data_6345 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6345 _Entry.Title ; Solution Structure of YKR049C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-11 _Entry.Accession_date 2004-10-11 _Entry.Last_release_date 2007-03-22 _Entry.Original_release_date 2007-03-22 _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 Jin-Won Jung . . . 6345 2 Chul-Jin Lee . . . 6345 3 Adelinda Yee . . . 6345 4 Cheryl Arrowsmith . H. . 6345 5 Toshi Tanaka . . . 6345 6 Weontae Lee . . . 6345 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6345 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 742 6345 '13C chemical shifts' 506 6345 '15N chemical shifts' 121 6345 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 . . 2007-03-22 2004-10-10 original author . 6345 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6345 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16202234 _Citation.Full_citation . _Citation.Title ; Solution Structure of YKR049C, a Putative Redox Protein from Saccharomyces cerevisiae. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biochem. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 38 _Citation.Journal_issue 5 _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 550 _Citation.Page_last 554 _Citation.Year 2005 _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 Jin-Won Jung . . . 6345 1 2 Adelinda Yee . . . 6345 1 3 B. Wu . . . 6345 1 4 Cheryl Arrowsmith . H. . 6345 1 5 Weontae Lee . . . 6345 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system _Assembly.Entry_ID 6345 _Assembly.ID 1 _Assembly.Name ykr049c _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 15650 _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 6345 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 ykr049c 1 $ykr049c_polypeptide . . . native . . . . . 6345 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 . Swiss-Prot P36141 . . . . . . 6345 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ykr049c system 6345 1 ykr049c abbreviation 6345 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ykr049c_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode ykr049c_polypeptide _Entity.Entry_ID 6345 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ykr049c _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 ; MSFWKTLQRQPRTISLFTND IASNIKSQKCLQLLKGDVSH RFDVEIANRFPTWDQLQYMR TSCPQGPVSLQRQIPKLDSV LKYKHTDPTFGMDLQKCVQR GLWNPKEALWVDWENKLVGN EPADIDKYIIQRK ; _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15650 _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 PDB 1WPI . "Solution Nmr Structure Of Protein Ykr049c From Saccharomyces Cerevisiae. Ontario Centre For Structural Proteomics Target Yst025" . . . . . 100.00 133 100.00 100.00 4.41e-93 . . . . 6345 1 2 no DBJ GAA24770 . "K7_Fmp46p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 133 100.00 100.00 4.41e-93 . . . . 6345 1 3 no EMBL CAA82127 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 100.00 133 100.00 100.00 4.41e-93 . . . . 6345 1 4 no EMBL CAY81129 . "Fmp46p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 133 99.25 99.25 2.98e-92 . . . . 6345 1 5 no GB AAS56642 . "YKR049C [Saccharomyces cerevisiae]" . . . . . 100.00 133 100.00 100.00 4.41e-93 . . . . 6345 1 6 no GB AHY76285 . "Fmp46p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 133 100.00 100.00 4.41e-93 . . . . 6345 1 7 no GB EDN59952 . "conserved protein [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 133 100.00 100.00 4.41e-93 . . . . 6345 1 8 no GB EDV13131 . "conserved hypothetical protein [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 133 100.00 100.00 4.41e-93 . . . . 6345 1 9 no GB EEU07595 . "Fmp46p [Saccharomyces cerevisiae JAY291]" . . . . . 100.00 133 100.00 100.00 4.41e-93 . . . . 6345 1 10 no REF NP_012975 . "Fmp46p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 133 100.00 100.00 4.41e-93 . . . . 6345 1 11 no SP P36141 . "RecName: Full=Putative redox protein FMP46, mitochondrial; AltName: Full=Found in mitochondrial proteome protein 46; Flags: Pre" . . . . . 100.00 133 100.00 100.00 4.41e-93 . . . . 6345 1 12 no TPG DAA09200 . "TPA: Fmp46p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 133 100.00 100.00 4.41e-93 . . . . 6345 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ykr049c common 6345 1 ykr049c abbreviation 6345 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 . MET . 6345 1 2 . SER . 6345 1 3 . PHE . 6345 1 4 . TRP . 6345 1 5 . LYS . 6345 1 6 . THR . 6345 1 7 . LEU . 6345 1 8 . GLN . 6345 1 9 . ARG . 6345 1 10 . GLN . 6345 1 11 . PRO . 6345 1 12 . ARG . 6345 1 13 . THR . 6345 1 14 . ILE . 6345 1 15 . SER . 6345 1 16 . LEU . 6345 1 17 . PHE . 6345 1 18 . THR . 6345 1 19 . ASN . 6345 1 20 . ASP . 6345 1 21 . ILE . 6345 1 22 . ALA . 6345 1 23 . SER . 6345 1 24 . ASN . 6345 1 25 . ILE . 6345 1 26 . LYS . 6345 1 27 . SER . 6345 1 28 . GLN . 6345 1 29 . LYS . 6345 1 30 . CYS . 6345 1 31 . LEU . 6345 1 32 . GLN . 6345 1 33 . LEU . 6345 1 34 . LEU . 6345 1 35 . LYS . 6345 1 36 . GLY . 6345 1 37 . ASP . 6345 1 38 . VAL . 6345 1 39 . SER . 6345 1 40 . HIS . 6345 1 41 . ARG . 6345 1 42 . PHE . 6345 1 43 . ASP . 6345 1 44 . VAL . 6345 1 45 . GLU . 6345 1 46 . ILE . 6345 1 47 . ALA . 6345 1 48 . ASN . 6345 1 49 . ARG . 6345 1 50 . PHE . 6345 1 51 . PRO . 6345 1 52 . THR . 6345 1 53 . TRP . 6345 1 54 . ASP . 6345 1 55 . GLN . 6345 1 56 . LEU . 6345 1 57 . GLN . 6345 1 58 . TYR . 6345 1 59 . MET . 6345 1 60 . ARG . 6345 1 61 . THR . 6345 1 62 . SER . 6345 1 63 . CYS . 6345 1 64 . PRO . 6345 1 65 . GLN . 6345 1 66 . GLY . 6345 1 67 . PRO . 6345 1 68 . VAL . 6345 1 69 . SER . 6345 1 70 . LEU . 6345 1 71 . GLN . 6345 1 72 . ARG . 6345 1 73 . GLN . 6345 1 74 . ILE . 6345 1 75 . PRO . 6345 1 76 . LYS . 6345 1 77 . LEU . 6345 1 78 . ASP . 6345 1 79 . SER . 6345 1 80 . VAL . 6345 1 81 . LEU . 6345 1 82 . LYS . 6345 1 83 . TYR . 6345 1 84 . LYS . 6345 1 85 . HIS . 6345 1 86 . THR . 6345 1 87 . ASP . 6345 1 88 . PRO . 6345 1 89 . THR . 6345 1 90 . PHE . 6345 1 91 . GLY . 6345 1 92 . MET . 6345 1 93 . ASP . 6345 1 94 . LEU . 6345 1 95 . GLN . 6345 1 96 . LYS . 6345 1 97 . CYS . 6345 1 98 . VAL . 6345 1 99 . GLN . 6345 1 100 . ARG . 6345 1 101 . GLY . 6345 1 102 . LEU . 6345 1 103 . TRP . 6345 1 104 . ASN . 6345 1 105 . PRO . 6345 1 106 . LYS . 6345 1 107 . GLU . 6345 1 108 . ALA . 6345 1 109 . LEU . 6345 1 110 . TRP . 6345 1 111 . VAL . 6345 1 112 . ASP . 6345 1 113 . TRP . 6345 1 114 . GLU . 6345 1 115 . ASN . 6345 1 116 . LYS . 6345 1 117 . LEU . 6345 1 118 . VAL . 6345 1 119 . GLY . 6345 1 120 . ASN . 6345 1 121 . GLU . 6345 1 122 . PRO . 6345 1 123 . ALA . 6345 1 124 . ASP . 6345 1 125 . ILE . 6345 1 126 . ASP . 6345 1 127 . LYS . 6345 1 128 . TYR . 6345 1 129 . ILE . 6345 1 130 . ILE . 6345 1 131 . GLN . 6345 1 132 . ARG . 6345 1 133 . LYS . 6345 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6345 1 . SER 2 2 6345 1 . PHE 3 3 6345 1 . TRP 4 4 6345 1 . LYS 5 5 6345 1 . THR 6 6 6345 1 . LEU 7 7 6345 1 . GLN 8 8 6345 1 . ARG 9 9 6345 1 . GLN 10 10 6345 1 . PRO 11 11 6345 1 . ARG 12 12 6345 1 . THR 13 13 6345 1 . ILE 14 14 6345 1 . SER 15 15 6345 1 . LEU 16 16 6345 1 . PHE 17 17 6345 1 . THR 18 18 6345 1 . ASN 19 19 6345 1 . ASP 20 20 6345 1 . ILE 21 21 6345 1 . ALA 22 22 6345 1 . SER 23 23 6345 1 . ASN 24 24 6345 1 . ILE 25 25 6345 1 . LYS 26 26 6345 1 . SER 27 27 6345 1 . GLN 28 28 6345 1 . LYS 29 29 6345 1 . CYS 30 30 6345 1 . LEU 31 31 6345 1 . GLN 32 32 6345 1 . LEU 33 33 6345 1 . LEU 34 34 6345 1 . LYS 35 35 6345 1 . GLY 36 36 6345 1 . ASP 37 37 6345 1 . VAL 38 38 6345 1 . SER 39 39 6345 1 . HIS 40 40 6345 1 . ARG 41 41 6345 1 . PHE 42 42 6345 1 . ASP 43 43 6345 1 . VAL 44 44 6345 1 . GLU 45 45 6345 1 . ILE 46 46 6345 1 . ALA 47 47 6345 1 . ASN 48 48 6345 1 . ARG 49 49 6345 1 . PHE 50 50 6345 1 . PRO 51 51 6345 1 . THR 52 52 6345 1 . TRP 53 53 6345 1 . ASP 54 54 6345 1 . GLN 55 55 6345 1 . LEU 56 56 6345 1 . GLN 57 57 6345 1 . TYR 58 58 6345 1 . MET 59 59 6345 1 . ARG 60 60 6345 1 . THR 61 61 6345 1 . SER 62 62 6345 1 . CYS 63 63 6345 1 . PRO 64 64 6345 1 . GLN 65 65 6345 1 . GLY 66 66 6345 1 . PRO 67 67 6345 1 . VAL 68 68 6345 1 . SER 69 69 6345 1 . LEU 70 70 6345 1 . GLN 71 71 6345 1 . ARG 72 72 6345 1 . GLN 73 73 6345 1 . ILE 74 74 6345 1 . PRO 75 75 6345 1 . LYS 76 76 6345 1 . LEU 77 77 6345 1 . ASP 78 78 6345 1 . SER 79 79 6345 1 . VAL 80 80 6345 1 . LEU 81 81 6345 1 . LYS 82 82 6345 1 . TYR 83 83 6345 1 . LYS 84 84 6345 1 . HIS 85 85 6345 1 . THR 86 86 6345 1 . ASP 87 87 6345 1 . PRO 88 88 6345 1 . THR 89 89 6345 1 . PHE 90 90 6345 1 . GLY 91 91 6345 1 . MET 92 92 6345 1 . ASP 93 93 6345 1 . LEU 94 94 6345 1 . GLN 95 95 6345 1 . LYS 96 96 6345 1 . CYS 97 97 6345 1 . VAL 98 98 6345 1 . GLN 99 99 6345 1 . ARG 100 100 6345 1 . GLY 101 101 6345 1 . LEU 102 102 6345 1 . TRP 103 103 6345 1 . ASN 104 104 6345 1 . PRO 105 105 6345 1 . LYS 106 106 6345 1 . GLU 107 107 6345 1 . ALA 108 108 6345 1 . LEU 109 109 6345 1 . TRP 110 110 6345 1 . VAL 111 111 6345 1 . ASP 112 112 6345 1 . TRP 113 113 6345 1 . GLU 114 114 6345 1 . ASN 115 115 6345 1 . LYS 116 116 6345 1 . LEU 117 117 6345 1 . VAL 118 118 6345 1 . GLY 119 119 6345 1 . ASN 120 120 6345 1 . GLU 121 121 6345 1 . PRO 122 122 6345 1 . ALA 123 123 6345 1 . ASP 124 124 6345 1 . ILE 125 125 6345 1 . ASP 126 126 6345 1 . LYS 127 127 6345 1 . TYR 128 128 6345 1 . ILE 129 129 6345 1 . ILE 130 130 6345 1 . GLN 131 131 6345 1 . ARG 132 132 6345 1 . LYS 133 133 6345 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 6345 _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 $ykr049c_polypeptide . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6345 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 6345 _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 $ykr049c_polypeptide . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6345 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 6345 _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 ykr049c '[U-95% 13C; U-90% 15N]' . . 1 $ykr049c_polypeptide . . 1.5 1.0 1.7 mM . . . . 6345 1 2 'Sodium Phosphate' . . . . . . . 25 . . mM . . . . 6345 1 3 'Sodium Chloride' . . . . . . . 150 . . mM . . . . 6345 1 4 DTT . . . . . . . 1 . . mM . . . . 6345 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 6345 _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 6.5 0.01 pH 6345 1 temperature 298 0.01 K 6345 1 stop_ save_ ############################ # Computer software used # ############################ save_software _Software.Sf_category software _Software.Sf_framecode software _Software.Entry_ID 6345 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6345 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6345 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6345 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6345 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 6345 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6345 _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_1 Bruker Avance . 500 . . . 6345 1 2 NMR_spectrometer_2 Bruker Avance . 600 . . . 6345 1 3 NMR_spectrometer_3 Bruker DMX . 800 . . . 6345 1 4 NMR_spectrometer_4 Varian Unity . 600 . . . 6345 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 6345 _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 HNCACB . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6345 1 2 '1H15N HSQC (example)' . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6345 1 3 CBCA(CO)NH . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6345 1 4 HNCO . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6345 1 5 CC(CO)NH . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6345 1 6 H(CCCO)NH . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6345 1 7 HCCH-TOCSY . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6345 1 8 HNCA . . . . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 6345 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 6345 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _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 1 _NMR_spec_expt.Software_label $software _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 6345 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H15N HSQC (example)' _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 1 _NMR_spec_expt.Software_label $software _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 6345 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _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 1 _NMR_spec_expt.Software_label $software _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6345 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _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 1 _NMR_spec_expt.Software_label $software _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6345 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CC(CO)NH _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 1 _NMR_spec_expt.Software_label $software _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6345 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name H(CCCO)NH _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 1 _NMR_spec_expt.Software_label $software _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6345 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _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 1 _NMR_spec_expt.Software_label $software _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6345 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCA _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 1 _NMR_spec_expt.Software_label $software _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 6345 _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 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6345 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6345 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 . 