2 42 42 ALA HB1 H 1 1.48 0.03 . 1 1 . . B 646 ALA HB1 . 25599 1 507 . 2 2 42 42 ALA HB2 H 1 1.48 0.03 . 1 1 . . B 646 ALA HB2 . 25599 1 508 . 2 2 42 42 ALA HB3 H 1 1.48 0.03 . 1 1 . . B 646 ALA HB3 . 25599 1 509 . 2 2 42 42 ALA C C 13 180.95 0.20 . 1 1 . . B 646 ALA C . 25599 1 510 . 2 2 42 42 ALA CA C 13 56.06 0.20 . 1 1 . . B 646 ALA CA . 25599 1 511 . 2 2 42 42 ALA CB C 13 17.99 0.20 . 1 1 . . B 646 ALA CB . 25599 1 512 . 2 2 42 42 ALA N N 15 124.29 0.30 . 1 1 . . B 646 ALA N . 25599 1 513 . 2 2 43 43 GLU H H 1 8.78 0.03 . 1 1 . . B 647 GLU H . 25599 1 514 . 2 2 43 43 GLU HA H 1 4.08 0.03 . 1 1 . . B 647 GLU HA . 25599 1 515 . 2 2 43 43 GLU HB2 H 1 1.96 0.03 . 2 1 . . B 647 GLU HB2 . 25599 1 516 . 2 2 43 43 GLU HB3 H 1 2.09 0.03 . 2 1 . . B 647 GLU HB3 . 25599 1 517 . 2 2 43 43 GLU HG3 H 1 2.33 0.03 . 2 1 . . B 647 GLU HG3 . 25599 1 518 . 2 2 43 43 GLU C C 13 179.16 0.20 . 1 1 . . B 647 GLU C . 25599 1 519 . 2 2 43 43 GLU CA C 13 59.82 0.20 . 1 1 . . B 647 GLU CA . 25599 1 520 . 2 2 43 43 GLU CB C 13 29.49 0.20 . 1 1 . . B 647 GLU CB . 25599 1 521 . 2 2 43 43 GLU CG C 13 36.69 0.20 . 1 1 . . B 647 GLU CG . 25599 1 522 . 2 2 43 43 GLU N N 15 117.50 0.30 . 1 1 . . B 647 GLU N . 25599 1 523 . 2 2 44 44 GLU H H 1 7.59 0.03 . 1 1 . . B 648 GLU H . 25599 1 524 . 2 2 44 44 GLU HA H 1 4.08 0.03 . 1 1 . . B 648 GLU HA . 25599 1 525 . 2 2 44 44 GLU HB2 H 1 2.13 0.03 . 2 1 . . B 648 GLU HB2 . 25599 1 526 . 2 2 44 44 GLU HB3 H 1 2.32 0.03 . 2 1 . . B 648 GLU HB3 . 25599 1 527 . 2 2 44 44 GLU HG2 H 1 2.27 0.03 . 2 1 . . B 648 GLU HG2 . 25599 1 528 . 2 2 44 44 GLU HG3 H 1 2.44 0.03 . 2 1 . . B 648 GLU HG3 . 25599 1 529 . 2 2 44 44 GLU C C 13 180.54 0.20 . 1 1 . . B 648 GLU C . 25599 1 530 . 2 2 44 44 GLU CA C 13 58.86 0.20 . 1 1 . . B 648 GLU CA . 25599 1 531 . 2 2 44 44 GLU CB C 13 30.99 0.20 . 1 1 . . B 648 GLU CB . 25599 1 532 . 2 2 44 44 GLU CG C 13 37.49 0.20 . 1 1 . . B 648 GLU CG . 25599 1 533 . 2 2 44 44 GLU N N 15 118.59 0.30 . 1 1 . . B 648 GLU N . 25599 1 534 . 2 2 45 45 GLN H H 1 9.03 0.03 . 1 1 . . B 649 GLN H . 25599 1 535 . 2 2 45 45 GLN HA H 1 3.79 0.03 . 1 1 . . B 649 GLN HA . 25599 1 536 . 2 2 45 45 GLN HB2 H 1 2.05 0.03 . 2 1 . . B 649 GLN HB2 . 25599 1 537 . 2 2 45 45 GLN HB3 H 1 2.24 0.03 . 2 1 . . B 649 GLN HB3 . 25599 1 538 . 2 2 45 45 GLN HG2 H 1 2.23 0.03 . 2 1 . . B 649 GLN HG2 . 25599 1 539 . 2 2 45 45 GLN HG3 H 1 2.67 0.03 . 2 1 . . B 649 GLN HG3 . 25599 1 540 . 2 2 45 45 GLN HE21 H 1 7.10 0.03 . 2 1 . . B 649 GLN HE21 . 25599 1 541 . 2 2 45 45 GLN HE22 H 1 6.69 0.03 . 2 1 . . B 649 GLN HE22 . 25599 1 542 . 2 2 45 45 GLN C C 13 178.26 0.20 . 1 1 . . B 649 GLN C . 25599 1 543 . 2 2 45 45 GLN CA C 13 60.09 0.20 . 1 1 . . B 649 GLN CA . 25599 1 544 . 2 2 45 45 GLN CB C 13 28.42 0.20 . 1 1 . . B 649 GLN CB . 25599 1 545 . 2 2 45 45 GLN CG C 13 35.58 0.20 . 1 1 . . B 649 GLN CG . 25599 1 546 . 2 2 45 45 GLN N N 15 120.38 0.30 . 1 1 . . B 649 GLN N . 25599 1 547 . 2 2 45 45 GLN NE2 N 15 111.53 0.30 . 1 1 . . B 649 GLN NE2 . 25599 1 548 . 2 2 46 46 ALA H H 1 7.47 0.03 . 1 1 . . B 650 ALA H . 25599 1 549 . 2 2 46 46 ALA HA H 1 4.26 0.03 . 1 1 . . B 650 ALA HA . 25599 1 550 . 2 2 46 46 ALA HB1 H 1 1.56 0.03 . 1 1 . . B 650 ALA HB1 . 25599 1 551 . 2 2 46 46 ALA HB2 H 1 1.56 0.03 . 1 1 . . B 650 ALA HB2 . 25599 1 552 . 2 2 46 46 ALA HB3 H 1 1.56 0.03 . 1 1 . . B 650 ALA HB3 . 25599 1 553 . 2 2 46 46 ALA C C 13 178.61 0.20 . 1 1 . . B 650 ALA C . 25599 1 554 . 2 2 46 46 ALA CA C 13 54.38 0.20 . 1 1 . . B 650 ALA CA . 25599 1 555 . 2 2 46 46 ALA CB C 13 18.42 0.20 . 1 1 . . B 650 ALA CB . 25599 1 556 . 2 2 46 46 ALA N N 15 118.33 0.30 . 1 1 . . B 650 ALA N . 25599 1 557 . 2 2 47 47 LYS H H 1 7.12 0.03 . 1 1 . . B 651 LYS H . 25599 1 558 . 2 2 47 47 LYS HA H 1 4.40 0.03 . 1 1 . . B 651 LYS HA . 25599 1 559 . 2 2 47 47 LYS HB2 H 1 1.82 0.03 . 2 1 . . B 651 LYS HB2 . 25599 1 560 . 2 2 47 47 LYS HB3 H 1 2.04 0.03 . 2 1 . . B 651 LYS HB3 . 25599 1 561 . 2 2 47 47 LYS HG2 H 1 1.52 0.03 . 2 1 . . B 651 LYS HG2 . 25599 1 562 . 2 2 47 47 LYS HG3 H 1 1.63 0.03 . 2 1 . . B 651 LYS HG3 . 25599 1 563 . 2 2 47 47 LYS HD3 H 1 1.70 0.03 . 2 1 . . B 651 LYS HD3 . 25599 1 564 . 2 2 47 47 LYS HE3 H 1 2.98 0.03 . 2 1 . . B 651 LYS HE3 . 25599 1 565 . 2 2 47 47 LYS C C 13 175.79 0.20 . 1 1 . . B 651 LYS C . 25599 1 566 . 2 2 47 47 LYS CA C 13 55.91 0.20 . 1 1 . . B 651 LYS CA . 25599 1 567 . 2 2 47 47 LYS CB C 13 33.95 0.20 . 1 1 . . B 651 LYS CB . 25599 1 568 . 2 2 47 47 LYS CG C 13 25.06 0.20 . 1 1 . . B 651 LYS CG . 25599 1 569 . 2 2 47 47 LYS CD C 13 29.41 0.20 . 1 1 . . B 651 LYS CD . 25599 1 570 . 2 2 47 47 LYS CE C 13 42.19 0.20 . 1 1 . . B 651 LYS CE . 25599 1 571 . 2 2 47 47 LYS N N 15 114.11 0.30 . 1 1 . . B 651 LYS N . 25599 1 572 . 2 2 48 48 PHE H H 1 7.38 0.03 . 1 1 . . B 652 PHE H . 25599 1 573 . 2 2 48 48 PHE HA H 1 4.30 0.03 . 1 1 . . B 652 PHE HA . 25599 1 574 . 2 2 48 48 PHE HB2 H 1 3.01 0.03 . 2 1 . . B 652 PHE HB2 . 25599 1 575 . 2 2 48 48 PHE HB3 H 1 3.18 0.03 . 2 1 . . B 652 PHE HB3 . 25599 1 576 . 2 2 48 48 PHE HD2 H 1 7.10 0.03 . 3 1 . . B 652 PHE HD2 . 25599 1 577 . 2 2 48 48 PHE HE2 H 1 7.19 0.03 . 3 1 . . B 652 PHE HE2 . 25599 1 578 . 2 2 48 48 PHE C C 13 174.47 0.20 . 1 1 . . B 652 PHE C . 25599 1 579 . 2 2 48 48 PHE CA C 13 59.62 0.20 . 1 1 . . B 652 PHE CA . 25599 1 580 . 2 2 48 48 PHE CB C 13 40.21 0.20 . 1 1 . . B 652 PHE CB . 25599 1 581 . 2 2 48 48 PHE CD2 C 13 132.28 0.20 . 1 1 . . B 652 PHE CD2 . 25599 1 582 . 2 2 48 48 PHE N N 15 122.90 0.30 . 1 1 . . B 652 PHE N . 25599 1 583 . 2 2 49 49 ARG H H 1 7.62 0.03 . 1 1 . . B 653 ARG H . 25599 1 584 . 2 2 49 49 ARG HA H 1 4.57 0.03 . 1 1 . . B 653 ARG HA . 25599 1 585 . 2 2 49 49 ARG HB2 H 1 1.61 0.03 . 2 1 . . B 653 ARG HB2 . 25599 1 586 . 2 2 49 49 ARG HB3 H 1 1.86 0.03 . 2 1 . . B 653 ARG HB3 . 25599 1 587 . 2 2 49 49 ARG HG3 H 1 1.69 0.03 . 2 1 . . B 653 ARG HG3 . 25599 1 588 . 2 2 49 49 ARG HD2 H 1 3.20 0.03 . 2 1 . . B 653 ARG HD2 . 25599 1 589 . 2 2 49 49 ARG HD3 H 1 3.33 0.03 . 2 1 . . B 653 ARG HD3 . 25599 1 590 . 2 2 49 49 ARG C C 13 174.88 0.20 . 1 1 . . B 653 ARG C . 25599 1 591 . 2 2 49 49 ARG CA C 13 53.95 0.20 . 1 1 . . B 653 ARG CA . 25599 1 592 . 2 2 49 49 ARG CB C 13 33.76 0.20 . 1 1 . . B 653 ARG CB . 25599 1 593 . 2 2 49 49 ARG CG C 13 26.87 0.20 . 1 1 . . B 653 ARG CG . 25599 1 594 . 2 2 49 49 ARG CD C 13 43.55 0.20 . 1 1 . . B 653 ARG CD . 25599 1 595 . 2 2 49 49 ARG N N 15 108.94 0.30 . 1 1 . . B 653 ARG N . 25599 1 596 . 2 2 50 50 LEU H H 1 8.52 0.03 . 1 1 . . B 654 LEU H . 25599 1 597 . 2 2 50 50 LEU HA H 1 4.51 0.03 . 1 1 . . B 654 LEU HA . 25599 1 598 . 2 2 50 50 LEU HB2 H 1 1.64 0.03 . 2 1 . . B 654 LEU HB2 . 25599 1 599 . 2 2 50 50 LEU HB3 H 1 1.74 0.03 . 2 1 . . B 654 LEU HB3 . 25599 1 600 . 2 2 50 50 LEU HG H 1 1.84 0.03 . 1 1 . . B 654 LEU HG . 25599 1 601 . 2 2 50 50 LEU HD11 H 1 0.92 0.03 . 2 1 . . B 654 LEU HD11 . 25599 1 602 . 2 2 50 50 LEU HD12 H 1 0.92 0.03 . 2 1 . . B 654 LEU HD12 . 25599 1 603 . 2 2 50 50 LEU HD13 H 1 0.92 0.03 . 2 1 . . B 654 LEU HD13 . 25599 1 604 . 2 2 50 50 LEU HD21 H 1 0.88 0.03 . 2 1 . . B 654 LEU HD21 . 25599 1 605 . 2 2 50 50 LEU HD22 H 1 0.88 0.03 . 2 1 . . B 654 LEU HD22 . 25599 1 606 . 2 2 50 50 LEU HD23 H 1 0.88 0.03 . 2 1 . . B 654 LEU HD23 . 25599 1 607 . 2 2 50 50 LEU C C 13 176.70 0.20 . 1 1 . . B 654 LEU C . 25599 1 608 . 2 2 50 50 LEU CA C 13 53.97 0.20 . 1 1 . . B 654 LEU CA . 25599 1 609 . 2 2 50 50 LEU CB C 13 43.15 0.20 . 1 1 . . B 654 LEU CB . 25599 1 610 . 2 2 50 50 LEU CD1 C 13 24.09 0.20 . 2 1 . . B 654 LEU CD1 . 25599 1 611 . 2 2 50 50 LEU CD2 C 13 25.98 0.20 . 2 1 . . B 654 LEU CD2 . 25599 1 612 . 2 2 50 50 LEU N N 15 119.29 0.30 . 1 1 . . B 654 LEU N . 25599 1 613 . 2 2 51 51 ASP H H 1 8.08 0.03 . 1 1 . . B 655 ASP H . 25599 1 614 . 2 2 51 51 ASP HA H 1 4.52 0.03 . 1 1 . . B 655 ASP HA . 25599 1 615 . 2 2 51 51 ASP HB2 H 1 2.65 0.03 . 2 1 . . B 655 ASP HB2 . 25599 1 616 . 2 2 51 51 ASP HB3 H 1 2.81 0.03 . 2 1 . . B 655 ASP HB3 . 25599 1 617 . 2 2 51 51 ASP C C 13 179.27 0.20 . 1 1 . . B 655 ASP C . 25599 1 618 . 2 2 51 51 ASP CA C 13 55.02 0.20 . 1 1 . . B 655 ASP CA . 25599 1 619 . 2 2 51 51 ASP CB C 13 41.29 0.20 . 1 1 . . B 655 ASP CB . 25599 1 620 . 2 2 51 51 ASP N N 15 119.92 0.30 . 1 1 . . B 655 ASP N . 25599 1 621 . 2 2 52 52 ASN HA H 1 4.54 0.03 . 1 1 . . B 656 ASN HA . 25599 1 622 . 2 2 52 52 ASN HB3 H 1 2.83 0.03 . 2 1 . . B 656 ASN HB3 . 25599 1 623 . 2 2 52 52 ASN HD21 H 1 7.58 0.03 . 2 1 . . B 656 ASN HD21 . 25599 1 624 . 2 2 52 52 ASN HD22 H 1 6.85 0.03 . 2 1 . . B 656 ASN HD22 . 25599 1 625 . 2 2 52 52 ASN C C 13 176.05 0.20 . 1 1 . . B 656 ASN C . 25599 1 626 . 2 2 52 52 ASN CA C 13 54.64 0.20 . 1 1 . . B 656 ASN CA . 25599 1 627 . 2 2 52 52 ASN CB C 13 38.50 0.20 . 1 1 . . B 656 ASN CB . 25599 1 628 . 2 2 52 52 ASN ND2 N 15 112.31 0.30 . 1 1 . . B 656 ASN ND2 . 25599 1 629 . 2 2 53 53 THR H H 1 8.04 0.03 . 1 1 . . B 657 THR H . 25599 1 630 . 2 2 53 53 THR HA H 1 4.22 0.03 . 1 1 . . B 657 THR HA . 25599 1 631 . 2 2 53 53 THR HB H 1 4.15 0.03 . 1 1 . . B 657 THR HB . 25599 1 632 . 2 2 53 53 THR HG21 H 1 1.18 0.03 . 1 1 . . B 657 THR HG21 . 25599 1 633 . 2 2 53 53 THR HG22 H 1 1.18 0.03 . 1 1 . . B 657 THR HG22 . 25599 1 634 . 2 2 53 53 THR HG23 H 1 1.18 0.03 . 1 1 . . B 657 THR HG23 . 25599 1 635 . 2 2 53 53 THR C C 13 175.03 0.20 . 1 1 . . B 657 THR C . 25599 1 636 . 2 2 53 53 THR CA C 13 63.31 0.20 . 1 1 . . B 657 THR CA . 25599 1 637 . 2 2 53 53 THR CB C 13 69.74 0.20 . 1 1 . . B 657 THR CB . 25599 1 638 . 2 2 53 53 THR CG2 C 13 22.00 0.20 . 1 1 . . B 657 THR CG2 . 25599 1 639 . 2 2 53 53 THR N N 15 112.13 0.30 . 1 1 . . B 657 THR N . 25599 1 640 . 2 2 54 54 LEU H H 1 8.28 0.03 . 1 1 . . B 658 LEU H . 25599 1 641 . 2 2 54 54 LEU HA H 1 4.09 0.03 . 1 1 . . B 658 LEU HA . 25599 1 642 . 2 2 54 54 LEU HB2 H 1 1.56 0.03 . 2 1 . . B 658 LEU HB2 . 25599 1 643 . 2 2 54 54 LEU HB3 H 1 1.75 0.03 . 2 1 . . B 658 LEU HB3 . 25599 1 644 . 2 2 54 54 LEU HG H 1 1.51 0.03 . 1 1 . . B 658 LEU HG . 25599 1 645 . 2 2 54 54 LEU HD11 H 1 0.73 0.03 . 2 1 . . B 658 LEU HD11 . 25599 1 646 . 2 2 54 54 LEU HD12 H 1 0.73 0.03 . 2 1 . . B 658 LEU HD12 . 25599 1 647 . 2 2 54 54 LEU HD13 H 1 0.73 0.03 . 2 1 . . B 658 LEU HD13 . 25599 1 648 . 2 2 54 54 LEU HD21 H 1 0.72 0.03 . 2 1 . . B 658 LEU HD21 . 25599 1 649 . 2 2 54 54 LEU HD22 H 1 0.72 0.03 . 2 1 . . B 658 LEU HD22 . 25599 1 650 . 2 2 54 54 LEU HD23 H 1 0.72 0.03 . 2 1 . . B 658 LEU HD23 . 25599 1 651 . 2 2 54 54 LEU C C 13 175.80 0.20 . 1 1 . . B 658 LEU C . 25599 1 652 . 2 2 54 54 LEU CA C 13 55.58 0.20 . 1 1 . . B 658 LEU CA . 25599 1 653 . 2 2 54 54 LEU CB C 13 40.97 0.20 . 1 1 . . B 658 LEU CB . 25599 1 654 . 2 2 54 54 LEU CG C 13 27.26 0.20 . 1 1 . . B 658 LEU CG . 25599 1 655 . 2 2 54 54 LEU CD1 C 13 23.67 0.20 . 2 1 . . B 658 LEU CD1 . 25599 1 656 . 2 2 54 54 LEU CD2 C 13 25.63 0.20 . 2 1 . . B 658 LEU CD2 . 25599 1 657 . 2 2 54 54 LEU N N 15 120.14 0.30 . 1 1 . . B 658 LEU N . 25599 1 658 . 2 2 55 55 GLY H H 1 8.12 0.03 . 1 1 . . B 659 GLY H . 25599 1 659 . 2 2 55 55 GLY HA3 H 1 3.98 0.03 . 2 1 . . B 659 GLY HA3 . 25599 1 660 . 2 2 55 55 GLY C C 13 175.03 0.20 . 1 1 . . B 659 GLY C . 25599 1 661 . 2 2 55 55 GLY CA C 13 45.09 0.20 . 1 1 . . B 659 GLY CA . 25599 1 662 . 2 2 55 55 GLY N N 15 106.03 0.30 . 1 1 . . B 659 GLY N . 25599 1 663 . 2 2 56 56 GLY H H 1 8.25 0.03 . 1 1 . . B 660 GLY H . 25599 1 664 . 2 2 56 56 GLY HA3 H 1 4.12 0.03 . 2 1 . . B 660 GLY HA3 . 25599 1 665 . 2 2 56 56 GLY CA C 13 45.30 0.20 . 1 1 . . B 660 GLY CA . 25599 1 666 . 2 2 56 56 GLY N N 15 108.66 0.30 . 1 1 . . B 660 GLY N . 25599 1 667 . 2 2 57 57 THR HA H 1 4.31 0.03 . 1 1 . . B 661 THR HA . 25599 1 668 . 2 2 57 57 THR HB H 1 4.33 0.03 . 1 1 . . B 661 THR HB . 25599 1 669 . 