data_5912 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5912 _Entry.Title ; The 3D solution structure of the C-terminal region of Ku86 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-08-20 _Entry.Accession_date 2003-08-20 _Entry.Last_release_date 2004-05-15 _Entry.Original_release_date 2004-05-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 R. Harris . . . 5912 2 D. Esposito . . . 5912 3 A. Sankar . . . 5912 4 J. Maman . D. . 5912 5 J. Hinks . A. . 5912 6 L. Pearl . H. . 5912 7 P. Driscoll . C. . 5912 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5912 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 847 5912 '13C chemical shifts' 535 5912 '15N chemical shifts' 121 5912 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-05-15 2003-08-20 original author . 5912 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5912 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14672664 _Citation.Full_citation . _Citation.Title 'The 3D solution structure of the C-terminal region of Ku86 (Ku86CTR)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 335 _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 573 _Citation.Page_last 582 _Citation.Year 2004 _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 R. Harris . . . 5912 1 2 D. Esposito . . . 5912 1 3 A. Sankar . . . 5912 1 4 J. Maman . D. . 5912 1 5 J. Hinks . A. . 5912 1 6 L. Pearl . H. . 5912 1 7 P. Driscoll . C. . 5912 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Ku 5912 1 'DNA repair' 5912 1 'protein structure' 5912 1 'NMR spectroscopy' 5912 1 DNA-PK 5912 1 Ku86 5912 1 Ku80 5912 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_helicase_II _Assembly.Sf_category assembly _Assembly.Sf_framecode system_helicase_II _Assembly.Entry_ID 5912 _Assembly.ID 1 _Assembly.Name 'ATP-dependent DNA helicase II, 80 kDa subunit' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5912 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SH2-SH3 adapter protein drk' 1 $helicase_II . . . native . . . . . 5912 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1Q2Z . . . . . . 5912 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ATP-dependent DNA helicase II, 80 kDa subunit' system 5912 1 'ATP-dependent DNA helicase II, 80 kDa subunit' abbreviation 5912 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_helicase_II _Entity.Sf_category entity _Entity.Sf_framecode helicase_II _Entity.Entry_ID 5912 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C-terminal region of Ku86' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPVNPAENFRVLVKQKKASF EEASNQLINHIEQFLDTNET PYFMKSIDCIRAFREEAIKF SEEQRFNNFLKALQEKVEIK QLNHFWEIVVQDGITLITKE EASGSSVTAEEAKKFLAPKD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5221 . Ku86CTR . . . . . 100.00 184 99.17 99.17 1.92e-79 . . . . 5912 1 2 no BMRB 5907 . Ku80_CTD . . . . . 100.00 152 99.17 99.17 1.30e-79 . . . . 5912 1 3 no PDB 1Q2Z . "The 3d Solution Structure Of The C-Terminal Region Of Ku86" . . . . . 100.00 120 100.00 100.00 2.94e-80 . . . . 5912 1 4 no PDB 1RW2 . "Three-Dimensional Structure Of Ku80 Ctd" . . . . . 100.00 152 99.17 99.17 1.30e-79 . . . . 5912 1 5 no DBJ BAD96323 . "ATP-dependent DNA helicase II variant [Homo sapiens]" . . . . . 100.00 732 99.17 99.17 7.62e-73 . . . . 5912 1 6 no DBJ BAF83429 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 732 99.17 99.17 7.78e-73 . . . . 5912 1 7 no DBJ BAH24115 . "X-ray repair complementing defective repair in Chinese hamster cells 5 [synthetic construct]" . . . . . 100.00 732 99.17 99.17 7.86e-73 . . . . 5912 1 8 no EMBL CAA40736 . "nuclear factor IV [Homo sapiens]" . . . . . 100.00 628 99.17 99.17 1.56e-73 . . . . 5912 1 9 no GB AAA36154 . "Ku (p70/p80) subunit [Homo sapiens]" . . . . . 100.00 732 99.17 99.17 7.86e-73 . . . . 5912 1 10 no GB AAA59475 . "Ku antigen [Homo sapiens]" . . . . . 100.00 732 99.17 99.17 7.86e-73 . . . . 5912 1 11 no GB AAH19027 . "X-ray repair complementing defective repair in Chinese hamster cells 5 (double-strand-break rejoining) [Homo sapiens]" . . . . . 100.00 732 99.17 99.17 7.86e-73 . . . . 5912 1 12 no GB AAH95442 . "X-ray repair complementing defective repair in Chinese hamster cells 5 (double-strand-break rejoining) [Homo sapiens]" . . . . . 100.00 732 99.17 99.17 7.86e-73 . . . . 5912 1 13 no GB AAR11279 . "Ku autoantigen [Pan troglodytes]" . . . . . 95.83 138 99.13 100.00 1.26e-74 . . . . 5912 1 14 no REF NP_066964 . "X-ray repair cross-complementing protein 5 [Homo sapiens]" . . . . . 100.00 732 99.17 99.17 7.86e-73 . . . . 5912 1 15 no REF XP_001151873 . "PREDICTED: X-ray repair cross-complementing protein 5 [Pan troglodytes]" . . . . . 100.00 827 98.33 99.17 8.56e-72 . . . . 5912 1 16 no REF XP_003254095 . "PREDICTED: X-ray repair cross-complementing protein 5 [Nomascus leucogenys]" . . . . . 100.00 732 97.50 99.17 5.94e-72 . . . . 5912 1 17 no REF XP_004033222 . "PREDICTED: X-ray repair cross-complementing protein 5 [Gorilla gorilla gorilla]" . . . . . 100.00 732 98.33 99.17 2.96e-72 . . . . 5912 1 18 no REF XP_005246893 . "PREDICTED: X-ray repair cross-complementing protein 5 isoform X1 [Homo sapiens]" . . . . . 100.00 827 99.17 99.17 2.26e-72 . . . . 5912 1 19 no SP P13010 . "RecName: Full=X-ray repair cross-complementing protein 5; AltName: Full=86 kDa subunit of Ku antigen; AltName: Full=ATP-depende" . . . . . 100.00 732 99.17 99.17 7.86e-73 . . . . 5912 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C-terminal region of Ku86' common 5912 1 ku86ctr abbreviation 5912 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 . GLY . 5912 1 2 . PRO . 5912 1 3 . VAL . 5912 1 4 . ASN . 5912 1 5 . PRO . 5912 1 6 . ALA . 5912 1 7 . GLU . 5912 1 8 . ASN . 5912 1 9 . PHE . 5912 1 10 . ARG . 5912 1 11 . VAL . 5912 1 12 . LEU . 5912 1 13 . VAL . 5912 1 14 . LYS . 5912 1 15 . GLN . 5912 1 16 . LYS . 5912 1 17 . LYS . 5912 1 18 . ALA . 5912 1 19 . SER . 5912 1 20 . PHE . 5912 1 21 . GLU . 5912 1 22 . GLU . 5912 1 23 . ALA . 5912 1 24 . SER . 5912 1 25 . ASN . 5912 1 26 . GLN . 5912 1 27 . LEU . 5912 1 28 . ILE . 5912 1 29 . ASN . 5912 1 30 . HIS . 5912 1 31 . ILE . 5912 1 32 . GLU . 5912 1 33 . GLN . 5912 1 34 . PHE . 5912 1 35 . LEU . 5912 1 36 . ASP . 5912 1 37 . THR . 5912 1 38 . ASN . 5912 1 39 . GLU . 5912 1 40 . THR . 5912 1 41 . PRO . 5912 1 42 . TYR . 5912 1 43 . PHE . 5912 1 44 . MET . 5912 1 45 . LYS . 5912 1 46 . SER . 5912 1 47 . ILE . 5912 1 48 . ASP . 5912 1 49 . CYS . 5912 1 50 . ILE . 5912 1 51 . ARG . 5912 1 52 . ALA . 5912 1 53 . PHE . 5912 1 54 . ARG . 5912 1 55 . GLU . 5912 1 56 . GLU . 5912 1 57 . ALA . 5912 1 58 . ILE . 5912 1 59 . LYS . 5912 1 60 . PHE . 5912 1 61 . SER . 5912 1 62 . GLU . 5912 1 63 . GLU . 5912 1 64 . GLN . 5912 1 65 . ARG . 5912 1 66 . PHE . 5912 1 67 . ASN . 5912 1 68 . ASN . 5912 1 69 . PHE . 5912 1 70 . LEU . 5912 1 71 . LYS . 5912 1 72 . ALA . 5912 1 73 . LEU . 5912 1 74 . GLN . 5912 1 75 . GLU . 5912 1 76 . LYS . 5912 1 77 . VAL . 5912 1 78 . GLU . 5912 1 79 . ILE . 5912 1 80 . LYS . 5912 1 81 . GLN . 5912 1 82 . LEU . 5912 1 83 . ASN . 5912 1 84 . HIS . 5912 1 85 . PHE . 5912 1 86 . TRP . 5912 1 87 . GLU . 5912 1 88 . ILE . 5912 1 89 . VAL . 5912 1 90 . VAL . 5912 1 91 . GLN . 5912 1 92 . ASP . 5912 1 93 . GLY . 5912 1 94 . ILE . 5912 1 95 . THR . 5912 1 96 . LEU . 5912 1 97 . ILE . 5912 1 98 . THR . 5912 1 99 . LYS . 5912 1 100 . GLU . 5912 1 101 . GLU . 5912 1 102 . ALA . 5912 1 103 . SER . 5912 1 104 . GLY . 5912 1 105 . SER . 5912 1 106 . SER . 5912 1 107 . VAL . 5912 1 108 . THR . 5912 1 109 . ALA . 5912 1 110 . GLU . 5912 1 111 . GLU . 5912 1 112 . ALA . 5912 1 113 . LYS . 5912 1 114 . LYS . 5912 1 115 . PHE . 5912 1 116 . LEU . 5912 1 117 . ALA . 5912 1 118 . PRO . 5912 1 119 . LYS . 5912 1 120 . ASP . 5912 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5912 1 . PRO 2 2 5912 1 . VAL 3 3 5912 1 . ASN 4 4 5912 1 . PRO 5 5 5912 1 . ALA 6 6 5912 1 . GLU 7 7 5912 1 . ASN 8 8 5912 1 . PHE 9 9 5912 1 . ARG 10 10 5912 1 . VAL 11 11 5912 1 . LEU 12 12 5912 1 . VAL 13 13 5912 1 . LYS 14 14 5912 1 . GLN 15 15 5912 1 . LYS 16 16 5912 1 . LYS 17 17 5912 1 . ALA 18 18 5912 1 . SER 19 19 5912 1 . PHE 20 20 5912 1 . GLU 21 21 5912 1 . GLU 22 22 5912 1 . ALA 23 23 5912 1 . SER 24 24 5912 1 . ASN 25 25 5912 1 . GLN 26 26 5912 1 . LEU 27 27 5912 1 . ILE 28 28 5912 1 . ASN 29 29 5912 1 . HIS 30 30 5912 1 . ILE 31 31 5912 1 . GLU 32 32 5912 1 . GLN 33 33 5912 1 . PHE 34 34 5912 1 . LEU 35 35 5912 1 . ASP 36 36 5912 1 . THR 37 37 5912 1 . ASN 38 38 5912 1 . GLU 39 39 5912 1 . THR 40 40 5912 1 . PRO 41 41 5912 1 . TYR 42 42 5912 1 . PHE 43 43 5912 1 . MET 44 44 5912 1 . LYS 45 45 5912 1 . SER 46 46 5912 1 . ILE 47 47 5912 1 . ASP 48 48 5912 1 . CYS 49 49 5912 1 . ILE 50 50 5912 1 . ARG 51 51 5912 1 . ALA 52 52 5912 1 . PHE 53 53 5912 1 . ARG 54 54 5912 1 . GLU 55 55 5912 1 . GLU 56 56 5912 1 . ALA 57 57 5912 1 . ILE 58 58 5912 1 . LYS 59 59 5912 1 . PHE 60 60 5912 1 . SER 61 61 5912 1 . GLU 62 62 5912 1 . GLU 63 63 5912 1 . GLN 64 64 5912 1 . ARG 65 65 5912 1 . PHE 66 66 5912 1 . ASN 67 67 5912 1 . ASN 68 68 5912 1 . PHE 69 69 5912 1 . LEU 70 70 5912 1 . LYS 71 71 5912 1 . ALA 72 72 5912 1 . LEU 73 73 5912 1 . GLN 74 74 5912 1 . GLU 75 75 5912 1 . LYS 76 76 5912 1 . VAL 77 77 5912 1 . GLU 78 78 5912 1 . ILE 79 79 5912 1 . LYS 80 80 5912 1 . GLN 81 81 5912 1 . LEU 82 82 5912 1 . ASN 83 83 5912 1 . HIS 84 84 5912 1 . PHE 85 85 5912 1 . TRP 86 86 5912 1 . GLU 87 87 5912 1 . ILE 88 88 5912 1 . VAL 89 89 5912 1 . VAL 90 90 5912 1 . GLN 91 91 5912 1 . ASP 92 92 5912 1 . GLY 93 93 5912 1 . ILE 94 94 5912 1 . THR 95 95 5912 1 . LEU 96 96 5912 1 . ILE 97 97 5912 1 . THR 98 98 5912 1 . LYS 99 99 5912 1 . GLU 100 100 5912 1 . GLU 101 101 5912 1 . ALA 102 102 5912 1 . SER 103 103 5912 1 . GLY 104 104 5912 1 . SER 105 105 5912 1 . SER 106 106 5912 1 . VAL 107 107 5912 1 . THR 108 108 5912 1 . ALA 109 109 5912 1 . GLU 110 110 5912 1 . GLU 111 111 5912 1 . ALA 112 112 5912 1 . LYS 113 113 5912 1 . LYS 114 114 5912 1 . PHE 115 115 5912 1 . LEU 116 116 5912 1 . ALA 117 117 5912 1 . PRO 118 118 5912 1 . LYS 119 119 5912 1 . ASP 120 120 5912 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5912 _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 $helicase_II . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5912 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 5912 _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 $helicase_II . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21START . . . . . . . . . . . . . . . PRSET-B . . . . . . 5912 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5912 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-terminal region of Ku86' [U-15N] . . 1 $helicase_II . . 1 . . mM . . . . 5912 1 2 Phosphate . . . . . . . 20 . . mM . . . . 5912 1 3 NaCl . . . . . . . 100 . . mM . . . . 5912 1 4 NaN3 . . . . . . . 1 . . mM . . . . 5912 1 5 H2O . . . . . . . 90 . . % . . . . 5912 1 6 D2O . . . . . . . 10 . . % . . . . 5912 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5912 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-terminal region of Ku86' '[U-13C; U-15N]' . . 1 $helicase_II . . 1 . . mM . . . . 5912 2 2 Phosphate . . . . . . . 20 . . mM . . . . 5912 2 3 NaCl . . . . . . . 100 . . mM . . . . 5912 2 4 NaN3 . . . . . . . 1 . . mM . . . . 5912 2 5 H2O . . . . . . . 90 . . % . . . . 5912 2 6 D2O . . . . . . . 10 . . % . . . . 5912 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5912 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-terminal region of Ku86' [U-15N] . . 1 $helicase_II . . 1 . . mM . . . . 5912 3 2 Phosphate . . . . . . . 20 . . mM . . . . 5912 3 3 NaCl . . . . . . . 100 . . mM . . . . 5912 3 4 NaN3 . . . . . . . 1 . . mM . . . . 5912 3 5 'n-octyl-penta(ethylene glycol):octanol 0.96:1' . . . . . . . 5 . . % . . . . 5912 3 6 H2O . . . . . . . 90 . . % . . . . 5912 3 7 D2O . . . . . . . 10 . . % . . . . 5912 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5912 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . n/a 5912 1 temperature 298 . K 5912 1 'ionic strength' 100 . mM 5912 1 pressure 1 . atm 5912 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 5912 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . n/a 5912 2 temperature 293 . K 5912 2 'ionic strength' 100 . mM 5912 2 pressure 1 . atm 5912 2 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 5912 _Software.ID 1 _Software.Name ANSIG _Software.Version 1.0.3 _Software.Details 'Kraulis, P.J.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5912 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5912 _Software.ID 2 _Software.Name NMRPipe _Software.Version 1 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5912 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 5912 _Software.ID 3 _Software.Name CNS _Software.Version 1.1 _Software.Details 'Brunger, A.T.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5912 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5912 _Software.ID 4 _Software.Name VNMR _Software.Version 6.1B _Software.Details varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5912 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5912 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5912 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 800 . . . 5912 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 5912 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5912 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5912 1 3 IPAP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5912 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5912 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5912 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5912 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name IPAP _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5912 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5912 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5912 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5912 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5912 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5912 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 GLY N N 15 106.124 0.05 . 1 . . . . . . . . 5912 1 2 . 1 1 1 1 GLY H H 1 7.933 0.005 . 1 . . . . . . . . 5912 1 3 . 1 1 1 1 GLY CA C 13 43.484 0.4 . 1 . . . . . . . . 5912 1 4 . 