data_16889 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16889 _Entry.Title ; Solution structure of HIV-2 myrMA bound to di-C4-PI(4,5)P2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-21 _Entry.Accession_date 2010-04-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jamil Saad . S. . 16889 2 Sherimay Ablan . D. . 16889 3 Ruba Ghanam . H. . 16889 4 Andrew Kim . . . 16889 5 Kalola Andrews . . . 16889 6 Kunio Nagashima . . . 16889 7 Eric Freed . O. . 16889 8 Michael Summers . F. . 16889 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' . 16889 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 16889 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16889 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 402 16889 '15N chemical shifts' 128 16889 '1H chemical shifts' 789 16889 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-05-24 2010-04-21 update BMRB 'update entry citation' 16889 1 . . 2012-08-02 2010-04-21 original author 'original release' 16889 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16887 'myristoylated HIV-2 MA protein and PI(4,5)P2' 16889 BMRB 16888 'HIV-2 myristoylated Matrix protein' 16889 PDB 2K4I 'BMRB Entry Tracking System' 16889 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16889 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18657545 _Citation.Full_citation . _Citation.Title 'Structure of the myristylated human immunodeficiency virus type 2 matrix protein and the role of phosphatidylinositol-(4,5)-bisphosphate in membrane targeting.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 382 _Citation.Journal_issue 2 _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 434 _Citation.Page_last 447 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jamil Saad . S. . 16889 1 2 Sherimay Ablan . D. . 16889 1 3 Ruba Ghanam . H. . 16889 1 4 Andrew Kim . . . 16889 1 5 Kalola Andrews . . . 16889 1 6 Kunio Nagashima . . . 16889 1 7 Ferri Soheilian . . . 16889 1 8 Eric Freed . O. . 16889 1 9 Michael Summers . F. . 16889 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16889 _Assembly.ID 1 _Assembly.Name 'HIV-2 myrMA bound to di-C4-PI(4,5)P2' _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 'HIV-2 myrMA bound to di-C4-PI(4,5)P2' 1 $HIV-2 A . yes native no no . . . 16889 1 2 PBU 2 $PBU B . yes native no no . . . 16889 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HIV-2 _Entity.Sf_category entity _Entity.Sf_framecode HIV-2 _Entity.Entry_ID 16889 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HIV-2 _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 ; XGARNSVLRGKKADELERIR LRPGGKKKYRLKHIVWAANK LDRFGLAESLLESKEGCQKI LTVLDPMVPTGSENLKSLFN TVCVIWCIHAEEKVKDTEGA KQIVRRHLVAETGTAEKMPS TSRPTAPSSEKGGNY ; _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 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14899.383 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16887 . HIV2 . . . . . 99.26 134 100.00 100.00 4.65e-92 . . . . 16889 1 2 no BMRB 16888 . HIV-2_myristoylated_matrix_protein . . . . . 99.26 135 100.00 100.00 4.81e-92 . . . . 16889 1 3 no PDB 2K4E . "Solution Structure Of The Hiv-2 Unmyristoylated Matrix Protein" . . . . . 98.52 134 100.00 100.00 6.98e-91 . . . . 16889 1 4 no PDB 2K4H . "Solution Structure Of The Hiv-2 Myristoylated Matrix Protein" . . . . . 98.52 134 100.00 100.00 6.98e-91 . . . . 16889 1 5 no PDB 2K4I . "Solution Structure Of Hiv-2 Myrma Bound To Di-c4-pi(4,5)p2" . . . . . 98.52 134 100.00 100.00 6.98e-91 . . . . 16889 1 6 no EMBL CAA28909 . "gag protein [Human immunodeficiency virus 2]" . . . . . 99.26 522 100.00 100.00 1.73e-86 . . . . 16889 1 7 no GB AAB00763 . "gag polyprotein [Human immunodeficiency virus 2]" . . . . . 99.26 522 100.00 100.00 1.73e-86 . . . . 16889 1 8 no PRF 1306388A . "gene gag" . . . . . 99.26 522 100.00 100.00 1.73e-86 . . . . 16889 1 9 no SP P04584 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 99.26 1464 100.00 100.00 1.76e-82 . . . . 16889 1 10 no SP P04590 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 99.26 522 100.00 100.00 1.73e-86 . . . . 16889 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MYR . 16889 1 2 . GLY . 16889 1 3 . ALA . 16889 1 4 . ARG . 16889 1 5 . ASN . 16889 1 6 . SER . 16889 1 7 . VAL . 16889 1 8 . LEU . 16889 1 9 . ARG . 16889 1 10 . GLY . 16889 1 11 . LYS . 16889 1 12 . LYS . 16889 1 13 . ALA . 16889 1 14 . ASP . 16889 1 15 . GLU . 16889 1 16 . LEU . 16889 1 17 . GLU . 16889 1 18 . ARG . 16889 1 19 . ILE . 16889 1 20 . ARG . 16889 1 21 . LEU . 16889 1 22 . ARG . 16889 1 23 . PRO . 16889 1 24 . GLY . 16889 1 25 . GLY . 16889 1 26 . LYS . 16889 1 27 . LYS . 16889 1 28 . LYS . 16889 1 29 . TYR . 16889 1 30 . ARG . 16889 1 31 . LEU . 16889 1 32 . LYS . 16889 1 33 . HIS . 16889 1 34 . ILE . 16889 1 35 . VAL . 16889 1 36 . TRP . 16889 1 37 . ALA . 16889 1 38 . ALA . 16889 1 39 . ASN . 16889 1 40 . LYS . 16889 1 41 . LEU . 16889 1 42 . ASP . 16889 1 43 . ARG . 16889 1 44 . PHE . 16889 1 45 . GLY . 16889 1 46 . LEU . 16889 1 47 . ALA . 16889 1 48 . GLU . 16889 1 49 . SER . 16889 1 50 . LEU . 16889 1 51 . LEU . 16889 1 52 . GLU . 16889 1 53 . SER . 16889 1 54 . LYS . 16889 1 55 . GLU . 16889 1 56 . GLY . 16889 1 57 . CYS . 16889 1 58 . GLN . 16889 1 59 . LYS . 16889 1 60 . ILE . 16889 1 61 . LEU . 16889 1 62 . THR . 16889 1 63 . VAL . 16889 1 64 . LEU . 16889 1 65 . ASP . 16889 1 66 . PRO . 16889 1 67 . MET . 16889 1 68 . VAL . 16889 1 69 . PRO . 16889 1 70 . THR . 16889 1 71 . GLY . 16889 1 72 . SER . 16889 1 73 . GLU . 16889 1 74 . ASN . 16889 1 75 . LEU . 16889 1 76 . LYS . 16889 1 77 . SER . 16889 1 78 . LEU . 16889 1 79 . PHE . 16889 1 80 . ASN . 16889 1 81 . THR . 16889 1 82 . VAL . 16889 1 83 . CYS . 16889 1 84 . VAL . 16889 1 85 . ILE . 16889 1 86 . TRP . 16889 1 87 . CYS . 16889 1 88 . ILE . 16889 1 89 . HIS . 16889 1 90 . ALA . 16889 1 91 . GLU . 16889 1 92 . GLU . 16889 1 93 . LYS . 16889 1 94 . VAL . 16889 1 95 . LYS . 16889 1 96 . ASP . 16889 1 97 . THR . 16889 1 98 . GLU . 16889 1 99 . GLY . 16889 1 100 . ALA . 16889 1 101 . LYS . 16889 1 102 . GLN . 16889 1 103 . ILE . 16889 1 104 . VAL . 16889 1 105 . ARG . 16889 1 106 . ARG . 16889 1 107 . HIS . 16889 1 108 . LEU . 16889 1 109 . VAL . 16889 1 110 . ALA . 16889 1 111 . GLU . 16889 1 112 . THR . 16889 1 113 . GLY . 16889 1 114 . THR . 16889 1 115 . ALA . 16889 1 116 . GLU . 16889 1 117 . LYS . 16889 1 118 . MET . 16889 1 119 . PRO . 16889 1 120 . SER . 16889 1 121 . THR . 16889 1 122 . SER . 16889 1 123 . ARG . 16889 1 124 . PRO . 16889 1 125 . THR . 16889 1 126 . ALA . 16889 1 127 . PRO . 16889 1 128 . SER . 16889 1 129 . SER . 16889 1 130 . GLU . 16889 1 131 . LYS . 16889 1 132 . GLY . 16889 1 133 . GLY . 16889 1 134 . ASN . 16889 1 135 . TYR . 16889 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 . MYR 1 1 16889 1 . GLY 2 2 16889 1 . ALA 3 3 16889 1 . ARG 4 4 16889 1 . ASN 5 5 16889 1 . SER 6 6 16889 1 . VAL 7 7 16889 1 . LEU 8 8 16889 1 . ARG 9 9 16889 1 . GLY 10 10 16889 1 . LYS 11 11 16889 1 . LYS 12 12 16889 1 . ALA 13 13 16889 1 . ASP 14 14 16889 1 . GLU 15 15 16889 1 . LEU 16 16 16889 1 . GLU 17 17 16889 1 . ARG 18 18 16889 1 . ILE 19 19 16889 1 . ARG 20 20 16889 1 . LEU 21 21 16889 1 . ARG 22 22 16889 1 . PRO 23 23 16889 1 . GLY 24 24 16889 1 . GLY 25 25 16889 1 . LYS 26 26 16889 1 . LYS 27 27 16889 1 . LYS 28 28 16889 1 . TYR 29 29 16889 1 . ARG 30 30 16889 1 . LEU 31 31 16889 1 . LYS 32 32 16889 1 . HIS 33 33 16889 1 . ILE 34 34 16889 1 . VAL 35 35 16889 1 . TRP 36 36 16889 1 . ALA 37 37 16889 1 . ALA 38 38 16889 1 . ASN 39 39 16889 1 . LYS 40 40 16889 1 . LEU 41 41 16889 1 . ASP 42 42 16889 1 . ARG 43 43 16889 1 . PHE 44 44 16889 1 . GLY 45 45 16889 1 . LEU 46 46 16889 1 . ALA 47 47 16889 1 . GLU 48 48 16889 1 . SER 49 49 16889 1 . LEU 50 50 16889 1 . LEU 51 51 16889 1 . GLU 52 52 16889 1 . SER 53 53 16889 1 . LYS 54 54 16889 1 . GLU 55 55 16889 1 . GLY 56 56 16889 1 . CYS 57 57 16889 1 . GLN 58 58 16889 1 . LYS 59 59 16889 1 . ILE 60 60 16889 1 . LEU 61 61 16889 1 . THR 62 62 16889 1 . VAL 63 63 16889 1 . LEU 64 64 16889 1 . ASP 65 65 16889 1 . PRO 66 66 16889 1 . MET 67 67 16889 1 . VAL 68 68 16889 1 . PRO 69 69 16889 1 . THR 70 70 16889 1 . GLY 71 71 16889 1 . SER 72 72 16889 1 . GLU 73 73 16889 1 . ASN 74 74 16889 1 . LEU 75 75 16889 1 . LYS 76 76 16889 1 . SER 77 77 16889 1 . LEU 78 78 16889 1 . PHE 79 79 16889 1 . ASN 80 80 16889 1 . THR 81 81 16889 1 . VAL 82 82 16889 1 . CYS 83 83 16889 1 . VAL 84 84 16889 1 . ILE 85 85 16889 1 . TRP 86 86 16889 1 . CYS 87 87 16889 1 . ILE 88 88 16889 1 . HIS 89 89 16889 1 . ALA 90 90 16889 1 . GLU 91 91 16889 1 . GLU 92 92 16889 1 . LYS 93 93 16889 1 . VAL 94 94 16889 1 . LYS 95 95 16889 1 . ASP 96 96 16889 1 . THR 97 97 16889 1 . GLU 98 98 16889 1 . GLY 99 99 16889 1 . ALA 100 100 16889 1 . LYS 101 101 16889 1 . GLN 102 102 16889 1 . ILE 103 103 16889 1 . VAL 104 104 16889 1 . ARG 105 105 16889 1 . ARG 106 106 16889 1 . HIS 107 107 16889 1 . LEU 108 108 16889 1 . VAL 109 109 16889 1 . ALA 110 110 16889 1 . GLU 111 111 16889 1 . THR 112 112 16889 1 . GLY 113 113 16889 1 . THR 114 114 16889 1 . ALA 115 115 16889 1 . GLU 116 116 16889 1 . LYS 117 117 16889 1 . MET 118 118 16889 1 . PRO 119 119 16889 1 . SER 120 120 16889 1 . THR 121 121 16889 1 . SER 122 122 16889 1 . ARG 123 123 16889 1 . PRO 124 124 16889 1 . THR 125 125 16889 1 . ALA 126 126 16889 1 . PRO 127 127 16889 1 . SER 128 128 16889 1 . SER 129 129 16889 1 . GLU 130 130 16889 1 . LYS 131 131 16889 1 . GLY 132 132 16889 1 . GLY 133 133 16889 1 . ASN 134 134 16889 1 . TYR 135 135 16889 1 stop_ save_ save_PBU _Entity.Sf_category entity _Entity.Sf_framecode PBU _Entity.Entry_ID 16889 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PBU _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID PBU _Entity.Nonpolymer_comp_label $chem_comp_PBU _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 . PBU . 16889 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 16889 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HIV-2 . 11709 virus . 'Human immunodeficiency virus 2' 'Human immunodeficiency virus 2' . . virus . Lentivirus HIV2 pROD10 . . . . . . . . . . . . . . . . . . . . 16889 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 16889 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HIV-2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 11 and 19' . . . . . . 16889 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MYR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MYR _Chem_comp.Entry_ID 16889 _Chem_comp.ID MYR _Chem_comp.Provenance . _Chem_comp.Name 'MYRISTIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MYR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-07 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MYR _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C14 H28 O2' _Chem_comp.Formula_weight 228.371 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1ICM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Nov 21 12:30:36 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCCCCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 16889 MYR CCCCCCCCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16889 MYR CCCCCCCCCCCCCC(O)=O SMILES CACTVS 3.341 16889 MYR CCCCCCCCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.341 16889 MYR InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) InChI InChI 1.03 16889 MYR O=C(O)CCCCCCCCCCCCC SMILES ACDLabs 10.04 16889 MYR TUNFSRHWOTWDNC-UHFFFAOYSA-N InChIKey InChI 1.03 16889 MYR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'tetradecanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 16889 MYR 'tetradecanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16889 MYR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . no no . . . . 6.748 . -0.653 . 3.744 . 0.121 0.000 -6.963 1 . 16889 MYR O1 . O1 . . O . . N 0 . . . . no no . . . . 6.160 . -1.704 . 3.756 . 1.327 0.000 -6.888 2 . 16889 MYR O2 . O2 . . O . . N 0 . . . . no yes . . . . 6.245 . 0.389 . 4.316 . -0.476 0.000 -8.164 3 . 16889 MYR C2 . C2 . . C . . N 0 . . . . no no . . . . 8.095 . -0.440 . 3.061 . -0.711 0.000 -5.706 4 . 16889 MYR C3 . C3 . . C . . N 0 . . . . no no . . . . 9.236 . -1.264 . 3.627 . 0.209 0.000 -4.484 5 . 16889 MYR C4 . C4 . . C . . N 0 . . . . no no . . . . 9.578 . -0.958 . 5.081 . -0.636 0.000 -3.209 6 . 16889 MYR C5 . C5 . . C . . N 0 . . . . no no . . . . 10.773 . -1.735 . 5.635 . 0.284 0.000 -1.987 7 . 16889 MYR C6 . C6 . . C . . N 0 . . . . no no . . . . 11.280 . -1.093 . 6.928 . -0.560 0.000 -0.712 8 . 16889 MYR C7 . C7 . . C . . N 0 . . . . no no . . . . 12.782 . -1.170 . 7.157 . 0.359 0.000 0.509 9 . 16889 MYR C8 . C8 . . C . . N 0 . . . . no no . . . . 13.305 . 0.171 . 7.667 . -0.485 0.000 1.785 10 . 16889 MYR C9 . C9 . . C . . N 0 . . . . no no . . . . 14.245 . 0.011 . 8.840 . 0.434 0.000 3.007 11 . 16889 MYR C10 . C10 . . C . . N 0 . . . . no no . . . . 14.363 . 1.259 . 9.699 . -0.410 0.000 4.282 12 . 16889 MYR C11 . C11 . . C . . N 0 . . . . no no . . . . 15.566 . 2.088 . 9.297 . 0.510 0.000 5.504 13 . 16889 MYR C12 . C12 . . C . . N 0 . . . . no no . . . . 15.613 . 3.507 . 9.835 . -0.335 0.000 6.779 14 . 16889 MYR C13 . C13 . . C . . N 0 . . . . no no . . . . 16.815 . 4.232 . 9.253 . 0.585 0.000 8.001 15 . 16889 MYR C14 . C14 . . C . . N 0 . . . . no no . . . . 17.118 . 5.584 . 9.876 . -0.259 0.000 9.277 16 . 16889 MYR HO2 . HO2 . . H . . N 0 . . . . no no . . . . 6.708 . 1.218 . 4.306 . 0.057 0.000 -8.970 17 . 16889 MYR H21 . H21 . . H . . N 0 . . . . no no . . . . 8.002 . -0.612 . 1.963 . -1.340 -0.890 -5.688 18 . 16889 MYR H22 . H22 . . H . . N 0 . . . . no no . . . . 8.362 . 0.642 . 3.065 . -1.340 0.890 -5.688 19 . 16889 MYR H31 . H31 . . H . . N 0 . . . . no no . . . . 9.029 . -2.352 . 3.497 . 0.838 0.890 -4.503 20 . 16889 MYR H32 . H32 . . H . . N 0 . . . . no no . . . . 10.142 . -1.163 . 2.985 . 0.838 -0.890 -4.503 21 . 16889 MYR H41 . H41 . . H . . N 0 . . . . no no . . . . 9.731 . 0.137 . 5.219 . -1.265 -0.890 -3.190 22 . 16889 MYR H42 . H42 . . H . . N 0 . . . . no no . . . . 8.683 . -1.111 . 5.728 . -1.265 0.890 -3.190 23 . 16889 MYR H51 . H51 . . H . . N 0 . . . . no no . . . . 10.535 . -2.815 . 5.774 . 0.913 0.890 -2.006 24 . 16889 MYR H52 . H52 . . H . . N 0 . . . . no no . . . . 11.585 . -1.839 . 4.878 . 0.913 -0.890 -2.006 25 . 16889 MYR H61 . H61 . . H . . N 0 . . . . no no . . . . 10.940 . -0.032 . 6.985 . -1.189 -0.890 -0.693 26 . 16889 MYR H62 . H62 . . H . . N 0 . . . . no no . . . . 10.739 . -1.522 . 7.803 . -1.189 0.890 -0.693 27 . 16889 MYR H71 . H71 . . H . . N 0 . . . . no no . . . . 13.057 . -2.010 . 7.835 . 0.988 0.890 0.490 28 . 16889 MYR H72 . H72 . . H . . N 0 . . . . no no . . . . 13.326 . -1.510 . 6.245 . 0.988 -0.890 0.490 29 . 16889 MYR H81 . H81 . . H . . N 0 . . . . no no . . . . 13.781 . 0.756 . 6.846 . -1.114 -0.890 1.804 30 . 16889 MYR H82 . H82 . . H . . N 0 . . . . no no . . . . 12.466 . 0.862 . 7.914 . -1.114 0.890 1.804 31 . 16889 MYR H91 . H91 . . H . . N 0 . . . . no no . . . . 13.954 . -0.868 . 9.460 . 1.063 0.890 2.988 32 . 16889 MYR H92 . H92 . . H . . N 0 . . . . no no . . . . 15.250 . -0.327 . 8.496 . 1.063 -0.890 2.988 33 . 16889 MYR H101 . H101 . . H . . N 0 . . . . no no . . . . 13.424 . 1.861 . 9.678 . -1.039 -0.890 4.301 34 . 16889 MYR H102 . H102 . . H . . N 0 . . . . no no . . . . 14.381 . 1.008 . 10.785 . -1.039 0.890 4.301 35 . 16889 MYR H111 . H111 . . H . . N 0 . . . . no no . . . . 16.503 . 1.549 . 9.571 . 1.139 0.890 5.485 36 . 16889 MYR H112 . H112 . . H . . N 0 . . . . no no . . . . 15.659 . 2.102 . 8.186 . 1.139 -0.890 5.485 37 . 16889 MYR H121 . H121 . . H . . N 0 . . . . no no . . . . 14.660 . 4.057 . 9.653 . -0.964 -0.890 6.798 38 . 16889 MYR H122 . H122 . . H . . N 0 . . . . no no . . . . 15.603 . 3.535 . 10.949 . -0.964 0.890 6.798 39 . 16889 MYR H131 . H131 . . H . . N 0 . . . . no no . . . . 17.716 . 3.577 . 9.298 . 1.214 0.890 7.982 40 . 16889 MYR H132 . H132 . . H . . N 0 . . . . no no . . . . 16.703 . 4.334 . 8.148 . 1.214 -0.890 7.982 41 . 16889 MYR H141 . H141 . . H . . N 0 . . . . no no . . . . 18.000 . 6.116 . 9.449 . 0.395 0.000 10.147 42 . 16889 MYR H142 . H142 . . H . . N 0 . . . . no no . . . . 