2 2 57 57 THR HG21 H 1 1.26 0.03 . 1 1 . . B 661 THR HG21 . 25599 1 670 . 2 2 57 57 THR HG22 H 1 1.26 0.03 . 1 1 . . B 661 THR HG22 . 25599 1 671 . 2 2 57 57 THR HG23 H 1 1.26 0.03 . 1 1 . . B 661 THR HG23 . 25599 1 672 . 2 2 57 57 THR C C 13 175.57 0.20 . 1 1 . . B 661 THR C . 25599 1 673 . 2 2 57 57 THR CA C 13 63.26 0.20 . 1 1 . . B 661 THR CA . 25599 1 674 . 2 2 57 57 THR CB C 13 69.36 0.20 . 1 1 . . B 661 THR CB . 25599 1 675 . 2 2 57 57 THR CG2 C 13 22.09 0.20 . 1 1 . . B 661 THR CG2 . 25599 1 676 . 2 2 58 58 SER H H 1 8.13 0.03 . 1 1 . . B 662 SER H . 25599 1 677 . 2 2 58 58 SER HA H 1 4.51 0.03 . 1 1 . . B 662 SER HA . 25599 1 678 . 2 2 58 58 SER HB2 H 1 3.80 0.03 . 2 1 . . B 662 SER HB2 . 25599 1 679 . 2 2 58 58 SER HB3 H 1 3.96 0.03 . 2 1 . . B 662 SER HB3 . 25599 1 680 . 2 2 58 58 SER C C 13 174.46 0.20 . 1 1 . . B 662 SER C . 25599 1 681 . 2 2 58 58 SER CA C 13 58.53 0.20 . 1 1 . . B 662 SER CA . 25599 1 682 . 2 2 58 58 SER CB C 13 63.75 0.20 . 1 1 . . B 662 SER CB . 25599 1 683 . 2 2 58 58 SER N N 15 115.44 0.30 . 1 1 . . B 662 SER N . 25599 1 684 . 2 2 59 59 GLU H H 1 8.27 0.03 . 1 1 . . B 663 GLU H . 25599 1 685 . 2 2 59 59 GLU HA H 1 4.17 0.03 . 1 1 . . B 663 GLU HA . 25599 1 686 . 2 2 59 59 GLU HB3 H 1 2.06 0.03 . 2 1 . . B 663 GLU HB3 . 25599 1 687 . 2 2 59 59 GLU HG3 H 1 2.29 0.03 . 2 1 . . B 663 GLU HG3 . 25599 1 688 . 2 2 59 59 GLU C C 13 177.13 0.20 . 1 1 . . B 663 GLU C . 25599 1 689 . 2 2 59 59 GLU CA C 13 58.42 0.20 . 1 1 . . B 663 GLU CA . 25599 1 690 . 2 2 59 59 GLU CB C 13 30.05 0.20 . 1 1 . . B 663 GLU CB . 25599 1 691 . 2 2 59 59 GLU CG C 13 36.34 0.20 . 1 1 . . B 663 GLU CG . 25599 1 692 . 2 2 59 59 GLU N N 15 123.12 0.30 . 1 1 . . B 663 GLU N . 25599 1 693 . 2 2 60 60 VAL H H 1 7.81 0.03 . 1 1 . . B 664 VAL H . 25599 1 694 . 2 2 60 60 VAL HA H 1 3.75 0.03 . 1 1 . . B 664 VAL HA . 25599 1 695 . 2 2 60 60 VAL HB H 1 2.06 0.03 . 1 1 . . B 664 VAL HB . 25599 1 696 . 2 2 60 60 VAL HG11 H 1 0.98 0.03 . 2 1 . . B 664 VAL HG11 . 25599 1 697 . 2 2 60 60 VAL HG12 H 1 0.98 0.03 . 2 1 . . B 664 VAL HG12 . 25599 1 698 . 2 2 60 60 VAL HG13 H 1 0.98 0.03 . 2 1 . . B 664 VAL HG13 . 25599 1 699 . 2 2 60 60 VAL HG21 H 1 0.88 0.03 . 2 1 . . B 664 VAL HG21 . 25599 1 700 . 2 2 60 60 VAL HG22 H 1 0.88 0.03 . 2 1 . . B 664 VAL HG22 . 25599 1 701 . 2 2 60 60 VAL HG23 H 1 0.88 0.03 . 2 1 . . B 664 VAL HG23 . 25599 1 702 . 2 2 60 60 VAL C C 13 177.27 0.20 . 1 1 . . B 664 VAL C . 25599 1 703 . 2 2 60 60 VAL CA C 13 65.13 0.20 . 1 1 . . B 664 VAL CA . 25599 1 704 . 2 2 60 60 VAL CB C 13 32.35 0.20 . 1 1 . . B 664 VAL CB . 25599 1 705 . 2 2 60 60 VAL CG1 C 13 21.57 0.20 . 2 1 . . B 664 VAL CG1 . 25599 1 706 . 2 2 60 60 VAL CG2 C 13 21.18 0.20 . 2 1 . . B 664 VAL CG2 . 25599 1 707 . 2 2 60 60 VAL N N 15 117.35 0.30 . 1 1 . . B 664 VAL N . 25599 1 708 . 2 2 61 61 ILE H H 1 7.49 0.03 . 1 1 . . B 665 ILE H . 25599 1 709 . 2 2 61 61 ILE HA H 1 3.73 0.03 . 1 1 . . B 665 ILE HA . 25599 1 710 . 2 2 61 61 ILE HB H 1 1.66 0.03 . 1 1 . . B 665 ILE HB . 25599 1 711 . 2 2 61 61 ILE HG12 H 1 1.11 0.03 . 2 1 . . B 665 ILE HG12 . 25599 1 712 . 2 2 61 61 ILE HG13 H 1 1.41 0.03 . 2 1 . . B 665 ILE HG13 . 25599 1 713 . 2 2 61 61 ILE HG21 H 1 0.75 0.03 . 1 1 . . B 665 ILE HG21 . 25599 1 714 . 2 2 61 61 ILE HG22 H 1 0.75 0.03 . 1 1 . . B 665 ILE HG22 . 25599 1 715 . 2 2 61 61 ILE HG23 H 1 0.75 0.03 . 1 1 . . B 665 ILE HG23 . 25599 1 716 . 2 2 61 61 ILE HD11 H 1 0.81 0.03 . 1 1 . . B 665 ILE HD11 . 25599 1 717 . 2 2 61 61 ILE HD12 H 1 0.81 0.03 . 1 1 . . B 665 ILE HD12 . 25599 1 718 . 2 2 61 61 ILE HD13 H 1 0.81 0.03 . 1 1 . . B 665 ILE HD13 . 25599 1 719 . 2 2 61 61 ILE C C 13 176.69 0.20 . 1 1 . . B 665 ILE C . 25599 1 720 . 2 2 61 61 ILE CA C 13 63.87 0.20 . 1 1 . . B 665 ILE CA . 25599 1 721 . 2 2 61 61 ILE CB C 13 37.94 0.20 . 1 1 . . B 665 ILE CB . 25599 1 722 . 2 2 61 61 ILE CG1 C 13 28.33 0.20 . 1 1 . . B 665 ILE CG1 . 25599 1 723 . 2 2 61 61 ILE CG2 C 13 17.41 0.20 . 1 1 . . B 665 ILE CG2 . 25599 1 724 . 2 2 61 61 ILE CD1 C 13 13.05 0.20 . 1 1 . . B 665 ILE CD1 . 25599 1 725 . 2 2 61 61 ILE N N 15 119.11 0.30 . 1 1 . . B 665 ILE N . 25599 1 726 . 2 2 62 62 HIS H H 1 7.15 0.03 . 1 1 . . B 666 HIS H . 25599 1 727 . 2 2 62 62 HIS HA H 1 4.76 0.03 . 1 1 . . B 666 HIS HA . 25599 1 728 . 2 2 62 62 HIS HB2 H 1 3.04 0.03 . 2 1 . . B 666 HIS HB2 . 25599 1 729 . 2 2 62 62 HIS HB3 H 1 3.09 0.03 . 2 1 . . B 666 HIS HB3 . 25599 1 730 . 2 2 62 62 HIS HD2 H 1 7.05 0.03 . 1 1 . . B 666 HIS HD2 . 25599 1 731 . 2 2 62 62 HIS HE1 H 1 7.54 0.03 . 1 1 . . B 666 HIS HE1 . 25599 1 732 . 2 2 62 62 HIS CA C 13 57.60 0.20 . 1 1 . . B 666 HIS CA . 25599 1 733 . 2 2 62 62 HIS CB C 13 29.91 0.20 . 1 1 . . B 666 HIS CB . 25599 1 734 . 2 2 62 62 HIS CD2 C 13 119.66 0.20 . 1 1 . . B 666 HIS CD2 . 25599 1 735 . 2 2 62 62 HIS CE1 C 13 138.22 0.20 . 1 1 . . B 666 HIS CE1 . 25599 1 736 . 2 2 63 63 ARG HA H 1 3.88 0.03 . 1 1 . . B 667 ARG HA . 25599 1 737 . 2 2 63 63 ARG HB3 H 1 1.89 0.03 . 2 1 . . B 667 ARG HB3 . 25599 1 738 . 2 2 63 63 ARG HG2 H 1 1.49 0.03 . 2 1 . . B 667 ARG HG2 . 25599 1 739 . 2 2 63 63 ARG HG3 H 1 1.64 0.03 . 2 1 . . B 667 ARG HG3 . 25599 1 740 . 2 2 63 63 ARG HD3 H 1 3.20 0.03 . 2 1 . . B 667 ARG HD3 . 25599 1 741 . 2 2 63 63 ARG C C 13 178.68 0.20 . 1 1 . . B 667 ARG C . 25599 1 742 . 2 2 63 63 ARG CA C 13 60.27 0.20 . 1 1 . . B 667 ARG CA . 25599 1 743 . 2 2 63 63 ARG CB C 13 30.04 0.20 . 1 1 . . B 667 ARG CB . 25599 1 744 . 2 2 63 63 ARG CG C 13 28.19 0.20 . 1 1 . . B 667 ARG CG . 25599 1 745 . 2 2 63 63 ARG CD C 13 43.55 0.20 . 1 1 . . B 667 ARG CD . 25599 1 746 . 2 2 64 64 LYS H H 1 8.10 0.03 . 1 1 . . B 668 LYS H . 25599 1 747 . 2 2 64 64 LYS HA H 1 4.06 0.03 . 1 1 . . B 668 LYS HA . 25599 1 748 . 2 2 64 64 LYS HB2 H 1 1.83 0.03 . 2 1 . . B 668 LYS HB2 . 25599 1 749 . 2 2 64 64 LYS HB3 H 1 1.98 0.03 . 2 1 . . B 668 LYS HB3 . 25599 1 750 . 2 2 64 64 LYS HG2 H 1 1.44 0.03 . 2 1 . . B 668 LYS HG2 . 25599 1 751 . 2 2 64 64 LYS HG3 H 1 1.59 0.03 . 2 1 . . B 668 LYS HG3 . 25599 1 752 . 2 2 64 64 LYS HD3 H 1 1.64 0.03 . 2 1 . . B 668 LYS HD3 . 25599 1 753 . 2 2 64 64 LYS HE3 H 1 2.89 0.03 . 2 1 . . B 668 LYS HE3 . 25599 1 754 . 2 2 64 64 LYS C C 13 179.59 0.20 . 1 1 . . B 668 LYS C . 25599 1 755 . 2 2 64 64 LYS CA C 13 59.53 0.20 . 1 1 . . B 668 LYS CA . 25599 1 756 . 2 2 64 64 LYS CB C 13 32.20 0.20 . 1 1 . . B 668 LYS CB . 25599 1 757 . 2 2 64 64 LYS CG C 13 25.53 0.20 . 1 1 . . B 668 LYS CG . 25599 1 758 . 2 2 64 64 LYS CD C 13 29.40 0.20 . 1 1 . . B 668 LYS CD . 25599 1 759 . 2 2 64 64 LYS CE C 13 42.13 0.20 . 1 1 . . B 668 LYS CE . 25599 1 760 . 2 2 64 64 LYS N N 15 118.52 0.30 . 1 1 . . B 668 LYS N . 25599 1 761 . 2 2 65 65 ALA H H 1 8.05 0.03 . 1 1 . . B 669 ALA H . 25599 1 762 . 2 2 65 65 ALA HA H 1 4.17 0.03 . 1 1 . . B 669 ALA HA . 25599 1 763 . 2 2 65 65 ALA HB1 H 1 1.68 0.03 . 1 1 . . B 669 ALA HB1 . 25599 1 764 . 2 2 65 65 ALA HB2 H 1 1.68 0.03 . 1 1 . . B 669 ALA HB2 . 25599 1 765 . 2 2 65 65 ALA HB3 H 1 1.68 0.03 . 1 1 . . B 669 ALA HB3 . 25599 1 766 . 2 2 65 65 ALA C C 13 180.29 0.20 . 1 1 . . B 669 ALA C . 25599 1 767 . 2 2 65 65 ALA CA C 13 55.03 0.20 . 1 1 . . B 669 ALA CA . 25599 1 768 . 2 2 65 65 ALA CB C 13 19.23 0.20 . 1 1 . . B 669 ALA CB . 25599 1 769 . 2 2 65 65 ALA N N 15 121.56 0.30 . 1 1 . . B 669 ALA N . 25599 1 770 . 2 2 66 66 LEU H H 1 7.87 0.03 . 1 1 . . B 670 LEU H . 25599 1 771 . 2 2 66 66 LEU HA H 1 4.52 0.03 . 1 1 . . B 670 LEU HA . 25599 1 772 . 2 2 66 66 LEU HB2 H 1 1.44 0.03 . 2 1 . . B 670 LEU HB2 . 25599 1 773 . 2 2 66 66 LEU HB3 H 1 2.10 0.03 . 2 1 . . B 670 LEU HB3 . 25599 1 774 . 2 2 66 66 LEU HG H 1 2.09 0.03 . 1 1 . . B 670 LEU HG . 25599 1 775 . 2 2 66 66 LEU HD11 H 1 0.98 0.03 . 2 1 . . B 670 LEU HD11 . 25599 1 776 . 2 2 66 66 LEU HD12 H 1 0.98 0.03 . 2 1 . . B 670 LEU HD12 . 25599 1 777 . 2 2 66 66 LEU HD13 H 1 0.98 0.03 . 2 1 . . B 670 LEU HD13 . 25599 1 778 . 2 2 66 66 LEU HD21 H 1 0.85 0.03 . 2 1 . . B 670 LEU HD21 . 25599 1 779 . 2 2 66 66 LEU HD22 H 1 0.85 0.03 . 2 1 . . B 670 LEU HD22 . 25599 1 780 . 2 2 66 66 LEU HD23 H 1 0.85 0.03 . 2 1 . . B 670 LEU HD23 . 25599 1 781 . 2 2 66 66 LEU C C 13 179.62 0.20 . 1 1 . . B 670 LEU C . 25599 1 782 . 2 2 66 66 LEU CA C 13 57.16 0.20 . 1 1 . . B 670 LEU CA . 25599 1 783 . 2 2 66 66 LEU CB C 13 41.91 0.20 . 1 1 . . B 670 LEU CB . 25599 1 784 . 2 2 66 66 LEU CG C 13 27.93 0.20 . 1 1 . . B 670 LEU CG . 25599 1 785 . 2 2 66 66 LEU CD1 C 13 24.09 0.20 . 2 1 . . B 670 LEU CD1 . 25599 1 786 . 2 2 66 66 LEU CD2 C 13 26.08 0.20 . 2 1 . . B 670 LEU CD2 . 25599 1 787 . 2 2 66 66 LEU N N 15 115.17 0.30 . 1 1 . . B 670 LEU N . 25599 1 788 . 2 2 67 67 GLN H H 1 9.00 0.03 . 1 1 . . B 671 GLN H . 25599 1 789 . 2 2 67 67 GLN HA H 1 4.15 0.03 . 1 1 . . B 671 GLN HA . 25599 1 790 . 2 2 67 67 GLN HB2 H 1 2.08 0.03 . 2 1 . . B 671 GLN HB2 . 25599 1 791 . 2 2 67 67 GLN HB3 H 1 2.22 0.03 . 2 1 . . B 671 GLN HB3 . 25599 1 792 . 2 2 67 67 GLN HG3 H 1 2.45 0.03 . 2 1 . . B 671 GLN HG3 . 25599 1 793 . 2 2 67 67 GLN HE21 H 1 7.46 0.03 . 2 1 . . B 671 GLN HE21 . 25599 1 794 . 2 2 67 67 GLN HE22 H 1 6.75 0.03 . 2 1 . . B 671 GLN HE22 . 25599 1 795 . 2 2 67 67 GLN C C 13 178.85 0.20 . 1 1 . . B 671 GLN C . 25599 1 796 . 2 2 67 67 GLN CA C 13 59.01 0.20 . 1 1 . . B 671 GLN CA . 25599 1 797 . 2 2 67 67 GLN CB C 13 28.36 0.20 . 1 1 . . B 671 GLN CB . 25599 1 798 . 2 2 67 67 GLN CG C 13 34.27 0.20 . 1 1 . . B 671 GLN CG . 25599 1 799 . 2 2 67 67 GLN N N 15 121.91 0.30 . 1 1 . . B 671 GLN N . 25599 1 800 . 2 2 67 67 GLN NE2 N 15 110.43 0.30 . 1 1 . . B 671 GLN NE2 . 25599 1 801 . 2 2 68 68 ARG H H 1 7.73 0.03 . 1 1 . . B 672 ARG H . 25599 1 802 . 2 2 68 68 ARG HA H 1 3.97 0.03 . 1 1 . . B 672 ARG HA . 25599 1 803 . 2 2 68 68 ARG HB3 H 1 2.04 0.03 . 2 1 . . B 672 ARG HB3 . 25599 1 804 . 2 2 68 68 ARG HG2 H 1 1.60 0.03 . 2 1 . . B 672 ARG HG2 . 25599 1 805 . 2 2 68 68 ARG HG3 H 1 1.66 0.03 . 2 1 . . B 672 ARG HG3 . 25599 1 806 . 2 2 68 68 ARG HD2 H 1 2.65 0.03 . 2 1 . . B 672 ARG HD2 . 25599 1 807 . 2 2 68 68 ARG HD3 H 1 2.68 0.03 . 2 1 . . B 672 ARG HD3 . 25599 1 808 . 2 2 68 68 ARG C C 13 175.45 0.20 . 1 1 . . B 672 ARG C . 25599 1 809 . 2 2 68 68 ARG CA C 13 58.14 0.20 . 1 1 . . B 672 ARG CA . 25599 1 810 . 2 2 68 68 ARG CB C 13 29.37 0.20 . 1 1 . . B 672 ARG CB . 25599 1 811 . 2 2 68 68 ARG CD C 13 42.45 0.20 . 1 1 . . B 672 ARG CD . 25599 1 812 . 2 2 68 68 ARG N N 15 117.89 0.30 . 1 1 . . B 672 ARG N . 25599 1 813 . 2 2 69 69 ILE H H 1 6.54 0.03 . 1 1 . . B 673 ILE H . 25599 1 814 . 2 2 69 69 ILE HA H 1 5.19 0.03 . 1 1 . . B 673 ILE HA . 25599 1 815 . 2 2 69 69 ILE HB H 1 1.82 0.03 . 1 1 . . B 673 ILE HB . 25599 1 816 . 2 2 69 69 ILE HG12 H 1 1.34 0.03 . 2 1 . . B 673 ILE HG12 . 25599 1 817 . 2 2 69 69 ILE HG13 H 1 1.42 0.03 . 2 1 . . B 673 ILE HG13 . 25599 1 818 . 2 2 69 69 ILE HG21 H 1 1.22 0.03 . 1 1 . . B 673 ILE HG21 . 25599 1 819 . 2 2 69 69 ILE HG22 H 1 1.22 0.03 . 1 1 . . B 673 ILE HG22 . 25599 1 820 . 2 2 69 69 ILE HG23 H 1 1.22 0.03 . 1 1 . . B 673 ILE HG23 . 25599 1 821 . 2 2 69 69 ILE HD11 H 1 0.68 0.03 . 1 1 . . B 673 ILE HD11 . 25599 1 822 . 2 2 69 69 ILE HD12 H 1 0.68 0.03 . 1 1 . . B 673 ILE HD12 . 25599 1 823 . 2 2 69 69 ILE HD13 H 1 0.68 0.03 . 1 1 . . B 673 ILE HD13 . 25599 1 824 . 2 2 69 69 ILE C C 13 175.82 0.20 . 1 1 . . B 673 ILE C . 25599 1 825 . 2 2 69 69 ILE CA C 13 61.65 0.20 . 1 1 . . B 673 ILE CA . 25599 1 826 . 2 2 69 69 ILE CB C 13 39.48 0.20 . 1 1 . . B 673 ILE CB . 25599 1 827 . 2 2 69 69 ILE CG1 C 13 26.34 0.20 . 1 1 . . B 673 ILE CG1 . 25599 1 828 . 2 2 69 69 ILE CG2 C 13 18.48 0.20 . 1 1 . . B 673 ILE CG2 . 25599 1 829 . 2 2 69 69 ILE CD1 C 13 15.26 0.20 . 1 1 . . B 673 ILE CD1 . 25599 1 830 . 2 2 69 69 ILE N N 15 120.03 0.30 . 1 1 . . B 673 ILE N . 25599 1 831 . 2 2 70 70 TYR H H 1 8.31 0.03 . 