1 1 1 1 GLY HA2 H 1 3.949 0.02 . 1 . . . . . . . . 5912 1 5 . 1 1 2 2 PRO CA C 13 62.794 0.4 . 1 . . . . . . . . 5912 1 6 . 1 1 2 2 PRO HA H 1 4.516 0.02 . 1 . . . . . . . . 5912 1 7 . 1 1 2 2 PRO C C 13 177.11 0.05 . 1 . . . . . . . . 5912 1 8 . 1 1 2 2 PRO CB C 13 32.349 0.4 . 1 . . . . . . . . 5912 1 9 . 1 1 2 2 PRO HB2 H 1 1.852 0.02 . 2 . . . . . . . . 5912 1 10 . 1 1 2 2 PRO HB3 H 1 2.283 0.02 . 2 . . . . . . . . 5912 1 11 . 1 1 2 2 PRO CG C 13 27.095 0.4 . 1 . . . . . . . . 5912 1 12 . 1 1 2 2 PRO CD C 13 49.635 0.4 . 1 . . . . . . . . 5912 1 13 . 1 1 2 2 PRO HG2 H 1 1.96 0.02 . 1 . . . . . . . . 5912 1 14 . 1 1 2 2 PRO HG3 H 1 1.96 0.02 . 1 . . . . . . . . 5912 1 15 . 1 1 2 2 PRO HD2 H 1 3.549 0.02 . 1 . . . . . . . . 5912 1 16 . 1 1 2 2 PRO HD3 H 1 3.549 0.02 . 1 . . . . . . . . 5912 1 17 . 1 1 3 3 VAL N N 15 121.149 0.05 . 1 . . . . . . . . 5912 1 18 . 1 1 3 3 VAL H H 1 8.389 0.005 . 1 . . . . . . . . 5912 1 19 . 1 1 3 3 VAL CA C 13 62.968 0.4 . 1 . . . . . . . . 5912 1 20 . 1 1 3 3 VAL HA H 1 4.056 0.02 . 1 . . . . . . . . 5912 1 21 . 1 1 3 3 VAL C C 13 175.926 0.05 . 1 . . . . . . . . 5912 1 22 . 1 1 3 3 VAL CB C 13 32.653 0.4 . 1 . . . . . . . . 5912 1 23 . 1 1 3 3 VAL HB H 1 2.027 0.02 . 1 . . . . . . . . 5912 1 24 . 1 1 3 3 VAL CG1 C 13 20.994 0.4 . 2 . . . . . . . . 5912 1 25 . 1 1 3 3 VAL HG11 H 1 0.905 0.02 . 2 . . . . . . . . 5912 1 26 . 1 1 3 3 VAL HG12 H 1 0.905 0.02 . 2 . . . . . . . . 5912 1 27 . 1 1 3 3 VAL HG13 H 1 0.905 0.02 . 2 . . . . . . . . 5912 1 28 . 1 1 3 3 VAL CG2 C 13 20.959 0.4 . 2 . . . . . . . . 5912 1 29 . 1 1 3 3 VAL HG21 H 1 0.966 0.02 . 2 . . . . . . . . 5912 1 30 . 1 1 3 3 VAL HG22 H 1 0.966 0.02 . 2 . . . . . . . . 5912 1 31 . 1 1 3 3 VAL HG23 H 1 0.966 0.02 . 2 . . . . . . . . 5912 1 32 . 1 1 4 4 ASN N N 15 123.395 0.05 . 1 . . . . . . . . 5912 1 33 . 1 1 4 4 ASN H H 1 8.672 0.005 . 1 . . . . . . . . 5912 1 34 . 1 1 4 4 ASN CA C 13 50.702 0.4 . 1 . . . . . . . . 5912 1 35 . 1 1 4 4 ASN HA H 1 5.033 0.02 . 1 . . . . . . . . 5912 1 36 . 1 1 4 4 ASN C C 13 173.906 0.05 . 1 . . . . . . . . 5912 1 37 . 1 1 4 4 ASN CB C 13 38.811 0.4 . 1 . . . . . . . . 5912 1 38 . 1 1 4 4 ASN HB2 H 1 2.812 0.02 . 2 . . . . . . . . 5912 1 39 . 1 1 4 4 ASN HB3 H 1 3.077 0.02 . 2 . . . . . . . . 5912 1 40 . 1 1 4 4 ASN ND2 N 15 114.13 0.05 . 1 . . . . . . . . 5912 1 41 . 1 1 4 4 ASN HD21 H 1 7.264 0.005 . 2 . . . . . . . . 5912 1 42 . 1 1 4 4 ASN HD22 H 1 7.793 0.005 . 2 . . . . . . . . 5912 1 43 . 1 1 5 5 PRO CA C 13 65.02 0.4 . 1 . . . . . . . . 5912 1 44 . 1 1 5 5 PRO HA H 1 4.119 0.02 . 1 . . . . . . . . 5912 1 45 . 1 1 5 5 PRO C C 13 178.849 0.05 . 1 . . . . . . . . 5912 1 46 . 1 1 5 5 PRO CB C 13 31.927 0.4 . 1 . . . . . . . . 5912 1 47 . 1 1 5 5 PRO HB2 H 1 1.824 0.02 . 2 . . . . . . . . 5912 1 48 . 1 1 5 5 PRO HB3 H 1 1.9 0.02 . 2 . . . . . . . . 5912 1 49 . 1 1 5 5 PRO CG C 13 27.569 0.4 . 1 . . . . . . . . 5912 1 50 . 1 1 5 5 PRO HG2 H 1 1.506 0.02 . 2 . . . . . . . . 5912 1 51 . 1 1 5 5 PRO HG3 H 1 1.881 0.02 . 2 . . . . . . . . 5912 1 52 . 1 1 5 5 PRO CD C 13 50.605 0.4 . 1 . . . . . . . . 5912 1 53 . 1 1 5 5 PRO HD2 H 1 3.883 0.02 . 2 . . . . . . . . 5912 1 54 . 1 1 5 5 PRO HD3 H 1 3.92 0.02 . 2 . . . . . . . . 5912 1 55 . 1 1 6 6 ALA N N 15 121.461 0.05 . 1 . . . . . . . . 5912 1 56 . 1 1 6 6 ALA H H 1 8.241 0.005 . 1 . . . . . . . . 5912 1 57 . 1 1 6 6 ALA CA C 13 55.942 0.4 . 1 . . . . . . . . 5912 1 58 . 1 1 6 6 ALA HA H 1 4.017 0.02 . 1 . . . . . . . . 5912 1 59 . 1 1 6 6 ALA C C 13 178.692 0.05 . 1 . . . . . . . . 5912 1 60 . 1 1 6 6 ALA CB C 13 18.64 0.4 . 1 . . . . . . . . 5912 1 61 . 1 1 6 6 ALA HB1 H 1 1.566 0.02 . 1 . . . . . . . . 5912 1 62 . 1 1 6 6 ALA HB2 H 1 1.566 0.02 . 1 . . . . . . . . 5912 1 63 . 1 1 6 6 ALA HB3 H 1 1.566 0.02 . 1 . . . . . . . . 5912 1 64 . 1 1 7 7 GLU N N 15 117.163 0.05 . 1 . . . . . . . . 5912 1 65 . 1 1 7 7 GLU H H 1 7.304 0.005 . 1 . . . . . . . . 5912 1 66 . 1 1 7 7 GLU C C 13 179 0.05 . 1 . . . . . . . . 5912 1 67 . 1 1 7 7 GLU CA C 13 58.57 0.4 . 1 . . . . . . . . 5912 1 68 . 1 1 7 7 GLU HA H 1 4.139 0.02 . 1 . . . . . . . . 5912 1 69 . 1 1 7 7 GLU CB C 13 29.657 0.4 . 1 . . . . . . . . 5912 1 70 . 1 1 7 7 GLU CG C 13 35.864 0.4 . 1 . . . . . . . . 5912 1 71 . 1 1 7 7 GLU HB2 H 1 2.027 0.02 . 1 . . . . . . . . 5912 1 72 . 1 1 7 7 GLU HB3 H 1 2.027 0.02 . 1 . . . . . . . . 5912 1 73 . 1 1 7 7 GLU HG2 H 1 2.321 0.02 . 1 . . . . . . . . 5912 1 74 . 1 1 7 7 GLU HG3 H 1 2.321 0.02 . 1 . . . . . . . . 5912 1 75 . 1 1 8 8 ASN N N 15 117.096 0.05 . 1 . . . . . . . . 5912 1 76 . 1 1 8 8 ASN H H 1 8.18 0.005 . 1 . . . . . . . . 5912 1 77 . 1 1 8 8 ASN C C 13 176.815 0.05 . 1 . . . . . . . . 5912 1 78 . 1 1 8 8 ASN CA C 13 55.921 0.4 . 1 . . . . . . . . 5912 1 79 . 1 1 8 8 ASN HA H 1 4.296 0.02 . 1 . . . . . . . . 5912 1 80 . 1 1 8 8 ASN CB C 13 38.879 0.4 . 1 . . . . . . . . 5912 1 81 . 1 1 8 8 ASN ND2 N 15 112.91 0.05 . 1 . . . . . . . . 5912 1 82 . 1 1 8 8 ASN HD21 H 1 6.8 0.02 . 2 . . . . . . . . 5912 1 83 . 1 1 8 8 ASN HD22 H 1 7.749 0.02 . 2 . . . . . . . . 5912 1 84 . 1 1 8 8 ASN HB2 H 1 2.709 0.02 . 1 . . . . . . . . 5912 1 85 . 1 1 8 8 ASN HB3 H 1 2.709 0.02 . 1 . . . . . . . . 5912 1 86 . 1 1 9 9 PHE N N 15 118.502 0.05 . 1 . . . . . . . . 5912 1 87 . 1 1 9 9 PHE H H 1 7.724 0.005 . 1 . . . . . . . . 5912 1 88 . 1 1 9 9 PHE C C 13 175.381 0.05 . 1 . . . . . . . . 5912 1 89 . 1 1 9 9 PHE CA C 13 60.733 0.4 . 1 . . . . . . . . 5912 1 90 . 1 1 9 9 PHE HA H 1 4.227 0.02 . 1 . . . . . . . . 5912 1 91 . 1 1 9 9 PHE CB C 13 39.659 0.4 . 1 . . . . . . . . 5912 1 92 . 1 1 9 9 PHE HB2 H 1 3.225 0.02 . 1 . . . . . . . . 5912 1 93 . 1 1 9 9 PHE HB3 H 1 3.225 0.02 . 1 . . . . . . . . 5912 1 94 . 1 1 9 9 PHE CD2 C 13 132.504 0.05 . 1 . . . . . . . . 5912 1 95 . 1 1 9 9 PHE HD2 H 1 6.893 0.005 . 1 . . . . . . . . 5912 1 96 . 1 1 9 9 PHE CE2 C 13 130.422 0.05 . 1 . . . . . . . . 5912 1 97 . 1 1 9 9 PHE HE2 H 1 6.607 0.005 . 1 . . . . . . . . 5912 1 98 . 1 1 9 9 PHE CZ C 13 128.803 0.05 . 1 . . . . . . . . 5912 1 99 . 1 1 9 9 PHE HZ H 1 6.808 0.005 . 1 . . . . . . . . 5912 1 100 . 1 1 10 10 ARG N N 15 116.715 0.05 . 1 . . . . . . . . 5912 1 101 . 1 1 10 10 ARG H H 1 7.573 0.005 . 1 . . . . . . . . 5912 1 102 . 1 1 10 10 ARG C C 13 178.941 0.05 . 1 . . . . . . . . 5912 1 103 . 1 1 10 10 ARG CA C 13 60.357 0.4 . 1 . . . . . . . . 5912 1 104 . 1 1 10 10 ARG HA H 1 3.376 0.02 . 1 . . . . . . . . 5912 1 105 . 1 1 10 10 ARG CB C 13 30.745 0.4 . 1 . . . . . . . . 5912 1 106 . 1 1 10 10 ARG HB2 H 1 1.738 0.02 . 2 . . . . . . . . 5912 1 107 . 1 1 10 10 ARG HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5912 1 108 . 1 1 10 10 ARG CG C 13 29.57 0.4 . 1 . . . . . . . . 5912 1 109 . 1 1 10 10 ARG HG2 H 1 1.698 0.02 . 2 . . . . . . . . 5912 1 110 . 1 1 10 10 ARG HG3 H 1 2.209 0.02 . 2 . . . . . . . . 5912 1 111 . 1 1 10 10 ARG CD C 13 44.265 0.4 . 1 . . . . . . . . 5912 1 112 . 1 1 10 10 ARG HD2 H 1 3.204 0.02 . 2 . . . . . . . . 5912 1 113 . 1 1 10 10 ARG HD3 H 1 3.322 0.02 . 2 . . . . . . . . 5912 1 114 . 1 1 10 10 ARG HE H 1 7.926 0.02 . 1 . . . . . . . . 5912 1 115 . 1 1 11 11 VAL N N 15 118.025 0.05 . 1 . . . . . . . . 5912 1 116 . 1 1 11 11 VAL H H 1 7.915 0.005 . 1 . . . . . . . . 5912 1 117 . 1 1 11 11 VAL C C 13 178.304 0.05 . 1 . . . . . . . . 5912 1 118 . 1 1 11 11 VAL CA C 13 66.53 0.4 . 1 . . . . . . . . 5912 1 119 . 1 1 11 11 VAL HA H 1 3.575 0.02 . 1 . . . . . . . . 5912 1 120 . 1 1 11 11 VAL CB C 13 31.73 0.4 . 1 . . . . . . . . 5912 1 121 . 1 1 11 11 VAL HB H 1 2.117 0.02 . 1 . . . . . . . . 5912 1 122 . 1 1 11 11 VAL CG1 C 13 21.155 0.4 . 2 . . . . . . . . 5912 1 123 . 1 1 11 11 VAL HG11 H 1 0.858 0.02 . 2 . . . . . . . . 5912 1 124 . 1 1 11 11 VAL HG12 H 1 0.858 0.02 . 2 . . . . . . . . 5912 1 125 . 1 1 11 11 VAL HG13 H 1 0.858 0.02 . 2 . . . . . . . . 5912 1 126 . 1 1 11 11 VAL CG2 C 13 22.934 0.4 . 2 . . . . . . . . 5912 1 127 . 1 1 11 11 VAL HG21 H 1 1.057 0.02 . 2 . . . . . . . . 5912 1 128 . 1 1 11 11 VAL HG22 H 1 1.057 0.02 . 2 . . . . . . . . 5912 1 129 . 1 1 11 11 VAL HG23 H 1 1.057 0.02 . 2 . . . . . . . . 5912 1 130 . 1 1 12 12 LEU N N 15 119.394 0.05 . 1 . . . . . . . . 5912 1 131 . 1 1 12 12 LEU H H 1 8.02 0.005 . 1 . . . . . . . . 5912 1 132 . 1 1 12 12 LEU C C 13 180.353 0.05 . 1 . . . . . . . . 5912 1 133 . 1 1 12 12 LEU CA C 13 58.505 0.4 . 1 . . . . . . . . 5912 1 134 . 1 1 12 12 LEU HA H 1 3.814 0.02 . 1 . . . . . . . . 5912 1 135 . 1 1 12 12 LEU CB C 13 42.514 0.4 . 1 . . . . . . . . 5912 1 136 . 1 1 12 12 LEU HB2 H 1 1.131 0.02 . 2 . . . . . . . . 5912 1 137 . 1 1 12 12 LEU HB3 H 1 1.793 0.02 . 2 . . . . . . . . 5912 1 138 . 1 1 12 12 LEU CG C 13 26.771 0.4 . 1 . . . . . . . . 5912 1 139 . 1 1 12 12 LEU HG H 1 1.753 0.02 . 1 . . . . . . . . 5912 1 140 . 1 1 12 12 LEU CD1 C 13 23.618 0.4 . 2 . . . . . . . . 5912 1 141 . 1 1 12 12 LEU HD11 H 1 0.755 0.02 . 2 . . . . . . . . 5912 1 142 . 1 1 12 12 LEU HD12 H 1 0.755 0.02 . 2 . . . . . . . . 5912 1 143 . 1 1 12 12 LEU HD13 H 1 0.755 0.02 . 2 . . . . . . . . 5912 1 144 . 1 1 12 12 LEU CD2 C 13 25.644 0.4 . 2 . . . . . . . . 5912 1 145 . 1 1 12 12 LEU HD21 H 1 0.812 0.02 . 2 . . . . . . . . 5912 1 146 . 1 1 12 12 LEU HD22 H 1 0.812 0.02 . 2 . . . . . . . . 5912 1 147 . 1 1 12 12 LEU HD23 H 1 0.812 0.02 . 2 . . . . . . . . 5912 1 148 . 1 1 13 13 VAL N N 15 110.43 0.05 . 1 . . . . . . . . 5912 1 149 . 1 1 13 13 VAL H H 1 7.437 0.005 . 1 . . . . . . . . 5912 1 150 . 1 1 13 13 VAL C C 13 178.999 0.05 . 1 . . . . . . . . 5912 1 151 . 1 1 13 13 VAL CA C 13 64.39 0.4 . 1 . . . . . . . . 5912 1 152 . 1 1 13 13 VAL HA H 1 3.792 0.02 . 1 . . . . . . . . 5912 1 153 . 1 1 13 13 VAL CB C 13 30.946 0.4 . 1 . . . . . . . . 5912 1 154 . 1 1 13 13 VAL HB H 1 1.594 0.02 . 1 . . . . . . . . 5912 1 155 . 1 1 13 13 VAL CG1 C 13 22.537 0.4 . 2 . . . . . . . . 5912 1 156 . 1 1 13 13 VAL HG11 H 1 0.162 0.02 . 2 . . . . . . . . 5912 1 157 . 1 1 13 13 VAL HG12 H 1 0.162 0.02 . 2 . . . . . . . . 5912 1 158 . 1 1 13 13 VAL HG13 H 1 0.162 0.02 . 2 . . . . . . . . 5912 1 159 . 1 1 13 13 VAL CG2 C 13 19.896 0.4 . 2 . . . . . . . . 5912 1 160 . 1 1 13 13 VAL HG21 H 1 0.373 0.02 . 2 . . . . . . . . 5912 1 161 . 1 1 13 13 VAL HG22 H 1 0.373 0.02 . 2 . . . . . . . . 5912 1 162 . 1 1 13 13 VAL HG23 H 1 0.373 0.02 . 2 . . . . . . . . 5912 1 163 . 1 1 14 14 LYS N N 15 120.965 0.05 . 1 . . . . . . . . 5912 1 164 . 1 1 14 14 LYS H H 1 7.975 0.005 . 1 . . . . . . . . 5912 1 165 . 1 1 14 14 LYS C C 13 178.875 0.05 . 1 . . . . . . . . 5912 1 166 . 1 1 14 14 LYS CA C 13 59.236 0.4 . 1 . . . . . . . . 5912 1 167 . 1 1 14 14 LYS HA H 1 4.213 0.02 . 1 . . . . . . . . 5912 1 168 . 1 1 14 14 LYS CB C 13 32.458 0.4 . 1 . . . . . . . . 5912 1 169 . 1 1 14 14 LYS CG C 13 25.606 0.4 . 1 . . . . . . . . 5912 1 170 . 1 1 14 14 LYS CD C 13 29.321 0.4 . 1 . . . . . . . . 5912 1 171 . 1 1 14 14 LYS CE C 13 41.994 0.4 . 1 . . . . . . . . 5912 1 172 . 1 1 14 14 LYS HB2 H 1 1.931 0.02 . 1 . . . . . . . . 5912 1 173 . 1 1 14 14 LYS HB3 H 1 1.931 0.02 . 1 . . . . . . . . 5912 1 174 . 1 1 14 14 LYS HG2 H 1 1.609 0.02 . 1 . . . . . . . . 5912 1 175 . 1 1 14 14 LYS HG3 H 1 1.609 0.02 . 1 . . . . . . . . 5912 1 176 . 1 1 14 14 LYS HD2 H 1 1.696 0.02 . 1 . . . . . . . . 5912 1 177 . 1 1 14 14 LYS HD3 H 1 1.696 0.02 . 1 . . . . . . . . 5912 1 178 . 1 1 14 14 LYS HE2 H 1 3.005 0.02 . 1 . . . . . . . . 5912 1 179 . 1 1 14 14 LYS HE3 H 1 3.005 0.02 . 1 . . . . . . . . 5912 1 180 . 1 1 15 15 GLN N N 15 114.847 0.05 . 1 . . . . . . . . 5912 1 181 . 1 1 15 15 GLN H H 1 8.048 0.005 . 1 . . . . . . . . 5912 1 182 . 1 1 15 15 GLN C C 13 175.826 0.05 . 1 . . . . . . . . 5912 1 183 . 1 1 15 15 GLN CA C 13 55.968 0.4 . 1 . . . . . . . . 5912 1 184 . 1 1 15 15 GLN HA H 1 4.314 0.02 . 1 . . . . . . . . 5912 1 185 . 1 1 15 15 GLN CB C 13 28.482 0.4 . 1 . . . . . . . . 5912 1 186 . 1 1 15 15 GLN HB2 H 1 2.023 0.02 . 2 . . . . . . . . 5912 1 187 . 1 1 15 15 GLN HB3 H 1 2.246 0.02 . 2 . . . . . . . . 5912 1 188 . 1 1 15 15 GLN CG C 13 34.368 0.4 . 1 . . . . . . . . 5912 1 189 . 1 1 15 15 GLN HG2 H 1 2.417 0.02 . 2 . . . . . . . . 5912 1 190 . 1 1 15 15 GLN HG3 H 1 2.569 0.02 . 2 . . . . . . . . 5912 1 191 . 1 1 15 15 GLN NE2 N 15 111.28 0.05 . 1 . . . . . . . . 5912 1 192 . 1 1 15 15 GLN HE21 H 1 6.812 0.02 . 2 . . . . . . . . 5912 1 193 . 1 1 15 15 GLN HE22 H 1 7.421 0.02 . 2 . . . . . . . . 5912 1 194 . 1 1 16 16 LYS N N 15 115.899 0.05 . 1 . . . . . . . . 5912 1 195 . 1 1 16 16 LYS H H 1 7.714 0.005 . 1 . . . . . . . . 5912 1 196 . 1 1 16 16 LYS C C 13 176.667 0.05 . 1 . . . . . . . . 5912 1 197 . 1 1 16 16 LYS CA C 13 57.297 0.4 . 1 . . . . . . . . 5912 1 198 . 1 1 16 16 LYS HA H 1 4.093 0.02 . 1 . . . . . . . . 5912 1 199 . 1 1 16 16 LYS CB C 13 29.787 0.4 . 1 . . . . . . . . 5912 1 200 . 1 1 16 16 LYS CG C 13 25.041 0.4 . 1 . . . . . . . . 5912 1 201 . 1 1 16 16 LYS CD C 13 29.332 0.4 . 1 . . . . . . . . 5912 1 202 . 1 1 16 16 LYS HD2 H 1 1.742 0.02 . 2 . . . . . . . . 5912 1 203 . 1 1 16 16 LYS HD3 H 1 1.956 0.02 . 2 . . . . . . . . 5912 1 204 . 1 1 16 16 LYS CE C 13 42.386 0.4 . 1 . . . . . . . . 5912 1 205 . 1 1 16 16 LYS HB2 H 1 1.941 0.02 . 1 . . . . . . . . 5912 1 206 . 1 1 16 16 LYS HB3 H 1 1.941 0.02 . 1 . . . . . . . . 5912 1 207 . 1 1 16 16 LYS HG2 H 1 1.421 0.02 . 1 . . . . . . . . 5912 1 208 . 1 1 16 16 LYS HG3 H 1 1.421 0.02 . 1 . . . . . . . . 5912 1 209 . 1 1 16 16 LYS HE2 H 1 3.061 0.02 . 1 . . . . . . . . 5912 1 210 . 1 1 16 16 LYS HE3 H 1 3.061 0.02 . 1 . . . . . . . . 5912 1 211 . 1 1 17 17 LYS N N 15 118.163 0.05 . 1 . . . . . . . . 5912 1 212 . 1 1 17 17 LYS H H 1 8.304 0.005 . 1 . . . . . . . . 5912 1 213 . 1 1 17 17 LYS C C 13 176.455 0.05 . 1 . . . . . . . . 5912 1 214 . 1 1 17 17 LYS CA C 13 56.921 0.4 . 1 . . . . . . . . 5912 1 215 . 1 1 17 17 LYS HA H 1 4.203 0.02 . 1 . . . . . . . . 5912 1 216 . 1 1 17 17 LYS CB C 13 33.382 0.4 . 1 . . . . . . . . 5912 1 217 . 1 1 17 17 LYS HB2 H 1 1.693 0.02 . 2 . . . . . . . . 5912 1 218 . 1 1 17 17 LYS HB3 H 1 1.952 0.02 . 2 . . . . . . . . 5912 1 219 . 1 1 17 17 LYS CG C 13 25.393 0.4 . 1 . . . . . . . . 5912 1 220 . 1 1 17 17 LYS HG2 H 1 0.76 0.02 . 2 . . . . . . . . 5912 1 221 . 1 1 17 17 LYS HG3 H 1 1.415 0.02 . 2 . . . . . . . . 5912 1 222 . 1 1 17 17 LYS CD C 13 28.882 0.4 . 1 . . . . . . . . 5912 1 223 . 1 1 17 17 LYS CE C 13 42.137 0.4 . 1 . . . . . . . . 5912 1 224 . 