6345 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 3 3 PHE C C 13 175.958 0.000 . . . . . . . . . . 6345 1 2 . 1 1 3 3 PHE CA C 13 58.832 0.039 . . . . . . . . . . 6345 1 3 . 1 1 3 3 PHE CB C 13 39.318 0.059 . . . . . . . . . . 6345 1 4 . 1 1 3 3 PHE HA H 1 4.033 0.009 . . . . . . . . . . 6345 1 5 . 1 1 3 3 PHE HB2 H 1 3.318 0.005 . . . . . . . . . . 6345 1 6 . 1 1 3 3 PHE HB3 H 1 3.160 0.005 . . . . . . . . . . 6345 1 7 . 1 1 4 4 TRP CA C 13 58.241 0.000 . . . . . . . . . . 6345 1 8 . 1 1 4 4 TRP CB C 13 29.245 0.000 . . . . . . . . . . 6345 1 9 . 1 1 4 4 TRP H H 1 7.812 0.007 . . . . . . . . . . 6345 1 10 . 1 1 4 4 TRP N N 15 120.530 0.016 . . . . . . . . . . 6345 1 11 . 1 1 5 5 LYS C C 13 177.100 0.000 . . . . . . . . . . 6345 1 12 . 1 1 5 5 LYS CA C 13 57.439 0.083 . . . . . . . . . . 6345 1 13 . 1 1 5 5 LYS CB C 13 32.855 0.074 . . . . . . . . . . 6345 1 14 . 1 1 5 5 LYS CD C 13 29.094 0.108 . . . . . . . . . . 6345 1 15 . 1 1 5 5 LYS CE C 13 42.223 0.056 . . . . . . . . . . 6345 1 16 . 1 1 5 5 LYS CG C 13 24.950 0.107 . . . . . . . . . . 6345 1 17 . 1 1 5 5 LYS HA H 1 4.158 0.013 . . . . . . . . . . 6345 1 18 . 1 1 5 5 LYS HB3 H 1 1.653 0.014 . . . . . . . . . . 6345 1 19 . 1 1 5 5 LYS HE2 H 1 2.953 0.009 . . . . . . . . . . 6345 1 20 . 1 1 5 5 LYS HG2 H 1 1.478 0.011 . . . . . . . . . . 6345 1 21 . 1 1 5 5 LYS HG3 H 1 1.261 0.002 . . . . . . . . . . 6345 1 22 . 1 1 5 5 LYS HD2 H 1 1.711 0.012 . . . . . . . . . . 6345 1 23 . 1 1 6 6 THR C C 13 174.857 0.000 . . . . . . . . . . 6345 1 24 . 1 1 6 6 THR CA C 13 62.907 0.015 . . . . . . . . . . 6345 1 25 . 1 1 6 6 THR CB C 13 69.684 0.156 . . . . . . . . . . 6345 1 26 . 1 1 6 6 THR CG2 C 13 21.873 0.004 . . . . . . . . . . 6345 1 27 . 1 1 6 6 THR HA H 1 4.224 0.000 . . . . . . . . . . 6345 1 28 . 1 1 6 6 THR HB H 1 4.215 0.003 . . . . . . . . . . 6345 1 29 . 1 1 6 6 THR H H 1 7.920 0.010 . . . . . . . . . . 6345 1 30 . 1 1 6 6 THR N N 15 113.928 0.119 . . . . . . . . . . 6345 1 31 . 1 1 6 6 THR HG21 H 1 1.204 0.000 . . . . . . . . . . 6345 1 32 . 1 1 6 6 THR HG22 H 1 1.204 0.000 . . . . . . . . . . 6345 1 33 . 1 1 6 6 THR HG23 H 1 1.204 0.000 . . . . . . . . . . 6345 1 34 . 1 1 7 7 LEU C C 13 177.375 0.000 . . . . . . . . . . 6345 1 35 . 1 1 7 7 LEU CA C 13 55.676 0.052 . . . . . . . . . . 6345 1 36 . 1 1 7 7 LEU CB C 13 42.407 0.120 . . . . . . . . . . 6345 1 37 . 1 1 7 7 LEU CD1 C 13 25.328 0.177 . . . . . . . . . . 6345 1 38 . 1 1 7 7 LEU CD2 C 13 23.540 0.019 . . . . . . . . . . 6345 1 39 . 1 1 7 7 LEU HA H 1 4.244 0.003 . . . . . . . . . . 6345 1 40 . 1 1 7 7 LEU HB2 H 1 1.570 0.018 . . . . . . . . . . 6345 1 41 . 1 1 7 7 LEU H H 1 7.978 0.014 . . . . . . . . . . 6345 1 42 . 1 1 7 7 LEU N N 15 123.076 0.099 . . . . . . . . . . 6345 1 43 . 1 1 7 7 LEU HD11 H 1 0.848 0.006 . . . . . . . . . . 6345 1 44 . 1 1 7 7 LEU HD12 H 1 0.848 0.006 . . . . . . . . . . 6345 1 45 . 1 1 7 7 LEU HD13 H 1 0.848 0.006 . . . . . . . . . . 6345 1 46 . 1 1 7 7 LEU HD21 H 1 0.785 0.001 . . . . . . . . . . 6345 1 47 . 1 1 7 7 LEU HD22 H 1 0.785 0.001 . . . . . . . . . . 6345 1 48 . 1 1 7 7 LEU HD23 H 1 0.785 0.001 . . . . . . . . . . 6345 1 49 . 1 1 8 8 GLN C C 13 175.781 0.000 . . . . . . . . . . 6345 1 50 . 1 1 8 8 GLN CA C 13 56.096 0.060 . . . . . . . . . . 6345 1 51 . 1 1 8 8 GLN CB C 13 29.336 0.133 . . . . . . . . . . 6345 1 52 . 1 1 8 8 GLN CG C 13 33.928 0.000 . . . . . . . . . . 6345 1 53 . 1 1 8 8 GLN HA H 1 4.268 0.013 . . . . . . . . . . 6345 1 54 . 1 1 8 8 GLN HG2 H 1 2.334 0.005 . . . . . . . . . . 6345 1 55 . 1 1 8 8 GLN H H 1 8.128 0.009 . . . . . . . . . . 6345 1 56 . 1 1 8 8 GLN N N 15 119.558 0.152 . . . . . . . . . . 6345 1 57 . 1 1 9 9 ARG C C 13 175.669 0.000 . . . . . . . . . . 6345 1 58 . 1 1 9 9 ARG CA C 13 56.042 0.088 . . . . . . . . . . 6345 1 59 . 1 1 9 9 ARG CB C 13 30.802 0.049 . . . . . . . . . . 6345 1 60 . 1 1 9 9 ARG CD C 13 43.468 0.072 . . . . . . . . . . 6345 1 61 . 1 1 9 9 ARG HA H 1 4.332 0.011 . . . . . . . . . . 6345 1 62 . 1 1 9 9 ARG HB2 H 1 1.847 0.017 . . . . . . . . . . 6345 1 63 . 1 1 9 9 ARG HD2 H 1 3.164 0.009 . . . . . . . . . . 6345 1 64 . 1 1 9 9 ARG H H 1 8.111 0.007 . . . . . . . . . . 6345 1 65 . 1 1 9 9 ARG N N 15 120.358 0.023 . . . . . . . . . . 6345 1 66 . 1 1 10 10 GLN CA C 13 53.758 0.000 . . . . . . . . . . 6345 1 67 . 1 1 10 10 GLN CB C 13 28.761 0.000 . . . . . . . . . . 6345 1 68 . 1 1 10 10 GLN H H 1 8.275 0.008 . . . . . . . . . . 6345 1 69 . 1 1 10 10 GLN N N 15 122.159 0.035 . . . . . . . . . . 6345 1 70 . 1 1 11 11 PRO C C 13 176.000 0.000 . . . . . . . . . . 6345 1 71 . 1 1 11 11 PRO CA C 13 64.225 0.106 . . . . . . . . . . 6345 1 72 . 1 1 11 11 PRO CB C 13 32.099 0.011 . . . . . . . . . . 6345 1 73 . 1 1 11 11 PRO CD C 13 51.181 0.177 . . . . . . . . . . 6345 1 74 . 1 1 11 11 PRO CG C 13 27.731 0.222 . . . . . . . . . . 6345 1 75 . 1 1 11 11 PRO HA H 1 4.390 0.013 . . . . . . . . . . 6345 1 76 . 1 1 11 11 PRO HB2 H 1 1.803 0.000 . . . . . . . . . . 6345 1 77 . 1 1 11 11 PRO HB3 H 1 1.958 0.007 . . . . . . . . . . 6345 1 78 . 1 1 11 11 PRO HD2 H 1 3.602 0.000 . . . . . . . . . . 6345 1 79 . 1 1 11 11 PRO HD3 H 1 3.826 0.009 . . . . . . . . . . 6345 1 80 . 1 1 11 11 PRO HG2 H 1 2.298 0.012 . . . . . . . . . . 6345 1 81 . 1 1 12 12 ARG CA C 13 57.477 0.025 . . . . . . . . . . 6345 1 82 . 1 1 12 12 ARG CB C 13 31.400 0.000 . . . . . . . . . . 6345 1 83 . 1 1 12 12 ARG HA H 1 4.199 0.000 . . . . . . . . . . 6345 1 84 . 1 1 12 12 ARG HB2 H 1 1.922 0.000 . . . . . . . . . . 6345 1 85 . 1 1 12 12 ARG HB3 H 1 1.808 0.000 . . . . . . . . . . 6345 1 86 . 1 1 12 12 ARG H H 1 7.979 0.008 . . . . . . . . . . 6345 1 87 . 1 1 12 12 ARG N N 15 126.755 0.058 . . . . . . . . . . 6345 1 88 . 1 1 13 13 THR C C 13 174.381 0.000 . . . . . . . . . . 6345 1 89 . 1 1 13 13 THR CA C 13 63.356 0.124 . . . . . . . . . . 6345 1 90 . 1 1 13 13 THR CB C 13 71.404 0.194 . . . . . . . . . . 6345 1 91 . 1 1 13 13 THR CG2 C 13 22.348 0.039 . . . . . . . . . . 6345 1 92 . 1 1 13 13 THR HA H 1 5.014 0.018 . . . . . . . . . . 6345 1 93 . 1 1 13 13 THR HB H 1 4.094 0.022 . . . . . . . . . . 6345 1 94 . 1 1 13 13 THR HG21 H 1 1.245 0.017 . . . . . . . . . . 6345 1 95 . 1 1 13 13 THR HG22 H 1 1.245 0.017 . . . . . . . . . . 6345 1 96 . 1 1 13 13 THR HG23 H 1 1.245 0.017 . . . . . . . . . . 6345 1 97 . 1 1 14 14 ILE C C 13 175.874 0.000 . . . . . . . . . . 6345 1 98 . 1 1 14 14 ILE CA C 13 59.835 0.107 . . . . . . . . . . 6345 1 99 . 1 1 14 14 ILE CB C 13 39.241 0.180 . . . . . . . . . . 6345 1 100 . 1 1 14 14 ILE CD1 C 13 12.456 0.073 . . . . . . . . . . 6345 1 101 . 1 1 14 14 ILE CG2 C 13 16.363 0.136 . . . . . . . . . . 6345 1 102 . 1 1 14 14 ILE HA H 1 5.112 0.007 . . . . . . . . . . 6345 1 103 . 1 1 14 14 ILE HB H 1 1.685 0.010 . . . . . . . . . . 6345 1 104 . 1 1 14 14 ILE H H 1 9.035 0.006 . . . . . . . . . . 6345 1 105 . 1 1 14 14 ILE N N 15 128.746 0.111 . . . . . . . . . . 6345 1 106 . 1 1 14 14 ILE HD11 H 1 0.114 0.009 . . . . . . . . . . 6345 1 107 . 1 1 14 14 ILE HD12 H 1 0.114 0.009 . . . . . . . . . . 6345 1 108 . 1 1 14 14 ILE HD13 H 1 0.114 0.009 . . . . . . . . . . 6345 1 109 . 1 1 14 14 ILE HG12 H 1 1.161 0.008 . . . . . . . . . . 6345 1 110 . 1 1 14 14 ILE HG21 H 1 0.643 0.011 . . . . . . . . . . 6345 1 111 . 1 1 14 14 ILE HG22 H 1 0.643 0.011 . . . . . . . . . . 6345 1 112 . 1 1 14 14 ILE HG23 H 1 0.643 0.011 . . . . . . . . . . 6345 1 113 . 1 1 15 15 SER C C 13 171.858 0.000 . . . . . . . . . . 6345 1 114 . 1 1 15 15 SER CA C 13 58.824 0.073 . . . . . . . . . . 6345 1 115 . 1 1 15 15 SER CB C 13 63.691 0.077 . . . . . . . . . . 6345 1 116 . 1 1 15 15 SER HA H 1 5.620 0.013 . . . . . . . . . . 6345 1 117 . 1 1 15 15 SER HB2 H 1 3.557 0.013 . . . . . . . . . . 6345 1 118 . 1 1 15 15 SER HB3 H 1 3.774 0.011 . . . . . . . . . . 6345 1 119 . 1 1 15 15 SER H H 1 8.792 0.011 . . . . . . . . . . 6345 1 120 . 1 1 15 15 SER N N 15 122.679 0.049 . . . . . . . . . . 6345 1 121 . 1 1 16 16 LEU C C 13 174.409 0.000 . . . . . . . . . . 6345 1 122 . 1 1 16 16 LEU CA C 13 53.134 0.121 . . . . . . . . . . 6345 1 123 . 1 1 16 16 LEU CB C 13 45.183 0.106 . . . . . . . . . . 6345 1 124 . 1 1 16 16 LEU CD1 C 13 24.348 0.083 . . . . . . . . . . 6345 1 125 . 1 1 16 16 LEU CG C 13 27.908 0.000 . . . . . . . . . . 6345 1 126 . 1 1 16 16 LEU HA H 1 5.179 0.015 . . . . . . . . . . 6345 1 127 . 1 1 16 16 LEU HB2 H 1 1.010 0.006 . . . . . . . . . . 6345 1 128 . 1 1 16 16 LEU HB3 H 1 1.900 0.008 . . . . . . . . . . 6345 1 129 . 1 1 16 16 LEU HG H 1 1.480 0.000 . . . . . . . . . . 6345 1 130 . 1 1 16 16 LEU H H 1 8.947 0.010 . . . . . . . . . . 6345 1 131 . 1 1 16 16 LEU N N 15 126.132 0.090 . . . . . . . . . . 6345 1 132 . 1 1 16 16 LEU HD11 H 1 0.993 0.008 . . . . . . . . . . 6345 1 133 . 1 1 16 16 LEU HD12 H 1 0.993 0.008 . . . . . . . . . . 6345 1 134 . 1 1 16 16 LEU HD13 H 1 0.993 0.008 . . . . . . . . . . 6345 1 135 . 1 1 16 16 LEU HD21 H 1 0.935 0.000 . . . . . . . . . . 6345 1 136 . 1 1 16 16 LEU HD22 H 1 0.935 0.000 . . . . . . . . . . 6345 1 137 . 1 1 16 16 LEU HD23 H 1 0.935 0.000 . . . . . . . . . . 6345 1 138 . 1 1 17 17 PHE C C 13 176.167 0.000 . . . . . . . . . . 6345 1 139 . 1 1 17 17 PHE CA C 13 56.895 0.108 . . . . . . . . . . 6345 1 140 . 1 1 17 17 PHE CB C 13 41.154 0.112 . . . . . . . . . . 6345 1 141 . 1 1 17 17 PHE HA H 1 5.503 0.012 . . . . . . . . . . 6345 1 142 . 1 1 17 17 PHE HB2 H 1 3.095 0.012 . . . . . . . . . . 6345 1 143 . 1 1 17 17 PHE HB3 H 1 3.541 0.011 . . . . . . . . . . 6345 1 144 . 1 1 17 17 PHE H H 1 9.762 0.011 . . . . . . . . . . 6345 1 145 . 1 1 17 17 PHE N N 15 126.529 0.103 . . . . . . . . . . 6345 1 146 . 1 1 17 17 PHE HD2 H 1 7.319 0.003 . . . . . . . . . . 6345 1 147 . 1 1 17 17 PHE HE1 H 1 7.293 0.016 . . . . . . . . . . 6345 1 148 . 1 1 18 18 THR C C 13 171.220 0.000 . . . . . . . . . . 6345 1 149 . 1 1 18 18 THR CA C 13 58.702 0.108 . . . . . . . . . . 6345 1 150 . 1 1 18 18 THR CB C 13 69.718 0.103 . . . . . . . . . . 6345 1 151 . 1 1 18 18 THR CG2 C 13 19.675 0.078 . . . . . . . . . . 6345 1 152 . 1 1 18 18 THR HA H 1 5.449 0.012 . . . . . . . . . . 6345 1 153 . 1 1 18 18 THR HB H 1 4.148 0.016 . . . . . . . . . . 6345 1 154 . 1 1 18 18 THR H H 1 8.526 0.008 . . . . . . . . . . 6345 1 155 . 1 1 18 18 THR N N 15 116.843 0.037 . . . . . . . . . . 6345 1 156 . 1 1 18 18 THR HG21 H 1 1.073 0.008 . . . . . . . . . . 6345 1 157 . 1 1 18 18 THR HG22 H 1 1.073 0.008 . . . . . . . . . . 6345 1 158 . 1 1 18 18 THR HG23 H 1 1.073 0.008 . . . . . . . . . . 6345 1 159 . 1 1 19 19 ASN C C 13 174.221 0.000 . . . . . . . . . . 6345 1 160 . 1 1 19 19 ASN CA C 13 55.372 0.105 . . . . . . . . . . 6345 1 161 . 1 1 19 19 ASN CB C 13 37.026 0.088 . . . . . . . . . . 6345 1 162 . 1 1 19 19 ASN HA H 1 4.282 0.009 . . . . . . . . . . 6345 1 163 . 1 1 19 19 ASN HB2 H 1 2.751 0.012 . . . . . . . . . . 6345 1 164 . 1 1 19 19 ASN HB3 H 1 2.129 0.012 . . . . . . . . . . 6345 1 165 . 1 1 19 19 ASN H H 1 9.007 0.008 . . . . . . . . . . 6345 1 166 . 1 1 19 19 ASN N N 15 122.110 0.069 . . . . . . . . . . 6345 1 167 . 1 1 20 20 ASP C C 13 175.707 0.000 . . . . . . . . . . 6345 1 168 . 1 1 20 20 ASP CA C 13 55.094 0.113 . . . . . . . . . . 6345 1 169 . 1 1 20 20 ASP CB C 13 41.445 0.145 . . . . . . . . . . 6345 1 170 . 1 1 20 20 ASP HA H 1 4.539 0.020 . . . . . . . . . . 6345 1 171 . 1 1 20 20 ASP HB2 H 1 2.693 0.010 . . . . . . . . . . 6345 1 172 . 1 1 20 20 ASP HB3 H 1 3.107 0.012 . . . . . . . . . . 6345 1 173 . 1 1 20 20 ASP H H 1 7.441 0.007 . . . . . . . . . . 6345 1 174 . 1 1 20 20 ASP N N 15 116.092 0.041 . . . . . . . . . . 6345 1 175 . 1 1 21 21 ILE C C 13 174.701 0.000 . . . . . . . . . . 6345 1 176 . 1 1 21 21 ILE CA C 13 60.684 0.087 . . . . . . . . . . 6345 1 177 . 1 1 21 21 ILE CB C 13 38.872 0.101 . . . . . . . . . . 6345 1 178 . 1 1 21 21 ILE CD1 C 13 14.274 0.070 . . . . . . . . . . 6345 1 179 . 1 1 21 21 ILE CG1 C 13 28.750 0.084 . . . . . . . . . . 6345 1 180 . 1 1 21 21 ILE CG2 C 13 18.715 0.055 . . . . . . . . . . 6345 1 181 . 1 1 21 21 ILE HA H 1 4.182 0.011 . . . . . . . . . . 6345 1 182 . 1 1 21 21 ILE HB H 1 1.800 0.012 . . . . . . . . . . 6345 1 183 . 1 1 21 21 ILE HG12 H 1 1.400 0.008 . . . . . . . . . . 6345 1 184 . 1 1 21 21 ILE HG13 H 1 1.281 0.302 . . . . . . . . . . 6345 1 185 . 