1 1 . . B 674 TYR H . 25599 1 832 . 2 2 70 70 TYR HA H 1 4.67 0.03 . 1 1 . . B 674 TYR HA . 25599 1 833 . 2 2 70 70 TYR HB2 H 1 2.54 0.03 . 2 1 . . B 674 TYR HB2 . 25599 1 834 . 2 2 70 70 TYR HB3 H 1 2.87 0.03 . 2 1 . . B 674 TYR HB3 . 25599 1 835 . 2 2 70 70 TYR HD1 H 1 7.11 0.03 . 3 1 . . B 674 TYR HD1 . 25599 1 836 . 2 2 70 70 TYR HE1 H 1 6.71 0.03 . 3 1 . . B 674 TYR HE1 . 25599 1 837 . 2 2 70 70 TYR C C 13 176.37 0.20 . 1 1 . . B 674 TYR C . 25599 1 838 . 2 2 70 70 TYR CA C 13 60.00 0.20 . 1 1 . . B 674 TYR CA . 25599 1 839 . 2 2 70 70 TYR CB C 13 39.85 0.20 . 1 1 . . B 674 TYR CB . 25599 1 840 . 2 2 70 70 TYR CD1 C 13 133.23 0.20 . 1 1 . . B 674 TYR CD1 . 25599 1 841 . 2 2 70 70 TYR CE1 C 13 118.24 0.20 . 1 1 . . B 674 TYR CE1 . 25599 1 842 . 2 2 70 70 TYR N N 15 116.03 0.30 . 1 1 . . B 674 TYR N . 25599 1 843 . 2 2 71 71 ALA H H 1 8.22 0.03 . 1 1 . . B 675 ALA H . 25599 1 844 . 2 2 71 71 ALA HA H 1 4.29 0.03 . 1 1 . . B 675 ALA HA . 25599 1 845 . 2 2 71 71 ALA HB1 H 1 1.69 0.03 . 1 1 . . B 675 ALA HB1 . 25599 1 846 . 2 2 71 71 ALA HB2 H 1 1.69 0.03 . 1 1 . . B 675 ALA HB2 . 25599 1 847 . 2 2 71 71 ALA HB3 H 1 1.69 0.03 . 1 1 . . B 675 ALA HB3 . 25599 1 848 . 2 2 71 71 ALA C C 13 177.92 0.20 . 1 1 . . B 675 ALA C . 25599 1 849 . 2 2 71 71 ALA CA C 13 53.59 0.20 . 1 1 . . B 675 ALA CA . 25599 1 850 . 2 2 71 71 ALA CB C 13 17.93 0.20 . 1 1 . . B 675 ALA CB . 25599 1 851 . 2 2 71 71 ALA N N 15 124.05 0.30 . 1 1 . . B 675 ALA N . 25599 1 852 . 2 2 72 72 ASP H H 1 8.62 0.03 . 1 1 . . B 676 ASP H . 25599 1 853 . 2 2 72 72 ASP HA H 1 4.55 0.03 . 1 1 . . B 676 ASP HA . 25599 1 854 . 2 2 72 72 ASP HB3 H 1 2.86 0.03 . 2 1 . . B 676 ASP HB3 . 25599 1 855 . 2 2 72 72 ASP C C 13 177.43 0.20 . 1 1 . . B 676 ASP C . 25599 1 856 . 2 2 72 72 ASP CA C 13 56.34 0.20 . 1 1 . . B 676 ASP CA . 25599 1 857 . 2 2 72 72 ASP CB C 13 39.85 0.20 . 1 1 . . B 676 ASP CB . 25599 1 858 . 2 2 72 72 ASP N N 15 120.81 0.30 . 1 1 . . B 676 ASP N . 25599 1 859 . 2 2 73 73 LYS H H 1 7.90 0.03 . 1 1 . . B 677 LYS H . 25599 1 860 . 2 2 73 73 LYS HA H 1 4.71 0.03 . 1 1 . . B 677 LYS HA . 25599 1 861 . 2 2 73 73 LYS HB3 H 1 2.12 0.03 . 2 1 . . B 677 LYS HB3 . 25599 1 862 . 2 2 73 73 LYS HG2 H 1 1.58 0.03 . 2 1 . . B 677 LYS HG2 . 25599 1 863 . 2 2 73 73 LYS HG3 H 1 1.69 0.03 . 2 1 . . B 677 LYS HG3 . 25599 1 864 . 2 2 73 73 LYS HD2 H 1 1.64 0.03 . 2 1 . . B 677 LYS HD2 . 25599 1 865 . 2 2 73 73 LYS HD3 H 1 1.72 0.03 . 2 1 . . B 677 LYS HD3 . 25599 1 866 . 2 2 73 73 LYS HE3 H 1 2.96 0.03 . 2 1 . . B 677 LYS HE3 . 25599 1 867 . 2 2 73 73 LYS C C 13 176.59 0.20 . 1 1 . . B 677 LYS C . 25599 1 868 . 2 2 73 73 LYS CA C 13 55.13 0.20 . 1 1 . . B 677 LYS CA . 25599 1 869 . 2 2 73 73 LYS CB C 13 30.87 0.20 . 1 1 . . B 677 LYS CB . 25599 1 870 . 2 2 73 73 LYS CG C 13 25.23 0.20 . 1 1 . . B 677 LYS CG . 25599 1 871 . 2 2 73 73 LYS CD C 13 28.02 0.20 . 1 1 . . B 677 LYS CD . 25599 1 872 . 2 2 73 73 LYS CE C 13 42.47 0.20 . 1 1 . . B 677 LYS CE . 25599 1 873 . 2 2 73 73 LYS N N 15 116.80 0.30 . 1 1 . . B 677 LYS N . 25599 1 874 . 2 2 74 74 ALA H H 1 8.19 0.03 . 1 1 . . B 678 ALA H . 25599 1 875 . 2 2 74 74 ALA HA H 1 3.52 0.03 . 1 1 . . B 678 ALA HA . 25599 1 876 . 2 2 74 74 ALA HB1 H 1 1.44 0.03 . 1 1 . . B 678 ALA HB1 . 25599 1 877 . 2 2 74 74 ALA HB2 H 1 1.44 0.03 . 1 1 . . B 678 ALA HB2 . 25599 1 878 . 2 2 74 74 ALA HB3 H 1 1.44 0.03 . 1 1 . . B 678 ALA HB3 . 25599 1 879 . 2 2 74 74 ALA C C 13 178.49 0.20 . 1 1 . . B 678 ALA C . 25599 1 880 . 2 2 74 74 ALA CA C 13 55.56 0.20 . 1 1 . . B 678 ALA CA . 25599 1 881 . 2 2 74 74 ALA CB C 13 18.06 0.20 . 1 1 . . B 678 ALA CB . 25599 1 882 . 2 2 74 74 ALA N N 15 122.70 0.30 . 1 1 . . B 678 ALA N . 25599 1 883 . 2 2 75 75 ALA H H 1 7.85 0.03 . 1 1 . . B 679 ALA H . 25599 1 884 . 2 2 75 75 ALA HA H 1 3.96 0.03 . 1 1 . . B 679 ALA HA . 25599 1 885 . 2 2 75 75 ALA HB1 H 1 1.47 0.03 . 1 1 . . B 679 ALA HB1 . 25599 1 886 . 2 2 75 75 ALA HB2 H 1 1.47 0.03 . 1 1 . . B 679 ALA HB2 . 25599 1 887 . 2 2 75 75 ALA HB3 H 1 1.47 0.03 . 1 1 . . B 679 ALA HB3 . 25599 1 888 . 2 2 75 75 ALA C C 13 179.74 0.20 . 1 1 . . B 679 ALA C . 25599 1 889 . 2 2 75 75 ALA CA C 13 55.67 0.20 . 1 1 . . B 679 ALA CA . 25599 1 890 . 2 2 75 75 ALA CB C 13 18.00 0.20 . 1 1 . . B 679 ALA CB . 25599 1 891 . 2 2 75 75 ALA N N 15 117.77 0.30 . 1 1 . . B 679 ALA N . 25599 1 892 . 2 2 76 76 ASP H H 1 7.57 0.03 . 1 1 . . B 680 ASP H . 25599 1 893 . 2 2 76 76 ASP HA H 1 4.36 0.03 . 1 1 . . B 680 ASP HA . 25599 1 894 . 2 2 76 76 ASP HB2 H 1 2.39 0.03 . 2 1 . . B 680 ASP HB2 . 25599 1 895 . 2 2 76 76 ASP HB3 H 1 2.70 0.03 . 2 1 . . B 680 ASP HB3 . 25599 1 896 . 2 2 76 76 ASP C C 13 178.67 0.20 . 1 1 . . B 680 ASP C . 25599 1 897 . 2 2 76 76 ASP CA C 13 57.01 0.20 . 1 1 . . B 680 ASP CA . 25599 1 898 . 2 2 76 76 ASP CB C 13 41.34 0.20 . 1 1 . . B 680 ASP CB . 25599 1 899 . 2 2 76 76 ASP N N 15 118.16 0.30 . 1 1 . . B 680 ASP N . 25599 1 900 . 2 2 77 77 ILE H H 1 7.39 0.03 . 1 1 . . B 681 ILE H . 25599 1 901 . 2 2 77 77 ILE HA H 1 3.47 0.03 . 1 1 . . B 681 ILE HA . 25599 1 902 . 2 2 77 77 ILE HB H 1 1.79 0.03 . 1 1 . . B 681 ILE HB . 25599 1 903 . 2 2 77 77 ILE HG12 H 1 -0.51 0.03 . 2 1 . . B 681 ILE HG12 . 25599 1 904 . 2 2 77 77 ILE HG13 H 1 1.05 0.03 . 2 1 . . B 681 ILE HG13 . 25599 1 905 . 2 2 77 77 ILE HG21 H 1 0.52 0.03 . 1 1 . . B 681 ILE HG21 . 25599 1 906 . 2 2 77 77 ILE HG22 H 1 0.52 0.03 . 1 1 . . B 681 ILE HG22 . 25599 1 907 . 2 2 77 77 ILE HG23 H 1 0.52 0.03 . 1 1 . . B 681 ILE HG23 . 25599 1 908 . 2 2 77 77 ILE HD11 H 1 0.20 0.03 . 1 1 . . B 681 ILE HD11 . 25599 1 909 . 2 2 77 77 ILE HD12 H 1 0.20 0.03 . 1 1 . . B 681 ILE HD12 . 25599 1 910 . 2 2 77 77 ILE HD13 H 1 0.20 0.03 . 1 1 . . B 681 ILE HD13 . 25599 1 911 . 2 2 77 77 ILE C C 13 177.90 0.20 . 1 1 . . B 681 ILE C . 25599 1 912 . 2 2 77 77 ILE CA C 13 61.65 0.20 . 1 1 . . B 681 ILE CA . 25599 1 913 . 2 2 77 77 ILE CB C 13 34.84 0.20 . 1 1 . . B 681 ILE CB . 25599 1 914 . 2 2 77 77 ILE CG1 C 13 24.64 0.20 . 1 1 . . B 681 ILE CG1 . 25599 1 915 . 2 2 77 77 ILE CG2 C 13 17.92 0.20 . 1 1 . . B 681 ILE CG2 . 25599 1 916 . 2 2 77 77 ILE CD1 C 13 8.83 0.20 . 1 1 . . B 681 ILE CD1 . 25599 1 917 . 2 2 77 77 ILE N N 15 121.04 0.30 . 1 1 . . B 681 ILE N . 25599 1 918 . 2 2 78 78 ILE H H 1 8.62 0.03 . 1 1 . . B 682 ILE H . 25599 1 919 . 2 2 78 78 ILE HA H 1 3.52 0.03 . 1 1 . . B 682 ILE HA . 25599 1 920 . 2 2 78 78 ILE HB H 1 1.85 0.03 . 1 1 . . B 682 ILE HB . 25599 1 921 . 2 2 78 78 ILE HG12 H 1 0.85 0.03 . 2 1 . . B 682 ILE HG12 . 25599 1 922 . 2 2 78 78 ILE HG13 H 1 1.74 0.03 . 2 1 . . B 682 ILE HG13 . 25599 1 923 . 2 2 78 78 ILE HG21 H 1 0.91 0.03 . 1 1 . . B 682 ILE HG21 . 25599 1 924 . 2 2 78 78 ILE HG22 H 1 0.91 0.03 . 1 1 . . B 682 ILE HG22 . 25599 1 925 . 2 2 78 78 ILE HG23 H 1 0.91 0.03 . 1 1 . . B 682 ILE HG23 . 25599 1 926 . 2 2 78 78 ILE HD11 H 1 0.85 0.03 . 1 1 . . B 682 ILE HD11 . 25599 1 927 . 2 2 78 78 ILE HD12 H 1 0.85 0.03 . 1 1 . . B 682 ILE HD12 . 25599 1 928 . 2 2 78 78 ILE HD13 H 1 0.85 0.03 . 1 1 . . B 682 ILE HD13 . 25599 1 929 . 2 2 78 78 ILE C C 13 177.28 0.20 . 1 1 . . B 682 ILE C . 25599 1 930 . 2 2 78 78 ILE CA C 13 65.94 0.20 . 1 1 . . B 682 ILE CA . 25599 1 931 . 2 2 78 78 ILE CB C 13 37.76 0.20 . 1 1 . . B 682 ILE CB . 25599 1 932 . 2 2 78 78 ILE CG1 C 13 31.70 0.20 . 1 1 . . B 682 ILE CG1 . 25599 1 933 . 2 2 78 78 ILE CG2 C 13 17.38 0.20 . 1 1 . . B 682 ILE CG2 . 25599 1 934 . 2 2 78 78 ILE CD1 C 13 13.31 0.20 . 1 1 . . B 682 ILE CD1 . 25599 1 935 . 2 2 78 78 ILE N N 15 120.52 0.30 . 1 1 . . B 682 ILE N . 25599 1 936 . 2 2 79 79 ASP H H 1 7.75 0.03 . 1 1 . . B 683 ASP H . 25599 1 937 . 2 2 79 79 ASP HA H 1 4.41 0.03 . 1 1 . . B 683 ASP HA . 25599 1 938 . 2 2 79 79 ASP HB2 H 1 2.64 0.03 . 2 1 . . B 683 ASP HB2 . 25599 1 939 . 2 2 79 79 ASP HB3 H 1 2.77 0.03 . 2 1 . . B 683 ASP HB3 . 25599 1 940 . 2 2 79 79 ASP C C 13 178.36 0.20 . 1 1 . . B 683 ASP C . 25599 1 941 . 2 2 79 79 ASP CA C 13 58.08 0.20 . 1 1 . . B 683 ASP CA . 25599 1 942 . 2 2 79 79 ASP CB C 13 41.75 0.20 . 1 1 . . B 683 ASP CB . 25599 1 943 . 2 2 79 79 ASP N N 15 119.11 0.30 . 1 1 . . B 683 ASP N . 25599 1 944 . 2 2 80 80 GLY H H 1 7.80 0.03 . 1 1 . . B 684 GLY H . 25599 1 945 . 2 2 80 80 GLY HA2 H 1 3.49 0.03 . 2 1 . . B 684 GLY HA2 . 25599 1 946 . 2 2 80 80 GLY HA3 H 1 3.96 0.03 . 2 1 . . B 684 GLY HA3 . 25599 1 947 . 2 2 80 80 GLY C C 13 175.11 0.20 . 1 1 . . B 684 GLY C . 25599 1 948 . 2 2 80 80 GLY CA C 13 47.38 0.20 . 1 1 . . B 684 GLY CA . 25599 1 949 . 2 2 80 80 GLY N N 15 122.23 0.30 . 1 1 . . B 684 GLY N . 25599 1 950 . 2 2 81 81 LEU H H 1 8.46 0.03 . 1 1 . . B 685 LEU H . 25599 1 951 . 2 2 81 81 LEU HA H 1 3.71 0.03 . 1 1 . . B 685 LEU HA . 25599 1 952 . 2 2 81 81 LEU HB2 H 1 1.25 0.03 . 2 1 . . B 685 LEU HB2 . 25599 1 953 . 2 2 81 81 LEU HB3 H 1 2.07 0.03 . 2 1 . . B 685 LEU HB3 . 25599 1 954 . 2 2 81 81 LEU HG H 1 1.62 0.03 . 1 1 . . B 685 LEU HG . 25599 1 955 . 2 2 81 81 LEU HD11 H 1 0.81 0.03 . 2 1 . . B 685 LEU HD11 . 25599 1 956 . 2 2 81 81 LEU HD12 H 1 0.81 0.03 . 2 1 . . B 685 LEU HD12 . 25599 1 957 . 2 2 81 81 LEU HD13 H 1 0.81 0.03 . 2 1 . . B 685 LEU HD13 . 25599 1 958 . 2 2 81 81 LEU HD21 H 1 0.73 0.03 . 2 1 . . B 685 LEU HD21 . 25599 1 959 . 2 2 81 81 LEU HD22 H 1 0.73 0.03 . 2 1 . . B 685 LEU HD22 . 25599 1 960 . 2 2 81 81 LEU HD23 H 1 0.73 0.03 . 2 1 . . B 685 LEU HD23 . 25599 1 961 . 2 2 81 81 LEU C C 13 176.13 0.20 . 1 1 . . B 685 LEU C . 25599 1 962 . 2 2 81 81 LEU CA C 13 58.58 0.20 . 1 1 . . B 685 LEU CA . 25599 1 963 . 2 2 81 81 LEU CB C 13 42.45 0.20 . 1 1 . . B 685 LEU CB . 25599 1 964 . 2 2 81 81 LEU CG C 13 27.06 0.20 . 1 1 . . B 685 LEU CG . 25599 1 965 . 2 2 81 81 LEU CD1 C 13 26.75 0.20 . 2 1 . . B 685 LEU CD1 . 25599 1 966 . 2 2 81 81 LEU CD2 C 13 25.02 0.20 . 2 1 . . B 685 LEU CD2 . 25599 1 967 . 2 2 81 81 LEU N N 15 122.11 0.30 . 1 1 . . B 685 LEU N . 25599 1 968 . 2 2 82 82 ARG H H 1 7.76 0.03 . 1 1 . . B 686 ARG H . 25599 1 969 . 2 2 82 82 ARG HA H 1 4.00 0.03 . 1 1 . . B 686 ARG HA . 25599 1 970 . 2 2 82 82 ARG HB3 H 1 1.91 0.03 . 2 1 . . B 686 ARG HB3 . 25599 1 971 . 2 2 82 82 ARG HG2 H 1 1.45 0.03 . 2 1 . . B 686 ARG HG2 . 25599 1 972 . 2 2 82 82 ARG HG3 H 1 1.64 0.03 . 2 1 . . B 686 ARG HG3 . 25599 1 973 . 2 2 82 82 ARG HD3 H 1 3.16 0.03 . 2 1 . . B 686 ARG HD3 . 25599 1 974 . 2 2 82 82 ARG C C 13 179.24 0.20 . 1 1 . . B 686 ARG C . 25599 1 975 . 2 2 82 82 ARG CA C 13 59.41 0.20 . 1 1 . . B 686 ARG CA . 25599 1 976 . 2 2 82 82 ARG CB C 13 30.90 0.20 . 1 1 . . B 686 ARG CB . 25599 1 977 . 2 2 82 82 ARG CD C 13 43.87 0.20 . 1 1 . . B 686 ARG CD . 25599 1 978 . 2 2 82 82 ARG N N 15 112.01 0.30 . 1 1 . . B 686 ARG N . 25599 1 979 . 2 2 83 83 LYS H H 1 8.05 0.03 . 1 1 . . B 687 LYS H . 25599 1 980 . 2 2 83 83 LYS HA H 1 4.22 0.03 . 1 1 . . B 687 LYS HA . 25599 1 981 . 2 2 83 83 LYS HB3 H 1 1.84 0.03 . 2 1 . . B 687 LYS HB3 . 25599 1 982 . 2 2 83 83 LYS HG2 H 1 1.44 0.03 . 2 1 . . B 687 LYS HG2 . 25599 1 983 . 2 2 83 83 LYS HG3 H 1 1.56 0.03 . 2 1 . . B 687 LYS HG3 . 25599 1 984 . 2 2 83 83 LYS HD3 H 1 1.66 0.03 . 2 1 . . B 687 LYS HD3 . 25599 1 985 . 2 2 83 83 LYS HE3 H 1 2.98 0.03 . 2 1 . . B 687 LYS HE3 . 25599 1 986 . 2 2 83 83 LYS C C 13 176.80 0.20 . 1 1 . . B 687 LYS C . 25599 1 987 . 2 2 83 83 LYS CA C 13 58.15 0.20 . 1 1 . . B 687 LYS CA . 25599 1 988 . 2 2 83 83 LYS CB C 13 34.22 0.20 . 1 1 . . B 687 LYS CB . 25599 1 989 . 2 2 83 83 LYS CG C 13 26.19 0.20 . 1 1 . . B 687 LYS CG . 25599 1 990 . 2 2 83 83 LYS CD C 13 29.09 0.20 . 1 1 . . B 687 LYS CD . 25599 1 991 . 2 2 83 83 LYS CE C 13 42.26 0.20 . 1 1 . . B 687 LYS CE . 25599 1 992 . 2 2 83 83 LYS N N 15 115.46 0.30 . 1 1 . . B 687 LYS N . 25599 1 993 . 2 2 84 84 ASN H H 1 8.42 0.03 . 1 1 . . B 688 ASN H . 25599 1 994 . 