16.216 . 6.238 . 9.830 . -0.889 0.890 9.296 43 . 16889 MYR H143 . H143 . . H . . N 0 . . . . no no . . . . 17.229 . 5.481 . 10.980 . -0.889 -0.890 9.296 44 . 16889 MYR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 no N 1 . 16889 MYR 2 . SING C1 O2 no N 2 . 16889 MYR 3 . SING C1 C2 no N 3 . 16889 MYR 4 . SING O2 HO2 no N 4 . 16889 MYR 5 . SING C2 C3 no N 5 . 16889 MYR 6 . SING C2 H21 no N 6 . 16889 MYR 7 . SING C2 H22 no N 7 . 16889 MYR 8 . SING C3 C4 no N 8 . 16889 MYR 9 . SING C3 H31 no N 9 . 16889 MYR 10 . SING C3 H32 no N 10 . 16889 MYR 11 . SING C4 C5 no N 11 . 16889 MYR 12 . SING C4 H41 no N 12 . 16889 MYR 13 . SING C4 H42 no N 13 . 16889 MYR 14 . SING C5 C6 no N 14 . 16889 MYR 15 . SING C5 H51 no N 15 . 16889 MYR 16 . SING C5 H52 no N 16 . 16889 MYR 17 . SING C6 C7 no N 17 . 16889 MYR 18 . SING C6 H61 no N 18 . 16889 MYR 19 . SING C6 H62 no N 19 . 16889 MYR 20 . SING C7 C8 no N 20 . 16889 MYR 21 . SING C7 H71 no N 21 . 16889 MYR 22 . SING C7 H72 no N 22 . 16889 MYR 23 . SING C8 C9 no N 23 . 16889 MYR 24 . SING C8 H81 no N 24 . 16889 MYR 25 . SING C8 H82 no N 25 . 16889 MYR 26 . SING C9 C10 no N 26 . 16889 MYR 27 . SING C9 H91 no N 27 . 16889 MYR 28 . SING C9 H92 no N 28 . 16889 MYR 29 . SING C10 C11 no N 29 . 16889 MYR 30 . SING C10 H101 no N 30 . 16889 MYR 31 . SING C10 H102 no N 31 . 16889 MYR 32 . SING C11 C12 no N 32 . 16889 MYR 33 . SING C11 H111 no N 33 . 16889 MYR 34 . SING C11 H112 no N 34 . 16889 MYR 35 . SING C12 C13 no N 35 . 16889 MYR 36 . SING C12 H121 no N 36 . 16889 MYR 37 . SING C12 H122 no N 37 . 16889 MYR 38 . SING C13 C14 no N 38 . 16889 MYR 39 . SING C13 H131 no N 39 . 16889 MYR 40 . SING C13 H132 no N 40 . 16889 MYR 41 . SING C14 H141 no N 41 . 16889 MYR 42 . SING C14 H142 no N 42 . 16889 MYR 43 . SING C14 H143 no N 43 . 16889 MYR stop_ save_ save_chem_comp_PBU _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PBU _Chem_comp.Entry_ID 16889 _Chem_comp.ID PBU _Chem_comp.Provenance . _Chem_comp.Name '(2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1,2-DIYL DIBUTANOATE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code PBU _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2006-05-25 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PBU _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C17 H33 O19 P3' _Chem_comp.Formula_weight 634.354 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2H3Q _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Nov 21 12:28:49 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC SMILES 'OpenEye OEToolkits' 1.5.0 16889 PBU CCCC(=O)OC[C@H](CO[P@](=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16889 PBU CCCC(=O)OC[C@H](CO[P@@](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCC SMILES_CANONICAL CACTVS 3.341 16889 PBU CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCC SMILES CACTVS 3.341 16889 PBU DHAFWWKSHUBGAH-BXJBXBQISA-N InChIKey InChI 1.03 16889 PBU InChI=1S/C17H33O19P3/c1-3-5-10(18)31-7-9(33-11(19)6-4-2)8-32-39(29,30)36-15-12(20)13(21)16(34-37(23,24)25)17(14(15)22)35-38(26,27)28/h9,12-17,20-22H,3-8H2,1-2H3,(H,29,30)(H2,23,24,25)(H2,26,27,28)/t9-,12-,13+,14+,15-,16-,17-/m1/s1 InChI InChI 1.03 16889 PBU O=P(OC1C(O)C(O)C(OP(=O)(O)OCC(OC(=O)CCC)COC(=O)CCC)C(O)C1OP(=O)(O)O)(O)O SMILES ACDLabs 10.04 16889 PBU stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R)-1-butanoyloxy-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] butanoate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16889 PBU '(2R)-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate' 'SYSTEMATIC NAME' ACDLabs 10.04 16889 PBU stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID P1 . P1 . . P . . S 0 . . . . no no . . . . -6.394 . -22.639 . -14.306 . 0.710 0.123 -0.556 1 . 16889 PBU P4 . P4 . . P . . N 0 . . . . no no . . . . -14.636 . -20.818 . -16.724 . -7.000 1.095 -0.039 2 . 16889 PBU P5 . P5 . . P . . N 0 . . . . no no . . . . -11.512 . -22.143 . -19.400 . -5.014 -2.680 0.625 3 . 16889 PBU C3' . C3' . . C . . N 0 . . . . no no . . . . -4.922 . -21.949 . -16.219 . 3.093 -0.408 -0.610 4 . 16889 PBU C2' . C2' . . C . . R 0 . . . . no no . . . . -4.550 . -20.502 . -15.813 . 4.491 -0.203 -0.023 5 . 16889 PBU O2' . O2' . . O . . N 0 . . . . no no . . . . -4.267 . -19.762 . -16.989 . 4.907 1.172 -0.233 6 . 16889 PBU C1' . C1' . . C . . N 0 . . . . no no . . . . -3.314 . -20.460 . -14.882 . 5.478 -1.146 -0.713 7 . 16889 PBU O1' . O1' . . O . . N 0 . . . . no no . . . . -2.455 . -21.535 . -15.202 . 6.778 -1.036 -0.076 8 . 16889 PBU C1 . C1 . . C . . R 0 . . . . no no . . . . -8.959 . -21.729 . -15.400 . -1.683 0.522 -0.275 9 . 16889 PBU O1 . O1 . . O . . N 0 . . . . no no . . . . -7.638 . -22.510 . -15.414 . -0.424 0.888 0.293 10 . 16889 PBU C2 . C2 . . C . . R 0 . . . . no no . . . . -10.044 . -22.261 . -14.403 . -2.401 1.777 -0.775 11 . 16889 PBU O2 . O2 . . O . . N 0 . . . . no no . . . . -10.362 . -23.635 . -14.605 . -2.614 2.672 0.318 12 . 16889 PBU C3 . C3 . . C . . S 0 . . . . no no . . . . -11.338 . -21.423 . -14.509 . -3.749 1.385 -1.384 13 . 16889 PBU O3 . O3 . . O . . N 0 . . . . no no . . . . -12.287 . -21.963 . -13.579 . -4.419 2.557 -1.851 14 . 16889 PBU C4 . C4 . . C . . R 0 . . . . no no . . . . -11.896 . -21.414 . -15.984 . -4.607 0.696 -0.320 15 . 16889 PBU O4 . O4 . . O . . N 0 . . . . no no . . . . -13.136 . -20.541 . -16.051 . -5.866 0.330 -0.888 16 . 16889 PBU C5 . C5 . . C . . R 0 . . . . no no . . . . -10.770 . -20.866 . -16.949 . -3.889 -0.558 0.180 17 . 16889 PBU O5 . O5 . . O . . N 0 . . . . no no . . . . -11.268 . -20.916 . -18.326 . -4.691 -1.202 1.173 18 . 16889 PBU C6 . C6 . . C . . S 0 . . . . no no . . . . -9.458 . -21.683 . -16.857 . -2.541 -0.166 0.788 19 . 16889 PBU O6 . O6 . . O . . N 0 . . . . no no . . . . -8.403 . -21.112 . -17.645 . -1.870 -1.338 1.256 20 . 16889 PBU C7 . C7 . . C . . N 0 . . . . no no . . . . -5.359 . -19.162 . -17.663 . 5.736 1.764 0.641 21 . 16889 PBU O7 . O7 . . O . . N 0 . . . . no no . . . . -5.709 . -19.569 . -18.749 . 6.136 1.152 1.603 22 . 16889 PBU C8 . C8 . . C . . N 0 . . . . no no . . . . -6.117 . -17.998 . -17.002 . 6.168 3.191 0.423 23 . 16889 PBU C9 . C9 . . C . . N 0 . . . . no no . . . . -6.477 . -16.932 . -18.054 . 7.105 3.619 1.554 24 . 16889 PBU C10 . C10 . . C . . N 0 . . . . no no . . . . -7.339 . -15.837 . -17.400 . 7.543 5.068 1.333 25 . 16889 PBU C11 . C11 . . C . . N 0 . . . . no no . . . . -1.797 . -22.287 . -14.208 . 7.807 -1.776 -0.518 26 . 16889 PBU O11 . O11 . . O . . N 0 . . . . no no . . . . -1.887 . -22.078 . -13.013 . 7.651 -2.534 -1.446 27 . 16889 PBU C12 . C12 . . C . . N 0 . . . . no no . . . . -0.863 . -23.413 . -14.732 . 9.156 -1.663 0.143 28 . 16889 PBU C13 . C13 . . C . . N 0 . . . . no no . . . . -1.599 . -24.729 . -15.031 . 10.144 -2.606 -0.547 29 . 16889 PBU C14 . C14 . . C . . N 0 . . . . no no . . . . -0.791 . -25.942 . -14.535 . 11.514 -2.490 0.124 30 . 16889 PBU O41 . O41 . . O . . N 0 . . . . no no . . . . -15.503 . -20.323 . -15.569 . -6.717 2.548 -0.035 31 . 16889 PBU O42 . O42 . . O . . N 0 . . . . no no . . . . -14.689 . -19.958 . -17.958 . -8.441 0.832 -0.707 32 . 16889 PBU O43 . O43 . . O . . N 0 . . . . no no . . . . -14.783 . -22.290 . -17.071 . -7.001 0.544 1.474 33 . 16889 PBU O51 . O51 . . O . . N 0 . . . . no no . . . . -12.883 . -21.771 . -19.930 . -5.637 -2.584 -0.714 34 . 16889 PBU O52 . O52 . . O . . N 0 . . . . no no . . . . -10.333 . -22.017 . -20.351 . -3.647 -3.525 0.521 35 . 16889 PBU O53 . O53 . . O . . N 0 . . . . no no . . . . -11.497 . -23.375 . -18.526 . -6.025 -3.419 1.636 36 . 16889 PBU OP1 . OP1 . . O . . N 0 . . . . no no . . . . -5.120 . -22.771 . -15.088 . 2.151 0.387 0.112 37 . 16889 PBU OP2 . OP2 . . O . . N 0 . . . . no no . . . . -6.501 . -21.332 . -13.517 . 0.427 -1.330 -0.561 38 . 16889 PBU OP3 . OP3 . . O . . N 0 . . . . no no . . . . -6.692 . -23.917 . -13.567 . 0.711 0.674 -2.069 39 . 16889 PBU H3'1 . H3'1 . . H . . N 0 . . . . no no . . . . -4.140 . -22.346 . -16.800 . 3.092 -0.109 -1.659 40 . 16889 PBU H3'2 . H3'2 . . H . . N 0 . . . . no no . . . . -5.808 . -21.903 . -16.791 . 2.817 -1.460 -0.532 41 . 16889 PBU H2' . H2' . . H . . N 0 . . . . no no . . . . -5.348 . -20.078 . -15.271 . 4.470 -0.417 1.046 42 . 16889 PBU H1'1 . H1'1 . . H . . N 0 . . . . no no . . . . -2.771 . -19.570 . -15.043 . 5.565 -0.874 -1.765 43 . 16889 PBU H1'2 . H1'2 . . H . . N 0 . . . . no no . . . . -3.606 . -20.474 . -13.873 . 5.119 -2.171 -0.631 44 . 16889 PBU H1 . H1 . . H . . N 0 . . . . no no . . . . -8.768 . -20.721 . -15.023 . -1.520 -0.161 -1.109 45 . 16889 PBU H2 . H2 . . H . . N 0 . . . . no no . . . . -9.626 . -22.150 . -13.401 . -1.789 2.268 -1.533 46 . 16889 PBU H02 . H02 . . H . . N 0 . . . . no no . . . . -10.603 . -23.883 . -15.466 . -3.067 3.448 -0.040 47 . 16889 PBU H3 . H3 . . H . . N 0 . . . . no no . . . . -11.131 . -20.384 . -14.246 . -3.586 0.702 -2.218 48 . 16889 PBU H03 . H03 . . H . . N 0 . . . . no no . . . . -12.553 . -22.848 . -13.843 . -3.846 2.960 -2.518 49 . 16889 PBU H4 . H4 . . H . . N 0 . . . . no no . . . . -12.177 . -22.399 . -16.336 . -4.769 1.379 0.514 50 . 16889 PBU H5 . H5 . . H . . N 0 . . . . no no . . . . -10.590 . -19.839 . -16.632 . -3.727 -1.241 -0.654 51 . 16889 PBU H6 . H6 . . H . . N 0 . . . . no no . . . . -9.656 . -22.680 . -17.226 . -2.703 0.516 1.622 52 . 16889 PBU H06 . H06 . . H . . N 0 . . . . no no . . . . -8.495 . -21.318 . -18.559 . -1.028 -1.048 1.631 53 . 16889 PBU H81 . H81 . . H . . N 0 . . . . no no . . . . -5.512 . -17.563 . -16.262 . 6.690 3.271 -0.531 54 . 16889 PBU H82 . H82 . . H . . N 0 . . . . no no . . . . -6.999 . -18.367 . -16.568 . 5.291 3.838 0.413 55 . 16889 PBU H91 . H91 . . H . . N 0 . . . . no no . . . . -7.012 . -17.381 . -18.838 . 6.583 3.539 2.508 56 . 16889 PBU H92 . H92 . . H . . N 0 . . . . no no . . . . -5.602 . -16.493 . -18.433 . 7.982 2.972 1.565 57 . 16889 PBU H11 . H11 . . H . . N 0 . . . . no no . . . . -6.806 . -15.397 . -16.609 . 6.667 5.715 1.322 58 . 16889 PBU H12 . H12 . . H . . N 0 . . . . no no . . . . -8.226 . -16.262 . -17.032 . 8.211 5.373 2.139 59 . 16889 PBU H13 . H13 . . H . . N 0 . . . . no no . . . . -7.573 . -15.103 . -18.114 . 8.065 5.148 0.379 60 . 16889 PBU H121 . H121 . . H . . N 0 . . . . no no . . . . -0.403 . -23.075 . -15.616 . 9.069 -1.934 1.195 61 . 16889 PBU H122 . H122 . . H . . N 0 . . . . no no . . . . -0.136 . -23.595 . -13.995 . 9.516 -0.637 0.061 62 . 16889 PBU H131 . H131 . . H . . N 0 . . . . no no . . . . -2.529 . -24.717 . -14.540 . 10.230 -2.334 -1.599 63 . 16889 PBU H132 . H132 . . H . . N 0 . . . . no no . . . . -1.747 . -24.813 . -16.068 . 9.784 -3.631 -0.466 64 . 16889 PBU H141 . H141 . . H . . N 0 . . . . no no . . . . -0.601 . -25.836 . -13.508 . 11.873 -1.464 0.042 65 . 16889 PBU H142 . H142 . . H . . N 0 . . . . no no . . . . 0.117 . -26.024 . -15.052 . 11.427 -2.762 1.176 66 . 16889 PBU H143 . H143 . . H . . N 0 . . . . no no . . . . -1.351 . -26.818 . -14.701 . 12.217 -3.162 -0.368 67 . 16889 PBU H42 . H42 . . H . . N 0 . . . . no no . . . . -14.700 . -19.042 . -17.706 . -9.089 1.306 -0.170 68 . 16889 PBU H43 . H43 . . H . . N 0 . . . . no no . . . . -14.814 . -22.392 . -18.015 . -7.189 -0.403 1.426 69 . 16889 PBU H52 . H52 . . H . . N 0 . . . . no no . . . . -10.649 . -21.991 . -21.246 . -3.274 -3.563 1.412 70 . 16889 PBU H53 . H53 . . H . . N 0 . . . . no no . . . . -11.494 . -24.152 . -19.073 . -6.192 -4.299 1.272 71 . 16889 PBU HP3 . HP3 . . H . . N 0 . . . . no no . . . . -6.755 . -24.634 . -14.187 . 0.899 1.622 -2.021 72 . 16889 PBU stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING P1 O1 no N 1 . 16889 PBU 2 . SING P1 OP1 no N 2 . 16889 PBU 3 . DOUB P1 OP2 no N 3 . 16889 PBU 4 . SING P1 OP3 no N 4 . 16889 PBU 5 . SING P4 O4 no N 5 . 16889 PBU 6 . DOUB P4 O41 no N 6 . 16889 PBU 7 . SING P4 O42 no N 7 . 16889 PBU 8 . SING P4 O43 no N 8 . 16889 PBU 9 . SING P5 O5 no N 9 . 16889 PBU 10 . DOUB P5 O51 no N 10 . 16889 PBU 11 . SING P5 O52 no N 11 . 16889 PBU 12 . SING P5 O53 no N 12 . 16889 PBU 13 . SING C3' C2' no N 13 . 16889 PBU 14 . SING C3' OP1 no N 14 . 16889 PBU 15 . SING C3' H3'1 no N 15 . 16889 PBU 16 . SING C3' H3'2 no N 16 . 16889 PBU 17 . SING C2' O2' no N 17 . 16889 PBU 18 . SING C2' C1' no N 18 . 16889 PBU 19 . SING C2' H2' no N 19 . 16889 PBU 20 . SING O2' C7 no N 20 . 16889 PBU 21 . SING C1' O1' no N 21 . 16889 PBU 22 . SING C1' H1'1 no N 22 . 16889 PBU 23 . SING C1' H1'2 no N 23 . 16889 PBU 24 . SING O1' C11 no N 24 . 16889 PBU 25 . SING C1 O1 no N 25 . 16889 PBU 26 . SING C1 C2 no N 26 . 16889 PBU 27 . SING C1 C6 no N 27 . 16889 PBU 28 . SING C1 H1 no N 28 . 16889 PBU 29 . SING C2 O2 no N 29 . 16889 PBU 30 . SING C2 C3 no N 30 . 16889 PBU 31 . SING C2 H2 no N 31 . 16889 PBU 32 . SING O2 H02 no N 32 . 16889 PBU 33 . SING C3 O3 no N 33 . 16889 PBU 34 . SING C3 C4 no N 34 . 16889 PBU 35 . SING C3 H3 no N 35 . 16889 PBU 36 . SING O3 H03 no N 36 . 16889 PBU 37 . SING C4 O4 no N 37 . 16889 PBU 38 . SING C4 C5 no N 38 . 16889 PBU 39 . SING C4 H4 no N 39 . 16889 PBU 40 . SING C5 O5 no N 40 . 16889 PBU 41 . SING C5 C6 no N 41 . 16889 PBU 42 . SING C5 H5 no N 42 . 16889 PBU 43 . SING C6 O6 no N 43 . 16889 PBU 44 . SING C6 H6 no N 44 . 16889 PBU 45 . SING O6 H06 no N 45 . 16889 PBU 46 . DOUB C7 O7 no N 46 . 16889 PBU 47 . SING C7 C8 no N 47 . 16889 PBU 48 . SING C8 C9 no N 48 . 16889 PBU 49 . SING C8 H81 no N 49 . 16889 PBU 50 . SING C8 H82 no N 50 . 16889 PBU 51 . SING C9 C10 no N 51 . 16889 PBU 52 . SING C9 H91 no N 52 . 16889 PBU 53 . SING C9 H92 no N 53 . 16889 PBU 54 . SING C10 H11 no N 54 . 16889 PBU 55 . SING C10 H12 no N 55 . 16889 PBU 56 . SING C10 H13 no N 56 . 16889 PBU 57 . DOUB C11 O11 no N 57 . 16889 PBU 58 . SING C11 C12 no N 58 . 16889 PBU 59 . SING C12 C13 no N 59 . 16889 PBU 60 . SING C12 H121 no N 60 . 16889 PBU 61 . SING C12 H122 no N 61 . 16889 PBU 62 . SING C13 C14 no N 62 . 16889 PBU 63 . SING C13 H131 no N 63 . 16889 PBU 64 . SING C13 H132 no N 64 . 16889 PBU 65 . SING C14 H141 no N 65 . 16889 PBU 66 . SING C14 H142 no N 66 . 16889 PBU 67 . SING C14 H143 no N 67 . 16889 PBU 68 . SING O42 H42 no N 68 . 16889 PBU 69 . SING O43 H43 no N 69 . 16889 PBU 70 . SING O52 H52 no N 70 . 16889 PBU 71 . SING O53 H53 no N 71 . 16889 PBU 72 . SING OP3 HP3 no N 72 . 16889 PBU stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16889 _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 'HIV-2 myristoylated matrix protein' [U-15N] . . 1 $HIV-2 . . 0.8 . . mM . . . . 16889 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16889 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16889 1 4 Glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 16889 1 5 Aspartate 'natural abundance' . . . . . . 50 . . mM . . . . 16889 1 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16889 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16889 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16889 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16889 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HIV-2 myristoylated matrix protein' 'natural abundance' . . 1 $HIV-2 . . 0.8 . . mM . . . . 16889 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16889 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16889 2 4 Glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 16889 2 5 Aspartate 'natural abundance' . . . . . . 50 . . mM . . . . 16889 2 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16889 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16889 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16889 _Sample.ID 3 _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 'HIV-2 myristoylated matrix protein' '[U-13C; U-15N]' . . 1 $HIV-2 . . 0.8 . . mM . . . . 16889 3 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16889 3 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16889 3 4 Glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 16889 3 5 Aspartate 'natural abundance' . . . . . . 50 . . mM . . . . 