1 1 17 17 LYS HD2 H 1 1.685 0.02 . 1 . . . . . . . . 5912 1 225 . 1 1 17 17 LYS HD3 H 1 1.685 0.02 . 1 . . . . . . . . 5912 1 226 . 1 1 17 17 LYS HE2 H 1 2.963 0.02 . 1 . . . . . . . . 5912 1 227 . 1 1 17 17 LYS HE3 H 1 2.963 0.02 . 1 . . . . . . . . 5912 1 228 . 1 1 18 18 ALA N N 15 120.199 0.05 . 1 . . . . . . . . 5912 1 229 . 1 1 18 18 ALA H H 1 7.701 0.005 . 1 . . . . . . . . 5912 1 230 . 1 1 18 18 ALA C C 13 176.591 0.05 . 1 . . . . . . . . 5912 1 231 . 1 1 18 18 ALA CA C 13 50.947 0.4 . 1 . . . . . . . . 5912 1 232 . 1 1 18 18 ALA HA H 1 4.446 0.02 . 1 . . . . . . . . 5912 1 233 . 1 1 18 18 ALA CB C 13 22.141 0.4 . 1 . . . . . . . . 5912 1 234 . 1 1 18 18 ALA HB1 H 1 1.259 0.02 . 1 . . . . . . . . 5912 1 235 . 1 1 18 18 ALA HB2 H 1 1.259 0.02 . 1 . . . . . . . . 5912 1 236 . 1 1 18 18 ALA HB3 H 1 1.259 0.02 . 1 . . . . . . . . 5912 1 237 . 1 1 19 19 SER N N 15 115.765 0.05 . 1 . . . . . . . . 5912 1 238 . 1 1 19 19 SER H H 1 8.657 0.005 . 1 . . . . . . . . 5912 1 239 . 1 1 19 19 SER C C 13 174.49 0.05 . 1 . . . . . . . . 5912 1 240 . 1 1 19 19 SER CA C 13 57.301 0.4 . 1 . . . . . . . . 5912 1 241 . 1 1 19 19 SER HA H 1 4.424 0.02 . 1 . . . . . . . . 5912 1 242 . 1 1 19 19 SER CB C 13 64.4 0.4 . 1 . . . . . . . . 5912 1 243 . 1 1 19 19 SER HB2 H 1 4.025 0.02 . 2 . . . . . . . . 5912 1 244 . 1 1 19 19 SER HB3 H 1 4.332 0.02 . 2 . . . . . . . . 5912 1 245 . 1 1 20 20 PHE N N 15 124.588 0.05 . 1 . . . . . . . . 5912 1 246 . 1 1 20 20 PHE H H 1 9.215 0.005 . 1 . . . . . . . . 5912 1 247 . 1 1 20 20 PHE C C 13 179.785 0.05 . 1 . . . . . . . . 5912 1 248 . 1 1 20 20 PHE CA C 13 62.31 0.4 . 1 . . . . . . . . 5912 1 249 . 1 1 20 20 PHE HA H 1 3.65 0.02 . 1 . . . . . . . . 5912 1 250 . 1 1 20 20 PHE CB C 13 38.791 0.4 . 1 . . . . . . . . 5912 1 251 . 1 1 20 20 PHE HB2 H 1 3.039 0.02 . 1 . . . . . . . . 5912 1 252 . 1 1 20 20 PHE HB3 H 1 3.039 0.02 . 1 . . . . . . . . 5912 1 253 . 1 1 20 20 PHE CZ C 13 128.133 0.05 . 1 . . . . . . . . 5912 1 254 . 1 1 20 20 PHE HZ H 1 7.43 0.005 . 1 . . . . . . . . 5912 1 255 . 1 1 20 20 PHE CD2 C 13 132.504 0.05 . 1 . . . . . . . . 5912 1 256 . 1 1 20 20 PHE HD2 H 1 6.792 0.005 . 1 . . . . . . . . 5912 1 257 . 1 1 20 20 PHE CE2 C 13 131.024 0.05 . 1 . . . . . . . . 5912 1 258 . 1 1 20 20 PHE HE2 H 1 7.292 0.005 . 1 . . . . . . . . 5912 1 259 . 1 1 21 21 GLU N N 15 121.561 0.05 . 1 . . . . . . . . 5912 1 260 . 1 1 21 21 GLU H H 1 9.218 0.005 . 1 . . . . . . . . 5912 1 261 . 1 1 21 21 GLU C C 13 176.805 0.05 . 1 . . . . . . . . 5912 1 262 . 1 1 21 21 GLU CA C 13 60.644 0.4 . 1 . . . . . . . . 5912 1 263 . 1 1 21 21 GLU HA H 1 3.662 0.02 . 1 . . . . . . . . 5912 1 264 . 1 1 21 21 GLU CB C 13 30.037 0.4 . 1 . . . . . . . . 5912 1 265 . 1 1 21 21 GLU CG C 13 35.732 0.4 . 1 . . . . . . . . 5912 1 266 . 1 1 21 21 GLU HB2 H 1 2.167 0.02 . 1 . . . . . . . . 5912 1 267 . 1 1 21 21 GLU HB3 H 1 2.167 0.02 . 1 . . . . . . . . 5912 1 268 . 1 1 21 21 GLU HG2 H 1 2.151 0.02 . 1 . . . . . . . . 5912 1 269 . 1 1 21 21 GLU HG3 H 1 2.151 0.02 . 1 . . . . . . . . 5912 1 270 . 1 1 22 22 GLU N N 15 119.666 0.05 . 1 . . . . . . . . 5912 1 271 . 1 1 22 22 GLU H H 1 7.953 0.005 . 1 . . . . . . . . 5912 1 272 . 1 1 22 22 GLU C C 13 179.783 0.05 . 1 . . . . . . . . 5912 1 273 . 1 1 22 22 GLU CA C 13 59.386 0.4 . 1 . . . . . . . . 5912 1 274 . 1 1 22 22 GLU HA H 1 3.987 0.02 . 1 . . . . . . . . 5912 1 275 . 1 1 22 22 GLU CB C 13 29.777 0.4 . 1 . . . . . . . . 5912 1 276 . 1 1 22 22 GLU HB2 H 1 1.966 0.02 . 2 . . . . . . . . 5912 1 277 . 1 1 22 22 GLU HB3 H 1 2.105 0.02 . 2 . . . . . . . . 5912 1 278 . 1 1 22 22 GLU CG C 13 36.271 0.4 . 1 . . . . . . . . 5912 1 279 . 1 1 22 22 GLU HG2 H 1 2.231 0.02 . 1 . . . . . . . . 5912 1 280 . 1 1 22 22 GLU HG3 H 1 2.231 0.02 . 1 . . . . . . . . 5912 1 281 . 1 1 23 23 ALA N N 15 120.764 0.05 . 1 . . . . . . . . 5912 1 282 . 1 1 23 23 ALA H H 1 8.614 0.005 . 1 . . . . . . . . 5912 1 283 . 1 1 23 23 ALA C C 13 181.479 0.05 . 1 . . . . . . . . 5912 1 284 . 1 1 23 23 ALA CA C 13 54.851 0.4 . 1 . . . . . . . . 5912 1 285 . 1 1 23 23 ALA HA H 1 3.948 0.02 . 1 . . . . . . . . 5912 1 286 . 1 1 23 23 ALA CB C 13 18.798 0.4 . 1 . . . . . . . . 5912 1 287 . 1 1 23 23 ALA HB1 H 1 1.162 0.02 . 1 . . . . . . . . 5912 1 288 . 1 1 23 23 ALA HB2 H 1 1.162 0.02 . 1 . . . . . . . . 5912 1 289 . 1 1 23 23 ALA HB3 H 1 1.162 0.02 . 1 . . . . . . . . 5912 1 290 . 1 1 24 24 SER N N 15 114.833 0.05 . 1 . . . . . . . . 5912 1 291 . 1 1 24 24 SER H H 1 8.788 0.005 . 1 . . . . . . . . 5912 1 292 . 1 1 24 24 SER C C 13 175.471 0.05 . 1 . . . . . . . . 5912 1 293 . 1 1 24 24 SER CA C 13 61.924 0.4 . 1 . . . . . . . . 5912 1 294 . 1 1 24 24 SER HA H 1 3.366 0.02 . 1 . . . . . . . . 5912 1 295 . 1 1 24 24 SER CB C 13 62.393 0.4 . 1 . . . . . . . . 5912 1 296 . 1 1 24 24 SER HB2 H 1 3.073 0.02 . 2 . . . . . . . . 5912 1 297 . 1 1 24 24 SER HB3 H 1 3.134 0.02 . 2 . . . . . . . . 5912 1 298 . 1 1 25 25 ASN N N 15 123.484 0.05 . 1 . . . . . . . . 5912 1 299 . 1 1 25 25 ASN H H 1 8.226 0.005 . 1 . . . . . . . . 5912 1 300 . 1 1 25 25 ASN C C 13 178.651 0.05 . 1 . . . . . . . . 5912 1 301 . 1 1 25 25 ASN CA C 13 56.052 0.4 . 1 . . . . . . . . 5912 1 302 . 1 1 25 25 ASN HA H 1 4.399 0.02 . 1 . . . . . . . . 5912 1 303 . 1 1 25 25 ASN CB C 13 37.24 0.4 . 1 . . . . . . . . 5912 1 304 . 1 1 25 25 ASN HB2 H 1 2.702 0.02 . 2 . . . . . . . . 5912 1 305 . 1 1 25 25 ASN HB3 H 1 2.937 0.02 . 2 . . . . . . . . 5912 1 306 . 1 1 26 26 GLN N N 15 119.519 0.05 . 1 . . . . . . . . 5912 1 307 . 1 1 26 26 GLN H H 1 7.523 0.005 . 1 . . . . . . . . 5912 1 308 . 1 1 26 26 GLN C C 13 178.041 0.05 . 1 . . . . . . . . 5912 1 309 . 1 1 26 26 GLN CA C 13 58.59 0.4 . 1 . . . . . . . . 5912 1 310 . 1 1 26 26 GLN HA H 1 3.968 0.02 . 1 . . . . . . . . 5912 1 311 . 1 1 26 26 GLN CB C 13 28.608 0.4 . 1 . . . . . . . . 5912 1 312 . 1 1 26 26 GLN CG C 13 33.577 0.4 . 1 . . . . . . . . 5912 1 313 . 1 1 26 26 GLN HG2 H 1 2.255 0.02 . 2 . . . . . . . . 5912 1 314 . 1 1 26 26 GLN HG3 H 1 2.458 0.02 . 2 . . . . . . . . 5912 1 315 . 1 1 26 26 GLN HE21 H 1 6.751 0.02 . 1 . . . . . . . . 5912 1 316 . 1 1 26 26 GLN HB2 H 1 2.073 0.02 . 1 . . . . . . . . 5912 1 317 . 1 1 26 26 GLN HB3 H 1 2.073 0.02 . 1 . . . . . . . . 5912 1 318 . 1 1 27 27 LEU N N 15 121.521 0.05 . 1 . . . . . . . . 5912 1 319 . 1 1 27 27 LEU H H 1 7.495 0.005 . 1 . . . . . . . . 5912 1 320 . 1 1 27 27 LEU C C 13 178.79 0.05 . 1 . . . . . . . . 5912 1 321 . 1 1 27 27 LEU CA C 13 58.141 0.4 . 1 . . . . . . . . 5912 1 322 . 1 1 27 27 LEU HA H 1 4.009 0.02 . 1 . . . . . . . . 5912 1 323 . 1 1 27 27 LEU CB C 13 42.306 0.4 . 1 . . . . . . . . 5912 1 324 . 1 1 27 27 LEU HB2 H 1 1.051 0.02 . 2 . . . . . . . . 5912 1 325 . 1 1 27 27 LEU HB3 H 1 1.376 0.02 . 2 . . . . . . . . 5912 1 326 . 1 1 27 27 LEU CG C 13 25.93 0.4 . 1 . . . . . . . . 5912 1 327 . 1 1 27 27 LEU HG H 1 1.132 0.02 . 1 . . . . . . . . 5912 1 328 . 1 1 27 27 LEU CD1 C 13 24.183 0.4 . 2 . . . . . . . . 5912 1 329 . 1 1 27 27 LEU HD11 H 1 -0.201 0.02 . 2 . . . . . . . . 5912 1 330 . 1 1 27 27 LEU HD12 H 1 -0.201 0.02 . 2 . . . . . . . . 5912 1 331 . 1 1 27 27 LEU HD13 H 1 -0.201 0.02 . 2 . . . . . . . . 5912 1 332 . 1 1 27 27 LEU CD2 C 13 23.944 0.4 . 2 . . . . . . . . 5912 1 333 . 1 1 27 27 LEU HD21 H 1 0.678 0.02 . 2 . . . . . . . . 5912 1 334 . 1 1 27 27 LEU HD22 H 1 0.678 0.02 . 2 . . . . . . . . 5912 1 335 . 1 1 27 27 LEU HD23 H 1 0.678 0.02 . 2 . . . . . . . . 5912 1 336 . 1 1 28 28 ILE N N 15 119.586 0.05 . 1 . . . . . . . . 5912 1 337 . 1 1 28 28 ILE H H 1 8.468 0.005 . 1 . . . . . . . . 5912 1 338 . 1 1 28 28 ILE C C 13 177.583 0.05 . 1 . . . . . . . . 5912 1 339 . 1 1 28 28 ILE CA C 13 66.14 0.4 . 1 . . . . . . . . 5912 1 340 . 1 1 28 28 ILE HA H 1 3.272 0.02 . 1 . . . . . . . . 5912 1 341 . 1 1 28 28 ILE CB C 13 38.394 0.4 . 1 . . . . . . . . 5912 1 342 . 1 1 28 28 ILE HB H 1 1.755 0.02 . 1 . . . . . . . . 5912 1 343 . 1 1 28 28 ILE CG1 C 13 29.389 0.4 . 1 . . . . . . . . 5912 1 344 . 1 1 28 28 ILE HG12 H 1 0.296 0.02 . 2 . . . . . . . . 5912 1 345 . 1 1 28 28 ILE HG13 H 1 1.272 0.02 . 2 . . . . . . . . 5912 1 346 . 1 1 28 28 ILE CG2 C 13 17.186 0.4 . 1 . . . . . . . . 5912 1 347 . 1 1 28 28 ILE HG21 H 1 0.943 0.02 . 1 . . . . . . . . 5912 1 348 . 1 1 28 28 ILE HG22 H 1 0.943 0.02 . 1 . . . . . . . . 5912 1 349 . 1 1 28 28 ILE HG23 H 1 0.943 0.02 . 1 . . . . . . . . 5912 1 350 . 1 1 28 28 ILE CD1 C 13 13.905 0.4 . 1 . . . . . . . . 5912 1 351 . 1 1 28 28 ILE HD11 H 1 0.803 0.02 . 1 . . . . . . . . 5912 1 352 . 1 1 28 28 ILE HD12 H 1 0.803 0.02 . 1 . . . . . . . . 5912 1 353 . 1 1 28 28 ILE HD13 H 1 0.803 0.02 . 1 . . . . . . . . 5912 1 354 . 1 1 29 29 ASN CA C 13 56.656 0.4 . 1 . . . . . . . . 5912 1 355 . 1 1 29 29 ASN HA H 1 4.385 0.02 . 1 . . . . . . . . 5912 1 356 . 1 1 29 29 ASN CB C 13 38.12 0.4 . 1 . . . . . . . . 5912 1 357 . 1 1 29 29 ASN HB2 H 1 2.629 0.02 . 2 . . . . . . . . 5912 1 358 . 1 1 29 29 ASN HB3 H 1 2.735 0.02 . 2 . . . . . . . . 5912 1 359 . 1 1 29 29 ASN N N 15 117.779 0.05 . 1 . . . . . . . . 5912 1 360 . 1 1 29 29 ASN H H 1 7.431 0.005 . 1 . . . . . . . . 5912 1 361 . 1 1 29 29 ASN C C 13 178.353 0.05 . 1 . . . . . . . . 5912 1 362 . 1 1 30 30 HIS CA C 13 60 0.4 . 1 . . . . . . . . 5912 1 363 . 1 1 30 30 HIS HA H 1 4.034 0.02 . 1 . . . . . . . . 5912 1 364 . 1 1 30 30 HIS CB C 13 29.532 0.4 . 1 . . . . . . . . 5912 1 365 . 1 1 30 30 HIS HB2 H 1 2.432 0.02 . 2 . . . . . . . . 5912 1 366 . 1 1 30 30 HIS HB3 H 1 3.212 0.02 . 2 . . . . . . . . 5912 1 367 . 1 1 30 30 HIS CD2 C 13 122.596 0.05 . 1 . . . . . . . . 5912 1 368 . 1 1 30 30 HIS HD2 H 1 6.868 0.005 . 2 . . . . . . . . 5912 1 369 . 1 1 30 30 HIS CE1 C 13 139.106 0.05 . 1 . . . . . . . . 5912 1 370 . 1 1 30 30 HIS HE1 H 1 7.681 0.005 . 1 . . . . . . . . 5912 1 371 . 1 1 30 30 HIS N N 15 118.585 0.05 . 1 . . . . . . . . 5912 1 372 . 1 1 30 30 HIS H H 1 7.601 0.005 . 1 . . . . . . . . 5912 1 373 . 1 1 30 30 HIS C C 13 177.098 0.05 . 1 . . . . . . . . 5912 1 374 . 1 1 31 31 ILE CA C 13 66.465 0.4 . 1 . . . . . . . . 5912 1 375 . 1 1 31 31 ILE HA H 1 3.659 0.02 . 1 . . . . . . . . 5912 1 376 . 1 1 31 31 ILE CB C 13 38.171 0.4 . 1 . . . . . . . . 5912 1 377 . 1 1 31 31 ILE HB H 1 2.215 0.02 . 1 . . . . . . . . 5912 1 378 . 1 1 31 31 ILE CG1 C 13 30.283 0.4 . 1 . . . . . . . . 5912 1 379 . 1 1 31 31 ILE HG12 H 1 1.121 0.02 . 2 . . . . . . . . 5912 1 380 . 1 1 31 31 ILE HG13 H 1 1.96 0.02 . 2 . . . . . . . . 5912 1 381 . 1 1 31 31 ILE CG2 C 13 16.766 0.4 . 1 . . . . . . . . 5912 1 382 . 1 1 31 31 ILE HG21 H 1 1.114 0.02 . 1 . . . . . . . . 5912 1 383 . 1 1 31 31 ILE HG22 H 1 1.114 0.02 . 1 . . . . . . . . 5912 1 384 . 1 1 31 31 ILE HG23 H 1 1.114 0.02 . 1 . . . . . . . . 5912 1 385 . 1 1 31 31 ILE CD1 C 13 14.845 0.4 . 1 . . . . . . . . 5912 1 386 . 1 1 31 31 ILE HD11 H 1 0.802 0.02 . 1 . . . . . . . . 5912 1 387 . 1 1 31 31 ILE HD12 H 1 0.802 0.02 . 1 . . . . . . . . 5912 1 388 . 1 1 31 31 ILE HD13 H 1 0.802 0.02 . 1 . . . . . . . . 5912 1 389 . 1 1 31 31 ILE N N 15 119.142 0.05 . 1 . . . . . . . . 5912 1 390 . 1 1 31 31 ILE H H 1 8.397 0.005 . 1 . . . . . . . . 5912 1 391 . 1 1 31 31 ILE C C 13 177.81 0.05 . 1 . . . . . . . . 5912 1 392 . 1 1 32 32 GLU CA C 13 60.552 0.4 . 1 . . . . . . . . 5912 1 393 . 1 1 32 32 GLU HA H 1 3.793 0.02 . 1 . . . . . . . . 5912 1 394 . 1 1 32 32 GLU CB C 13 29.252 0.4 . 1 . . . . . . . . 5912 1 395 . 1 1 32 32 GLU HB2 H 1 2.044 0.02 . 2 . . . . . . . . 5912 1 396 . 1 1 32 32 GLU HB3 H 1 2.104 0.02 . 2 . . . . . . . . 5912 1 397 . 1 1 32 32 GLU CG C 13 37.22 0.4 . 1 . . . . . . . . 5912 1 398 . 1 1 32 32 GLU HG2 H 1 2.103 0.02 . 2 . . . . . . . . 5912 1 399 . 1 1 32 32 GLU HG3 H 1 2.56 0.02 . 2 . . . . . . . . 5912 1 400 . 1 1 32 32 GLU N N 15 117.745 0.05 . 1 . . . . . . . . 5912 1 401 . 1 1 32 32 GLU H H 1 8.478 0.005 . 1 . . . . . . . . 5912 1 402 . 1 1 32 32 GLU C C 13 179.056 0.05 . 1 . . . . . . . . 5912 1 403 . 1 1 33 33 GLN HA H 1 4.055 0.02 . 1 . . . . . . . . 5912 1 404 . 1 1 33 33 GLN N N 15 118.354 0.05 . 1 . . . . . . . . 5912 1 405 . 1 1 33 33 GLN H H 1 7.71 0.005 . 1 . . . . . . . . 5912 1 406 . 1 1 33 33 GLN CA C 13 59.098 0.05 . 1 . . . . . . . . 5912 1 407 . 1 1 33 33 GLN C C 13 180.152 0.05 . 1 . . . . . . . . 5912 1 408 . 1 1 33 33 GLN CB C 13 28.318 0.05 . 1 . . . . . . . . 5912 1 409 . 1 1 33 33 GLN CG C 13 34.233 0.05 . 1 . . . . . . . . 5912 1 410 . 1 1 33 33 GLN HG2 H 1 2.294 0.005 . 2 . . . . . . . . 5912 1 411 . 1 1 33 33 GLN HG3 H 1 2.469 0.005 . 2 . . . . . . . . 5912 1 412 . 1 1 33 33 GLN HB2 H 1 2.04 0.005 . 1 . . . . . . . . 5912 1 413 . 1 1 33 33 GLN HB3 H 1 2.04 0.005 . 1 . . . . . . . . 5912 1 414 . 1 1 34 34 PHE CA C 13 57.48 0.4 . 1 . . . . . . . . 5912 1 415 . 1 1 34 34 PHE HA H 1 4.607 0.02 . 1 . . . . . . . . 5912 1 416 . 1 1 34 34 PHE CB C 13 37.574 0.4 . 1 . . . . . . . . 5912 1 417 . 1 1 34 34 PHE HB2 H 1 3.405 0.02 . 2 . . . . . . . . 5912 1 418 . 1 1 34 34 PHE HB3 H 1 3.761 0.02 . 2 . . . . . . . . 5912 1 419 . 1 1 34 34 PHE CZ C 13 129.149 0.05 . 1 . . . . . . . . 5912 1 420 . 1 1 34 34 PHE HZ H 1 7.198 0.005 . 1 . . . . . . . . 5912 1 421 . 1 1 34 34 PHE CD2 C 13 130.615 0.05 . 1 . . . . . . . . 5912 1 422 . 1 1 34 34 PHE HD2 H 1 7.236 0.005 . 1 . . . . . . . . 5912 1 423 . 1 1 34 34 PHE CE2 C 13 131.286 0.05 . 1 . . . . . . . . 5912 1 424 . 1 1 34 34 PHE HE2 H 1 7.36 0.005 . 1 . . . . . . . . 5912 1 425 . 1 1 34 34 PHE N N 15 119.385 0.05 . 1 . . . . . . . . 5912 1 426 . 1 1 34 34 PHE H H 1 8.47 0.005 . 1 . . . . . . . . 5912 1 427 . 1 1 34 34 PHE C C 13 179.895 0.05 . 1 . . . . . . . . 5912 1 428 . 1 1 35 35 LEU CA C 13 58.208 0.4 . 1 . . . . . . . . 5912 1 429 . 1 1 35 35 LEU HA H 1 4.133 0.02 . 1 . . . . . . . . 5912 1 430 . 1 1 35 35 LEU CB C 13 41.078 0.4 . 1 . . . . . . . . 5912 1 431 . 1 1 35 35 LEU HB2 H 1 1.341 0.02 . 2 . . . . . . . . 5912 1 432 . 1 1 35 35 LEU HB3 H 1 1.845 0.02 . 2 . . . . . . . . 5912 1 433 . 1 1 35 35 LEU CG C 13 26.027 0.4 . 1 . . . . . . . . 5912 1 434 . 1 1 35 35 LEU HG H 1 1.84 0.02 . 1 . . . . . . . . 5912 1 435 . 1 1 35 35 LEU CD1 C 13 22.117 0.4 . 2 . . . . . . . . 5912 1 436 . 1 1 35 35 LEU HD11 H 1 0 0.02 . 2 . . . . . . . . 5912 1 437 . 1 1 35 35 LEU HD12 H 1 0 0.02 . 2 . . . . . . . . 5912 1 438 . 1 1 35 35 LEU HD13 H 1 0 0.02 . 2 . . . . . . . . 5912 1 439 . 1 1 35 35 LEU CD2 C 13 25.305 0.4 . 2 . . . . . . . . 5912 1 440 . 1 1 35 35 LEU HD21 H 1 0.427 0.02 . 