2 2 84 84 ASN HA H 1 5.36 0.03 . 1 1 . . B 688 ASN HA . 25599 1 995 . 2 2 84 84 ASN HB2 H 1 2.53 0.03 . 2 1 . . B 688 ASN HB2 . 25599 1 996 . 2 2 84 84 ASN HB3 H 1 3.03 0.03 . 2 1 . . B 688 ASN HB3 . 25599 1 997 . 2 2 84 84 ASN HD21 H 1 7.67 0.03 . 2 1 . . B 688 ASN HD21 . 25599 1 998 . 2 2 84 84 ASN HD22 H 1 6.74 0.03 . 2 1 . . B 688 ASN HD22 . 25599 1 999 . 2 2 84 84 ASN C C 13 172.75 0.20 . 1 1 . . B 688 ASN C . 25599 1 1000 . 2 2 84 84 ASN CA C 13 51.31 0.20 . 1 1 . . B 688 ASN CA . 25599 1 1001 . 2 2 84 84 ASN CB C 13 40.12 0.20 . 1 1 . . B 688 ASN CB . 25599 1 1002 . 2 2 84 84 ASN N N 15 114.76 0.30 . 1 1 . . B 688 ASN N . 25599 1 1003 . 2 2 84 84 ASN ND2 N 15 110.90 0.30 . 1 1 . . B 688 ASN ND2 . 25599 1 1004 . 2 2 85 85 PRO HA H 1 4.40 0.03 . 1 1 . . B 689 PRO HA . 25599 1 1005 . 2 2 85 85 PRO HB2 H 1 1.78 0.03 . 2 1 . . B 689 PRO HB2 . 25599 1 1006 . 2 2 85 85 PRO HB3 H 1 2.88 0.03 . 2 1 . . B 689 PRO HB3 . 25599 1 1007 . 2 2 85 85 PRO HG2 H 1 2.01 0.03 . 2 1 . . B 689 PRO HG2 . 25599 1 1008 . 2 2 85 85 PRO HG3 H 1 2.15 0.03 . 2 1 . . B 689 PRO HG3 . 25599 1 1009 . 2 2 85 85 PRO HD2 H 1 3.65 0.03 . 2 1 . . B 689 PRO HD2 . 25599 1 1010 . 2 2 85 85 PRO HD3 H 1 3.90 0.03 . 2 1 . . B 689 PRO HD3 . 25599 1 1011 . 2 2 85 85 PRO C C 13 177.77 0.20 . 1 1 . . B 689 PRO C . 25599 1 1012 . 2 2 85 85 PRO CA C 13 66.36 0.20 . 1 1 . . B 689 PRO CA . 25599 1 1013 . 2 2 85 85 PRO CB C 13 31.02 0.20 . 1 1 . . B 689 PRO CB . 25599 1 1014 . 2 2 85 85 PRO CD C 13 50.83 0.20 . 1 1 . . B 689 PRO CD . 25599 1 1015 . 2 2 86 86 SER H H 1 8.72 0.03 . 1 1 . . B 690 SER H . 25599 1 1016 . 2 2 86 86 SER HA H 1 4.05 0.03 . 1 1 . . B 690 SER HA . 25599 1 1017 . 2 2 86 86 SER HB2 H 1 3.82 0.03 . 2 1 . . B 690 SER HB2 . 25599 1 1018 . 2 2 86 86 SER HB3 H 1 3.94 0.03 . 2 1 . . B 690 SER HB3 . 25599 1 1019 . 2 2 86 86 SER C C 13 175.38 0.20 . 1 1 . . B 690 SER C . 25599 1 1020 . 2 2 86 86 SER CA C 13 61.92 0.20 . 1 1 . . B 690 SER CA . 25599 1 1021 . 2 2 86 86 SER CB C 13 62.19 0.20 . 1 1 . . B 690 SER CB . 25599 1 1022 . 2 2 86 86 SER N N 15 111.21 0.30 . 1 1 . . B 690 SER N . 25599 1 1023 . 2 2 87 87 ILE H H 1 6.96 0.03 . 1 1 . . B 691 ILE H . 25599 1 1024 . 2 2 87 87 ILE HA H 1 4.21 0.03 . 1 1 . . B 691 ILE HA . 25599 1 1025 . 2 2 87 87 ILE HB H 1 1.80 0.03 . 1 1 . . B 691 ILE HB . 25599 1 1026 . 2 2 87 87 ILE HG12 H 1 1.34 0.03 . 2 1 . . B 691 ILE HG12 . 25599 1 1027 . 2 2 87 87 ILE HG13 H 1 1.54 0.03 . 2 1 . . B 691 ILE HG13 . 25599 1 1028 . 2 2 87 87 ILE HG21 H 1 0.88 0.03 . 1 1 . . B 691 ILE HG21 . 25599 1 1029 . 2 2 87 87 ILE HG22 H 1 0.88 0.03 . 1 1 . . B 691 ILE HG22 . 25599 1 1030 . 2 2 87 87 ILE HG23 H 1 0.88 0.03 . 1 1 . . B 691 ILE HG23 . 25599 1 1031 . 2 2 87 87 ILE HD11 H 1 0.83 0.03 . 1 1 . . B 691 ILE HD11 . 25599 1 1032 . 2 2 87 87 ILE HD12 H 1 0.83 0.03 . 1 1 . . B 691 ILE HD12 . 25599 1 1033 . 2 2 87 87 ILE HD13 H 1 0.83 0.03 . 1 1 . . B 691 ILE HD13 . 25599 1 1034 . 2 2 87 87 ILE C C 13 177.57 0.20 . 1 1 . . B 691 ILE C . 25599 1 1035 . 2 2 87 87 ILE CA C 13 60.90 0.20 . 1 1 . . B 691 ILE CA . 25599 1 1036 . 2 2 87 87 ILE CB C 13 39.03 0.20 . 1 1 . . B 691 ILE CB . 25599 1 1037 . 2 2 87 87 ILE CG1 C 13 27.71 0.20 . 1 1 . . B 691 ILE CG1 . 25599 1 1038 . 2 2 87 87 ILE CG2 C 13 18.06 0.20 . 1 1 . . B 691 ILE CG2 . 25599 1 1039 . 2 2 87 87 ILE CD1 C 13 11.83 0.20 . 1 1 . . B 691 ILE CD1 . 25599 1 1040 . 2 2 87 87 ILE N N 15 117.81 0.30 . 1 1 . . B 691 ILE N . 25599 1 1041 . 2 2 88 88 ALA H H 1 8.37 0.03 . 1 1 . . B 692 ALA H . 25599 1 1042 . 2 2 88 88 ALA HA H 1 4.05 0.03 . 1 1 . . B 692 ALA HA . 25599 1 1043 . 2 2 88 88 ALA HB1 H 1 1.25 0.03 . 1 1 . . B 692 ALA HB1 . 25599 1 1044 . 2 2 88 88 ALA HB2 H 1 1.25 0.03 . 1 1 . . B 692 ALA HB2 . 25599 1 1045 . 2 2 88 88 ALA HB3 H 1 1.25 0.03 . 1 1 . . B 692 ALA HB3 . 25599 1 1046 . 2 2 88 88 ALA C C 13 178.21 0.20 . 1 1 . . B 692 ALA C . 25599 1 1047 . 2 2 88 88 ALA CA C 13 55.07 0.20 . 1 1 . . B 692 ALA CA . 25599 1 1048 . 2 2 88 88 ALA CB C 13 21.47 0.20 . 1 1 . . B 692 ALA CB . 25599 1 1049 . 2 2 88 88 ALA N N 15 119.63 0.30 . 1 1 . . B 692 ALA N . 25599 1 1050 . 2 2 89 89 VAL H H 1 9.08 0.03 . 1 1 . . B 693 VAL H . 25599 1 1051 . 2 2 89 89 VAL HA H 1 3.57 0.03 . 1 1 . . B 693 VAL HA . 25599 1 1052 . 2 2 89 89 VAL HB H 1 2.42 0.03 . 1 1 . . B 693 VAL HB . 25599 1 1053 . 2 2 89 89 VAL HG11 H 1 1.03 0.03 . 2 1 . . B 693 VAL HG11 . 25599 1 1054 . 2 2 89 89 VAL HG12 H 1 1.03 0.03 . 2 1 . . B 693 VAL HG12 . 25599 1 1055 . 2 2 89 89 VAL HG13 H 1 1.03 0.03 . 2 1 . . B 693 VAL HG13 . 25599 1 1056 . 2 2 89 89 VAL HG21 H 1 0.86 0.03 . 2 1 . . B 693 VAL HG21 . 25599 1 1057 . 2 2 89 89 VAL HG22 H 1 0.86 0.03 . 2 1 . . B 693 VAL HG22 . 25599 1 1058 . 2 2 89 89 VAL HG23 H 1 0.86 0.03 . 2 1 . . B 693 VAL HG23 . 25599 1 1059 . 2 2 89 89 VAL C C 13 174.92 0.20 . 1 1 . . B 693 VAL C . 25599 1 1060 . 2 2 89 89 VAL CA C 13 69.36 0.20 . 1 1 . . B 693 VAL CA . 25599 1 1061 . 2 2 89 89 VAL CB C 13 28.69 0.20 . 1 1 . . B 693 VAL CB . 25599 1 1062 . 2 2 89 89 VAL CG1 C 13 25.28 0.20 . 2 1 . . B 693 VAL CG1 . 25599 1 1063 . 2 2 89 89 VAL CG2 C 13 22.10 0.20 . 2 1 . . B 693 VAL CG2 . 25599 1 1064 . 2 2 89 89 VAL N N 15 116.15 0.30 . 1 1 . . B 693 VAL N . 25599 1 1065 . 2 2 90 90 PRO HA H 1 4.20 0.03 . 1 1 . . B 694 PRO HA . 25599 1 1066 . 2 2 90 90 PRO HB2 H 1 1.88 0.03 . 2 1 . . B 694 PRO HB2 . 25599 1 1067 . 2 2 90 90 PRO HB3 H 1 2.32 0.03 . 2 1 . . B 694 PRO HB3 . 25599 1 1068 . 2 2 90 90 PRO HG2 H 1 2.00 0.03 . 2 1 . . B 694 PRO HG2 . 25599 1 1069 . 2 2 90 90 PRO HG3 H 1 2.16 0.03 . 2 1 . . B 694 PRO HG3 . 25599 1 1070 . 2 2 90 90 PRO HD2 H 1 3.43 0.03 . 2 1 . . B 694 PRO HD2 . 25599 1 1071 . 2 2 90 90 PRO HD3 H 1 3.58 0.03 . 2 1 . . B 694 PRO HD3 . 25599 1 1072 . 2 2 90 90 PRO C C 13 179.74 0.20 . 1 1 . . B 694 PRO C . 25599 1 1073 . 2 2 90 90 PRO CA C 13 66.02 0.20 . 1 1 . . B 694 PRO CA . 25599 1 1074 . 2 2 90 90 PRO CB C 13 31.24 0.20 . 1 1 . . B 694 PRO CB . 25599 1 1075 . 2 2 90 90 PRO CG C 13 28.40 0.20 . 1 1 . . B 694 PRO CG . 25599 1 1076 . 2 2 90 90 PRO CD C 13 49.70 0.20 . 1 1 . . B 694 PRO CD . 25599 1 1077 . 2 2 91 91 ILE H H 1 6.51 0.03 . 1 1 . . B 695 ILE H . 25599 1 1078 . 2 2 91 91 ILE HA H 1 3.78 0.03 . 1 1 . . B 695 ILE HA . 25599 1 1079 . 2 2 91 91 ILE HB H 1 2.02 0.03 . 1 1 . . B 695 ILE HB . 25599 1 1080 . 2 2 91 91 ILE HG12 H 1 1.34 0.03 . 2 1 . . B 695 ILE HG12 . 25599 1 1081 . 2 2 91 91 ILE HG13 H 1 1.74 0.03 . 2 1 . . B 695 ILE HG13 . 25599 1 1082 . 2 2 91 91 ILE HG21 H 1 0.91 0.03 . 1 1 . . B 695 ILE HG21 . 25599 1 1083 . 2 2 91 91 ILE HG22 H 1 0.91 0.03 . 1 1 . . B 695 ILE HG22 . 25599 1 1084 . 2 2 91 91 ILE HG23 H 1 0.91 0.03 . 1 1 . . B 695 ILE HG23 . 25599 1 1085 . 2 2 91 91 ILE HD11 H 1 0.88 0.03 . 1 1 . . B 695 ILE HD11 . 25599 1 1086 . 2 2 91 91 ILE HD12 H 1 0.88 0.03 . 1 1 . . B 695 ILE HD12 . 25599 1 1087 . 2 2 91 91 ILE HD13 H 1 0.88 0.03 . 1 1 . . B 695 ILE HD13 . 25599 1 1088 . 2 2 91 91 ILE C C 13 177.60 0.20 . 1 1 . . B 695 ILE C . 25599 1 1089 . 2 2 91 91 ILE CA C 13 64.37 0.20 . 1 1 . . B 695 ILE CA . 25599 1 1090 . 2 2 91 91 ILE CB C 13 38.66 0.20 . 1 1 . . B 695 ILE CB . 25599 1 1091 . 2 2 91 91 ILE CG1 C 13 28.45 0.20 . 1 1 . . B 695 ILE CG1 . 25599 1 1092 . 2 2 91 91 ILE CG2 C 13 16.68 0.20 . 1 1 . . B 695 ILE CG2 . 25599 1 1093 . 2 2 91 91 ILE CD1 C 13 14.10 0.20 . 1 1 . . B 695 ILE CD1 . 25599 1 1094 . 2 2 91 91 ILE N N 15 115.54 0.30 . 1 1 . . B 695 ILE N . 25599 1 1095 . 2 2 92 92 VAL H H 1 8.14 0.03 . 1 1 . . B 696 VAL H . 25599 1 1096 . 2 2 92 92 VAL HA H 1 3.77 0.03 . 1 1 . . B 696 VAL HA . 25599 1 1097 . 2 2 92 92 VAL HB H 1 1.98 0.03 . 1 1 . . B 696 VAL HB . 25599 1 1098 . 2 2 92 92 VAL HG11 H 1 1.04 0.03 . 2 1 . . B 696 VAL HG11 . 25599 1 1099 . 2 2 92 92 VAL HG12 H 1 1.04 0.03 . 2 1 . . B 696 VAL HG12 . 25599 1 1100 . 2 2 92 92 VAL HG13 H 1 1.04 0.03 . 2 1 . . B 696 VAL HG13 . 25599 1 1101 . 2 2 92 92 VAL HG21 H 1 0.99 0.03 . 2 1 . . B 696 VAL HG21 . 25599 1 1102 . 2 2 92 92 VAL HG22 H 1 0.99 0.03 . 2 1 . . B 696 VAL HG22 . 25599 1 1103 . 2 2 92 92 VAL HG23 H 1 0.99 0.03 . 2 1 . . B 696 VAL HG23 . 25599 1 1104 . 2 2 92 92 VAL C C 13 178.41 0.20 . 1 1 . . B 696 VAL C . 25599 1 1105 . 2 2 92 92 VAL CA C 13 66.27 0.20 . 1 1 . . B 696 VAL CA . 25599 1 1106 . 2 2 92 92 VAL CB C 13 32.12 0.20 . 1 1 . . B 696 VAL CB . 25599 1 1107 . 2 2 92 92 VAL CG1 C 13 23.54 0.20 . 2 1 . . B 696 VAL CG1 . 25599 1 1108 . 2 2 92 92 VAL CG2 C 13 23.14 0.20 . 2 1 . . B 696 VAL CG2 . 25599 1 1109 . 2 2 92 92 VAL N N 15 119.74 0.30 . 1 1 . . B 696 VAL N . 25599 1 1110 . 2 2 93 93 LEU H H 1 8.74 0.03 . 1 1 . . B 697 LEU H . 25599 1 1111 . 2 2 93 93 LEU HA H 1 3.92 0.03 . 1 1 . . B 697 LEU HA . 25599 1 1112 . 2 2 93 93 LEU HB3 H 1 1.67 0.03 . 2 1 . . B 697 LEU HB3 . 25599 1 1113 . 2 2 93 93 LEU HG H 1 1.62 0.03 . 1 1 . . B 697 LEU HG . 25599 1 1114 . 2 2 93 93 LEU HD11 H 1 0.91 0.03 . 2 1 . . B 697 LEU HD11 . 25599 1 1115 . 2 2 93 93 LEU HD12 H 1 0.91 0.03 . 2 1 . . B 697 LEU HD12 . 25599 1 1116 . 2 2 93 93 LEU HD13 H 1 0.91 0.03 . 2 1 . . B 697 LEU HD13 . 25599 1 1117 . 2 2 93 93 LEU HD21 H 1 0.85 0.03 . 2 1 . . B 697 LEU HD21 . 25599 1 1118 . 2 2 93 93 LEU HD22 H 1 0.85 0.03 . 2 1 . . B 697 LEU HD22 . 25599 1 1119 . 2 2 93 93 LEU HD23 H 1 0.85 0.03 . 2 1 . . B 697 LEU HD23 . 25599 1 1120 . 2 2 93 93 LEU C C 13 178.02 0.20 . 1 1 . . B 697 LEU C . 25599 1 1121 . 2 2 93 93 LEU CA C 13 58.73 0.20 . 1 1 . . B 697 LEU CA . 25599 1 1122 . 2 2 93 93 LEU CB C 13 42.75 0.20 . 1 1 . . B 697 LEU CB . 25599 1 1123 . 2 2 93 93 LEU CD1 C 13 25.50 0.20 . 2 1 . . B 697 LEU CD1 . 25599 1 1124 . 2 2 93 93 LEU CD2 C 13 25.91 0.20 . 2 1 . . B 697 LEU CD2 . 25599 1 1125 . 2 2 93 93 LEU N N 15 119.68 0.30 . 1 1 . . B 697 LEU N . 25599 1 1126 . 2 2 94 94 LYS H H 1 7.35 0.03 . 1 1 . . B 698 LYS H . 25599 1 1127 . 2 2 94 94 LYS HA H 1 3.96 0.03 . 1 1 . . B 698 LYS HA . 25599 1 1128 . 2 2 94 94 LYS HB3 H 1 1.96 0.03 . 2 1 . . B 698 LYS HB3 . 25599 1 1129 . 2 2 94 94 LYS HG3 H 1 1.38 0.03 . 2 1 . . B 698 LYS HG3 . 25599 1 1130 . 2 2 94 94 LYS HD3 H 1 1.69 0.03 . 2 1 . . B 698 LYS HD3 . 25599 1 1131 . 2 2 94 94 LYS HE3 H 1 2.98 0.03 . 2 1 . . B 698 LYS HE3 . 25599 1 1132 . 2 2 94 94 LYS C C 13 179.71 0.20 . 1 1 . . B 698 LYS C . 25599 1 1133 . 2 2 94 94 LYS CA C 13 59.81 0.20 . 1 1 . . B 698 LYS CA . 25599 1 1134 . 2 2 94 94 LYS CB C 13 32.11 0.20 . 1 1 . . B 698 LYS CB . 25599 1 1135 . 2 2 94 94 LYS CG C 13 25.25 0.20 . 1 1 . . B 698 LYS CG . 25599 1 1136 . 2 2 94 94 LYS CD C 13 29.43 0.20 . 1 1 . . B 698 LYS CD . 25599 1 1137 . 2 2 94 94 LYS CE C 13 41.99 0.20 . 1 1 . . B 698 LYS CE . 25599 1 1138 . 2 2 94 94 LYS N N 15 115.97 0.30 . 1 1 . . B 698 LYS N . 25599 1 1139 . 2 2 95 95 ARG H H 1 7.46 0.03 . 1 1 . . B 699 ARG H . 25599 1 1140 . 2 2 95 95 ARG HA H 1 3.92 0.03 . 1 1 . . B 699 ARG HA . 25599 1 1141 . 2 2 95 95 ARG HB3 H 1 2.31 0.03 . 2 1 . . B 699 ARG HB3 . 25599 1 1142 . 2 2 95 95 ARG HG3 H 1 1.67 0.03 . 2 1 . . B 699 ARG HG3 . 25599 1 1143 . 2 2 95 95 ARG HD2 H 1 2.79 0.03 . 2 1 . . B 699 ARG HD2 . 25599 1 1144 . 2 2 95 95 ARG HD3 H 1 3.11 0.03 . 2 1 . . B 699 ARG HD3 . 25599 1 1145 . 2 2 95 95 ARG C C 13 178.66 0.20 . 1 1 . . B 699 ARG C . 25599 1 1146 . 2 2 95 95 ARG CA C 13 57.16 0.20 . 1 1 . . B 699 ARG CA . 25599 1 1147 . 2 2 95 95 ARG CB C 13 30.03 0.20 . 1 1 . . B 699 ARG CB . 25599 1 1148 . 2 2 95 95 ARG CD C 13 42.90 0.20 . 1 1 . . B 699 ARG CD . 25599 1 1149 . 2 2 95 95 ARG N N 15 115.57 0.30 . 1 1 . . B 699 ARG N . 25599 1 1150 . 2 2 96 96 LEU H H 1 8.50 0.03 . 1 1 . . B 700 LEU H . 25599 1 1151 . 2 2 96 96 LEU HA H 1 3.97 0.03 . 1 1 . . B 700 LEU HA . 25599 1 1152 . 2 2 96 96 LEU HB2 H 1 1.68 0.03 . 2 1 . . B 700 LEU HB2 . 25599 1 1153 . 2 2 96 96 LEU HB3 H 1 1.76 0.03 . 2 1 . . B 700 LEU HB3 . 25599 1 1154 . 