16889 3 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16889 3 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16889 3 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16889 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16889 _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' 0.1 . M 16889 1 pH 6.3 . pH 16889 1 pressure 1 . atm 16889 1 temperature 308 . K 16889 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16889 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16889 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16889 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 16889 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16889 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 16889 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 800 . . . 16889 1 2 spectrometer_2 Bruker DMX . 600 . . . 16889 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 16889 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16889 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16889 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16889 1 4 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16889 1 5 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16889 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16889 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 16889 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl carbons' . . . . ppm 0 external direct 1 . . . . . . . . . 16889 1 H 1 water protons . . . . ppm 4.706 external direct 1 . . . . . . . . . 16889 1 N 15 urea nitrogen . . . . ppm 0 external direct 1 . . . . . . . . . 16889 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 16889 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16889 1 2 '3D 1H-15N NOESY' . . . 16889 1 3 '2D 1H-1H NOESY' . . . 16889 1 4 '3D HNCA' . . . 16889 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MYR H21 H 1 2.250 0.02 . 1 . . . . 1 MYR H21 . 16889 1 2 . 1 1 1 1 MYR H22 H 1 2.250 0.02 . 1 . . . . 1 MYR H22 . 16889 1 3 . 1 1 1 1 MYR H31 H 1 1.477 0.02 . 1 . . . . 1 MYR H31 . 16889 1 4 . 1 1 1 1 MYR H32 H 1 1.477 0.02 . 1 . . . . 1 MYR H32 . 16889 1 5 . 1 1 1 1 MYR H41 H 1 1.159 0.02 . 1 . . . . 1 MYR H41 . 16889 1 6 . 1 1 1 1 MYR H42 H 1 1.159 0.02 . 1 . . . . 1 MYR H42 . 16889 1 7 . 1 1 1 1 MYR H51 H 1 1.140 0.02 . 1 . . . . 1 MYR H51 . 16889 1 8 . 1 1 1 1 MYR H52 H 1 1.140 0.02 . 1 . . . . 1 MYR H52 . 16889 1 9 . 1 1 1 1 MYR H61 H 1 1.140 0.02 . 1 . . . . 1 MYR H61 . 16889 1 10 . 1 1 1 1 MYR H62 H 1 1.140 0.02 . 1 . . . . 1 MYR H62 . 16889 1 11 . 1 1 1 1 MYR H71 H 1 1.140 0.02 . 1 . . . . 1 MYR H71 . 16889 1 12 . 1 1 1 1 MYR H72 H 1 1.140 0.02 . 1 . . . . 1 MYR H72 . 16889 1 13 . 1 1 1 1 MYR H81 H 1 1.140 0.02 . 1 . . . . 1 MYR H81 . 16889 1 14 . 1 1 1 1 MYR H82 H 1 1.140 0.02 . 1 . . . . 1 MYR H82 . 16889 1 15 . 1 1 1 1 MYR H91 H 1 1.140 0.02 . 1 . . . . 1 MYR H91 . 16889 1 16 . 1 1 1 1 MYR H92 H 1 1.140 0.02 . 1 . . . . 1 MYR H92 . 16889 1 17 . 1 1 1 1 MYR H101 H 1 1.140 0.02 . 1 . . . . 1 MYR H101 . 16889 1 18 . 1 1 1 1 MYR H102 H 1 1.140 0.02 . 1 . . . . 1 MYR H102 . 16889 1 19 . 1 1 1 1 MYR H111 H 1 1.140 0.02 . 1 . . . . 1 MYR H111 . 16889 1 20 . 1 1 1 1 MYR H112 H 1 1.140 0.02 . 1 . . . . 1 MYR H112 . 16889 1 21 . 1 1 1 1 MYR H121 H 1 0.990 0.02 . 1 . . . . 1 MYR H121 . 16889 1 22 . 1 1 1 1 MYR H122 H 1 0.990 0.02 . 1 . . . . 1 MYR H122 . 16889 1 23 . 1 1 1 1 MYR H131 H 1 0.900 0.02 . 1 . . . . 1 MYR H131 . 16889 1 24 . 1 1 1 1 MYR H132 H 1 0.900 0.02 . 1 . . . . 1 MYR H132 . 16889 1 25 . 1 1 1 1 MYR H141 H 1 0.649 0.02 . 1 . . . . 1 MYR H141 . 16889 1 26 . 1 1 1 1 MYR H142 H 1 0.649 0.02 . 1 . . . . 1 MYR H142 . 16889 1 27 . 1 1 1 1 MYR H143 H 1 0.649 0.02 . 1 . . . . 1 MYR H143 . 16889 1 28 . 1 1 1 1 MYR C2 C 13 37.150 0.05 . 1 . . . . 1 MYR C2 . 16889 1 29 . 1 1 1 1 MYR C3 C 13 27.150 0.05 . 1 . . . . 1 MYR C3 . 16889 1 30 . 1 1 1 1 MYR C4 C 13 31.030 0.05 . 1 . . . . 1 MYR C4 . 16889 1 31 . 1 1 1 1 MYR C5 C 13 31.132 0.05 . 1 . . . . 1 MYR C5 . 16889 1 32 . 1 1 1 1 MYR C6 C 13 31.132 0.05 . 1 . . . . 1 MYR C6 . 16889 1 33 . 1 1 1 1 MYR C7 C 13 31.132 0.05 . 1 . . . . 1 MYR C7 . 16889 1 34 . 1 1 1 1 MYR C8 C 13 31.132 0.05 . 1 . . . . 1 MYR C8 . 16889 1 35 . 1 1 1 1 MYR C9 C 13 31.132 0.05 . 1 . . . . 1 MYR C9 . 16889 1 36 . 1 1 1 1 MYR C10 C 13 31.132 0.05 . 1 . . . . 1 MYR C10 . 16889 1 37 . 1 1 1 1 MYR C11 C 13 31.132 0.05 . 1 . . . . 1 MYR C11 . 16889 1 38 . 1 1 1 1 MYR C12 C 13 33.265 0.05 . 1 . . . . 1 MYR C12 . 16889 1 39 . 1 1 1 1 MYR C13 C 13 24.002 0.05 . 1 . . . . 1 MYR C13 . 16889 1 40 . 1 1 1 1 MYR C14 C 13 15.880 0.05 . 1 . . . . 1 MYR C14 . 16889 1 41 . 1 1 2 2 GLY H H 1 8.500 0.02 . 1 . . . . 2 GLY H . 16889 1 42 . 1 1 2 2 GLY HA2 H 1 3.868 0.02 . 2 . . . . 2 GLY HA2 . 16889 1 43 . 1 1 2 2 GLY HA3 H 1 3.878 0.02 . 2 . . . . 2 GLY HA3 . 16889 1 44 . 1 1 2 2 GLY CA C 13 43.308 0.05 . 1 . . . . 2 GLY CA . 16889 1 45 . 1 1 2 2 GLY N N 15 113.723 0.05 . 1 . . . . 2 GLY N . 16889 1 46 . 1 1 3 3 ALA H H 1 8.370 0.02 . 1 . . . . 3 ALA H . 16889 1 47 . 1 1 3 3 ALA HA H 1 4.308 0.02 . 1 . . . . 3 ALA HA . 16889 1 48 . 1 1 3 3 ALA CA C 13 50.192 0.05 . 1 . . . . 3 ALA CA . 16889 1 49 . 1 1 3 3 ALA N N 15 123.328 0.05 . 1 . . . . 3 ALA N . 16889 1 50 . 1 1 4 4 ARG H H 1 8.093 0.02 . 1 . . . . 4 ARG H . 16889 1 51 . 1 1 4 4 ARG HA H 1 4.556 0.02 . 1 . . . . 4 ARG HA . 16889 1 52 . 1 1 4 4 ARG CA C 13 53.845 0.05 . 1 . . . . 4 ARG CA . 16889 1 53 . 1 1 4 4 ARG N N 15 117.313 0.05 . 1 . . . . 4 ARG N . 16889 1 54 . 1 1 7 7 VAL H H 1 7.672 0.02 . 1 . . . . 7 VAL H . 16889 1 55 . 1 1 7 7 VAL HA H 1 3.936 0.02 . 1 . . . . 7 VAL HA . 16889 1 56 . 1 1 7 7 VAL HB H 1 2.045 0.02 . 1 . . . . 7 VAL HB . 16889 1 57 . 1 1 7 7 VAL HG11 H 1 0.900 0.02 . 1 . . . . 7 VAL HG1 . 16889 1 58 . 1 1 7 7 VAL HG12 H 1 0.900 0.02 . 1 . . . . 7 VAL HG1 . 16889 1 59 . 1 1 7 7 VAL HG13 H 1 0.900 0.02 . 1 . . . . 7 VAL HG1 . 16889 1 60 . 1 1 7 7 VAL CA C 13 62.727 0.05 . 1 . . . . 7 VAL CA . 16889 1 61 . 1 1 7 7 VAL CG1 C 13 18.854 0.05 . 2 . . . . 7 VAL CG1 . 16889 1 62 . 1 1 7 7 VAL N N 15 116.984 0.05 . 1 . . . . 7 VAL N . 16889 1 63 . 1 1 8 8 LEU H H 1 7.734 0.02 . 1 . . . . 8 LEU H . 16889 1 64 . 1 1 8 8 LEU HA H 1 4.254 0.02 . 1 . . . . 8 LEU HA . 16889 1 65 . 1 1 8 8 LEU HB2 H 1 1.638 0.02 . 2 . . . . 8 LEU HB2 . 16889 1 66 . 1 1 8 8 LEU HB3 H 1 1.032 0.02 . 2 . . . . 8 LEU HB3 . 16889 1 67 . 1 1 8 8 LEU HD11 H 1 0.977 0.02 . 1 . . . . 8 LEU HD1 . 16889 1 68 . 1 1 8 8 LEU HD12 H 1 0.977 0.02 . 1 . . . . 8 LEU HD1 . 16889 1 69 . 1 1 8 8 LEU HD13 H 1 0.977 0.02 . 1 . . . . 8 LEU HD1 . 16889 1 70 . 1 1 8 8 LEU HD21 H 1 0.839 0.02 . 1 . . . . 8 LEU HD2 . 16889 1 71 . 1 1 8 8 LEU HD22 H 1 0.839 0.02 . 1 . . . . 8 LEU HD2 . 16889 1 72 . 1 1 8 8 LEU HD23 H 1 0.839 0.02 . 1 . . . . 8 LEU HD2 . 16889 1 73 . 1 1 8 8 LEU HG H 1 1.471 0.02 . 1 . . . . 8 LEU HG . 16889 1 74 . 1 1 8 8 LEU CA C 13 50.637 0.05 . 1 . . . . 8 LEU CA . 16889 1 75 . 1 1 8 8 LEU CB C 13 40.114 0.05 . 1 . . . . 8 LEU CB . 16889 1 76 . 1 1 8 8 LEU CD1 C 13 23.941 0.05 . 2 . . . . 8 LEU CD1 . 16889 1 77 . 1 1 8 8 LEU CD2 C 13 20.750 0.05 . 2 . . . . 8 LEU CD2 . 16889 1 78 . 1 1 8 8 LEU CG C 13 24.454 0.05 . 1 . . . . 8 LEU CG . 16889 1 79 . 1 1 8 8 LEU N N 15 120.949 0.05 . 1 . . . . 8 LEU N . 16889 1 80 . 1 1 9 9 ARG H H 1 8.2526 0.02 . 1 . . . . 9 ARG H . 16889 1 81 . 1 1 9 9 ARG HA H 1 4.506 0.02 . 1 . . . . 9 ARG HA . 16889 1 82 . 1 1 9 9 ARG HB2 H 1 1.590 0.02 . 2 . . . . 9 ARG HB2 . 16889 1 83 . 1 1 9 9 ARG HB3 H 1 1.547 0.02 . 2 . . . . 9 ARG HB3 . 16889 1 84 . 1 1 9 9 ARG HG2 H 1 1.780 0.02 . 2 . . . . 9 ARG HG2 . 16889 1 85 . 1 1 9 9 ARG HG3 H 1 1.726 0.02 . 2 . . . . 9 ARG HG3 . 16889 1 86 . 1 1 9 9 ARG N N 15 114.82 0.05 . 1 . . . . 9 ARG N . 16889 1 87 . 1 1 10 10 GLY H H 1 8.289 0.02 . 1 . . . . 10 GLY H . 16889 1 88 . 1 1 10 10 GLY HA2 H 1 3.980 0.02 . 2 . . . . 10 GLY HA2 . 16889 1 89 . 1 1 10 10 GLY CA C 13 43.914 0.05 . 1 . . . . 10 GLY CA . 16889 1 90 . 1 1 10 10 GLY N N 15 109.230 0.05 . 1 . . . . 10 GLY N . 16889 1 91 . 1 1 11 11 LYS H H 1 8.420 0.02 . 1 . . . . 11 LYS H . 16889 1 92 . 1 1 11 11 LYS HA H 1 4.128 0.02 . 1 . . . . 11 LYS HA . 16889 1 93 . 1 1 11 11 LYS HB2 H 1 1.885 0.02 . 2 . . . . 11 LYS HB2 . 16889 1 94 . 1 1 11 11 LYS HG2 H 1 1.526 0.02 . 2 . . . . 11 LYS HG2 . 16889 1 95 . 1 1 11 11 LYS CA C 13 56.465 0.05 . 1 . . . . 11 LYS CA . 16889 1 96 . 1 1 11 11 LYS CB C 13 29.451 0.05 . 1 . . . . 11 LYS CB . 16889 1 97 . 1 1 11 11 LYS N N 15 120.438 0.05 . 1 . . . . 11 LYS N . 16889 1 98 . 1 1 12 12 LYS H H 1 8.420 0.02 . 1 . . . . 12 LYS H . 16889 1 99 . 1 1 12 12 LYS HA H 1 3.938 0.02 . 1 . . . . 12 LYS HA . 16889 1 100 . 1 1 12 12 LYS HB2 H 1 1.837 0.02 . 2 . . . . 12 LYS HB2 . 16889 1 101 . 1 1 12 12 LYS HD2 H 1 1.520 0.02 . 2 . . . . 12 LYS HD2 . 16889 1 102 . 1 1 12 12 LYS HG2 H 1 1.805 0.02 . 2 . . . . 12 LYS HG2 . 16889 1 103 . 1 1 12 12 LYS CA C 13 57.606 0.05 . 1 . . . . 12 LYS CA . 16889 1 104 . 1 1 12 12 LYS CB C 13 29.894 0.05 . 1 . . . . 12 LYS CB . 16889 1 105 . 1 1 12 12 LYS CD C 13 26.852 0.05 . 1 . . . . 12 LYS CD . 16889 1 106 . 1 1 12 12 LYS CG C 13 21.957 0.05 . 1 . . . . 12 LYS CG . 16889 1 107 . 1 1 12 12 LYS N N 15 117.539 0.05 . 1 . . . . 12 LYS N . 16889 1 108 . 1 1 13 13 ALA H H 1 7.283 0.02 . 1 . . . . 13 ALA H . 16889 1 109 . 1 1 13 13 ALA HA H 1 3.872 0.02 . 1 . . . . 13 ALA HA . 16889 1 110 . 1 1 13 13 ALA HB1 H 1 1.365 0.02 . 1 . . . . 13 ALA HB1 . 16889 1 111 . 1 1 13 13 ALA HB2 H 1 1.365 0.02 . 1 . . . . 13 ALA HB1 . 16889 1 112 . 1 1 13 13 ALA HB3 H 1 1.365 0.02 . 1 . . . . 13 ALA HB1 . 16889 1 113 . 1 1 13 13 ALA CA C 13 52.018 0.05 . 1 . . . . 13 ALA CA . 16889 1 114 . 1 1 13 13 ALA CB C 13 15.157 0.05 . 1 . . . . 13 ALA CB . 16889 1 115 . 1 1 13 13 ALA N N 15 120.58 0.05 . 1 . . . . 13 ALA N . 16889 1 116 . 1 1 14 14 ASP H H 1 7.690 0.02 . 1 . . . . 14 ASP H . 16889 1 117 . 1 1 14 14 ASP HA H 1 4.269 0.02 . 1 . . . . 14 ASP HA . 16889 1 118 . 1 1 14 14 ASP HB2 H 1 2.752 0.02 . 2 . . . . 14 ASP HB2 . 16889 1 119 . 1 1 14 14 ASP HB3 H 1 2.610 0.02 . 2 . . . . 14 ASP HB3 . 16889 1 120 . 1 1 14 14 ASP CA C 13 54.570 0.05 . 1 . . . . 14 ASP CA . 16889 1 121 . 1 1 14 14 ASP CB C 13 37.723 0.05 . 1 . . . . 14 ASP CB . 16889 1 122 . 1 1 14 14 ASP N N 15 116.646 0.05 . 1 . . . . 14 ASP N . 16889 1 123 . 1 1 15 15 GLU H H 1 7.686 0.02 . 1 . . . . 15 GLU H . 16889 1 124 . 1 1 15 15 GLU HA H 1 3.920 0.02 . 1 . . . . 15 GLU HA . 16889 1 125 . 1 1 15 15 GLU HB2 H 1 2.074 0.02 . 2 . . . . 15 GLU HB2 . 16889 1 126 . 1 1 15 15 GLU HB3 H 1 1.906 0.02 . 2 . . . . 15 GLU HB3 . 16889 1 127 . 1 1 15 15 GLU HG2 H 1 2.306 0.02 . 2 . . . . 15 GLU HG2 . 16889 1 128 . 1 1 15 15 GLU CA C 13 56.078 0.05 . 1 . . . . 15 GLU CA . 16889 1 129 . 1 1 15 15 GLU CB C 13 26.548 0.05 . 1 . . . . 15 GLU CB . 16889 1 130 . 1 1 15 15 GLU CG C 13 32.690 0.05 . 1 . . . . 15 GLU CG . 16889 1 131 . 1 1 15 15 GLU N N 15 117.779 0.05 . 1 . . . . 15 GLU N . 16889 1 132 . 1 1 16 16 LEU H H 1 7.679 0.02 . 1 . . . . 16 LEU H . 16889 1 133 . 1 1 16 16 LEU HA H 1 3.717 0.02 . 1 . . . . 16 LEU HA . 16889 1 134 . 1 1 16 16 LEU HB2 H 1 2.015 0.02 . 2 . . . . 16 LEU HB2 . 16889 1 135 . 1 1 16 16 LEU HB3 H 1 1.384 0.02 . 2 . . . . 16 LEU HB3 . 16889 1 136 . 1 1 16 16 LEU HD11 H 1 0.531 0.02 . 1 . . . . 16 LEU HD1 . 16889 1 137 . 1 1 16 16 LEU HD12 H 1 0.531 0.02 . 1 . . . . 16 LEU HD1 . 16889 1 138 . 1 1 16 16 LEU HD13 H 1 0.531 0.02 . 1 . . . . 16 LEU HD1 . 16889 1 139 . 1 1 16 16 LEU HD21 H 1 0.666 0.02 . 1 . . . . 16 LEU HD2 . 16889 1 140 . 1 1 16 16 LEU HD22 H 1 0.666 0.02 . 1 . . . . 16 LEU HD2 . 16889 1 141 . 1 1 16 16 LEU HD23 H 1 0.666 0.02 . 1 . . . . 16 LEU HD2 . 16889 1 142 . 1 1 16 16 LEU HG H 1 1.416 0.02 . 1 . . . . 16 LEU HG . 16889 1 143 . 1 1 16 16 LEU CA C 13 55.857 0.05 . 1 . . . . 16 LEU CA . 16889 1 144 . 1 1 16 16 LEU CB C 13 38.871 0.05 . 1 . . . . 16 LEU CB . 16889 1 145 . 1 1 16 16 LEU CD1 C 13 22.811 0.05 . 2 . . . . 16 LEU CD1 . 16889 1 146 . 1 1 16 16 LEU CD2 C 13 21.077 0.05 . 2 . . . . 16 LEU CD2 . 16889 1 147 . 1 1 16 16 LEU CG C 13 23.936 0.05 . 1 . . . . 16 LEU CG . 16889 1 148 . 1 1 16 16 LEU N N 15 119.938 0.05 . 1 . . . . 16 LEU N . 16889 1 149 . 1 1 17 17 GLU H H 1 7.057 0.02 . 1 . . . . 17 GLU H . 16889 1 150 . 1 1 17 17 GLU HA H 1 4.648 0.02 . 1 . . . . 17 GLU HA . 16889 1 151 . 1 1 17 17 GLU HB2 H 1 2.272 0.02 . 2 . . . . 17 GLU HB2 . 16889 1 152 . 1 1 17 17 GLU HB3 H 1 2.139 0.02 . 2 . . . . 17 GLU HB3 . 16889 1 153 . 1 1 17 17 GLU HG2 H 1 2.677 0.02 . 2 . . . . 17 GLU HG2 . 16889 1 154 . 1 1 17 17 GLU HG3 H 1 2.420 0.02 . 2 . . . . 17 GLU HG3 . 16889 1 155 . 1 1 17 17 GLU CA C 13 54.522 0.05 . 1 . . . . 17 GLU CA . 16889 1 156 . 1 1 17 17 GLU CB C 13 26.644 0.05 . 1 . . . . 17 GLU CB . 16889 1 157 . 1 1 17 17 GLU CG C 13 34.621 0.05 . 1 . . . . 17 GLU CG . 16889 1 158 . 1 1 17 17 GLU N N 15 110.331 0.05 . 1 . . . . 17 GLU N . 16889 1 159 . 1 1 18 18 ARG H H 1 7.363 0.02 . 1 . . . . 18 ARG H . 16889 1 160 . 1 1 18 18 ARG HA H 1 4.413 0.02 . 1 . . . . 18 ARG HA . 16889 1 161 . 1 1 18 18 ARG HB2 H 1 2.044 0.02 . 2 . . . . 18 ARG HB2 . 16889 1 162 . 1 1 18 18 ARG HB3 H 1 1.891 0.02 . 2 . . . . 18 ARG HB3 . 16889 1 163 . 1 1 18 18 ARG HG2 H 1 1.848 0.02 . 2 . . . . 18 ARG HG2 . 16889 1 164 . 1 1 18 18 ARG HG3 H 1 1.668 0.02 . 2 . . . . 18 ARG HG3 . 16889 1 165 . 1 1 18 18 ARG CA C 13 53.773 0.05 . 1 . . . . 18 ARG CA . 16889 1 166 . 1 1 18 18 ARG CB C 13 28.773 0.05 . 1 . . . . 18 ARG CB . 16889 1 167 . 1 1 18 18 ARG CG C 13 25.257 0.05 . 1 . . . . 18 ARG CG . 16889 1 168 . 1 1 18 18 ARG N N 15 115.400 0.05 . 1 . . . . 18 ARG N . 16889 1 169 . 1 1 19 19 ILE H H 1 7.920 0.02 . 1 . . . . 19 ILE H . 16889 1 170 . 1 1 19 19 ILE HA H 1 3.713 0.02 . 1 . . . . 19 ILE HA . 16889 1 171 . 1 1 19 19 ILE HB H 1 2.054 0.02 . 1 . . . . 19 ILE HB . 16889 1 172 . 1 1 19 19 ILE HD11 H 1 0.660 0.02 . 1 . . . . 19 ILE HD1 . 16889 1 173 . 1 1 19 19 ILE HD12 H 1 0.660 0.02 . 1 . . . . 19 ILE HD1 . 16889 1 174 . 1 1 19 19 ILE HD13 H 1 0.660 0.02 . 1 . . . . 19 ILE HD1 . 16889 1 175 . 1 1 19 19 ILE HG12 H 1 1.278 0.02 . 1 . . . . 19 ILE HG12 . 16889 1 176 . 1 1 19 19 ILE HG13 H 1 0.931 0.02 . 1 . . . . 19 ILE HG13 . 16889 1 177 . 1 1 19 19 ILE HG21 H 1 0.660 0.02 . 1 . . . . 19 ILE HG2 . 16889 1 178 . 1 1 19 19 ILE HG22 H 1 0.660 0.02 . 1 . . . . 19 ILE HG2 . 16889 1 179 . 1 1 19 19 ILE HG23 H 1 0.660 0.02 . 1 . . . . 19 ILE HG2 . 16889 1 180 . 1 1 19 19 ILE CA C 13 59.810 0.05 . 1 . . . . 19 ILE CA . 16889 1 181 . 1 1 19 19 ILE CB C 13 35.785 0.05 . 1 . . . . 19 ILE CB . 16889 1 182 . 1 1 19 19 ILE CD1 C 13 12.140 0.05 . 1 . . . . 19 ILE CD1 . 16889 1 183 . 1 1 19 19 ILE CG1 C 13 25.092 0.05 . 1 . . . . 19 ILE CG1 . 16889 1 184 . 1 1 19 19 ILE CG2 C 13 14.148 0.05 . 1 . . . . 19 ILE CG2 . 16889 1 185 . 1 1 19 19 ILE N N 15 122.692 0.05 . 1 . . . . 19 ILE N . 16889 1 186 . 1 1 20 20 ARG H H 1 8.128 0.02 . 1 . . . . 20 ARG H . 16889 1 187 . 1 1 20 20 ARG HA H 1 4.517 0.02 . 1 . . . . 20 ARG HA . 16889 1 188 . 1 1 20 20 ARG HB2 H 1 1.854 0.02 . 2 . . . . 20 ARG HB2 . 16889 1 189 . 1 1 20 20 ARG HB3 H 1 1.637 0.02 . 2 . . . . 20 ARG HB3 . 16889 1 190 . 1 1 20 20 ARG HD2 H 1 2.900 0.02 . 2 . . . . 20 ARG HD2 . 16889 1 191 . 1 1 20 20 ARG HG2 H 1 2.121 0.02 . 2 . . . . 20 ARG HG2 . 16889 1 192 . 1 1 20 20 ARG HG3 H 1 1.678 0.02 . 2 . . . . 20 ARG HG3 . 16889 1 193 . 1 1 20 20 ARG CA C 13 53.810 0.05 . 1 . . . . 20 ARG CA . 16889 1 194 . 1 1 20 20 ARG CB C 13 26.404 0.05 . 1 . . . . 20 ARG CB . 16889 1 195 . 1 1 20 20 ARG CD C 13 39.320 0.05 . 1 . . . . 20 ARG CD . 16889 1 196 . 1 1 20 20 ARG CG C 13 28.820 0.05 . 1 . . . . 20 ARG CG . 16889 1 197 . 1 1 20 20 ARG N N 15 125.826 0.05 . 1 . . . . 20 ARG N . 16889 1 198 . 1 1 21 21 LEU H H 1 7.999 0.02 . 1 . . . . 21 LEU H . 16889 1 199 . 1 1 21 21 LEU HB2 H 1 1.242 0.02 . 2 . . . . 21 LEU HB2 . 16889 1 200 . 1 1 21 21 LEU HB3 H 1 1.510 0.02 . 2 . . . . 21 LEU HB3 . 16889 1 201 . 1 1 21 21 LEU HD11 H 1 0.331 0.02 . 1 . . . . 21 LEU HD1 . 16889 1 202 . 1 1 21 21 LEU HD12 H 1 0.331 0.02 . 1 . . . . 21 LEU HD1 . 16889 1 203 . 1 1 21 21 LEU HD13 H 1 0.331 0.02 . 1 . . . . 21 LEU HD1 . 16889 1 204 . 1 1 21 21 LEU HD21 H 1 -0.410 0.02 . 1 . . . . 21 LEU HD2 . 16889 1 205 . 1 1 21 21 LEU HD22 H 1 -0.410 0.02 . 1 . . . . 21 LEU HD2 . 16889 1 206 . 1 1 21 21 LEU HD23 H 1 -0.410 0.02 . 1 . . . . 21 LEU HD2 . 16889 1 207 . 1 1 21 21 LEU HG H 1 0.794 0.02 . 