2 . . . . . . . . 5912 1 441 . 1 1 35 35 LEU HD22 H 1 0.427 0.02 . 2 . . . . . . . . 5912 1 442 . 1 1 35 35 LEU HD23 H 1 0.427 0.02 . 2 . . . . . . . . 5912 1 443 . 1 1 35 35 LEU N N 15 121.119 0.05 . 1 . . . . . . . . 5912 1 444 . 1 1 35 35 LEU H H 1 8.677 0.005 . 1 . . . . . . . . 5912 1 445 . 1 1 35 35 LEU C C 13 179.701 0.05 . 1 . . . . . . . . 5912 1 446 . 1 1 36 36 ASP CA C 13 56.296 0.4 . 1 . . . . . . . . 5912 1 447 . 1 1 36 36 ASP HA H 1 4.557 0.02 . 1 . . . . . . . . 5912 1 448 . 1 1 36 36 ASP CB C 13 40.954 0.4 . 1 . . . . . . . . 5912 1 449 . 1 1 36 36 ASP HB2 H 1 2.724 0.02 . 2 . . . . . . . . 5912 1 450 . 1 1 36 36 ASP HB3 H 1 2.798 0.02 . 2 . . . . . . . . 5912 1 451 . 1 1 36 36 ASP N N 15 117.876 0.05 . 1 . . . . . . . . 5912 1 452 . 1 1 36 36 ASP H H 1 7.776 0.005 . 1 . . . . . . . . 5912 1 453 . 1 1 36 36 ASP C C 13 177.973 0.05 . 1 . . . . . . . . 5912 1 454 . 1 1 37 37 THR CA C 13 64.172 0.4 . 1 . . . . . . . . 5912 1 455 . 1 1 37 37 THR HA H 1 4.052 0.02 . 1 . . . . . . . . 5912 1 456 . 1 1 37 37 THR CB C 13 70.182 0.4 . 1 . . . . . . . . 5912 1 457 . 1 1 37 37 THR HB H 1 4.066 0.02 . 1 . . . . . . . . 5912 1 458 . 1 1 37 37 THR CG2 C 13 20.559 0.4 . 1 . . . . . . . . 5912 1 459 . 1 1 37 37 THR HG21 H 1 1.001 0.02 . 1 . . . . . . . . 5912 1 460 . 1 1 37 37 THR HG22 H 1 1.001 0.02 . 1 . . . . . . . . 5912 1 461 . 1 1 37 37 THR HG23 H 1 1.001 0.02 . 1 . . . . . . . . 5912 1 462 . 1 1 37 37 THR N N 15 108.925 0.05 . 1 . . . . . . . . 5912 1 463 . 1 1 37 37 THR H H 1 7.397 0.005 . 1 . . . . . . . . 5912 1 464 . 1 1 37 37 THR C C 13 176.669 0.05 . 1 . . . . . . . . 5912 1 465 . 1 1 38 38 ASN CA C 13 54.629 0.4 . 1 . . . . . . . . 5912 1 466 . 1 1 38 38 ASN HA H 1 4.621 0.02 . 1 . . . . . . . . 5912 1 467 . 1 1 38 38 ASN CB C 13 39.043 0.4 . 1 . . . . . . . . 5912 1 468 . 1 1 38 38 ASN HB2 H 1 2.704 0.02 . 2 . . . . . . . . 5912 1 469 . 1 1 38 38 ASN HB3 H 1 3.381 0.02 . 2 . . . . . . . . 5912 1 470 . 1 1 38 38 ASN ND2 N 15 110.4 0.05 . 1 . . . . . . . . 5912 1 471 . 1 1 38 38 ASN HD21 H 1 6.884 0.02 . 2 . . . . . . . . 5912 1 472 . 1 1 38 38 ASN HD22 H 1 7.522 0.02 . 2 . . . . . . . . 5912 1 473 . 1 1 38 38 ASN N N 15 114.97 0.05 . 1 . . . . . . . . 5912 1 474 . 1 1 38 38 ASN H H 1 7.941 0.005 . 1 . . . . . . . . 5912 1 475 . 1 1 38 38 ASN C C 13 174.433 0.05 . 1 . . . . . . . . 5912 1 476 . 1 1 39 39 GLU CA C 13 54.845 0.4 . 1 . . . . . . . . 5912 1 477 . 1 1 39 39 GLU HA H 1 4.616 0.02 . 1 . . . . . . . . 5912 1 478 . 1 1 39 39 GLU CB C 13 33.43 0.4 . 1 . . . . . . . . 5912 1 479 . 1 1 39 39 GLU CG C 13 36.129 0.4 . 1 . . . . . . . . 5912 1 480 . 1 1 39 39 GLU HG2 H 1 2.208 0.02 . 2 . . . . . . . . 5912 1 481 . 1 1 39 39 GLU HG3 H 1 2.398 0.02 . 2 . . . . . . . . 5912 1 482 . 1 1 39 39 GLU HB2 H 1 2.072 0.02 . 1 . . . . . . . . 5912 1 483 . 1 1 39 39 GLU HB3 H 1 2.072 0.02 . 1 . . . . . . . . 5912 1 484 . 1 1 39 39 GLU N N 15 116.531 0.05 . 1 . . . . . . . . 5912 1 485 . 1 1 39 39 GLU H H 1 7.438 0.005 . 1 . . . . . . . . 5912 1 486 . 1 1 39 39 GLU C C 13 176.853 0.05 . 1 . . . . . . . . 5912 1 487 . 1 1 40 40 THR CA C 13 68.346 0.4 . 1 . . . . . . . . 5912 1 488 . 1 1 40 40 THR HA H 1 3.753 0.02 . 1 . . . . . . . . 5912 1 489 . 1 1 40 40 THR CB C 13 66.791 0.4 . 1 . . . . . . . . 5912 1 490 . 1 1 40 40 THR HB H 1 4.295 0.02 . 1 . . . . . . . . 5912 1 491 . 1 1 40 40 THR CG2 C 13 22.899 0.4 . 1 . . . . . . . . 5912 1 492 . 1 1 40 40 THR HG21 H 1 1.346 0.02 . 1 . . . . . . . . 5912 1 493 . 1 1 40 40 THR HG22 H 1 1.346 0.02 . 1 . . . . . . . . 5912 1 494 . 1 1 40 40 THR HG23 H 1 1.346 0.02 . 1 . . . . . . . . 5912 1 495 . 1 1 40 40 THR N N 15 120.44 0.05 . 1 . . . . . . . . 5912 1 496 . 1 1 40 40 THR H H 1 8.871 0.005 . 1 . . . . . . . . 5912 1 497 . 1 1 40 40 THR C C 13 176.745 0.05 . 1 . . . . . . . . 5912 1 498 . 1 1 41 41 PRO CA C 13 66.266 0.4 . 1 . . . . . . . . 5912 1 499 . 1 1 41 41 PRO HA H 1 4.27 0.02 . 1 . . . . . . . . 5912 1 500 . 1 1 41 41 PRO CB C 13 30.918 0.4 . 1 . . . . . . . . 5912 1 501 . 1 1 41 41 PRO HB2 H 1 1.37 0.02 . 2 . . . . . . . . 5912 1 502 . 1 1 41 41 PRO HB3 H 1 2.169 0.02 . 2 . . . . . . . . 5912 1 503 . 1 1 41 41 PRO CG C 13 28.598 0.4 . 1 . . . . . . . . 5912 1 504 . 1 1 41 41 PRO CD C 13 50.395 0.4 . 1 . . . . . . . . 5912 1 505 . 1 1 41 41 PRO HD2 H 1 3.657 0.02 . 2 . . . . . . . . 5912 1 506 . 1 1 41 41 PRO HD3 H 1 3.789 0.02 . 2 . . . . . . . . 5912 1 507 . 1 1 41 41 PRO HG2 H 1 1.932 0.02 . 1 . . . . . . . . 5912 1 508 . 1 1 41 41 PRO HG3 H 1 1.932 0.02 . 1 . . . . . . . . 5912 1 509 . 1 1 41 41 PRO C C 13 180.104 0.05 . 1 . . . . . . . . 5912 1 510 . 1 1 42 42 TYR CA C 13 61.482 0.4 . 1 . . . . . . . . 5912 1 511 . 1 1 42 42 TYR HA H 1 4.006 0.02 . 1 . . . . . . . . 5912 1 512 . 1 1 42 42 TYR CB C 13 38.051 0.4 . 1 . . . . . . . . 5912 1 513 . 1 1 42 42 TYR HB2 H 1 3.087 0.02 . 2 . . . . . . . . 5912 1 514 . 1 1 42 42 TYR HB3 H 1 3.14 0.02 . 2 . . . . . . . . 5912 1 515 . 1 1 42 42 TYR CD2 C 13 133.257 0.05 . 1 . . . . . . . . 5912 1 516 . 1 1 42 42 TYR HD2 H 1 6.905 0.005 . 1 . . . . . . . . 5912 1 517 . 1 1 42 42 TYR CE2 C 13 118.493 0.05 . 1 . . . . . . . . 5912 1 518 . 1 1 42 42 TYR HE2 H 1 6.866 0.005 . 1 . . . . . . . . 5912 1 519 . 1 1 42 42 TYR N N 15 115.147 0.05 . 1 . . . . . . . . 5912 1 520 . 1 1 42 42 TYR H H 1 6.987 0.005 . 1 . . . . . . . . 5912 1 521 . 1 1 42 42 TYR C C 13 179.74 0.05 . 1 . . . . . . . . 5912 1 522 . 1 1 43 43 PHE CA C 13 57.803 0.4 . 1 . . . . . . . . 5912 1 523 . 1 1 43 43 PHE HA H 1 4.737 0.02 . 1 . . . . . . . . 5912 1 524 . 1 1 43 43 PHE CB C 13 36.845 0.4 . 1 . . . . . . . . 5912 1 525 . 1 1 43 43 PHE HB2 H 1 3.435 0.02 . 2 . . . . . . . . 5912 1 526 . 1 1 43 43 PHE HB3 H 1 3.998 0.02 . 2 . . . . . . . . 5912 1 527 . 1 1 43 43 PHE CZ C 13 130.114 0.05 . 1 . . . . . . . . 5912 1 528 . 1 1 43 43 PHE HZ H 1 7.611 0.005 . 1 . . . . . . . . 5912 1 529 . 1 1 43 43 PHE CD2 C 13 129.867 0.05 . 1 . . . . . . . . 5912 1 530 . 1 1 43 43 PHE HD2 H 1 7.118 0.005 . 1 . . . . . . . . 5912 1 531 . 1 1 43 43 PHE CE2 C 13 131.954 0.05 . 1 . . . . . . . . 5912 1 532 . 1 1 43 43 PHE HE2 H 1 7.55 0.005 . 1 . . . . . . . . 5912 1 533 . 1 1 43 43 PHE N N 15 123.815 0.05 . 1 . . . . . . . . 5912 1 534 . 1 1 43 43 PHE H H 1 8.363 0.005 . 1 . . . . . . . . 5912 1 535 . 1 1 43 43 PHE C C 13 179.527 0.05 . 1 . . . . . . . . 5912 1 536 . 1 1 44 44 MET CA C 13 57.756 0.4 . 1 . . . . . . . . 5912 1 537 . 1 1 44 44 MET HA H 1 4.489 0.02 . 1 . . . . . . . . 5912 1 538 . 1 1 44 44 MET CB C 13 29.57 0.4 . 1 . . . . . . . . 5912 1 539 . 1 1 44 44 MET CG C 13 31.727 0.4 . 1 . . . . . . . . 5912 1 540 . 1 1 44 44 MET CE C 13 16.41 0.4 . 1 . . . . . . . . 5912 1 541 . 1 1 44 44 MET HE1 H 1 2.102 0.02 . 1 . . . . . . . . 5912 1 542 . 1 1 44 44 MET HE2 H 1 2.102 0.02 . 1 . . . . . . . . 5912 1 543 . 1 1 44 44 MET HE3 H 1 2.102 0.02 . 1 . . . . . . . . 5912 1 544 . 1 1 44 44 MET HB2 H 1 2.207 0.02 . 1 . . . . . . . . 5912 1 545 . 1 1 44 44 MET HB3 H 1 2.207 0.02 . 1 . . . . . . . . 5912 1 546 . 1 1 44 44 MET HG2 H 1 2.828 0.02 . 1 . . . . . . . . 5912 1 547 . 1 1 44 44 MET HG3 H 1 2.828 0.02 . 1 . . . . . . . . 5912 1 548 . 1 1 44 44 MET N N 15 117.288 0.05 . 1 . . . . . . . . 5912 1 549 . 1 1 44 44 MET H H 1 8.36 0.005 . 1 . . . . . . . . 5912 1 550 . 1 1 44 44 MET C C 13 180.027 0.05 . 1 . . . . . . . . 5912 1 551 . 1 1 45 45 LYS CA C 13 59.675 0.4 . 1 . . . . . . . . 5912 1 552 . 1 1 45 45 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 5912 1 553 . 1 1 45 45 LYS CB C 13 32.791 0.4 . 1 . . . . . . . . 5912 1 554 . 1 1 45 45 LYS HB2 H 1 1.388 0.02 . 2 . . . . . . . . 5912 1 555 . 1 1 45 45 LYS HB3 H 1 1.592 0.02 . 2 . . . . . . . . 5912 1 556 . 1 1 45 45 LYS CG C 13 25.395 0.4 . 1 . . . . . . . . 5912 1 557 . 1 1 45 45 LYS HG2 H 1 1.384 0.02 . 2 . . . . . . . . 5912 1 558 . 1 1 45 45 LYS HG3 H 1 1.451 0.02 . 2 . . . . . . . . 5912 1 559 . 1 1 45 45 LYS CD C 13 29.388 0.4 . 1 . . . . . . . . 5912 1 560 . 1 1 45 45 LYS HD2 H 1 1.088 0.02 . 2 . . . . . . . . 5912 1 561 . 1 1 45 45 LYS HD3 H 1 1.371 0.02 . 2 . . . . . . . . 5912 1 562 . 1 1 45 45 LYS CE C 13 41.89 0.4 . 1 . . . . . . . . 5912 1 563 . 1 1 45 45 LYS HE2 H 1 2.678 0.02 . 1 . . . . . . . . 5912 1 564 . 1 1 45 45 LYS HE3 H 1 2.678 0.02 . 1 . . . . . . . . 5912 1 565 . 1 1 45 45 LYS N N 15 120.249 0.05 . 1 . . . . . . . . 5912 1 566 . 1 1 45 45 LYS H H 1 7.528 0.005 . 1 . . . . . . . . 5912 1 567 . 1 1 45 45 LYS C C 13 180.372 0.05 . 1 . . . . . . . . 5912 1 568 . 1 1 46 46 SER CA C 13 64.375 0.4 . 1 . . . . . . . . 5912 1 569 . 1 1 46 46 SER HA H 1 4.429 0.02 . 1 . . . . . . . . 5912 1 570 . 1 1 46 46 SER CB C 13 63.463 0.4 . 1 . . . . . . . . 5912 1 571 . 1 1 46 46 SER HB2 H 1 4.097 0.02 . 2 . . . . . . . . 5912 1 572 . 1 1 46 46 SER HB3 H 1 4.677 0.02 . 2 . . . . . . . . 5912 1 573 . 1 1 46 46 SER N N 15 116.611 0.05 . 1 . . . . . . . . 5912 1 574 . 1 1 46 46 SER H H 1 8.25 0.005 . 1 . . . . . . . . 5912 1 575 . 1 1 46 46 SER C C 13 176.726 0.05 . 1 . . . . . . . . 5912 1 576 . 1 1 47 47 ILE CA C 13 63.976 0.4 . 1 . . . . . . . . 5912 1 577 . 1 1 47 47 ILE HA H 1 3.888 0.02 . 1 . . . . . . . . 5912 1 578 . 1 1 47 47 ILE CB C 13 35.768 0.4 . 1 . . . . . . . . 5912 1 579 . 1 1 47 47 ILE HB H 1 2.461 0.02 . 1 . . . . . . . . 5912 1 580 . 1 1 47 47 ILE CG1 C 13 27.983 0.4 . 1 . . . . . . . . 5912 1 581 . 1 1 47 47 ILE HG12 H 1 1.626 0.02 . 2 . . . . . . . . 5912 1 582 . 1 1 47 47 ILE HG13 H 1 1.759 0.02 . 2 . . . . . . . . 5912 1 583 . 1 1 47 47 ILE CG2 C 13 17.017 0.4 . 1 . . . . . . . . 5912 1 584 . 1 1 47 47 ILE HG21 H 1 0.947 0.02 . 1 . . . . . . . . 5912 1 585 . 1 1 47 47 ILE HG22 H 1 0.947 0.02 . 1 . . . . . . . . 5912 1 586 . 1 1 47 47 ILE HG23 H 1 0.947 0.02 . 1 . . . . . . . . 5912 1 587 . 1 1 47 47 ILE CD1 C 13 11.176 0.4 . 1 . . . . . . . . 5912 1 588 . 1 1 47 47 ILE HD11 H 1 0.606 0.02 . 1 . . . . . . . . 5912 1 589 . 1 1 47 47 ILE HD12 H 1 0.606 0.02 . 1 . . . . . . . . 5912 1 590 . 1 1 47 47 ILE HD13 H 1 0.606 0.02 . 1 . . . . . . . . 5912 1 591 . 1 1 47 47 ILE N N 15 123.667 0.05 . 1 . . . . . . . . 5912 1 592 . 1 1 47 47 ILE H H 1 8.207 0.005 . 1 . . . . . . . . 5912 1 593 . 1 1 47 47 ILE C C 13 177.988 0.05 . 1 . . . . . . . . 5912 1 594 . 1 1 48 48 ASP CA C 13 58.146 0.4 . 1 . . . . . . . . 5912 1 595 . 1 1 48 48 ASP HA H 1 4.503 0.02 . 1 . . . . . . . . 5912 1 596 . 1 1 48 48 ASP CB C 13 40.603 0.4 . 1 . . . . . . . . 5912 1 597 . 1 1 48 48 ASP HB2 H 1 2.814 0.02 . 2 . . . . . . . . 5912 1 598 . 1 1 48 48 ASP HB3 H 1 3.056 0.02 . 2 . . . . . . . . 5912 1 599 . 1 1 48 48 ASP N N 15 120.489 0.05 . 1 . . . . . . . . 5912 1 600 . 1 1 48 48 ASP H H 1 7.772 0.005 . 1 . . . . . . . . 5912 1 601 . 1 1 48 48 ASP C C 13 180.274 0.05 . 1 . . . . . . . . 5912 1 602 . 1 1 49 49 CYS CA C 13 64.37 0.4 . 1 . . . . . . . . 5912 1 603 . 1 1 49 49 CYS HA H 1 4.126 0.02 . 1 . . . . . . . . 5912 1 604 . 1 1 49 49 CYS CB C 13 28.152 0.4 . 1 . . . . . . . . 5912 1 605 . 1 1 49 49 CYS HB2 H 1 2.489 0.02 . 2 . . . . . . . . 5912 1 606 . 1 1 49 49 CYS HB3 H 1 3.746 0.02 . 2 . . . . . . . . 5912 1 607 . 1 1 49 49 CYS N N 15 116.483 0.05 . 1 . . . . . . . . 5912 1 608 . 1 1 49 49 CYS H H 1 7.886 0.005 . 1 . . . . . . . . 5912 1 609 . 1 1 50 50 ILE CA C 13 66.98 0.4 . 1 . . . . . . . . 5912 1 610 . 1 1 50 50 ILE HA H 1 3.793 0.02 . 1 . . . . . . . . 5912 1 611 . 1 1 50 50 ILE CB C 13 38.524 0.4 . 1 . . . . . . . . 5912 1 612 . 1 1 50 50 ILE HB H 1 2.231 0.02 . 1 . . . . . . . . 5912 1 613 . 1 1 50 50 ILE CG1 C 13 31.01 0.4 . 1 . . . . . . . . 5912 1 614 . 1 1 50 50 ILE HG12 H 1 1.269 0.02 . 2 . . . . . . . . 5912 1 615 . 1 1 50 50 ILE HG13 H 1 2.501 0.02 . 2 . . . . . . . . 5912 1 616 . 1 1 50 50 ILE CG2 C 13 19.232 0.4 . 1 . . . . . . . . 5912 1 617 . 1 1 50 50 ILE HG21 H 1 1.346 0.02 . 1 . . . . . . . . 5912 1 618 . 1 1 50 50 ILE HG22 H 1 1.346 0.02 . 1 . . . . . . . . 5912 1 619 . 1 1 50 50 ILE HG23 H 1 1.346 0.02 . 1 . . . . . . . . 5912 1 620 . 1 1 50 50 ILE CD1 C 13 14.123 0.4 . 1 . . . . . . . . 5912 1 621 . 1 1 50 50 ILE HD11 H 1 1.159 0.02 . 1 . . . . . . . . 5912 1 622 . 1 1 50 50 ILE HD12 H 1 1.159 0.02 . 1 . . . . . . . . 5912 1 623 . 1 1 50 50 ILE HD13 H 1 1.159 0.02 . 1 . . . . . . . . 5912 1 624 . 1 1 50 50 ILE N N 15 121.688 0.05 . 1 . . . . . . . . 5912 1 625 . 1 1 50 50 ILE H H 1 8.83 0.005 . 1 . . . . . . . . 5912 1 626 . 1 1 50 50 ILE C C 13 177.74 0.05 . 1 . . . . . . . . 5912 1 627 . 1 1 51 51 ARG CA C 13 60.616 0.4 . 1 . . . . . . . . 5912 1 628 . 1 1 51 51 ARG HA H 1 3.91 0.02 . 1 . . . . . . . . 5912 1 629 . 1 1 51 51 ARG CB C 13 30.604 0.4 . 1 . . . . . . . . 5912 1 630 . 1 1 51 51 ARG HB2 H 1 1.939 0.02 . 2 . . . . . . . . 5912 1 631 . 1 1 51 51 ARG HB3 H 1 1.993 0.02 . 2 . . . . . . . . 5912 1 632 . 1 1 51 51 ARG CG C 13 28.591 0.4 . 1 . . . . . . . . 5912 1 633 . 1 1 51 51 ARG HG2 H 1 1.607 0.02 . 2 . . . . . . . . 5912 1 634 . 1 1 51 51 ARG HG3 H 1 1.924 0.02 . 2 . . . . . . . . 5912 1 635 . 1 1 51 51 ARG CD C 13 43.699 0.4 . 1 . . . . . . . . 5912 1 636 . 1 1 51 51 ARG HE H 1 7.741 0.02 . 1 . . . . . . . . 5912 1 637 . 1 1 51 51 ARG HD2 H 1 3.253 0.02 . 1 . . . . . . . . 5912 1 638 . 1 1 51 51 ARG HD3 H 1 3.253 0.02 . 1 . . . . . . . . 5912 1 639 . 1 1 51 51 ARG N N 15 119.627 0.05 . 1 . . . . . . . . 5912 1 640 . 1 1 51 51 ARG H H 1 8.941 0.005 . 1 . . . . . . . . 5912 1 641 . 1 1 51 51 ARG C C 13 178.808 0.05 . 1 . . . . . . . . 5912 1 642 . 1 1 52 52 ALA CA C 13 55.659 0.4 . 1 . . . . . . . . 5912 1 643 . 1 1 52 52 ALA HA H 1 4.296 0.02 . 1 . . . . . . . . 5912 1 644 . 1 1 52 52 ALA CB C 13 18.558 0.4 . 1 . . . . . . . . 5912 1 645 . 1 1 52 52 ALA HB1 H 1 1.675 0.02 . 1 . . . . . . . . 5912 1 646 . 1 1 52 52 ALA HB2 H 1 1.675 0.02 . 1 . . . . . . . . 5912 1 647 . 1 1 52 52 ALA HB3 H 1 1.675 0.02 . 1 . . . . . . . . 5912 1 648 . 1 1 52 52 ALA N N 15 120.838 0.05 . 1 . . . . . . . . 5912 1 649 . 1 1 52 52 ALA H H 1 7.785 0.005 . 1 . . . . . . . . 5912 1 650 . 1 1 52 52 ALA C C 13 179.321 0.05 . 1 . . . . . . . . 5912 1 651 . 1 1 53 53 PHE CA C 13 57.443 0.4 . 1 . . . . . . . . 5912 1 652 . 1 1 53 53 PHE HA H 1 4.534 0.02 . 1 . . . . . . . . 5912 1 653 . 1 1 53 53 PHE CB C 13 38.179 0.4 . 1 . . . . . . . . 5912 1 654 . 1 1 53 53 PHE HB2 H 1 3.103 0.02 . 2 . . . . . . . . 5912 1 655 . 1 1 53 53 PHE HB3 H 1 3.751 0.02 . 2 . . . . . . . . 5912 1 656 . 