2 2 96 96 LEU HG H 1 2.02 0.03 . 1 1 . . B 700 LEU HG . 25599 1 1155 . 2 2 96 96 LEU HD11 H 1 0.97 0.03 . 2 1 . . B 700 LEU HD11 . 25599 1 1156 . 2 2 96 96 LEU HD12 H 1 0.97 0.03 . 2 1 . . B 700 LEU HD12 . 25599 1 1157 . 2 2 96 96 LEU HD13 H 1 0.97 0.03 . 2 1 . . B 700 LEU HD13 . 25599 1 1158 . 2 2 96 96 LEU HD21 H 1 0.82 0.03 . 2 1 . . B 700 LEU HD21 . 25599 1 1159 . 2 2 96 96 LEU HD22 H 1 0.82 0.03 . 2 1 . . B 700 LEU HD22 . 25599 1 1160 . 2 2 96 96 LEU HD23 H 1 0.82 0.03 . 2 1 . . B 700 LEU HD23 . 25599 1 1161 . 2 2 96 96 LEU C C 13 180.94 0.20 . 1 1 . . B 700 LEU C . 25599 1 1162 . 2 2 96 96 LEU CA C 13 58.38 0.20 . 1 1 . . B 700 LEU CA . 25599 1 1163 . 2 2 96 96 LEU CB C 13 41.52 0.20 . 1 1 . . B 700 LEU CB . 25599 1 1164 . 2 2 96 96 LEU CG C 13 27.03 0.20 . 1 1 . . B 700 LEU CG . 25599 1 1165 . 2 2 96 96 LEU CD1 C 13 22.47 0.20 . 2 1 . . B 700 LEU CD1 . 25599 1 1166 . 2 2 96 96 LEU CD2 C 13 28.20 0.20 . 2 1 . . B 700 LEU CD2 . 25599 1 1167 . 2 2 96 96 LEU N N 15 117.56 0.30 . 1 1 . . B 700 LEU N . 25599 1 1168 . 2 2 97 97 LYS H H 1 8.42 0.03 . 1 1 . . B 701 LYS H . 25599 1 1169 . 2 2 97 97 LYS HA H 1 3.96 0.03 . 1 1 . . B 701 LYS HA . 25599 1 1170 . 2 2 97 97 LYS HB3 H 1 1.87 0.03 . 2 1 . . B 701 LYS HB3 . 25599 1 1171 . 2 2 97 97 LYS HG3 H 1 1.36 0.03 . 2 1 . . B 701 LYS HG3 . 25599 1 1172 . 2 2 97 97 LYS HD3 H 1 1.56 0.03 . 2 1 . . B 701 LYS HD3 . 25599 1 1173 . 2 2 97 97 LYS HE3 H 1 2.86 0.03 . 2 1 . . B 701 LYS HE3 . 25599 1 1174 . 2 2 97 97 LYS C C 13 179.06 0.20 . 1 1 . . B 701 LYS C . 25599 1 1175 . 2 2 97 97 LYS CA C 13 59.78 0.20 . 1 1 . . B 701 LYS CA . 25599 1 1176 . 2 2 97 97 LYS CB C 13 32.25 0.20 . 1 1 . . B 701 LYS CB . 25599 1 1177 . 2 2 97 97 LYS CG C 13 25.48 0.20 . 1 1 . . B 701 LYS CG . 25599 1 1178 . 2 2 97 97 LYS CD C 13 28.96 0.20 . 1 1 . . B 701 LYS CD . 25599 1 1179 . 2 2 97 97 LYS CE C 13 42.20 0.20 . 1 1 . . B 701 LYS CE . 25599 1 1180 . 2 2 97 97 LYS N N 15 118.49 0.30 . 1 1 . . B 701 LYS N . 25599 1 1181 . 2 2 98 98 MET H H 1 7.87 0.03 . 1 1 . . B 702 MET H . 25599 1 1182 . 2 2 98 98 MET HA H 1 4.14 0.03 . 1 1 . . B 702 MET HA . 25599 1 1183 . 2 2 98 98 MET HB3 H 1 2.20 0.03 . 2 1 . . B 702 MET HB3 . 25599 1 1184 . 2 2 98 98 MET HG2 H 1 2.52 0.03 . 2 1 . . B 702 MET HG2 . 25599 1 1185 . 2 2 98 98 MET HG3 H 1 2.73 0.03 . 2 1 . . B 702 MET HG3 . 25599 1 1186 . 2 2 98 98 MET HE1 H 1 2.06 0.03 . 1 1 . . B 702 MET HE1 . 25599 1 1187 . 2 2 98 98 MET HE2 H 1 2.06 0.03 . 1 1 . . B 702 MET HE2 . 25599 1 1188 . 2 2 98 98 MET HE3 H 1 2.06 0.03 . 1 1 . . B 702 MET HE3 . 25599 1 1189 . 2 2 98 98 MET C C 13 179.43 0.20 . 1 1 . . B 702 MET C . 25599 1 1190 . 2 2 98 98 MET CA C 13 59.04 0.20 . 1 1 . . B 702 MET CA . 25599 1 1191 . 2 2 98 98 MET CB C 13 32.61 0.20 . 1 1 . . B 702 MET CB . 25599 1 1192 . 2 2 98 98 MET CG C 13 31.96 0.20 . 1 1 . . B 702 MET CG . 25599 1 1193 . 2 2 98 98 MET CE C 13 17.26 0.20 . 1 1 . . B 702 MET CE . 25599 1 1194 . 2 2 98 98 MET N N 15 120.68 0.30 . 1 1 . . B 702 MET N . 25599 1 1195 . 2 2 99 99 LYS HA H 1 3.40 0.03 . 1 1 . . B 703 LYS HA . 25599 1 1196 . 2 2 99 99 LYS HB2 H 1 1.19 0.03 . 2 1 . . B 703 LYS HB2 . 25599 1 1197 . 2 2 99 99 LYS HB3 H 1 1.28 0.03 . 2 1 . . B 703 LYS HB3 . 25599 1 1198 . 2 2 99 99 LYS HG3 H 1 1.40 0.03 . 2 1 . . B 703 LYS HG3 . 25599 1 1199 . 2 2 99 99 LYS HE2 H 1 2.75 0.03 . 2 1 . . B 703 LYS HE2 . 25599 1 1200 . 2 2 99 99 LYS HE3 H 1 2.89 0.03 . 2 1 . . B 703 LYS HE3 . 25599 1 1201 . 2 2 99 99 LYS C C 13 176.46 0.20 . 1 1 . . B 703 LYS C . 25599 1 1202 . 2 2 99 99 LYS CA C 13 56.39 0.20 . 1 1 . . B 703 LYS CA . 25599 1 1203 . 2 2 99 99 LYS CB C 13 28.87 0.20 . 1 1 . . B 703 LYS CB . 25599 1 1204 . 2 2 99 99 LYS CG C 13 27.34 0.20 . 1 1 . . B 703 LYS CG . 25599 1 1205 . 2 2 99 99 LYS CE C 13 42.45 0.20 . 1 1 . . B 703 LYS CE . 25599 1 1206 . 2 2 100 100 GLU H H 1 7.75 0.03 . 1 1 . . B 704 GLU H . 25599 1 1207 . 2 2 100 100 GLU HA H 1 3.81 0.03 . 1 1 . . B 704 GLU HA . 25599 1 1208 . 2 2 100 100 GLU HB3 H 1 1.90 0.03 . 2 1 . . B 704 GLU HB3 . 25599 1 1209 . 2 2 100 100 GLU HG3 H 1 2.19 0.03 . 2 1 . . B 704 GLU HG3 . 25599 1 1210 . 2 2 100 100 GLU C C 13 177.63 0.20 . 1 1 . . B 704 GLU C . 25599 1 1211 . 2 2 100 100 GLU CA C 13 59.80 0.20 . 1 1 . . B 704 GLU CA . 25599 1 1212 . 2 2 100 100 GLU CB C 13 29.06 0.20 . 1 1 . . B 704 GLU CB . 25599 1 1213 . 2 2 100 100 GLU CG C 13 35.83 0.20 . 1 1 . . B 704 GLU CG . 25599 1 1214 . 2 2 100 100 GLU N N 15 118.27 0.30 . 1 1 . . B 704 GLU N . 25599 1 1215 . 2 2 101 101 GLU H H 1 7.30 0.03 . 1 1 . . B 705 GLU H . 25599 1 1216 . 2 2 101 101 GLU HA H 1 4.02 0.03 . 1 1 . . B 705 GLU HA . 25599 1 1217 . 2 2 101 101 GLU HB3 H 1 2.10 0.03 . 2 1 . . B 705 GLU HB3 . 25599 1 1218 . 2 2 101 101 GLU HG2 H 1 2.29 0.03 . 2 1 . . B 705 GLU HG2 . 25599 1 1219 . 2 2 101 101 GLU HG3 H 1 2.43 0.03 . 2 1 . . B 705 GLU HG3 . 25599 1 1220 . 2 2 101 101 GLU C C 13 179.21 0.20 . 1 1 . . B 705 GLU C . 25599 1 1221 . 2 2 101 101 GLU CA C 13 59.50 0.20 . 1 1 . . B 705 GLU CA . 25599 1 1222 . 2 2 101 101 GLU CB C 13 29.47 0.20 . 1 1 . . B 705 GLU CB . 25599 1 1223 . 2 2 101 101 GLU CG C 13 36.40 0.20 . 1 1 . . B 705 GLU CG . 25599 1 1224 . 2 2 101 101 GLU N N 15 115.68 0.30 . 1 1 . . B 705 GLU N . 25599 1 1225 . 2 2 102 102 GLU H H 1 7.62 0.03 . 1 1 . . B 706 GLU H . 25599 1 1226 . 2 2 102 102 GLU HA H 1 4.02 0.03 . 1 1 . . B 706 GLU HA . 25599 1 1227 . 2 2 102 102 GLU HB2 H 1 1.93 0.03 . 2 1 . . B 706 GLU HB2 . 25599 1 1228 . 2 2 102 102 GLU HB3 H 1 2.01 0.03 . 2 1 . . B 706 GLU HB3 . 25599 1 1229 . 2 2 102 102 GLU HG2 H 1 2.15 0.03 . 2 1 . . B 706 GLU HG2 . 25599 1 1230 . 2 2 102 102 GLU HG3 H 1 2.42 0.03 . 2 1 . . B 706 GLU HG3 . 25599 1 1231 . 2 2 102 102 GLU C C 13 180.15 0.20 . 1 1 . . B 706 GLU C . 25599 1 1232 . 2 2 102 102 GLU CA C 13 59.46 0.20 . 1 1 . . B 706 GLU CA . 25599 1 1233 . 2 2 102 102 GLU CB C 13 30.06 0.20 . 1 1 . . B 706 GLU CB . 25599 1 1234 . 2 2 102 102 GLU CG C 13 36.33 0.20 . 1 1 . . B 706 GLU CG . 25599 1 1235 . 2 2 102 102 GLU N N 15 120.40 0.30 . 1 1 . . B 706 GLU N . 25599 1 1236 . 2 2 103 103 TRP H H 1 9.22 0.03 . 1 1 . . B 707 TRP H . 25599 1 1237 . 2 2 103 103 TRP HA H 1 4.71 0.03 . 1 1 . . B 707 TRP HA . 25599 1 1238 . 2 2 103 103 TRP HB2 H 1 3.08 0.03 . 2 1 . . B 707 TRP HB2 . 25599 1 1239 . 2 2 103 103 TRP HB3 H 1 3.53 0.03 . 2 1 . . B 707 TRP HB3 . 25599 1 1240 . 2 2 103 103 TRP HD1 H 1 6.97 0.03 . 1 1 . . B 707 TRP HD1 . 25599 1 1241 . 2 2 103 103 TRP HE1 H 1 9.81 0.03 . 1 1 . . B 707 TRP HE1 . 25599 1 1242 . 2 2 103 103 TRP HE3 H 1 7.20 0.03 . 1 1 . . B 707 TRP HE3 . 25599 1 1243 . 2 2 103 103 TRP HZ2 H 1 7.96 0.03 . 1 1 . . B 707 TRP HZ2 . 25599 1 1244 . 2 2 103 103 TRP HZ3 H 1 6.69 0.03 . 1 1 . . B 707 TRP HZ3 . 25599 1 1245 . 2 2 103 103 TRP HH2 H 1 7.11 0.03 . 1 1 . . B 707 TRP HH2 . 25599 1 1246 . 2 2 103 103 TRP C C 13 178.90 0.20 . 1 1 . . B 707 TRP C . 25599 1 1247 . 2 2 103 103 TRP CA C 13 57.71 0.20 . 1 1 . . B 707 TRP CA . 25599 1 1248 . 2 2 103 103 TRP CB C 13 28.99 0.20 . 1 1 . . B 707 TRP CB . 25599 1 1249 . 2 2 103 103 TRP CD1 C 13 123.17 0.20 . 1 1 . . B 707 TRP CD1 . 25599 1 1250 . 2 2 103 103 TRP CE3 C 13 120.16 0.20 . 1 1 . . B 707 TRP CE3 . 25599 1 1251 . 2 2 103 103 TRP CZ2 C 13 114.12 0.20 . 1 1 . . B 707 TRP CZ2 . 25599 1 1252 . 2 2 103 103 TRP CZ3 C 13 122.25 0.20 . 1 1 . . B 707 TRP CZ3 . 25599 1 1253 . 2 2 103 103 TRP CH2 C 13 124.71 0.20 . 1 1 . . B 707 TRP CH2 . 25599 1 1254 . 2 2 103 103 TRP N N 15 122.11 0.30 . 1 1 . . B 707 TRP N . 25599 1 1255 . 2 2 103 103 TRP NE1 N 15 125.21 0.30 . 1 1 . . B 707 TRP NE1 . 25599 1 1256 . 2 2 104 104 ARG H H 1 8.96 0.03 . 1 1 . . B 708 ARG H . 25599 1 1257 . 2 2 104 104 ARG HA H 1 4.14 0.03 . 1 1 . . B 708 ARG HA . 25599 1 1258 . 2 2 104 104 ARG HB2 H 1 1.91 0.03 . 2 1 . . B 708 ARG HB2 . 25599 1 1259 . 2 2 104 104 ARG HB3 H 1 2.16 0.03 . 2 1 . . B 708 ARG HB3 . 25599 1 1260 . 2 2 104 104 ARG HG2 H 1 1.83 0.03 . 2 1 . . B 708 ARG HG2 . 25599 1 1261 . 2 2 104 104 ARG HG3 H 1 1.99 0.03 . 2 1 . . B 708 ARG HG3 . 25599 1 1262 . 2 2 104 104 ARG HD2 H 1 3.21 0.03 . 2 1 . . B 708 ARG HD2 . 25599 1 1263 . 2 2 104 104 ARG HD3 H 1 3.29 0.03 . 2 1 . . B 708 ARG HD3 . 25599 1 1264 . 2 2 104 104 ARG C C 13 179.68 0.20 . 1 1 . . B 708 ARG C . 25599 1 1265 . 2 2 104 104 ARG CA C 13 59.33 0.20 . 1 1 . . B 708 ARG CA . 25599 1 1266 . 2 2 104 104 ARG CB C 13 29.47 0.20 . 1 1 . . B 708 ARG CB . 25599 1 1267 . 2 2 104 104 ARG CG C 13 28.24 0.20 . 1 1 . . B 708 ARG CG . 25599 1 1268 . 2 2 104 104 ARG CD C 13 43.02 0.20 . 1 1 . . B 708 ARG CD . 25599 1 1269 . 2 2 104 104 ARG N N 15 119.90 0.30 . 1 1 . . B 708 ARG N . 25599 1 1270 . 2 2 105 105 GLU H H 1 7.78 0.03 . 1 1 . . B 709 GLU H . 25599 1 1271 . 2 2 105 105 GLU HA H 1 4.17 0.03 . 1 1 . . B 709 GLU HA . 25599 1 1272 . 2 2 105 105 GLU HB3 H 1 2.19 0.03 . 2 1 . . B 709 GLU HB3 . 25599 1 1273 . 2 2 105 105 GLU HG3 H 1 2.36 0.03 . 2 1 . . B 709 GLU HG3 . 25599 1 1274 . 2 2 105 105 GLU C C 13 179.15 0.20 . 1 1 . . B 709 GLU C . 25599 1 1275 . 2 2 105 105 GLU CA C 13 59.14 0.20 . 1 1 . . B 709 GLU CA . 25599 1 1276 . 2 2 105 105 GLU CB C 13 29.12 0.20 . 1 1 . . B 709 GLU CB . 25599 1 1277 . 2 2 105 105 GLU CG C 13 36.08 0.20 . 1 1 . . B 709 GLU CG . 25599 1 1278 . 2 2 105 105 GLU N N 15 119.62 0.30 . 1 1 . . B 709 GLU N . 25599 1 1279 . 2 2 106 106 ALA H H 1 7.95 0.03 . 1 1 . . B 710 ALA H . 25599 1 1280 . 2 2 106 106 ALA HA H 1 4.13 0.03 . 1 1 . . B 710 ALA HA . 25599 1 1281 . 2 2 106 106 ALA HB1 H 1 1.59 0.03 . 1 1 . . B 710 ALA HB1 . 25599 1 1282 . 2 2 106 106 ALA HB2 H 1 1.59 0.03 . 1 1 . . B 710 ALA HB2 . 25599 1 1283 . 2 2 106 106 ALA HB3 H 1 1.59 0.03 . 1 1 . . B 710 ALA HB3 . 25599 1 1284 . 2 2 106 106 ALA C C 13 179.84 0.20 . 1 1 . . B 710 ALA C . 25599 1 1285 . 2 2 106 106 ALA CA C 13 54.73 0.20 . 1 1 . . B 710 ALA CA . 25599 1 1286 . 2 2 106 106 ALA CB C 13 18.12 0.20 . 1 1 . . B 710 ALA CB . 25599 1 1287 . 2 2 106 106 ALA N N 15 122.73 0.30 . 1 1 . . B 710 ALA N . 25599 1 1288 . 2 2 107 107 GLN H H 1 8.37 0.03 . 1 1 . . B 711 GLN H . 25599 1 1289 . 2 2 107 107 GLN HA H 1 3.93 0.03 . 1 1 . . B 711 GLN HA . 25599 1 1290 . 2 2 107 107 GLN HB2 H 1 2.10 0.03 . 2 1 . . B 711 GLN HB2 . 25599 1 1291 . 2 2 107 107 GLN HB3 H 1 2.38 0.03 . 2 1 . . B 711 GLN HB3 . 25599 1 1292 . 2 2 107 107 GLN HG2 H 1 2.25 0.03 . 2 1 . . B 711 GLN HG2 . 25599 1 1293 . 2 2 107 107 GLN HG3 H 1 2.45 0.03 . 2 1 . . B 711 GLN HG3 . 25599 1 1294 . 2 2 107 107 GLN HE21 H 1 7.63 0.03 . 2 1 . . B 711 GLN HE21 . 25599 1 1295 . 2 2 107 107 GLN HE22 H 1 6.80 0.03 . 2 1 . . B 711 GLN HE22 . 25599 1 1296 . 2 2 107 107 GLN C C 13 177.77 0.20 . 1 1 . . B 711 GLN C . 25599 1 1297 . 2 2 107 107 GLN CA C 13 58.81 0.20 . 1 1 . . B 711 GLN CA . 25599 1 1298 . 2 2 107 107 GLN CB C 13 29.59 0.20 . 1 1 . . B 711 GLN CB . 25599 1 1299 . 2 2 107 107 GLN CG C 13 34.20 0.20 . 1 1 . . B 711 GLN CG . 25599 1 1300 . 2 2 107 107 GLN N N 15 118.25 0.30 . 1 1 . . B 711 GLN N . 25599 1 1301 . 2 2 107 107 GLN NE2 N 15 112.41 0.30 . 1 1 . . B 711 GLN NE2 . 25599 1 1302 . 2 2 108 108 ARG H H 1 7.92 0.03 . 1 1 . . B 712 ARG H . 25599 1 1303 . 2 2 108 108 ARG HA H 1 4.14 0.03 . 1 1 . . B 712 ARG HA . 25599 1 1304 . 2 2 108 108 ARG HB2 H 1 1.90 0.03 . 2 1 . . B 712 ARG HB2 . 25599 1 1305 . 2 2 108 108 ARG HB3 H 1 2.00 0.03 . 2 1 . . B 712 ARG HB3 . 25599 1 1306 . 2 2 108 108 ARG HG3 H 1 1.65 0.03 . 2 1 . . B 712 ARG HG3 . 25599 1 1307 . 2 2 108 108 ARG HD3 H 1 3.26 0.03 . 2 1 . . B 712 ARG HD3 . 25599 1 1308 . 2 2 108 108 ARG C C 13 178.84 0.20 . 1 1 . . B 712 ARG C . 25599 1 1309 . 2 2 108 108 ARG CA C 13 59.10 0.20 . 1 1 . . B 712 ARG CA . 25599 1 1310 . 2 2 108 108 ARG CB C 13 30.46 0.20 . 1 1 . . B 712 ARG CB . 25599 1 1311 . 2 2 108 108 ARG CG C 13 28.12 0.20 . 1 1 . . B 712 ARG CG . 25599 1 1312 . 