1 1 21 21 ILE H H 1 9.147 0.009 . . . . . . . . . . 6345 1 186 . 1 1 21 21 ILE N N 15 129.600 0.078 . . . . . . . . . . 6345 1 187 . 1 1 21 21 ILE HD11 H 1 0.938 0.006 . . . . . . . . . . 6345 1 188 . 1 1 21 21 ILE HD12 H 1 0.938 0.006 . . . . . . . . . . 6345 1 189 . 1 1 21 21 ILE HD13 H 1 0.938 0.006 . . . . . . . . . . 6345 1 190 . 1 1 21 21 ILE HG21 H 1 0.966 0.009 . . . . . . . . . . 6345 1 191 . 1 1 21 21 ILE HG22 H 1 0.966 0.009 . . . . . . . . . . 6345 1 192 . 1 1 21 21 ILE HG23 H 1 0.966 0.009 . . . . . . . . . . 6345 1 193 . 1 1 22 22 ALA C C 13 178.590 0.000 . . . . . . . . . . 6345 1 194 . 1 1 22 22 ALA CA C 13 53.651 0.071 . . . . . . . . . . 6345 1 195 . 1 1 22 22 ALA CB C 13 19.210 0.080 . . . . . . . . . . 6345 1 196 . 1 1 22 22 ALA HA H 1 4.226 0.011 . . . . . . . . . . 6345 1 197 . 1 1 22 22 ALA H H 1 7.971 0.008 . . . . . . . . . . 6345 1 198 . 1 1 22 22 ALA N N 15 120.228 0.063 . . . . . . . . . . 6345 1 199 . 1 1 22 22 ALA HB1 H 1 1.480 0.008 . . . . . . . . . . 6345 1 200 . 1 1 22 22 ALA HB2 H 1 1.480 0.008 . . . . . . . . . . 6345 1 201 . 1 1 22 22 ALA HB3 H 1 1.480 0.008 . . . . . . . . . . 6345 1 202 . 1 1 23 23 SER CA C 13 58.664 0.079 . . . . . . . . . . 6345 1 203 . 1 1 23 23 SER CB C 13 65.062 0.108 . . . . . . . . . . 6345 1 204 . 1 1 23 23 SER HA H 1 4.625 0.014 . . . . . . . . . . 6345 1 205 . 1 1 23 23 SER HB2 H 1 3.948 0.009 . . . . . . . . . . 6345 1 206 . 1 1 23 23 SER HB3 H 1 3.785 0.014 . . . . . . . . . . 6345 1 207 . 1 1 23 23 SER H H 1 7.369 0.009 . . . . . . . . . . 6345 1 208 . 1 1 23 23 SER N N 15 109.067 0.045 . . . . . . . . . . 6345 1 209 . 1 1 24 24 ASN C C 13 175.739 0.000 . . . . . . . . . . 6345 1 210 . 1 1 24 24 ASN CA C 13 52.744 0.069 . . . . . . . . . . 6345 1 211 . 1 1 24 24 ASN CB C 13 36.984 0.061 . . . . . . . . . . 6345 1 212 . 1 1 24 24 ASN HA H 1 5.049 0.015 . . . . . . . . . . 6345 1 213 . 1 1 24 24 ASN HB2 H 1 2.875 0.011 . . . . . . . . . . 6345 1 214 . 1 1 24 24 ASN HB3 H 1 3.245 0.007 . . . . . . . . . . 6345 1 215 . 1 1 24 24 ASN H H 1 8.051 0.009 . . . . . . . . . . 6345 1 216 . 1 1 24 24 ASN N N 15 122.228 0.063 . . . . . . . . . . 6345 1 217 . 1 1 25 25 ILE C C 13 177.435 0.000 . . . . . . . . . . 6345 1 218 . 1 1 25 25 ILE CA C 13 63.617 0.101 . . . . . . . . . . 6345 1 219 . 1 1 25 25 ILE CB C 13 37.370 0.072 . . . . . . . . . . 6345 1 220 . 1 1 25 25 ILE CD1 C 13 11.806 0.098 . . . . . . . . . . 6345 1 221 . 1 1 25 25 ILE CG1 C 13 28.197 0.110 . . . . . . . . . . 6345 1 222 . 1 1 25 25 ILE CG2 C 13 17.842 0.070 . . . . . . . . . . 6345 1 223 . 1 1 25 25 ILE HA H 1 3.731 0.009 . . . . . . . . . . 6345 1 224 . 1 1 25 25 ILE HB H 1 1.991 0.010 . . . . . . . . . . 6345 1 225 . 1 1 25 25 ILE HG12 H 1 1.472 0.011 . . . . . . . . . . 6345 1 226 . 1 1 25 25 ILE HG13 H 1 1.612 0.008 . . . . . . . . . . 6345 1 227 . 1 1 25 25 ILE H H 1 8.314 0.009 . . . . . . . . . . 6345 1 228 . 1 1 25 25 ILE N N 15 127.609 0.050 . . . . . . . . . . 6345 1 229 . 1 1 25 25 ILE HD11 H 1 0.892 0.007 . . . . . . . . . . 6345 1 230 . 1 1 25 25 ILE HD12 H 1 0.892 0.007 . . . . . . . . . . 6345 1 231 . 1 1 25 25 ILE HD13 H 1 0.892 0.007 . . . . . . . . . . 6345 1 232 . 1 1 25 25 ILE HG21 H 1 1.013 0.007 . . . . . . . . . . 6345 1 233 . 1 1 25 25 ILE HG22 H 1 1.013 0.007 . . . . . . . . . . 6345 1 234 . 1 1 25 25 ILE HG23 H 1 1.013 0.007 . . . . . . . . . . 6345 1 235 . 1 1 26 26 LYS CA C 13 60.697 0.085 . . . . . . . . . . 6345 1 236 . 1 1 26 26 LYS CB C 13 32.465 0.211 . . . . . . . . . . 6345 1 237 . 1 1 26 26 LYS CD C 13 30.127 0.000 . . . . . . . . . . 6345 1 238 . 1 1 26 26 LYS CE C 13 41.913 0.133 . . . . . . . . . . 6345 1 239 . 1 1 26 26 LYS CG C 13 26.600 0.000 . . . . . . . . . . 6345 1 240 . 1 1 26 26 LYS HA H 1 4.088 0.008 . . . . . . . . . . 6345 1 241 . 1 1 26 26 LYS HB2 H 1 1.989 0.027 . . . . . . . . . . 6345 1 242 . 1 1 26 26 LYS HB3 H 1 1.777 0.018 . . . . . . . . . . 6345 1 243 . 1 1 26 26 LYS HE2 H 1 3.093 0.009 . . . . . . . . . . 6345 1 244 . 1 1 26 26 LYS H H 1 8.729 0.009 . . . . . . . . . . 6345 1 245 . 1 1 26 26 LYS N N 15 123.089 0.059 . . . . . . . . . . 6345 1 246 . 1 1 27 27 SER C C 13 175.184 0.000 . . . . . . . . . . 6345 1 247 . 1 1 27 27 SER CA C 13 62.608 0.078 . . . . . . . . . . 6345 1 248 . 1 1 27 27 SER CB C 13 63.725 0.091 . . . . . . . . . . 6345 1 249 . 1 1 27 27 SER HA H 1 4.123 0.000 . . . . . . . . . . 6345 1 250 . 1 1 27 27 SER H H 1 8.505 0.010 . . . . . . . . . . 6345 1 251 . 1 1 27 27 SER N N 15 115.658 0.081 . . . . . . . . . . 6345 1 252 . 1 1 28 28 GLN C C 13 178.678 0.000 . . . . . . . . . . 6345 1 253 . 1 1 28 28 GLN CA C 13 59.850 0.077 . . . . . . . . . . 6345 1 254 . 1 1 28 28 GLN CB C 13 28.191 0.071 . . . . . . . . . . 6345 1 255 . 1 1 28 28 GLN CG C 13 34.185 0.039 . . . . . . . . . . 6345 1 256 . 1 1 28 28 GLN HA H 1 3.959 0.008 . . . . . . . . . . 6345 1 257 . 1 1 28 28 GLN HB2 H 1 2.284 0.000 . . . . . . . . . . 6345 1 258 . 1 1 28 28 GLN HB3 H 1 2.633 0.004 . . . . . . . . . . 6345 1 259 . 1 1 28 28 GLN HG2 H 1 2.433 0.012 . . . . . . . . . . 6345 1 260 . 1 1 28 28 GLN HG3 H 1 2.649 0.000 . . . . . . . . . . 6345 1 261 . 1 1 28 28 GLN H H 1 8.014 0.011 . . . . . . . . . . 6345 1 262 . 1 1 28 28 GLN N N 15 124.536 0.072 . . . . . . . . . . 6345 1 263 . 1 1 29 29 LYS C C 13 180.141 0.000 . . . . . . . . . . 6345 1 264 . 1 1 29 29 LYS CA C 13 59.280 0.118 . . . . . . . . . . 6345 1 265 . 1 1 29 29 LYS CB C 13 32.316 0.149 . . . . . . . . . . 6345 1 266 . 1 1 29 29 LYS CE C 13 42.246 0.000 . . . . . . . . . . 6345 1 267 . 1 1 29 29 LYS CG C 13 25.611 0.043 . . . . . . . . . . 6345 1 268 . 1 1 29 29 LYS HA H 1 4.122 0.014 . . . . . . . . . . 6345 1 269 . 1 1 29 29 LYS HB2 H 1 2.138 0.008 . . . . . . . . . . 6345 1 270 . 1 1 29 29 LYS HB3 H 1 1.835 0.098 . . . . . . . . . . 6345 1 271 . 1 1 29 29 LYS HD2 H 1 1.597 0.002 . . . . . . . . . . 6345 1 272 . 1 1 29 29 LYS H H 1 8.412 0.009 . . . . . . . . . . 6345 1 273 . 1 1 29 29 LYS N N 15 119.996 0.058 . . . . . . . . . . 6345 1 274 . 1 1 29 29 LYS HG2 H 1 1.601 0.000 . . . . . . . . . . 6345 1 275 . 1 1 30 30 CYS C C 13 175.930 0.000 . . . . . . . . . . 6345 1 276 . 1 1 30 30 CYS CA C 13 64.683 0.172 . . . . . . . . . . 6345 1 277 . 1 1 30 30 CYS CB C 13 27.428 0.123 . . . . . . . . . . 6345 1 278 . 1 1 30 30 CYS HA H 1 3.833 0.009 . . . . . . . . . . 6345 1 279 . 1 1 30 30 CYS HB2 H 1 3.397 0.000 . . . . . . . . . . 6345 1 280 . 1 1 30 30 CYS HB3 H 1 2.145 0.008 . . . . . . . . . . 6345 1 281 . 1 1 30 30 CYS H H 1 7.966 0.009 . . . . . . . . . . 6345 1 282 . 1 1 30 30 CYS N N 15 116.198 0.110 . . . . . . . . . . 6345 1 283 . 1 1 31 31 LEU C C 13 177.591 0.000 . . . . . . . . . . 6345 1 284 . 1 1 31 31 LEU CA C 13 58.218 0.127 . . . . . . . . . . 6345 1 285 . 1 1 31 31 LEU CB C 13 41.706 0.106 . . . . . . . . . . 6345 1 286 . 1 1 31 31 LEU CD1 C 13 26.252 0.000 . . . . . . . . . . 6345 1 287 . 1 1 31 31 LEU CD2 C 13 23.913 0.078 . . . . . . . . . . 6345 1 288 . 1 1 31 31 LEU HA H 1 3.893 0.009 . . . . . . . . . . 6345 1 289 . 1 1 31 31 LEU HB2 H 1 1.417 0.014 . . . . . . . . . . 6345 1 290 . 1 1 31 31 LEU HB3 H 1 2.085 0.013 . . . . . . . . . . 6345 1 291 . 1 1 31 31 LEU HG H 1 1.442 0.005 . . . . . . . . . . 6345 1 292 . 1 1 31 31 LEU H H 1 8.207 0.007 . . . . . . . . . . 6345 1 293 . 1 1 31 31 LEU N N 15 119.872 0.054 . . . . . . . . . . 6345 1 294 . 1 1 31 31 LEU HD11 H 1 0.991 0.000 . . . . . . . . . . 6345 1 295 . 1 1 31 31 LEU HD12 H 1 0.991 0.000 . . . . . . . . . . 6345 1 296 . 1 1 31 31 LEU HD13 H 1 0.991 0.000 . . . . . . . . . . 6345 1 297 . 1 1 31 31 LEU HD21 H 1 0.952 0.014 . . . . . . . . . . 6345 1 298 . 1 1 31 31 LEU HD22 H 1 0.952 0.014 . . . . . . . . . . 6345 1 299 . 1 1 31 31 LEU HD23 H 1 0.952 0.014 . . . . . . . . . . 6345 1 300 . 1 1 32 32 GLN C C 13 179.375 0.000 . . . . . . . . . . 6345 1 301 . 1 1 32 32 GLN CA C 13 59.039 0.069 . . . . . . . . . . 6345 1 302 . 1 1 32 32 GLN CB C 13 28.319 0.104 . . . . . . . . . . 6345 1 303 . 1 1 32 32 GLN CG C 13 33.895 0.048 . . . . . . . . . . 6345 1 304 . 1 1 32 32 GLN HA H 1 3.889 0.014 . . . . . . . . . . 6345 1 305 . 1 1 32 32 GLN HB2 H 1 2.148 0.015 . . . . . . . . . . 6345 1 306 . 1 1 32 32 GLN HG2 H 1 2.540 0.000 . . . . . . . . . . 6345 1 307 . 1 1 32 32 GLN HG3 H 1 2.404 0.000 . . . . . . . . . . 6345 1 308 . 1 1 32 32 GLN H H 1 8.347 0.010 . . . . . . . . . . 6345 1 309 . 1 1 32 32 GLN N N 15 117.081 0.082 . . . . . . . . . . 6345 1 310 . 1 1 33 33 LEU C C 13 179.658 0.000 . . . . . . . . . . 6345 1 311 . 1 1 33 33 LEU CA C 13 57.485 0.111 . . . . . . . . . . 6345 1 312 . 1 1 33 33 LEU CB C 13 42.925 0.097 . . . . . . . . . . 6345 1 313 . 1 1 33 33 LEU CD1 C 13 27.290 0.062 . . . . . . . . . . 6345 1 314 . 1 1 33 33 LEU CD2 C 13 23.861 0.019 . . . . . . . . . . 6345 1 315 . 1 1 33 33 LEU HA H 1 4.118 0.010 . . . . . . . . . . 6345 1 316 . 1 1 33 33 LEU HB2 H 1 1.260 0.011 . . . . . . . . . . 6345 1 317 . 1 1 33 33 LEU HB3 H 1 1.815 0.018 . . . . . . . . . . 6345 1 318 . 1 1 33 33 LEU HG H 1 1.241 0.011 . . . . . . . . . . 6345 1 319 . 1 1 33 33 LEU H H 1 7.352 0.010 . . . . . . . . . . 6345 1 320 . 1 1 33 33 LEU N N 15 118.115 0.071 . . . . . . . . . . 6345 1 321 . 1 1 33 33 LEU HD11 H 1 0.819 0.004 . . . . . . . . . . 6345 1 322 . 1 1 33 33 LEU HD12 H 1 0.819 0.004 . . . . . . . . . . 6345 1 323 . 1 1 33 33 LEU HD13 H 1 0.819 0.004 . . . . . . . . . . 6345 1 324 . 1 1 33 33 LEU HD21 H 1 0.811 0.001 . . . . . . . . . . 6345 1 325 . 1 1 33 33 LEU HD22 H 1 0.811 0.001 . . . . . . . . . . 6345 1 326 . 1 1 33 33 LEU HD23 H 1 0.811 0.001 . . . . . . . . . . 6345 1 327 . 1 1 34 34 LEU C C 13 179.128 0.000 . . . . . . . . . . 6345 1 328 . 1 1 34 34 LEU CA C 13 57.943 0.100 . . . . . . . . . . 6345 1 329 . 1 1 34 34 LEU CB C 13 42.797 0.057 . . . . . . . . . . 6345 1 330 . 1 1 34 34 LEU CD1 C 13 25.526 0.111 . . . . . . . . . . 6345 1 331 . 1 1 34 34 LEU CD2 C 13 24.308 0.125 . . . . . . . . . . 6345 1 332 . 1 1 34 34 LEU HA H 1 4.015 0.009 . . . . . . . . . . 6345 1 333 . 1 1 34 34 LEU HB2 H 1 1.502 0.017 . . . . . . . . . . 6345 1 334 . 1 1 34 34 LEU HB3 H 1 1.997 0.011 . . . . . . . . . . 6345 1 335 . 1 1 34 34 LEU HG H 1 1.717 0.000 . . . . . . . . . . 6345 1 336 . 1 1 34 34 LEU H H 1 7.779 0.009 . . . . . . . . . . 6345 1 337 . 1 1 34 34 LEU N N 15 117.881 0.079 . . . . . . . . . . 6345 1 338 . 1 1 34 34 LEU HD11 H 1 0.609 0.008 . . . . . . . . . . 6345 1 339 . 1 1 34 34 LEU HD12 H 1 0.609 0.008 . . . . . . . . . . 6345 1 340 . 1 1 34 34 LEU HD13 H 1 0.609 0.008 . . . . . . . . . . 6345 1 341 . 1 1 34 34 LEU HD21 H 1 0.394 0.013 . . . . . . . . . . 6345 1 342 . 1 1 34 34 LEU HD22 H 1 0.394 0.013 . . . . . . . . . . 6345 1 343 . 1 1 34 34 LEU HD23 H 1 0.394 0.013 . . . . . . . . . . 6345 1 344 . 1 1 35 35 LYS C C 13 177.337 0.000 . . . . . . . . . . 6345 1 345 . 1 1 35 35 LYS CA C 13 57.185 0.089 . . . . . . . . . . 6345 1 346 . 1 1 35 35 LYS CB C 13 31.699 0.093 . . . . . . . . . . 6345 1 347 . 1 1 35 35 LYS CD C 13 28.671 0.000 . . . . . . . . . . 6345 1 348 . 1 1 35 35 LYS CE C 13 41.743 0.010 . . . . . . . . . . 6345 1 349 . 1 1 35 35 LYS CG C 13 25.400 0.000 . . . . . . . . . . 6345 1 350 . 1 1 35 35 LYS HA H 1 4.255 0.008 . . . . . . . . . . 6345 1 351 . 1 1 35 35 LYS HB2 H 1 1.939 0.017 . . . . . . . . . . 6345 1 352 . 1 1 35 35 LYS HB3 H 1 1.670 0.011 . . . . . . . . . . 6345 1 353 . 1 1 35 35 LYS H H 1 8.658 0.011 . . . . . . . . . . 6345 1 354 . 1 1 35 35 LYS N N 15 116.289 0.072 . . . . . . . . . . 6345 1 355 . 1 1 36 36 GLY C C 13 173.847 0.000 . . . . . . . . . . 6345 1 356 . 1 1 36 36 GLY CA C 13 45.410 0.067 . . . . . . . . . . 6345 1 357 . 1 1 36 36 GLY HA2 H 1 3.837 0.014 . . . . . . . . . . 6345 1 358 . 1 1 36 36 GLY HA3 H 1 4.095 0.014 . . . . . . . . . . 6345 1 359 . 1 1 36 36 GLY H H 1 7.602 0.008 . . . . . . . . . . 6345 1 360 . 1 1 36 36 GLY N N 15 105.910 0.069 . . . . . . . . . . 6345 1 361 . 1 1 37 37 ASP C C 13 176.838 0.000 . . . . . . . . . . 6345 1 362 . 1 1 37 37 ASP CA C 13 54.767 0.068 . . . . . . . . . . 6345 1 363 . 1 1 37 37 ASP CB C 13 43.134 0.114 . . . . . . . . . . 6345 1 364 . 1 1 37 37 ASP HA H 1 4.670 0.012 . . . . . . . . . . 6345 1 365 . 1 1 37 37 ASP HB2 H 1 2.604 0.000 . . . . . . . . . . 6345 1 366 . 1 1 37 37 ASP HB3 H 1 2.759 0.013 . . . . . . . . . . 6345 1 367 . 1 1 37 37 ASP H H 1 7.016 0.012 . . . . . . . . . . 6345 1 368 . 1 1 37 37 ASP N N 15 119.631 0.031 . . . . . . . . . . 6345 1 369 . 1 1 38 38 VAL C C 13 176.510 0.000 . . . . . . . . . . 6345 1 370 . 1 1 38 38 VAL CA C 13 61.738 0.088 . . . . . . . . . . 6345 1 371 . 1 1 38 38 VAL CB C 13 31.591 0.128 . . . . . . . . . . 6345 1 372 . 1 1 38 38 VAL CG1 C 13 21.344 0.095 . . . . . . . . . . 6345 1 373 . 1 1 38 38 VAL CG2 C 13 18.937 0.079 . . . . . . . . . . 6345 1 374 . 1 1 38 38 VAL HA H 1 4.327 0.014 . . . . . . . . . . 6345 1 375 . 1 1 38 38 VAL HB H 1 2.393 0.006 . . . . . . . . . . 6345 1 376 . 1 1 38 38 VAL H H 1 8.372 0.013 . . . . . . . . . . 6345 1 377 . 1 1 38 38 VAL N N 15 120.820 0.098 . . . . . . . . . . 6345 1 378 . 1 1 38 38 VAL HG11 H 1 0.963 0.010 . . . . . . . . . . 