1 1 53 53 PHE CZ C 13 127.733 0.05 . 1 . . . . . . . . 5912 1 657 . 1 1 53 53 PHE HZ H 1 6.988 0.005 . 1 . . . . . . . . 5912 1 658 . 1 1 53 53 PHE CD2 C 13 130.034 0.05 . 1 . . . . . . . . 5912 1 659 . 1 1 53 53 PHE HD2 H 1 7.204 0.005 . 1 . . . . . . . . 5912 1 660 . 1 1 53 53 PHE CE2 C 13 131.133 0.05 . 1 . . . . . . . . 5912 1 661 . 1 1 53 53 PHE HE2 H 1 6.905 0.005 . 1 . . . . . . . . 5912 1 662 . 1 1 53 53 PHE N N 15 118.03 0.05 . 1 . . . . . . . . 5912 1 663 . 1 1 53 53 PHE H H 1 8.167 0.005 . 1 . . . . . . . . 5912 1 664 . 1 1 53 53 PHE C C 13 177.524 0.05 . 1 . . . . . . . . 5912 1 665 . 1 1 54 54 ARG CA C 13 60.515 0.4 . 1 . . . . . . . . 5912 1 666 . 1 1 54 54 ARG HA H 1 2.503 0.02 . 1 . . . . . . . . 5912 1 667 . 1 1 54 54 ARG CB C 13 30.95 0.4 . 1 . . . . . . . . 5912 1 668 . 1 1 54 54 ARG HB2 H 1 1.087 0.02 . 2 . . . . . . . . 5912 1 669 . 1 1 54 54 ARG HB3 H 1 1.651 0.02 . 2 . . . . . . . . 5912 1 670 . 1 1 54 54 ARG CG C 13 28.174 0.4 . 1 . . . . . . . . 5912 1 671 . 1 1 54 54 ARG HG2 H 1 -0.186 0.02 . 2 . . . . . . . . 5912 1 672 . 1 1 54 54 ARG HG3 H 1 1.451 0.02 . 2 . . . . . . . . 5912 1 673 . 1 1 54 54 ARG CD C 13 43.289 0.4 . 1 . . . . . . . . 5912 1 674 . 1 1 54 54 ARG HD2 H 1 2.487 0.02 . 2 . . . . . . . . 5912 1 675 . 1 1 54 54 ARG HD3 H 1 3.207 0.02 . 2 . . . . . . . . 5912 1 676 . 1 1 54 54 ARG HE H 1 7.383 0.02 . 1 . . . . . . . . 5912 1 677 . 1 1 54 54 ARG N N 15 120.649 0.05 . 1 . . . . . . . . 5912 1 678 . 1 1 54 54 ARG H H 1 8.4 0.005 . 1 . . . . . . . . 5912 1 679 . 1 1 54 54 ARG C C 13 177.575 0.05 . 1 . . . . . . . . 5912 1 680 . 1 1 55 55 GLU CA C 13 59.354 0.4 . 1 . . . . . . . . 5912 1 681 . 1 1 55 55 GLU HA H 1 3.911 0.02 . 1 . . . . . . . . 5912 1 682 . 1 1 55 55 GLU CB C 13 30.46 0.4 . 1 . . . . . . . . 5912 1 683 . 1 1 55 55 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5912 1 684 . 1 1 55 55 GLU HB3 H 1 2.267 0.02 . 2 . . . . . . . . 5912 1 685 . 1 1 55 55 GLU CG C 13 36.545 0.4 . 1 . . . . . . . . 5912 1 686 . 1 1 55 55 GLU HG2 H 1 2.288 0.02 . 2 . . . . . . . . 5912 1 687 . 1 1 55 55 GLU HG3 H 1 2.595 0.02 . 2 . . . . . . . . 5912 1 688 . 1 1 55 55 GLU N N 15 114.912 0.05 . 1 . . . . . . . . 5912 1 689 . 1 1 55 55 GLU H H 1 8.062 0.005 . 1 . . . . . . . . 5912 1 690 . 1 1 55 55 GLU C C 13 181.493 0.05 . 1 . . . . . . . . 5912 1 691 . 1 1 56 56 GLU CA C 13 57.663 0.4 . 1 . . . . . . . . 5912 1 692 . 1 1 56 56 GLU HA H 1 4.791 0.02 . 1 . . . . . . . . 5912 1 693 . 1 1 56 56 GLU CB C 13 28.927 0.4 . 1 . . . . . . . . 5912 1 694 . 1 1 56 56 GLU HB2 H 1 2.375 0.02 . 2 . . . . . . . . 5912 1 695 . 1 1 56 56 GLU HB3 H 1 2.694 0.02 . 2 . . . . . . . . 5912 1 696 . 1 1 56 56 GLU CG C 13 35.609 0.4 . 1 . . . . . . . . 5912 1 697 . 1 1 56 56 GLU HG2 H 1 2.241 0.02 . 2 . . . . . . . . 5912 1 698 . 1 1 56 56 GLU HG3 H 1 3.002 0.02 . 2 . . . . . . . . 5912 1 699 . 1 1 56 56 GLU N N 15 116.486 0.05 . 1 . . . . . . . . 5912 1 700 . 1 1 56 56 GLU H H 1 8.666 0.005 . 1 . . . . . . . . 5912 1 701 . 1 1 56 56 GLU C C 13 179.324 0.05 . 1 . . . . . . . . 5912 1 702 . 1 1 57 57 ALA CA C 13 55.945 0.4 . 1 . . . . . . . . 5912 1 703 . 1 1 57 57 ALA HA H 1 3.978 0.02 . 1 . . . . . . . . 5912 1 704 . 1 1 57 57 ALA CB C 13 18.179 0.4 . 1 . . . . . . . . 5912 1 705 . 1 1 57 57 ALA HB1 H 1 1.471 0.02 . 1 . . . . . . . . 5912 1 706 . 1 1 57 57 ALA HB2 H 1 1.471 0.02 . 1 . . . . . . . . 5912 1 707 . 1 1 57 57 ALA HB3 H 1 1.471 0.02 . 1 . . . . . . . . 5912 1 708 . 1 1 57 57 ALA N N 15 122.242 0.05 . 1 . . . . . . . . 5912 1 709 . 1 1 57 57 ALA H H 1 9.32 0.005 . 1 . . . . . . . . 5912 1 710 . 1 1 57 57 ALA C C 13 180.541 0.05 . 1 . . . . . . . . 5912 1 711 . 1 1 58 58 ILE CA C 13 66.182 0.4 . 1 . . . . . . . . 5912 1 712 . 1 1 58 58 ILE HA H 1 3.596 0.02 . 1 . . . . . . . . 5912 1 713 . 1 1 58 58 ILE CB C 13 38.633 0.4 . 1 . . . . . . . . 5912 1 714 . 1 1 58 58 ILE HB H 1 1.897 0.02 . 1 . . . . . . . . 5912 1 715 . 1 1 58 58 ILE CG1 C 13 30.872 0.4 . 1 . . . . . . . . 5912 1 716 . 1 1 58 58 ILE HG12 H 1 0.739 0.02 . 2 . . . . . . . . 5912 1 717 . 1 1 58 58 ILE HG13 H 1 1.968 0.02 . 2 . . . . . . . . 5912 1 718 . 1 1 58 58 ILE CG2 C 13 16.836 0.4 . 1 . . . . . . . . 5912 1 719 . 1 1 58 58 ILE HG21 H 1 0.938 0.02 . 1 . . . . . . . . 5912 1 720 . 1 1 58 58 ILE HG22 H 1 0.938 0.02 . 1 . . . . . . . . 5912 1 721 . 1 1 58 58 ILE HG23 H 1 0.938 0.02 . 1 . . . . . . . . 5912 1 722 . 1 1 58 58 ILE CD1 C 13 14.06 0.4 . 1 . . . . . . . . 5912 1 723 . 1 1 58 58 ILE HD11 H 1 0.861 0.02 . 1 . . . . . . . . 5912 1 724 . 1 1 58 58 ILE HD12 H 1 0.861 0.02 . 1 . . . . . . . . 5912 1 725 . 1 1 58 58 ILE HD13 H 1 0.861 0.02 . 1 . . . . . . . . 5912 1 726 . 1 1 58 58 ILE N N 15 116.634 0.05 . 1 . . . . . . . . 5912 1 727 . 1 1 58 58 ILE H H 1 7.525 0.005 . 1 . . . . . . . . 5912 1 728 . 1 1 58 58 ILE C C 13 179.299 0.05 . 1 . . . . . . . . 5912 1 729 . 1 1 59 59 LYS CA C 13 59.48 0.4 . 1 . . . . . . . . 5912 1 730 . 1 1 59 59 LYS HA H 1 3.945 0.02 . 1 . . . . . . . . 5912 1 731 . 1 1 59 59 LYS CB C 13 32.621 0.4 . 1 . . . . . . . . 5912 1 732 . 1 1 59 59 LYS HB2 H 1 1.695 0.02 . 2 . . . . . . . . 5912 1 733 . 1 1 59 59 LYS HB3 H 1 1.929 0.02 . 2 . . . . . . . . 5912 1 734 . 1 1 59 59 LYS CG C 13 24.965 0.4 . 1 . . . . . . . . 5912 1 735 . 1 1 59 59 LYS HG2 H 1 1.244 0.02 . 2 . . . . . . . . 5912 1 736 . 1 1 59 59 LYS HG3 H 1 1.455 0.02 . 2 . . . . . . . . 5912 1 737 . 1 1 59 59 LYS CD C 13 29.21 0.4 . 1 . . . . . . . . 5912 1 738 . 1 1 59 59 LYS CE C 13 42.151 0.4 . 1 . . . . . . . . 5912 1 739 . 1 1 59 59 LYS HD2 H 1 1.685 0.02 . 1 . . . . . . . . 5912 1 740 . 1 1 59 59 LYS HD3 H 1 1.685 0.02 . 1 . . . . . . . . 5912 1 741 . 1 1 59 59 LYS HE2 H 1 2.896 0.02 . 1 . . . . . . . . 5912 1 742 . 1 1 59 59 LYS HE3 H 1 2.896 0.02 . 1 . . . . . . . . 5912 1 743 . 1 1 59 59 LYS N N 15 119.929 0.05 . 1 . . . . . . . . 5912 1 744 . 1 1 59 59 LYS H H 1 7.324 0.005 . 1 . . . . . . . . 5912 1 745 . 1 1 59 59 LYS C C 13 178.744 0.05 . 1 . . . . . . . . 5912 1 746 . 1 1 60 60 PHE CA C 13 58.823 0.4 . 1 . . . . . . . . 5912 1 747 . 1 1 60 60 PHE HA H 1 4.532 0.02 . 1 . . . . . . . . 5912 1 748 . 1 1 60 60 PHE CB C 13 38.447 0.4 . 1 . . . . . . . . 5912 1 749 . 1 1 60 60 PHE HB2 H 1 2.442 0.02 . 2 . . . . . . . . 5912 1 750 . 1 1 60 60 PHE HB3 H 1 3.357 0.02 . 2 . . . . . . . . 5912 1 751 . 1 1 60 60 PHE CZ C 13 129.905 0.05 . 1 . . . . . . . . 5912 1 752 . 1 1 60 60 PHE HZ H 1 7.239 0.005 . 1 . . . . . . . . 5912 1 753 . 1 1 60 60 PHE CD2 C 13 132.273 0.05 . 1 . . . . . . . . 5912 1 754 . 1 1 60 60 PHE HD2 H 1 7.732 0.005 . 1 . . . . . . . . 5912 1 755 . 1 1 60 60 PHE CE2 C 13 131.852 0.05 . 1 . . . . . . . . 5912 1 756 . 1 1 60 60 PHE HE2 H 1 7.572 0.005 . 1 . . . . . . . . 5912 1 757 . 1 1 60 60 PHE N N 15 114.802 0.05 . 1 . . . . . . . . 5912 1 758 . 1 1 60 60 PHE H H 1 8.235 0.005 . 1 . . . . . . . . 5912 1 759 . 1 1 60 60 PHE C C 13 174.552 0.05 . 1 . . . . . . . . 5912 1 760 . 1 1 61 61 SER CA C 13 59.679 0.4 . 1 . . . . . . . . 5912 1 761 . 1 1 61 61 SER HA H 1 4.446 0.02 . 1 . . . . . . . . 5912 1 762 . 1 1 61 61 SER CB C 13 61 0.4 . 1 . . . . . . . . 5912 1 763 . 1 1 61 61 SER HB2 H 1 4.145 0.02 . 2 . . . . . . . . 5912 1 764 . 1 1 61 61 SER HB3 H 1 4.269 0.02 . 2 . . . . . . . . 5912 1 765 . 1 1 61 61 SER N N 15 113.009 0.05 . 1 . . . . . . . . 5912 1 766 . 1 1 61 61 SER H H 1 7.579 0.005 . 1 . . . . . . . . 5912 1 767 . 1 1 61 61 SER C C 13 175.45 0.05 . 1 . . . . . . . . 5912 1 768 . 1 1 62 62 GLU H H 1 8.924 0.02 . 1 . . . . . . . . 5912 1 769 . 1 1 62 62 GLU N N 15 120.533 0.05 . 1 . . . . . . . . 5912 1 770 . 1 1 62 62 GLU CA C 13 54.427 0.4 . 1 . . . . . . . . 5912 1 771 . 1 1 62 62 GLU HA H 1 4.627 0.02 . 1 . . . . . . . . 5912 1 772 . 1 1 62 62 GLU CB C 13 29.53 0.4 . 1 . . . . . . . . 5912 1 773 . 1 1 62 62 GLU HB2 H 1 0.54 0.02 . 2 . . . . . . . . 5912 1 774 . 1 1 62 62 GLU HB3 H 1 2.42 0.02 . 2 . . . . . . . . 5912 1 775 . 1 1 62 62 GLU CG C 13 32.943 0.4 . 1 . . . . . . . . 5912 1 776 . 1 1 62 62 GLU HG2 H 1 0.888 0.02 . 2 . . . . . . . . 5912 1 777 . 1 1 62 62 GLU HG3 H 1 1.821 0.02 . 2 . . . . . . . . 5912 1 778 . 1 1 62 62 GLU C C 13 177.276 0.05 . 1 . . . . . . . . 5912 1 779 . 1 1 63 63 GLU CA C 13 60.096 0.4 . 1 . . . . . . . . 5912 1 780 . 1 1 63 63 GLU HA H 1 3.806 0.02 . 1 . . . . . . . . 5912 1 781 . 1 1 63 63 GLU CB C 13 28.387 0.05 . 1 . . . . . . . . 5912 1 782 . 1 1 63 63 GLU HB2 H 1 1.677 0.02 . 2 . . . . . . . . 5912 1 783 . 1 1 63 63 GLU HB3 H 1 1.91 0.005 . 2 . . . . . . . . 5912 1 784 . 1 1 63 63 GLU CG C 13 35.044 0.4 . 1 . . . . . . . . 5912 1 785 . 1 1 63 63 GLU HG2 H 1 1.992 0.02 . 2 . . . . . . . . 5912 1 786 . 1 1 63 63 GLU HG3 H 1 2.238 0.02 . 2 . . . . . . . . 5912 1 787 . 1 1 63 63 GLU N N 15 121.617 0.05 . 1 . . . . . . . . 5912 1 788 . 1 1 63 63 GLU H H 1 10.057 0.005 . 1 . . . . . . . . 5912 1 789 . 1 1 63 63 GLU C C 13 178.071 0.05 . 1 . . . . . . . . 5912 1 790 . 1 1 64 64 GLN CA C 13 59.174 0.4 . 1 . . . . . . . . 5912 1 791 . 1 1 64 64 GLN HA H 1 4.103 0.02 . 1 . . . . . . . . 5912 1 792 . 1 1 64 64 GLN CB C 13 28.239 0.4 . 1 . . . . . . . . 5912 1 793 . 1 1 64 64 GLN CG C 13 34.145 0.4 . 1 . . . . . . . . 5912 1 794 . 1 1 64 64 GLN HB2 H 1 2.081 0.02 . 1 . . . . . . . . 5912 1 795 . 1 1 64 64 GLN HB3 H 1 2.081 0.02 . 1 . . . . . . . . 5912 1 796 . 1 1 64 64 GLN HG2 H 1 2.456 0.02 . 1 . . . . . . . . 5912 1 797 . 1 1 64 64 GLN HG3 H 1 2.456 0.02 . 1 . . . . . . . . 5912 1 798 . 1 1 64 64 GLN N N 15 119.369 0.05 . 1 . . . . . . . . 5912 1 799 . 1 1 64 64 GLN H H 1 8.6 0.005 . 1 . . . . . . . . 5912 1 800 . 1 1 64 64 GLN C C 13 176.455 0.05 . 1 . . . . . . . . 5912 1 801 . 1 1 65 65 ARG CA C 13 59.476 0.4 . 1 . . . . . . . . 5912 1 802 . 1 1 65 65 ARG HA H 1 4.217 0.02 . 1 . . . . . . . . 5912 1 803 . 1 1 65 65 ARG CB C 13 30.79 0.4 . 1 . . . . . . . . 5912 1 804 . 1 1 65 65 ARG HB2 H 1 2.253 0.02 . 2 . . . . . . . . 5912 1 805 . 1 1 65 65 ARG HB3 H 1 2.311 0.02 . 2 . . . . . . . . 5912 1 806 . 1 1 65 65 ARG CG C 13 28.134 0.4 . 1 . . . . . . . . 5912 1 807 . 1 1 65 65 ARG HG2 H 1 1.776 0.02 . 2 . . . . . . . . 5912 1 808 . 1 1 65 65 ARG HG3 H 1 2.119 0.02 . 2 . . . . . . . . 5912 1 809 . 1 1 65 65 ARG CD C 13 43.681 0.4 . 1 . . . . . . . . 5912 1 810 . 1 1 65 65 ARG HD2 H 1 3.347 0.02 . 2 . . . . . . . . 5912 1 811 . 1 1 65 65 ARG HD3 H 1 3.755 0.02 . 2 . . . . . . . . 5912 1 812 . 1 1 65 65 ARG HE H 1 7.937 0.02 . 1 . . . . . . . . 5912 1 813 . 1 1 65 65 ARG N N 15 119.745 0.05 . 1 . . . . . . . . 5912 1 814 . 1 1 65 65 ARG H H 1 7.853 0.005 . 1 . . . . . . . . 5912 1 815 . 1 1 65 65 ARG C C 13 180.411 0.05 . 1 . . . . . . . . 5912 1 816 . 1 1 66 66 PHE CA C 13 62.158 0.4 . 1 . . . . . . . . 5912 1 817 . 1 1 66 66 PHE HA H 1 3.58 0.02 . 1 . . . . . . . . 5912 1 818 . 1 1 66 66 PHE CB C 13 38.916 0.4 . 1 . . . . . . . . 5912 1 819 . 1 1 66 66 PHE HB2 H 1 2.397 0.02 . 2 . . . . . . . . 5912 1 820 . 1 1 66 66 PHE HB3 H 1 2.884 0.02 . 2 . . . . . . . . 5912 1 821 . 1 1 66 66 PHE HZ H 1 6.925 0.02 . 1 . . . . . . . . 5912 1 822 . 1 1 66 66 PHE CZ C 13 128.73 0.05 . 1 . . . . . . . . 5912 1 823 . 1 1 66 66 PHE CD2 C 13 133.868 0.05 . 1 . . . . . . . . 5912 1 824 . 1 1 66 66 PHE HD2 H 1 7.444 0.005 . 1 . . . . . . . . 5912 1 825 . 1 1 66 66 PHE CE2 C 13 131.22 0.05 . 1 . . . . . . . . 5912 1 826 . 1 1 66 66 PHE HE2 H 1 5.689 0.005 . 1 . . . . . . . . 5912 1 827 . 1 1 66 66 PHE N N 15 118.515 0.05 . 1 . . . . . . . . 5912 1 828 . 1 1 66 66 PHE H H 1 7.629 0.005 . 1 . . . . . . . . 5912 1 829 . 1 1 66 66 PHE C C 13 175.944 0.05 . 1 . . . . . . . . 5912 1 830 . 1 1 67 67 ASN CA C 13 55.641 0.4 . 1 . . . . . . . . 5912 1 831 . 1 1 67 67 ASN HA H 1 4.18 0.02 . 1 . . . . . . . . 5912 1 832 . 1 1 67 67 ASN CB C 13 36.924 0.4 . 1 . . . . . . . . 5912 1 833 . 1 1 67 67 ASN HB2 H 1 2.623 0.02 . 2 . . . . . . . . 5912 1 834 . 1 1 67 67 ASN HB3 H 1 2.92 0.02 . 2 . . . . . . . . 5912 1 835 . 1 1 67 67 ASN HD21 H 1 7.128 0.02 . 2 . . . . . . . . 5912 1 836 . 1 1 67 67 ASN HD22 H 1 7.924 0.02 . 2 . . . . . . . . 5912 1 837 . 1 1 67 67 ASN N N 15 120.507 0.05 . 1 . . . . . . . . 5912 1 838 . 1 1 67 67 ASN H H 1 8.708 0.005 . 1 . . . . . . . . 5912 1 839 . 1 1 67 67 ASN C C 13 177.976 0.05 . 1 . . . . . . . . 5912 1 840 . 1 1 68 68 ASN CA C 13 55.789 0.4 . 1 . . . . . . . . 5912 1 841 . 1 1 68 68 ASN HA H 1 4.404 0.02 . 1 . . . . . . . . 5912 1 842 . 1 1 68 68 ASN CB C 13 37.566 0.4 . 1 . . . . . . . . 5912 1 843 . 1 1 68 68 ASN HB2 H 1 2.83 0.02 . 2 . . . . . . . . 5912 1 844 . 1 1 68 68 ASN HB3 H 1 2.945 0.02 . 2 . . . . . . . . 5912 1 845 . 1 1 68 68 ASN ND2 N 15 111.55 0.05 . 1 . . . . . . . . 5912 1 846 . 1 1 68 68 ASN HD21 H 1 7.002 0.02 . 2 . . . . . . . . 5912 1 847 . 1 1 68 68 ASN HD22 H 1 7.697 0.02 . 2 . . . . . . . . 5912 1 848 . 1 1 68 68 ASN N N 15 118.002 0.05 . 1 . . . . . . . . 5912 1 849 . 1 1 68 68 ASN H H 1 8.597 0.005 . 1 . . . . . . . . 5912 1 850 . 1 1 68 68 ASN C C 13 178.817 0.05 . 1 . . . . . . . . 5912 1 851 . 1 1 69 69 PHE CA C 13 60.102 0.4 . 1 . . . . . . . . 5912 1 852 . 1 1 69 69 PHE HA H 1 4.488 0.02 . 1 . . . . . . . . 5912 1 853 . 1 1 69 69 PHE CB C 13 38 0.4 . 1 . . . . . . . . 5912 1 854 . 1 1 69 69 PHE HB2 H 1 3.136 0.02 . 2 . . . . . . . . 5912 1 855 . 1 1 69 69 PHE HB3 H 1 3.485 0.02 . 2 . . . . . . . . 5912 1 856 . 1 1 69 69 PHE CD2 C 13 133.803 0.05 . 1 . . . . . . . . 5912 1 857 . 1 1 69 69 PHE HD2 H 1 7.05 0.005 . 1 . . . . . . . . 5912 1 858 . 1 1 69 69 PHE CE2 C 13 130.523 0.05 . 1 . . . . . . . . 5912 1 859 . 1 1 69 69 PHE HE2 H 1 7.249 0.005 . 1 . . . . . . . . 5912 1 860 . 1 1 69 69 PHE N N 15 122.588 0.05 . 1 . . . . . . . . 5912 1 861 . 1 1 69 69 PHE H H 1 7.57 0.005 . 1 . . . . . . . . 5912 1 862 . 1 1 69 69 PHE C C 13 176.24 0.05 . 1 . . . . . . . . 5912 1 863 . 1 1 70 70 LEU CA C 13 57.698 0.4 . 1 . . . . . . . . 5912 1 864 . 1 1 70 70 LEU HA H 1 3.351 0.02 . 1 . . . . . . . . 5912 1 865 . 1 1 70 70 LEU CB C 13 41.037 0.4 . 1 . . . . . . . . 5912 1 866 . 1 1 70 70 LEU HB2 H 1 0.697 0.02 . 2 . . . . . . . . 5912 1 867 . 1 1 70 70 LEU HB3 H 1 1.437 0.02 . 2 . . . . . . . . 5912 1 868 . 1 1 70 70 LEU CG C 13 26.804 0.4 . 1 . . . . . . . . 5912 1 869 . 1 1 70 70 LEU HG H 1 1.831 0.02 . 1 . . . . . . . . 5912 1 870 . 1 1 70 70 LEU CD1 C 13 25.456 0.4 . 2 . . . . . . . . 5912 1 871 . 1 1 70 70 LEU HD11 H 1 0.754 0.02 . 2 . . . . . . . . 5912 1 872 . 