2 2 108 108 ARG CD C 13 43.61 0.20 . 1 1 . . B 712 ARG CD . 25599 1 1313 . 2 2 108 108 ARG N N 15 118.80 0.30 . 1 1 . . B 712 ARG N . 25599 1 1314 . 2 2 109 109 GLY H H 1 7.92 0.03 . 1 1 . . B 713 GLY H . 25599 1 1315 . 2 2 109 109 GLY HA2 H 1 3.88 0.03 . 2 1 . . B 713 GLY HA2 . 25599 1 1316 . 2 2 109 109 GLY HA3 H 1 3.95 0.03 . 2 1 . . B 713 GLY HA3 . 25599 1 1317 . 2 2 109 109 GLY C C 13 175.55 0.20 . 1 1 . . B 713 GLY C . 25599 1 1318 . 2 2 109 109 GLY CA C 13 46.44 0.20 . 1 1 . . B 713 GLY CA . 25599 1 1319 . 2 2 109 109 GLY N N 15 106.68 0.30 . 1 1 . . B 713 GLY N . 25599 1 1320 . 2 2 110 110 PHE H H 1 7.96 0.03 . 1 1 . . B 714 PHE H . 25599 1 1321 . 2 2 110 110 PHE HA H 1 4.53 0.03 . 1 1 . . B 714 PHE HA . 25599 1 1322 . 2 2 110 110 PHE HB3 H 1 3.07 0.03 . 2 1 . . B 714 PHE HB3 . 25599 1 1323 . 2 2 110 110 PHE HD1 H 1 7.20 0.03 . 3 1 . . B 714 PHE HD1 . 25599 1 1324 . 2 2 110 110 PHE C C 13 176.99 0.20 . 1 1 . . B 714 PHE C . 25599 1 1325 . 2 2 110 110 PHE CA C 13 58.87 0.20 . 1 1 . . B 714 PHE CA . 25599 1 1326 . 2 2 110 110 PHE CB C 13 38.76 0.20 . 1 1 . . B 714 PHE CB . 25599 1 1327 . 2 2 110 110 PHE CD1 C 13 131.62 0.20 . 1 1 . . B 714 PHE CD1 . 25599 1 1328 . 2 2 110 110 PHE N N 15 120.38 0.30 . 1 1 . . B 714 PHE N . 25599 1 1329 . 2 2 111 111 ASN H H 1 8.27 0.03 . 1 1 . . B 715 ASN H . 25599 1 1330 . 2 2 111 111 ASN HA H 1 4.65 0.03 . 1 1 . . B 715 ASN HA . 25599 1 1331 . 2 2 111 111 ASN HB3 H 1 2.88 0.03 . 2 1 . . B 715 ASN HB3 . 25599 1 1332 . 2 2 111 111 ASN HD21 H 1 7.56 0.03 . 2 1 . . B 715 ASN HD21 . 25599 1 1333 . 2 2 111 111 ASN HD22 H 1 6.94 0.03 . 2 1 . . B 715 ASN HD22 . 25599 1 1334 . 2 2 111 111 ASN C C 13 176.01 0.20 . 1 1 . . B 715 ASN C . 25599 1 1335 . 2 2 111 111 ASN CA C 13 54.58 0.20 . 1 1 . . B 715 ASN CA . 25599 1 1336 . 2 2 111 111 ASN CB C 13 38.70 0.20 . 1 1 . . B 715 ASN CB . 25599 1 1337 . 2 2 111 111 ASN N N 15 118.32 0.30 . 1 1 . . B 715 ASN N . 25599 1 1338 . 2 2 111 111 ASN ND2 N 15 111.62 0.30 . 1 1 . . B 715 ASN ND2 . 25599 1 1339 . 2 2 112 112 LYS H H 1 7.93 0.03 . 1 1 . . B 716 LYS H . 25599 1 1340 . 2 2 112 112 LYS HA H 1 4.16 0.03 . 1 1 . . B 716 LYS HA . 25599 1 1341 . 2 2 112 112 LYS HB3 H 1 1.88 0.03 . 2 1 . . B 716 LYS HB3 . 25599 1 1342 . 2 2 112 112 LYS HG2 H 1 1.38 0.03 . 2 1 . . B 716 LYS HG2 . 25599 1 1343 . 2 2 112 112 LYS HG3 H 1 1.48 0.03 . 2 1 . . B 716 LYS HG3 . 25599 1 1344 . 2 2 112 112 LYS HD3 H 1 1.68 0.03 . 2 1 . . B 716 LYS HD3 . 25599 1 1345 . 2 2 112 112 LYS HE3 H 1 2.97 0.03 . 2 1 . . B 716 LYS HE3 . 25599 1 1346 . 2 2 112 112 LYS C C 13 177.25 0.20 . 1 1 . . B 716 LYS C . 25599 1 1347 . 2 2 112 112 LYS CA C 13 58.37 0.20 . 1 1 . . B 716 LYS CA . 25599 1 1348 . 2 2 112 112 LYS CB C 13 32.88 0.20 . 1 1 . . B 716 LYS CB . 25599 1 1349 . 2 2 112 112 LYS CG C 13 25.18 0.20 . 1 1 . . B 716 LYS CG . 25599 1 1350 . 2 2 112 112 LYS CD C 13 29.53 0.20 . 1 1 . . B 716 LYS CD . 25599 1 1351 . 2 2 112 112 LYS CE C 13 41.92 0.20 . 1 1 . . B 716 LYS CE . 25599 1 1352 . 2 2 112 112 LYS N N 15 120.61 0.30 . 1 1 . . B 716 LYS N . 25599 1 1353 . 2 2 113 113 VAL H H 1 7.75 0.03 . 1 1 . . B 717 VAL H . 25599 1 1354 . 2 2 113 113 VAL HA H 1 3.98 0.03 . 1 1 . . B 717 VAL HA . 25599 1 1355 . 2 2 113 113 VAL HB H 1 2.07 0.03 . 1 1 . . B 717 VAL HB . 25599 1 1356 . 2 2 113 113 VAL HG11 H 1 0.98 0.03 . 2 1 . . B 717 VAL HG11 . 25599 1 1357 . 2 2 113 113 VAL HG12 H 1 0.98 0.03 . 2 1 . . B 717 VAL HG12 . 25599 1 1358 . 2 2 113 113 VAL HG13 H 1 0.98 0.03 . 2 1 . . B 717 VAL HG13 . 25599 1 1359 . 2 2 113 113 VAL HG21 H 1 0.86 0.03 . 2 1 . . B 717 VAL HG21 . 25599 1 1360 . 2 2 113 113 VAL HG22 H 1 0.86 0.03 . 2 1 . . B 717 VAL HG22 . 25599 1 1361 . 2 2 113 113 VAL HG23 H 1 0.86 0.03 . 2 1 . . B 717 VAL HG23 . 25599 1 1362 . 2 2 113 113 VAL C C 13 176.96 0.20 . 1 1 . . B 717 VAL C . 25599 1 1363 . 2 2 113 113 VAL CA C 13 63.98 0.20 . 1 1 . . B 717 VAL CA . 25599 1 1364 . 2 2 113 113 VAL CB C 13 32.39 0.20 . 1 1 . . B 717 VAL CB . 25599 1 1365 . 2 2 113 113 VAL CG1 C 13 21.54 0.20 . 2 1 . . B 717 VAL CG1 . 25599 1 1366 . 2 2 113 113 VAL CG2 C 13 21.25 0.20 . 2 1 . . B 717 VAL CG2 . 25599 1 1367 . 2 2 113 113 VAL N N 15 118.84 0.30 . 1 1 . . B 717 VAL N . 25599 1 1368 . 2 2 114 114 TRP H H 1 8.18 0.03 . 1 1 . . B 718 TRP H . 25599 1 1369 . 2 2 114 114 TRP HA H 1 4.48 0.03 . 1 1 . . B 718 TRP HA . 25599 1 1370 . 2 2 114 114 TRP HB2 H 1 3.18 0.03 . 2 1 . . B 718 TRP HB2 . 25599 1 1371 . 2 2 114 114 TRP HB3 H 1 3.31 0.03 . 2 1 . . B 718 TRP HB3 . 25599 1 1372 . 2 2 114 114 TRP HD1 H 1 7.20 0.03 . 1 1 . . B 718 TRP HD1 . 25599 1 1373 . 2 2 114 114 TRP HE1 H 1 10.11 0.03 . 1 1 . . B 718 TRP HE1 . 25599 1 1374 . 2 2 114 114 TRP HE3 H 1 7.55 0.03 . 1 1 . . B 718 TRP HE3 . 25599 1 1375 . 2 2 114 114 TRP HZ2 H 1 7.39 0.03 . 1 1 . . B 718 TRP HZ2 . 25599 1 1376 . 2 2 114 114 TRP HZ3 H 1 7.08 0.03 . 1 1 . . B 718 TRP HZ3 . 25599 1 1377 . 2 2 114 114 TRP HH2 H 1 7.14 0.03 . 1 1 . . B 718 TRP HH2 . 25599 1 1378 . 2 2 114 114 TRP C C 13 177.25 0.20 . 1 1 . . B 718 TRP C . 25599 1 1379 . 2 2 114 114 TRP CA C 13 58.98 0.20 . 1 1 . . B 718 TRP CA . 25599 1 1380 . 2 2 114 114 TRP CB C 13 29.53 0.20 . 1 1 . . B 718 TRP CB . 25599 1 1381 . 2 2 114 114 TRP CD1 C 13 126.94 0.20 . 1 1 . . B 718 TRP CD1 . 25599 1 1382 . 2 2 114 114 TRP CE3 C 13 120.85 0.20 . 1 1 . . B 718 TRP CE3 . 25599 1 1383 . 2 2 114 114 TRP CZ2 C 13 114.61 0.20 . 1 1 . . B 718 TRP CZ2 . 25599 1 1384 . 2 2 114 114 TRP CZ3 C 13 122.00 0.20 . 1 1 . . B 718 TRP CZ3 . 25599 1 1385 . 2 2 114 114 TRP CH2 C 13 124.65 0.20 . 1 1 . . B 718 TRP CH2 . 25599 1 1386 . 2 2 114 114 TRP N N 15 122.60 0.30 . 1 1 . . B 718 TRP N . 25599 1 1387 . 2 2 114 114 TRP NE1 N 15 129.17 0.30 . 1 1 . . B 718 TRP NE1 . 25599 1 1388 . 2 2 115 115 ARG H H 1 8.03 0.03 . 1 1 . . B 719 ARG H . 25599 1 1389 . 2 2 115 115 ARG HA H 1 4.07 0.03 . 1 1 . . B 719 ARG HA . 25599 1 1390 . 2 2 115 115 ARG HB3 H 1 1.81 0.03 . 2 1 . . B 719 ARG HB3 . 25599 1 1391 . 2 2 115 115 ARG HG2 H 1 1.54 0.03 . 2 1 . . B 719 ARG HG2 . 25599 1 1392 . 2 2 115 115 ARG HG3 H 1 1.65 0.03 . 2 1 . . B 719 ARG HG3 . 25599 1 1393 . 2 2 115 115 ARG HD3 H 1 3.15 0.03 . 2 1 . . B 719 ARG HD3 . 25599 1 1394 . 2 2 115 115 ARG C C 13 176.99 0.20 . 1 1 . . B 719 ARG C . 25599 1 1395 . 2 2 115 115 ARG CA C 13 57.65 0.20 . 1 1 . . B 719 ARG CA . 25599 1 1396 . 2 2 115 115 ARG CB C 13 30.92 0.20 . 1 1 . . B 719 ARG CB . 25599 1 1397 . 2 2 115 115 ARG CG C 13 27.46 0.20 . 1 1 . . B 719 ARG CG . 25599 1 1398 . 2 2 115 115 ARG CD C 13 43.50 0.20 . 1 1 . . B 719 ARG CD . 25599 1 1399 . 2 2 115 115 ARG N N 15 120.60 0.30 . 1 1 . . B 719 ARG N . 25599 1 1400 . 2 2 116 116 GLU H H 1 8.11 0.03 . 1 1 . . B 720 GLU H . 25599 1 1401 . 2 2 116 116 GLU HA H 1 4.08 0.03 . 1 1 . . B 720 GLU HA . 25599 1 1402 . 2 2 116 116 GLU HB3 H 1 2.04 0.03 . 2 1 . . B 720 GLU HB3 . 25599 1 1403 . 2 2 116 116 GLU HG2 H 1 2.23 0.03 . 2 1 . . B 720 GLU HG2 . 25599 1 1404 . 2 2 116 116 GLU HG3 H 1 2.37 0.03 . 2 1 . . B 720 GLU HG3 . 25599 1 1405 . 2 2 116 116 GLU C C 13 177.50 0.20 . 1 1 . . B 720 GLU C . 25599 1 1406 . 2 2 116 116 GLU CA C 13 57.68 0.20 . 1 1 . . B 720 GLU CA . 25599 1 1407 . 2 2 116 116 GLU CB C 13 30.02 0.20 . 1 1 . . B 720 GLU CB . 25599 1 1408 . 2 2 116 116 GLU CG C 13 36.60 0.20 . 1 1 . . B 720 GLU CG . 25599 1 1409 . 2 2 116 116 GLU N N 15 119.85 0.30 . 1 1 . . B 720 GLU N . 25599 1 1410 . 2 2 117 117 GLN H H 1 8.15 0.03 . 1 1 . . B 721 GLN H . 25599 1 1411 . 2 2 117 117 GLN HA H 1 4.20 0.03 . 1 1 . . B 721 GLN HA . 25599 1 1412 . 2 2 117 117 GLN HB2 H 1 2.00 0.03 . 2 1 . . B 721 GLN HB2 . 25599 1 1413 . 2 2 117 117 GLN HB3 H 1 2.06 0.03 . 2 1 . . B 721 GLN HB3 . 25599 1 1414 . 2 2 117 117 GLN HG2 H 1 2.20 0.03 . 2 1 . . B 721 GLN HG2 . 25599 1 1415 . 2 2 117 117 GLN HG3 H 1 2.35 0.03 . 2 1 . . B 721 GLN HG3 . 25599 1 1416 . 2 2 117 117 GLN HE21 H 1 7.38 0.03 . 2 1 . . B 721 GLN HE21 . 25599 1 1417 . 2 2 117 117 GLN HE22 H 1 6.74 0.03 . 2 1 . . B 721 GLN HE22 . 25599 1 1418 . 2 2 117 117 GLN C C 13 176.31 0.20 . 1 1 . . B 721 GLN C . 25599 1 1419 . 2 2 117 117 GLN CA C 13 56.81 0.20 . 1 1 . . B 721 GLN CA . 25599 1 1420 . 2 2 117 117 GLN CB C 13 29.15 0.20 . 1 1 . . B 721 GLN CB . 25599 1 1421 . 2 2 117 117 GLN CG C 13 34.01 0.20 . 1 1 . . B 721 GLN CG . 25599 1 1422 . 2 2 117 117 GLN N N 15 118.80 0.30 . 1 1 . . B 721 GLN N . 25599 1 1423 . 2 2 117 117 GLN NE2 N 15 111.58 0.30 . 1 1 . . B 721 GLN NE2 . 25599 1 1424 . 2 2 118 118 ASN H H 1 8.09 0.03 . 1 1 . . B 722 ASN H . 25599 1 1425 . 2 2 118 118 ASN HA H 1 4.60 0.03 . 1 1 . . B 722 ASN HA . 25599 1 1426 . 2 2 118 118 ASN HB2 H 1 2.47 0.03 . 2 1 . . B 722 ASN HB2 . 25599 1 1427 . 2 2 118 118 ASN HB3 H 1 2.67 0.03 . 2 1 . . B 722 ASN HB3 . 25599 1 1428 . 2 2 118 118 ASN HD21 H 1 7.28 0.03 . 2 1 . . B 722 ASN HD21 . 25599 1 1429 . 2 2 118 118 ASN HD22 H 1 6.61 0.03 . 2 1 . . B 722 ASN HD22 . 25599 1 1430 . 2 2 118 118 ASN C C 13 175.50 0.20 . 1 1 . . B 722 ASN C . 25599 1 1431 . 2 2 118 118 ASN CA C 13 54.02 0.20 . 1 1 . . B 722 ASN CA . 25599 1 1432 . 2 2 118 118 ASN CB C 13 39.24 0.20 . 1 1 . . B 722 ASN CB . 25599 1 1433 . 2 2 118 118 ASN N N 15 118.05 0.30 . 1 1 . . B 722 ASN N . 25599 1 1434 . 2 2 118 118 ASN ND2 N 15 112.61 0.30 . 1 1 . . B 722 ASN ND2 . 25599 1 1435 . 2 2 119 119 GLU H H 1 8.21 0.03 . 1 1 . . B 723 GLU H . 25599 1 1436 . 2 2 119 119 GLU HA H 1 4.14 0.03 . 1 1 . . B 723 GLU HA . 25599 1 1437 . 2 2 119 119 GLU HB3 H 1 2.02 0.03 . 2 1 . . B 723 GLU HB3 . 25599 1 1438 . 2 2 119 119 GLU HG3 H 1 2.24 0.03 . 2 1 . . B 723 GLU HG3 . 25599 1 1439 . 2 2 119 119 GLU C C 13 176.83 0.20 . 1 1 . . B 723 GLU C . 25599 1 1440 . 2 2 119 119 GLU CA C 13 57.59 0.20 . 1 1 . . B 723 GLU CA . 25599 1 1441 . 2 2 119 119 GLU CB C 13 30.03 0.20 . 1 1 . . B 723 GLU CB . 25599 1 1442 . 2 2 119 119 GLU CG C 13 36.42 0.20 . 1 1 . . B 723 GLU CG . 25599 1 1443 . 2 2 119 119 GLU N N 15 120.31 0.30 . 1 1 . . B 723 GLU N . 25599 1 1444 . 2 2 120 120 LYS H H 1 8.02 0.03 . 1 1 . . B 724 LYS H . 25599 1 1445 . 2 2 120 120 LYS HA H 1 4.13 0.03 . 1 1 . . B 724 LYS HA . 25599 1 1446 . 2 2 120 120 LYS HB3 H 1 1.61 0.03 . 2 1 . . B 724 LYS HB3 . 25599 1 1447 . 2 2 120 120 LYS HG3 H 1 1.22 0.03 . 2 1 . . B 724 LYS HG3 . 25599 1 1448 . 2 2 120 120 LYS HD3 H 1 1.59 0.03 . 2 1 . . B 724 LYS HD3 . 25599 1 1449 . 2 2 120 120 LYS HE3 H 1 2.91 0.03 . 2 1 . . B 724 LYS HE3 . 25599 1 1450 . 2 2 120 120 LYS C C 13 176.55 0.20 . 1 1 . . B 724 LYS C . 25599 1 1451 . 2 2 120 120 LYS CA C 13 57.02 0.20 . 1 1 . . B 724 LYS CA . 25599 1 1452 . 2 2 120 120 LYS CB C 13 32.67 0.20 . 1 1 . . B 724 LYS CB . 25599 1 1453 . 2 2 120 120 LYS CG C 13 24.81 0.20 . 1 1 . . B 724 LYS CG . 25599 1 1454 . 2 2 120 120 LYS CD C 13 29.20 0.20 . 1 1 . . B 724 LYS CD . 25599 1 1455 . 2 2 120 120 LYS CE C 13 42.14 0.20 . 1 1 . . B 724 LYS CE . 25599 1 1456 . 2 2 120 120 LYS N N 15 119.66 0.30 . 1 1 . . B 724 LYS N . 25599 1 1457 . 2 2 121 121 TYR H H 1 7.82 0.03 . 1 1 . . B 725 TYR H . 25599 1 1458 . 2 2 121 121 TYR HA H 1 4.46 0.03 . 1 1 . . B 725 TYR HA . 25599 1 1459 . 2 2 121 121 TYR HB2 H 1 2.85 0.03 . 2 1 . . B 725 TYR HB2 . 25599 1 1460 . 2 2 121 121 TYR HB3 H 1 2.96 0.03 . 2 1 . . B 725 TYR HB3 . 25599 1 1461 . 2 2 121 121 TYR HD2 H 1 6.99 0.03 . 3 1 . . B 725 TYR HD2 . 25599 1 1462 . 2 2 121 121 TYR HE2 H 1 6.79 0.03 . 3 1 . . B 725 TYR HE2 . 25599 1 1463 . 2 2 121 121 TYR C C 13 175.55 0.20 . 1 1 . . B 725 TYR C . 25599 1 1464 . 2 2 121 121 TYR CA C 13 58.20 0.20 . 1 1 . . B 725 TYR CA . 25599 1 1465 . 2 2 121 121 TYR CB C 13 38.73 0.20 . 1 1 . . B 725 TYR CB . 25599 1 1466 . 2 2 121 121 TYR CD2 C 13 133.27 0.20 . 1 1 . . B 725 TYR CD2 . 25599 1 1467 . 2 2 121 121 TYR CE2 C 13 118.33 0.20 . 1 1 . . B 725 TYR CE2 . 25599 1 1468 . 