6345 1 379 . 1 1 38 38 VAL HG12 H 1 0.963 0.010 . . . . . . . . . . 6345 1 380 . 1 1 38 38 VAL HG13 H 1 0.963 0.010 . . . . . . . . . . 6345 1 381 . 1 1 38 38 VAL HG21 H 1 0.889 0.010 . . . . . . . . . . 6345 1 382 . 1 1 38 38 VAL HG22 H 1 0.889 0.010 . . . . . . . . . . 6345 1 383 . 1 1 38 38 VAL HG23 H 1 0.889 0.010 . . . . . . . . . . 6345 1 384 . 1 1 39 39 SER C C 13 174.440 0.000 . . . . . . . . . . 6345 1 385 . 1 1 39 39 SER CA C 13 59.571 0.091 . . . . . . . . . . 6345 1 386 . 1 1 39 39 SER CB C 13 64.422 0.085 . . . . . . . . . . 6345 1 387 . 1 1 39 39 SER HA H 1 4.316 0.009 . . . . . . . . . . 6345 1 388 . 1 1 39 39 SER HB2 H 1 3.906 0.007 . . . . . . . . . . 6345 1 389 . 1 1 39 39 SER H H 1 8.222 0.009 . . . . . . . . . . 6345 1 390 . 1 1 39 39 SER N N 15 117.173 0.064 . . . . . . . . . . 6345 1 391 . 1 1 40 40 HIS C C 13 174.290 0.000 . . . . . . . . . . 6345 1 392 . 1 1 40 40 HIS CA C 13 56.139 0.035 . . . . . . . . . . 6345 1 393 . 1 1 40 40 HIS CB C 13 27.505 0.024 . . . . . . . . . . 6345 1 394 . 1 1 40 40 HIS HA H 1 4.309 0.008 . . . . . . . . . . 6345 1 395 . 1 1 40 40 HIS HB2 H 1 3.146 0.019 . . . . . . . . . . 6345 1 396 . 1 1 40 40 HIS HB3 H 1 3.384 0.000 . . . . . . . . . . 6345 1 397 . 1 1 40 40 HIS H H 1 8.103 0.011 . . . . . . . . . . 6345 1 398 . 1 1 40 40 HIS N N 15 117.831 0.095 . . . . . . . . . . 6345 1 399 . 1 1 41 41 ARG C C 13 175.847 0.000 . . . . . . . . . . 6345 1 400 . 1 1 41 41 ARG CA C 13 57.458 0.104 . . . . . . . . . . 6345 1 401 . 1 1 41 41 ARG CB C 13 31.745 0.066 . . . . . . . . . . 6345 1 402 . 1 1 41 41 ARG CD C 13 43.585 0.000 . . . . . . . . . . 6345 1 403 . 1 1 41 41 ARG CG C 13 27.518 0.005 . . . . . . . . . . 6345 1 404 . 1 1 41 41 ARG HA H 1 4.235 0.012 . . . . . . . . . . 6345 1 405 . 1 1 41 41 ARG HB2 H 1 1.899 0.000 . . . . . . . . . . 6345 1 406 . 1 1 41 41 ARG H H 1 8.142 0.009 . . . . . . . . . . 6345 1 407 . 1 1 41 41 ARG N N 15 118.094 0.051 . . . . . . . . . . 6345 1 408 . 1 1 41 41 ARG HG2 H 1 1.685 0.000 . . . . . . . . . . 6345 1 409 . 1 1 42 42 PHE C C 13 173.705 0.000 . . . . . . . . . . 6345 1 410 . 1 1 42 42 PHE CA C 13 55.390 0.123 . . . . . . . . . . 6345 1 411 . 1 1 42 42 PHE CB C 13 41.387 0.067 . . . . . . . . . . 6345 1 412 . 1 1 42 42 PHE HA H 1 5.394 0.004 . . . . . . . . . . 6345 1 413 . 1 1 42 42 PHE HB2 H 1 3.038 0.014 . . . . . . . . . . 6345 1 414 . 1 1 42 42 PHE HB3 H 1 2.881 0.000 . . . . . . . . . . 6345 1 415 . 1 1 42 42 PHE H H 1 7.394 0.013 . . . . . . . . . . 6345 1 416 . 1 1 42 42 PHE N N 15 113.603 0.055 . . . . . . . . . . 6345 1 417 . 1 1 42 42 PHE HD2 H 1 7.082 0.007 . . . . . . . . . . 6345 1 418 . 1 1 42 42 PHE HE1 H 1 6.757 0.006 . . . . . . . . . . 6345 1 419 . 1 1 43 43 ASP C C 13 174.851 0.000 . . . . . . . . . . 6345 1 420 . 1 1 43 43 ASP CA C 13 53.112 0.110 . . . . . . . . . . 6345 1 421 . 1 1 43 43 ASP CB C 13 43.610 0.109 . . . . . . . . . . 6345 1 422 . 1 1 43 43 ASP HA H 1 5.128 0.017 . . . . . . . . . . 6345 1 423 . 1 1 43 43 ASP HB2 H 1 2.684 0.013 . . . . . . . . . . 6345 1 424 . 1 1 43 43 ASP HB3 H 1 2.523 0.008 . . . . . . . . . . 6345 1 425 . 1 1 43 43 ASP H H 1 9.263 0.009 . . . . . . . . . . 6345 1 426 . 1 1 43 43 ASP N N 15 122.081 0.053 . . . . . . . . . . 6345 1 427 . 1 1 44 44 VAL C C 13 175.557 0.000 . . . . . . . . . . 6345 1 428 . 1 1 44 44 VAL CA C 13 61.160 0.145 . . . . . . . . . . 6345 1 429 . 1 1 44 44 VAL CB C 13 33.976 0.154 . . . . . . . . . . 6345 1 430 . 1 1 44 44 VAL CG1 C 13 23.761 0.126 . . . . . . . . . . 6345 1 431 . 1 1 44 44 VAL CG2 C 13 21.007 0.033 . . . . . . . . . . 6345 1 432 . 1 1 44 44 VAL HA H 1 5.097 0.010 . . . . . . . . . . 6345 1 433 . 1 1 44 44 VAL HB H 1 1.995 0.010 . . . . . . . . . . 6345 1 434 . 1 1 44 44 VAL H H 1 8.659 0.008 . . . . . . . . . . 6345 1 435 . 1 1 44 44 VAL N N 15 121.289 0.067 . . . . . . . . . . 6345 1 436 . 1 1 44 44 VAL HG11 H 1 1.050 0.009 . . . . . . . . . . 6345 1 437 . 1 1 44 44 VAL HG12 H 1 1.050 0.009 . . . . . . . . . . 6345 1 438 . 1 1 44 44 VAL HG13 H 1 1.050 0.009 . . . . . . . . . . 6345 1 439 . 1 1 44 44 VAL HG21 H 1 0.839 0.008 . . . . . . . . . . 6345 1 440 . 1 1 44 44 VAL HG22 H 1 0.839 0.008 . . . . . . . . . . 6345 1 441 . 1 1 44 44 VAL HG23 H 1 0.839 0.008 . . . . . . . . . . 6345 1 442 . 1 1 45 45 GLU C C 13 174.439 0.000 . . . . . . . . . . 6345 1 443 . 1 1 45 45 GLU CA C 13 54.420 0.065 . . . . . . . . . . 6345 1 444 . 1 1 45 45 GLU CB C 13 32.421 0.258 . . . . . . . . . . 6345 1 445 . 1 1 45 45 GLU CG C 13 36.448 0.154 . . . . . . . . . . 6345 1 446 . 1 1 45 45 GLU HA H 1 4.663 0.013 . . . . . . . . . . 6345 1 447 . 1 1 45 45 GLU HB2 H 1 1.843 0.003 . . . . . . . . . . 6345 1 448 . 1 1 45 45 GLU HB3 H 1 2.066 0.018 . . . . . . . . . . 6345 1 449 . 1 1 45 45 GLU HG2 H 1 2.166 0.009 . . . . . . . . . . 6345 1 450 . 1 1 45 45 GLU HG3 H 1 1.881 0.013 . . . . . . . . . . 6345 1 451 . 1 1 45 45 GLU H H 1 9.147 0.010 . . . . . . . . . . 6345 1 452 . 1 1 45 45 GLU N N 15 130.038 0.062 . . . . . . . . . . 6345 1 453 . 1 1 46 46 ILE C C 13 174.653 0.000 . . . . . . . . . . 6345 1 454 . 1 1 46 46 ILE CA C 13 61.039 0.094 . . . . . . . . . . 6345 1 455 . 1 1 46 46 ILE CB C 13 36.954 0.150 . . . . . . . . . . 6345 1 456 . 1 1 46 46 ILE CD1 C 13 14.034 0.093 . . . . . . . . . . 6345 1 457 . 1 1 46 46 ILE CG2 C 13 18.294 0.079 . . . . . . . . . . 6345 1 458 . 1 1 46 46 ILE HA H 1 4.481 0.013 . . . . . . . . . . 6345 1 459 . 1 1 46 46 ILE HB H 1 1.906 0.009 . . . . . . . . . . 6345 1 460 . 1 1 46 46 ILE HG13 H 1 1.613 0.013 . . . . . . . . . . 6345 1 461 . 1 1 46 46 ILE H H 1 8.787 0.009 . . . . . . . . . . 6345 1 462 . 1 1 46 46 ILE N N 15 128.177 0.057 . . . . . . . . . . 6345 1 463 . 1 1 46 46 ILE HD11 H 1 0.948 0.011 . . . . . . . . . . 6345 1 464 . 1 1 46 46 ILE HD12 H 1 0.948 0.011 . . . . . . . . . . 6345 1 465 . 1 1 46 46 ILE HD13 H 1 0.948 0.011 . . . . . . . . . . 6345 1 466 . 1 1 46 46 ILE HG21 H 1 0.818 0.008 . . . . . . . . . . 6345 1 467 . 1 1 46 46 ILE HG22 H 1 0.818 0.008 . . . . . . . . . . 6345 1 468 . 1 1 46 46 ILE HG23 H 1 0.818 0.008 . . . . . . . . . . 6345 1 469 . 1 1 47 47 ALA C C 13 175.387 0.000 . . . . . . . . . . 6345 1 470 . 1 1 47 47 ALA CA C 13 51.006 0.100 . . . . . . . . . . 6345 1 471 . 1 1 47 47 ALA CB C 13 20.358 0.112 . . . . . . . . . . 6345 1 472 . 1 1 47 47 ALA HA H 1 4.579 0.012 . . . . . . . . . . 6345 1 473 . 1 1 47 47 ALA H H 1 9.189 0.008 . . . . . . . . . . 6345 1 474 . 1 1 47 47 ALA N N 15 134.507 0.073 . . . . . . . . . . 6345 1 475 . 1 1 47 47 ALA HB1 H 1 0.754 0.010 . . . . . . . . . . 6345 1 476 . 1 1 47 47 ALA HB2 H 1 0.754 0.010 . . . . . . . . . . 6345 1 477 . 1 1 47 47 ALA HB3 H 1 0.754 0.010 . . . . . . . . . . 6345 1 478 . 1 1 48 48 ASN C C 13 174.107 0.000 . . . . . . . . . . 6345 1 479 . 1 1 48 48 ASN CA C 13 52.164 0.097 . . . . . . . . . . 6345 1 480 . 1 1 48 48 ASN CB C 13 40.186 0.109 . . . . . . . . . . 6345 1 481 . 1 1 48 48 ASN HA H 1 5.423 0.009 . . . . . . . . . . 6345 1 482 . 1 1 48 48 ASN HB2 H 1 2.925 0.007 . . . . . . . . . . 6345 1 483 . 1 1 48 48 ASN HB3 H 1 3.170 0.018 . . . . . . . . . . 6345 1 484 . 1 1 48 48 ASN HD21 H 1 7.685 0.008 . . . . . . . . . . 6345 1 485 . 1 1 48 48 ASN HD22 H 1 6.803 0.001 . . . . . . . . . . 6345 1 486 . 1 1 48 48 ASN H H 1 8.597 0.009 . . . . . . . . . . 6345 1 487 . 1 1 48 48 ASN N N 15 120.325 0.084 . . . . . . . . . . 6345 1 488 . 1 1 48 48 ASN ND2 N 15 109.614 0.026 . . . . . . . . . . 6345 1 489 . 1 1 49 49 ARG C C 13 173.548 0.000 . . . . . . . . . . 6345 1 490 . 1 1 49 49 ARG CA C 13 54.088 0.059 . . . . . . . . . . 6345 1 491 . 1 1 49 49 ARG CB C 13 33.665 0.171 . . . . . . . . . . 6345 1 492 . 1 1 49 49 ARG CD C 13 43.460 0.087 . . . . . . . . . . 6345 1 493 . 1 1 49 49 ARG HA H 1 4.801 0.009 . . . . . . . . . . 6345 1 494 . 1 1 49 49 ARG HB2 H 1 1.560 0.019 . . . . . . . . . . 6345 1 495 . 1 1 49 49 ARG HB3 H 1 1.238 0.009 . . . . . . . . . . 6345 1 496 . 1 1 49 49 ARG HD2 H 1 3.296 0.017 . . . . . . . . . . 6345 1 497 . 1 1 49 49 ARG H H 1 7.073 0.009 . . . . . . . . . . 6345 1 498 . 1 1 49 49 ARG N N 15 117.296 0.053 . . . . . . . . . . 6345 1 499 . 1 1 50 50 PHE CA C 13 57.102 0.013 . . . . . . . . . . 6345 1 500 . 1 1 50 50 PHE CB C 13 39.977 0.136 . . . . . . . . . . 6345 1 501 . 1 1 50 50 PHE HA H 1 3.991 0.014 . . . . . . . . . . 6345 1 502 . 1 1 50 50 PHE HB2 H 1 3.319 0.007 . . . . . . . . . . 6345 1 503 . 1 1 50 50 PHE HB3 H 1 3.583 0.010 . . . . . . . . . . 6345 1 504 . 1 1 50 50 PHE H H 1 9.101 0.008 . . . . . . . . . . 6345 1 505 . 1 1 50 50 PHE N N 15 124.064 0.062 . . . . . . . . . . 6345 1 506 . 1 1 50 50 PHE HD2 H 1 7.746 0.004 . . . . . . . . . . 6345 1 507 . 1 1 51 51 PRO C C 13 174.786 0.000 . . . . . . . . . . 6345 1 508 . 1 1 51 51 PRO CA C 13 62.961 0.141 . . . . . . . . . . 6345 1 509 . 1 1 51 51 PRO CB C 13 32.868 0.006 . . . . . . . . . . 6345 1 510 . 1 1 51 51 PRO CD C 13 49.855 0.130 . . . . . . . . . . 6345 1 511 . 1 1 51 51 PRO CG C 13 26.216 0.000 . . . . . . . . . . 6345 1 512 . 1 1 51 51 PRO HA H 1 4.735 0.000 . . . . . . . . . . 6345 1 513 . 1 1 51 51 PRO HB2 H 1 1.072 0.007 . . . . . . . . . . 6345 1 514 . 1 1 51 51 PRO HB3 H 1 0.788 0.009 . . . . . . . . . . 6345 1 515 . 1 1 51 51 PRO HD2 H 1 2.204 0.010 . . . . . . . . . . 6345 1 516 . 1 1 51 51 PRO HD3 H 1 3.019 0.007 . . . . . . . . . . 6345 1 517 . 1 1 52 52 THR C C 13 174.641 0.000 . . . . . . . . . . 6345 1 518 . 1 1 52 52 THR CA C 13 62.006 0.115 . . . . . . . . . . 6345 1 519 . 1 1 52 52 THR CB C 13 70.660 0.097 . . . . . . . . . . 6345 1 520 . 1 1 52 52 THR CG2 C 13 22.511 0.070 . . . . . . . . . . 6345 1 521 . 1 1 52 52 THR HA H 1 4.488 0.010 . . . . . . . . . . 6345 1 522 . 1 1 52 52 THR HB H 1 4.777 0.015 . . . . . . . . . . 6345 1 523 . 1 1 52 52 THR H H 1 8.404 0.009 . . . . . . . . . . 6345 1 524 . 1 1 52 52 THR N N 15 109.364 0.065 . . . . . . . . . . 6345 1 525 . 1 1 52 52 THR HG21 H 1 1.397 0.015 . . . . . . . . . . 6345 1 526 . 1 1 52 52 THR HG22 H 1 1.397 0.015 . . . . . . . . . . 6345 1 527 . 1 1 52 52 THR HG23 H 1 1.397 0.015 . . . . . . . . . . 6345 1 528 . 1 1 53 53 TRP C C 13 177.761 0.000 . . . . . . . . . . 6345 1 529 . 1 1 53 53 TRP CA C 13 62.586 0.000 . . . . . . . . . . 6345 1 530 . 1 1 53 53 TRP CB C 13 28.448 0.083 . . . . . . . . . . 6345 1 531 . 1 1 53 53 TRP HA H 1 4.833 0.000 . . . . . . . . . . 6345 1 532 . 1 1 53 53 TRP H H 1 8.925 0.007 . . . . . . . . . . 6345 1 533 . 1 1 53 53 TRP N N 15 122.406 0.136 . . . . . . . . . . 6345 1 534 . 1 1 54 54 ASP C C 13 179.947 0.000 . . . . . . . . . . 6345 1 535 . 1 1 54 54 ASP CA C 13 57.726 0.072 . . . . . . . . . . 6345 1 536 . 1 1 54 54 ASP CB C 13 40.686 0.071 . . . . . . . . . . 6345 1 537 . 1 1 54 54 ASP HA H 1 4.174 0.004 . . . . . . . . . . 6345 1 538 . 1 1 54 54 ASP HB2 H 1 2.539 0.000 . . . . . . . . . . 6345 1 539 . 1 1 54 54 ASP HB3 H 1 2.623 0.000 . . . . . . . . . . 6345 1 540 . 1 1 54 54 ASP H H 1 8.492 0.010 . . . . . . . . . . 6345 1 541 . 1 1 54 54 ASP N N 15 115.261 0.022 . . . . . . . . . . 6345 1 542 . 1 1 55 55 GLN C C 13 178.050 0.000 . . . . . . . . . . 6345 1 543 . 1 1 55 55 GLN CA C 13 59.589 0.092 . . . . . . . . . . 6345 1 544 . 1 1 55 55 GLN CB C 13 29.868 0.134 . . . . . . . . . . 6345 1 545 . 1 1 55 55 GLN CG C 13 35.283 0.000 . . . . . . . . . . 6345 1 546 . 1 1 55 55 GLN H H 1 7.840 0.010 . . . . . . . . . . 6345 1 547 . 1 1 55 55 GLN N N 15 119.653 0.048 . . . . . . . . . . 6345 1 548 . 1 1 56 56 LEU C C 13 178.441 0.000 . . . . . . . . . . 6345 1 549 . 1 1 56 56 LEU CA C 13 58.619 0.117 . . . . . . . . . . 6345 1 550 . 1 1 56 56 LEU CB C 13 42.158 0.054 . . . . . . . . . . 6345 1 551 . 1 1 56 56 LEU CD1 C 13 26.444 0.090 . . . . . . . . . . 6345 1 552 . 1 1 56 56 LEU CD2 C 13 25.611 0.081 . . . . . . . . . . 6345 1 553 . 1 1 56 56 LEU HA H 1 3.801 0.006 . . . . . . . . . . 6345 1 554 . 1 1 56 56 LEU HB2 H 1 1.433 0.023 . . . . . . . . . . 6345 1 555 . 1 1 56 56 LEU HG H 1 1.391 0.013 . . . . . . . . . . 6345 1 556 . 1 1 56 56 LEU H H 1 8.741 0.009 . . . . . . . . . . 6345 1 557 . 1 1 56 56 LEU N N 15 120.961 0.087 . . . . . . . . . . 6345 1 558 . 1 1 56 56 LEU HD11 H 1 0.828 0.008 . . . . . . . . . . 6345 1 559 . 1 1 56 56 LEU HD12 H 1 0.828 0.008 . . . . . . . . . . 6345 1 560 . 1 1 56 56 LEU HD13 H 1 0.828 0.008 . . . . . . . . . . 6345 1 561 . 1 1 56 56 LEU HD21 H 1 0.785 0.006 . . . . . . . . . . 6345 1 562 . 1 1 56 56 LEU HD22 H 1 0.785 0.006 . . . . . . . . . . 6345 1 563 . 1 1 56 56 LEU HD23 H 1 0.785 0.006 . . . . . . . . . . 6345 1 564 . 1 1 57 57 GLN C C 13 179.104 0.000 . . . . . . . . . . 6345 1 565 . 1 1 57 57 GLN CA C 13 58.065 0.060 . . . . . . . . . . 6345 1 566 . 1 1 57 57 GLN CB C 13 27.307 0.180 . . . . . . . . . . 6345 1 567 . 1 1 57 57 GLN HA H 1 3.854 0.009 . . . . . . . . . . 6345 1 568 . 1 1 57 57 GLN HB2 H 1 1.953 0.016 . . . . . . . . . . 6345 1 569 . 1 1 57 57 GLN HB3 H 1 2.045 0.009 . . . . . . . . . . 6345 1 570 . 1 1 57 57 GLN H H 1 8.356 0.013 . . . . . . . . . . 6345 1 571 . 1 1 57 57 GLN N N 15 116.595 0.142 . . . . . . . . . . 6345 1 572 . 