1 1 70 70 LEU HD12 H 1 0.754 0.02 . 2 . . . . . . . . 5912 1 873 . 1 1 70 70 LEU HD13 H 1 0.754 0.02 . 2 . . . . . . . . 5912 1 874 . 1 1 70 70 LEU CD2 C 13 23.295 0.4 . 2 . . . . . . . . 5912 1 875 . 1 1 70 70 LEU HD21 H 1 0.886 0.02 . 2 . . . . . . . . 5912 1 876 . 1 1 70 70 LEU HD22 H 1 0.886 0.02 . 2 . . . . . . . . 5912 1 877 . 1 1 70 70 LEU HD23 H 1 0.886 0.02 . 2 . . . . . . . . 5912 1 878 . 1 1 70 70 LEU N N 15 123.021 0.05 . 1 . . . . . . . . 5912 1 879 . 1 1 70 70 LEU H H 1 8.36 0.005 . 1 . . . . . . . . 5912 1 880 . 1 1 70 70 LEU C C 13 179.492 0.05 . 1 . . . . . . . . 5912 1 881 . 1 1 71 71 LYS CA C 13 60.075 0.4 . 1 . . . . . . . . 5912 1 882 . 1 1 71 71 LYS HA H 1 4.135 0.02 . 1 . . . . . . . . 5912 1 883 . 1 1 71 71 LYS CB C 13 32.667 0.05 . 1 . . . . . . . . 5912 1 884 . 1 1 71 71 LYS HB2 H 1 1.825 0.005 . 2 . . . . . . . . 5912 1 885 . 1 1 71 71 LYS HB3 H 1 1.941 0.005 . 2 . . . . . . . . 5912 1 886 . 1 1 71 71 LYS CG C 13 26.021 0.4 . 1 . . . . . . . . 5912 1 887 . 1 1 71 71 LYS HG2 H 1 1.429 0.02 . 2 . . . . . . . . 5912 1 888 . 1 1 71 71 LYS HG3 H 1 1.64 0.02 . 2 . . . . . . . . 5912 1 889 . 1 1 71 71 LYS CD C 13 29.604 0.4 . 1 . . . . . . . . 5912 1 890 . 1 1 71 71 LYS CE C 13 42.158 0.4 . 1 . . . . . . . . 5912 1 891 . 1 1 71 71 LYS HD2 H 1 1.685 0.02 . 1 . . . . . . . . 5912 1 892 . 1 1 71 71 LYS HD3 H 1 1.685 0.02 . 1 . . . . . . . . 5912 1 893 . 1 1 71 71 LYS HE2 H 1 2.887 0.02 . 1 . . . . . . . . 5912 1 894 . 1 1 71 71 LYS HE3 H 1 2.887 0.02 . 1 . . . . . . . . 5912 1 895 . 1 1 71 71 LYS N N 15 117.175 0.05 . 1 . . . . . . . . 5912 1 896 . 1 1 71 71 LYS H H 1 7.839 0.005 . 1 . . . . . . . . 5912 1 897 . 1 1 71 71 LYS C C 13 179.219 0.05 . 1 . . . . . . . . 5912 1 898 . 1 1 72 72 ALA CA C 13 54.707 0.4 . 1 . . . . . . . . 5912 1 899 . 1 1 72 72 ALA HA H 1 4.154 0.02 . 1 . . . . . . . . 5912 1 900 . 1 1 72 72 ALA CB C 13 17.877 0.4 . 1 . . . . . . . . 5912 1 901 . 1 1 72 72 ALA HB1 H 1 1.472 0.02 . 1 . . . . . . . . 5912 1 902 . 1 1 72 72 ALA HB2 H 1 1.472 0.02 . 1 . . . . . . . . 5912 1 903 . 1 1 72 72 ALA HB3 H 1 1.472 0.02 . 1 . . . . . . . . 5912 1 904 . 1 1 72 72 ALA N N 15 122.164 0.05 . 1 . . . . . . . . 5912 1 905 . 1 1 72 72 ALA H H 1 7.595 0.005 . 1 . . . . . . . . 5912 1 906 . 1 1 72 72 ALA C C 13 180.898 0.05 . 1 . . . . . . . . 5912 1 907 . 1 1 73 73 LEU CA C 13 57.48 0.4 . 1 . . . . . . . . 5912 1 908 . 1 1 73 73 LEU HA H 1 3.905 0.02 . 1 . . . . . . . . 5912 1 909 . 1 1 73 73 LEU CB C 13 41.229 0.4 . 1 . . . . . . . . 5912 1 910 . 1 1 73 73 LEU HB2 H 1 0.946 0.02 . 2 . . . . . . . . 5912 1 911 . 1 1 73 73 LEU HB3 H 1 1.837 0.02 . 2 . . . . . . . . 5912 1 912 . 1 1 73 73 LEU CG C 13 26.888 0.4 . 1 . . . . . . . . 5912 1 913 . 1 1 73 73 LEU HG H 1 1.692 0.02 . 1 . . . . . . . . 5912 1 914 . 1 1 73 73 LEU CD1 C 13 23.014 0.4 . 2 . . . . . . . . 5912 1 915 . 1 1 73 73 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 5912 1 916 . 1 1 73 73 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 5912 1 917 . 1 1 73 73 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 5912 1 918 . 1 1 73 73 LEU CD2 C 13 26.389 0.4 . 2 . . . . . . . . 5912 1 919 . 1 1 73 73 LEU HD21 H 1 1.106 0.02 . 2 . . . . . . . . 5912 1 920 . 1 1 73 73 LEU HD22 H 1 1.106 0.02 . 2 . . . . . . . . 5912 1 921 . 1 1 73 73 LEU HD23 H 1 1.106 0.02 . 2 . . . . . . . . 5912 1 922 . 1 1 73 73 LEU N N 15 122.004 0.05 . 1 . . . . . . . . 5912 1 923 . 1 1 73 73 LEU H H 1 8.611 0.005 . 1 . . . . . . . . 5912 1 924 . 1 1 73 73 LEU C C 13 178.079 0.05 . 1 . . . . . . . . 5912 1 925 . 1 1 74 74 GLN CA C 13 59.586 0.4 . 1 . . . . . . . . 5912 1 926 . 1 1 74 74 GLN HA H 1 2.705 0.02 . 1 . . . . . . . . 5912 1 927 . 1 1 74 74 GLN CB C 13 28.113 0.4 . 1 . . . . . . . . 5912 1 928 . 1 1 74 74 GLN HB2 H 1 1.701 0.02 . 2 . . . . . . . . 5912 1 929 . 1 1 74 74 GLN HB3 H 1 2.143 0.02 . 2 . . . . . . . . 5912 1 930 . 1 1 74 74 GLN CG C 13 33.597 0.4 . 1 . . . . . . . . 5912 1 931 . 1 1 74 74 GLN HG2 H 1 1.261 0.02 . 2 . . . . . . . . 5912 1 932 . 1 1 74 74 GLN HG3 H 1 1.366 0.02 . 2 . . . . . . . . 5912 1 933 . 1 1 74 74 GLN NE2 N 15 110.95 0.05 . 1 . . . . . . . . 5912 1 934 . 1 1 74 74 GLN HE21 H 1 6.175 0.02 . 2 . . . . . . . . 5912 1 935 . 1 1 74 74 GLN HE22 H 1 6.365 0.02 . 2 . . . . . . . . 5912 1 936 . 1 1 74 74 GLN N N 15 118.835 0.05 . 1 . . . . . . . . 5912 1 937 . 1 1 74 74 GLN H H 1 7.964 0.005 . 1 . . . . . . . . 5912 1 938 . 1 1 74 74 GLN C C 13 177.949 0.05 . 1 . . . . . . . . 5912 1 939 . 1 1 75 75 GLU CA C 13 59.377 0.4 . 1 . . . . . . . . 5912 1 940 . 1 1 75 75 GLU HA H 1 3.865 0.02 . 1 . . . . . . . . 5912 1 941 . 1 1 75 75 GLU CB C 13 29.656 0.4 . 1 . . . . . . . . 5912 1 942 . 1 1 75 75 GLU CG C 13 36.517 0.4 . 1 . . . . . . . . 5912 1 943 . 1 1 75 75 GLU HG2 H 1 2.167 0.02 . 2 . . . . . . . . 5912 1 944 . 1 1 75 75 GLU HG3 H 1 2.418 0.02 . 2 . . . . . . . . 5912 1 945 . 1 1 75 75 GLU HB2 H 1 2.05 0.02 . 1 . . . . . . . . 5912 1 946 . 1 1 75 75 GLU HB3 H 1 2.05 0.02 . 1 . . . . . . . . 5912 1 947 . 1 1 75 75 GLU N N 15 116.955 0.05 . 1 . . . . . . . . 5912 1 948 . 1 1 75 75 GLU H H 1 7.246 0.005 . 1 . . . . . . . . 5912 1 949 . 1 1 75 75 GLU C C 13 178.124 0.05 . 1 . . . . . . . . 5912 1 950 . 1 1 76 76 LYS HA H 1 4.048 0.02 . 1 . . . . . . . . 5912 1 951 . 1 1 76 76 LYS N N 15 119.658 0.05 . 1 . . . . . . . . 5912 1 952 . 1 1 76 76 LYS H H 1 7.84 0.005 . 1 . . . . . . . . 5912 1 953 . 1 1 76 76 LYS CA C 13 58.957 0.05 . 1 . . . . . . . . 5912 1 954 . 1 1 76 76 LYS C C 13 178.505 0.05 . 1 . . . . . . . . 5912 1 955 . 1 1 76 76 LYS CB C 13 32.568 0.05 . 1 . . . . . . . . 5912 1 956 . 1 1 76 76 LYS HG2 H 1 1.44 0.005 . 2 . . . . . . . . 5912 1 957 . 1 1 76 76 LYS HG3 H 1 1.529 0.005 . 2 . . . . . . . . 5912 1 958 . 1 1 76 76 LYS HB2 H 1 1.972 0.005 . 1 . . . . . . . . 5912 1 959 . 1 1 76 76 LYS HB3 H 1 1.972 0.005 . 1 . . . . . . . . 5912 1 960 . 1 1 77 77 VAL CA C 13 66.519 0.4 . 1 . . . . . . . . 5912 1 961 . 1 1 77 77 VAL HA H 1 3.466 0.02 . 1 . . . . . . . . 5912 1 962 . 1 1 77 77 VAL CB C 13 31.111 0.4 . 1 . . . . . . . . 5912 1 963 . 1 1 77 77 VAL HB H 1 2.055 0.02 . 1 . . . . . . . . 5912 1 964 . 1 1 77 77 VAL CG1 C 13 21.605 0.4 . 2 . . . . . . . . 5912 1 965 . 1 1 77 77 VAL HG11 H 1 0.9 0.02 . 2 . . . . . . . . 5912 1 966 . 1 1 77 77 VAL HG12 H 1 0.9 0.02 . 2 . . . . . . . . 5912 1 967 . 1 1 77 77 VAL HG13 H 1 0.9 0.02 . 2 . . . . . . . . 5912 1 968 . 1 1 77 77 VAL CG2 C 13 23.245 0.4 . 2 . . . . . . . . 5912 1 969 . 1 1 77 77 VAL HG21 H 1 1.076 0.02 . 2 . . . . . . . . 5912 1 970 . 1 1 77 77 VAL HG22 H 1 1.076 0.02 . 2 . . . . . . . . 5912 1 971 . 1 1 77 77 VAL HG23 H 1 1.076 0.02 . 2 . . . . . . . . 5912 1 972 . 1 1 77 77 VAL N N 15 118.056 0.05 . 1 . . . . . . . . 5912 1 973 . 1 1 77 77 VAL H H 1 8.313 0.005 . 1 . . . . . . . . 5912 1 974 . 1 1 77 77 VAL C C 13 178.162 0.05 . 1 . . . . . . . . 5912 1 975 . 1 1 78 78 GLU CA C 13 59.242 0.4 . 1 . . . . . . . . 5912 1 976 . 1 1 78 78 GLU HA H 1 4.037 0.02 . 1 . . . . . . . . 5912 1 977 . 1 1 78 78 GLU CB C 13 29.293 0.4 . 1 . . . . . . . . 5912 1 978 . 1 1 78 78 GLU CG C 13 36.139 0.4 . 1 . . . . . . . . 5912 1 979 . 1 1 78 78 GLU HG2 H 1 2.077 0.02 . 2 . . . . . . . . 5912 1 980 . 1 1 78 78 GLU HG3 H 1 2.316 0.02 . 2 . . . . . . . . 5912 1 981 . 1 1 78 78 GLU HB2 H 1 2.002 0.02 . 1 . . . . . . . . 5912 1 982 . 1 1 78 78 GLU HB3 H 1 2.002 0.02 . 1 . . . . . . . . 5912 1 983 . 1 1 78 78 GLU N N 15 119.425 0.05 . 1 . . . . . . . . 5912 1 984 . 1 1 78 78 GLU H H 1 7.683 0.005 . 1 . . . . . . . . 5912 1 985 . 1 1 78 78 GLU C C 13 180.354 0.05 . 1 . . . . . . . . 5912 1 986 . 1 1 79 79 ILE CA C 13 64.395 0.4 . 1 . . . . . . . . 5912 1 987 . 1 1 79 79 ILE HA H 1 3.884 0.02 . 1 . . . . . . . . 5912 1 988 . 1 1 79 79 ILE CB C 13 38.358 0.4 . 1 . . . . . . . . 5912 1 989 . 1 1 79 79 ILE HB H 1 1.916 0.02 . 1 . . . . . . . . 5912 1 990 . 1 1 79 79 ILE CG1 C 13 29.062 0.4 . 1 . . . . . . . . 5912 1 991 . 1 1 79 79 ILE HG12 H 1 1.26 0.02 . 2 . . . . . . . . 5912 1 992 . 1 1 79 79 ILE HG13 H 1 1.678 0.02 . 2 . . . . . . . . 5912 1 993 . 1 1 79 79 ILE CG2 C 13 17.441 0.4 . 1 . . . . . . . . 5912 1 994 . 1 1 79 79 ILE HG21 H 1 0.959 0.02 . 1 . . . . . . . . 5912 1 995 . 1 1 79 79 ILE HG22 H 1 0.959 0.02 . 1 . . . . . . . . 5912 1 996 . 1 1 79 79 ILE HG23 H 1 0.959 0.02 . 1 . . . . . . . . 5912 1 997 . 1 1 79 79 ILE CD1 C 13 13.36 0.4 . 1 . . . . . . . . 5912 1 998 . 1 1 79 79 ILE HD11 H 1 0.864 0.02 . 1 . . . . . . . . 5912 1 999 . 1 1 79 79 ILE HD12 H 1 0.864 0.02 . 1 . . . . . . . . 5912 1 1000 . 1 1 79 79 ILE HD13 H 1 0.864 0.02 . 1 . . . . . . . . 5912 1 1001 . 1 1 79 79 ILE N N 15 120.579 0.05 . 1 . . . . . . . . 5912 1 1002 . 1 1 79 79 ILE H H 1 7.955 0.005 . 1 . . . . . . . . 5912 1 1003 . 1 1 79 79 ILE C C 13 178.651 0.05 . 1 . . . . . . . . 5912 1 1004 . 1 1 80 80 LYS CA C 13 56.197 0.4 . 1 . . . . . . . . 5912 1 1005 . 1 1 80 80 LYS HA H 1 4.276 0.02 . 1 . . . . . . . . 5912 1 1006 . 1 1 80 80 LYS CB C 13 32.619 0.4 . 1 . . . . . . . . 5912 1 1007 . 1 1 80 80 LYS HB2 H 1 1.677 0.02 . 2 . . . . . . . . 5912 1 1008 . 1 1 80 80 LYS HB3 H 1 2.046 0.02 . 2 . . . . . . . . 5912 1 1009 . 1 1 80 80 LYS CG C 13 25.795 0.4 . 1 . . . . . . . . 5912 1 1010 . 1 1 80 80 LYS HG2 H 1 1.5 0.02 . 2 . . . . . . . . 5912 1 1011 . 1 1 80 80 LYS HG3 H 1 1.621 0.02 . 2 . . . . . . . . 5912 1 1012 . 1 1 80 80 LYS CD C 13 29.111 0.4 . 1 . . . . . . . . 5912 1 1013 . 1 1 80 80 LYS CE C 13 41.79 0.4 . 1 . . . . . . . . 5912 1 1014 . 1 1 80 80 LYS HD2 H 1 1.628 0.02 . 1 . . . . . . . . 5912 1 1015 . 1 1 80 80 LYS HD3 H 1 1.628 0.02 . 1 . . . . . . . . 5912 1 1016 . 1 1 80 80 LYS HE2 H 1 2.985 0.02 . 1 . . . . . . . . 5912 1 1017 . 1 1 80 80 LYS HE3 H 1 2.985 0.02 . 1 . . . . . . . . 5912 1 1018 . 1 1 80 80 LYS N N 15 117.383 0.05 . 1 . . . . . . . . 5912 1 1019 . 1 1 80 80 LYS H H 1 8.111 0.005 . 1 . . . . . . . . 5912 1 1020 . 1 1 80 80 LYS C C 13 175.263 0.05 . 1 . . . . . . . . 5912 1 1021 . 1 1 81 81 GLN CA C 13 56.797 0.4 . 1 . . . . . . . . 5912 1 1022 . 1 1 81 81 GLN HA H 1 4.016 0.02 . 1 . . . . . . . . 5912 1 1023 . 1 1 81 81 GLN CB C 13 25.913 0.4 . 1 . . . . . . . . 5912 1 1024 . 1 1 81 81 GLN HB2 H 1 2.315 0.02 . 2 . . . . . . . . 5912 1 1025 . 1 1 81 81 GLN HB3 H 1 2.421 0.02 . 2 . . . . . . . . 5912 1 1026 . 1 1 81 81 GLN CG C 13 34.382 0.4 . 1 . . . . . . . . 5912 1 1027 . 1 1 81 81 GLN HG2 H 1 2.346 0.02 . 1 . . . . . . . . 5912 1 1028 . 1 1 81 81 GLN HG3 H 1 2.346 0.02 . 1 . . . . . . . . 5912 1 1029 . 1 1 81 81 GLN NE2 N 15 113.19 0.05 . 1 . . . . . . . . 5912 1 1030 . 1 1 81 81 GLN HE21 H 1 6.848 0.02 . 2 . . . . . . . . 5912 1 1031 . 1 1 81 81 GLN HE22 H 1 7.682 0.02 . 2 . . . . . . . . 5912 1 1032 . 1 1 81 81 GLN N N 15 115.49 0.05 . 1 . . . . . . . . 5912 1 1033 . 1 1 81 81 GLN H H 1 7.762 0.005 . 1 . . . . . . . . 5912 1 1034 . 1 1 81 81 GLN C C 13 177.077 0.05 . 1 . . . . . . . . 5912 1 1035 . 1 1 82 82 LEU CA C 13 53.065 0.4 . 1 . . . . . . . . 5912 1 1036 . 1 1 82 82 LEU HA H 1 4.962 0.02 . 1 . . . . . . . . 5912 1 1037 . 1 1 82 82 LEU CB C 13 42.008 0.4 . 1 . . . . . . . . 5912 1 1038 . 1 1 82 82 LEU HB2 H 1 1.674 0.02 . 2 . . . . . . . . 5912 1 1039 . 1 1 82 82 LEU HB3 H 1 1.883 0.02 . 2 . . . . . . . . 5912 1 1040 . 1 1 82 82 LEU CG C 13 26.629 0.4 . 1 . . . . . . . . 5912 1 1041 . 1 1 82 82 LEU HG H 1 1.617 0.02 . 1 . . . . . . . . 5912 1 1042 . 1 1 82 82 LEU CD1 C 13 26.284 0.4 . 2 . . . . . . . . 5912 1 1043 . 1 1 82 82 LEU HD11 H 1 0.878 0.02 . 2 . . . . . . . . 5912 1 1044 . 1 1 82 82 LEU HD12 H 1 0.878 0.02 . 2 . . . . . . . . 5912 1 1045 . 1 1 82 82 LEU HD13 H 1 0.878 0.02 . 2 . . . . . . . . 5912 1 1046 . 1 1 82 82 LEU CD2 C 13 23.76 0.4 . 2 . . . . . . . . 5912 1 1047 . 1 1 82 82 LEU HD21 H 1 0.966 0.02 . 2 . . . . . . . . 5912 1 1048 . 1 1 82 82 LEU HD22 H 1 0.966 0.02 . 2 . . . . . . . . 5912 1 1049 . 1 1 82 82 LEU HD23 H 1 0.966 0.02 . 2 . . . . . . . . 5912 1 1050 . 1 1 82 82 LEU N N 15 120.641 0.05 . 1 . . . . . . . . 5912 1 1051 . 1 1 82 82 LEU H H 1 8.351 0.005 . 1 . . . . . . . . 5912 1 1052 . 1 1 82 82 LEU C C 13 178.42 0.05 . 1 . . . . . . . . 5912 1 1053 . 1 1 83 83 ASN CA C 13 57.421 0.4 . 1 . . . . . . . . 5912 1 1054 . 1 1 83 83 ASN HA H 1 4.295 0.02 . 1 . . . . . . . . 5912 1 1055 . 1 1 83 83 ASN CB C 13 38.04 0.4 . 1 . . . . . . . . 5912 1 1056 . 1 1 83 83 ASN HB2 H 1 2.769 0.02 . 2 . . . . . . . . 5912 1 1057 . 1 1 83 83 ASN HB3 H 1 2.865 0.02 . 2 . . . . . . . . 5912 1 1058 . 1 1 83 83 ASN N N 15 119.921 0.05 . 1 . . . . . . . . 5912 1 1059 . 1 1 83 83 ASN H H 1 8.411 0.005 . 1 . . . . . . . . 5912 1 1060 . 1 1 83 83 ASN C C 13 177.609 0.05 . 1 . . . . . . . . 5912 1 1061 . 1 1 84 84 HIS CA C 13 58.389 0.4 . 1 . . . . . . . . 5912 1 1062 . 1 1 84 84 HIS HA H 1 4.666 0.02 . 1 . . . . . . . . 5912 1 1063 . 1 1 84 84 HIS CB C 13 28.891 0.4 . 1 . . . . . . . . 5912 1 1064 . 1 1 84 84 HIS CD2 C 13 120.142 0.05 . 1 . . . . . . . . 5912 1 1065 . 1 1 84 84 HIS HD1 H 1 7.299 0.005 . 2 . . . . . . . . 5912 1 1066 . 1 1 84 84 HIS CE1 C 13 139.013 0.05 . 1 . . . . . . . . 5912 1 1067 . 1 1 84 84 HIS HE1 H 1 8.21 0.005 . 1 . . . . . . . . 5912 1 1068 . 1 1 84 84 HIS HB2 H 1 3.373 0.02 . 1 . . . . . . . . 5912 1 1069 . 1 1 84 84 HIS HB3 H 1 3.373 0.02 . 1 . . . . . . . . 5912 1 1070 . 1 1 84 84 HIS C C 13 177.45 0.05 . 1 . . . . . . . . 5912 1 1071 . 1 1 85 85 PHE CA C 13 60.204 0.4 . 1 . . . . . . . . 5912 1 1072 . 1 1 85 85 PHE HA H 1 3.932 0.02 . 1 . . . . . . . . 5912 1 1073 . 1 1 85 85 PHE CB C 13 38.369 0.4 . 1 . . . . . . . . 5912 1 1074 . 1 1 85 85 PHE HB2 H 1 1.789 0.02 . 2 . . . . . . . . 5912 1 1075 . 1 1 85 85 PHE HB3 H 1 2.697 0.02 . 2 . . . . . . . . 5912 1 1076 . 1 1 85 85 PHE CZ C 13 129.205 0.05 . 1 . . . . . . . . 5912 1 1077 . 1 1 85 85 PHE HZ H 1 6.931 0.005 . 1 . . . . . . . . 5912 1 1078 . 1 1 85 85 PHE CD2 C 13 131.73 0.05 . 1 . . . . . . . . 5912 1 1079 . 1 1 85 85 PHE HD1 H 1 6.788 0.005 . 1 . . . . . . . . 5912 1 1080 . 1 1 85 85 PHE CE2 C 13 130.939 0.05 . 1 . . . . . . . . 5912 1 1081 . 1 1 85 85 PHE HE2 H 1 7.241 0.005 . 1 . . . . . . . . 5912 1 1082 . 1 1 85 85 PHE N N 15 118.945 0.05 . 1 . . . . . . . . 5912 1 1083 . 1 1 85 85 PHE H H 1 7.263 0.005 . 1 . . . . . . . . 5912 1 1084 . 1 1 85 85 PHE C C 13 176.386 0.05 . 1 . . . . . . . . 5912 1 1085 . 1 1 86 86 TRP CA C 13 59.381 0.4 . 1 . . . . . . . . 5912 1 1086 . 1 1 86 86 TRP HA H 1 3.854 0.02 . 