2 2 121 121 TYR N N 15 119.11 0.30 . 1 1 . . B 725 TYR N . 25599 1 1469 . 2 2 122 122 TYR H H 1 7.73 0.03 . 1 1 . . B 726 TYR H . 25599 1 1470 . 2 2 122 122 TYR HA H 1 4.51 0.03 . 1 1 . . B 726 TYR HA . 25599 1 1471 . 2 2 122 122 TYR HB2 H 1 2.92 0.03 . 2 1 . . B 726 TYR HB2 . 25599 1 1472 . 2 2 122 122 TYR HB3 H 1 3.01 0.03 . 2 1 . . B 726 TYR HB3 . 25599 1 1473 . 2 2 122 122 TYR HD2 H 1 7.08 0.03 . 3 1 . . B 726 TYR HD2 . 25599 1 1474 . 2 2 122 122 TYR HE2 H 1 6.81 0.03 . 3 1 . . B 726 TYR HE2 . 25599 1 1475 . 2 2 122 122 TYR C C 13 175.23 0.20 . 1 1 . . B 726 TYR C . 25599 1 1476 . 2 2 122 122 TYR CA C 13 57.83 0.20 . 1 1 . . B 726 TYR CA . 25599 1 1477 . 2 2 122 122 TYR CB C 13 38.86 0.20 . 1 1 . . B 726 TYR CB . 25599 1 1478 . 2 2 122 122 TYR CD2 C 13 133.43 0.20 . 1 1 . . B 726 TYR CD2 . 25599 1 1479 . 2 2 122 122 TYR CE2 C 13 118.43 0.20 . 1 1 . . B 726 TYR CE2 . 25599 1 1480 . 2 2 122 122 TYR N N 15 119.82 0.30 . 1 1 . . B 726 TYR N . 25599 1 1481 . 2 2 123 123 LEU H H 1 7.83 0.03 . 1 1 . . B 727 LEU H . 25599 1 1482 . 2 2 123 123 LEU HA H 1 4.30 0.03 . 1 1 . . B 727 LEU HA . 25599 1 1483 . 2 2 123 123 LEU HB3 H 1 1.57 0.03 . 2 1 . . B 727 LEU HB3 . 25599 1 1484 . 2 2 123 123 LEU HG H 1 1.49 0.03 . 1 1 . . B 727 LEU HG . 25599 1 1485 . 2 2 123 123 LEU HD11 H 1 0.90 0.03 . 2 1 . . B 727 LEU HD11 . 25599 1 1486 . 2 2 123 123 LEU HD12 H 1 0.90 0.03 . 2 1 . . B 727 LEU HD12 . 25599 1 1487 . 2 2 123 123 LEU HD13 H 1 0.90 0.03 . 2 1 . . B 727 LEU HD13 . 25599 1 1488 . 2 2 123 123 LEU HD21 H 1 0.86 0.03 . 2 1 . . B 727 LEU HD21 . 25599 1 1489 . 2 2 123 123 LEU HD22 H 1 0.86 0.03 . 2 1 . . B 727 LEU HD22 . 25599 1 1490 . 2 2 123 123 LEU HD23 H 1 0.86 0.03 . 2 1 . . B 727 LEU HD23 . 25599 1 1491 . 2 2 123 123 LEU C C 13 176.68 0.20 . 1 1 . . B 727 LEU C . 25599 1 1492 . 2 2 123 123 LEU CA C 13 55.01 0.20 . 1 1 . . B 727 LEU CA . 25599 1 1493 . 2 2 123 123 LEU CB C 13 42.52 0.20 . 1 1 . . B 727 LEU CB . 25599 1 1494 . 2 2 123 123 LEU CG C 13 26.94 0.20 . 1 1 . . B 727 LEU CG . 25599 1 1495 . 2 2 123 123 LEU CD1 C 13 25.04 0.20 . 2 1 . . B 727 LEU CD1 . 25599 1 1496 . 2 2 123 123 LEU CD2 C 13 23.72 0.20 . 2 1 . . B 727 LEU CD2 . 25599 1 1497 . 2 2 123 123 LEU N N 15 123.03 0.30 . 1 1 . . B 727 LEU N . 25599 1 1498 . 2 2 124 124 LYS H H 1 8.10 0.03 . 1 1 . . B 728 LYS H . 25599 1 1499 . 2 2 124 124 LYS HA H 1 4.35 0.03 . 1 1 . . B 728 LYS HA . 25599 1 1500 . 2 2 124 124 LYS HB2 H 1 1.75 0.03 . 2 1 . . B 728 LYS HB2 . 25599 1 1501 . 2 2 124 124 LYS HB3 H 1 1.88 0.03 . 2 1 . . B 728 LYS HB3 . 25599 1 1502 . 2 2 124 124 LYS HG3 H 1 1.44 0.03 . 2 1 . . B 728 LYS HG3 . 25599 1 1503 . 2 2 124 124 LYS HD3 H 1 1.69 0.03 . 2 1 . . B 728 LYS HD3 . 25599 1 1504 . 2 2 124 124 LYS HE3 H 1 2.98 0.03 . 2 1 . . B 728 LYS HE3 . 25599 1 1505 . 2 2 124 124 LYS C C 13 175.61 0.20 . 1 1 . . B 728 LYS C . 25599 1 1506 . 2 2 124 124 LYS CA C 13 56.32 0.20 . 1 1 . . B 728 LYS CA . 25599 1 1507 . 2 2 124 124 LYS CB C 13 33.23 0.20 . 1 1 . . B 728 LYS CB . 25599 1 1508 . 2 2 124 124 LYS CG C 13 24.79 0.20 . 1 1 . . B 728 LYS CG . 25599 1 1509 . 2 2 124 124 LYS CD C 13 29.28 0.20 . 1 1 . . B 728 LYS CD . 25599 1 1510 . 2 2 124 124 LYS CE C 13 42.18 0.20 . 1 1 . . B 728 LYS CE . 25599 1 1511 . 2 2 124 124 LYS N N 15 122.56 0.30 . 1 1 . . B 728 LYS N . 25599 1 1512 . 2 2 125 125 SER H H 1 7.89 0.03 . 1 1 . . B 729 SER H . 25599 1 1513 . 2 2 125 125 SER HA H 1 4.26 0.03 . 1 1 . . B 729 SER HA . 25599 1 1514 . 2 2 125 125 SER HB3 H 1 3.83 0.03 . 2 1 . . B 729 SER HB3 . 25599 1 1515 . 2 2 125 125 SER C C 13 178.73 0.20 . 1 1 . . B 729 SER C . 25599 1 1516 . 2 2 125 125 SER CA C 13 59.94 0.20 . 1 1 . . B 729 SER CA . 25599 1 1517 . 2 2 125 125 SER CB C 13 64.94 0.20 . 1 1 . . B 729 SER CB . 25599 1 1518 . 2 2 125 125 SER N N 15 122.79 0.30 . 1 1 . . B 729 SER N . 25599 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25599 _Assigned_chem_shift_list.ID 2 _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 4 '3D 1H-13C NOESY' . . . 25599 2 7 '3D CBCA(CO)NH' . . . 25599 2 8 '3D HNCACB' . . . 25599 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.04 0.03 . 1 1 . . A 202 SER HA . 25599 2 2 . 1 1 1 1 SER HB3 H 1 3.92 0.03 . 2 1 . . A 202 SER HB3 . 25599 2 3 . 1 1 1 1 SER CA C 13 57.59 0.20 . 1 1 . . A 202 SER CA . 25599 2 4 . 1 1 1 1 SER CB C 13 63.88 0.20 . 1 1 . . A 202 SER CB . 25599 2 5 . 1 1 3 3 ALA HB1 H 1 1.28 0.03 . 1 1 . . A 204 ALA HB1 . 25599 2 6 . 1 1 3 3 ALA HB2 H 1 1.28 0.03 . 1 1 . . A 204 ALA HB2 . 25599 2 7 . 1 1 3 3 ALA HB3 H 1 1.28 0.03 . 1 1 . . A 204 ALA HB3 . 25599 2 8 . 1 1 3 3 ALA CB C 13 19.31 0.20 . 1 1 . . A 204 ALA CB . 25599 2 9 . 1 1 4 4 ALA H H 1 8.17 0.03 . 1 1 . . A 205 ALA H . 25599 2 10 . 1 1 4 4 ALA HA H 1 4.22 0.03 . 1 1 . . A 205 ALA HA . 25599 2 11 . 1 1 4 4 ALA HB1 H 1 1.31 0.03 . 1 1 . . A 205 ALA HB1 . 25599 2 12 . 1 1 4 4 ALA HB2 H 1 1.31 0.03 . 1 1 . . A 205 ALA HB2 . 25599 2 13 . 1 1 4 4 ALA HB3 H 1 1.31 0.03 . 1 1 . . A 205 ALA HB3 . 25599 2 14 . 1 1 4 4 ALA CA C 13 52.68 0.20 . 1 1 . . A 205 ALA CA . 25599 2 15 . 1 1 4 4 ALA CB C 13 19.32 0.20 . 1 1 . . A 205 ALA CB . 25599 2 16 . 1 1 4 4 ALA N N 15 122.69 0.30 . 1 1 . . A 205 ALA N . 25599 2 17 . 1 1 5 5 GLN H H 1 8.15 0.03 . 1 1 . . A 206 GLN H . 25599 2 18 . 1 1 5 5 GLN HA H 1 4.25 0.03 . 1 1 . . A 206 GLN HA . 25599 2 19 . 1 1 5 5 GLN HB2 H 1 1.94 0.03 . 2 1 . . A 206 GLN HB2 . 25599 2 20 . 1 1 5 5 GLN HB3 H 1 2.04 0.03 . 2 1 . . A 206 GLN HB3 . 25599 2 21 . 1 1 5 5 GLN HG3 H 1 2.29 0.03 . 2 1 . . A 206 GLN HG3 . 25599 2 22 . 1 1 5 5 GLN CA C 13 55.55 0.20 . 1 1 . . A 206 GLN CA . 25599 2 23 . 1 1 5 5 GLN CB C 13 29.80 0.20 . 1 1 . . A 206 GLN CB . 25599 2 24 . 1 1 5 5 GLN CG C 13 33.98 0.20 . 1 1 . . A 206 GLN CG . 25599 2 25 . 1 1 5 5 GLN N N 15 119.18 0.30 . 1 1 . . A 206 GLN N . 25599 2 26 . 1 1 6 6 LEU H H 1 8.03 0.03 . 1 1 . . A 207 LEU H . 25599 2 27 . 1 1 6 6 LEU HA H 1 4.16 0.03 . 1 1 . . A 207 LEU HA . 25599 2 28 . 1 1 6 6 LEU HB2 H 1 1.02 0.03 . 2 1 . . A 207 LEU HB2 . 25599 2 29 . 1 1 6 6 LEU HB3 H 1 1.18 0.03 . 2 1 . . A 207 LEU HB3 . 25599 2 30 . 1 1 6 6 LEU HG H 1 1.32 0.03 . 1 1 . . A 207 LEU HG . 25599 2 31 . 1 1 6 6 LEU HD11 H 1 0.71 0.03 . 2 1 . . A 207 LEU HD11 . 25599 2 32 . 1 1 6 6 LEU HD12 H 1 0.71 0.03 . 2 1 . . A 207 LEU HD12 . 25599 2 33 . 1 1 6 6 LEU HD13 H 1 0.71 0.03 . 2 1 . . A 207 LEU HD13 . 25599 2 34 . 1 1 6 6 LEU HD21 H 1 0.71 0.03 . 2 1 . . A 207 LEU HD21 . 25599 2 35 . 1 1 6 6 LEU HD22 H 1 0.71 0.03 . 2 1 . . A 207 LEU HD22 . 25599 2 36 . 1 1 6 6 LEU HD23 H 1 0.71 0.03 . 2 1 . . A 207 LEU HD23 . 25599 2 37 . 1 1 6 6 LEU CA C 13 54.72 0.20 . 1 1 . . A 207 LEU CA . 25599 2 38 . 1 1 6 6 LEU CB C 13 42.72 0.20 . 1 1 . . A 207 LEU CB . 25599 2 39 . 1 1 6 6 LEU CG C 13 27.41 0.20 . 1 1 . . A 207 LEU CG . 25599 2 40 . 1 1 6 6 LEU CD1 C 13 25.20 0.20 . 2 1 . . A 207 LEU CD1 . 25599 2 41 . 1 1 6 6 LEU CD2 C 13 24.86 0.20 . 2 1 . . A 207 LEU CD2 . 25599 2 42 . 1 1 6 6 LEU N N 15 123.56 0.30 . 1 1 . . A 207 LEU N . 25599 2 43 . 1 1 7 7 ASN H H 1 8.85 0.03 . 1 1 . . A 208 ASN H . 25599 2 44 . 1 1 7 7 ASN HA H 1 4.76 0.03 . 1 1 . . A 208 ASN HA . 25599 2 45 . 1 1 7 7 ASN HB2 H 1 2.73 0.03 . 2 1 . . A 208 ASN HB2 . 25599 2 46 . 1 1 7 7 ASN HB3 H 1 2.89 0.03 . 2 1 . . A 208 ASN HB3 . 25599 2 47 . 1 1 7 7 ASN HD21 H 1 7.70 0.03 . 2 1 . . A 208 ASN HD21 . 25599 2 48 . 1 1 7 7 ASN HD22 H 1 6.89 0.03 . 2 1 . . A 208 ASN HD22 . 25599 2 49 . 1 1 7 7 ASN CA C 13 52.05 0.20 . 1 1 . . A 208 ASN CA . 25599 2 50 . 1 1 7 7 ASN CB C 13 38.79 0.20 . 1 1 . . A 208 ASN CB . 25599 2 51 . 1 1 7 7 ASN N N 15 121.19 0.30 . 1 1 . . A 208 ASN N . 25599 2 52 . 1 1 7 7 ASN ND2 N 15 113.04 0.30 . 1 1 . . A 208 ASN ND2 . 25599 2 53 . 1 1 8 8 TYR HA H 1 4.54 0.03 . 1 1 . . A 209 TYR HA . 25599 2 54 . 1 1 8 8 TYR HB2 H 1 2.99 0.03 . 2 1 . . A 209 TYR HB2 . 25599 2 55 . 1 1 8 8 TYR HB3 H 1 3.08 0.03 . 2 1 . . A 209 TYR HB3 . 25599 2 56 . 1 1 8 8 TYR HD1 H 1 7.11 0.03 . 3 1 . . A 209 TYR HD1 . 25599 2 57 . 1 1 8 8 TYR HE1 H 1 6.82 0.03 . 3 1 . . A 209 TYR HE1 . 25599 2 58 . 1 1 9 9 LEU H H 1 7.37 0.03 . 1 1 . . A 210 LEU H . 25599 2 59 . 1 1 9 9 LEU HA H 1 4.45 0.03 . 1 1 . . A 210 LEU HA . 25599 2 60 . 1 1 9 9 LEU HB2 H 1 1.69 0.03 . 2 1 . . A 210 LEU HB2 . 25599 2 61 . 1 1 9 9 LEU HB3 H 1 1.85 0.03 . 2 1 . . A 210 LEU HB3 . 25599 2 62 . 1 1 9 9 LEU HG H 1 1.86 0.03 . 1 1 . . A 210 LEU HG . 25599 2 63 . 1 1 9 9 LEU HD11 H 1 1.00 0.03 . 2 1 . . A 210 LEU HD11 . 25599 2 64 . 1 1 9 9 LEU HD12 H 1 1.00 0.03 . 2 1 . . A 210 LEU HD12 . 25599 2 65 . 1 1 9 9 LEU HD13 H 1 1.00 0.03 . 2 1 . . A 210 LEU HD13 . 25599 2 66 . 1 1 9 9 LEU HD21 H 1 0.93 0.03 . 2 1 . . A 210 LEU HD21 . 25599 2 67 . 1 1 9 9 LEU HD22 H 1 0.93 0.03 . 2 1 . . A 210 LEU HD22 . 25599 2 68 . 1 1 9 9 LEU HD23 H 1 0.93 0.03 . 2 1 . . A 210 LEU HD23 . 25599 2 69 . 1 1 9 9 LEU CA C 13 55.91 0.20 . 1 1 . . A 210 LEU CA . 25599 2 70 . 1 1 9 9 LEU CB C 13 43.47 0.20 . 1 1 . . A 210 LEU CB . 25599 2 71 . 1 1 9 9 LEU CG C 13 27.56 0.20 . 1 1 . . A 210 LEU CG . 25599 2 72 . 1 1 9 9 LEU CD1 C 13 25.96 0.20 . 2 1 . . A 210 LEU CD1 . 25599 2 73 . 1 1 9 9 LEU CD2 C 13 24.73 0.20 . 2 1 . . A 210 LEU CD2 . 25599 2 74 . 1 1 9 9 LEU N N 15 123.40 0.30 . 1 1 . . A 210 LEU N . 25599 2 75 . 1 1 10 10 LEU H H 1 8.29 0.03 . 1 1 . . A 211 LEU H . 25599 2 76 . 1 1 10 10 LEU HA H 1 4.45 0.03 . 1 1 . . A 211 LEU HA . 25599 2 77 . 1 1 10 10 LEU HB2 H 1 1.41 0.03 . 2 1 . . A 211 LEU HB2 . 25599 2 78 . 1 1 10 10 LEU HB3 H 1 1.69 0.03 . 2 1 . . A 211 LEU HB3 . 25599 2 79 . 1 1 10 10 LEU HG H 1 1.63 0.03 . 1 1 . . A 211 LEU HG . 25599 2 80 . 1 1 10 10 LEU HD11 H 1 0.86 0.03 . 2 1 . . A 211 LEU HD11 . 25599 2 81 . 1 1 10 10 LEU HD12 H 1 0.86 0.03 . 2 1 . . A 211 LEU HD12 . 25599 2 82 . 1 1 10 10 LEU HD13 H 1 0.86 0.03 . 2 1 . . A 211 LEU HD13 . 25599 2 83 . 1 1 10 10 LEU HD21 H 1 0.70 0.03 . 2 1 . . A 211 LEU HD21 . 25599 2 84 . 1 1 10 10 LEU HD22 H 1 0.70 0.03 . 2 1 . . A 211 LEU HD22 . 25599 2 85 . 1 1 10 10 LEU HD23 H 1 0.70 0.03 . 2 1 . . A 211 LEU HD23 . 25599 2 86 . 1 1 10 10 LEU CA C 13 54.88 0.20 . 1 1 . . A 211 LEU CA . 25599 2 87 . 1 1 10 10 LEU CD1 C 13 23.77 0.20 . 2 1 . . A 211 LEU CD1 . 25599 2 88 . 1 1 10 10 LEU CD2 C 13 23.98 0.20 . 2 1 . . A 211 LEU CD2 . 25599 2 89 . 1 1 10 10 LEU N N 15 121.33 0.30 . 1 1 . . A 211 LEU N . 25599 2 90 . 1 1 11 11 THR H H 1 8.36 0.03 . 1 1 . . A 212 THR H . 25599 2 91 . 1 1 11 11 THR HA H 1 4.33 0.03 . 1 1 . . A 212 THR HA . 25599 2 92 . 1 1 11 11 THR HB H 1 4.70 0.03 . 1 1 . . A 212 THR HB . 25599 2 93 . 1 1 11 11 THR HG21 H 1 1.27 0.03 . 1 1 . . A 212 THR HG21 . 25599 2 94 . 1 1 11 11 THR HG22 H 1 1.27 0.03 . 1 1 . . A 212 THR HG22 . 25599 2 95 . 1 1 11 11 THR HG23 H 1 1.27 0.03 . 1 1 . . A 212 THR HG23 . 25599 2 96 . 1 1 11 11 THR CA C 13 61.23 0.20 . 1 1 . . A 212 THR CA . 25599 2 97 . 1 1 11 11 THR CB C 13 70.37 0.20 . 1 1 . . A 212 THR CB . 25599 2 98 . 1 1 11 11 THR CG2 C 13 21.90 0.20 . 1 1 . . A 212 THR CG2 . 25599 2 99 . 1 1 11 11 THR N N 15 118.96 0.30 . 1 1 . . A 212 THR N . 25599 2 100 . 1 1 12 12 ASP H H 1 8.92 0.03 . 1 1 . . A 213 ASP H . 25599 2 101 . 1 1 12 12 ASP HA H 1 4.31 0.03 . 1 1 . . A 213 ASP HA . 25599 2 102 . 1 1 12 12 ASP HB3 H 1 2.66 0.03 . 2 1 . . A 213 ASP HB3 . 25599 2 103 . 1 1 12 12 ASP CA C 13 57.99 0.20 . 1 1 . . A 213 ASP CA . 25599 2 104 . 1 1 12 12 ASP CB C 13 40.15 0.20 . 1 1 . . A 213 ASP CB . 25599 2 105 . 1 1 12 12 ASP N N 15 121.39 0.30 . 1 1 . . A 213 ASP N . 25599 2 106 . 1 1 13 13 GLU H H 1 8.51 0.03 . 1 1 . . A 214 GLU H . 25599 2 107 . 1 1 13 13 GLU HA H 1 3.99 0.03 . 1 1 . . A 214 GLU HA . 25599 2 108 . 1 1 13 13 GLU HB2 H 1 1.95 0.03 . 2 1 . . A 214 GLU HB2 . 25599 2 109 . 1 1 13 13 GLU HB3 H 1 2.03 0.03 . 2 1 . . A 214 GLU HB3 . 25599 2 110 . 1 1 13 13 GLU HG3 H 1 2.31 0.03 . 