1 1 58 58 TYR C C 13 178.648 0.000 . . . . . . . . . . 6345 1 573 . 1 1 58 58 TYR CA C 13 62.000 0.041 . . . . . . . . . . 6345 1 574 . 1 1 58 58 TYR CB C 13 39.271 0.115 . . . . . . . . . . 6345 1 575 . 1 1 58 58 TYR HA H 1 5.020 0.002 . . . . . . . . . . 6345 1 576 . 1 1 58 58 TYR HB2 H 1 2.957 0.008 . . . . . . . . . . 6345 1 577 . 1 1 58 58 TYR HB3 H 1 2.285 0.005 . . . . . . . . . . 6345 1 578 . 1 1 58 58 TYR H H 1 8.059 0.015 . . . . . . . . . . 6345 1 579 . 1 1 58 58 TYR N N 15 122.500 0.074 . . . . . . . . . . 6345 1 580 . 1 1 58 58 TYR HD1 H 1 6.929 0.012 . . . . . . . . . . 6345 1 581 . 1 1 58 58 TYR HE1 H 1 7.308 0.006 . . . . . . . . . . 6345 1 582 . 1 1 59 59 MET C C 13 176.441 0.000 . . . . . . . . . . 6345 1 583 . 1 1 59 59 MET CA C 13 60.572 0.102 . . . . . . . . . . 6345 1 584 . 1 1 59 59 MET CB C 13 35.987 0.094 . . . . . . . . . . 6345 1 585 . 1 1 59 59 MET CE C 13 17.561 0.035 . . . . . . . . . . 6345 1 586 . 1 1 59 59 MET CG C 13 33.627 0.004 . . . . . . . . . . 6345 1 587 . 1 1 59 59 MET HA H 1 4.085 0.003 . . . . . . . . . . 6345 1 588 . 1 1 59 59 MET HB2 H 1 2.142 0.002 . . . . . . . . . . 6345 1 589 . 1 1 59 59 MET HB3 H 1 1.503 0.000 . . . . . . . . . . 6345 1 590 . 1 1 59 59 MET H H 1 8.290 0.010 . . . . . . . . . . 6345 1 591 . 1 1 59 59 MET N N 15 117.747 0.055 . . . . . . . . . . 6345 1 592 . 1 1 59 59 MET HE1 H 1 1.676 0.011 . . . . . . . . . . 6345 1 593 . 1 1 59 59 MET HE2 H 1 1.676 0.011 . . . . . . . . . . 6345 1 594 . 1 1 59 59 MET HE3 H 1 1.676 0.011 . . . . . . . . . . 6345 1 595 . 1 1 59 59 MET HG2 H 1 1.933 0.000 . . . . . . . . . . 6345 1 596 . 1 1 60 60 ARG C C 13 177.612 0.000 . . . . . . . . . . 6345 1 597 . 1 1 60 60 ARG CA C 13 59.442 0.139 . . . . . . . . . . 6345 1 598 . 1 1 60 60 ARG CB C 13 31.329 0.184 . . . . . . . . . . 6345 1 599 . 1 1 60 60 ARG CD C 13 43.819 0.000 . . . . . . . . . . 6345 1 600 . 1 1 60 60 ARG HA H 1 3.588 0.010 . . . . . . . . . . 6345 1 601 . 1 1 60 60 ARG HB2 H 1 1.742 0.002 . . . . . . . . . . 6345 1 602 . 1 1 60 60 ARG HB3 H 1 1.580 0.000 . . . . . . . . . . 6345 1 603 . 1 1 60 60 ARG HG2 H 1 1.546 0.006 . . . . . . . . . . 6345 1 604 . 1 1 60 60 ARG H H 1 8.241 0.012 . . . . . . . . . . 6345 1 605 . 1 1 60 60 ARG N N 15 114.026 0.083 . . . . . . . . . . 6345 1 606 . 1 1 61 61 THR C C 13 176.461 0.000 . . . . . . . . . . 6345 1 607 . 1 1 61 61 THR CA C 13 63.665 0.117 . . . . . . . . . . 6345 1 608 . 1 1 61 61 THR CB C 13 70.846 0.190 . . . . . . . . . . 6345 1 609 . 1 1 61 61 THR CG2 C 13 21.513 0.026 . . . . . . . . . . 6345 1 610 . 1 1 61 61 THR HA H 1 4.307 0.011 . . . . . . . . . . 6345 1 611 . 1 1 61 61 THR HB H 1 4.201 0.005 . . . . . . . . . . 6345 1 612 . 1 1 61 61 THR H H 1 8.197 0.008 . . . . . . . . . . 6345 1 613 . 1 1 61 61 THR N N 15 107.922 0.046 . . . . . . . . . . 6345 1 614 . 1 1 61 61 THR HG21 H 1 1.206 0.016 . . . . . . . . . . 6345 1 615 . 1 1 61 61 THR HG22 H 1 1.206 0.016 . . . . . . . . . . 6345 1 616 . 1 1 61 61 THR HG23 H 1 1.206 0.016 . . . . . . . . . . 6345 1 617 . 1 1 62 62 SER C C 13 172.753 0.000 . . . . . . . . . . 6345 1 618 . 1 1 62 62 SER CA C 13 60.148 0.088 . . . . . . . . . . 6345 1 619 . 1 1 62 62 SER CB C 13 64.530 0.071 . . . . . . . . . . 6345 1 620 . 1 1 62 62 SER HA H 1 4.572 0.012 . . . . . . . . . . 6345 1 621 . 1 1 62 62 SER HB2 H 1 3.474 0.009 . . . . . . . . . . 6345 1 622 . 1 1 62 62 SER HB3 H 1 3.142 0.018 . . . . . . . . . . 6345 1 623 . 1 1 62 62 SER H H 1 7.947 0.008 . . . . . . . . . . 6345 1 624 . 1 1 62 62 SER N N 15 115.507 0.090 . . . . . . . . . . 6345 1 625 . 1 1 63 63 CYS CA C 13 55.060 0.094 . . . . . . . . . . 6345 1 626 . 1 1 63 63 CYS CB C 13 29.619 0.133 . . . . . . . . . . 6345 1 627 . 1 1 63 63 CYS HA H 1 5.100 0.012 . . . . . . . . . . 6345 1 628 . 1 1 63 63 CYS HB2 H 1 2.212 0.010 . . . . . . . . . . 6345 1 629 . 1 1 63 63 CYS HB3 H 1 3.472 0.011 . . . . . . . . . . 6345 1 630 . 1 1 63 63 CYS H H 1 6.315 0.010 . . . . . . . . . . 6345 1 631 . 1 1 63 63 CYS N N 15 115.981 0.129 . . . . . . . . . . 6345 1 632 . 1 1 64 64 PRO C C 13 177.853 0.000 . . . . . . . . . . 6345 1 633 . 1 1 64 64 PRO CA C 13 66.192 0.128 . . . . . . . . . . 6345 1 634 . 1 1 64 64 PRO CB C 13 32.394 0.136 . . . . . . . . . . 6345 1 635 . 1 1 64 64 PRO CD C 13 51.576 0.158 . . . . . . . . . . 6345 1 636 . 1 1 64 64 PRO CG C 13 27.779 0.209 . . . . . . . . . . 6345 1 637 . 1 1 64 64 PRO HA H 1 4.191 0.004 . . . . . . . . . . 6345 1 638 . 1 1 64 64 PRO HB2 H 1 2.022 0.012 . . . . . . . . . . 6345 1 639 . 1 1 64 64 PRO HB3 H 1 2.189 0.014 . . . . . . . . . . 6345 1 640 . 1 1 64 64 PRO HD2 H 1 4.061 0.006 . . . . . . . . . . 6345 1 641 . 1 1 64 64 PRO HD3 H 1 4.161 0.009 . . . . . . . . . . 6345 1 642 . 1 1 64 64 PRO HG2 H 1 2.445 0.011 . . . . . . . . . . 6345 1 643 . 1 1 65 65 GLN C C 13 175.912 0.932 . . . . . . . . . . 6345 1 644 . 1 1 65 65 GLN CA C 13 55.543 0.069 . . . . . . . . . . 6345 1 645 . 1 1 65 65 GLN CB C 13 27.938 0.084 . . . . . . . . . . 6345 1 646 . 1 1 65 65 GLN HA H 1 4.454 0.011 . . . . . . . . . . 6345 1 647 . 1 1 65 65 GLN HB2 H 1 2.217 0.000 . . . . . . . . . . 6345 1 648 . 1 1 65 65 GLN HB3 H 1 2.062 0.000 . . . . . . . . . . 6345 1 649 . 1 1 65 65 GLN HG2 H 1 2.402 0.017 . . . . . . . . . . 6345 1 650 . 1 1 65 65 GLN H H 1 8.559 0.007 . . . . . . . . . . 6345 1 651 . 1 1 65 65 GLN N N 15 113.821 0.036 . . . . . . . . . . 6345 1 652 . 1 1 66 66 GLY CA C 13 45.386 0.000 . . . . . . . . . . 6345 1 653 . 1 1 66 66 GLY HA2 H 1 3.220 0.011 . . . . . . . . . . 6345 1 654 . 1 1 66 66 GLY H H 1 8.422 0.009 . . . . . . . . . . 6345 1 655 . 1 1 66 66 GLY N N 15 110.453 0.129 . . . . . . . . . . 6345 1 656 . 1 1 67 67 PRO C C 13 178.686 0.000 . . . . . . . . . . 6345 1 657 . 1 1 67 67 PRO CA C 13 67.709 0.156 . . . . . . . . . . 6345 1 658 . 1 1 67 67 PRO CB C 13 31.848 0.003 . . . . . . . . . . 6345 1 659 . 1 1 67 67 PRO CG C 13 28.833 0.000 . . . . . . . . . . 6345 1 660 . 1 1 67 67 PRO HA H 1 3.855 0.007 . . . . . . . . . . 6345 1 661 . 1 1 67 67 PRO HB2 H 1 1.988 0.000 . . . . . . . . . . 6345 1 662 . 1 1 68 68 VAL C C 13 177.724 0.000 . . . . . . . . . . 6345 1 663 . 1 1 68 68 VAL CA C 13 65.462 0.110 . . . . . . . . . . 6345 1 664 . 1 1 68 68 VAL CB C 13 31.757 0.080 . . . . . . . . . . 6345 1 665 . 1 1 68 68 VAL CG1 C 13 22.255 0.071 . . . . . . . . . . 6345 1 666 . 1 1 68 68 VAL CG2 C 13 20.762 0.057 . . . . . . . . . . 6345 1 667 . 1 1 68 68 VAL HA H 1 3.796 0.015 . . . . . . . . . . 6345 1 668 . 1 1 68 68 VAL HB H 1 1.965 0.011 . . . . . . . . . . 6345 1 669 . 1 1 68 68 VAL H H 1 7.735 0.012 . . . . . . . . . . 6345 1 670 . 1 1 68 68 VAL N N 15 115.360 0.076 . . . . . . . . . . 6345 1 671 . 1 1 68 68 VAL HG11 H 1 0.995 0.007 . . . . . . . . . . 6345 1 672 . 1 1 68 68 VAL HG12 H 1 0.995 0.007 . . . . . . . . . . 6345 1 673 . 1 1 68 68 VAL HG13 H 1 0.995 0.007 . . . . . . . . . . 6345 1 674 . 1 1 68 68 VAL HG21 H 1 0.934 0.017 . . . . . . . . . . 6345 1 675 . 1 1 68 68 VAL HG22 H 1 0.934 0.017 . . . . . . . . . . 6345 1 676 . 1 1 68 68 VAL HG23 H 1 0.934 0.017 . . . . . . . . . . 6345 1 677 . 1 1 69 69 SER C C 13 177.565 0.000 . . . . . . . . . . 6345 1 678 . 1 1 69 69 SER CA C 13 61.162 0.093 . . . . . . . . . . 6345 1 679 . 1 1 69 69 SER CB C 13 63.247 0.074 . . . . . . . . . . 6345 1 680 . 1 1 69 69 SER HA H 1 4.831 0.013 . . . . . . . . . . 6345 1 681 . 1 1 69 69 SER HB2 H 1 3.512 0.010 . . . . . . . . . . 6345 1 682 . 1 1 69 69 SER HB3 H 1 3.171 0.021 . . . . . . . . . . 6345 1 683 . 1 1 69 69 SER H H 1 7.340 0.008 . . . . . . . . . . 6345 1 684 . 1 1 69 69 SER N N 15 117.171 0.074 . . . . . . . . . . 6345 1 685 . 1 1 70 70 LEU C C 13 177.993 0.000 . . . . . . . . . . 6345 1 686 . 1 1 70 70 LEU CA C 13 57.356 0.085 . . . . . . . . . . 6345 1 687 . 1 1 70 70 LEU CB C 13 43.070 0.166 . . . . . . . . . . 6345 1 688 . 1 1 70 70 LEU CD1 C 13 25.631 0.123 . . . . . . . . . . 6345 1 689 . 1 1 70 70 LEU CD2 C 13 22.671 0.191 . . . . . . . . . . 6345 1 690 . 1 1 70 70 LEU HA H 1 3.634 0.012 . . . . . . . . . . 6345 1 691 . 1 1 70 70 LEU HB2 H 1 1.795 0.012 . . . . . . . . . . 6345 1 692 . 1 1 70 70 LEU HB3 H 1 1.088 0.013 . . . . . . . . . . 6345 1 693 . 1 1 70 70 LEU HG H 1 1.567 0.000 . . . . . . . . . . 6345 1 694 . 1 1 70 70 LEU H H 1 8.779 0.010 . . . . . . . . . . 6345 1 695 . 1 1 70 70 LEU N N 15 120.847 0.079 . . . . . . . . . . 6345 1 696 . 1 1 70 70 LEU HD11 H 1 0.545 0.007 . . . . . . . . . . 6345 1 697 . 1 1 70 70 LEU HD12 H 1 0.545 0.007 . . . . . . . . . . 6345 1 698 . 1 1 70 70 LEU HD13 H 1 0.545 0.007 . . . . . . . . . . 6345 1 699 . 1 1 70 70 LEU HD21 H 1 0.567 0.006 . . . . . . . . . . 6345 1 700 . 1 1 70 70 LEU HD22 H 1 0.567 0.006 . . . . . . . . . . 6345 1 701 . 1 1 70 70 LEU HD23 H 1 0.567 0.006 . . . . . . . . . . 6345 1 702 . 1 1 71 71 GLN C C 13 177.727 0.000 . . . . . . . . . . 6345 1 703 . 1 1 71 71 GLN CA C 13 58.154 0.076 . . . . . . . . . . 6345 1 704 . 1 1 71 71 GLN CB C 13 28.238 0.114 . . . . . . . . . . 6345 1 705 . 1 1 71 71 GLN CG C 13 34.161 0.056 . . . . . . . . . . 6345 1 706 . 1 1 71 71 GLN HA H 1 3.935 0.009 . . . . . . . . . . 6345 1 707 . 1 1 71 71 GLN HB2 H 1 2.096 0.013 . . . . . . . . . . 6345 1 708 . 1 1 71 71 GLN HG2 H 1 2.401 0.016 . . . . . . . . . . 6345 1 709 . 1 1 71 71 GLN H H 1 7.769 0.009 . . . . . . . . . . 6345 1 710 . 1 1 71 71 GLN N N 15 118.407 0.130 . . . . . . . . . . 6345 1 711 . 1 1 72 72 ARG C C 13 177.118 0.000 . . . . . . . . . . 6345 1 712 . 1 1 72 72 ARG CA C 13 58.879 0.087 . . . . . . . . . . 6345 1 713 . 1 1 72 72 ARG CB C 13 30.264 0.110 . . . . . . . . . . 6345 1 714 . 1 1 72 72 ARG CD C 13 43.514 0.171 . . . . . . . . . . 6345 1 715 . 1 1 72 72 ARG CG C 13 28.358 0.130 . . . . . . . . . . 6345 1 716 . 1 1 72 72 ARG HA H 1 3.894 0.010 . . . . . . . . . . 6345 1 717 . 1 1 72 72 ARG HD2 H 1 3.069 0.014 . . . . . . . . . . 6345 1 718 . 1 1 72 72 ARG HG2 H 1 1.526 0.005 . . . . . . . . . . 6345 1 719 . 1 1 72 72 ARG H H 1 7.225 0.009 . . . . . . . . . . 6345 1 720 . 1 1 72 72 ARG N N 15 115.567 0.031 . . . . . . . . . . 6345 1 721 . 1 1 73 73 GLN C C 13 174.481 0.000 . . . . . . . . . . 6345 1 722 . 1 1 73 73 GLN CA C 13 56.085 0.023 . . . . . . . . . . 6345 1 723 . 1 1 73 73 GLN CB C 13 32.269 0.176 . . . . . . . . . . 6345 1 724 . 1 1 73 73 GLN CG C 13 32.596 0.000 . . . . . . . . . . 6345 1 725 . 1 1 73 73 GLN HA H 1 3.657 0.012 . . . . . . . . . . 6345 1 726 . 1 1 73 73 GLN H H 1 6.952 0.008 . . . . . . . . . . 6345 1 727 . 1 1 73 73 GLN N N 15 117.089 0.067 . . . . . . . . . . 6345 1 728 . 1 1 74 74 ILE CA C 13 58.106 0.171 . . . . . . . . . . 6345 1 729 . 1 1 74 74 ILE CB C 13 38.795 0.099 . . . . . . . . . . 6345 1 730 . 1 1 74 74 ILE CD1 C 13 15.308 0.120 . . . . . . . . . . 6345 1 731 . 1 1 74 74 ILE CG1 C 13 27.392 0.380 . . . . . . . . . . 6345 1 732 . 1 1 74 74 ILE CG2 C 13 16.342 0.083 . . . . . . . . . . 6345 1 733 . 1 1 74 74 ILE HA H 1 4.611 0.009 . . . . . . . . . . 6345 1 734 . 1 1 74 74 ILE HB H 1 1.963 0.012 . . . . . . . . . . 6345 1 735 . 1 1 74 74 ILE HG12 H 1 1.083 0.018 . . . . . . . . . . 6345 1 736 . 1 1 74 74 ILE HG13 H 1 1.269 0.007 . . . . . . . . . . 6345 1 737 . 1 1 74 74 ILE H H 1 8.281 0.011 . . . . . . . . . . 6345 1 738 . 1 1 74 74 ILE N N 15 119.920 0.114 . . . . . . . . . . 6345 1 739 . 1 1 74 74 ILE HD11 H 1 0.658 0.008 . . . . . . . . . . 6345 1 740 . 1 1 74 74 ILE HD12 H 1 0.658 0.008 . . . . . . . . . . 6345 1 741 . 1 1 74 74 ILE HD13 H 1 0.658 0.008 . . . . . . . . . . 6345 1 742 . 1 1 74 74 ILE HG21 H 1 1.042 0.008 . . . . . . . . . . 6345 1 743 . 1 1 74 74 ILE HG22 H 1 1.042 0.008 . . . . . . . . . . 6345 1 744 . 1 1 74 74 ILE HG23 H 1 1.042 0.008 . . . . . . . . . . 6345 1 745 . 1 1 75 75 PRO CD C 13 50.551 0.137 . . . . . . . . . . 6345 1 746 . 1 1 75 75 PRO HB2 H 1 1.620 0.000 . . . . . . . . . . 6345 1 747 . 1 1 75 75 PRO HB3 H 1 1.878 0.000 . . . . . . . . . . 6345 1 748 . 1 1 75 75 PRO HD2 H 1 3.410 0.004 . . . . . . . . . . 6345 1 749 . 1 1 75 75 PRO HD3 H 1 3.532 0.000 . . . . . . . . . . 6345 1 750 . 1 1 75 75 PRO HG2 H 1 2.425 0.000 . . . . . . . . . . 6345 1 751 . 1 1 76 76 LYS C C 13 176.276 0.000 . . . . . . . . . . 6345 1 752 . 1 1 76 76 LYS CA C 13 54.934 0.121 . . . . . . . . . . 6345 1 753 . 1 1 76 76 LYS CB C 13 31.357 0.153 . . . . . . . . . . 6345 1 754 . 1 1 76 76 LYS CE C 13 42.293 0.000 . . . . . . . . . . 6345 1 755 . 1 1 76 76 LYS HA H 1 4.851 0.009 . . . . . . . . . . 6345 1 756 . 1 1 76 76 LYS HB2 H 1 2.232 0.000 . . . . . . . . . . 6345 1 757 . 1 1 76 76 LYS HB3 H 1 1.558 0.000 . . . . . . . . . . 6345 1 758 . 1 1 77 77 LEU C C 13 176.399 0.000 . . . . . . . . . . 6345 1 759 . 1 1 77 77 LEU CA C 13 59.106 0.136 . . . . . . . . . . 6345 1 760 . 1 1 77 77 LEU CB C 13 41.367 0.041 . . . . . . . . . . 6345 1 761 . 1 1 77 77 LEU CD2 C 13 23.475 0.064 . . . . . . . . . . 6345 1 762 . 1 1 77 77 LEU CG C 13 27.095 0.022 . . . . . . . . . . 6345 1 763 . 1 1 77 77 LEU HA H 1 3.719 0.007 . . . . . . . . . . 6345 1 764 . 1 1 77 77 LEU HB2 H 1 1.580 0.007 . . . . . . . . . . 6345 1 765 . 1 1 77 77 LEU H H 1 7.510 0.010 . . . . . . . . . . 