1 . . . . 21 LEU HG . 16889 1 208 . 1 1 21 21 LEU CB C 13 39.222 0.05 . 1 . . . . 21 LEU CB . 16889 1 209 . 1 1 21 21 LEU CD1 C 13 21.703 0.05 . 2 . . . . 21 LEU CD1 . 16889 1 210 . 1 1 21 21 LEU CD2 C 13 18.204 0.05 . 2 . . . . 21 LEU CD2 . 16889 1 211 . 1 1 21 21 LEU CG C 13 24.952 0.05 . 1 . . . . 21 LEU CG . 16889 1 212 . 1 1 21 21 LEU N N 15 120.611 0.05 . 1 . . . . 21 LEU N . 16889 1 213 . 1 1 22 22 ARG H H 1 9.0596 0.02 . 1 . . . . 22 ARG H . 16889 1 214 . 1 1 22 22 ARG HA H 1 4.954 0.02 . 1 . . . . 22 ARG HA . 16889 1 215 . 1 1 22 22 ARG HB2 H 1 1.631 0.02 . 2 . . . . 22 ARG HB2 . 16889 1 216 . 1 1 22 22 ARG HB3 H 1 1.652 0.02 . 2 . . . . 22 ARG HB3 . 16889 1 217 . 1 1 22 22 ARG HD2 H 1 3.254 0.02 . 2 . . . . 22 ARG HD2 . 16889 1 218 . 1 1 22 22 ARG HG2 H 1 1.593 0.02 . 2 . . . . 22 ARG HG2 . 16889 1 219 . 1 1 22 22 ARG HG3 H 1 1.522 0.02 . 2 . . . . 22 ARG HG3 . 16889 1 220 . 1 1 22 22 ARG CA C 13 49.692 0.05 . 1 . . . . 22 ARG CA . 16889 1 221 . 1 1 22 22 ARG CB C 13 28.917 0.05 . 1 . . . . 22 ARG CB . 16889 1 222 . 1 1 22 22 ARG CD C 13 40.764 0.05 . 1 . . . . 22 ARG CD . 16889 1 223 . 1 1 22 22 ARG CG C 13 23.989 0.05 . 1 . . . . 22 ARG CG . 16889 1 224 . 1 1 22 22 ARG N N 15 119.455 0.05 . 1 . . . . 22 ARG N . 16889 1 225 . 1 1 23 23 PRO HA H 1 4.432 0.02 . 1 . . . . 23 PRO HA . 16889 1 226 . 1 1 23 23 PRO HB2 H 1 2.315 0.02 . 2 . . . . 23 PRO HB2 . 16889 1 227 . 1 1 23 23 PRO HD2 H 1 3.715 0.02 . 2 . . . . 23 PRO HD2 . 16889 1 228 . 1 1 23 23 PRO HG2 H 1 1.990 0.02 . 2 . . . . 23 PRO HG2 . 16889 1 229 . 1 1 23 23 PRO CA C 13 60.572 0.05 . 1 . . . . 23 PRO CA . 16889 1 230 . 1 1 23 23 PRO CB C 13 29.256 0.05 . 1 . . . . 23 PRO CB . 16889 1 231 . 1 1 23 23 PRO CD C 13 48.070 0.05 . 1 . . . . 23 PRO CD . 16889 1 232 . 1 1 23 23 PRO CG C 13 25.099 0.05 . 1 . . . . 23 PRO CG . 16889 1 233 . 1 1 24 24 GLY H H 1 9.132 0.02 . 1 . . . . 24 GLY H . 16889 1 234 . 1 1 24 24 GLY HA2 H 1 4.000 0.02 . 2 . . . . 24 GLY HA2 . 16889 1 235 . 1 1 24 24 GLY HA3 H 1 3.811 0.02 . 2 . . . . 24 GLY HA3 . 16889 1 236 . 1 1 24 24 GLY CA C 13 41.200 0.05 . 1 . . . . 24 GLY CA . 16889 1 237 . 1 1 24 24 GLY N N 15 112.373 0.05 . 1 . . . . 24 GLY N . 16889 1 238 . 1 1 25 25 GLY H H 1 8.165 0.02 . 1 . . . . 25 GLY H . 16889 1 239 . 1 1 25 25 GLY HA2 H 1 4.233 0.02 . 2 . . . . 25 GLY HA2 . 16889 1 240 . 1 1 25 25 GLY HA3 H 1 4.224 0.02 . 2 . . . . 25 GLY HA3 . 16889 1 241 . 1 1 25 25 GLY CA C 13 41.684 0.05 . 1 . . . . 25 GLY CA . 16889 1 242 . 1 1 25 25 GLY N N 15 108.116 0.05 . 1 . . . . 25 GLY N . 16889 1 243 . 1 1 27 27 LYS H H 1 7.687 0.02 . 1 . . . . 27 LYS H . 16889 1 244 . 1 1 27 27 LYS HA H 1 4.392 0.02 . 1 . . . . 27 LYS HA . 16889 1 245 . 1 1 27 27 LYS HB2 H 1 1.827 0.02 . 2 . . . . 27 LYS HB2 . 16889 1 246 . 1 1 27 27 LYS HD2 H 1 1.660 0.02 . 2 . . . . 27 LYS HD2 . 16889 1 247 . 1 1 27 27 LYS HE2 H 1 2.979 0.02 . 2 . . . . 27 LYS HE2 . 16889 1 248 . 1 1 27 27 LYS HG2 H 1 1.597 0.02 . 2 . . . . 27 LYS HG2 . 16889 1 249 . 1 1 27 27 LYS CA C 13 54.527 0.05 . 1 . . . . 27 LYS CA . 16889 1 250 . 1 1 27 27 LYS CB C 13 31.248 0.05 . 1 . . . . 27 LYS CB . 16889 1 251 . 1 1 27 27 LYS CD C 13 26.326 0.05 . 1 . . . . 27 LYS CD . 16889 1 252 . 1 1 27 27 LYS CE C 13 39.237 0.05 . 1 . . . . 27 LYS CE . 16889 1 253 . 1 1 27 27 LYS CG C 13 22.919 0.05 . 1 . . . . 27 LYS CG . 16889 1 254 . 1 1 27 27 LYS N N 15 117.937 0.05 . 1 . . . . 27 LYS N . 16889 1 255 . 1 1 28 28 LYS H H 1 8.535 0.02 . 1 . . . . 28 LYS H . 16889 1 256 . 1 1 28 28 LYS HA H 1 4.944 0.02 . 1 . . . . 28 LYS HA . 16889 1 257 . 1 1 28 28 LYS HB2 H 1 1.610 0.02 . 2 . . . . 28 LYS HB2 . 16889 1 258 . 1 1 28 28 LYS HB3 H 1 1.550 0.02 . 2 . . . . 28 LYS HB3 . 16889 1 259 . 1 1 28 28 LYS HD2 H 1 1.656 0.02 . 2 . . . . 28 LYS HD2 . 16889 1 260 . 1 1 28 28 LYS HE2 H 1 2.928 0.02 . 2 . . . . 28 LYS HE2 . 16889 1 261 . 1 1 28 28 LYS HG2 H 1 1.204 0.02 . 2 . . . . 28 LYS HG2 . 16889 1 262 . 1 1 28 28 LYS CA C 13 52.234 0.05 . 1 . . . . 28 LYS CA . 16889 1 263 . 1 1 28 28 LYS CB C 13 33.312 0.05 . 1 . . . . 28 LYS CB . 16889 1 264 . 1 1 28 28 LYS CD C 13 26.357 0.05 . 1 . . . . 28 LYS CD . 16889 1 265 . 1 1 28 28 LYS CE C 13 39.570 0.05 . 1 . . . . 28 LYS CE . 16889 1 266 . 1 1 28 28 LYS CG C 13 22.854 0.05 . 1 . . . . 28 LYS CG . 16889 1 267 . 1 1 28 28 LYS N N 15 123.906 0.05 . 1 . . . . 28 LYS N . 16889 1 268 . 1 1 29 29 TYR H H 1 8.048 0.02 . 1 . . . . 29 TYR H . 16889 1 269 . 1 1 29 29 TYR HA H 1 3.928 0.02 . 1 . . . . 29 TYR HA . 16889 1 270 . 1 1 29 29 TYR HB2 H 1 1.991 0.02 . 2 . . . . 29 TYR HB2 . 16889 1 271 . 1 1 29 29 TYR HB3 H 1 2.530 0.02 . 2 . . . . 29 TYR HB3 . 16889 1 272 . 1 1 29 29 TYR HD2 H 1 6.747 0.02 . 1 . . . . 29 TYR HD2 . 16889 1 273 . 1 1 29 29 TYR HE2 H 1 6.746 0.02 . 1 . . . . 29 TYR HE2 . 16889 1 274 . 1 1 29 29 TYR CA C 13 58.279 0.05 . 1 . . . . 29 TYR CA . 16889 1 275 . 1 1 29 29 TYR CB C 13 33.848 0.05 . 1 . . . . 29 TYR CB . 16889 1 276 . 1 1 29 29 TYR CD2 C 13 135.185 0.05 . 1 . . . . 29 TYR CD2 . 16889 1 277 . 1 1 29 29 TYR CE2 C 13 115.052 0.05 . 1 . . . . 29 TYR CE2 . 16889 1 278 . 1 1 29 29 TYR N N 15 118.079 0.05 . 1 . . . . 29 TYR N . 16889 1 279 . 1 1 30 30 ARG H H 1 10.406 0.02 . 1 . . . . 30 ARG H . 16889 1 280 . 1 1 30 30 ARG HA H 1 4.941 0.02 . 1 . . . . 30 ARG HA . 16889 1 281 . 1 1 30 30 ARG HB2 H 1 1.531 0.02 . 2 . . . . 30 ARG HB2 . 16889 1 282 . 1 1 30 30 ARG HB3 H 1 1.561 0.02 . 2 . . . . 30 ARG HB3 . 16889 1 283 . 1 1 30 30 ARG HD2 H 1 3.265 0.02 . 2 . . . . 30 ARG HD2 . 16889 1 284 . 1 1 30 30 ARG HG2 H 1 1.782 0.02 . 2 . . . . 30 ARG HG2 . 16889 1 285 . 1 1 30 30 ARG CA C 13 50.197 0.05 . 1 . . . . 30 ARG CA . 16889 1 286 . 1 1 30 30 ARG CB C 13 32.831 0.05 . 1 . . . . 30 ARG CB . 16889 1 287 . 1 1 30 30 ARG CD C 13 40.841 0.05 . 1 . . . . 30 ARG CD . 16889 1 288 . 1 1 30 30 ARG CG C 13 24.007 0.05 . 1 . . . . 30 ARG CG . 16889 1 289 . 1 1 30 30 ARG N N 15 119.513 0.05 . 1 . . . . 30 ARG N . 16889 1 290 . 1 1 31 31 LEU H H 1 8.998 0.02 . 1 . . . . 31 LEU H . 16889 1 291 . 1 1 31 31 LEU HA H 1 3.995 0.02 . 1 . . . . 31 LEU HA . 16889 1 292 . 1 1 31 31 LEU HB2 H 1 1.590 0.02 . 2 . . . . 31 LEU HB2 . 16889 1 293 . 1 1 31 31 LEU HB3 H 1 1.642 0.02 . 2 . . . . 31 LEU HB3 . 16889 1 294 . 1 1 31 31 LEU HD11 H 1 0.892 0.02 . 1 . . . . 31 LEU HD1 . 16889 1 295 . 1 1 31 31 LEU HD12 H 1 0.892 0.02 . 1 . . . . 31 LEU HD1 . 16889 1 296 . 1 1 31 31 LEU HD13 H 1 0.892 0.02 . 1 . . . . 31 LEU HD1 . 16889 1 297 . 1 1 31 31 LEU HD21 H 1 0.817 0.02 . 1 . . . . 31 LEU HD2 . 16889 1 298 . 1 1 31 31 LEU HD22 H 1 0.817 0.02 . 1 . . . . 31 LEU HD2 . 16889 1 299 . 1 1 31 31 LEU HD23 H 1 0.817 0.02 . 1 . . . . 31 LEU HD2 . 16889 1 300 . 1 1 31 31 LEU HG H 1 1.827 0.02 . 1 . . . . 31 LEU HG . 16889 1 301 . 1 1 31 31 LEU CA C 13 55.941 0.05 . 1 . . . . 31 LEU CA . 16889 1 302 . 1 1 31 31 LEU CB C 13 38.228 0.05 . 1 . . . . 31 LEU CB . 16889 1 303 . 1 1 31 31 LEU CD1 C 13 20.787 0.05 . 2 . . . . 31 LEU CD1 . 16889 1 304 . 1 1 31 31 LEU CD2 C 13 22.794 0.05 . 2 . . . . 31 LEU CD2 . 16889 1 305 . 1 1 31 31 LEU CG C 13 24.511 0.05 . 1 . . . . 31 LEU CG . 16889 1 306 . 1 1 31 31 LEU N N 15 121.719 0.05 . 1 . . . . 31 LEU N . 16889 1 307 . 1 1 32 32 LYS H H 1 8.224 0.02 . 1 . . . . 32 LYS H . 16889 1 308 . 1 1 32 32 LYS HA H 1 3.984 0.02 . 1 . . . . 32 LYS HA . 16889 1 309 . 1 1 32 32 LYS HB2 H 1 1.600 0.02 . 2 . . . . 32 LYS HB2 . 16889 1 310 . 1 1 32 32 LYS HB3 H 1 1.750 0.02 . 2 . . . . 32 LYS HB3 . 16889 1 311 . 1 1 32 32 LYS HD2 H 1 1.670 0.02 . 2 . . . . 32 LYS HD2 . 16889 1 312 . 1 1 32 32 LYS HG2 H 1 1.780 0.02 . 2 . . . . 32 LYS HG2 . 16889 1 313 . 1 1 32 32 LYS CA C 13 56.387 0.05 . 1 . . . . 32 LYS CA . 16889 1 314 . 1 1 32 32 LYS CB C 13 28.764 0.05 . 1 . . . . 32 LYS CB . 16889 1 315 . 1 1 32 32 LYS CD C 13 25.020 0.05 . 1 . . . . 32 LYS CD . 16889 1 316 . 1 1 32 32 LYS CG C 13 22.750 0.05 . 1 . . . . 32 LYS CG . 16889 1 317 . 1 1 32 32 LYS N N 15 115.621 0.05 . 1 . . . . 32 LYS N . 16889 1 318 . 1 1 33 33 HIS H H 1 8.032 0.02 . 1 . . . . 33 HIS H . 16889 1 319 . 1 1 33 33 HIS HA H 1 4.347 0.02 . 1 . . . . 33 HIS HA . 16889 1 320 . 1 1 33 33 HIS HB2 H 1 3.603 0.02 . 2 . . . . 33 HIS HB2 . 16889 1 321 . 1 1 33 33 HIS HD2 H 1 7.030 0.02 . 1 . . . . 33 HIS HD2 . 16889 1 322 . 1 1 33 33 HIS HE1 H 1 7.570 0.02 . 1 . . . . 33 HIS HE1 . 16889 1 323 . 1 1 33 33 HIS CA C 13 59.198 0.05 . 1 . . . . 33 HIS CA . 16889 1 324 . 1 1 33 33 HIS CB C 13 28.914 0.05 . 1 . . . . 33 HIS CB . 16889 1 325 . 1 1 33 33 HIS CD2 C 13 114.380 0.05 . 1 . . . . 33 HIS CD2 . 16889 1 326 . 1 1 33 33 HIS CE1 C 13 134.636 0.05 . 1 . . . . 33 HIS CE1 . 16889 1 327 . 1 1 33 33 HIS N N 15 119.265 0.05 . 1 . . . . 33 HIS N . 16889 1 328 . 1 1 34 34 ILE H H 1 7.786 0.02 . 1 . . . . 34 ILE H . 16889 1 329 . 1 1 34 34 ILE HA H 1 3.852 0.02 . 1 . . . . 34 ILE HA . 16889 1 330 . 1 1 34 34 ILE HB H 1 2.400 0.02 . 1 . . . . 34 ILE HB . 16889 1 331 . 1 1 34 34 ILE HD11 H 1 0.700 0.02 . 1 . . . . 34 ILE HD1 . 16889 1 332 . 1 1 34 34 ILE HD12 H 1 0.700 0.02 . 1 . . . . 34 ILE HD1 . 16889 1 333 . 1 1 34 34 ILE HD13 H 1 0.700 0.02 . 1 . . . . 34 ILE HD1 . 16889 1 334 . 1 1 34 34 ILE HG12 H 1 1.435 0.02 . 2 . . . . 34 ILE HG12 . 16889 1 335 . 1 1 34 34 ILE HG13 H 1 1.602 0.02 . 2 . . . . 34 ILE HG13 . 16889 1 336 . 1 1 34 34 ILE HG21 H 1 0.954 0.02 . 1 . . . . 34 ILE HG2 . 16889 1 337 . 1 1 34 34 ILE HG22 H 1 0.954 0.02 . 1 . . . . 34 ILE HG2 . 16889 1 338 . 1 1 34 34 ILE HG23 H 1 0.954 0.02 . 1 . . . . 34 ILE HG2 . 16889 1 339 . 1 1 34 34 ILE CA C 13 60.758 0.05 . 1 . . . . 34 ILE CA . 16889 1 340 . 1 1 34 34 ILE CB C 13 33.280 0.05 . 1 . . . . 34 ILE CB . 16889 1 341 . 1 1 34 34 ILE CD1 C 13 8.840 0.05 . 1 . . . . 34 ILE CD1 . 16889 1 342 . 1 1 34 34 ILE CG1 C 13 25.318 0.05 . 1 . . . . 34 ILE CG1 . 16889 1 343 . 1 1 34 34 ILE CG2 C 13 15.352 0.05 . 1 . . . . 34 ILE CG2 . 16889 1 344 . 1 1 34 34 ILE N N 15 118.760 0.05 . 1 . . . . 34 ILE N . 16889 1 345 . 1 1 35 35 VAL H H 1 7.720 0.02 . 1 . . . . 35 VAL H . 16889 1 346 . 1 1 35 35 VAL HA H 1 3.790 0.02 . 1 . . . . 35 VAL HA . 16889 1 347 . 1 1 35 35 VAL HB H 1 2.075 0.02 . 1 . . . . 35 VAL HB . 16889 1 348 . 1 1 35 35 VAL HG11 H 1 0.989 0.02 . 1 . . . . 35 VAL HG1 . 16889 1 349 . 1 1 35 35 VAL HG12 H 1 0.989 0.02 . 1 . . . . 35 VAL HG1 . 16889 1 350 . 1 1 35 35 VAL HG13 H 1 0.989 0.02 . 1 . . . . 35 VAL HG1 . 16889 1 351 . 1 1 35 35 VAL HG21 H 1 1.002 0.02 . 1 . . . . 35 VAL HG2 . 16889 1 352 . 1 1 35 35 VAL HG22 H 1 1.002 0.02 . 1 . . . . 35 VAL HG2 . 16889 1 353 . 1 1 35 35 VAL HG23 H 1 1.002 0.02 . 1 . . . . 35 VAL HG2 . 16889 1 354 . 1 1 35 35 VAL CA C 13 63.825 0.05 . 1 . . . . 35 VAL CA . 16889 1 355 . 1 1 35 35 VAL CB C 13 29.499 0.05 . 1 . . . . 35 VAL CB . 16889 1 356 . 1 1 35 35 VAL CG1 C 13 19.533 0.05 . 2 . . . . 35 VAL CG1 . 16889 1 357 . 1 1 35 35 VAL CG2 C 13 19.370 0.05 . 2 . . . . 35 VAL CG2 . 16889 1 358 . 1 1 35 35 VAL N N 15 120.390 0.05 . 1 . . . . 35 VAL N . 16889 1 359 . 1 1 36 36 TRP H H 1 8.128 0.02 . 1 . . . . 36 TRP H . 16889 1 360 . 1 1 36 36 TRP HA H 1 4.225 0.02 . 1 . . . . 36 TRP HA . 16889 1 361 . 1 1 36 36 TRP HB2 H 1 3.475 0.02 . 2 . . . . 36 TRP HB2 . 16889 1 362 . 1 1 36 36 TRP HB3 H 1 3.440 0.02 . 2 . . . . 36 TRP HB3 . 16889 1 363 . 1 1 36 36 TRP HD1 H 1 7.311 0.02 . 1 . . . . 36 TRP HD1 . 16889 1 364 . 1 1 36 36 TRP HE1 H 1 10.340 0.02 . 1 . . . . 36 TRP HE1 . 16889 1 365 . 1 1 36 36 TRP HH2 H 1 7.444 0.02 . 1 . . . . 36 TRP HH2 . 16889 1 366 . 1 1 36 36 TRP HZ2 H 1 7.444 0.02 . 1 . . . . 36 TRP HZ2 . 16889 1 367 . 1 1 36 36 TRP HZ3 H 1 6.805 0.02 . 1 . . . . 36 TRP HZ3 . 16889 1 368 . 1 1 36 36 TRP CA C 13 58.844 0.05 . 1 . . . . 36 TRP CA . 16889 1 369 . 1 1 36 36 TRP CB C 13 26.327 0.05 . 1 . . . . 36 TRP CB . 16889 1 370 . 1 1 36 36 TRP CD1 C 13 125.116 0.05 . 1 . . . . 36 TRP CD1 . 16889 1 371 . 1 1 36 36 TRP CH2 C 13 121.672 0.05 . 1 . . . . 36 TRP CH2 . 16889 1 372 . 1 1 36 36 TRP CZ2 C 13 111.555 0.05 . 1 . . . . 36 TRP CZ2 . 16889 1 373 . 1 1 36 36 TRP CZ3 C 13 118.272 0.05 . 1 . . . . 36 TRP CZ3 . 16889 1 374 . 1 1 36 36 TRP N N 15 118.890 0.05 . 1 . . . . 36 TRP N . 16889 1 375 . 1 1 36 36 TRP NE1 N 15 129.904 0.05 . 1 . . . . 36 TRP NE1 . 16889 1 376 . 1 1 37 37 ALA H H 1 7.941 0.02 . 1 . . . . 37 ALA H . 16889 1 377 . 1 1 37 37 ALA HA H 1 3.734 0.02 . 1 . . . . 37 ALA HA . 16889 1 378 . 1 1 37 37 ALA HB1 H 1 1.612 0.02 . 1 . . . . 37 ALA HB1 . 16889 1 379 . 1 1 37 37 ALA HB2 H 1 1.612 0.02 . 1 . . . . 37 ALA HB1 . 16889 1 380 . 1 1 37 37 ALA HB3 H 1 1.612 0.02 . 1 . . . . 37 ALA HB1 . 16889 1 381 . 1 1 37 37 ALA CA C 13 52.564 0.05 . 1 . . . . 37 ALA CA . 16889 1 382 . 1 1 37 37 ALA N N 15 120.061 0.05 . 1 . . . . 37 ALA N . 16889 1 383 . 1 1 38 38 ALA H H 1 8.464 0.02 . 1 . . . . 38 ALA H . 16889 1 384 . 1 1 38 38 ALA HA H 1 3.859 0.02 . 1 . . . . 38 ALA HA . 16889 1 385 . 1 1 38 38 ALA HB1 H 1 1.470 0.02 . 1 . . . . 38 ALA HB1 . 16889 1 386 . 1 1 38 38 ALA HB2 H 1 1.470 0.02 . 1 . . . . 38 ALA HB1 . 16889 1 387 . 1 1 38 38 ALA HB3 H 1 1.470 0.02 . 1 . . . . 38 ALA HB1 . 16889 1 388 . 1 1 38 38 ALA CA C 13 52.653 0.05 . 1 . . . . 38 ALA CA . 16889 1 389 . 1 1 38 38 ALA CB C 13 15.279 0.05 . 1 . . . . 38 ALA CB . 16889 1 390 . 1 1 38 38 ALA N N 15 118.456 0.05 . 1 . . . . 38 ALA N . 16889 1 391 . 1 1 39 39 ASN H H 1 7.756 0.02 . 1 . . . . 39 ASN H . 16889 1 392 . 1 1 39 39 ASN HA H 1 4.482 0.02 . 1 . . . . 39 ASN HA . 16889 1 393 . 1 1 39 39 ASN HB2 H 1 2.901 0.02 . 2 . . . . 39 ASN HB2 . 16889 1 394 . 1 1 39 39 ASN HB3 H 1 2.756 0.02 . 2 . . . . 39 ASN HB3 . 16889 1 395 . 1 1 39 39 ASN HD22 H 1 6.894 0.02 . 2 . . . . 39 ASN HD22 . 16889 1 396 . 1 1 39 39 ASN CA C 13 52.662 0.05 . 1 . . . . 39 ASN CA . 16889 1 397 . 1 1 39 39 ASN CB C 13 36.265 0.05 . 1 . . . . 39 ASN CB . 16889 1 398 . 1 1 39 39 ASN N N 15 114.016 0.05 . 1 . . . . 39 ASN N . 16889 1 399 . 1 1 39 39 ASN ND2 N 15 112.298 0.05 . 1 . . . . 39 ASN ND2 . 16889 1 400 . 1 1 40 40 LYS H H 1 7.614 0.02 . 1 . . . . 40 LYS H . 16889 1 401 . 1 1 40 40 LYS HA H 1 4.115 0.02 . 1 . . . . 40 LYS HA . 16889 1 402 . 1 1 40 40 LYS HB2 H 1 1.654 0.02 . 2 . . . . 40 LYS HB2 . 16889 1 403 . 1 1 40 40 LYS HD2 H 1 1.300 0.02 . 2 . . . . 40 LYS HD2 . 16889 1 404 . 1 1 40 40 LYS HE2 H 1 2.385 0.02 . 2 . . . . 40 LYS HE2 . 16889 1 405 . 1 1 40 40 LYS HG2 H 1 1.276 0.02 . 2 . . . . 40 LYS HG2 . 16889 1 406 . 1 1 40 40 LYS CA C 13 52.217 0.05 . 1 . . . . 40 LYS CA . 16889 1 407 . 1 1 40 40 LYS CB C 13 30.109 0.05 . 1 . . . . 40 LYS CB . 16889 1 408 . 1 1 40 40 LYS CD C 13 24.893 0.05 . 1 . . . . 40 LYS CD . 16889 1 409 . 1 1 40 40 LYS CE C 13 39.498 0.05 . 1 . . . . 40 LYS CE . 16889 1 410 . 1 1 40 40 LYS CG C 13 25.221 0.05 . 1 . . . . 40 LYS CG . 16889 1 411 . 1 1 40 40 LYS N N 15 117.600 0.05 . 1 . . . . 40 LYS N . 16889 1 412 . 1 1 41 41 LEU H H 1 7.540 0.02 . 1 . . . . 41 LEU H . 16889 1 413 . 1 1 41 41 LEU HA H 1 4.046 0.02 . 1 . . . . 41 LEU HA . 16889 1 414 . 1 1 41 41 LEU HB2 H 1 1.807 0.02 . 2 . . . . 41 LEU HB2 . 16889 1 415 . 1 1 41 41 LEU HB3 H 1 1.705 0.02 . 2 . . . . 41 LEU HB3 . 16889 1 416 . 1 1 41 41 LEU HD11 H 1 0.866 0.02 . 1 . . . . 41 LEU HD1 . 16889 1 417 . 1 1 41 41 LEU HD12 H 1 0.866 0.02 . 1 . . . . 41 LEU HD1 . 16889 1 418 . 1 1 41 41 LEU HD13 H 1 0.866 0.02 . 1 . . . . 41 LEU HD1 . 16889 1 419 . 1 1 41 41 LEU HD21 H 1 0.858 0.02 . 1 . . . . 41 LEU HD2 . 16889 1 420 . 1 1 41 41 LEU HD22 H 1 0.858 0.02 . 1 . . . . 41 LEU HD2 . 16889 1 421 . 1 1 41 41 LEU HD23 H 1 0.858 0.02 . 1 . . . . 41 LEU HD2 . 16889 1 422 . 1 1 41 41 LEU HG H 1 2.036 0.02 . 1 . . . . 41 LEU HG . 16889 1 423 . 1 1 41 41 LEU CA C 13 55.692 0.05 . 1 . . . . 41 LEU CA . 16889 1 424 . 1 1 41 41 LEU CB C 13 38.314 0.05 . 1 . . . . 41 LEU CB . 16889 1 425 . 1 1 41 41 LEU CD1 C 13 24.024 0.05 . 1 . . . . 41 LEU CD1 . 16889 1 426 . 1 1 41 41 LEU CD2 C 13 21.133 0.05 . 1 . . . . 41 LEU CD2 . 16889 1 427 . 1 1 41 41 LEU CG C 13 23.594 0.05 . 1 . . . . 41 LEU CG . 16889 1 428 . 1 1 41 41 LEU N N 15 117.725 0.05 . 1 . . . . 41 LEU N . 16889 1 429 . 1 1 42 42 ASP H H 1 7.987 0.02 . 1 . . . . 42 ASP H . 16889 1 430 . 1 1 42 42 ASP HA H 1 4.368 0.02 . 1 . . . . 42 ASP HA . 16889 1 431 . 1 1 42 42 ASP HB2 H 1 2.754 0.02 . 2 . . . . 42 ASP HB2 . 16889 1 432 . 