2 1 . . A 214 GLU HG3 . 25599 2 111 . 1 1 13 13 GLU CA C 13 59.70 0.20 . 1 1 . . A 214 GLU CA . 25599 2 112 . 1 1 13 13 GLU CB C 13 29.60 0.20 . 1 1 . . A 214 GLU CB . 25599 2 113 . 1 1 13 13 GLU CG C 13 36.88 0.20 . 1 1 . . A 214 GLU CG . 25599 2 114 . 1 1 13 13 GLU N N 15 118.06 0.30 . 1 1 . . A 214 GLU N . 25599 2 115 . 1 1 14 14 GLN H H 1 7.71 0.03 . 1 1 . . A 215 GLN H . 25599 2 116 . 1 1 14 14 GLN HA H 1 3.97 0.03 . 1 1 . . A 215 GLN HA . 25599 2 117 . 1 1 14 14 GLN HB3 H 1 2.36 0.03 . 2 1 . . A 215 GLN HB3 . 25599 2 118 . 1 1 14 14 GLN HG3 H 1 2.48 0.03 . 2 1 . . A 215 GLN HG3 . 25599 2 119 . 1 1 14 14 GLN CA C 13 58.83 0.20 . 1 1 . . A 215 GLN CA . 25599 2 120 . 1 1 14 14 GLN CB C 13 34.70 0.20 . 1 1 . . A 215 GLN CB . 25599 2 121 . 1 1 14 14 GLN CG C 13 34.80 0.20 . 1 1 . . A 215 GLN CG . 25599 2 122 . 1 1 14 14 GLN N N 15 121.08 0.30 . 1 1 . . A 215 GLN N . 25599 2 123 . 1 1 15 15 ILE H H 1 8.27 0.03 . 1 1 . . A 216 ILE H . 25599 2 124 . 1 1 15 15 ILE HA H 1 3.65 0.03 . 1 1 . . A 216 ILE HA . 25599 2 125 . 1 1 15 15 ILE HB H 1 2.00 0.03 . 1 1 . . A 216 ILE HB . 25599 2 126 . 1 1 15 15 ILE HG12 H 1 1.05 0.03 . 2 1 . . A 216 ILE HG12 . 25599 2 127 . 1 1 15 15 ILE HG13 H 1 1.61 0.03 . 2 1 . . A 216 ILE HG13 . 25599 2 128 . 1 1 15 15 ILE HG21 H 1 1.09 0.03 . 1 1 . . A 216 ILE HG21 . 25599 2 129 . 1 1 15 15 ILE HG22 H 1 1.09 0.03 . 1 1 . . A 216 ILE HG22 . 25599 2 130 . 1 1 15 15 ILE HG23 H 1 1.09 0.03 . 1 1 . . A 216 ILE HG23 . 25599 2 131 . 1 1 15 15 ILE HD11 H 1 1.01 0.03 . 1 1 . . A 216 ILE HD11 . 25599 2 132 . 1 1 15 15 ILE HD12 H 1 1.01 0.03 . 1 1 . . A 216 ILE HD12 . 25599 2 133 . 1 1 15 15 ILE HD13 H 1 1.01 0.03 . 1 1 . . A 216 ILE HD13 . 25599 2 134 . 1 1 15 15 ILE CA C 13 67.10 0.20 . 1 1 . . A 216 ILE CA . 25599 2 135 . 1 1 15 15 ILE CB C 13 38.52 0.20 . 1 1 . . A 216 ILE CB . 25599 2 136 . 1 1 15 15 ILE CG1 C 13 30.57 0.20 . 1 1 . . A 216 ILE CG1 . 25599 2 137 . 1 1 15 15 ILE CG2 C 13 17.27 0.20 . 1 1 . . A 216 ILE CG2 . 25599 2 138 . 1 1 15 15 ILE CD1 C 13 13.18 0.20 . 1 1 . . A 216 ILE CD1 . 25599 2 139 . 1 1 15 15 ILE N N 15 118.95 0.30 . 1 1 . . A 216 ILE N . 25599 2 140 . 1 1 16 16 MET H H 1 8.38 0.03 . 1 1 . . A 217 MET H . 25599 2 141 . 1 1 16 16 MET HA H 1 4.21 0.03 . 1 1 . . A 217 MET HA . 25599 2 142 . 1 1 16 16 MET HB2 H 1 2.06 0.03 . 2 1 . . A 217 MET HB2 . 25599 2 143 . 1 1 16 16 MET HB3 H 1 2.20 0.03 . 2 1 . . A 217 MET HB3 . 25599 2 144 . 1 1 16 16 MET HG2 H 1 2.66 0.03 . 2 1 . . A 217 MET HG2 . 25599 2 145 . 1 1 16 16 MET HG3 H 1 2.73 0.03 . 2 1 . . A 217 MET HG3 . 25599 2 146 . 1 1 16 16 MET HE1 H 1 2.08 0.03 . 1 1 . . A 217 MET HE1 . 25599 2 147 . 1 1 16 16 MET HE2 H 1 2.08 0.03 . 1 1 . . A 217 MET HE2 . 25599 2 148 . 1 1 16 16 MET HE3 H 1 2.08 0.03 . 1 1 . . A 217 MET HE3 . 25599 2 149 . 1 1 16 16 MET CA C 13 58.26 0.20 . 1 1 . . A 217 MET CA . 25599 2 150 . 1 1 16 16 MET CB C 13 32.07 0.20 . 1 1 . . A 217 MET CB . 25599 2 151 . 1 1 16 16 MET CG C 13 32.60 0.20 . 1 1 . . A 217 MET CG . 25599 2 152 . 1 1 16 16 MET CE C 13 17.15 0.20 . 1 1 . . A 217 MET CE . 25599 2 153 . 1 1 16 16 MET N N 15 116.20 0.30 . 1 1 . . A 217 MET N . 25599 2 154 . 1 1 17 17 GLU H H 1 8.06 0.03 . 1 1 . . A 218 GLU H . 25599 2 155 . 1 1 17 17 GLU HA H 1 4.00 0.03 . 1 1 . . A 218 GLU HA . 25599 2 156 . 1 1 17 17 GLU HB2 H 1 2.11 0.03 . 2 1 . . A 218 GLU HB2 . 25599 2 157 . 1 1 17 17 GLU HB3 H 1 2.18 0.03 . 2 1 . . A 218 GLU HB3 . 25599 2 158 . 1 1 17 17 GLU HG3 H 1 2.33 0.03 . 2 1 . . A 218 GLU HG3 . 25599 2 159 . 1 1 17 17 GLU CA C 13 59.46 0.20 . 1 1 . . A 218 GLU CA . 25599 2 160 . 1 1 17 17 GLU CB C 13 29.49 0.20 . 1 1 . . A 218 GLU CB . 25599 2 161 . 1 1 17 17 GLU CG C 13 36.11 0.20 . 1 1 . . A 218 GLU CG . 25599 2 162 . 1 1 17 17 GLU N N 15 120.73 0.30 . 1 1 . . A 218 GLU N . 25599 2 163 . 1 1 18 18 ASP H H 1 8.03 0.03 . 1 1 . . A 219 ASP H . 25599 2 164 . 1 1 18 18 ASP HA H 1 4.28 0.03 . 1 1 . . A 219 ASP HA . 25599 2 165 . 1 1 18 18 ASP HB2 H 1 2.37 0.03 . 2 1 . . A 219 ASP HB2 . 25599 2 166 . 1 1 18 18 ASP HB3 H 1 3.06 0.03 . 2 1 . . A 219 ASP HB3 . 25599 2 167 . 1 1 18 18 ASP CA C 13 58.18 0.20 . 1 1 . . A 219 ASP CA . 25599 2 168 . 1 1 18 18 ASP CB C 13 39.50 0.20 . 1 1 . . A 219 ASP CB . 25599 2 169 . 1 1 18 18 ASP N N 15 124.05 0.30 . 1 1 . . A 219 ASP N . 25599 2 170 . 1 1 19 19 LEU H H 1 8.52 0.03 . 1 1 . . A 220 LEU H . 25599 2 171 . 1 1 19 19 LEU HA H 1 3.87 0.03 . 1 1 . . A 220 LEU HA . 25599 2 172 . 1 1 19 19 LEU HB2 H 1 1.37 0.03 . 2 1 . . A 220 LEU HB2 . 25599 2 173 . 1 1 19 19 LEU HB3 H 1 1.92 0.03 . 2 1 . . A 220 LEU HB3 . 25599 2 174 . 1 1 19 19 LEU HG H 1 1.61 0.03 . 1 1 . . A 220 LEU HG . 25599 2 175 . 1 1 19 19 LEU HD11 H 1 0.76 0.03 . 2 1 . . A 220 LEU HD11 . 25599 2 176 . 1 1 19 19 LEU HD12 H 1 0.76 0.03 . 2 1 . . A 220 LEU HD12 . 25599 2 177 . 1 1 19 19 LEU HD13 H 1 0.76 0.03 . 2 1 . . A 220 LEU HD13 . 25599 2 178 . 1 1 19 19 LEU HD21 H 1 0.92 0.03 . 2 1 . . A 220 LEU HD21 . 25599 2 179 . 1 1 19 19 LEU HD22 H 1 0.92 0.03 . 2 1 . . A 220 LEU HD22 . 25599 2 180 . 1 1 19 19 LEU HD23 H 1 0.92 0.03 . 2 1 . . A 220 LEU HD23 . 25599 2 181 . 1 1 19 19 LEU CA C 13 58.13 0.20 . 1 1 . . A 220 LEU CA . 25599 2 182 . 1 1 19 19 LEU CB C 13 41.68 0.20 . 1 1 . . A 220 LEU CB . 25599 2 183 . 1 1 19 19 LEU CD1 C 13 23.22 0.20 . 2 1 . . A 220 LEU CD1 . 25599 2 184 . 1 1 19 19 LEU CD2 C 13 26.31 0.20 . 2 1 . . A 220 LEU CD2 . 25599 2 185 . 1 1 19 19 LEU N N 15 118.97 0.30 . 1 1 . . A 220 LEU N . 25599 2 186 . 1 1 20 20 ARG H H 1 8.65 0.03 . 1 1 . . A 221 ARG H . 25599 2 187 . 1 1 20 20 ARG HA H 1 4.06 0.03 . 1 1 . . A 221 ARG HA . 25599 2 188 . 1 1 20 20 ARG HB3 H 1 1.99 0.03 . 2 1 . . A 221 ARG HB3 . 25599 2 189 . 1 1 20 20 ARG HG2 H 1 1.61 0.03 . 2 1 . . A 221 ARG HG2 . 25599 2 190 . 1 1 20 20 ARG HG3 H 1 1.81 0.03 . 2 1 . . A 221 ARG HG3 . 25599 2 191 . 1 1 20 20 ARG HD3 H 1 3.21 0.03 . 2 1 . . A 221 ARG HD3 . 25599 2 192 . 1 1 20 20 ARG CA C 13 59.77 0.20 . 1 1 . . A 221 ARG CA . 25599 2 193 . 1 1 20 20 ARG CB C 13 30.27 0.20 . 1 1 . . A 221 ARG CB . 25599 2 194 . 1 1 20 20 ARG CG C 13 27.96 0.20 . 1 1 . . A 221 ARG CG . 25599 2 195 . 1 1 20 20 ARG CD C 13 43.71 0.20 . 1 1 . . A 221 ARG CD . 25599 2 196 . 1 1 20 20 ARG N N 15 120.21 0.30 . 1 1 . . A 221 ARG N . 25599 2 197 . 1 1 21 21 THR H H 1 8.18 0.03 . 1 1 . . A 222 THR H . 25599 2 198 . 1 1 21 21 THR HA H 1 4.28 0.03 . 1 1 . . A 222 THR HA . 25599 2 199 . 1 1 21 21 THR HB H 1 3.89 0.03 . 1 1 . . A 222 THR HB . 25599 2 200 . 1 1 21 21 THR HG21 H 1 1.22 0.03 . 1 1 . . A 222 THR HG21 . 25599 2 201 . 1 1 21 21 THR HG22 H 1 1.22 0.03 . 1 1 . . A 222 THR HG22 . 25599 2 202 . 1 1 21 21 THR HG23 H 1 1.22 0.03 . 1 1 . . A 222 THR HG23 . 25599 2 203 . 1 1 21 21 THR CA C 13 68.39 0.20 . 1 1 . . A 222 THR CA . 25599 2 204 . 1 1 21 21 THR CB C 13 66.48 0.20 . 1 1 . . A 222 THR CB . 25599 2 205 . 1 1 21 21 THR CG2 C 13 22.38 0.20 . 1 1 . . A 222 THR CG2 . 25599 2 206 . 1 1 21 21 THR N N 15 117.50 0.30 . 1 1 . . A 222 THR N . 25599 2 207 . 1 1 22 22 LEU H H 1 7.73 0.03 . 1 1 . . A 223 LEU H . 25599 2 208 . 1 1 22 22 LEU HA H 1 4.04 0.03 . 1 1 . . A 223 LEU HA . 25599 2 209 . 1 1 22 22 LEU HB3 H 1 1.67 0.03 . 2 1 . . A 223 LEU HB3 . 25599 2 210 . 1 1 22 22 LEU HG H 1 1.81 0.03 . 1 1 . . A 223 LEU HG . 25599 2 211 . 1 1 22 22 LEU HD11 H 1 0.80 0.03 . 2 1 . . A 223 LEU HD11 . 25599 2 212 . 1 1 22 22 LEU HD12 H 1 0.80 0.03 . 2 1 . . A 223 LEU HD12 . 25599 2 213 . 1 1 22 22 LEU HD13 H 1 0.80 0.03 . 2 1 . . A 223 LEU HD13 . 25599 2 214 . 1 1 22 22 LEU HD21 H 1 0.79 0.03 . 2 1 . . A 223 LEU HD21 . 25599 2 215 . 1 1 22 22 LEU HD22 H 1 0.79 0.03 . 2 1 . . A 223 LEU HD22 . 25599 2 216 . 1 1 22 22 LEU HD23 H 1 0.79 0.03 . 2 1 . . A 223 LEU HD23 . 25599 2 217 . 1 1 22 22 LEU CA C 13 56.45 0.20 . 1 1 . . A 223 LEU CA . 25599 2 218 . 1 1 22 22 LEU CB C 13 41.93 0.20 . 1 1 . . A 223 LEU CB . 25599 2 219 . 1 1 22 22 LEU CG C 13 27.68 0.20 . 1 1 . . A 223 LEU CG . 25599 2 220 . 1 1 22 22 LEU CD1 C 13 25.29 0.20 . 2 1 . . A 223 LEU CD1 . 25599 2 221 . 1 1 22 22 LEU CD2 C 13 24.50 0.20 . 2 1 . . A 223 LEU CD2 . 25599 2 222 . 1 1 22 22 LEU N N 15 119.40 0.30 . 1 1 . . A 223 LEU N . 25599 2 223 . 1 1 23 23 ASN H H 1 8.09 0.03 . 1 1 . . A 224 ASN H . 25599 2 224 . 1 1 23 23 ASN HA H 1 4.62 0.03 . 1 1 . . A 224 ASN HA . 25599 2 225 . 1 1 23 23 ASN HB2 H 1 2.79 0.03 . 2 1 . . A 224 ASN HB2 . 25599 2 226 . 1 1 23 23 ASN HB3 H 1 2.96 0.03 . 2 1 . . A 224 ASN HB3 . 25599 2 227 . 1 1 23 23 ASN HD21 H 1 7.49 0.03 . 2 1 . . A 224 ASN HD21 . 25599 2 228 . 1 1 23 23 ASN HD22 H 1 6.92 0.03 . 2 1 . . A 224 ASN HD22 . 25599 2 229 . 1 1 23 23 ASN CA C 13 54.26 0.20 . 1 1 . . A 224 ASN CA . 25599 2 230 . 1 1 23 23 ASN CB C 13 38.23 0.20 . 1 1 . . A 224 ASN CB . 25599 2 231 . 1 1 23 23 ASN N N 15 116.11 0.30 . 1 1 . . A 224 ASN N . 25599 2 232 . 1 1 23 23 ASN ND2 N 15 111.93 0.30 . 1 1 . . A 224 ASN ND2 . 25599 2 233 . 1 1 24 24 LYS H H 1 7.94 0.03 . 1 1 . . A 225 LYS H . 25599 2 234 . 1 1 24 24 LYS HA H 1 4.32 0.03 . 1 1 . . A 225 LYS HA . 25599 2 235 . 1 1 24 24 LYS HB2 H 1 1.77 0.03 . 2 1 . . A 225 LYS HB2 . 25599 2 236 . 1 1 24 24 LYS HB3 H 1 1.95 0.03 . 2 1 . . A 225 LYS HB3 . 25599 2 237 . 1 1 24 24 LYS HG3 H 1 1.44 0.03 . 2 1 . . A 225 LYS HG3 . 25599 2 238 . 1 1 24 24 LYS HD3 H 1 1.66 0.03 . 2 1 . . A 225 LYS HD3 . 25599 2 239 . 1 1 24 24 LYS HE3 H 1 2.97 0.03 . 2 1 . . A 225 LYS HE3 . 25599 2 240 . 1 1 24 24 LYS CB C 13 32.99 0.20 . 1 1 . . A 225 LYS CB . 25599 2 241 . 1 1 24 24 LYS CG C 13 24.87 0.20 . 1 1 . . A 225 LYS CG . 25599 2 242 . 1 1 24 24 LYS CD C 13 29.21 0.20 . 1 1 . . A 225 LYS CD . 25599 2 243 . 1 1 24 24 LYS CE C 13 42.15 0.20 . 1 1 . . A 225 LYS CE . 25599 2 244 . 1 1 24 24 LYS N N 15 118.20 0.30 . 1 1 . . A 225 LYS N . 25599 2 245 . 1 1 25 25 LEU H H 1 7.77 0.03 . 1 1 . . A 226 LEU H . 25599 2 246 . 1 1 25 25 LEU HA H 1 4.37 0.03 . 1 1 . . A 226 LEU HA . 25599 2 247 . 1 1 25 25 LEU HB3 H 1 1.61 0.03 . 2 1 . . A 226 LEU HB3 . 25599 2 248 . 1 1 25 25 LEU HG H 1 1.62 0.03 . 1 1 . . A 226 LEU HG . 25599 2 249 . 1 1 25 25 LEU HD11 H 1 0.94 0.03 . 2 1 . . A 226 LEU HD11 . 25599 2 250 . 1 1 25 25 LEU HD12 H 1 0.94 0.03 . 2 1 . . A 226 LEU HD12 . 25599 2 251 . 1 1 25 25 LEU HD13 H 1 0.94 0.03 . 2 1 . . A 226 LEU HD13 . 25599 2 252 . 1 1 25 25 LEU HD21 H 1 0.89 0.03 . 2 1 . . A 226 LEU HD21 . 25599 2 253 . 1 1 25 25 LEU HD22 H 1 0.89 0.03 . 2 1 . . A 226 LEU HD22 . 25599 2 254 . 1 1 25 25 LEU HD23 H 1 0.89 0.03 . 2 1 . . A 226 LEU HD23 . 25599 2 255 . 1 1 25 25 LEU CA C 13 54.97 0.20 . 1 1 . . A 226 LEU CA . 25599 2 256 . 1 1 25 25 LEU CB C 13 42.57 0.20 . 1 1 . . A 226 LEU CB . 25599 2 257 . 1 1 25 25 LEU CG C 13 27.23 0.20 . 1 1 . . A 226 LEU CG . 25599 2 258 . 1 1 25 25 LEU CD1 C 13 25.45 0.20 . 2 1 . . A 226 LEU CD1 . 25599 2 259 . 1 1 25 25 LEU CD2 C 13 23.72 0.20 . 2 1 . . A 226 LEU CD2 . 25599 2 260 . 1 1 25 25 LEU N N 15 120.59 0.30 . 1 1 . . A 226 LEU N . 25599 2 261 . 1 1 26 26 LYS H H 1 8.12 0.03 . 1 1 . . A 227 LYS H . 25599 2 262 . 1 1 26 26 LYS HA H 1 4.38 0.03 . 1 1 . . A 227 LYS HA . 25599 2 263 . 1 1 26 26 LYS HB3 H 1 1.79 0.03 . 2 1 . . A 227 LYS HB3 . 25599 2 264 . 1 1 26 26 LYS HG3 H 1 1.46 0.03 . 2 1 . . A 227 LYS HG3 . 25599 2 265 . 1 1 26 26 LYS HD3 H 1 1.64 0.03 . 2 1 . . A 227 LYS HD3 . 25599 2 266 . 1 1 26 26 LYS N N 15 122.42 0.30 . 1 1 . . A 227 LYS N . 25599 2 267 . 1 1 27 27 SER H H 1 7.91 0.03 . 1 1 . . A 228 SER H . 25599 2 268 . 1 1 27 27 SER HA H 1 4.25 0.03 . 1 1 . . A 228 SER HA . 25599 2 269 . 1 1 27 27 SER HB3 H 1 3.84 0.03 . 2 1 . . A 228 SER HB3 . 25599 2 270 . 1 1 27 27 SER CA C 13 60.04 0.20 . 1 1 . . A 228 SER CA . 25599 2 271 . 1 1 27 27 SER CB C 13 65.00 0.20 . 1 1 . . A 228 SER CB . 25599 2 272 . 1 1 27 27 SER N N 15 122.98 0.30 . 1 1 . . A 228 SER N . 25599 2 stop_ save_