6345 1 766 . 1 1 77 77 LEU N N 15 122.192 0.039 . . . . . . . . . . 6345 1 767 . 1 1 77 77 LEU HD11 H 1 0.909 0.000 . . . . . . . . . . 6345 1 768 . 1 1 77 77 LEU HD12 H 1 0.909 0.000 . . . . . . . . . . 6345 1 769 . 1 1 77 77 LEU HD13 H 1 0.909 0.000 . . . . . . . . . . 6345 1 770 . 1 1 77 77 LEU HD21 H 1 0.848 0.010 . . . . . . . . . . 6345 1 771 . 1 1 77 77 LEU HD22 H 1 0.848 0.010 . . . . . . . . . . 6345 1 772 . 1 1 77 77 LEU HD23 H 1 0.848 0.010 . . . . . . . . . . 6345 1 773 . 1 1 78 78 ASP C C 13 178.709 0.000 . . . . . . . . . . 6345 1 774 . 1 1 78 78 ASP CA C 13 57.751 0.104 . . . . . . . . . . 6345 1 775 . 1 1 78 78 ASP CB C 13 40.288 0.062 . . . . . . . . . . 6345 1 776 . 1 1 78 78 ASP HA H 1 4.218 0.018 . . . . . . . . . . 6345 1 777 . 1 1 78 78 ASP HB3 H 1 2.611 0.012 . . . . . . . . . . 6345 1 778 . 1 1 78 78 ASP H H 1 8.725 0.007 . . . . . . . . . . 6345 1 779 . 1 1 78 78 ASP N N 15 114.539 0.076 . . . . . . . . . . 6345 1 780 . 1 1 79 79 SER C C 13 176.385 0.000 . . . . . . . . . . 6345 1 781 . 1 1 79 79 SER CA C 13 61.696 0.101 . . . . . . . . . . 6345 1 782 . 1 1 79 79 SER CB C 13 62.929 0.113 . . . . . . . . . . 6345 1 783 . 1 1 79 79 SER HA H 1 4.236 0.007 . . . . . . . . . . 6345 1 784 . 1 1 79 79 SER H H 1 7.606 0.010 . . . . . . . . . . 6345 1 785 . 1 1 79 79 SER N N 15 113.587 0.066 . . . . . . . . . . 6345 1 786 . 1 1 79 79 SER HB2 H 1 3.956 0.014 . . . . . . . . . . 6345 1 787 . 1 1 80 80 VAL C C 13 178.018 0.000 . . . . . . . . . . 6345 1 788 . 1 1 80 80 VAL CA C 13 64.352 0.181 . . . . . . . . . . 6345 1 789 . 1 1 80 80 VAL CB C 13 31.624 0.178 . . . . . . . . . . 6345 1 790 . 1 1 80 80 VAL CG1 C 13 22.813 0.101 . . . . . . . . . . 6345 1 791 . 1 1 80 80 VAL CG2 C 13 21.996 0.120 . . . . . . . . . . 6345 1 792 . 1 1 80 80 VAL HA H 1 3.974 0.001 . . . . . . . . . . 6345 1 793 . 1 1 80 80 VAL HB H 1 2.062 0.017 . . . . . . . . . . 6345 1 794 . 1 1 80 80 VAL H H 1 7.573 0.007 . . . . . . . . . . 6345 1 795 . 1 1 80 80 VAL N N 15 124.028 0.094 . . . . . . . . . . 6345 1 796 . 1 1 80 80 VAL HG11 H 1 0.784 0.010 . . . . . . . . . . 6345 1 797 . 1 1 80 80 VAL HG12 H 1 0.784 0.010 . . . . . . . . . . 6345 1 798 . 1 1 80 80 VAL HG13 H 1 0.784 0.010 . . . . . . . . . . 6345 1 799 . 1 1 80 80 VAL HG21 H 1 0.945 0.009 . . . . . . . . . . 6345 1 800 . 1 1 80 80 VAL HG22 H 1 0.945 0.009 . . . . . . . . . . 6345 1 801 . 1 1 80 80 VAL HG23 H 1 0.945 0.009 . . . . . . . . . . 6345 1 802 . 1 1 81 81 LEU C C 13 177.852 0.000 . . . . . . . . . . 6345 1 803 . 1 1 81 81 LEU CA C 13 56.763 0.051 . . . . . . . . . . 6345 1 804 . 1 1 81 81 LEU CB C 13 41.232 0.045 . . . . . . . . . . 6345 1 805 . 1 1 81 81 LEU CD2 C 13 22.437 0.081 . . . . . . . . . . 6345 1 806 . 1 1 81 81 LEU CG C 13 25.936 0.000 . . . . . . . . . . 6345 1 807 . 1 1 81 81 LEU HA H 1 4.310 0.000 . . . . . . . . . . 6345 1 808 . 1 1 81 81 LEU HB2 H 1 1.685 0.000 . . . . . . . . . . 6345 1 809 . 1 1 81 81 LEU H H 1 8.015 0.010 . . . . . . . . . . 6345 1 810 . 1 1 81 81 LEU N N 15 115.660 0.088 . . . . . . . . . . 6345 1 811 . 1 1 81 81 LEU HD11 H 1 0.718 0.000 . . . . . . . . . . 6345 1 812 . 1 1 81 81 LEU HD12 H 1 0.718 0.000 . . . . . . . . . . 6345 1 813 . 1 1 81 81 LEU HD13 H 1 0.718 0.000 . . . . . . . . . . 6345 1 814 . 1 1 81 81 LEU HD21 H 1 0.680 0.005 . . . . . . . . . . 6345 1 815 . 1 1 81 81 LEU HD22 H 1 0.680 0.005 . . . . . . . . . . 6345 1 816 . 1 1 81 81 LEU HD23 H 1 0.680 0.005 . . . . . . . . . . 6345 1 817 . 1 1 82 82 LYS C C 13 177.377 0.000 . . . . . . . . . . 6345 1 818 . 1 1 82 82 LYS CA C 13 55.858 0.109 . . . . . . . . . . 6345 1 819 . 1 1 82 82 LYS CB C 13 32.974 0.084 . . . . . . . . . . 6345 1 820 . 1 1 82 82 LYS CD C 13 29.217 0.000 . . . . . . . . . . 6345 1 821 . 1 1 82 82 LYS CE C 13 42.364 0.000 . . . . . . . . . . 6345 1 822 . 1 1 82 82 LYS CG C 13 25.386 0.000 . . . . . . . . . . 6345 1 823 . 1 1 82 82 LYS HA H 1 4.595 0.000 . . . . . . . . . . 6345 1 824 . 1 1 82 82 LYS HD2 H 1 1.534 0.000 . . . . . . . . . . 6345 1 825 . 1 1 82 82 LYS H H 1 7.455 0.009 . . . . . . . . . . 6345 1 826 . 1 1 82 82 LYS N N 15 116.862 0.071 . . . . . . . . . . 6345 1 827 . 1 1 83 83 TYR C C 13 177.466 0.000 . . . . . . . . . . 6345 1 828 . 1 1 83 83 TYR CA C 13 55.081 0.104 . . . . . . . . . . 6345 1 829 . 1 1 83 83 TYR CB C 13 37.508 0.124 . . . . . . . . . . 6345 1 830 . 1 1 83 83 TYR HA H 1 4.875 0.019 . . . . . . . . . . 6345 1 831 . 1 1 83 83 TYR HB2 H 1 3.824 0.014 . . . . . . . . . . 6345 1 832 . 1 1 83 83 TYR HB3 H 1 3.599 0.007 . . . . . . . . . . 6345 1 833 . 1 1 83 83 TYR H H 1 7.959 0.009 . . . . . . . . . . 6345 1 834 . 1 1 83 83 TYR N N 15 121.778 0.052 . . . . . . . . . . 6345 1 835 . 1 1 83 83 TYR HD1 H 1 7.729 0.000 . . . . . . . . . . 6345 1 836 . 1 1 83 83 TYR HE1 H 1 6.766 0.000 . . . . . . . . . . 6345 1 837 . 1 1 84 84 LYS C C 13 179.373 0.000 . . . . . . . . . . 6345 1 838 . 1 1 84 84 LYS CA C 13 56.607 0.048 . . . . . . . . . . 6345 1 839 . 1 1 84 84 LYS CB C 13 33.190 0.021 . . . . . . . . . . 6345 1 840 . 1 1 84 84 LYS CE C 13 42.159 0.020 . . . . . . . . . . 6345 1 841 . 1 1 84 84 LYS CG C 13 25.420 0.000 . . . . . . . . . . 6345 1 842 . 1 1 84 84 LYS HA H 1 4.337 0.011 . . . . . . . . . . 6345 1 843 . 1 1 84 84 LYS HB3 H 1 1.699 0.000 . . . . . . . . . . 6345 1 844 . 1 1 84 84 LYS HE2 H 1 3.029 0.001 . . . . . . . . . . 6345 1 845 . 1 1 84 84 LYS H H 1 8.893 0.010 . . . . . . . . . . 6345 1 846 . 1 1 84 84 LYS N N 15 119.767 0.056 . . . . . . . . . . 6345 1 847 . 1 1 85 85 HIS C C 13 174.279 0.000 . . . . . . . . . . 6345 1 848 . 1 1 85 85 HIS CA C 13 57.841 0.102 . . . . . . . . . . 6345 1 849 . 1 1 85 85 HIS CB C 13 28.213 0.044 . . . . . . . . . . 6345 1 850 . 1 1 85 85 HIS HA H 1 3.842 0.002 . . . . . . . . . . 6345 1 851 . 1 1 85 85 HIS HB2 H 1 2.567 0.012 . . . . . . . . . . 6345 1 852 . 1 1 85 85 HIS H H 1 8.555 0.012 . . . . . . . . . . 6345 1 853 . 1 1 85 85 HIS N N 15 119.427 0.133 . . . . . . . . . . 6345 1 854 . 1 1 86 86 THR C C 13 174.602 0.000 . . . . . . . . . . 6345 1 855 . 1 1 86 86 THR CA C 13 60.296 0.094 . . . . . . . . . . 6345 1 856 . 1 1 86 86 THR CB C 13 69.136 0.099 . . . . . . . . . . 6345 1 857 . 1 1 86 86 THR CG2 C 13 21.559 0.066 . . . . . . . . . . 6345 1 858 . 1 1 86 86 THR HA H 1 4.297 0.012 . . . . . . . . . . 6345 1 859 . 1 1 86 86 THR H H 1 6.785 0.008 . . . . . . . . . . 6345 1 860 . 1 1 86 86 THR N N 15 103.794 0.106 . . . . . . . . . . 6345 1 861 . 1 1 86 86 THR HG21 H 1 0.921 0.010 . . . . . . . . . . 6345 1 862 . 1 1 86 86 THR HG22 H 1 0.921 0.010 . . . . . . . . . . 6345 1 863 . 1 1 86 86 THR HG23 H 1 0.921 0.010 . . . . . . . . . . 6345 1 864 . 1 1 87 87 ASP CA C 13 54.253 0.045 . . . . . . . . . . 6345 1 865 . 1 1 87 87 ASP CB C 13 43.718 0.122 . . . . . . . . . . 6345 1 866 . 1 1 87 87 ASP HA H 1 4.544 0.010 . . . . . . . . . . 6345 1 867 . 1 1 87 87 ASP HB2 H 1 2.882 0.014 . . . . . . . . . . 6345 1 868 . 1 1 87 87 ASP HB3 H 1 3.088 0.013 . . . . . . . . . . 6345 1 869 . 1 1 87 87 ASP H H 1 8.114 0.009 . . . . . . . . . . 6345 1 870 . 1 1 87 87 ASP N N 15 126.226 0.076 . . . . . . . . . . 6345 1 871 . 1 1 88 88 PRO C C 13 175.722 0.000 . . . . . . . . . . 6345 1 872 . 1 1 88 88 PRO CA C 13 64.394 0.188 . . . . . . . . . . 6345 1 873 . 1 1 88 88 PRO CB C 13 32.148 0.061 . . . . . . . . . . 6345 1 874 . 1 1 88 88 PRO CD C 13 51.599 0.112 . . . . . . . . . . 6345 1 875 . 1 1 88 88 PRO CG C 13 27.302 0.000 . . . . . . . . . . 6345 1 876 . 1 1 88 88 PRO HA H 1 4.433 0.005 . . . . . . . . . . 6345 1 877 . 1 1 88 88 PRO HB2 H 1 1.963 0.000 . . . . . . . . . . 6345 1 878 . 1 1 88 88 PRO HD2 H 1 3.509 0.007 . . . . . . . . . . 6345 1 879 . 1 1 88 88 PRO HD3 H 1 3.811 0.009 . . . . . . . . . . 6345 1 880 . 1 1 88 88 PRO HG2 H 1 2.453 0.012 . . . . . . . . . . 6345 1 881 . 1 1 89 89 THR C C 13 174.876 0.000 . . . . . . . . . . 6345 1 882 . 1 1 89 89 THR CA C 13 67.485 0.087 . . . . . . . . . . 6345 1 883 . 1 1 89 89 THR CB C 13 69.769 0.138 . . . . . . . . . . 6345 1 884 . 1 1 89 89 THR CG2 C 13 20.538 0.063 . . . . . . . . . . 6345 1 885 . 1 1 89 89 THR HA H 1 3.376 0.012 . . . . . . . . . . 6345 1 886 . 1 1 89 89 THR HB H 1 2.987 0.018 . . . . . . . . . . 6345 1 887 . 1 1 89 89 THR H H 1 9.174 0.010 . . . . . . . . . . 6345 1 888 . 1 1 89 89 THR N N 15 115.815 0.074 . . . . . . . . . . 6345 1 889 . 1 1 89 89 THR HG21 H 1 0.153 0.012 . . . . . . . . . . 6345 1 890 . 1 1 89 89 THR HG22 H 1 0.153 0.012 . . . . . . . . . . 6345 1 891 . 1 1 89 89 THR HG23 H 1 0.153 0.012 . . . . . . . . . . 6345 1 892 . 1 1 90 90 PHE C C 13 176.594 0.000 . . . . . . . . . . 6345 1 893 . 1 1 90 90 PHE CA C 13 60.212 0.087 . . . . . . . . . . 6345 1 894 . 1 1 90 90 PHE CB C 13 38.238 0.132 . . . . . . . . . . 6345 1 895 . 1 1 90 90 PHE HA H 1 4.726 0.014 . . . . . . . . . . 6345 1 896 . 1 1 90 90 PHE HB2 H 1 3.264 0.006 . . . . . . . . . . 6345 1 897 . 1 1 90 90 PHE HB3 H 1 3.558 0.009 . . . . . . . . . . 6345 1 898 . 1 1 90 90 PHE H H 1 7.187 0.009 . . . . . . . . . . 6345 1 899 . 1 1 90 90 PHE N N 15 117.245 0.069 . . . . . . . . . . 6345 1 900 . 1 1 90 90 PHE HD2 H 1 8.040 0.003 . . . . . . . . . . 6345 1 901 . 1 1 90 90 PHE HE1 H 1 7.749 0.000 . . . . . . . . . . 6345 1 902 . 1 1 91 91 GLY C C 13 173.871 0.000 . . . . . . . . . . 6345 1 903 . 1 1 91 91 GLY CA C 13 45.617 0.085 . . . . . . . . . . 6345 1 904 . 1 1 91 91 GLY HA2 H 1 4.492 0.014 . . . . . . . . . . 6345 1 905 . 1 1 91 91 GLY HA3 H 1 3.966 0.015 . . . . . . . . . . 6345 1 906 . 1 1 91 91 GLY H H 1 7.637 0.009 . . . . . . . . . . 6345 1 907 . 1 1 91 91 GLY N N 15 114.166 0.068 . . . . . . . . . . 6345 1 908 . 1 1 92 92 MET C C 13 175.555 0.000 . . . . . . . . . . 6345 1 909 . 1 1 92 92 MET CA C 13 56.591 0.094 . . . . . . . . . . 6345 1 910 . 1 1 92 92 MET CB C 13 34.215 0.016 . . . . . . . . . . 6345 1 911 . 1 1 92 92 MET CE C 13 16.565 0.121 . . . . . . . . . . 6345 1 912 . 1 1 92 92 MET CG C 13 32.336 0.094 . . . . . . . . . . 6345 1 913 . 1 1 92 92 MET HA H 1 4.172 0.013 . . . . . . . . . . 6345 1 914 . 1 1 92 92 MET HG2 H 1 2.520 0.012 . . . . . . . . . . 6345 1 915 . 1 1 92 92 MET HG3 H 1 2.891 0.008 . . . . . . . . . . 6345 1 916 . 1 1 92 92 MET H H 1 8.009 0.010 . . . . . . . . . . 6345 1 917 . 1 1 92 92 MET N N 15 123.445 0.076 . . . . . . . . . . 6345 1 918 . 1 1 92 92 MET HE1 H 1 1.882 0.001 . . . . . . . . . . 6345 1 919 . 1 1 92 92 MET HE2 H 1 1.882 0.001 . . . . . . . . . . 6345 1 920 . 1 1 92 92 MET HE3 H 1 1.882 0.001 . . . . . . . . . . 6345 1 921 . 1 1 93 93 ASP C C 13 178.210 0.000 . . . . . . . . . . 6345 1 922 . 1 1 93 93 ASP CA C 13 56.165 0.067 . . . . . . . . . . 6345 1 923 . 1 1 93 93 ASP CB C 13 43.278 0.126 . . . . . . . . . . 6345 1 924 . 1 1 93 93 ASP HA H 1 4.504 0.013 . . . . . . . . . . 6345 1 925 . 1 1 93 93 ASP HB2 H 1 2.657 0.011 . . . . . . . . . . 6345 1 926 . 1 1 93 93 ASP HB3 H 1 2.879 0.011 . . . . . . . . . . 6345 1 927 . 1 1 93 93 ASP H H 1 8.583 0.008 . . . . . . . . . . 6345 1 928 . 1 1 93 93 ASP N N 15 125.149 0.066 . . . . . . . . . . 6345 1 929 . 1 1 94 94 LEU C C 13 179.242 0.000 . . . . . . . . . . 6345 1 930 . 1 1 94 94 LEU CA C 13 58.176 0.103 . . . . . . . . . . 6345 1 931 . 1 1 94 94 LEU CB C 13 42.565 0.088 . . . . . . . . . . 6345 1 932 . 1 1 94 94 LEU CD1 C 13 24.736 0.113 . . . . . . . . . . 6345 1 933 . 1 1 94 94 LEU CD2 C 13 21.313 0.090 . . . . . . . . . . 6345 1 934 . 1 1 94 94 LEU CG C 13 26.779 0.002 . . . . . . . . . . 6345 1 935 . 1 1 94 94 LEU HA H 1 3.769 0.011 . . . . . . . . . . 6345 1 936 . 1 1 94 94 LEU HB2 H 1 1.588 0.013 . . . . . . . . . . 6345 1 937 . 1 1 94 94 LEU HG H 1 0.900 0.011 . . . . . . . . . . 6345 1 938 . 1 1 94 94 LEU H H 1 8.788 0.011 . . . . . . . . . . 6345 1 939 . 1 1 94 94 LEU N N 15 126.421 0.069 . . . . . . . . . . 6345 1 940 . 1 1 94 94 LEU HD11 H 1 0.153 0.006 . . . . . . . . . . 6345 1 941 . 1 1 94 94 LEU HD12 H 1 0.153 0.006 . . . . . . . . . . 6345 1 942 . 1 1 94 94 LEU HD13 H 1 0.153 0.006 . . . . . . . . . . 6345 1 943 . 1 1 94 94 LEU HD21 H 1 -0.445 0.010 . . . . . . . . . . 6345 1 944 . 1 1 94 94 LEU HD22 H 1 -0.445 0.010 . . . . . . . . . . 6345 1 945 . 1 1 94 94 LEU HD23 H 1 -0.445 0.010 . . . . . . . . . . 6345 1 946 . 1 1 95 95 GLN C C 13 179.918 0.000 . . . . . . . . . . 6345 1 947 . 1 1 95 95 GLN CA C 13 59.776 0.070 . . . . . . . . . . 6345 1 948 . 1 1 95 95 GLN CB C 13 27.994 0.144 . . . . . . . . . . 6345 1 949 . 1 1 95 95 GLN CG C 13 33.684 0.112 . . . . . . . . . . 6345 1 950 . 1 1 95 95 GLN HA H 1 4.370 0.010 . . . . . . . . . . 6345 1 951 . 1 1 95 95 GLN HB2 H 1 2.374 0.011 . . . . . . . . . . 6345 1 952 . 1 1 95 95 GLN HB3 H 1 2.169 0.006 . . . . . . . . . . 6345 1 953 . 1 1 95 95 GLN HE21 H 1 7.652 0.000 . . . . . . . . . . 6345 1 954 . 1 1 95 95 GLN HE22 H 1 7.070 0.000 . . . . . . . . . . 6345 1 955 . 1 1 95 95 GLN HG2 H 1 2.631 0.017 . . . . . . . . . . 6345 1 956 . 1 1 95 95 GLN H H 1 8.920 0.009 . . . . . . . . . . 6345 1 957 . 1 1 95 95 GLN N N 15 120.822 0.059 . . . . . . . . . . 6345 1 958 . 1 1 95 95 GLN NE2 N 15 112.615 0.032 . . . . . . . . . . 