1 1 42 42 ASP HB3 H 1 2.676 0.02 . 2 . . . . 42 ASP HB3 . 16889 1 433 . 1 1 42 42 ASP CA C 13 54.887 0.05 . 1 . . . . 42 ASP CA . 16889 1 434 . 1 1 42 42 ASP CB C 13 38.554 0.05 . 1 . . . . 42 ASP CB . 16889 1 435 . 1 1 42 42 ASP N N 15 118.875 0.05 . 1 . . . . 42 ASP N . 16889 1 436 . 1 1 43 43 ARG H H 1 7.565 0.02 . 1 . . . . 43 ARG H . 16889 1 437 . 1 1 43 43 ARG HA H 1 3.997 0.02 . 1 . . . . 43 ARG HA . 16889 1 438 . 1 1 43 43 ARG HB2 H 1 1.458 0.02 . 2 . . . . 43 ARG HB2 . 16889 1 439 . 1 1 43 43 ARG HB3 H 1 1.587 0.02 . 2 . . . . 43 ARG HB3 . 16889 1 440 . 1 1 43 43 ARG HD2 H 1 2.984 0.02 . 2 . . . . 43 ARG HD2 . 16889 1 441 . 1 1 43 43 ARG HG2 H 1 1.365 0.02 . 2 . . . . 43 ARG HG2 . 16889 1 442 . 1 1 43 43 ARG CA C 13 55.160 0.05 . 1 . . . . 43 ARG CA . 16889 1 443 . 1 1 43 43 ARG CB C 13 26.574 0.05 . 1 . . . . 43 ARG CB . 16889 1 444 . 1 1 43 43 ARG CD C 13 40.200 0.05 . 1 . . . . 43 ARG CD . 16889 1 445 . 1 1 43 43 ARG CG C 13 23.907 0.05 . 1 . . . . 43 ARG CG . 16889 1 446 . 1 1 43 43 ARG N N 15 118.320 0.05 . 1 . . . . 43 ARG N . 16889 1 447 . 1 1 44 44 PHE H H 1 7.545 0.02 . 1 . . . . 44 PHE H . 16889 1 448 . 1 1 44 44 PHE HA H 1 4.453 0.02 . 1 . . . . 44 PHE HA . 16889 1 449 . 1 1 44 44 PHE HB2 H 1 2.701 0.02 . 2 . . . . 44 PHE HB2 . 16889 1 450 . 1 1 44 44 PHE HB3 H 1 3.394 0.02 . 2 . . . . 44 PHE HB3 . 16889 1 451 . 1 1 44 44 PHE HD2 H 1 7.215 0.02 . 3 . . . . 44 PHE HD2 . 16889 1 452 . 1 1 44 44 PHE CA C 13 54.596 0.05 . 1 . . . . 44 PHE CA . 16889 1 453 . 1 1 44 44 PHE CB C 13 37.608 0.05 . 1 . . . . 44 PHE CB . 16889 1 454 . 1 1 44 44 PHE CD2 C 13 129.008 0.05 . 1 . . . . 44 PHE CD2 . 16889 1 455 . 1 1 44 44 PHE N N 15 115.750 0.05 . 1 . . . . 44 PHE N . 16889 1 456 . 1 1 45 45 GLY H H 1 7.884 0.02 . 1 . . . . 45 GLY H . 16889 1 457 . 1 1 45 45 GLY HA2 H 1 3.933 0.02 . 2 . . . . 45 GLY HA2 . 16889 1 458 . 1 1 45 45 GLY HA3 H 1 3.876 0.02 . 2 . . . . 45 GLY HA3 . 16889 1 459 . 1 1 45 45 GLY CA C 13 43.374 0.05 . 1 . . . . 45 GLY CA . 16889 1 460 . 1 1 45 45 GLY N N 15 107.574 0.05 . 1 . . . . 45 GLY N . 16889 1 461 . 1 1 46 46 LEU H H 1 7.1265 0.02 . 1 . . . . 46 LEU H . 16889 1 462 . 1 1 46 46 LEU HA H 1 4.580 0.02 . 1 . . . . 46 LEU HA . 16889 1 463 . 1 1 46 46 LEU HB2 H 1 1.760 0.02 . 2 . . . . 46 LEU HB2 . 16889 1 464 . 1 1 46 46 LEU HB3 H 1 1.243 0.02 . 2 . . . . 46 LEU HB3 . 16889 1 465 . 1 1 46 46 LEU HD11 H 1 0.877 0.02 . 1 . . . . 46 LEU HD1 . 16889 1 466 . 1 1 46 46 LEU HD12 H 1 0.877 0.02 . 1 . . . . 46 LEU HD1 . 16889 1 467 . 1 1 46 46 LEU HD13 H 1 0.877 0.02 . 1 . . . . 46 LEU HD1 . 16889 1 468 . 1 1 46 46 LEU HD21 H 1 0.849 0.02 . 1 . . . . 46 LEU HD2 . 16889 1 469 . 1 1 46 46 LEU HD22 H 1 0.849 0.02 . 1 . . . . 46 LEU HD2 . 16889 1 470 . 1 1 46 46 LEU HD23 H 1 0.849 0.02 . 1 . . . . 46 LEU HD2 . 16889 1 471 . 1 1 46 46 LEU HG H 1 1.618 0.02 . 1 . . . . 46 LEU HG . 16889 1 472 . 1 1 46 46 LEU CA C 13 50.164 0.05 . 1 . . . . 46 LEU CA . 16889 1 473 . 1 1 46 46 LEU CB C 13 41.618 0.05 . 1 . . . . 46 LEU CB . 16889 1 474 . 1 1 46 46 LEU CD1 C 13 24.166 0.05 . 2 . . . . 46 LEU CD1 . 16889 1 475 . 1 1 46 46 LEU CD2 C 13 20.306 0.05 . 2 . . . . 46 LEU CD2 . 16889 1 476 . 1 1 46 46 LEU CG C 13 23.728 0.05 . 1 . . . . 46 LEU CG . 16889 1 477 . 1 1 46 46 LEU N N 15 119.750 0.05 . 1 . . . . 46 LEU N . 16889 1 478 . 1 1 47 47 ALA H H 1 7.781 0.02 . 1 . . . . 47 ALA H . 16889 1 479 . 1 1 47 47 ALA HA H 1 4.324 0.02 . 1 . . . . 47 ALA HA . 16889 1 480 . 1 1 47 47 ALA HB1 H 1 1.412 0.02 . 1 . . . . 47 ALA HB1 . 16889 1 481 . 1 1 47 47 ALA HB2 H 1 1.412 0.02 . 1 . . . . 47 ALA HB1 . 16889 1 482 . 1 1 47 47 ALA HB3 H 1 1.412 0.02 . 1 . . . . 47 ALA HB1 . 16889 1 483 . 1 1 47 47 ALA CA C 13 52.041 0.05 . 1 . . . . 47 ALA CA . 16889 1 484 . 1 1 47 47 ALA CB C 13 17.085 0.05 . 1 . . . . 47 ALA CB . 16889 1 485 . 1 1 47 47 ALA N N 15 124.812 0.05 . 1 . . . . 47 ALA N . 16889 1 486 . 1 1 48 48 GLU H H 1 8.592 0.02 . 1 . . . . 48 GLU H . 16889 1 487 . 1 1 48 48 GLU HA H 1 3.935 0.02 . 1 . . . . 48 GLU HA . 16889 1 488 . 1 1 48 48 GLU HB2 H 1 2.108 0.02 . 2 . . . . 48 GLU HB2 . 16889 1 489 . 1 1 48 48 GLU HB3 H 1 2.004 0.02 . 2 . . . . 48 GLU HB3 . 16889 1 490 . 1 1 48 48 GLU HG2 H 1 2.296 0.02 . 2 . . . . 48 GLU HG2 . 16889 1 491 . 1 1 48 48 GLU HG3 H 1 2.229 0.02 . 2 . . . . 48 GLU HG3 . 16889 1 492 . 1 1 48 48 GLU CA C 13 56.739 0.05 . 1 . . . . 48 GLU CA . 16889 1 493 . 1 1 48 48 GLU CB C 13 26.847 0.05 . 1 . . . . 48 GLU CB . 16889 1 494 . 1 1 48 48 GLU CG C 13 33.473 0.05 . 1 . . . . 48 GLU CG . 16889 1 495 . 1 1 48 48 GLU N N 15 121.062 0.05 . 1 . . . . 48 GLU N . 16889 1 496 . 1 1 49 49 SER H H 1 7.858 0.02 . 1 . . . . 49 SER H . 16889 1 497 . 1 1 49 49 SER HA H 1 4.157 0.02 . 1 . . . . 49 SER HA . 16889 1 498 . 1 1 49 49 SER HB2 H 1 3.895 0.02 . 2 . . . . 49 SER HB2 . 16889 1 499 . 1 1 49 49 SER CA C 13 57.373 0.05 . 1 . . . . 49 SER CA . 16889 1 500 . 1 1 49 49 SER CB C 13 59.587 0.05 . 1 . . . . 49 SER CB . 16889 1 501 . 1 1 49 49 SER N N 15 111.169 0.05 . 1 . . . . 49 SER N . 16889 1 502 . 1 1 50 50 LEU H H 1 7.855 0.02 . 1 . . . . 50 LEU H . 16889 1 503 . 1 1 50 50 LEU HA H 1 4.028 0.02 . 1 . . . . 50 LEU HA . 16889 1 504 . 1 1 50 50 LEU HB2 H 1 1.874 0.02 . 2 . . . . 50 LEU HB2 . 16889 1 505 . 1 1 50 50 LEU HB3 H 1 1.572 0.02 . 2 . . . . 50 LEU HB3 . 16889 1 506 . 1 1 50 50 LEU HD11 H 1 0.951 0.02 . 1 . . . . 50 LEU HD1 . 16889 1 507 . 1 1 50 50 LEU HD12 H 1 0.951 0.02 . 1 . . . . 50 LEU HD1 . 16889 1 508 . 1 1 50 50 LEU HD13 H 1 0.951 0.02 . 1 . . . . 50 LEU HD1 . 16889 1 509 . 1 1 50 50 LEU HD21 H 1 0.951 0.02 . 1 . . . . 50 LEU HD2 . 16889 1 510 . 1 1 50 50 LEU HD22 H 1 0.951 0.02 . 1 . . . . 50 LEU HD2 . 16889 1 511 . 1 1 50 50 LEU HD23 H 1 0.951 0.02 . 1 . . . . 50 LEU HD2 . 16889 1 512 . 1 1 50 50 LEU HG H 1 1.826 0.02 . 1 . . . . 50 LEU HG . 16889 1 513 . 1 1 50 50 LEU CA C 13 54.929 0.05 . 1 . . . . 50 LEU CA . 16889 1 514 . 1 1 50 50 LEU CB C 13 38.904 0.05 . 1 . . . . 50 LEU CB . 16889 1 515 . 1 1 50 50 LEU CD1 C 13 23.590 0.05 . 1 . . . . 50 LEU CD1 . 16889 1 516 . 1 1 50 50 LEU CD2 C 13 20.077 0.05 . 1 . . . . 50 LEU CD2 . 16889 1 517 . 1 1 50 50 LEU CG C 13 25.095 0.05 . 1 . . . . 50 LEU CG . 16889 1 518 . 1 1 50 50 LEU N N 15 124.500 0.05 . 1 . . . . 50 LEU N . 16889 1 519 . 1 1 51 51 LEU H H 1 7.512 0.02 . 1 . . . . 51 LEU H . 16889 1 520 . 1 1 51 51 LEU HA H 1 4.122 0.02 . 1 . . . . 51 LEU HA . 16889 1 521 . 1 1 51 51 LEU HB2 H 1 1.506 0.02 . 2 . . . . 51 LEU HB2 . 16889 1 522 . 1 1 51 51 LEU HB3 H 1 1.923 0.02 . 2 . . . . 51 LEU HB3 . 16889 1 523 . 1 1 51 51 LEU HD11 H 1 0.882 0.02 . 1 . . . . 51 LEU HD1 . 16889 1 524 . 1 1 51 51 LEU HD12 H 1 0.882 0.02 . 1 . . . . 51 LEU HD1 . 16889 1 525 . 1 1 51 51 LEU HD13 H 1 0.882 0.02 . 1 . . . . 51 LEU HD1 . 16889 1 526 . 1 1 51 51 LEU HD21 H 1 0.903 0.02 . 1 . . . . 51 LEU HD2 . 16889 1 527 . 1 1 51 51 LEU HD22 H 1 0.903 0.02 . 1 . . . . 51 LEU HD2 . 16889 1 528 . 1 1 51 51 LEU HD23 H 1 0.903 0.02 . 1 . . . . 51 LEU HD2 . 16889 1 529 . 1 1 51 51 LEU HG H 1 1.690 0.02 . 1 . . . . 51 LEU HG . 16889 1 530 . 1 1 51 51 LEU CA C 13 53.190 0.05 . 1 . . . . 51 LEU CA . 16889 1 531 . 1 1 51 51 LEU CB C 13 40.226 0.05 . 1 . . . . 51 LEU CB . 16889 1 532 . 1 1 51 51 LEU CD1 C 13 21.326 0.05 . 1 . . . . 51 LEU CD1 . 16889 1 533 . 1 1 51 51 LEU CD2 C 13 23.239 0.05 . 1 . . . . 51 LEU CD2 . 16889 1 534 . 1 1 51 51 LEU CG C 13 24.042 0.05 . 1 . . . . 51 LEU CG . 16889 1 535 . 1 1 51 51 LEU N N 15 111.612 0.05 . 1 . . . . 51 LEU N . 16889 1 536 . 1 1 52 52 GLU H H 1 7.418 0.02 . 1 . . . . 52 GLU H . 16889 1 537 . 1 1 52 52 GLU HA H 1 3.899 0.02 . 1 . . . . 52 GLU HA . 16889 1 538 . 1 1 52 52 GLU HB2 H 1 2.116 0.02 . 2 . . . . 52 GLU HB2 . 16889 1 539 . 1 1 52 52 GLU HG2 H 1 2.291 0.02 . 2 . . . . 52 GLU HG2 . 16889 1 540 . 1 1 52 52 GLU HG3 H 1 2.275 0.02 . 2 . . . . 52 GLU HG3 . 16889 1 541 . 1 1 52 52 GLU CA C 13 54.757 0.05 . 1 . . . . 52 GLU CA . 16889 1 542 . 1 1 52 52 GLU CB C 13 27.642 0.05 . 1 . . . . 52 GLU CB . 16889 1 543 . 1 1 52 52 GLU CG C 13 34.538 0.05 . 1 . . . . 52 GLU CG . 16889 1 544 . 1 1 52 52 GLU N N 15 112.631 0.05 . 1 . . . . 52 GLU N . 16889 1 545 . 1 1 53 53 SER H H 1 7.423 0.02 . 1 . . . . 53 SER H . 16889 1 546 . 1 1 53 53 SER HA H 1 3.955 0.02 . 1 . . . . 53 SER HA . 16889 1 547 . 1 1 53 53 SER HB2 H 1 4.060 0.02 . 2 . . . . 53 SER HB2 . 16889 1 548 . 1 1 53 53 SER HB3 H 1 3.658 0.02 . 2 . . . . 53 SER HB3 . 16889 1 549 . 1 1 53 53 SER CA C 13 53.305 0.05 . 1 . . . . 53 SER CA . 16889 1 550 . 1 1 53 53 SER CB C 13 65.162 0.05 . 1 . . . . 53 SER CB . 16889 1 551 . 1 1 53 53 SER N N 15 110.220 0.05 . 1 . . . . 53 SER N . 16889 1 552 . 1 1 54 54 LYS H H 1 9.017 0.02 . 1 . . . . 54 LYS H . 16889 1 553 . 1 1 54 54 LYS HA H 1 3.668 0.02 . 1 . . . . 54 LYS HA . 16889 1 554 . 1 1 54 54 LYS HB2 H 1 1.526 0.02 . 2 . . . . 54 LYS HB2 . 16889 1 555 . 1 1 54 54 LYS HB3 H 1 1.366 0.02 . 2 . . . . 54 LYS HB3 . 16889 1 556 . 1 1 54 54 LYS HD2 H 1 1.193 0.02 . 2 . . . . 54 LYS HD2 . 16889 1 557 . 1 1 54 54 LYS HE2 H 1 2.715 0.02 . 2 . . . . 54 LYS HE2 . 16889 1 558 . 1 1 54 54 LYS HG2 H 1 1.116 0.02 . 2 . . . . 54 LYS HG2 . 16889 1 559 . 1 1 54 54 LYS CA C 13 57.687 0.05 . 1 . . . . 54 LYS CA . 16889 1 560 . 1 1 54 54 LYS CB C 13 30.076 0.05 . 1 . . . . 54 LYS CB . 16889 1 561 . 1 1 54 54 LYS CD C 13 27.170 0.05 . 1 . . . . 54 LYS CD . 16889 1 562 . 1 1 54 54 LYS CE C 13 38.849 0.05 . 1 . . . . 54 LYS CE . 16889 1 563 . 1 1 54 54 LYS CG C 13 21.291 0.05 . 1 . . . . 54 LYS CG . 16889 1 564 . 1 1 54 54 LYS N N 15 123.278 0.05 . 1 . . . . 54 LYS N . 16889 1 565 . 1 1 55 55 GLU H H 1 9.140 0.02 . 1 . . . . 55 GLU H . 16889 1 566 . 1 1 55 55 GLU HA H 1 4.034 0.02 . 1 . . . . 55 GLU HA . 16889 1 567 . 1 1 55 55 GLU HB2 H 1 2.013 0.02 . 2 . . . . 55 GLU HB2 . 16889 1 568 . 1 1 55 55 GLU HB3 H 1 1.918 0.02 . 2 . . . . 55 GLU HB3 . 16889 1 569 . 1 1 55 55 GLU HG2 H 1 2.452 0.02 . 2 . . . . 55 GLU HG2 . 16889 1 570 . 1 1 55 55 GLU CA C 13 57.617 0.05 . 1 . . . . 55 GLU CA . 16889 1 571 . 1 1 55 55 GLU CB C 13 25.878 0.05 . 1 . . . . 55 GLU CB . 16889 1 572 . 1 1 55 55 GLU CG C 13 34.403 0.05 . 1 . . . . 55 GLU CG . 16889 1 573 . 1 1 55 55 GLU N N 15 118.452 0.05 . 1 . . . . 55 GLU N . 16889 1 574 . 1 1 56 56 GLY H H 1 8.460 0.02 . 1 . . . . 56 GLY H . 16889 1 575 . 1 1 56 56 GLY HA2 H 1 4.622 0.02 . 2 . . . . 56 GLY HA2 . 16889 1 576 . 1 1 56 56 GLY HA3 H 1 3.854 0.02 . 2 . . . . 56 GLY HA3 . 16889 1 577 . 1 1 56 56 GLY CA C 13 45.547 0.05 . 1 . . . . 56 GLY CA . 16889 1 578 . 1 1 56 56 GLY N N 15 111.298 0.05 . 1 . . . . 56 GLY N . 16889 1 579 . 1 1 57 57 CYS H H 1 8.282 0.02 . 1 . . . . 57 CYS H . 16889 1 580 . 1 1 57 57 CYS HA H 1 4.109 0.02 . 1 . . . . 57 CYS HA . 16889 1 581 . 1 1 57 57 CYS HB2 H 1 2.578 0.02 . 2 . . . . 57 CYS HB2 . 16889 1 582 . 1 1 57 57 CYS HB3 H 1 3.591 0.02 . 2 . . . . 57 CYS HB3 . 16889 1 583 . 1 1 57 57 CYS CA C 13 61.904 0.05 . 1 . . . . 57 CYS CA . 16889 1 584 . 1 1 57 57 CYS CB C 13 45.098 0.05 . 1 . . . . 57 CYS CB . 16889 1 585 . 1 1 57 57 CYS N N 15 119.187 0.05 . 1 . . . . 57 CYS N . 16889 1 586 . 1 1 58 58 GLN H H 1 8.680 0.02 . 1 . . . . 58 GLN H . 16889 1 587 . 1 1 58 58 GLN HA H 1 3.777 0.02 . 1 . . . . 58 GLN HA . 16889 1 588 . 1 1 58 58 GLN HB2 H 1 2.398 0.02 . 2 . . . . 58 GLN HB2 . 16889 1 589 . 1 1 58 58 GLN HE21 H 1 7.592 0.02 . 2 . . . . 58 GLN HE21 . 16889 1 590 . 1 1 58 58 GLN HE22 H 1 6.967 0.02 . 2 . . . . 58 GLN HE22 . 16889 1 591 . 1 1 58 58 GLN HG2 H 1 2.408 0.02 . 2 . . . . 58 GLN HG2 . 16889 1 592 . 1 1 58 58 GLN HG3 H 1 2.348 0.02 . 2 . . . . 58 GLN HG3 . 16889 1 593 . 1 1 58 58 GLN CA C 13 57.611 0.05 . 1 . . . . 58 GLN CA . 16889 1 594 . 1 1 58 58 GLN CB C 13 25.094 0.05 . 1 . . . . 58 GLN CB . 16889 1 595 . 1 1 58 58 GLN CG C 13 31.456 0.05 . 1 . . . . 58 GLN CG . 16889 1 596 . 1 1 58 58 GLN N N 15 120.125 0.05 . 1 . . . . 58 GLN N . 16889 1 597 . 1 1 58 58 GLN NE2 N 15 111.182 0.05 . 1 . . . . 58 GLN NE2 . 16889 1 598 . 1 1 59 59 LYS H H 1 7.766 0.02 . 1 . . . . 59 LYS H . 16889 1 599 . 1 1 59 59 LYS HA H 1 4.101 0.02 . 1 . . . . 59 LYS HA . 16889 1 600 . 1 1 59 59 LYS HB2 H 1 2.224 0.02 . 2 . . . . 59 LYS HB2 . 16889 1 601 . 1 1 59 59 LYS HB3 H 1 2.101 0.02 . 2 . . . . 59 LYS HB3 . 16889 1 602 . 1 1 59 59 LYS HD2 H 1 1.695 0.02 . 2 . . . . 59 LYS HD2 . 16889 1 603 . 1 1 59 59 LYS HE2 H 1 2.935 0.02 . 2 . . . . 59 LYS HE2 . 16889 1 604 . 1 1 59 59 LYS HG2 H 1 1.420 0.02 . 2 . . . . 59 LYS HG2 . 16889 1 605 . 1 1 59 59 LYS CA C 13 57.495 0.05 . 1 . . . . 59 LYS CA . 16889 1 606 . 1 1 59 59 LYS CB C 13 28.840 0.05 . 1 . . . . 59 LYS CB . 16889 1 607 . 1 1 59 59 LYS CD C 13 24.507 0.05 . 1 . . . . 59 LYS CD . 16889 1 608 . 1 1 59 59 LYS CE C 13 39.247 0.05 . 1 . . . . 59 LYS CE . 16889 1 609 . 1 1 59 59 LYS CG C 13 22.706 0.05 . 1 . . . . 59 LYS CG . 16889 1 610 . 1 1 59 59 LYS N N 15 121.375 0.05 . 1 . . . . 59 LYS N . 16889 1 611 . 1 1 60 60 ILE H H 1 7.796 0.02 . 1 . . . . 60 ILE H . 16889 1 612 . 1 1 60 60 ILE HA H 1 3.732 0.02 . 1 . . . . 60 ILE HA . 16889 1 613 . 1 1 60 60 ILE HB H 1 2.081 0.02 . 1 . . . . 60 ILE HB . 16889 1 614 . 1 1 60 60 ILE HD11 H 1 0.855 0.02 . 1 . . . . 60 ILE HD1 . 16889 1 615 . 1 1 60 60 ILE HD12 H 1 0.855 0.02 . 1 . . . . 60 ILE HD1 . 16889 1 616 . 1 1 60 60 ILE HD13 H 1 0.855 0.02 . 1 . . . . 60 ILE HD1 . 16889 1 617 . 1 1 60 60 ILE HG12 H 1 0.919 0.02 . 2 . . . . 60 ILE HG12 . 16889 1 618 . 1 1 60 60 ILE HG13 H 1 2.101 0.02 . 2 . . . . 60 ILE HG13 . 16889 1 619 . 1 1 60 60 ILE HG21 H 1 0.819 0.02 . 1 . . . . 60 ILE HG2 . 16889 1 620 . 1 1 60 60 ILE HG22 H 1 0.819 0.02 . 1 . . . . 60 ILE HG2 . 16889 1 621 . 1 1 60 60 ILE HG23 H 1 0.819 0.02 . 1 . . . . 60 ILE HG2 . 16889 1 622 . 1 1 60 60 ILE CA C 13 62.795 0.05 . 1 . . . . 60 ILE CA . 16889 1 623 . 1 1 60 60 ILE CB C 13 35.437 0.05 . 1 . . . . 60 ILE CB . 16889 1 624 . 1 1 60 60 ILE CD1 C 13 12.734 0.05 . 1 . . . . 60 ILE CD1 . 16889 1 625 . 1 1 60 60 ILE CG1 C 13 25.745 0.05 . 1 . . . . 60 ILE CG1 . 16889 1 626 . 1 1 60 60 ILE CG2 C 13 15.755 0.05 . 1 . . . . 60 ILE CG2 . 16889 1 627 . 1 1 60 60 ILE N N 15 117.312 0.05 . 1 . . . . 60 ILE N . 16889 1 628 . 1 1 61 61 LEU H H 1 8.430 0.02 . 1 . . . . 61 LEU H . 16889 1 629 . 1 1 61 61 LEU HA H 1 3.844 0.02 . 1 . . . . 61 LEU HA . 16889 1 630 . 1 1 61 61 LEU HB2 H 1 1.763 0.02 . 2 . . . . 61 LEU HB2 . 16889 1 631 . 1 1 61 61 LEU HB3 H 1 1.180 0.02 . 2 . . . . 61 LEU HB3 . 16889 1 632 . 1 1 61 61 LEU HD11 H 1 0.431 0.02 . 1 . . . . 61 LEU HD1 . 16889 1 633 . 1 1 61 61 LEU HD12 H 1 0.431 0.02 . 1 . . . . 61 LEU HD1 . 16889 1 634 . 1 1 61 61 LEU HD13 H 1 0.431 0.02 . 1 . . . . 61 LEU HD1 . 16889 1 635 . 1 1 61 61 LEU HD21 H 1 0.265 0.02 . 1 . . . . 61 LEU HD2 . 16889 1 636 . 1 1 61 61 LEU HD22 H 1 0.265 0.02 . 1 . . . . 61 LEU HD2 . 16889 1 637 . 1 1 61 61 LEU HD23 H 1 0.265 0.02 . 1 . . . . 61 LEU HD2 . 16889 1 638 . 1 1 61 61 LEU HG H 1 1.750 0.02 . 1 . . . . 61 LEU HG . 16889 1 639 . 1 1 61 61 LEU CA C 13 55.854 0.05 . 1 . . . . 61 LEU CA . 16889 1 640 . 1 1 61 61 LEU CB C 13 39.354 0.05 . 1 . . . . 61 LEU CB . 16889 1 641 . 1 1 61 61 LEU CD1 C 13 23.463 0.05 . 2 . . . . 61 LEU CD1 . 16889 1 642 . 1 1 61 61 LEU CD2 C 13 21.791 0.05 . 2 . . . . 61 LEU CD2 . 16889 1 643 . 1 1 61 61 LEU CG C 13 23.924 0.05 . 1 . . . . 61 LEU CG . 16889 1 644 . 1 1 61 61 LEU N N 15 117.625 0.05 . 1 . . . . 61 LEU N . 16889 1 645 . 1 1 62 62 THR H H 1 8.135 0.02 . 1 . . . . 62 THR H . 16889 1 646 . 1 1 62 62 THR HA H 1 3.991 0.02 . 1 . . . . 62 THR HA . 16889 1 647 . 1 1 62 62 THR HB H 1 4.350 0.02 . 1 . . . . 62 THR HB . 16889 1 648 . 1 1 62 62 THR HG21 H 1 1.315 0.02 . 1 . . . . 62 THR HG2 . 16889 1 649 . 1 1 62 62 THR HG22 H 1 1.315 0.02 . 1 . . . . 62 THR HG2 . 16889 1 650 . 1 1 62 62 THR HG23 H 1 1.315 0.02 . 1 . . . . 62 THR HG2 . 16889 1 651 . 1 1 62 62 THR CA C 13 63.844 0.05 . 1 . . . . 62 THR CA . 16889 1 652 . 1 1 62 62 THR CB C 13 66.657 0.05 . 1 . . . . 62 THR CB . 16889 1 653 . 1 1 62 62 THR CG2 C 13 18.851 0.05 . 1 . . . . 62 THR CG2 . 16889 1 654 . 1 1 62 62 THR N N 15 112.937 0.05 . 1 . . . . 62 THR N . 16889 1 655 . 1 1 63 63 VAL H H 1 7.516 0.02 . 1 . . . . 63 VAL H . 16889 1 656 . 1 1 63 63 VAL HA H 1 3.716 0.02 . 1 . . . . 63 VAL HA . 16889 1 657 . 