1 . . . . . . . . 5912 1 1087 . 1 1 86 86 TRP CB C 13 29.863 0.4 . 1 . . . . . . . . 5912 1 1088 . 1 1 86 86 TRP HB2 H 1 3.192 0.02 . 2 . . . . . . . . 5912 1 1089 . 1 1 86 86 TRP HB3 H 1 3.318 0.02 . 2 . . . . . . . . 5912 1 1090 . 1 1 86 86 TRP CD1 C 13 128.02 0.05 . 1 . . . . . . . . 5912 1 1091 . 1 1 86 86 TRP HD1 H 1 7.106 0.005 . 2 . . . . . . . . 5912 1 1092 . 1 1 86 86 TRP HE1 H 1 10.133 0.005 . 1 . . . . . . . . 5912 1 1093 . 1 1 86 86 TRP CE3 C 13 120 0.05 . 1 . . . . . . . . 5912 1 1094 . 1 1 86 86 TRP HE3 H 1 7.236 0.005 . 1 . . . . . . . . 5912 1 1095 . 1 1 86 86 TRP CZ2 C 13 114.769 0.05 . 1 . . . . . . . . 5912 1 1096 . 1 1 86 86 TRP HZ2 H 1 7.02 0.005 . 1 . . . . . . . . 5912 1 1097 . 1 1 86 86 TRP CZ3 C 13 119.775 0.05 . 1 . . . . . . . . 5912 1 1098 . 1 1 86 86 TRP HZ3 H 1 6.763 0.005 . 1 . . . . . . . . 5912 1 1099 . 1 1 86 86 TRP CH2 C 13 123.459 0.05 . 1 . . . . . . . . 5912 1 1100 . 1 1 86 86 TRP HH2 H 1 6.971 0.005 . 1 . . . . . . . . 5912 1 1101 . 1 1 86 86 TRP N N 15 120.211 0.05 . 1 . . . . . . . . 5912 1 1102 . 1 1 86 86 TRP H H 1 7.939 0.005 . 1 . . . . . . . . 5912 1 1103 . 1 1 86 86 TRP NE1 N 15 129.471 0.05 . 1 . . . . . . . . 5912 1 1104 . 1 1 86 86 TRP C C 13 176.73 0.05 . 1 . . . . . . . . 5912 1 1105 . 1 1 87 87 GLU CA C 13 59.165 0.4 . 1 . . . . . . . . 5912 1 1106 . 1 1 87 87 GLU HA H 1 3.868 0.02 . 1 . . . . . . . . 5912 1 1107 . 1 1 87 87 GLU CB C 13 29.589 0.05 . 1 . . . . . . . . 5912 1 1108 . 1 1 87 87 GLU HB2 H 1 2.037 0.005 . 2 . . . . . . . . 5912 1 1109 . 1 1 87 87 GLU HB3 H 1 2.161 0.005 . 2 . . . . . . . . 5912 1 1110 . 1 1 87 87 GLU CG C 13 36.56 0.05 . 1 . . . . . . . . 5912 1 1111 . 1 1 87 87 GLU HG2 H 1 2.354 0.005 . 2 . . . . . . . . 5912 1 1112 . 1 1 87 87 GLU HG3 H 1 2.475 0.005 . 2 . . . . . . . . 5912 1 1113 . 1 1 87 87 GLU N N 15 114.451 0.05 . 1 . . . . . . . . 5912 1 1114 . 1 1 87 87 GLU H H 1 7.894 0.005 . 1 . . . . . . . . 5912 1 1115 . 1 1 87 87 GLU C C 13 179.076 0.05 . 1 . . . . . . . . 5912 1 1116 . 1 1 88 88 ILE CA C 13 64.88 0.4 . 1 . . . . . . . . 5912 1 1117 . 1 1 88 88 ILE HA H 1 3.547 0.02 . 1 . . . . . . . . 5912 1 1118 . 1 1 88 88 ILE CB C 13 37.889 0.4 . 1 . . . . . . . . 5912 1 1119 . 1 1 88 88 ILE HB H 1 1.775 0.02 . 1 . . . . . . . . 5912 1 1120 . 1 1 88 88 ILE CG1 C 13 28.185 0.4 . 1 . . . . . . . . 5912 1 1121 . 1 1 88 88 ILE HG12 H 1 1.019 0.02 . 2 . . . . . . . . 5912 1 1122 . 1 1 88 88 ILE HG13 H 1 1.806 0.02 . 2 . . . . . . . . 5912 1 1123 . 1 1 88 88 ILE CG2 C 13 18.259 0.4 . 1 . . . . . . . . 5912 1 1124 . 1 1 88 88 ILE HG21 H 1 0.854 0.02 . 1 . . . . . . . . 5912 1 1125 . 1 1 88 88 ILE HG22 H 1 0.854 0.02 . 1 . . . . . . . . 5912 1 1126 . 1 1 88 88 ILE HG23 H 1 0.854 0.02 . 1 . . . . . . . . 5912 1 1127 . 1 1 88 88 ILE CD1 C 13 14.404 0.4 . 1 . . . . . . . . 5912 1 1128 . 1 1 88 88 ILE HD11 H 1 1.026 0.02 . 1 . . . . . . . . 5912 1 1129 . 1 1 88 88 ILE HD12 H 1 1.026 0.02 . 1 . . . . . . . . 5912 1 1130 . 1 1 88 88 ILE HD13 H 1 1.026 0.02 . 1 . . . . . . . . 5912 1 1131 . 1 1 88 88 ILE N N 15 119.579 0.05 . 1 . . . . . . . . 5912 1 1132 . 1 1 88 88 ILE H H 1 7.143 0.005 . 1 . . . . . . . . 5912 1 1133 . 1 1 88 88 ILE C C 13 177.896 0.05 . 1 . . . . . . . . 5912 1 1134 . 1 1 89 89 VAL CA C 13 67.19 0.4 . 1 . . . . . . . . 5912 1 1135 . 1 1 89 89 VAL HA H 1 2.9 0.02 . 1 . . . . . . . . 5912 1 1136 . 1 1 89 89 VAL CB C 13 30.986 0.4 . 1 . . . . . . . . 5912 1 1137 . 1 1 89 89 VAL HB H 1 1.175 0.02 . 1 . . . . . . . . 5912 1 1138 . 1 1 89 89 VAL CG1 C 13 20.507 0.4 . 2 . . . . . . . . 5912 1 1139 . 1 1 89 89 VAL HG11 H 1 0.097 0.02 . 2 . . . . . . . . 5912 1 1140 . 1 1 89 89 VAL HG12 H 1 0.097 0.02 . 2 . . . . . . . . 5912 1 1141 . 1 1 89 89 VAL HG13 H 1 0.097 0.02 . 2 . . . . . . . . 5912 1 1142 . 1 1 89 89 VAL CG2 C 13 23.365 0.4 . 2 . . . . . . . . 5912 1 1143 . 1 1 89 89 VAL HG21 H 1 0.042 0.02 . 2 . . . . . . . . 5912 1 1144 . 1 1 89 89 VAL HG22 H 1 0.042 0.02 . 2 . . . . . . . . 5912 1 1145 . 1 1 89 89 VAL HG23 H 1 0.042 0.02 . 2 . . . . . . . . 5912 1 1146 . 1 1 89 89 VAL N N 15 121.766 0.05 . 1 . . . . . . . . 5912 1 1147 . 1 1 89 89 VAL H H 1 6.735 0.005 . 1 . . . . . . . . 5912 1 1148 . 1 1 89 89 VAL C C 13 177.789 0.05 . 1 . . . . . . . . 5912 1 1149 . 1 1 90 90 VAL CA C 13 65.967 0.4 . 1 . . . . . . . . 5912 1 1150 . 1 1 90 90 VAL HA H 1 3.352 0.02 . 1 . . . . . . . . 5912 1 1151 . 1 1 90 90 VAL CB C 13 31.929 0.4 . 1 . . . . . . . . 5912 1 1152 . 1 1 90 90 VAL HB H 1 1.821 0.02 . 1 . . . . . . . . 5912 1 1153 . 1 1 90 90 VAL CG1 C 13 22.548 0.4 . 2 . . . . . . . . 5912 1 1154 . 1 1 90 90 VAL HG11 H 1 0.619 0.02 . 2 . . . . . . . . 5912 1 1155 . 1 1 90 90 VAL HG12 H 1 0.619 0.02 . 2 . . . . . . . . 5912 1 1156 . 1 1 90 90 VAL HG13 H 1 0.619 0.02 . 2 . . . . . . . . 5912 1 1157 . 1 1 90 90 VAL CG2 C 13 21.25 0.4 . 2 . . . . . . . . 5912 1 1158 . 1 1 90 90 VAL HG21 H 1 0.822 0.02 . 2 . . . . . . . . 5912 1 1159 . 1 1 90 90 VAL HG22 H 1 0.822 0.02 . 2 . . . . . . . . 5912 1 1160 . 1 1 90 90 VAL HG23 H 1 0.822 0.02 . 2 . . . . . . . . 5912 1 1161 . 1 1 90 90 VAL N N 15 116.901 0.05 . 1 . . . . . . . . 5912 1 1162 . 1 1 90 90 VAL H H 1 7.761 0.005 . 1 . . . . . . . . 5912 1 1163 . 1 1 90 90 VAL C C 13 180.647 0.05 . 1 . . . . . . . . 5912 1 1164 . 1 1 91 91 GLN N N 15 120.772 0.05 . 1 . . . . . . . . 5912 1 1165 . 1 1 91 91 GLN H H 1 8.102 0.005 . 1 . . . . . . . . 5912 1 1166 . 1 1 91 91 GLN CA C 13 58.722 0.05 . 1 . . . . . . . . 5912 1 1167 . 1 1 91 91 GLN HA H 1 3.933 0.005 . 1 . . . . . . . . 5912 1 1168 . 1 1 91 91 GLN CB C 13 28.318 0.05 . 1 . . . . . . . . 5912 1 1169 . 1 1 91 91 GLN CG C 13 34.209 0.05 . 1 . . . . . . . . 5912 1 1170 . 1 1 91 91 GLN HB2 H 1 2.117 0.005 . 1 . . . . . . . . 5912 1 1171 . 1 1 91 91 GLN HB3 H 1 2.117 0.005 . 1 . . . . . . . . 5912 1 1172 . 1 1 91 91 GLN HG2 H 1 2.45 0.005 . 1 . . . . . . . . 5912 1 1173 . 1 1 91 91 GLN HG3 H 1 2.45 0.005 . 1 . . . . . . . . 5912 1 1174 . 1 1 91 91 GLN C C 13 178.163 0.05 . 1 . . . . . . . . 5912 1 1175 . 1 1 92 92 ASP CA C 13 55.368 0.4 . 1 . . . . . . . . 5912 1 1176 . 1 1 92 92 ASP HA H 1 4.535 0.02 . 1 . . . . . . . . 5912 1 1177 . 1 1 92 92 ASP CB C 13 41.463 0.4 . 1 . . . . . . . . 5912 1 1178 . 1 1 92 92 ASP HB2 H 1 2.524 0.02 . 2 . . . . . . . . 5912 1 1179 . 1 1 92 92 ASP HB3 H 1 2.59 0.02 . 2 . . . . . . . . 5912 1 1180 . 1 1 92 92 ASP N N 15 118.286 0.05 . 1 . . . . . . . . 5912 1 1181 . 1 1 92 92 ASP H H 1 8.084 0.005 . 1 . . . . . . . . 5912 1 1182 . 1 1 92 92 ASP C C 13 176.334 0.05 . 1 . . . . . . . . 5912 1 1183 . 1 1 93 93 GLY CA C 13 45.932 0.4 . 1 . . . . . . . . 5912 1 1184 . 1 1 93 93 GLY HA2 H 1 3.526 0.02 . 1 . . . . . . . . 5912 1 1185 . 1 1 93 93 GLY HA3 H 1 3.914 0.02 . 1 . . . . . . . . 5912 1 1186 . 1 1 93 93 GLY N N 15 108.156 0.05 . 1 . . . . . . . . 5912 1 1187 . 1 1 93 93 GLY H H 1 7.944 0.005 . 1 . . . . . . . . 5912 1 1188 . 1 1 93 93 GLY C C 13 175.49 0.05 . 1 . . . . . . . . 5912 1 1189 . 1 1 94 94 ILE CA C 13 62.322 0.4 . 1 . . . . . . . . 5912 1 1190 . 1 1 94 94 ILE HA H 1 3.674 0.02 . 1 . . . . . . . . 5912 1 1191 . 1 1 94 94 ILE CB C 13 37.355 0.4 . 1 . . . . . . . . 5912 1 1192 . 1 1 94 94 ILE HB H 1 1.826 0.02 . 1 . . . . . . . . 5912 1 1193 . 1 1 94 94 ILE CG1 C 13 27.976 0.4 . 1 . . . . . . . . 5912 1 1194 . 1 1 94 94 ILE HG12 H 1 1.088 0.02 . 2 . . . . . . . . 5912 1 1195 . 1 1 94 94 ILE HG13 H 1 1.661 0.02 . 2 . . . . . . . . 5912 1 1196 . 1 1 94 94 ILE CG2 C 13 17.852 0.4 . 1 . . . . . . . . 5912 1 1197 . 1 1 94 94 ILE HG21 H 1 0.924 0.02 . 1 . . . . . . . . 5912 1 1198 . 1 1 94 94 ILE HG22 H 1 0.924 0.02 . 1 . . . . . . . . 5912 1 1199 . 1 1 94 94 ILE HG23 H 1 0.924 0.02 . 1 . . . . . . . . 5912 1 1200 . 1 1 94 94 ILE CD1 C 13 14.228 0.4 . 1 . . . . . . . . 5912 1 1201 . 1 1 94 94 ILE HD11 H 1 0.956 0.02 . 1 . . . . . . . . 5912 1 1202 . 1 1 94 94 ILE HD12 H 1 0.956 0.02 . 1 . . . . . . . . 5912 1 1203 . 1 1 94 94 ILE HD13 H 1 0.956 0.02 . 1 . . . . . . . . 5912 1 1204 . 1 1 94 94 ILE N N 15 122.038 0.05 . 1 . . . . . . . . 5912 1 1205 . 1 1 94 94 ILE H H 1 7.211 0.005 . 1 . . . . . . . . 5912 1 1206 . 1 1 94 94 ILE C C 13 171.9 0.05 . 1 . . . . . . . . 5912 1 1207 . 1 1 95 95 THR CA C 13 57.19 0.4 . 1 . . . . . . . . 5912 1 1208 . 1 1 95 95 THR HA H 1 4.835 0.02 . 1 . . . . . . . . 5912 1 1209 . 1 1 95 95 THR CB C 13 71.4 0.4 . 1 . . . . . . . . 5912 1 1210 . 1 1 95 95 THR HB H 1 4.096 0.02 . 1 . . . . . . . . 5912 1 1211 . 1 1 95 95 THR CG2 C 13 19.707 0.4 . 1 . . . . . . . . 5912 1 1212 . 1 1 95 95 THR HG21 H 1 1.253 0.02 . 1 . . . . . . . . 5912 1 1213 . 1 1 95 95 THR HG22 H 1 1.253 0.02 . 1 . . . . . . . . 5912 1 1214 . 1 1 95 95 THR HG23 H 1 1.253 0.02 . 1 . . . . . . . . 5912 1 1215 . 1 1 95 95 THR N N 15 115.892 0.05 . 1 . . . . . . . . 5912 1 1216 . 1 1 95 95 THR H H 1 7.341 0.005 . 1 . . . . . . . . 5912 1 1217 . 1 1 95 95 THR C C 13 174.809 0.05 . 1 . . . . . . . . 5912 1 1218 . 1 1 96 96 LEU CA C 13 54.86 0.4 . 1 . . . . . . . . 5912 1 1219 . 1 1 96 96 LEU HA H 1 3.968 0.02 . 1 . . . . . . . . 5912 1 1220 . 1 1 96 96 LEU CB C 13 43.529 0.4 . 1 . . . . . . . . 5912 1 1221 . 1 1 96 96 LEU HB2 H 1 1.137 0.02 . 2 . . . . . . . . 5912 1 1222 . 1 1 96 96 LEU HB3 H 1 1.223 0.02 . 2 . . . . . . . . 5912 1 1223 . 1 1 96 96 LEU CD1 C 13 22.783 0.4 . 2 . . . . . . . . 5912 1 1224 . 1 1 96 96 LEU HD11 H 1 0.356 0.02 . 2 . . . . . . . . 5912 1 1225 . 1 1 96 96 LEU HD12 H 1 0.356 0.02 . 2 . . . . . . . . 5912 1 1226 . 1 1 96 96 LEU HD13 H 1 0.356 0.02 . 2 . . . . . . . . 5912 1 1227 . 1 1 96 96 LEU CD2 C 13 26.422 0.4 . 2 . . . . . . . . 5912 1 1228 . 1 1 96 96 LEU HD21 H 1 0.612 0.02 . 2 . . . . . . . . 5912 1 1229 . 1 1 96 96 LEU HD22 H 1 0.612 0.02 . 2 . . . . . . . . 5912 1 1230 . 1 1 96 96 LEU HD23 H 1 0.612 0.02 . 2 . . . . . . . . 5912 1 1231 . 1 1 96 96 LEU N N 15 121.425 0.05 . 1 . . . . . . . . 5912 1 1232 . 1 1 96 96 LEU H H 1 8.08 0.005 . 1 . . . . . . . . 5912 1 1233 . 1 1 96 96 LEU C C 13 176.465 0.05 . 1 . . . . . . . . 5912 1 1234 . 1 1 97 97 ILE CA C 13 62.021 0.4 . 1 . . . . . . . . 5912 1 1235 . 1 1 97 97 ILE HA H 1 4.171 0.02 . 1 . . . . . . . . 5912 1 1236 . 1 1 97 97 ILE CB C 13 39.386 0.4 . 1 . . . . . . . . 5912 1 1237 . 1 1 97 97 ILE HB H 1 1.634 0.02 . 1 . . . . . . . . 5912 1 1238 . 1 1 97 97 ILE CG1 C 13 28.108 0.4 . 1 . . . . . . . . 5912 1 1239 . 1 1 97 97 ILE HG12 H 1 0.586 0.02 . 2 . . . . . . . . 5912 1 1240 . 1 1 97 97 ILE HG13 H 1 1.842 0.02 . 2 . . . . . . . . 5912 1 1241 . 1 1 97 97 ILE CG2 C 13 19.646 0.4 . 1 . . . . . . . . 5912 1 1242 . 1 1 97 97 ILE HG21 H 1 0.932 0.02 . 1 . . . . . . . . 5912 1 1243 . 1 1 97 97 ILE HG22 H 1 0.932 0.02 . 1 . . . . . . . . 5912 1 1244 . 1 1 97 97 ILE HG23 H 1 0.932 0.02 . 1 . . . . . . . . 5912 1 1245 . 1 1 97 97 ILE CD1 C 13 16.1 0.4 . 1 . . . . . . . . 5912 1 1246 . 1 1 97 97 ILE HD11 H 1 0.79 0.02 . 1 . . . . . . . . 5912 1 1247 . 1 1 97 97 ILE HD12 H 1 0.79 0.02 . 1 . . . . . . . . 5912 1 1248 . 1 1 97 97 ILE HD13 H 1 0.79 0.02 . 1 . . . . . . . . 5912 1 1249 . 1 1 97 97 ILE N N 15 122.882 0.05 . 1 . . . . . . . . 5912 1 1250 . 1 1 97 97 ILE H H 1 9.943 0.005 . 1 . . . . . . . . 5912 1 1251 . 1 1 97 97 ILE C C 13 178.982 0.05 . 1 . . . . . . . . 5912 1 1252 . 1 1 98 98 THR CA C 13 61.038 0.4 . 1 . . . . . . . . 5912 1 1253 . 1 1 98 98 THR HA H 1 4.535 0.02 . 1 . . . . . . . . 5912 1 1254 . 1 1 98 98 THR CB C 13 72.888 0.4 . 1 . . . . . . . . 5912 1 1255 . 1 1 98 98 THR HB H 1 4.562 0.02 . 1 . . . . . . . . 5912 1 1256 . 1 1 98 98 THR CG2 C 13 22.922 0.4 . 1 . . . . . . . . 5912 1 1257 . 1 1 98 98 THR HG21 H 1 1.113 0.02 . 1 . . . . . . . . 5912 1 1258 . 1 1 98 98 THR HG22 H 1 1.113 0.02 . 1 . . . . . . . . 5912 1 1259 . 1 1 98 98 THR HG23 H 1 1.113 0.02 . 1 . . . . . . . . 5912 1 1260 . 1 1 98 98 THR N N 15 122.099 0.05 . 1 . . . . . . . . 5912 1 1261 . 1 1 98 98 THR H H 1 8.791 0.005 . 1 . . . . . . . . 5912 1 1262 . 1 1 98 98 THR C C 13 175.873 0.05 . 1 . . . . . . . . 5912 1 1263 . 1 1 99 99 LYS CA C 13 57.758 0.4 . 1 . . . . . . . . 5912 1 1264 . 1 1 99 99 LYS HA H 1 4.511 0.02 . 1 . . . . . . . . 5912 1 1265 . 1 1 99 99 LYS CB C 13 32.663 0.4 . 1 . . . . . . . . 5912 1 1266 . 1 1 99 99 LYS CG C 13 23.783 0.4 . 1 . . . . . . . . 5912 1 1267 . 1 1 99 99 LYS HG2 H 1 1.394 0.02 . 2 . . . . . . . . 5912 1 1268 . 1 1 99 99 LYS HG3 H 1 1.491 0.02 . 2 . . . . . . . . 5912 1 1269 . 1 1 99 99 LYS CE C 13 41.992 0.4 . 1 . . . . . . . . 5912 1 1270 . 1 1 99 99 LYS HB2 H 1 1.836 0.02 . 1 . . . . . . . . 5912 1 1271 . 1 1 99 99 LYS HB3 H 1 1.836 0.02 . 1 . . . . . . . . 5912 1 1272 . 1 1 99 99 LYS HD2 H 1 1.663 0.02 . 1 . . . . . . . . 5912 1 1273 . 1 1 99 99 LYS HD3 H 1 1.663 0.02 . 1 . . . . . . . . 5912 1 1274 . 1 1 99 99 LYS HE2 H 1 3.014 0.02 . 1 . . . . . . . . 5912 1 1275 . 1 1 99 99 LYS HE3 H 1 3.014 0.02 . 1 . . . . . . . . 5912 1 1276 . 1 1 99 99 LYS N N 15 120.025 0.05 . 1 . . . . . . . . 5912 1 1277 . 1 1 99 99 LYS H H 1 8.696 0.005 . 1 . . . . . . . . 5912 1 1278 . 1 1 99 99 LYS C C 13 177.596 0.05 . 1 . . . . . . . . 5912 1 1279 . 1 1 100 100 GLU CA C 13 58.592 0.4 . 1 . . . . . . . . 5912 1 1280 . 1 1 100 100 GLU HA H 1 4.052 0.02 . 1 . . . . . . . . 5912 1 1281 . 1 1 100 100 GLU CB C 13 29.393 0.4 . 1 . . . . . . . . 5912 1 1282 . 1 1 100 100 GLU HB2 H 1 1.906 0.02 . 2 . . . . . . . . 5912 1 1283 . 1 1 100 100 GLU HB3 H 1 1.978 0.02 . 2 . . . . . . . . 5912 1 1284 . 1 1 100 100 GLU CG C 13 37.297 0.4 . 1 . . . . . . . . 5912 1 1285 . 1 1 100 100 GLU HG2 H 1 2.256 0.02 . 2 . . . . . . . . 5912 1 1286 . 1 1 100 100 GLU HG3 H 1 2.347 0.02 . 2 . . . . . . . . 5912 1 1287 . 1 1 100 100 GLU C C 13 178.03 0.05 . 1 . . . . . . . . 5912 1 1288 . 1 1 101 101 GLU CA C 13 57.368 0.4 . 1 . . . . . . . . 5912 1 1289 . 1 1 101 101 GLU HA H 1 4.141 0.02 . 1 . . . . . . . . 5912 1 1290 . 1 1 101 101 GLU CB C 13 32.693 0.4 . 1 . . . . . . . . 5912 1 1291 . 1 1 101 101 GLU HB2 H 1 1.926 0.02 . 2 . . . . . . . . 5912 1 1292 . 1 1 101 101 GLU HB3 H 1 2.326 0.02 . 2 . . . . . . . . 5912 1 1293 . 1 1 101 101 GLU CG C 13 37.685 0.4 . 1 . . . . . . . . 5912 1 1294 . 1 1 101 101 GLU HG2 H 1 2.098 0.02 . 2 . . . . . . . . 5912 1 1295 . 1 1 101 101 GLU HG3 H 1 2.296 0.02 . 2 . . . . . . . . 5912 1 1296 . 1 1 101 101 GLU N N 15 118.082 0.05 . 1 . . . . . . . . 5912 1 1297 . 1 1 101 101 GLU H H 1 7.472 0.005 . 1 . . . . . . . . 5912 1 1298 . 