6345 1 959 . 1 1 96 96 LYS C C 13 179.586 0.000 . . . . . . . . . . 6345 1 960 . 1 1 96 96 LYS CA C 13 59.086 0.128 . . . . . . . . . . 6345 1 961 . 1 1 96 96 LYS CB C 13 32.117 0.074 . . . . . . . . . . 6345 1 962 . 1 1 96 96 LYS CD C 13 29.402 0.000 . . . . . . . . . . 6345 1 963 . 1 1 96 96 LYS CE C 13 42.157 0.021 . . . . . . . . . . 6345 1 964 . 1 1 96 96 LYS CG C 13 25.680 0.021 . . . . . . . . . . 6345 1 965 . 1 1 96 96 LYS HA H 1 4.235 0.012 . . . . . . . . . . 6345 1 966 . 1 1 96 96 LYS HB3 H 1 2.061 0.013 . . . . . . . . . . 6345 1 967 . 1 1 96 96 LYS HD2 H 1 1.653 0.000 . . . . . . . . . . 6345 1 968 . 1 1 96 96 LYS HE2 H 1 3.065 0.000 . . . . . . . . . . 6345 1 969 . 1 1 96 96 LYS HG2 H 1 1.636 0.000 . . . . . . . . . . 6345 1 970 . 1 1 96 96 LYS HG3 H 1 1.514 0.000 . . . . . . . . . . 6345 1 971 . 1 1 96 96 LYS H H 1 7.586 0.007 . . . . . . . . . . 6345 1 972 . 1 1 96 96 LYS N N 15 120.393 0.052 . . . . . . . . . . 6345 1 973 . 1 1 97 97 CYS CA C 13 64.761 0.142 . . . . . . . . . . 6345 1 974 . 1 1 97 97 CYS CB C 13 26.889 0.096 . . . . . . . . . . 6345 1 975 . 1 1 97 97 CYS HA H 1 3.993 0.009 . . . . . . . . . . 6345 1 976 . 1 1 97 97 CYS HB2 H 1 2.678 0.014 . . . . . . . . . . 6345 1 977 . 1 1 97 97 CYS HB3 H 1 3.278 0.008 . . . . . . . . . . 6345 1 978 . 1 1 97 97 CYS H H 1 7.775 0.010 . . . . . . . . . . 6345 1 979 . 1 1 97 97 CYS N N 15 116.740 0.080 . . . . . . . . . . 6345 1 980 . 1 1 98 98 VAL C C 13 180.125 0.000 . . . . . . . . . . 6345 1 981 . 1 1 98 98 VAL CA C 13 66.544 0.099 . . . . . . . . . . 6345 1 982 . 1 1 98 98 VAL CB C 13 32.105 0.102 . . . . . . . . . . 6345 1 983 . 1 1 98 98 VAL CG1 C 13 23.566 0.097 . . . . . . . . . . 6345 1 984 . 1 1 98 98 VAL CG2 C 13 21.671 0.068 . . . . . . . . . . 6345 1 985 . 1 1 98 98 VAL HA H 1 4.259 0.008 . . . . . . . . . . 6345 1 986 . 1 1 98 98 VAL HB H 1 2.609 0.012 . . . . . . . . . . 6345 1 987 . 1 1 98 98 VAL H H 1 8.708 0.010 . . . . . . . . . . 6345 1 988 . 1 1 98 98 VAL N N 15 122.700 0.097 . . . . . . . . . . 6345 1 989 . 1 1 98 98 VAL HG11 H 1 1.374 0.010 . . . . . . . . . . 6345 1 990 . 1 1 98 98 VAL HG12 H 1 1.374 0.010 . . . . . . . . . . 6345 1 991 . 1 1 98 98 VAL HG13 H 1 1.374 0.010 . . . . . . . . . . 6345 1 992 . 1 1 98 98 VAL HG21 H 1 1.174 0.010 . . . . . . . . . . 6345 1 993 . 1 1 98 98 VAL HG22 H 1 1.174 0.010 . . . . . . . . . . 6345 1 994 . 1 1 98 98 VAL HG23 H 1 1.174 0.010 . . . . . . . . . . 6345 1 995 . 1 1 99 99 GLN C C 13 177.610 0.000 . . . . . . . . . . 6345 1 996 . 1 1 99 99 GLN CA C 13 58.850 0.119 . . . . . . . . . . 6345 1 997 . 1 1 99 99 GLN CB C 13 28.341 0.075 . . . . . . . . . . 6345 1 998 . 1 1 99 99 GLN CG C 13 33.995 0.048 . . . . . . . . . . 6345 1 999 . 1 1 99 99 GLN HA H 1 4.187 0.018 . . . . . . . . . . 6345 1 1000 . 1 1 99 99 GLN HB2 H 1 2.377 0.000 . . . . . . . . . . 6345 1 1001 . 1 1 99 99 GLN HG2 H 1 2.378 0.000 . . . . . . . . . . 6345 1 1002 . 1 1 99 99 GLN HG3 H 1 2.578 0.000 . . . . . . . . . . 6345 1 1003 . 1 1 99 99 GLN H H 1 7.674 0.010 . . . . . . . . . . 6345 1 1004 . 1 1 99 99 GLN N N 15 120.661 0.058 . . . . . . . . . . 6345 1 1005 . 1 1 100 100 ARG C C 13 176.136 0.000 . . . . . . . . . . 6345 1 1006 . 1 1 100 100 ARG CA C 13 56.401 0.094 . . . . . . . . . . 6345 1 1007 . 1 1 100 100 ARG CB C 13 32.066 0.100 . . . . . . . . . . 6345 1 1008 . 1 1 100 100 ARG CD C 13 44.026 0.000 . . . . . . . . . . 6345 1 1009 . 1 1 100 100 ARG HA H 1 4.409 0.011 . . . . . . . . . . 6345 1 1010 . 1 1 100 100 ARG HB2 H 1 2.257 0.015 . . . . . . . . . . 6345 1 1011 . 1 1 100 100 ARG H H 1 7.642 0.009 . . . . . . . . . . 6345 1 1012 . 1 1 100 100 ARG N N 15 115.227 0.042 . . . . . . . . . . 6345 1 1013 . 1 1 101 101 GLY C C 13 174.390 0.000 . . . . . . . . . . 6345 1 1014 . 1 1 101 101 GLY CA C 13 46.048 0.100 . . . . . . . . . . 6345 1 1015 . 1 1 101 101 GLY HA2 H 1 4.130 0.012 . . . . . . . . . . 6345 1 1016 . 1 1 101 101 GLY HA3 H 1 4.179 0.010 . . . . . . . . . . 6345 1 1017 . 1 1 101 101 GLY H H 1 7.996 0.008 . . . . . . . . . . 6345 1 1018 . 1 1 101 101 GLY N N 15 107.787 0.161 . . . . . . . . . . 6345 1 1019 . 1 1 102 102 LEU C C 13 173.822 0.000 . . . . . . . . . . 6345 1 1020 . 1 1 102 102 LEU CA C 13 54.788 0.116 . . . . . . . . . . 6345 1 1021 . 1 1 102 102 LEU CB C 13 44.868 0.108 . . . . . . . . . . 6345 1 1022 . 1 1 102 102 LEU CD1 C 13 26.466 0.075 . . . . . . . . . . 6345 1 1023 . 1 1 102 102 LEU CD2 C 13 23.629 0.078 . . . . . . . . . . 6345 1 1024 . 1 1 102 102 LEU HA H 1 4.337 0.008 . . . . . . . . . . 6345 1 1025 . 1 1 102 102 LEU HB2 H 1 1.746 0.012 . . . . . . . . . . 6345 1 1026 . 1 1 102 102 LEU HB3 H 1 1.513 0.009 . . . . . . . . . . 6345 1 1027 . 1 1 102 102 LEU HG H 1 1.488 0.013 . . . . . . . . . . 6345 1 1028 . 1 1 102 102 LEU H H 1 8.079 0.009 . . . . . . . . . . 6345 1 1029 . 1 1 102 102 LEU N N 15 116.023 0.067 . . . . . . . . . . 6345 1 1030 . 1 1 102 102 LEU HD11 H 1 0.771 0.015 . . . . . . . . . . 6345 1 1031 . 1 1 102 102 LEU HD12 H 1 0.771 0.015 . . . . . . . . . . 6345 1 1032 . 1 1 102 102 LEU HD13 H 1 0.771 0.015 . . . . . . . . . . 6345 1 1033 . 1 1 102 102 LEU HD21 H 1 0.737 0.005 . . . . . . . . . . 6345 1 1034 . 1 1 102 102 LEU HD22 H 1 0.737 0.005 . . . . . . . . . . 6345 1 1035 . 1 1 102 102 LEU HD23 H 1 0.737 0.005 . . . . . . . . . . 6345 1 1036 . 1 1 103 103 TRP C C 13 174.549 0.000 . . . . . . . . . . 6345 1 1037 . 1 1 103 103 TRP CA C 13 56.380 0.112 . . . . . . . . . . 6345 1 1038 . 1 1 103 103 TRP CB C 13 33.608 0.088 . . . . . . . . . . 6345 1 1039 . 1 1 103 103 TRP HA H 1 5.121 0.013 . . . . . . . . . . 6345 1 1040 . 1 1 103 103 TRP HB2 H 1 3.006 0.017 . . . . . . . . . . 6345 1 1041 . 1 1 103 103 TRP HB3 H 1 2.895 0.010 . . . . . . . . . . 6345 1 1042 . 1 1 103 103 TRP HE3 H 1 8.302 0.005 . . . . . . . . . . 6345 1 1043 . 1 1 103 103 TRP H H 1 7.015 0.008 . . . . . . . . . . 6345 1 1044 . 1 1 103 103 TRP HZ2 H 1 8.165 0.011 . . . . . . . . . . 6345 1 1045 . 1 1 103 103 TRP HZ3 H 1 7.819 0.000 . . . . . . . . . . 6345 1 1046 . 1 1 103 103 TRP N N 15 115.803 0.055 . . . . . . . . . . 6345 1 1047 . 1 1 104 104 ASN CA C 13 50.304 0.088 . . . . . . . . . . 6345 1 1048 . 1 1 104 104 ASN CB C 13 38.979 0.069 . . . . . . . . . . 6345 1 1049 . 1 1 104 104 ASN HA H 1 4.974 0.013 . . . . . . . . . . 6345 1 1050 . 1 1 104 104 ASN HB2 H 1 2.950 0.011 . . . . . . . . . . 6345 1 1051 . 1 1 104 104 ASN HB3 H 1 2.455 0.011 . . . . . . . . . . 6345 1 1052 . 1 1 104 104 ASN H H 1 8.236 0.010 . . . . . . . . . . 6345 1 1053 . 1 1 104 104 ASN N N 15 127.729 0.051 . . . . . . . . . . 6345 1 1054 . 1 1 105 105 PRO C C 13 175.735 0.000 . . . . . . . . . . 6345 1 1055 . 1 1 105 105 PRO CA C 13 64.182 0.024 . . . . . . . . . . 6345 1 1056 . 1 1 105 105 PRO CB C 13 32.469 0.014 . . . . . . . . . . 6345 1 1057 . 1 1 105 105 PRO CD C 13 50.726 0.142 . . . . . . . . . . 6345 1 1058 . 1 1 105 105 PRO CG C 13 26.913 0.175 . . . . . . . . . . 6345 1 1059 . 1 1 105 105 PRO HA H 1 4.621 0.000 . . . . . . . . . . 6345 1 1060 . 1 1 105 105 PRO HB2 H 1 2.290 0.016 . . . . . . . . . . 6345 1 1061 . 1 1 105 105 PRO HB3 H 1 2.001 0.002 . . . . . . . . . . 6345 1 1062 . 1 1 105 105 PRO HD2 H 1 4.167 0.010 . . . . . . . . . . 6345 1 1063 . 1 1 105 105 PRO HD3 H 1 4.371 0.005 . . . . . . . . . . 6345 1 1064 . 1 1 106 106 LYS C C 13 176.195 0.000 . . . . . . . . . . 6345 1 1065 . 1 1 106 106 LYS CA C 13 55.405 0.094 . . . . . . . . . . 6345 1 1066 . 1 1 106 106 LYS CB C 13 32.809 0.072 . . . . . . . . . . 6345 1 1067 . 1 1 106 106 LYS CD C 13 29.142 0.161 . . . . . . . . . . 6345 1 1068 . 1 1 106 106 LYS CE C 13 42.209 0.070 . . . . . . . . . . 6345 1 1069 . 1 1 106 106 LYS CG C 13 25.786 0.146 . . . . . . . . . . 6345 1 1070 . 1 1 106 106 LYS HA H 1 4.612 0.018 . . . . . . . . . . 6345 1 1071 . 1 1 106 106 LYS HB2 H 1 1.771 0.017 . . . . . . . . . . 6345 1 1072 . 1 1 106 106 LYS HD2 H 1 2.117 0.012 . . . . . . . . . . 6345 1 1073 . 1 1 106 106 LYS HD3 H 1 1.947 0.011 . . . . . . . . . . 6345 1 1074 . 1 1 106 106 LYS HE2 H 1 3.064 0.009 . . . . . . . . . . 6345 1 1075 . 1 1 106 106 LYS H H 1 7.986 0.011 . . . . . . . . . . 6345 1 1076 . 1 1 106 106 LYS N N 15 117.009 0.097 . . . . . . . . . . 6345 1 1077 . 1 1 106 106 LYS HG2 H 1 1.511 0.000 . . . . . . . . . . 6345 1 1078 . 1 1 107 107 GLU C C 13 173.585 0.000 . . . . . . . . . . 6345 1 1079 . 1 1 107 107 GLU CA C 13 53.269 0.058 . . . . . . . . . . 6345 1 1080 . 1 1 107 107 GLU CB C 13 33.218 0.000 . . . . . . . . . . 6345 1 1081 . 1 1 107 107 GLU CG C 13 35.500 0.122 . . . . . . . . . . 6345 1 1082 . 1 1 107 107 GLU HA H 1 5.034 0.007 . . . . . . . . . . 6345 1 1083 . 1 1 107 107 GLU HB3 H 1 1.637 0.014 . . . . . . . . . . 6345 1 1084 . 1 1 107 107 GLU HG2 H 1 2.345 0.004 . . . . . . . . . . 6345 1 1085 . 1 1 107 107 GLU H H 1 7.453 0.007 . . . . . . . . . . 6345 1 1086 . 1 1 107 107 GLU N N 15 121.773 0.070 . . . . . . . . . . 6345 1 1087 . 1 1 108 108 ALA C C 13 174.435 0.000 . . . . . . . . . . 6345 1 1088 . 1 1 108 108 ALA CA C 13 51.479 0.098 . . . . . . . . . . 6345 1 1089 . 1 1 108 108 ALA CB C 13 23.120 0.177 . . . . . . . . . . 6345 1 1090 . 1 1 108 108 ALA HA H 1 4.800 0.010 . . . . . . . . . . 6345 1 1091 . 1 1 108 108 ALA H H 1 9.082 0.009 . . . . . . . . . . 6345 1 1092 . 1 1 108 108 ALA N N 15 128.211 0.105 . . . . . . . . . . 6345 1 1093 . 1 1 108 108 ALA HB1 H 1 1.419 0.011 . . . . . . . . . . 6345 1 1094 . 1 1 108 108 ALA HB2 H 1 1.419 0.011 . . . . . . . . . . 6345 1 1095 . 1 1 108 108 ALA HB3 H 1 1.419 0.011 . . . . . . . . . . 6345 1 1096 . 1 1 109 109 LEU C C 13 173.695 0.000 . . . . . . . . . . 6345 1 1097 . 1 1 109 109 LEU CA C 13 54.067 0.158 . . . . . . . . . . 6345 1 1098 . 1 1 109 109 LEU CB C 13 45.341 0.075 . . . . . . . . . . 6345 1 1099 . 1 1 109 109 LEU CD1 C 13 26.379 0.091 . . . . . . . . . . 6345 1 1100 . 1 1 109 109 LEU CD2 C 13 24.009 0.086 . . . . . . . . . . 6345 1 1101 . 1 1 109 109 LEU CG C 13 27.577 0.098 . . . . . . . . . . 6345 1 1102 . 1 1 109 109 LEU HA H 1 5.038 0.011 . . . . . . . . . . 6345 1 1103 . 1 1 109 109 LEU HB2 H 1 1.843 0.019 . . . . . . . . . . 6345 1 1104 . 1 1 109 109 LEU HB3 H 1 1.599 0.007 . . . . . . . . . . 6345 1 1105 . 1 1 109 109 LEU HG H 1 1.147 0.014 . . . . . . . . . . 6345 1 1106 . 1 1 109 109 LEU H H 1 6.739 0.012 . . . . . . . . . . 6345 1 1107 . 1 1 109 109 LEU N N 15 116.703 0.065 . . . . . . . . . . 6345 1 1108 . 1 1 109 109 LEU HD11 H 1 0.323 0.010 . . . . . . . . . . 6345 1 1109 . 1 1 109 109 LEU HD12 H 1 0.323 0.010 . . . . . . . . . . 6345 1 1110 . 1 1 109 109 LEU HD13 H 1 0.323 0.010 . . . . . . . . . . 6345 1 1111 . 1 1 109 109 LEU HD21 H 1 0.377 0.005 . . . . . . . . . . 6345 1 1112 . 1 1 109 109 LEU HD22 H 1 0.377 0.005 . . . . . . . . . . 6345 1 1113 . 1 1 109 109 LEU HD23 H 1 0.377 0.005 . . . . . . . . . . 6345 1 1114 . 1 1 110 110 TRP C C 13 174.465 0.000 . . . . . . . . . . 6345 1 1115 . 1 1 110 110 TRP CA C 13 52.932 0.132 . . . . . . . . . . 6345 1 1116 . 1 1 110 110 TRP CB C 13 32.759 0.180 . . . . . . . . . . 6345 1 1117 . 1 1 110 110 TRP HA H 1 6.051 0.012 . . . . . . . . . . 6345 1 1118 . 1 1 110 110 TRP HB2 H 1 3.038 0.011 . . . . . . . . . . 6345 1 1119 . 1 1 110 110 TRP HB3 H 1 2.850 0.011 . . . . . . . . . . 6345 1 1120 . 1 1 110 110 TRP HE3 H 1 8.793 0.006 . . . . . . . . . . 6345 1 1121 . 1 1 110 110 TRP H H 1 8.795 0.010 . . . . . . . . . . 6345 1 1122 . 1 1 110 110 TRP HZ3 H 1 8.898 0.000 . . . . . . . . . . 6345 1 1123 . 1 1 110 110 TRP N N 15 125.612 0.110 . . . . . . . . . . 6345 1 1124 . 1 1 111 111 VAL C C 13 173.910 0.000 . . . . . . . . . . 6345 1 1125 . 1 1 111 111 VAL CA C 13 59.955 0.118 . . . . . . . . . . 6345 1 1126 . 1 1 111 111 VAL CB C 13 34.398 0.163 . . . . . . . . . . 6345 1 1127 . 1 1 111 111 VAL CG1 C 13 20.354 0.093 . . . . . . . . . . 6345 1 1128 . 1 1 111 111 VAL CG2 C 13 18.615 0.104 . . . . . . . . . . 6345 1 1129 . 1 1 111 111 VAL HA H 1 4.718 0.016 . . . . . . . . . . 6345 1 1130 . 1 1 111 111 VAL HB H 1 1.400 0.010 . . . . . . . . . . 6345 1 1131 . 1 1 111 111 VAL H H 1 8.878 0.012 . . . . . . . . . . 6345 1 1132 . 1 1 111 111 VAL N N 15 115.897 0.070 . . . . . . . . . . 6345 1 1133 . 1 1 111 111 VAL HG11 H 1 0.276 0.014 . . . . . . . . . . 6345 1 1134 . 1 1 111 111 VAL HG12 H 1 0.276 0.014 . . . . . . . . . . 6345 1 1135 . 1 1 111 111 VAL HG13 H 1 0.276 0.014 . . . . . . . . . . 6345 1 1136 . 1 1 111 111 VAL HG21 H 1 -0.229 0.005 . . . . . . . . . . 6345 1 1137 . 1 1 111 111 VAL HG22 H 1 -0.229 0.005 . . . . . . . . . . 6345 1 1138 . 1 1 111 111 VAL HG23 H 1 -0.229 0.005 . . . . . . . . . . 6345 1 1139 . 1 1 112 112 ASP C C 13 176.392 0.000 . . . . . . . . . . 6345 1 1140 . 1 1 112 112 ASP CA C 13 51.619 0.137 . . . . . . . . . . 6345 1 1141 . 1 1 112 112 ASP CB C 13 41.551 0.155 . . . . . . . . . . 6345 1 1142 . 1 1 112 112 ASP HA H 1 5.044 0.013 . . . . . . . . . . 6345 1 1143 . 1 1 112 112 ASP HB2 H 1 3.181 0.014 . . . . . . . . . . 6345 1 1144 . 1 1 112 112 ASP HB3 H 1 2.364 0.013 . . . . . . . . . . 6345 1 1145 . 1 1 112 112 ASP H H 1 9.267 0.007 . . . . . . . . . . 6345 1 1146 . 