1 1 63 63 VAL HB H 1 2.213 0.02 . 1 . . . . 63 VAL HB . 16889 1 658 . 1 1 63 63 VAL HG11 H 1 1.087 0.02 . 1 . . . . 63 VAL HG1 . 16889 1 659 . 1 1 63 63 VAL HG12 H 1 1.087 0.02 . 1 . . . . 63 VAL HG1 . 16889 1 660 . 1 1 63 63 VAL HG13 H 1 1.087 0.02 . 1 . . . . 63 VAL HG1 . 16889 1 661 . 1 1 63 63 VAL HG21 H 1 0.904 0.02 . 1 . . . . 63 VAL HG2 . 16889 1 662 . 1 1 63 63 VAL HG22 H 1 0.904 0.02 . 1 . . . . 63 VAL HG2 . 16889 1 663 . 1 1 63 63 VAL HG23 H 1 0.904 0.02 . 1 . . . . 63 VAL HG2 . 16889 1 664 . 1 1 63 63 VAL CA C 13 63.263 0.05 . 1 . . . . 63 VAL CA . 16889 1 665 . 1 1 63 63 VAL CB C 13 29.353 0.05 . 1 . . . . 63 VAL CB . 16889 1 666 . 1 1 63 63 VAL CG1 C 13 20.174 0.05 . 2 . . . . 63 VAL CG1 . 16889 1 667 . 1 1 63 63 VAL CG2 C 13 18.616 0.05 . 2 . . . . 63 VAL CG2 . 16889 1 668 . 1 1 63 63 VAL N N 15 121.375 0.05 . 1 . . . . 63 VAL N . 16889 1 669 . 1 1 64 64 LEU H H 1 8.120 0.02 . 1 . . . . 64 LEU H . 16889 1 670 . 1 1 64 64 LEU HA H 1 4.130 0.02 . 1 . . . . 64 LEU HA . 16889 1 671 . 1 1 64 64 LEU HB2 H 1 1.943 0.02 . 2 . . . . 64 LEU HB2 . 16889 1 672 . 1 1 64 64 LEU HB3 H 1 1.305 0.02 . 2 . . . . 64 LEU HB3 . 16889 1 673 . 1 1 64 64 LEU HD11 H 1 0.564 0.02 . 1 . . . . 64 LEU HD1 . 16889 1 674 . 1 1 64 64 LEU HD12 H 1 0.564 0.02 . 1 . . . . 64 LEU HD1 . 16889 1 675 . 1 1 64 64 LEU HD13 H 1 0.564 0.02 . 1 . . . . 64 LEU HD1 . 16889 1 676 . 1 1 64 64 LEU HD21 H 1 0.274 0.02 . 1 . . . . 64 LEU HD2 . 16889 1 677 . 1 1 64 64 LEU HD22 H 1 0.274 0.02 . 1 . . . . 64 LEU HD2 . 16889 1 678 . 1 1 64 64 LEU HD23 H 1 0.274 0.02 . 1 . . . . 64 LEU HD2 . 16889 1 679 . 1 1 64 64 LEU HG H 1 1.886 0.02 . 1 . . . . 64 LEU HG . 16889 1 680 . 1 1 64 64 LEU CA C 13 54.181 0.05 . 1 . . . . 64 LEU CA . 16889 1 681 . 1 1 64 64 LEU CB C 13 41.152 0.05 . 1 . . . . 64 LEU CB . 16889 1 682 . 1 1 64 64 LEU CD1 C 13 23.772 0.05 . 2 . . . . 64 LEU CD1 . 16889 1 683 . 1 1 64 64 LEU CD2 C 13 18.585 0.05 . 2 . . . . 64 LEU CD2 . 16889 1 684 . 1 1 64 64 LEU CG C 13 23.369 0.05 . 1 . . . . 64 LEU CG . 16889 1 685 . 1 1 64 64 LEU N N 15 114.500 0.05 . 1 . . . . 64 LEU N . 16889 1 686 . 1 1 65 65 ASP H H 1 8.223 0.02 . 1 . . . . 65 ASP H . 16889 1 687 . 1 1 65 65 ASP HA H 1 4.233 0.02 . 1 . . . . 65 ASP HA . 16889 1 688 . 1 1 65 65 ASP HB2 H 1 3.080 0.02 . 2 . . . . 65 ASP HB2 . 16889 1 689 . 1 1 65 65 ASP HB3 H 1 2.665 0.02 . 2 . . . . 65 ASP HB3 . 16889 1 690 . 1 1 65 65 ASP CA C 13 57.009 0.05 . 1 . . . . 65 ASP CA . 16889 1 691 . 1 1 65 65 ASP CB C 13 36.997 0.05 . 1 . . . . 65 ASP CB . 16889 1 692 . 1 1 65 65 ASP N N 15 117.729 0.05 . 1 . . . . 65 ASP N . 16889 1 693 . 1 1 66 66 PRO HA H 1 4.391 0.02 . 1 . . . . 66 PRO HA . 16889 1 694 . 1 1 66 66 PRO HB2 H 1 2.306 0.02 . 2 . . . . 66 PRO HB2 . 16889 1 695 . 1 1 66 66 PRO HD2 H 1 3.630 0.02 . 2 . . . . 66 PRO HD2 . 16889 1 696 . 1 1 66 66 PRO HD3 H 1 3.599 0.02 . 2 . . . . 66 PRO HD3 . 16889 1 697 . 1 1 66 66 PRO HG2 H 1 1.995 0.02 . 2 . . . . 66 PRO HG2 . 16889 1 698 . 1 1 66 66 PRO CA C 13 62.717 0.05 . 1 . . . . 66 PRO CA . 16889 1 699 . 1 1 66 66 PRO CB C 13 28.762 0.05 . 1 . . . . 66 PRO CB . 16889 1 700 . 1 1 66 66 PRO CD C 13 47.615 0.05 . 1 . . . . 66 PRO CD . 16889 1 701 . 1 1 66 66 PRO CG C 13 25.673 0.05 . 1 . . . . 66 PRO CG . 16889 1 702 . 1 1 67 67 MET H H 1 7.899 0.02 . 1 . . . . 67 MET H . 16889 1 703 . 1 1 67 67 MET HA H 1 4.228 0.02 . 1 . . . . 67 MET HA . 16889 1 704 . 1 1 67 67 MET HB2 H 1 2.133 0.02 . 2 . . . . 67 MET HB2 . 16889 1 705 . 1 1 67 67 MET HE1 H 1 2.153 0.02 . 1 . . . . 67 MET HE . 16889 1 706 . 1 1 67 67 MET HE2 H 1 2.153 0.02 . 1 . . . . 67 MET HE . 16889 1 707 . 1 1 67 67 MET HE3 H 1 2.153 0.02 . 1 . . . . 67 MET HE . 16889 1 708 . 1 1 67 67 MET HG2 H 1 2.562 0.02 . 2 . . . . 67 MET HG2 . 16889 1 709 . 1 1 67 67 MET CA C 13 53.472 0.05 . 1 . . . . 67 MET CA . 16889 1 710 . 1 1 67 67 MET CB C 13 31.993 0.05 . 1 . . . . 67 MET CB . 16889 1 711 . 1 1 67 67 MET CE C 13 15.089 0.05 . 1 . . . . 67 MET CE . 16889 1 712 . 1 1 67 67 MET CG C 13 30.132 0.05 . 1 . . . . 67 MET CG . 16889 1 713 . 1 1 67 67 MET N N 15 114.187 0.05 . 1 . . . . 67 MET N . 16889 1 714 . 1 1 68 68 VAL H H 1 7.265 0.02 . 1 . . . . 68 VAL H . 16889 1 715 . 1 1 68 68 VAL HA H 1 3.387 0.02 . 1 . . . . 68 VAL HA . 16889 1 716 . 1 1 68 68 VAL HB H 1 1.969 0.02 . 1 . . . . 68 VAL HB . 16889 1 717 . 1 1 68 68 VAL HG11 H 1 0.562 0.02 . 1 . . . . 68 VAL HG1 . 16889 1 718 . 1 1 68 68 VAL HG12 H 1 0.562 0.02 . 1 . . . . 68 VAL HG1 . 16889 1 719 . 1 1 68 68 VAL HG13 H 1 0.562 0.02 . 1 . . . . 68 VAL HG1 . 16889 1 720 . 1 1 68 68 VAL HG21 H 1 0.324 0.02 . 1 . . . . 68 VAL HG2 . 16889 1 721 . 1 1 68 68 VAL HG22 H 1 0.324 0.02 . 1 . . . . 68 VAL HG2 . 16889 1 722 . 1 1 68 68 VAL HG23 H 1 0.324 0.02 . 1 . . . . 68 VAL HG2 . 16889 1 723 . 1 1 68 68 VAL CA C 13 65.254 0.05 . 1 . . . . 68 VAL CA . 16889 1 724 . 1 1 68 68 VAL CB C 13 27.002 0.05 . 1 . . . . 68 VAL CB . 16889 1 725 . 1 1 68 68 VAL CG1 C 13 18.908 0.05 . 2 . . . . 68 VAL CG1 . 16889 1 726 . 1 1 68 68 VAL CG2 C 13 20.455 0.05 . 2 . . . . 68 VAL CG2 . 16889 1 727 . 1 1 68 68 VAL N N 15 119.500 0.05 . 1 . . . . 68 VAL N . 16889 1 728 . 1 1 69 69 PRO HA H 1 4.249 0.02 . 1 . . . . 69 PRO HA . 16889 1 729 . 1 1 69 69 PRO HB2 H 1 1.813 0.02 . 2 . . . . 69 PRO HB2 . 16889 1 730 . 1 1 69 69 PRO HB3 H 1 2.352 0.02 . 2 . . . . 69 PRO HB3 . 16889 1 731 . 1 1 69 69 PRO HD2 H 1 3.431 0.02 . 2 . . . . 69 PRO HD2 . 16889 1 732 . 1 1 69 69 PRO HG2 H 1 1.855 0.02 . 2 . . . . 69 PRO HG2 . 16889 1 733 . 1 1 69 69 PRO CA C 13 63.917 0.05 . 1 . . . . 69 PRO CA . 16889 1 734 . 1 1 69 69 PRO CB C 13 28.903 0.05 . 1 . . . . 69 PRO CB . 16889 1 735 . 1 1 69 69 PRO CD C 13 47.097 0.05 . 1 . . . . 69 PRO CD . 16889 1 736 . 1 1 69 69 PRO CG C 13 25.768 0.05 . 1 . . . . 69 PRO CG . 16889 1 737 . 1 1 70 70 THR H H 1 7.103 0.02 . 1 . . . . 70 THR H . 16889 1 738 . 1 1 70 70 THR HA H 1 4.584 0.02 . 1 . . . . 70 THR HA . 16889 1 739 . 1 1 70 70 THR HB H 1 4.573 0.02 . 1 . . . . 70 THR HB . 16889 1 740 . 1 1 70 70 THR HG21 H 1 1.119 0.02 . 1 . . . . 70 THR HG2 . 16889 1 741 . 1 1 70 70 THR HG22 H 1 1.119 0.02 . 1 . . . . 70 THR HG2 . 16889 1 742 . 1 1 70 70 THR HG23 H 1 1.119 0.02 . 1 . . . . 70 THR HG2 . 16889 1 743 . 1 1 70 70 THR CA C 13 57.376 0.05 . 1 . . . . 70 THR CA . 16889 1 744 . 1 1 70 70 THR CB C 13 66.379 0.05 . 1 . . . . 70 THR CB . 16889 1 745 . 1 1 70 70 THR CG2 C 13 18.879 0.05 . 1 . . . . 70 THR CG2 . 16889 1 746 . 1 1 70 70 THR N N 15 122.937 0.05 . 1 . . . . 70 THR N . 16889 1 747 . 1 1 71 71 GLY H H 1 7.825 0.02 . 1 . . . . 71 GLY H . 16889 1 748 . 1 1 71 71 GLY HA2 H 1 4.365 0.02 . 2 . . . . 71 GLY HA2 . 16889 1 749 . 1 1 71 71 GLY HA3 H 1 3.626 0.02 . 2 . . . . 71 GLY HA3 . 16889 1 750 . 1 1 71 71 GLY CA C 13 42.707 0.05 . 1 . . . . 71 GLY CA . 16889 1 751 . 1 1 71 71 GLY N N 15 111.062 0.05 . 1 . . . . 71 GLY N . 16889 1 752 . 1 1 72 72 SER H H 1 8.282 0.02 . 1 . . . . 72 SER H . 16889 1 753 . 1 1 72 72 SER HA H 1 4.591 0.02 . 1 . . . . 72 SER HA . 16889 1 754 . 1 1 72 72 SER HB2 H 1 4.232 0.02 . 2 . . . . 72 SER HB2 . 16889 1 755 . 1 1 72 72 SER CA C 13 54.790 0.05 . 1 . . . . 72 SER CA . 16889 1 756 . 1 1 72 72 SER CB C 13 59.700 0.05 . 1 . . . . 72 SER CB . 16889 1 757 . 1 1 72 72 SER N N 15 115.125 0.05 . 1 . . . . 72 SER N . 16889 1 758 . 1 1 73 73 GLU H H 1 8.975 0.02 . 1 . . . . 73 GLU H . 16889 1 759 . 1 1 73 73 GLU HA H 1 4.556 0.02 . 1 . . . . 73 GLU HA . 16889 1 760 . 1 1 73 73 GLU HB2 H 1 2.112 0.02 . 2 . . . . 73 GLU HB2 . 16889 1 761 . 1 1 73 73 GLU HB3 H 1 2.112 0.02 . 2 . . . . 73 GLU HB3 . 16889 1 762 . 1 1 73 73 GLU HG2 H 1 2.390 0.02 . 2 . . . . 73 GLU HG2 . 16889 1 763 . 1 1 73 73 GLU CA C 13 55.077 0.05 . 1 . . . . 73 GLU CA . 16889 1 764 . 1 1 73 73 GLU CB C 13 26.392 0.05 . 1 . . . . 73 GLU CB . 16889 1 765 . 1 1 73 73 GLU CG C 13 33.052 0.05 . 1 . . . . 73 GLU CG . 16889 1 766 . 1 1 73 73 GLU N N 15 120.437 0.05 . 1 . . . . 73 GLU N . 16889 1 767 . 1 1 74 74 ASN HA H 1 4.736 0.02 . 1 . . . . 74 ASN HA . 16889 1 768 . 1 1 74 74 ASN HB2 H 1 2.961 0.02 . 2 . . . . 74 ASN HB2 . 16889 1 769 . 1 1 74 74 ASN HB3 H 1 2.845 0.02 . 2 . . . . 74 ASN HB3 . 16889 1 770 . 1 1 74 74 ASN CA C 13 53.286 0.05 . 1 . . . . 74 ASN CA . 16889 1 771 . 1 1 74 74 ASN CB C 13 35.922 0.05 . 1 . . . . 74 ASN CB . 16889 1 772 . 1 1 75 75 LEU H H 1 7.860 0.02 . 1 . . . . 75 LEU H . 16889 1 773 . 1 1 75 75 LEU HA H 1 4.113 0.02 . 1 . . . . 75 LEU HA . 16889 1 774 . 1 1 75 75 LEU HB2 H 1 1.926 0.02 . 2 . . . . 75 LEU HB2 . 16889 1 775 . 1 1 75 75 LEU HB3 H 1 1.828 0.02 . 2 . . . . 75 LEU HB3 . 16889 1 776 . 1 1 75 75 LEU HD11 H 1 0.889 0.02 . 1 . . . . 75 LEU HD1 . 16889 1 777 . 1 1 75 75 LEU HD12 H 1 0.889 0.02 . 1 . . . . 75 LEU HD1 . 16889 1 778 . 1 1 75 75 LEU HD13 H 1 0.889 0.02 . 1 . . . . 75 LEU HD1 . 16889 1 779 . 1 1 75 75 LEU HD21 H 1 0.894 0.02 . 1 . . . . 75 LEU HD2 . 16889 1 780 . 1 1 75 75 LEU HD22 H 1 0.894 0.02 . 1 . . . . 75 LEU HD2 . 16889 1 781 . 1 1 75 75 LEU HD23 H 1 0.894 0.02 . 1 . . . . 75 LEU HD2 . 16889 1 782 . 1 1 75 75 LEU HG H 1 1.637 0.02 . 1 . . . . 75 LEU HG . 16889 1 783 . 1 1 75 75 LEU CA C 13 56.309 0.05 . 1 . . . . 75 LEU CA . 16889 1 784 . 1 1 75 75 LEU CB C 13 38.849 0.05 . 1 . . . . 75 LEU CB . 16889 1 785 . 1 1 75 75 LEU CD1 C 13 23.039 0.05 . 2 . . . . 75 LEU CD1 . 16889 1 786 . 1 1 75 75 LEU CD2 C 13 22.953 0.05 . 2 . . . . 75 LEU CD2 . 16889 1 787 . 1 1 75 75 LEU CG C 13 25.691 0.05 . 1 . . . . 75 LEU CG . 16889 1 788 . 1 1 75 75 LEU N N 15 123.722 0.05 . 1 . . . . 75 LEU N . 16889 1 789 . 1 1 76 76 LYS H H 1 8.208 0.02 . 1 . . . . 76 LYS H . 16889 1 790 . 1 1 76 76 LYS HA H 1 3.879 0.02 . 1 . . . . 76 LYS HA . 16889 1 791 . 1 1 76 76 LYS HB2 H 1 1.942 0.02 . 2 . . . . 76 LYS HB2 . 16889 1 792 . 1 1 76 76 LYS HB3 H 1 1.942 0.02 . 2 . . . . 76 LYS HB3 . 16889 1 793 . 1 1 76 76 LYS HD2 H 1 1.658 0.02 . 2 . . . . 76 LYS HD2 . 16889 1 794 . 1 1 76 76 LYS HE2 H 1 2.942 0.02 . 2 . . . . 76 LYS HE2 . 16889 1 795 . 1 1 76 76 LYS HG2 H 1 1.516 0.02 . 2 . . . . 76 LYS HG2 . 16889 1 796 . 1 1 76 76 LYS HG3 H 1 1.395 0.02 . 2 . . . . 76 LYS HG3 . 16889 1 797 . 1 1 76 76 LYS CA C 13 58.272 0.05 . 1 . . . . 76 LYS CA . 16889 1 798 . 1 1 76 76 LYS CB C 13 29.537 0.05 . 1 . . . . 76 LYS CB . 16889 1 799 . 1 1 76 76 LYS CD C 13 27.044 0.05 . 1 . . . . 76 LYS CD . 16889 1 800 . 1 1 76 76 LYS CE C 13 39.378 0.05 . 1 . . . . 76 LYS CE . 16889 1 801 . 1 1 76 76 LYS CG C 13 23.903 0.05 . 1 . . . . 76 LYS CG . 16889 1 802 . 1 1 76 76 LYS N N 15 119.500 0.05 . 1 . . . . 76 LYS N . 16889 1 803 . 1 1 77 77 SER H H 1 8.542 0.02 . 1 . . . . 77 SER H . 16889 1 804 . 1 1 77 77 SER HA H 1 4.344 0.02 . 1 . . . . 77 SER HA . 16889 1 805 . 1 1 77 77 SER HB2 H 1 4.210 0.02 . 2 . . . . 77 SER HB2 . 16889 1 806 . 1 1 77 77 SER HB3 H 1 3.957 0.02 . 2 . . . . 77 SER HB3 . 16889 1 807 . 1 1 77 77 SER CA C 13 59.589 0.05 . 1 . . . . 77 SER CA . 16889 1 808 . 1 1 77 77 SER CB C 13 60.393 0.05 . 1 . . . . 77 SER CB . 16889 1 809 . 1 1 77 77 SER N N 15 114.312 0.05 . 1 . . . . 77 SER N . 16889 1 810 . 1 1 78 78 LEU H H 1 8.465 0.02 . 1 . . . . 78 LEU H . 16889 1 811 . 1 1 78 78 LEU HA H 1 4.150 0.02 . 1 . . . . 78 LEU HA . 16889 1 812 . 1 1 78 78 LEU HB2 H 1 2.351 0.02 . 2 . . . . 78 LEU HB2 . 16889 1 813 . 1 1 78 78 LEU HB3 H 1 1.691 0.02 . 2 . . . . 78 LEU HB3 . 16889 1 814 . 1 1 78 78 LEU HD11 H 1 0.907 0.02 . 1 . . . . 78 LEU HD1 . 16889 1 815 . 1 1 78 78 LEU HD12 H 1 0.907 0.02 . 1 . . . . 78 LEU HD1 . 16889 1 816 . 1 1 78 78 LEU HD13 H 1 0.907 0.02 . 1 . . . . 78 LEU HD1 . 16889 1 817 . 1 1 78 78 LEU HD21 H 1 0.826 0.02 . 1 . . . . 78 LEU HD2 . 16889 1 818 . 1 1 78 78 LEU HD22 H 1 0.826 0.02 . 1 . . . . 78 LEU HD2 . 16889 1 819 . 1 1 78 78 LEU HD23 H 1 0.826 0.02 . 1 . . . . 78 LEU HD2 . 16889 1 820 . 1 1 78 78 LEU HG H 1 1.398 0.02 . 1 . . . . 78 LEU HG . 16889 1 821 . 1 1 78 78 LEU CA C 13 56.389 0.05 . 1 . . . . 78 LEU CA . 16889 1 822 . 1 1 78 78 LEU CB C 13 39.363 0.05 . 1 . . . . 78 LEU CB . 16889 1 823 . 1 1 78 78 LEU CD1 C 13 21.391 0.05 . 2 . . . . 78 LEU CD1 . 16889 1 824 . 1 1 78 78 LEU CD2 C 13 23.340 0.05 . 2 . . . . 78 LEU CD2 . 16889 1 825 . 1 1 78 78 LEU CG C 13 24.590 0.05 . 1 . . . . 78 LEU CG . 16889 1 826 . 1 1 78 78 LEU N N 15 125.527 0.05 . 1 . . . . 78 LEU N . 16889 1 827 . 1 1 79 79 PHE H H 1 8.629 0.02 . 1 . . . . 79 PHE H . 16889 1 828 . 1 1 79 79 PHE HA H 1 3.657 0.02 . 1 . . . . 79 PHE HA . 16889 1 829 . 1 1 79 79 PHE HB2 H 1 3.280 0.02 . 2 . . . . 79 PHE HB2 . 16889 1 830 . 1 1 79 79 PHE HB3 H 1 2.791 0.02 . 2 . . . . 79 PHE HB3 . 16889 1 831 . 1 1 79 79 PHE HD1 H 1 7.120 0.02 . 1 . . . . 79 PHE HD1 . 16889 1 832 . 1 1 79 79 PHE HE1 H 1 7.120 0.02 . 1 . . . . 79 PHE HE1 . 16889 1 833 . 1 1 79 79 PHE CA C 13 60.124 0.05 . 1 . . . . 79 PHE CA . 16889 1 834 . 1 1 79 79 PHE CB C 13 37.032 0.05 . 1 . . . . 79 PHE CB . 16889 1 835 . 1 1 79 79 PHE CD1 C 13 129.352 0.05 . 1 . . . . 79 PHE CD1 . 16889 1 836 . 1 1 79 79 PHE CE1 C 13 129.250 0.05 . 1 . . . . 79 PHE CE1 . 16889 1 837 . 1 1 79 79 PHE N N 15 119.532 0.05 . 1 . . . . 79 PHE N . 16889 1 838 . 1 1 80 80 ASN H H 1 8.754 0.02 . 1 . . . . 80 ASN H . 16889 1 839 . 1 1 80 80 ASN HA H 1 4.202 0.02 . 1 . . . . 80 ASN HA . 16889 1 840 . 1 1 80 80 ASN HB2 H 1 3.328 0.02 . 2 . . . . 80 ASN HB2 . 16889 1 841 . 1 1 80 80 ASN HB3 H 1 2.710 0.02 . 2 . . . . 80 ASN HB3 . 16889 1 842 . 1 1 80 80 ASN HD21 H 1 7.649 0.02 . 2 . . . . 80 ASN HD21 . 16889 1 843 . 1 1 80 80 ASN HD22 H 1 6.822 0.02 . 2 . . . . 80 ASN HD22 . 16889 1 844 . 1 1 80 80 ASN CA C 13 53.829 0.05 . 1 . . . . 80 ASN CA . 16889 1 845 . 1 1 80 80 ASN CB C 13 35.617 0.05 . 1 . . . . 80 ASN CB . 16889 1 846 . 1 1 80 80 ASN N N 15 118.875 0.05 . 1 . . . . 80 ASN N . 16889 1 847 . 1 1 80 80 ASN ND2 N 15 107.659 0.05 . 1 . . . . 80 ASN ND2 . 16889 1 848 . 1 1 81 81 THR H H 1 8.267 0.02 . 1 . . . . 81 THR H . 16889 1 849 . 1 1 81 81 THR HA H 1 3.768 0.02 . 1 . . . . 81 THR HA . 16889 1 850 . 1 1 81 81 THR HB H 1 4.479 0.02 . 1 . . . . 81 THR HB . 16889 1 851 . 1 1 81 81 THR HG21 H 1 1.218 0.02 . 1 . . . . 81 THR HG2 . 16889 1 852 . 1 1 81 81 THR HG22 H 1 1.218 0.02 . 1 . . . . 81 THR HG2 . 16889 1 853 . 1 1 81 81 THR HG23 H 1 1.218 0.02 . 1 . . . . 81 THR HG2 . 16889 1 854 . 1 1 81 81 THR CA C 13 64.957 0.05 . 1 . . . . 81 THR CA . 16889 1 855 . 1 1 81 81 THR CB C 13 65.869 0.05 . 1 . . . . 81 THR CB . 16889 1 856 . 1 1 81 81 THR CG2 C 13 18.664 0.05 . 1 . . . . 81 THR CG2 . 16889 1 857 . 1 1 81 81 THR N N 15 115.437 0.05 . 1 . . . . 81 THR N . 16889 1 858 . 1 1 82 82 VAL H H 1 8.366 0.02 . 1 . . . . 82 VAL H . 16889 1 859 . 1 1 82 82 VAL HA H 1 3.526 0.02 . 1 . . . . 82 VAL HA . 16889 1 860 . 1 1 82 82 VAL HB H 1 2.003 0.02 . 1 . . . . 82 VAL HB . 16889 1 861 . 1 1 82 82 VAL HG11 H 1 0.910 0.02 . 1 . . . . 82 VAL HG1 . 16889 1 862 . 1 1 82 82 VAL HG12 H 1 0.910 0.02 . 1 . . . . 82 VAL HG1 . 16889 1 863 . 1 1 82 82 VAL HG13 H 1 0.910 0.02 . 1 . . . . 82 VAL HG1 . 16889 1 864 . 1 1 82 82 VAL HG21 H 1 0.948 0.02 . 1 . . . . 82 VAL HG2 . 16889 1 865 . 1 1 82 82 VAL HG22 H 1 0.948 0.02 . 1 . . . . 82 VAL HG2 . 16889 1 866 . 1 1 82 82 VAL HG23 H 1 0.948 0.02 . 1 . . . . 82 VAL HG2 . 16889 1 867 . 1 1 82 82 VAL CA C 13 66.346 0.05 . 1 . . . . 82 VAL CA . 16889 1 868 . 1 1 82 82 VAL CB C 13 27.846 0.05 . 1 . . . . 82 VAL CB . 16889 1 869 . 1 1 82 82 VAL CG1 C 13 20.384 0.05 . 2 . . . . 82 VAL CG1 . 16889 1 870 . 1 1 82 82 VAL CG2 C 13 20.461 0.05 . 2 . . . . 82 VAL CG2 . 16889 1 871 . 1 1 82 82 VAL N N 15 120.944 0.05 . 1 . . . . 82 VAL N . 16889 1 872 . 1 1 83 83 CYS H H 1 8.120 0.02 . 1 . . . . 83 CYS H . 16889 1 873 . 1 1 83 83 CYS HA H 1 3.927 0.02 . 1 . . . . 83 CYS HA . 16889 1 874 . 1 1 83 83 CYS HB2 H 1 3.400 0.02 . 2 . . . . 83 CYS HB2 . 16889 1 875 . 1 1 83 83 CYS HB3 H 1 2.014 0.02 . 2 . . . . 83 CYS HB3 . 16889 1 876 . 1 1 83 83 CYS CA C 13 62.762 0.05 . 1 . . . . 83 CYS CA . 16889 1 877 . 1 1 83 83 CYS CB C 13 43.856 0.05 . 1 . . . . 83 CYS CB . 16889 1 878 . 1 1 83 83 CYS N N 15 118.875 0.05 . 1 . . . . 83 CYS N . 16889 1 879 . 1 1 84 84 VAL H H 1 7.221 0.02 . 1 . . . . 84 VAL H . 16889 1 880 . 1 1 84 84 VAL HA H 1 3.222 0.02 . 1 . . . . 84 VAL HA . 16889 1 881 . 1 1 84 84 VAL HB H 1 1.976 0.02 . 1 . . . . 84 VAL HB . 16889 1 882 . 