1 1 101 101 GLU C C 13 176.756 0.05 . 1 . . . . . . . . 5912 1 1299 . 1 1 102 102 ALA CA C 13 52.239 0.4 . 1 . . . . . . . . 5912 1 1300 . 1 1 102 102 ALA HA H 1 4.535 0.02 . 1 . . . . . . . . 5912 1 1301 . 1 1 102 102 ALA CB C 13 21.526 0.4 . 1 . . . . . . . . 5912 1 1302 . 1 1 102 102 ALA HB1 H 1 1.312 0.02 . 1 . . . . . . . . 5912 1 1303 . 1 1 102 102 ALA HB2 H 1 1.312 0.02 . 1 . . . . . . . . 5912 1 1304 . 1 1 102 102 ALA HB3 H 1 1.312 0.02 . 1 . . . . . . . . 5912 1 1305 . 1 1 102 102 ALA N N 15 121.921 0.05 . 1 . . . . . . . . 5912 1 1306 . 1 1 102 102 ALA H H 1 8.018 0.005 . 1 . . . . . . . . 5912 1 1307 . 1 1 102 102 ALA C C 13 176.816 0.05 . 1 . . . . . . . . 5912 1 1308 . 1 1 103 103 SER CA C 13 61.16 0.4 . 1 . . . . . . . . 5912 1 1309 . 1 1 103 103 SER HA H 1 4.319 0.02 . 1 . . . . . . . . 5912 1 1310 . 1 1 103 103 SER CB C 13 63.452 0.4 . 1 . . . . . . . . 5912 1 1311 . 1 1 103 103 SER HB2 H 1 3.96 0.02 . 1 . . . . . . . . 5912 1 1312 . 1 1 103 103 SER HB3 H 1 3.96 0.02 . 1 . . . . . . . . 5912 1 1313 . 1 1 103 103 SER N N 15 117.543 0.05 . 1 . . . . . . . . 5912 1 1314 . 1 1 103 103 SER H H 1 8.576 0.005 . 1 . . . . . . . . 5912 1 1315 . 1 1 103 103 SER C C 13 175.586 0.05 . 1 . . . . . . . . 5912 1 1316 . 1 1 104 104 GLY CA C 13 45.593 0.4 . 1 . . . . . . . . 5912 1 1317 . 1 1 104 104 GLY HA2 H 1 3.829 0.02 . 1 . . . . . . . . 5912 1 1318 . 1 1 104 104 GLY HA3 H 1 4.132 0.02 . 1 . . . . . . . . 5912 1 1319 . 1 1 104 104 GLY N N 15 109.556 0.05 . 1 . . . . . . . . 5912 1 1320 . 1 1 104 104 GLY H H 1 8.459 0.005 . 1 . . . . . . . . 5912 1 1321 . 1 1 104 104 GLY C C 13 175.357 0.05 . 1 . . . . . . . . 5912 1 1322 . 1 1 105 105 SER CA C 13 56.311 0.4 . 1 . . . . . . . . 5912 1 1323 . 1 1 105 105 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 5912 1 1324 . 1 1 105 105 SER CB C 13 64.147 0.4 . 1 . . . . . . . . 5912 1 1325 . 1 1 105 105 SER HB2 H 1 3.456 0.02 . 2 . . . . . . . . 5912 1 1326 . 1 1 105 105 SER HB3 H 1 3.734 0.02 . 2 . . . . . . . . 5912 1 1327 . 1 1 105 105 SER N N 15 113.376 0.05 . 1 . . . . . . . . 5912 1 1328 . 1 1 105 105 SER H H 1 7.733 0.005 . 1 . . . . . . . . 5912 1 1329 . 1 1 105 105 SER C C 13 174.84 0.05 . 1 . . . . . . . . 5912 1 1330 . 1 1 106 106 SER CA C 13 57.944 0.4 . 1 . . . . . . . . 5912 1 1331 . 1 1 106 106 SER HA H 1 4.62 0.02 . 1 . . . . . . . . 5912 1 1332 . 1 1 106 106 SER CB C 13 64.158 0.4 . 1 . . . . . . . . 5912 1 1333 . 1 1 106 106 SER HB2 H 1 3.926 0.02 . 2 . . . . . . . . 5912 1 1334 . 1 1 106 106 SER HB3 H 1 4.02 0.02 . 2 . . . . . . . . 5912 1 1335 . 1 1 106 106 SER N N 15 119.803 0.05 . 1 . . . . . . . . 5912 1 1336 . 1 1 106 106 SER H H 1 8.658 0.005 . 1 . . . . . . . . 5912 1 1337 . 1 1 106 106 SER C C 13 174.921 0.05 . 1 . . . . . . . . 5912 1 1338 . 1 1 107 107 VAL CA C 13 62.664 0.4 . 1 . . . . . . . . 5912 1 1339 . 1 1 107 107 VAL HA H 1 4.046 0.02 . 1 . . . . . . . . 5912 1 1340 . 1 1 107 107 VAL CB C 13 32.738 0.4 . 1 . . . . . . . . 5912 1 1341 . 1 1 107 107 VAL HB H 1 1.996 0.02 . 1 . . . . . . . . 5912 1 1342 . 1 1 107 107 VAL CG1 C 13 21.849 0.4 . 2 . . . . . . . . 5912 1 1343 . 1 1 107 107 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 5912 1 1344 . 1 1 107 107 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 5912 1 1345 . 1 1 107 107 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 5912 1 1346 . 1 1 107 107 VAL CG2 C 13 22.212 0.4 . 2 . . . . . . . . 5912 1 1347 . 1 1 107 107 VAL HG21 H 1 0.938 0.02 . 2 . . . . . . . . 5912 1 1348 . 1 1 107 107 VAL HG22 H 1 0.938 0.02 . 2 . . . . . . . . 5912 1 1349 . 1 1 107 107 VAL HG23 H 1 0.938 0.02 . 2 . . . . . . . . 5912 1 1350 . 1 1 107 107 VAL N N 15 125.665 0.05 . 1 . . . . . . . . 5912 1 1351 . 1 1 107 107 VAL H H 1 8.375 0.005 . 1 . . . . . . . . 5912 1 1352 . 1 1 107 107 VAL C C 13 176.508 0.05 . 1 . . . . . . . . 5912 1 1353 . 1 1 108 108 THR CA C 13 60.612 0.4 . 1 . . . . . . . . 5912 1 1354 . 1 1 108 108 THR HA H 1 4.622 0.02 . 1 . . . . . . . . 5912 1 1355 . 1 1 108 108 THR CB C 13 71.772 0.4 . 1 . . . . . . . . 5912 1 1356 . 1 1 108 108 THR HB H 1 4.785 0.02 . 1 . . . . . . . . 5912 1 1357 . 1 1 108 108 THR CG2 C 13 22.067 0.4 . 1 . . . . . . . . 5912 1 1358 . 1 1 108 108 THR HG21 H 1 1.366 0.02 . 1 . . . . . . . . 5912 1 1359 . 1 1 108 108 THR HG22 H 1 1.366 0.02 . 1 . . . . . . . . 5912 1 1360 . 1 1 108 108 THR HG23 H 1 1.366 0.02 . 1 . . . . . . . . 5912 1 1361 . 1 1 108 108 THR N N 15 118.241 0.05 . 1 . . . . . . . . 5912 1 1362 . 1 1 108 108 THR H H 1 8.315 0.005 . 1 . . . . . . . . 5912 1 1363 . 1 1 108 108 THR C C 13 175.979 0.05 . 1 . . . . . . . . 5912 1 1364 . 1 1 109 109 ALA CA C 13 55.715 0.4 . 1 . . . . . . . . 5912 1 1365 . 1 1 109 109 ALA HA H 1 4.128 0.02 . 1 . . . . . . . . 5912 1 1366 . 1 1 109 109 ALA CB C 13 18.059 0.4 . 1 . . . . . . . . 5912 1 1367 . 1 1 109 109 ALA HB1 H 1 1.507 0.02 . 1 . . . . . . . . 5912 1 1368 . 1 1 109 109 ALA HB2 H 1 1.507 0.02 . 1 . . . . . . . . 5912 1 1369 . 1 1 109 109 ALA HB3 H 1 1.507 0.02 . 1 . . . . . . . . 5912 1 1370 . 1 1 109 109 ALA N N 15 124.146 0.05 . 1 . . . . . . . . 5912 1 1371 . 1 1 109 109 ALA H H 1 9.407 0.005 . 1 . . . . . . . . 5912 1 1372 . 1 1 109 109 ALA C C 13 180.982 0.05 . 1 . . . . . . . . 5912 1 1373 . 1 1 110 110 GLU CA C 13 59.696 0.4 . 1 . . . . . . . . 5912 1 1374 . 1 1 110 110 GLU HA H 1 4.031 0.02 . 1 . . . . . . . . 5912 1 1375 . 1 1 110 110 GLU CB C 13 29.348 0.4 . 1 . . . . . . . . 5912 1 1376 . 1 1 110 110 GLU HB2 H 1 1.963 0.02 . 2 . . . . . . . . 5912 1 1377 . 1 1 110 110 GLU HB3 H 1 2.102 0.02 . 2 . . . . . . . . 5912 1 1378 . 1 1 110 110 GLU CG C 13 36.603 0.4 . 1 . . . . . . . . 5912 1 1379 . 1 1 110 110 GLU HG2 H 1 2.325 0.02 . 1 . . . . . . . . 5912 1 1380 . 1 1 110 110 GLU HG3 H 1 2.325 0.02 . 1 . . . . . . . . 5912 1 1381 . 1 1 110 110 GLU N N 15 117.862 0.05 . 1 . . . . . . . . 5912 1 1382 . 1 1 110 110 GLU H H 1 8.611 0.005 . 1 . . . . . . . . 5912 1 1383 . 1 1 110 110 GLU C C 13 179.316 0.05 . 1 . . . . . . . . 5912 1 1384 . 1 1 111 111 GLU CA C 13 59.202 0.4 . 1 . . . . . . . . 5912 1 1385 . 1 1 111 111 GLU HA H 1 3.988 0.02 . 1 . . . . . . . . 5912 1 1386 . 1 1 111 111 GLU CB C 13 30.144 0.4 . 1 . . . . . . . . 5912 1 1387 . 1 1 111 111 GLU HB2 H 1 1.967 0.02 . 2 . . . . . . . . 5912 1 1388 . 1 1 111 111 GLU HB3 H 1 2.304 0.02 . 2 . . . . . . . . 5912 1 1389 . 1 1 111 111 GLU CG C 13 36.93 0.4 . 1 . . . . . . . . 5912 1 1390 . 1 1 111 111 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 5912 1 1391 . 1 1 111 111 GLU HG3 H 1 2.356 0.02 . 2 . . . . . . . . 5912 1 1392 . 1 1 111 111 GLU N N 15 121.508 0.05 . 1 . . . . . . . . 5912 1 1393 . 1 1 111 111 GLU H H 1 7.872 0.005 . 1 . . . . . . . . 5912 1 1394 . 1 1 111 111 GLU C C 13 179.863 0.05 . 1 . . . . . . . . 5912 1 1395 . 1 1 112 112 ALA CA C 13 54.859 0.4 . 1 . . . . . . . . 5912 1 1396 . 1 1 112 112 ALA HA H 1 3.978 0.02 . 1 . . . . . . . . 5912 1 1397 . 1 1 112 112 ALA CB C 13 18.605 0.4 . 1 . . . . . . . . 5912 1 1398 . 1 1 112 112 ALA HB1 H 1 1.446 0.02 . 1 . . . . . . . . 5912 1 1399 . 1 1 112 112 ALA HB2 H 1 1.446 0.02 . 1 . . . . . . . . 5912 1 1400 . 1 1 112 112 ALA HB3 H 1 1.446 0.02 . 1 . . . . . . . . 5912 1 1401 . 1 1 112 112 ALA N N 15 122.705 0.05 . 1 . . . . . . . . 5912 1 1402 . 1 1 112 112 ALA H H 1 8.307 0.005 . 1 . . . . . . . . 5912 1 1403 . 1 1 112 112 ALA C C 13 180.142 0.05 . 1 . . . . . . . . 5912 1 1404 . 1 1 113 113 LYS N N 15 119.916 0.05 . 1 . . . . . . . . 5912 1 1405 . 1 1 113 113 LYS H H 1 7.963 0.005 . 1 . . . . . . . . 5912 1 1406 . 1 1 113 113 LYS CA C 13 58.959 0.05 . 1 . . . . . . . . 5912 1 1407 . 1 1 113 113 LYS HA H 1 4.211 0.02 . 1 . . . . . . . . 5912 1 1408 . 1 1 113 113 LYS C C 13 179.629 0.05 . 1 . . . . . . . . 5912 1 1409 . 1 1 113 113 LYS CB C 13 32.308 0.05 . 1 . . . . . . . . 5912 1 1410 . 1 1 113 113 LYS HB2 H 1 1.921 0.02 . 1 . . . . . . . . 5912 1 1411 . 1 1 113 113 LYS HB3 H 1 1.921 0.02 . 1 . . . . . . . . 5912 1 1412 . 1 1 113 113 LYS CG C 13 25.046 0.3 . 1 . . . . . . . . 5912 1 1413 . 1 1 113 113 LYS CD C 13 29.334 0.3 . 1 . . . . . . . . 5912 1 1414 . 1 1 114 114 LYS HA H 1 4.061 0.02 . 1 . . . . . . . . 5912 1 1415 . 1 1 114 114 LYS N N 15 120.496 0.05 . 1 . . . . . . . . 5912 1 1416 . 1 1 114 114 LYS H H 1 8.107 0.005 . 1 . . . . . . . . 5912 1 1417 . 1 1 114 114 LYS CA C 13 58.472 0.05 . 1 . . . . . . . . 5912 1 1418 . 1 1 114 114 LYS C C 13 178.455 0.05 . 1 . . . . . . . . 5912 1 1419 . 1 1 114 114 LYS CB C 13 32.308 0.05 . 1 . . . . . . . . 5912 1 1420 . 1 1 114 114 LYS HB2 H 1 1.926 0.05 . 1 . . . . . . . . 5912 1 1421 . 1 1 114 114 LYS HB3 H 1 1.926 0.05 . 1 . . . . . . . . 5912 1 1422 . 1 1 114 114 LYS HG2 H 1 1.561 0.05 . 1 . . . . . . . . 5912 1 1423 . 1 1 114 114 LYS HG3 H 1 1.561 0.05 . 1 . . . . . . . . 5912 1 1424 . 1 1 114 114 LYS HD2 H 1 1.711 0.05 . 1 . . . . . . . . 5912 1 1425 . 1 1 114 114 LYS HD3 H 1 1.711 0.05 . 1 . . . . . . . . 5912 1 1426 . 1 1 114 114 LYS CG C 13 25.217 0.3 . 1 . . . . . . . . 5912 1 1427 . 1 1 114 114 LYS CD C 13 29.311 0.3 . 1 . . . . . . . . 5912 1 1428 . 1 1 114 114 LYS CE C 13 42.112 0.3 . 1 . . . . . . . . 5912 1 1429 . 1 1 115 115 PHE CA C 13 60.927 0.4 . 1 . . . . . . . . 5912 1 1430 . 1 1 115 115 PHE HA H 1 4.271 0.02 . 1 . . . . . . . . 5912 1 1431 . 1 1 115 115 PHE CB C 13 39.441 0.4 . 1 . . . . . . . . 5912 1 1432 . 1 1 115 115 PHE HB2 H 1 3.15 0.02 . 2 . . . . . . . . 5912 1 1433 . 1 1 115 115 PHE HB3 H 1 3.258 0.02 . 2 . . . . . . . . 5912 1 1434 . 1 1 115 115 PHE CZ C 13 128.821 0.05 . 1 . . . . . . . . 5912 1 1435 . 1 1 115 115 PHE HZ H 1 7.235 0.005 . 1 . . . . . . . . 5912 1 1436 . 1 1 115 115 PHE CD2 C 13 132.658 0.05 . 1 . . . . . . . . 5912 1 1437 . 1 1 115 115 PHE HD2 H 1 7.432 0.005 . 1 . . . . . . . . 5912 1 1438 . 1 1 115 115 PHE CE2 C 13 131.097 0.05 . 1 . . . . . . . . 5912 1 1439 . 1 1 115 115 PHE HE2 H 1 7.322 0.005 . 1 . . . . . . . . 5912 1 1440 . 1 1 115 115 PHE N N 15 119.344 0.05 . 1 . . . . . . . . 5912 1 1441 . 1 1 115 115 PHE H H 1 7.849 0.005 . 1 . . . . . . . . 5912 1 1442 . 1 1 116 116 LEU CA C 13 54.494 0.4 . 1 . . . . . . . . 5912 1 1443 . 1 1 116 116 LEU HA H 1 4.366 0.02 . 1 . . . . . . . . 5912 1 1444 . 1 1 116 116 LEU CB C 13 43.276 0.4 . 1 . . . . . . . . 5912 1 1445 . 1 1 116 116 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 5912 1 1446 . 1 1 116 116 LEU HB3 H 1 1.802 0.02 . 2 . . . . . . . . 5912 1 1447 . 1 1 116 116 LEU CG C 13 26.955 0.4 . 1 . . . . . . . . 5912 1 1448 . 1 1 116 116 LEU HG H 1 1.836 0.02 . 1 . . . . . . . . 5912 1 1449 . 1 1 116 116 LEU CD1 C 13 22.81 0.4 . 2 . . . . . . . . 5912 1 1450 . 1 1 116 116 LEU HD11 H 1 0.888 0.02 . 2 . . . . . . . . 5912 1 1451 . 1 1 116 116 LEU HD12 H 1 0.888 0.02 . 2 . . . . . . . . 5912 1 1452 . 1 1 116 116 LEU HD13 H 1 0.888 0.02 . 2 . . . . . . . . 5912 1 1453 . 1 1 116 116 LEU CD2 C 13 25.457 0.4 . 2 . . . . . . . . 5912 1 1454 . 1 1 116 116 LEU HD21 H 1 0.904 0.02 . 2 . . . . . . . . 5912 1 1455 . 1 1 116 116 LEU HD22 H 1 0.904 0.02 . 2 . . . . . . . . 5912 1 1456 . 1 1 116 116 LEU HD23 H 1 0.904 0.02 . 2 . . . . . . . . 5912 1 1457 . 1 1 116 116 LEU C C 13 176.713 0.05 . 1 . . . . . . . . 5912 1 1458 . 1 1 117 117 ALA CA C 13 50.625 0.4 . 1 . . . . . . . . 5912 1 1459 . 1 1 117 117 ALA HA H 1 4.593 0.02 . 1 . . . . . . . . 5912 1 1460 . 1 1 117 117 ALA CB C 13 18.389 0.4 . 1 . . . . . . . . 5912 1 1461 . 1 1 117 117 ALA HB1 H 1 1.4 0.02 . 1 . . . . . . . . 5912 1 1462 . 1 1 117 117 ALA HB2 H 1 1.4 0.02 . 1 . . . . . . . . 5912 1 1463 . 1 1 117 117 ALA HB3 H 1 1.4 0.02 . 1 . . . . . . . . 5912 1 1464 . 1 1 117 117 ALA N N 15 124.088 0.05 . 1 . . . . . . . . 5912 1 1465 . 1 1 117 117 ALA H H 1 7.586 0.005 . 1 . . . . . . . . 5912 1 1466 . 1 1 117 117 ALA C C 13 175.206 0.05 . 1 . . . . . . . . 5912 1 1467 . 1 1 118 118 PRO CA C 13 63.176 0.4 . 1 . . . . . . . . 5912 1 1468 . 1 1 118 118 PRO HA H 1 4.466 0.02 . 1 . . . . . . . . 5912 1 1469 . 1 1 118 118 PRO CB C 13 32.217 0.4 . 1 . . . . . . . . 5912 1 1470 . 1 1 118 118 PRO HB2 H 1 1.935 0.02 . 2 . . . . . . . . 5912 1 1471 . 1 1 118 118 PRO HB3 H 1 2.32 0.02 . 2 . . . . . . . . 5912 1 1472 . 1 1 118 118 PRO CG C 13 27.32 0.4 . 1 . . . . . . . . 5912 1 1473 . 1 1 118 118 PRO CD C 13 50.404 0.4 . 1 . . . . . . . . 5912 1 1474 . 1 1 118 118 PRO HD2 H 1 3.622 0.02 . 2 . . . . . . . . 5912 1 1475 . 1 1 118 118 PRO HD3 H 1 3.75 0.02 . 2 . . . . . . . . 5912 1 1476 . 1 1 118 118 PRO HG2 H 1 2.018 0.02 . 1 . . . . . . . . 5912 1 1477 . 1 1 118 118 PRO HG3 H 1 2.018 0.02 . 1 . . . . . . . . 5912 1 1478 . 1 1 118 118 PRO C C 13 177.466 0.05 . 1 . . . . . . . . 5912 1 1479 . 1 1 119 119 LYS CA C 13 56.189 0.4 . 1 . . . . . . . . 5912 1 1480 . 1 1 119 119 LYS HA H 1 4.294 0.02 . 1 . . . . . . . . 5912 1 1481 . 1 1 119 119 LYS CB C 13 33.032 0.4 . 1 . . . . . . . . 5912 1 1482 . 1 1 119 119 LYS HB2 H 1 1.709 0.02 . 2 . . . . . . . . 5912 1 1483 . 1 1 119 119 LYS HB3 H 1 1.843 0.02 . 2 . . . . . . . . 5912 1 1484 . 1 1 119 119 LYS CG C 13 24.675 0.4 . 1 . . . . . . . . 5912 1 1485 . 1 1 119 119 LYS CD C 13 28.947 0.4 . 1 . . . . . . . . 5912 1 1486 . 1 1 119 119 LYS CE C 13 42.134 0.4 . 1 . . . . . . . . 5912 1 1487 . 1 1 119 119 LYS HG2 H 1 1.421 0.02 . 1 . . . . . . . . 5912 1 1488 . 1 1 119 119 LYS HG3 H 1 1.421 0.02 . 1 . . . . . . . . 5912 1 1489 . 1 1 119 119 LYS HD2 H 1 1.628 0.02 . 1 . . . . . . . . 5912 1 1490 . 1 1 119 119 LYS HD3 H 1 1.628 0.02 . 1 . . . . . . . . 5912 1 1491 . 1 1 119 119 LYS HE2 H 1 2.935 0.02 . 1 . . . . . . . . 5912 1 1492 . 1 1 119 119 LYS HE3 H 1 2.935 0.02 . 1 . . . . . . . . 5912 1 1493 . 1 1 119 119 LYS N N 15 121.808 0.05 . 1 . . . . . . . . 5912 1 1494 . 1 1 119 119 LYS H H 1 8.452 0.005 . 1 . . . . . . . . 5912 1 1495 . 1 1 119 119 LYS C C 13 175.9 0.05 . 1 . . . . . . . . 5912 1 1496 . 1 1 120 120 ASP CA C 13 55.851 0.4 . 1 . . . . . . . . 5912 1 1497 . 1 1 120 120 ASP HA H 1 4.341 0.02 . 1 . . . . . . . . 5912 1 1498 . 1 1 120 120 ASP CB C 13 42.337 0.4 . 1 . . . . . . . . 5912 1 1499 . 1 1 120 120 ASP HB2 H 1 2.535 0.02 . 2 . . . . . . . . 5912 1 1500 . 1 1 120 120 ASP HB3 H 1 2.634 0.02 . 2 . . . . . . . . 5912 1 1501 . 1 1 120 120 ASP N N 15 126.82 0.05 . 1 . . . . . . . . 5912 1 1502 . 1 1 120 120 ASP H H 1 7.859 0.005 . 1 . . . . . . . . 5912 1 1503 . 1 1 120 120 ASP C C 13 180.886 0.05 . 1 . . . . . . . . 5912 1 stop_ save_