1 1 84 84 VAL HG11 H 1 0.763 0.02 . 1 . . . . 84 VAL HG1 . 16889 1 883 . 1 1 84 84 VAL HG12 H 1 0.763 0.02 . 1 . . . . 84 VAL HG1 . 16889 1 884 . 1 1 84 84 VAL HG13 H 1 0.763 0.02 . 1 . . . . 84 VAL HG1 . 16889 1 885 . 1 1 84 84 VAL HG21 H 1 0.743 0.02 . 1 . . . . 84 VAL HG2 . 16889 1 886 . 1 1 84 84 VAL HG22 H 1 0.743 0.02 . 1 . . . . 84 VAL HG2 . 16889 1 887 . 1 1 84 84 VAL HG23 H 1 0.743 0.02 . 1 . . . . 84 VAL HG2 . 16889 1 888 . 1 1 84 84 VAL CA C 13 64.758 0.05 . 1 . . . . 84 VAL CA . 16889 1 889 . 1 1 84 84 VAL CB C 13 28.399 0.05 . 1 . . . . 84 VAL CB . 16889 1 890 . 1 1 84 84 VAL CG1 C 13 20.363 0.05 . 2 . . . . 84 VAL CG1 . 16889 1 891 . 1 1 84 84 VAL CG2 C 13 20.363 0.05 . 2 . . . . 84 VAL CG2 . 16889 1 892 . 1 1 84 84 VAL N N 15 119.812 0.05 . 1 . . . . 84 VAL N . 16889 1 893 . 1 1 85 85 ILE H H 1 7.869 0.02 . 1 . . . . 85 ILE H . 16889 1 894 . 1 1 85 85 ILE HA H 1 3.174 0.02 . 1 . . . . 85 ILE HA . 16889 1 895 . 1 1 85 85 ILE HB H 1 1.872 0.02 . 1 . . . . 85 ILE HB . 16889 1 896 . 1 1 85 85 ILE HG12 H 1 1.741 0.02 . 2 . . . . 85 ILE HG12 . 16889 1 897 . 1 1 85 85 ILE HG13 H 1 0.768 0.02 . 2 . . . . 85 ILE HG13 . 16889 1 898 . 1 1 85 85 ILE HG21 H 1 0.874 0.02 . 1 . . . . 85 ILE HG2 . 16889 1 899 . 1 1 85 85 ILE HG22 H 1 0.874 0.02 . 1 . . . . 85 ILE HG2 . 16889 1 900 . 1 1 85 85 ILE HG23 H 1 0.874 0.02 . 1 . . . . 85 ILE HG2 . 16889 1 901 . 1 1 85 85 ILE CA C 13 63.253 0.05 . 1 . . . . 85 ILE CA . 16889 1 902 . 1 1 85 85 ILE CB C 13 34.873 0.05 . 1 . . . . 85 ILE CB . 16889 1 903 . 1 1 85 85 ILE CG1 C 13 25.609 0.05 . 1 . . . . 85 ILE CG1 . 16889 1 904 . 1 1 85 85 ILE CG2 C 13 16.398 0.05 . 1 . . . . 85 ILE CG2 . 16889 1 905 . 1 1 85 85 ILE N N 15 118.250 0.05 . 1 . . . . 85 ILE N . 16889 1 906 . 1 1 86 86 TRP H H 1 8.916 0.02 . 1 . . . . 86 TRP H . 16889 1 907 . 1 1 86 86 TRP HA H 1 3.751 0.02 . 1 . . . . 86 TRP HA . 16889 1 908 . 1 1 86 86 TRP HB2 H 1 3.643 0.02 . 2 . . . . 86 TRP HB2 . 16889 1 909 . 1 1 86 86 TRP HB3 H 1 2.939 0.02 . 2 . . . . 86 TRP HB3 . 16889 1 910 . 1 1 86 86 TRP HD1 H 1 7.186 0.02 . 1 . . . . 86 TRP HD1 . 16889 1 911 . 1 1 86 86 TRP HE1 H 1 10.066 0.02 . 1 . . . . 86 TRP HE1 . 16889 1 912 . 1 1 86 86 TRP HZ2 H 1 6.836 0.02 . 1 . . . . 86 TRP HZ2 . 16889 1 913 . 1 1 86 86 TRP HZ3 H 1 6.689 0.02 . 1 . . . . 86 TRP HZ3 . 16889 1 914 . 1 1 86 86 TRP CA C 13 61.892 0.05 . 1 . . . . 86 TRP CA . 16889 1 915 . 1 1 86 86 TRP CB C 13 27.031 0.05 . 1 . . . . 86 TRP CB . 16889 1 916 . 1 1 86 86 TRP CD1 C 13 122.719 0.05 . 1 . . . . 86 TRP CD1 . 16889 1 917 . 1 1 86 86 TRP CZ2 C 13 110.151 0.05 . 1 . . . . 86 TRP CZ2 . 16889 1 918 . 1 1 86 86 TRP CZ3 C 13 118.221 0.05 . 1 . . . . 86 TRP CZ3 . 16889 1 919 . 1 1 86 86 TRP N N 15 119.812 0.05 . 1 . . . . 86 TRP N . 16889 1 920 . 1 1 86 86 TRP NE1 N 15 127.937 0.05 . 1 . . . . 86 TRP NE1 . 16889 1 921 . 1 1 87 87 CYS H H 1 7.752 0.02 . 1 . . . . 87 CYS H . 16889 1 922 . 1 1 87 87 CYS HA H 1 3.869 0.02 . 1 . . . . 87 CYS HA . 16889 1 923 . 1 1 87 87 CYS HB2 H 1 3.297 0.02 . 2 . . . . 87 CYS HB2 . 16889 1 924 . 1 1 87 87 CYS HB3 H 1 3.070 0.02 . 2 . . . . 87 CYS HB3 . 16889 1 925 . 1 1 87 87 CYS CA C 13 62.709 0.05 . 1 . . . . 87 CYS CA . 16889 1 926 . 1 1 87 87 CYS CB C 13 43.896 0.05 . 1 . . . . 87 CYS CB . 16889 1 927 . 1 1 87 87 CYS N N 15 114.500 0.05 . 1 . . . . 87 CYS N . 16889 1 928 . 1 1 88 88 ILE H H 1 7.693 0.02 . 1 . . . . 88 ILE H . 16889 1 929 . 1 1 88 88 ILE HA H 1 3.740 0.02 . 1 . . . . 88 ILE HA . 16889 1 930 . 1 1 88 88 ILE HB H 1 1.754 0.02 . 1 . . . . 88 ILE HB . 16889 1 931 . 1 1 88 88 ILE HD11 H 1 0.552 0.02 . 1 . . . . 88 ILE HD1 . 16889 1 932 . 1 1 88 88 ILE HD12 H 1 0.552 0.02 . 1 . . . . 88 ILE HD1 . 16889 1 933 . 1 1 88 88 ILE HD13 H 1 0.552 0.02 . 1 . . . . 88 ILE HD1 . 16889 1 934 . 1 1 88 88 ILE HG12 H 1 0.932 0.02 . 2 . . . . 88 ILE HG12 . 16889 1 935 . 1 1 88 88 ILE HG13 H 1 1.513 0.02 . 2 . . . . 88 ILE HG13 . 16889 1 936 . 1 1 88 88 ILE HG21 H 1 0.704 0.02 . 1 . . . . 88 ILE HG2 . 16889 1 937 . 1 1 88 88 ILE HG22 H 1 0.704 0.02 . 1 . . . . 88 ILE HG2 . 16889 1 938 . 1 1 88 88 ILE HG23 H 1 0.704 0.02 . 1 . . . . 88 ILE HG2 . 16889 1 939 . 1 1 88 88 ILE CA C 13 61.697 0.05 . 1 . . . . 88 ILE CA . 16889 1 940 . 1 1 88 88 ILE CB C 13 34.509 0.05 . 1 . . . . 88 ILE CB . 16889 1 941 . 1 1 88 88 ILE CD1 C 13 10.789 0.05 . 1 . . . . 88 ILE CD1 . 16889 1 942 . 1 1 88 88 ILE CG1 C 13 25.623 0.05 . 1 . . . . 88 ILE CG1 . 16889 1 943 . 1 1 88 88 ILE CG2 C 13 14.670 0.05 . 1 . . . . 88 ILE CG2 . 16889 1 944 . 1 1 88 88 ILE N N 15 120.125 0.05 . 1 . . . . 88 ILE N . 16889 1 945 . 1 1 89 89 HIS H H 1 8.132 0.02 . 1 . . . . 89 HIS H . 16889 1 946 . 1 1 89 89 HIS HA H 1 4.372 0.02 . 1 . . . . 89 HIS HA . 16889 1 947 . 1 1 89 89 HIS HB2 H 1 2.843 0.02 . 2 . . . . 89 HIS HB2 . 16889 1 948 . 1 1 89 89 HIS HB3 H 1 2.736 0.02 . 2 . . . . 89 HIS HB3 . 16889 1 949 . 1 1 89 89 HIS HD2 H 1 6.596 0.02 . 1 . . . . 89 HIS HD2 . 16889 1 950 . 1 1 89 89 HIS HE1 H 1 7.544 0.02 . 1 . . . . 89 HIS HE1 . 16889 1 951 . 1 1 89 89 HIS CA C 13 56.290 0.05 . 1 . . . . 89 HIS CA . 16889 1 952 . 1 1 89 89 HIS CB C 13 28.337 0.05 . 1 . . . . 89 HIS CB . 16889 1 953 . 1 1 89 89 HIS CD2 C 13 115.735 0.05 . 1 . . . . 89 HIS CD2 . 16889 1 954 . 1 1 89 89 HIS CE1 C 13 135.778 0.05 . 1 . . . . 89 HIS CE1 . 16889 1 955 . 1 1 89 89 HIS N N 15 119.546 0.05 . 1 . . . . 89 HIS N . 16889 1 956 . 1 1 90 90 ALA H H 1 8.356 0.02 . 1 . . . . 90 ALA H . 16889 1 957 . 1 1 90 90 ALA HA H 1 3.762 0.02 . 1 . . . . 90 ALA HA . 16889 1 958 . 1 1 90 90 ALA HB1 H 1 0.341 0.02 . 1 . . . . 90 ALA HB1 . 16889 1 959 . 1 1 90 90 ALA HB2 H 1 0.341 0.02 . 1 . . . . 90 ALA HB1 . 16889 1 960 . 1 1 90 90 ALA HB3 H 1 0.341 0.02 . 1 . . . . 90 ALA HB1 . 16889 1 961 . 1 1 90 90 ALA CA C 13 49.495 0.05 . 1 . . . . 90 ALA CA . 16889 1 962 . 1 1 90 90 ALA CB C 13 15.702 0.05 . 1 . . . . 90 ALA CB . 16889 1 963 . 1 1 90 90 ALA N N 15 119.812 0.05 . 1 . . . . 90 ALA N . 16889 1 964 . 1 1 91 91 GLU H H 1 7.486 0.02 . 1 . . . . 91 GLU H . 16889 1 965 . 1 1 91 91 GLU HA H 1 3.773 0.02 . 1 . . . . 91 GLU HA . 16889 1 966 . 1 1 91 91 GLU HB2 H 1 2.130 0.02 . 2 . . . . 91 GLU HB2 . 16889 1 967 . 1 1 91 91 GLU HG2 H 1 2.134 0.02 . 2 . . . . 91 GLU HG2 . 16889 1 968 . 1 1 91 91 GLU CA C 13 54.561 0.05 . 1 . . . . 91 GLU CA . 16889 1 969 . 1 1 91 91 GLU CB C 13 23.894 0.05 . 1 . . . . 91 GLU CB . 16889 1 970 . 1 1 91 91 GLU CG C 13 34.454 0.05 . 1 . . . . 91 GLU CG . 16889 1 971 . 1 1 91 91 GLU N N 15 113.875 0.05 . 1 . . . . 91 GLU N . 16889 1 972 . 1 1 92 92 GLU H H 1 8.120 0.02 . 1 . . . . 92 GLU H . 16889 1 973 . 1 1 92 92 GLU HA H 1 4.383 0.02 . 1 . . . . 92 GLU HA . 16889 1 974 . 1 1 92 92 GLU HB2 H 1 1.988 0.02 . 2 . . . . 92 GLU HB2 . 16889 1 975 . 1 1 92 92 GLU HB3 H 1 1.542 0.02 . 2 . . . . 92 GLU HB3 . 16889 1 976 . 1 1 92 92 GLU HG2 H 1 2.108 0.02 . 2 . . . . 92 GLU HG2 . 16889 1 977 . 1 1 92 92 GLU CA C 13 52.175 0.05 . 1 . . . . 92 GLU CA . 16889 1 978 . 1 1 92 92 GLU CB C 13 27.570 0.05 . 1 . . . . 92 GLU CB . 16889 1 979 . 1 1 92 92 GLU CG C 13 33.279 0.05 . 1 . . . . 92 GLU CG . 16889 1 980 . 1 1 92 92 GLU N N 15 118.562 0.05 . 1 . . . . 92 GLU N . 16889 1 981 . 1 1 93 93 LYS H H 1 8.385 0.02 . 1 . . . . 93 LYS H . 16889 1 982 . 1 1 93 93 LYS HA H 1 4.251 0.02 . 1 . . . . 93 LYS HA . 16889 1 983 . 1 1 93 93 LYS HB2 H 1 1.733 0.02 . 2 . . . . 93 LYS HB2 . 16889 1 984 . 1 1 93 93 LYS HD2 H 1 1.619 0.02 . 2 . . . . 93 LYS HD2 . 16889 1 985 . 1 1 93 93 LYS HE2 H 1 3.178 0.02 . 2 . . . . 93 LYS HE2 . 16889 1 986 . 1 1 93 93 LYS HG2 H 1 1.395 0.02 . 2 . . . . 93 LYS HG2 . 16889 1 987 . 1 1 93 93 LYS CA C 13 53.165 0.05 . 1 . . . . 93 LYS CA . 16889 1 988 . 1 1 93 93 LYS CB C 13 28.678 0.05 . 1 . . . . 93 LYS CB . 16889 1 989 . 1 1 93 93 LYS CD C 13 25.607 0.05 . 1 . . . . 93 LYS CD . 16889 1 990 . 1 1 93 93 LYS CE C 13 40.725 0.05 . 1 . . . . 93 LYS CE . 16889 1 991 . 1 1 93 93 LYS CG C 13 21.451 0.05 . 1 . . . . 93 LYS CG . 16889 1 992 . 1 1 93 93 LYS N N 15 124.500 0.05 . 1 . . . . 93 LYS N . 16889 1 993 . 1 1 94 94 VAL H H 1 8.223 0.02 . 1 . . . . 94 VAL H . 16889 1 994 . 1 1 94 94 VAL HA H 1 4.537 0.02 . 1 . . . . 94 VAL HA . 16889 1 995 . 1 1 94 94 VAL HB H 1 2.073 0.02 . 1 . . . . 94 VAL HB . 16889 1 996 . 1 1 94 94 VAL HG11 H 1 0.896 0.02 . 1 . . . . 94 VAL HG1 . 16889 1 997 . 1 1 94 94 VAL HG12 H 1 0.896 0.02 . 1 . . . . 94 VAL HG1 . 16889 1 998 . 1 1 94 94 VAL HG13 H 1 0.896 0.02 . 1 . . . . 94 VAL HG1 . 16889 1 999 . 1 1 94 94 VAL HG21 H 1 0.831 0.02 . 1 . . . . 94 VAL HG2 . 16889 1 1000 . 1 1 94 94 VAL HG22 H 1 0.831 0.02 . 1 . . . . 94 VAL HG2 . 16889 1 1001 . 1 1 94 94 VAL HG23 H 1 0.831 0.02 . 1 . . . . 94 VAL HG2 . 16889 1 1002 . 1 1 94 94 VAL CA C 13 56.914 0.05 . 1 . . . . 94 VAL CA . 16889 1 1003 . 1 1 94 94 VAL CB C 13 33.055 0.05 . 1 . . . . 94 VAL CB . 16889 1 1004 . 1 1 94 94 VAL CG1 C 13 19.950 0.05 . 2 . . . . 94 VAL CG1 . 16889 1 1005 . 1 1 94 94 VAL CG2 C 13 15.921 0.05 . 2 . . . . 94 VAL CG2 . 16889 1 1006 . 1 1 94 94 VAL N N 15 117.937 0.05 . 1 . . . . 94 VAL N . 16889 1 1007 . 1 1 95 95 LYS H H 1 9.181 0.02 . 1 . . . . 95 LYS H . 16889 1 1008 . 1 1 95 95 LYS HA H 1 4.517 0.02 . 1 . . . . 95 LYS HA . 16889 1 1009 . 1 1 95 95 LYS HB2 H 1 1.892 0.02 . 2 . . . . 95 LYS HB2 . 16889 1 1010 . 1 1 95 95 LYS HD2 H 1 1.721 0.02 . 2 . . . . 95 LYS HD2 . 16889 1 1011 . 1 1 95 95 LYS HE2 H 1 3.001 0.02 . 2 . . . . 95 LYS HE2 . 16889 1 1012 . 1 1 95 95 LYS HG2 H 1 1.492 0.02 . 2 . . . . 95 LYS HG2 . 16889 1 1013 . 1 1 95 95 LYS CA C 13 53.787 0.05 . 1 . . . . 95 LYS CA . 16889 1 1014 . 1 1 95 95 LYS CB C 13 31.725 0.05 . 1 . . . . 95 LYS CB . 16889 1 1015 . 1 1 95 95 LYS CD C 13 26.349 0.05 . 1 . . . . 95 LYS CD . 16889 1 1016 . 1 1 95 95 LYS CE C 13 39.403 0.05 . 1 . . . . 95 LYS CE . 16889 1 1017 . 1 1 95 95 LYS CG C 13 22.746 0.05 . 1 . . . . 95 LYS CG . 16889 1 1018 . 1 1 95 95 LYS N N 15 118.250 0.05 . 1 . . . . 95 LYS N . 16889 1 1019 . 1 1 96 96 ASP H H 1 7.486 0.02 . 1 . . . . 96 ASP H . 16889 1 1020 . 1 1 96 96 ASP HA H 1 5.736 0.02 . 1 . . . . 96 ASP HA . 16889 1 1021 . 1 1 96 96 ASP HB2 H 1 2.210 0.02 . 2 . . . . 96 ASP HB2 . 16889 1 1022 . 1 1 96 96 ASP HB3 H 1 2.884 0.02 . 2 . . . . 96 ASP HB3 . 16889 1 1023 . 1 1 96 96 ASP CA C 13 50.499 0.05 . 1 . . . . 96 ASP CA . 16889 1 1024 . 1 1 96 96 ASP CB C 13 41.916 0.05 . 1 . . . . 96 ASP CB . 16889 1 1025 . 1 1 96 96 ASP N N 15 112.625 0.05 . 1 . . . . 96 ASP N . 16889 1 1026 . 1 1 97 97 THR H H 1 7.383 0.02 . 1 . . . . 97 THR H . 16889 1 1027 . 1 1 97 97 THR HA H 1 3.605 0.02 . 1 . . . . 97 THR HA . 16889 1 1028 . 1 1 97 97 THR HB H 1 4.121 0.02 . 1 . . . . 97 THR HB . 16889 1 1029 . 1 1 97 97 THR HG21 H 1 1.306 0.02 . 1 . . . . 97 THR HG2 . 16889 1 1030 . 1 1 97 97 THR HG22 H 1 1.306 0.02 . 1 . . . . 97 THR HG2 . 16889 1 1031 . 1 1 97 97 THR HG23 H 1 1.306 0.02 . 1 . . . . 97 THR HG2 . 16889 1 1032 . 1 1 97 97 THR CA C 13 63.722 0.05 . 1 . . . . 97 THR CA . 16889 1 1033 . 1 1 97 97 THR CB C 13 67.601 0.05 . 1 . . . . 97 THR CB . 16889 1 1034 . 1 1 97 97 THR CG2 C 13 20.189 0.05 . 1 . . . . 97 THR CG2 . 16889 1 1035 . 1 1 97 97 THR N N 15 110.437 0.05 . 1 . . . . 97 THR N . 16889 1 1036 . 1 1 98 98 GLU H H 1 8.194 0.02 . 1 . . . . 98 GLU H . 16889 1 1037 . 1 1 98 98 GLU HA H 1 4.100 0.02 . 1 . . . . 98 GLU HA . 16889 1 1038 . 1 1 98 98 GLU HB2 H 1 2.122 0.02 . 2 . . . . 98 GLU HB2 . 16889 1 1039 . 1 1 98 98 GLU HB3 H 1 2.016 0.02 . 2 . . . . 98 GLU HB3 . 16889 1 1040 . 1 1 98 98 GLU HG2 H 1 1.921 0.02 . 2 . . . . 98 GLU HG2 . 16889 1 1041 . 1 1 98 98 GLU HG3 H 1 2.219 0.02 . 2 . . . . 98 GLU HG3 . 16889 1 1042 . 1 1 98 98 GLU CA C 13 56.481 0.05 . 1 . . . . 98 GLU CA . 16889 1 1043 . 1 1 98 98 GLU CB C 13 25.735 0.05 . 1 . . . . 98 GLU CB . 16889 1 1044 . 1 1 98 98 GLU CG C 13 36.812 0.05 . 1 . . . . 98 GLU CG . 16889 1 1045 . 1 1 98 98 GLU N N 15 119.187 0.05 . 1 . . . . 98 GLU N . 16889 1 1046 . 1 1 99 99 GLY H H 1 7.965 0.02 . 1 . . . . 99 GLY H . 16889 1 1047 . 1 1 99 99 GLY HA2 H 1 3.852 0.02 . 2 . . . . 99 GLY HA2 . 16889 1 1048 . 1 1 99 99 GLY HA3 H 1 4.236 0.02 . 2 . . . . 99 GLY HA3 . 16889 1 1049 . 1 1 99 99 GLY CA C 13 44.520 0.05 . 1 . . . . 99 GLY CA . 16889 1 1050 . 1 1 99 99 GLY N N 15 106.062 0.05 . 1 . . . . 99 GLY N . 16889 1 1051 . 1 1 100 100 ALA H H 1 7.516 0.02 . 1 . . . . 100 ALA H . 16889 1 1052 . 1 1 100 100 ALA HA H 1 4.465 0.02 . 1 . . . . 100 ALA HA . 16889 1 1053 . 1 1 100 100 ALA HB1 H 1 1.399 0.02 . 1 . . . . 100 ALA HB1 . 16889 1 1054 . 1 1 100 100 ALA HB2 H 1 1.399 0.02 . 1 . . . . 100 ALA HB1 . 16889 1 1055 . 1 1 100 100 ALA HB3 H 1 1.399 0.02 . 1 . . . . 100 ALA HB1 . 16889 1 1056 . 1 1 100 100 ALA CA C 13 52.044 0.05 . 1 . . . . 100 ALA CA . 16889 1 1057 . 1 1 100 100 ALA CB C 13 17.066 0.05 . 1 . . . . 100 ALA CB . 16889 1 1058 . 1 1 100 100 ALA N N 15 122.625 0.05 . 1 . . . . 100 ALA N . 16889 1 1059 . 1 1 101 101 LYS H H 1 8.179 0.02 . 1 . . . . 101 LYS H . 16889 1 1060 . 1 1 101 101 LYS HA H 1 3.871 0.02 . 1 . . . . 101 LYS HA . 16889 1 1061 . 1 1 101 101 LYS HB2 H 1 1.989 0.02 . 2 . . . . 101 LYS HB2 . 16889 1 1062 . 1 1 101 101 LYS HB3 H 1 1.880 0.02 . 2 . . . . 101 LYS HB3 . 16889 1 1063 . 1 1 101 101 LYS HD2 H 1 1.763 0.02 . 2 . . . . 101 LYS HD2 . 16889 1 1064 . 1 1 101 101 LYS HE2 H 1 2.999 0.02 . 2 . . . . 101 LYS HE2 . 16889 1 1065 . 1 1 101 101 LYS HG2 H 1 1.772 0.02 . 2 . . . . 101 LYS HG2 . 16889 1 1066 . 1 1 101 101 LYS CA C 13 57.209 0.05 . 1 . . . . 101 LYS CA . 16889 1 1067 . 1 1 101 101 LYS CB C 13 29.864 0.05 . 1 . . . . 101 LYS CB . 16889 1 1068 . 1 1 101 101 LYS CD C 13 26.925 0.05 . 1 . . . . 101 LYS CD . 16889 1 1069 . 1 1 101 101 LYS CE C 13 39.072 0.05 . 1 . . . . 101 LYS CE . 16889 1 1070 . 1 1 101 101 LYS CG C 13 21.884 0.05 . 1 . . . . 101 LYS CG . 16889 1 1071 . 1 1 101 101 LYS N N 15 117.312 0.05 . 1 . . . . 101 LYS N . 16889 1 1072 . 1 1 102 102 GLN H H 1 7.810 0.02 . 1 . . . . 102 GLN H . 16889 1 1073 . 1 1 102 102 GLN HA H 1 4.048 0.02 . 1 . . . . 102 GLN HA . 16889 1 1074 . 1 1 102 102 GLN HB2 H 1 2.207 0.02 . 2 . . . . 102 GLN HB2 . 16889 1 1075 . 1 1 102 102 GLN HB3 H 1 2.153 0.02 . 2 . . . . 102 GLN HB3 . 16889 1 1076 . 1 1 102 102 GLN HG2 H 1 2.578 0.02 . 2 . . . . 102 GLN HG2 . 16889 1 1077 . 1 1 102 102 GLN HG3 H 1 2.406 0.02 . 2 . . . . 102 GLN HG3 . 16889 1 1078 . 1 1 102 102 GLN CA C 13 56.416 0.05 . 1 . . . . 102 GLN CA . 16889 1 1079 . 1 1 102 102 GLN CB C 13 25.800 0.05 . 1 . . . . 102 GLN CB . 16889 1 1080 . 1 1 102 102 GLN CG C 13 31.364 0.05 . 1 . . . . 102 GLN CG . 16889 1 1081 . 1 1 102 102 GLN N N 15 117.000 0.05 . 1 . . . . 102 GLN N . 16889 1 1082 . 1 1 103 103 ILE H H 1 7.575 0.02 . 1 . . . . 103 ILE H . 16889 1 1083 . 1 1 103 103 ILE HA H 1 3.733 0.02 . 1 . . . . 103 ILE HA . 16889 1 1084 . 1 1 103 103 ILE HB H 1 1.992 0.02 . 1 . . . . 103 ILE HB . 16889 1 1085 . 1 1 103 103 ILE HD11 H 1 0.896 0.02 . 1 . . . . 103 ILE HD1 . 16889 1 1086 . 1 1 103 103 ILE HD12 H 1 0.896 0.02 . 1 . . . . 103 ILE HD1 . 16889 1 1087 . 1 1 103 103 ILE HD13 H 1 0.896 0.02 . 1 . . . . 103 ILE HD1 . 16889 1 1088 . 1 1 103 103 ILE HG12 H 1 1.752 0.02 . 2 . . . . 103 ILE HG12 . 16889 1 1089 . 1 1 103 103 ILE HG13 H 1 1.287 0.02 . 2 . . . . 103 ILE HG13 . 16889 1 1090 . 1 1 103 103 ILE HG21 H 1 1.097 0.02 . 1 . . . . 103 ILE HG2 . 16889 1 1091 . 1 1 103 103 ILE HG22 H 1 1.097 0.02 . 1 . . . . 103 ILE HG2 . 16889 1 1092 . 1 1 103 103 ILE HG23 H 1 1.097 0.02 . 1 . . . . 103 ILE HG2 . 16889 1 1093 . 1 1 103 103 ILE CA C 13 61.881 0.05 . 1 . . . . 103 ILE CA . 16889 1 1094 . 1 1 103 103 ILE CB C 13 35.153 0.05 . 1 . . . . 103 ILE CB . 16889 1 1095 . 1 1 103 103 ILE CD1 C 13 10.809 0.05 . 1 . . . . 103 ILE CD1 . 16889 1 1096 . 1 1 103 103 ILE CG1 C 13 26.389 0.05 . 1 . . . . 103 ILE CG1 . 16889 1 1097 . 1 1 103 103 ILE CG2 C 13 16.172 0.05 . 1 . . . . 103 ILE CG2 . 16889 1 1098 . 1 1 103 103 ILE N N 15 119.812 0.05 . 1 . . . . 103 ILE N . 16889 1 1099 . 1 1 104 104 VAL H H 1 7.943 0.02 . 1 . . . . 104 VAL H . 16889 1 1100 . 1 1 104 104 VAL HA H 1 2.722 0.02 . 1 . . . . 104 VAL HA . 16889 1 1101 . 1 1 104 104 VAL HB H 1 1.760 0.02 . 1 . . . . 104 VAL HB . 16889 1 1102 . 1 1 104 104 VAL HG11 H 1 0.509 0.02 . 1 . . . . 104 VAL HG1 . 16889 1 1103 . 1 1 104 104 VAL HG12 H 1 0.509 0.02 . 1 . . . . 104 VAL HG1 . 16889 1 1104 . 1 1 104 104 VAL HG13 H 1 0.509 0.02 . 1 . . . . 104 VAL HG1 . 16889 1 1105 . 1 1 104 104 VAL HG21 H 1 0.509 0.02 . 1 . . . . 104 VAL HG2 . 16889 1 1106 . 1 1 104 104 VAL HG22 H 1 0.509 0.02 . 1 . . . . 104 VAL HG2 . 16889 1 1107 . 1 1 104 104 VAL HG23 H 1 0.509 0.02 . 1 . . . . 104 VAL HG2 . 16889 1 1108 . 1 1 104 104 VAL CA C 13 64.265 0.05 . 1 . . . . 104 VAL CA . 16889 1 1109 . 1 1 104 104 VAL CB C 13 28.906 0.05 . 1 . . . . 104 VAL CB . 16889 1 1110 . 1 1 104 104 VAL CG1 C 13 18.915 0.05 . 2 . . . . 104 VAL CG1 . 16889 1 1111 . 1 1 104 104 VAL CG2 C 13 21.420 0.05 . 2 . . . . 104 VAL CG2 . 16889 1 1112 . 1 1 104 104 VAL N N 15 120.437 0.05 . 1 . . . . 104 VAL N . 16889 1 1113 . 1 1 105 105 ARG H H 1 8.135 0.02 . 1 . . . . 105 ARG H . 16889 1 1114 . 1 1 105 105 ARG HA H 1 3.858 0.02 . 1 . . . . 105 ARG HA . 16889 1 1115 . 1 1 105 105 ARG HB2 H 1 2.001 0.02 . 2 . . . . 105 ARG HB2 . 16889 1 1116 . 1 1 105 105 ARG HB3 H 1 1.869 0.02 . 2 . . . . 105 ARG HB3 . 16889 1 1117 . 1 1 105 105 ARG HD2 H 1 3.223 0.02 . 2 . . . . 105 ARG HD2 . 16889 1 1118 . 1 1 105 105 ARG HG2 H 1 1.766 0.02 . 2 . . . . 105 ARG HG2 . 16889 1 1119 . 1 1 105 105 ARG CA C 13 56.618 0.05 . 1 . . . . 105 ARG CA . 16889 1 1120 . 1 1 105 105 ARG CB C 13 26.359 0.05 . 1 . . . . 105 ARG CB . 16889 1 1121 . 1 1 105 105 ARG CD C 13 40.132 0.05 . 1 . . . . 105 ARG CD . 16889 1 1122 . 1 1 105 105 ARG CG C 13 24.409 0.05 . 1 . . . . 105 ARG CG . 16889 1 1123 . 1 1 105 105 ARG N N 15 117.937 0.05 . 1 . . . . 105 ARG N . 16889 1 1124 . 1 1 106 106 ARG H H 1 7.383 0.02 . 1 . . . . 106 ARG H . 16889 1 1125 . 1 1 106 106 ARG HA H 1 4.017 0.02 . 1 . . . . 106 ARG HA . 16889 1 1126 . 1 1 106 106 ARG HB2 H 1 1.845 0.02 . 2 . . . . 106 ARG HB2 . 16889 1 1127 . 1 1 106 106 ARG HB3 H 1 1.758 0.02 . 2 . . . . 106 ARG HB3 . 16889 1 1128 . 1 1 106 106 ARG HG2 H 1 1.768 0.02 . 2 . . . . 106 ARG HG2 . 16889 1 1129 . 1 1 106 106 ARG HG3 H 1 1.650 0.02 . 2 . . . . 106 ARG HG3 . 16889 1 1130 . 1 1 106 106 ARG CA C 13 56.011 0.05 . 1 . . . . 106 ARG CA . 16889 1 1131 . 1 1 106 106 ARG CB C 13 27.462 0.05 . 1 . . . . 106 ARG CB . 16889 1 1132 . 1 1 106 106 ARG CG C 13 24.954 0.05 . 1 . . . . 106 ARG CG . 16889 1 1133 . 1 1 106 106 ARG N N 15 116.375 0.05 . 1 . . . . 106 ARG N . 16889 1 1134 . 1 1 107 107 HIS H H 1 7.707 0.02 . 1 . . . . 107 HIS H . 16889 1 1135 . 1 1 107 107 HIS HA H 1 4.370 0.02 . 1 . . . . 107 HIS HA . 16889 1 1136 . 1 1 107 107 HIS HB2 H 1 2.820 0.02 . 2 . . . . 107 HIS HB2 . 16889 1 1137 . 1 1 107 107 HIS HB3 H 1 3.181 0.02 . 2 . . . . 107 HIS HB3 . 16889 1 1138 . 1 1 107 107 HIS HD2 H 1 7.026 0.02 . 1 . . . . 107 HIS HD2 . 16889 1 1139 . 1 1 107 107 HIS CA C 13 55.559 0.05 . 1 . . . . 107 HIS CA . 16889 1 1140 . 1 1 107 107 HIS CB C 13 27.654 0.05 . 1 . . . . 107 HIS CB . 16889 1 1141 . 1 1 107 107 HIS CD2 C 13 118.186 0.05 . 1 . . . . 107 HIS CD2 . 16889 1 1142 . 1 1 107 107 HIS N N 15 116.687 0.05 . 1 . . . . 107 HIS N . 16889 1 1143 . 1 1 108 108 LEU H H 1 8.032 0.02 . 1 . . . . 108 LEU H . 16889 1 1144 . 1 1 108 108 LEU HA H 1 4.123 0.02 . 1 . . . . 108 LEU HA . 16889 1 1145 . 1 1 108 108 LEU HB2 H 1 1.610 0.02 . 2 . . . . 108 LEU HB2 . 16889 1 1146 . 1 1 108 108 LEU HB3 H 1 1.440 0.02 . 2 . . . . 108 LEU HB3 . 16889 1 1147 . 1 1 108 108 LEU HD11 H 1 0.750 0.02 . 1 . . . . 108 LEU HD1 . 16889 1 1148 . 1 1 108 108 LEU HD12 H 1 0.750 0.02 . 1 . . . . 108 LEU HD1 . 16889 1 1149 . 1 1 108 108 LEU HD13 H 1 0.750 0.02 . 1 . . . . 108 LEU HD1 . 16889 1 1150 . 1 1 108 108 LEU HD21 H 1 0.654 0.02 . 1 . . . . 108 LEU HD2 . 16889 1 1151 . 1 1 108 108 LEU HD22 H 1 0.654 0.02 . 1 . . . . 108 LEU HD2 . 16889 1 1152 . 1 1 108 108 LEU HD23 H 1 0.654 0.02 . 1 . . . . 108 LEU HD2 . 16889 1 1153 . 1 1 108 108 LEU HG H 1 1.571 0.02 . 1 . . . . 108 LEU HG . 16889 1 1154 . 1 1 108 108 LEU CA C 13 53.738 0.05 . 1 . . . . 108 LEU CA . 16889 1 1155 . 1 1 108 108 LEU CB C 13 38.858 0.05 . 1 . . . . 108 LEU CB . 16889 1 1156 . 1 1 108 108 LEU CD1 C 13 22.759 0.05 . 2 . . . . 108 LEU CD1 . 16889 1 1157 . 1 1 108 108 LEU CD2 C 13 19.557 0.05 . 2 . . . . 108 LEU CD2 . 16889 1 1158 . 1 1 108 108 LEU CG C 13 24.008 0.05 . 1 . . . . 108 LEU CG . 16889 1 1159 . 1 1 108 108 LEU N N 15 119.500 0.05 . 1 . . . . 108 LEU N . 16889 1 1160 . 1 1 109 109 VAL H H 1 7.663 0.02 . 1 . . . . 109 VAL H . 16889 1 1161 . 1 1 109 109 VAL HA H 1 3.950 0.02 . 1 . . . . 109 VAL HA . 16889 1 1162 . 1 1 109 109 VAL HB H 1 2.024 0.02 . 1 . . . . 109 VAL HB . 16889 1 1163 . 1 1 109 109 VAL HG11 H 1 0.854 0.02 . 1 . . . . 109 VAL HG1 . 16889 1 1164 . 1 1 109 109 VAL HG12 H 1 0.854 0.02 . 1 . . . . 109 VAL HG1 . 16889 1 1165 . 1 1 109 109 VAL HG13 H 1 0.854 0.02 . 1 . . . . 109 VAL HG1 . 16889 1 1166 . 1 1 109 109 VAL HG21 H 1 0.864 0.02 . 1 . . . . 109 VAL HG2 . 16889 1 1167 . 1 1 109 109 VAL HG22 H 1 0.864 0.02 . 1 . . . . 109 VAL HG2 . 16889 1 1168 . 1 1 109 109 VAL HG23 H 1 0.864 0.02 . 1 . . . . 109 VAL HG2 . 16889 1 1169 . 1 1 109 109 VAL CA C 13 60.698 0.05 . 1 . . . . 109 VAL CA . 16889 1 1170 . 1 1 109 109 VAL CB C 13 29.742 0.05 . 1 . . . . 109 VAL CB . 16889 1 1171 . 1 1 109 109 VAL CG1 C 13 18.309 0.05 . 2 . . . . 109 VAL CG1 . 16889 1 1172 . 1 1 109 109 VAL CG2 C 13 18.328 0.05 . 2 . . . . 109 VAL CG2 . 16889 1 1173 . 1 1 109 109 VAL N N 15 117.625 0.05 . 1 . . . . 109 VAL N . 16889 1 1174 . 1 1 110 110 ALA H H 1 7.869 0.02 . 1 . . . . 110 ALA H . 16889 1 1175 . 1 1 110 110 ALA HA H 1 4.250 0.02 . 1 . . . . 110 ALA HA . 16889 1 1176 . 1 1 110 110 ALA HB1 H 1 1.407 0.02 . 1 . . . . 110 ALA HB1 . 16889 1 1177 . 1 1 110 110 ALA HB2 H 1 1.407 0.02 . 1 . . . . 110 ALA HB1 . 16889 1 1178 . 1 1 110 110 ALA HB3 H 1 1.407 0.02 . 1 . . . . 110 ALA HB1 . 16889 1 1179 . 1 1 110 110 ALA CA C 13 50.192 0.05 . 1 . . . . 110 ALA CA . 16889 1 1180 . 1 1 110 110 ALA CB C 13 16.377 0.05 . 1 . . . . 110 ALA CB . 16889 1 1181 . 1 1 110 110 ALA N N 15 124.812 0.05 . 1 . . . . 110 ALA N . 16889 1 1182 . 1 1 111 111 GLU H H 1 8.149 0.02 . 1 . . . . 111 GLU H . 16889 1 1183 . 1 1 111 111 GLU HA H 1 4.343 0.02 . 1 . . . . 111 GLU HA . 16889 1 1184 . 1 1 111 111 GLU HB2 H 1 2.004 0.02 . 2 . . . . 111 GLU HB2 . 16889 1 1185 . 1 1 111 111 GLU HB3 H 1 1.889 0.02 . 2 . . . . 111 GLU HB3 . 16889 1 1186 . 1 1 111 111 GLU HG2 H 1 2.211 0.02 . 2 . . . . 111 GLU HG2 . 16889 1 1187 . 1 1 111 111 GLU CA C 13 54.389 0.05 . 1 . . . . 111 GLU CA . 16889 1 1188 . 1 1 111 111 GLU CB C 13 27.634 0.05 . 1 . . . . 111 GLU CB . 16889 1 1189 . 1 1 111 111 GLU CG C 13 33.697 0.05 . 1 . . . . 111 GLU CG . 16889 1 1190 . 1 1 111 111 GLU N N 15 118.875 0.05 . 1 . . . . 111 GLU N . 16889 1 1191 . 1 1 112 112 THR H H 1 8.017 0.02 . 1 . . . . 112 THR H . 16889 1 1192 . 1 1 112 112 THR HA H 1 4.335 0.02 . 1 . . . . 112 THR HA . 16889 1 1193 . 1 1 112 112 THR HB H 1 4.245 0.02 . 1 . . . . 112 THR HB . 16889 1 1194 . 1 1 112 112 THR HG21 H 1 1.215 0.02 . 1 . . . . 112 THR HG2 . 16889 1 1195 . 1 1 112 112 THR HG22 H 1 1.215 0.02 . 1 . . . . 112 THR HG2 . 16889 1 1196 . 1 1 112 112 THR HG23 H 1 1.215 0.02 . 1 . . . . 112 THR HG2 . 16889 1 1197 . 1 1 112 112 THR CA C 13 59.555 0.05 . 1 . . . . 112 THR CA . 16889 1 1198 . 1 1 112 112 THR CB C 13 67.193 0.05 . 1 . . . . 112 THR CB . 16889 1 1199 . 1 1 112 112 THR CG2 C 13 18.989 0.05 . 1 . . . . 112 THR CG2 . 16889 1 1200 . 1 1 112 112 THR N N 15 113.562 0.05 . 1 . . . . 112 THR N . 16889 1 1201 . 1 1 113 113 GLY H H 1 8.356 0.02 . 1 . . . . 113 GLY H . 16889 1 1202 . 1 1 113 113 GLY HA2 H 1 4.025 0.02 . 2 . . . . 113 GLY HA2 . 16889 1 1203 . 1 1 113 113 GLY HA3 H 1 4.003 0.02 . 2 . . . . 113 GLY HA3 . 16889 1 1204 . 1 1 113 113 GLY CA C 13 43.057 0.05 . 1 . . . . 113 GLY CA . 16889 1 1205 . 1 1 113 113 GLY N N 15 110.750 0.05 . 1 . . . . 113 GLY N . 16889 1 1206 . 1 1 114 114 THR H H 1 7.943 0.02 . 1 . . . . 114 THR H . 16889 1 1207 . 1 1 114 114 THR HA H 1 4.259 0.02 . 1 . . . . 114 THR HA . 16889 1 1208 . 1 1 114 114 THR HB H 1 4.262 0.02 . 1 . . . . 114 THR HB . 16889 1 1209 . 1 1 114 114 THR HG21 H 1 1.210 0.02 . 1 . . . . 114 THR HG2 . 16889 1 1210 . 1 1 114 114 THR HG22 H 1 1.210 0.02 . 1 . . . . 114 THR HG2 . 16889 1 1211 . 1 1 114 114 THR HG23 H 1 1.210 0.02 . 1 . . . . 114 THR HG2 . 16889 1 1212 . 1 1 114 114 THR CA C 13 59.178 0.05 . 1 . . . . 114 THR CA . 16889 1 1213 . 1 1 114 114 THR CB C 13 67.083 0.05 . 1 . . . . 114 THR CB . 16889 1 1214 . 1 1 114 114 THR CG2 C 13 18.905 0.05 . 1 . . . . 114 THR CG2 . 16889 1 1215 . 1 1 114 114 THR N N 15 113.250 0.05 . 1 . . . . 114 THR N . 16889 1 1216 . 1 1 115 115 ALA H H 1 8.194 0.02 . 1 . . . . 115 ALA H . 16889 1 1217 . 1 1 115 115 ALA HA H 1 4.596 0.02 . 1 . . . . 115 ALA HA . 16889 1 1218 . 1 1 115 115 ALA HB1 H 1 1.284 0.02 . 1 . . . . 115 ALA HB1 . 16889 1 1219 . 1 1 115 115 ALA HB2 H 1 1.284 0.02 . 1 . . . . 115 ALA HB1 . 16889 1 1220 . 1 1 115 115 ALA HB3 H 1 1.284 0.02 . 1 . . . . 115 ALA HB1 . 16889 1 1221 . 1 1 115 115 ALA CA C 13 47.746 0.05 . 1 . . . . 115 ALA CA . 16889 1 1222 . 1 1 115 115 ALA CB C 13 15.769 0.05 . 1 . . . . 115 ALA CB . 16889 1 1223 . 1 1 115 115 ALA N N 15 127.312 0.05 . 1 . . . . 115 ALA N . 16889 1 1224 . 1 1 116 116 GLU H H 1 8.259 0.02 . 1 . . . . 116 GLU H . 16889 1 1225 . 1 1 116 116 GLU HA H 1 4.258 0.02 . 1 . . . . 116 GLU HA . 16889 1 1226 . 1 1 116 116 GLU N N 15 119.908 0.05 . 1 . . . . 116 GLU N . 16889 1 1227 . 1 1 117 117 LYS H H 1 8.278 0.02 . 1 . . . . 117 LYS H . 16889 1 1228 . 1 1 117 117 LYS HA H 1 4.196 0.02 . 1 . . . . 117 LYS HA . 16889 1 1229 . 1 1 117 117 LYS HB2 H 1 1.930 0.02 . 2 . . . . 117 LYS HB2 . 16889 1 1230 . 1 1 117 117 LYS CA C 13 54.038 0.05 . 1 . . . . 117 LYS CA . 16889 1 1231 . 1 1 117 117 LYS CB C 13 27.641 0.05 . 1 . . . . 117 LYS CB . 16889 1 1232 . 1 1 117 117 LYS N N 15 119.682 0.05 . 1 . . . . 117 LYS N . 16889 1 1233 . 1 1 118 118 MET H H 1 8.179 0.02 . 1 . . . . 118 MET H . 16889 1 1234 . 1 1 118 118 MET HA H 1 4.224 0.02 . 1 . . . . 118 MET HA . 16889 1 1235 . 1 1 118 118 MET HB2 H 1 1.742 0.02 . 2 . . . . 118 MET HB2 . 16889 1 1236 . 1 1 118 118 MET HB3 H 1 1.596 0.02 . 2 . . . . 118 MET HB3 . 16889 1 1237 . 1 1 118 118 MET CA C 13 53.866 0.05 . 1 . . . . 118 MET CA . 16889 1 1238 . 1 1 118 118 MET CB C 13 30.451 0.05 . 1 . . . . 118 MET CB . 16889 1 1239 . 1 1 118 118 MET N N 15 122.000 0.05 . 1 . . . . 118 MET N . 16889 1 1240 . 1 1 120 120 SER H H 1 8.376 0.02 . 1 . . . . 120 SER H . 16889 1 1241 . 1 1 120 120 SER N N 15 115.611 0.05 . 1 . . . . 120 SER N . 16889 1 1242 . 1 1 121 121 THR H H 1 8.090 0.02 . 1 . . . . 121 THR H . 16889 1 1243 . 1 1 121 121 THR N N 15 114.799 0.05 . 1 . . . . 121 THR N . 16889 1 1244 . 1 1 122 122 SER H H 1 8.214 0.02 . 1 . . . . 122 SER H . 16889 1 1245 . 1 1 122 122 SER N N 15 117.793 0.05 . 1 . . . . 122 SER N . 16889 1 1246 . 1 1 123 123 ARG H H 1 8.222 0.02 . 1 . . . . 123 ARG H . 16889 1 1247 . 1 1 123 123 ARG N N 15 123.498 0.05 . 1 . . . . 123 ARG N . 16889 1 1248 . 1 1 125 125 THR H H 1 8.149 0.02 . 1 . . . . 125 THR H . 16889 1 1249 . 1 1 125 125 THR HG21 H 1 1.179 0.02 . 1 . . . . 125 THR HG2 . 16889 1 1250 . 1 1 125 125 THR HG22 H 1 1.179 0.02 . 1 . . . . 125 THR HG2 . 16889 1 1251 . 1 1 125 125 THR HG23 H 1 1.179 0.02 . 1 . . . . 125 THR HG2 . 16889 1 1252 . 1 1 125 125 THR CG2 C 13 19.021 0.05 . 1 . . . . 125 THR CG2 . 16889 1 1253 . 1 1 125 125 THR N N 15 114.500 0.05 . 1 . . . . 125 THR N . 16889 1 1254 . 1 1 126 126 ALA H H 1 8.238 0.02 . 1 . . . . 126 ALA H . 16889 1 1255 . 1 1 126 126 ALA HA H 1 4.322 0.02 . 1 . . . . 126 ALA HA . 16889 1 1256 . 1 1 126 126 ALA HB1 H 1 1.410 0.02 . 1 . . . . 126 ALA HB1 . 16889 1 1257 . 1 1 126 126 ALA HB2 H 1 1.410 0.02 . 1 . . . . 126 ALA HB1 . 16889 1 1258 . 1 1 126 126 ALA HB3 H 1 1.410 0.02 . 1 . . . . 126 ALA HB1 . 16889 1 1259 . 1 1 126 126 ALA CA C 13 50.224 0.05 . 1 . . . . 126 ALA CA . 16889 1 1260 . 1 1 126 126 ALA CB C 13 16.466 0.05 . 1 . . . . 126 ALA CB . 16889 1 1261 . 1 1 126 126 ALA N N 15 126.062 0.05 . 1 . . . . 126 ALA N . 16889 1 1262 . 1 1 128 128 SER H H 1 8.463 0.02 . 1 . . . . 128 SER H . 16889 1 1263 . 1 1 128 128 SER N N 15 116.006 0.05 . 1 . . . . 128 SER N . 16889 1 1264 . 1 1 129 129 SER H H 1 8.311 0.02 . 1 . . . . 129 SER H . 16889 1 1265 . 1 1 129 129 SER N N 15 117.325 0.05 . 1 . . . . 129 SER N . 16889 1 1266 . 1 1 130 130 GLU H H 1 8.346 0.02 . 1 . . . . 130 GLU H . 16889 1 1267 . 1 1 130 130 GLU N N 15 122.475 0.05 . 1 . . . . 130 GLU N . 16889 1 1268 . 1 1 131 131 LYS H H 1 8.270 0.02 . 1 . . . . 131 LYS H . 16889 1 1269 . 1 1 131 131 LYS N N 15 121.693 0.05 . 1 . . . . 131 LYS N . 16889 1 1270 . 1 1 132 132 GLY H H 1 8.297 0.02 . 1 . . . . 132 GLY H . 16889 1 1271 . 1 1 132 132 GLY HA2 H 1 3.946 0.02 . 2 . . . . 132 GLY HA2 . 16889 1 1272 . 1 1 132 132 GLY HA3 H 1 3.899 0.02 . 2 . . . . 132 GLY HA3 . 16889 1 1273 . 1 1 132 132 GLY CA C 13 42.769 0.05 . 1 . . . . 132 GLY CA . 16889 1 1274 . 1 1 132 132 GLY N N 15 109.500 0.05 . 1 . . . . 132 GLY N . 16889 1 1275 . 1 1 133 133 GLY H H 1 8.195 0.02 . 1 . . . . 133 GLY H . 16889 1 1276 . 1 1 133 133 GLY N N 15 108.095 0.05 . 1 . . . . 133 GLY N . 16889 1 1277 . 1 1 135 135 TYR H H 1 8.000 0.02 . 1 . . . . 135 TYR H . 16889 1 1278 . 1 1 135 135 TYR N N 15 120.152 0.05 . 1 . . . . 135 TYR N . 16889 1 1279 . 2 2 1 1 PBU H1 H 1 3.991 0.02 . . . . . . . PBU H1 . 16889 1 1280 . 2 2 1 1 PBU H1'1 H 1 4.277 0.02 . . . . . . . PBU H1'1 . 16889 1 1281 . 2 2 1 1 PBU H1'2 H 1 4.394 0.02 . . . . . . . PBU H1'2 . 16889 1 1282 . 2 2 1 1 PBU H2 H 1 4.220 0.02 . . . . . . . PBU H2 . 16889 1 1283 . 2 2 1 1 PBU H2' H 1 5.216 0.02 . . . . . . . PBU H2' . 16889 1 1284 . 2 2 1 1 PBU H3 H 1 3.661 0.02 . . . . . . . PBU H3 . 16889 1 1285 . 2 2 1 1 PBU H3'1 H 1 4.089 0.02 . . . . . . . PBU H3'1 . 16889 1 1286 . 2 2 1 1 PBU H3'2 H 1 4.114 0.02 . . . . . . . PBU H3'2 . 16889 1 1287 . 2 2 1 1 PBU H4 H 1 4.322 0.02 . . . . . . . PBU H4 . 16889 1 1288 . 2 2 1 1 PBU H5 H 1 4.044 0.02 . . . . . . . PBU H5 . 16889 1 1289 . 2 2 1 1 PBU H6 H 1 3.920 0.02 . . . . . . . PBU H6 . 16889 1 1290 . 2 2 1 1 PBU H11 H 1 0.865 0.02 . . . . . . . PBU H11 . 16889 1 1291 . 2 2 1 1 PBU H12 H 1 0.865 0.02 . . . . . . . PBU H12 . 16889 1 1292 . 2 2 1 1 PBU H13 H 1 0.865 0.02 . . . . . . . PBU H13 . 16889 1 1293 . 2 2 1 1 PBU H81 H 1 2.349 0.02 . . . . . . . PBU H81 . 16889 1 1294 . 2 2 1 1 PBU H82 H 1 2.349 0.02 . . . . . . . PBU H82 . 16889 1 1295 . 2 2 1 1 PBU H91 H 1 1.565 0.02 . . . . . . . PBU H91 . 16889 1 1296 . 2 2 1 1 PBU H92 H 1 1.565 0.02 . . . . . . . PBU H92 . 16889 1 1297 . 2 2 1 1 PBU H121 H 1 2.386 0.02 . . . . . . . PBU H121 . 16889 1 1298 . 2 2 1 1 PBU H122 H 1 2.386 0.02 . . . . . . . PBU H122 . 16889 1 1299 . 2 2 1 1 PBU H131 H 1 1.582 0.02 . . . . . . . PBU H131 . 16889 1 1300 . 2 2 1 1 PBU H132 H 1 1.582 0.02 . . . . . . . PBU H132 . 16889 1 1301 . 2 2 1 1 PBU H141 H 1 0.851 0.02 . . . . . . . PBU H141 . 16889 1 1302 . 2 2 1 1 PBU H142 H 1 0.851 0.02 . . . . . . . PBU H142 . 16889 1 1303 . 2 2 1 1 PBU H143 H 1 0.851 0.02 . . . . . . . PBU H143 . 16889 1 1304 . 2 2 1 1 PBU C1 C 13 75.792 0.05 . . . . . . . PBU C1 . 16889 1 1305 . 2 2 1 1 PBU C1' C 13 62.945 0.05 . . . . . . . PBU C1' . 16889 1 1306 . 2 2 1 1 PBU C2 C 13 70.759 0.05 . . . . . . . PBU C2 . 16889 1 1307 . 2 2 1 1 PBU C2' C 13 70.889 0.05 . . . . . . . PBU C2' . 16889 1 1308 . 2 2 1 1 PBU C3 C 13 70.330 0.05 . . . . . . . PBU C3 . 16889 1 1309 . 2 2 1 1 PBU C3' C 13 63.872 0.05 . . . . . . . PBU C3' . 16889 1 1310 . 2 2 1 1 PBU C4 C 13 76.887 0.05 . . . . . . . PBU C4 . 16889 1 1311 . 2 2 1 1 PBU C5 C 13 78.318 0.05 . . . . . . . PBU C5 . 16889 1 1312 . 2 2 1 1 PBU C6 C 13 70.932 0.05 . . . . . . . PBU C6 . 16889 1 1313 . 2 2 1 1 PBU C7 C 13 176.135 0.05 . . . . . . . PBU C7 . 16889 1 1314 . 2 2 1 1 PBU C8 C 13 34.199 0.05 . . . . . . . PBU C8 . 16889 1 1315 . 2 2 1 1 PBU C9 C 13 18.002 0.05 . . . . . . . PBU C9 . 16889 1 1316 . 2 2 1 1 PBU C10 C 13 13.540 0.05 . . . . . . . PBU C10 . 16889 1 1317 . 2 2 1 1 PBU C12 C 13 33.990 0.05 . . . . . . . PBU C12 . 16889 1 1318 . 2 2 1 1 PBU C13 C 13 18.002 0.05 . . . . . . . PBU C13 . 16889 1 1319 . 2 2 1 1 PBU C14 C 13 13.462 0.05 . . . . . . . PBU C14 . 16889 1 stop_ save_