1 1 112 112 ASP N N 15 126.768 0.086 . . . . . . . . . . 6345 1 1147 . 1 1 113 113 TRP CA C 13 59.604 0.344 . . . . . . . . . . 6345 1 1148 . 1 1 113 113 TRP CB C 13 30.261 0.000 . . . . . . . . . . 6345 1 1149 . 1 1 113 113 TRP HA H 1 3.980 0.009 . . . . . . . . . . 6345 1 1150 . 1 1 113 113 TRP HB2 H 1 3.053 0.036 . . . . . . . . . . 6345 1 1151 . 1 1 113 113 TRP HD1 H 1 7.232 0.000 . . . . . . . . . . 6345 1 1152 . 1 1 113 113 TRP HE1 H 1 10.193 0.000 . . . . . . . . . . 6345 1 1153 . 1 1 113 113 TRP HE3 H 1 6.893 0.000 . . . . . . . . . . 6345 1 1154 . 1 1 113 113 TRP H H 1 6.997 0.012 . . . . . . . . . . 6345 1 1155 . 1 1 113 113 TRP HZ2 H 1 8.182 0.688 . . . . . . . . . . 6345 1 1156 . 1 1 113 113 TRP HZ3 H 1 7.149 0.000 . . . . . . . . . . 6345 1 1157 . 1 1 113 113 TRP N N 15 123.408 0.086 . . . . . . . . . . 6345 1 1158 . 1 1 113 113 TRP NE1 N 15 129.478 0.052 . . . . . . . . . . 6345 1 1159 . 1 1 114 114 GLU C C 13 177.358 0.000 . . . . . . . . . . 6345 1 1160 . 1 1 114 114 GLU CA C 13 59.633 0.071 . . . . . . . . . . 6345 1 1161 . 1 1 114 114 GLU CB C 13 30.344 0.003 . . . . . . . . . . 6345 1 1162 . 1 1 114 114 GLU CG C 13 36.699 0.000 . . . . . . . . . . 6345 1 1163 . 1 1 114 114 GLU HA H 1 4.239 0.000 . . . . . . . . . . 6345 1 1164 . 1 1 115 115 ASN CA C 13 52.875 0.120 . . . . . . . . . . 6345 1 1165 . 1 1 115 115 ASN CB C 13 39.404 0.080 . . . . . . . . . . 6345 1 1166 . 1 1 115 115 ASN HA H 1 5.022 0.011 . . . . . . . . . . 6345 1 1167 . 1 1 115 115 ASN HB2 H 1 2.947 0.008 . . . . . . . . . . 6345 1 1168 . 1 1 115 115 ASN HB3 H 1 2.281 0.006 . . . . . . . . . . 6345 1 1169 . 1 1 115 115 ASN H H 1 7.098 0.012 . . . . . . . . . . 6345 1 1170 . 1 1 115 115 ASN N N 15 112.577 0.060 . . . . . . . . . . 6345 1 1171 . 1 1 116 116 LYS C C 13 174.899 0.000 . . . . . . . . . . 6345 1 1172 . 1 1 116 116 LYS CA C 13 58.311 0.052 . . . . . . . . . . 6345 1 1173 . 1 1 116 116 LYS CB C 13 28.270 0.105 . . . . . . . . . . 6345 1 1174 . 1 1 116 116 LYS CE C 13 42.817 0.061 . . . . . . . . . . 6345 1 1175 . 1 1 116 116 LYS CG C 13 25.715 0.029 . . . . . . . . . . 6345 1 1176 . 1 1 116 116 LYS HA H 1 3.865 0.018 . . . . . . . . . . 6345 1 1177 . 1 1 116 116 LYS HB2 H 1 1.415 0.000 . . . . . . . . . . 6345 1 1178 . 1 1 116 116 LYS HB3 H 1 2.043 0.014 . . . . . . . . . . 6345 1 1179 . 1 1 116 116 LYS HG2 H 1 1.385 0.022 . . . . . . . . . . 6345 1 1180 . 1 1 116 116 LYS H H 1 8.096 0.012 . . . . . . . . . . 6345 1 1181 . 1 1 116 116 LYS N N 15 115.937 0.077 . . . . . . . . . . 6345 1 1182 . 1 1 117 117 LEU C C 13 173.436 0.000 . . . . . . . . . . 6345 1 1183 . 1 1 117 117 LEU CA C 13 53.765 0.106 . . . . . . . . . . 6345 1 1184 . 1 1 117 117 LEU CB C 13 45.358 0.095 . . . . . . . . . . 6345 1 1185 . 1 1 117 117 LEU CD1 C 13 25.774 0.110 . . . . . . . . . . 6345 1 1186 . 1 1 117 117 LEU CD2 C 13 24.647 0.100 . . . . . . . . . . 6345 1 1187 . 1 1 117 117 LEU HA H 1 4.629 0.012 . . . . . . . . . . 6345 1 1188 . 1 1 117 117 LEU HB2 H 1 1.552 0.010 . . . . . . . . . . 6345 1 1189 . 1 1 117 117 LEU HB3 H 1 1.713 0.012 . . . . . . . . . . 6345 1 1190 . 1 1 117 117 LEU H H 1 7.273 0.012 . . . . . . . . . . 6345 1 1191 . 1 1 117 117 LEU N N 15 118.213 0.070 . . . . . . . . . . 6345 1 1192 . 1 1 117 117 LEU HD11 H 1 0.918 0.004 . . . . . . . . . . 6345 1 1193 . 1 1 117 117 LEU HD12 H 1 0.918 0.004 . . . . . . . . . . 6345 1 1194 . 1 1 117 117 LEU HD13 H 1 0.918 0.004 . . . . . . . . . . 6345 1 1195 . 1 1 117 117 LEU HD21 H 1 0.822 0.004 . . . . . . . . . . 6345 1 1196 . 1 1 117 117 LEU HD22 H 1 0.822 0.004 . . . . . . . . . . 6345 1 1197 . 1 1 117 117 LEU HD23 H 1 0.822 0.004 . . . . . . . . . . 6345 1 1198 . 1 1 118 118 VAL C C 13 172.702 0.000 . . . . . . . . . . 6345 1 1199 . 1 1 118 118 VAL CA C 13 58.467 0.101 . . . . . . . . . . 6345 1 1200 . 1 1 118 118 VAL CB C 13 35.553 0.183 . . . . . . . . . . 6345 1 1201 . 1 1 118 118 VAL CG1 C 13 23.426 0.118 . . . . . . . . . . 6345 1 1202 . 1 1 118 118 VAL CG2 C 13 22.895 0.075 . . . . . . . . . . 6345 1 1203 . 1 1 118 118 VAL HA H 1 4.261 0.009 . . . . . . . . . . 6345 1 1204 . 1 1 118 118 VAL HB H 1 1.073 0.013 . . . . . . . . . . 6345 1 1205 . 1 1 118 118 VAL H H 1 7.168 0.010 . . . . . . . . . . 6345 1 1206 . 1 1 118 118 VAL N N 15 123.234 0.091 . . . . . . . . . . 6345 1 1207 . 1 1 118 118 VAL HG11 H 1 0.574 0.009 . . . . . . . . . . 6345 1 1208 . 1 1 118 118 VAL HG12 H 1 0.574 0.009 . . . . . . . . . . 6345 1 1209 . 1 1 118 118 VAL HG13 H 1 0.574 0.009 . . . . . . . . . . 6345 1 1210 . 1 1 118 118 VAL HG21 H 1 0.581 0.006 . . . . . . . . . . 6345 1 1211 . 1 1 118 118 VAL HG22 H 1 0.581 0.006 . . . . . . . . . . 6345 1 1212 . 1 1 118 118 VAL HG23 H 1 0.581 0.006 . . . . . . . . . . 6345 1 1213 . 1 1 119 119 GLY C C 13 169.362 0.000 . . . . . . . . . . 6345 1 1214 . 1 1 119 119 GLY CA C 13 44.786 0.142 . . . . . . . . . . 6345 1 1215 . 1 1 119 119 GLY HA2 H 1 3.974 0.015 . . . . . . . . . . 6345 1 1216 . 1 1 119 119 GLY HA3 H 1 3.014 0.007 . . . . . . . . . . 6345 1 1217 . 1 1 119 119 GLY H H 1 6.831 0.009 . . . . . . . . . . 6345 1 1218 . 1 1 119 119 GLY N N 15 109.326 0.053 . . . . . . . . . . 6345 1 1219 . 1 1 120 120 ASN C C 13 175.213 0.000 . . . . . . . . . . 6345 1 1220 . 1 1 120 120 ASN CA C 13 53.960 0.067 . . . . . . . . . . 6345 1 1221 . 1 1 120 120 ASN CB C 13 44.690 0.113 . . . . . . . . . . 6345 1 1222 . 1 1 120 120 ASN HA H 1 5.370 0.017 . . . . . . . . . . 6345 1 1223 . 1 1 120 120 ASN HB2 H 1 2.159 0.014 . . . . . . . . . . 6345 1 1224 . 1 1 120 120 ASN HB3 H 1 3.698 0.007 . . . . . . . . . . 6345 1 1225 . 1 1 120 120 ASN H H 1 8.086 0.011 . . . . . . . . . . 6345 1 1226 . 1 1 120 120 ASN N N 15 110.745 0.100 . . . . . . . . . . 6345 1 1227 . 1 1 121 121 GLU CA C 13 54.308 0.099 . . . . . . . . . . 6345 1 1228 . 1 1 121 121 GLU CB C 13 30.257 0.000 . . . . . . . . . . 6345 1 1229 . 1 1 121 121 GLU HA H 1 4.800 0.020 . . . . . . . . . . 6345 1 1230 . 1 1 121 121 GLU H H 1 8.128 0.009 . . . . . . . . . . 6345 1 1231 . 1 1 121 121 GLU N N 15 111.663 0.042 . . . . . . . . . . 6345 1 1232 . 1 1 122 122 PRO C C 13 178.067 0.000 . . . . . . . . . . 6345 1 1233 . 1 1 122 122 PRO CA C 13 65.672 0.188 . . . . . . . . . . 6345 1 1234 . 1 1 122 122 PRO CB C 13 31.703 0.140 . . . . . . . . . . 6345 1 1235 . 1 1 122 122 PRO CD C 13 51.423 0.095 . . . . . . . . . . 6345 1 1236 . 1 1 122 122 PRO CG C 13 27.646 0.039 . . . . . . . . . . 6345 1 1237 . 1 1 122 122 PRO HA H 1 4.203 0.006 . . . . . . . . . . 6345 1 1238 . 1 1 122 122 PRO HB2 H 1 2.184 0.010 . . . . . . . . . . 6345 1 1239 . 1 1 122 122 PRO HB3 H 1 1.885 0.008 . . . . . . . . . . 6345 1 1240 . 1 1 122 122 PRO HD2 H 1 4.274 0.008 . . . . . . . . . . 6345 1 1241 . 1 1 122 122 PRO HD3 H 1 3.854 0.012 . . . . . . . . . . 6345 1 1242 . 1 1 122 122 PRO HG2 H 1 2.335 0.015 . . . . . . . . . . 6345 1 1243 . 1 1 123 123 ALA C C 13 180.169 0.000 . . . . . . . . . . 6345 1 1244 . 1 1 123 123 ALA CA C 13 55.253 0.170 . . . . . . . . . . 6345 1 1245 . 1 1 123 123 ALA CB C 13 18.845 0.110 . . . . . . . . . . 6345 1 1246 . 1 1 123 123 ALA HA H 1 4.143 0.017 . . . . . . . . . . 6345 1 1247 . 1 1 123 123 ALA H H 1 8.631 0.010 . . . . . . . . . . 6345 1 1248 . 1 1 123 123 ALA N N 15 117.289 0.060 . . . . . . . . . . 6345 1 1249 . 1 1 123 123 ALA HB1 H 1 1.466 0.013 . . . . . . . . . . 6345 1 1250 . 1 1 123 123 ALA HB2 H 1 1.466 0.013 . . . . . . . . . . 6345 1 1251 . 1 1 123 123 ALA HB3 H 1 1.466 0.013 . . . . . . . . . . 6345 1 1252 . 1 1 124 124 ASP C C 13 178.022 0.000 . . . . . . . . . . 6345 1 1253 . 1 1 124 124 ASP CA C 13 56.716 0.100 . . . . . . . . . . 6345 1 1254 . 1 1 124 124 ASP CB C 13 41.664 0.097 . . . . . . . . . . 6345 1 1255 . 1 1 124 124 ASP HA H 1 4.804 0.014 . . . . . . . . . . 6345 1 1256 . 1 1 124 124 ASP HB2 H 1 3.261 0.004 . . . . . . . . . . 6345 1 1257 . 1 1 124 124 ASP H H 1 7.200 0.011 . . . . . . . . . . 6345 1 1258 . 1 1 124 124 ASP N N 15 116.008 0.069 . . . . . . . . . . 6345 1 1259 . 1 1 125 125 ILE C C 13 179.032 0.000 . . . . . . . . . . 6345 1 1260 . 1 1 125 125 ILE CA C 13 65.163 0.083 . . . . . . . . . . 6345 1 1261 . 1 1 125 125 ILE CB C 13 36.723 0.082 . . . . . . . . . . 6345 1 1262 . 1 1 125 125 ILE CD1 C 13 14.635 0.125 . . . . . . . . . . 6345 1 1263 . 1 1 125 125 ILE CG1 C 13 27.853 0.109 . . . . . . . . . . 6345 1 1264 . 1 1 125 125 ILE CG2 C 13 17.420 0.072 . . . . . . . . . . 6345 1 1265 . 1 1 125 125 ILE HA H 1 2.835 0.016 . . . . . . . . . . 6345 1 1266 . 1 1 125 125 ILE HB H 1 1.912 0.010 . . . . . . . . . . 6345 1 1267 . 1 1 125 125 ILE HG12 H 1 0.458 0.009 . . . . . . . . . . 6345 1 1268 . 1 1 125 125 ILE HG13 H 1 -0.946 0.015 . . . . . . . . . . 6345 1 1269 . 1 1 125 125 ILE H H 1 7.362 0.008 . . . . . . . . . . 6345 1 1270 . 1 1 125 125 ILE N N 15 122.997 0.064 . . . . . . . . . . 6345 1 1271 . 1 1 125 125 ILE HD11 H 1 0.152 0.007 . . . . . . . . . . 6345 1 1272 . 1 1 125 125 ILE HD12 H 1 0.152 0.007 . . . . . . . . . . 6345 1 1273 . 1 1 125 125 ILE HD13 H 1 0.152 0.007 . . . . . . . . . . 6345 1 1274 . 1 1 125 125 ILE HG21 H 1 0.417 0.009 . . . . . . . . . . 6345 1 1275 . 1 1 125 125 ILE HG22 H 1 0.417 0.009 . . . . . . . . . . 6345 1 1276 . 1 1 125 125 ILE HG23 H 1 0.417 0.009 . . . . . . . . . . 6345 1 1277 . 1 1 126 126 ASP C C 13 176.608 0.000 . . . . . . . . . . 6345 1 1278 . 1 1 126 126 ASP CA C 13 57.498 0.107 . . . . . . . . . . 6345 1 1279 . 1 1 126 126 ASP CB C 13 41.655 0.109 . . . . . . . . . . 6345 1 1280 . 1 1 126 126 ASP HA H 1 4.350 0.015 . . . . . . . . . . 6345 1 1281 . 1 1 126 126 ASP HB2 H 1 2.781 0.009 . . . . . . . . . . 6345 1 1282 . 1 1 126 126 ASP HB3 H 1 2.528 0.007 . . . . . . . . . . 6345 1 1283 . 1 1 126 126 ASP H H 1 7.449 0.008 . . . . . . . . . . 6345 1 1284 . 1 1 126 126 ASP N N 15 121.040 0.050 . . . . . . . . . . 6345 1 1285 . 1 1 127 127 LYS C C 13 177.919 0.000 . . . . . . . . . . 6345 1 1286 . 1 1 127 127 LYS CA C 13 59.776 0.126 . . . . . . . . . . 6345 1 1287 . 1 1 127 127 LYS CB C 13 33.754 0.102 . . . . . . . . . . 6345 1 1288 . 1 1 127 127 LYS CD C 13 29.520 0.081 . . . . . . . . . . 6345 1 1289 . 1 1 127 127 LYS CE C 13 41.983 0.039 . . . . . . . . . . 6345 1 1290 . 1 1 127 127 LYS CG C 13 24.693 0.106 . . . . . . . . . . 6345 1 1291 . 1 1 127 127 LYS HA H 1 3.688 0.013 . . . . . . . . . . 6345 1 1292 . 1 1 127 127 LYS HB2 H 1 1.556 0.000 . . . . . . . . . . 6345 1 1293 . 1 1 127 127 LYS HB3 H 1 1.243 0.003 . . . . . . . . . . 6345 1 1294 . 1 1 127 127 LYS HD2 H 1 1.437 0.015 . . . . . . . . . . 6345 1 1295 . 1 1 127 127 LYS HE2 H 1 2.788 0.011 . . . . . . . . . . 6345 1 1296 . 1 1 127 127 LYS HG2 H 1 1.088 0.008 . . . . . . . . . . 6345 1 1297 . 1 1 127 127 LYS HG3 H 1 0.575 0.016 . . . . . . . . . . 6345 1 1298 . 1 1 127 127 LYS H H 1 7.507 0.007 . . . . . . . . . . 6345 1 1299 . 1 1 127 127 LYS N N 15 114.918 0.081 . . . . . . . . . . 6345 1 1300 . 1 1 128 128 TYR C C 13 175.969 0.000 . . . . . . . . . . 6345 1 1301 . 1 1 128 128 TYR CA C 13 59.078 0.086 . . . . . . . . . . 6345 1 1302 . 1 1 128 128 TYR CB C 13 39.554 0.085 . . . . . . . . . . 6345 1 1303 . 1 1 128 128 TYR HA H 1 4.659 0.014 . . . . . . . . . . 6345 1 1304 . 1 1 128 128 TYR HB2 H 1 2.901 0.011 . . . . . . . . . . 6345 1 1305 . 1 1 128 128 TYR HB3 H 1 3.334 0.011 . . . . . . . . . . 6345 1 1306 . 1 1 128 128 TYR H H 1 8.136 0.010 . . . . . . . . . . 6345 1 1307 . 1 1 128 128 TYR N N 15 110.784 0.068 . . . . . . . . . . 6345 1 1308 . 1 1 128 128 TYR HD1 H 1 7.374 0.015 . . . . . . . . . . 6345 1 1309 . 1 1 128 128 TYR HE1 H 1 7.158 0.000 . . . . . . . . . . 6345 1 1310 . 1 1 129 129 ILE C C 13 176.624 0.000 . . . . . . . . . . 6345 1 1311 . 1 1 129 129 ILE CA C 13 62.840 0.109 . . . . . . . . . . 6345 1 1312 . 1 1 129 129 ILE CB C 13 38.647 0.101 . . . . . . . . . . 6345 1 1313 . 1 1 129 129 ILE CD1 C 13 14.349 0.114 . . . . . . . . . . 6345 1 1314 . 1 1 129 129 ILE CG2 C 13 17.893 0.096 . . . . . . . . . . 6345 1 1315 . 1 1 129 129 ILE HA H 1 4.132 0.010 . . . . . . . . . . 6345 1 1316 . 1 1 129 129 ILE HB H 1 1.841 0.011 . . . . . . . . . . 6345 1 1317 . 1 1 129 129 ILE HG12 H 1 0.831 0.010 . . . . . . . . . . 6345 1 1318 . 1 1 129 129 ILE HG13 H 1 1.095 0.014 . . . . . . . . . . 6345 1 1319 . 1 1 129 129 ILE H H 1 7.833 0.008 . . . . . . . . . . 6345 1 1320 . 1 1 129 129 ILE N N 15 116.841 0.073 . . . . . . . . . . 6345 1 1321 . 1 1 129 129 ILE HD11 H 1 0.383 0.008 . . . . . . . . . . 6345 1 1322 . 1 1 129 129 ILE HD12 H 1 0.383 0.008 . . . . . . . . . . 6345 1 1323 . 1 1 129 129 ILE HD13 H 1 0.383 0.008 . . . . . . . . . . 6345 1 1324 . 1 1 129 129 ILE HG21 H 1 0.227 0.010 . . . . . . . . . . 6345 1 1325 . 1 1 129 129 ILE HG22 H 1 0.227 0.010 . . . . . . . . . . 6345 1 1326 . 1 1 129 129 ILE HG23 H 1 0.227 0.010 . . . . . . . . . . 6345 1 1327 . 1 1 130 130 ILE C C 13 178.739 0.000 . . . . . . . . . . 6345 1 1328 . 1 1 130 130 ILE CA C 13 63.069 0.065 . . . . . . . . . . 6345 1 1329 . 1 1 130 130 ILE CB C 13 35.415 0.131 . . . . . . . . . . 6345 1 1330 . 1 1 130 130 ILE CD1 C 13 10.339 0.056 . . . . . . . . . . 6345 1 1331 . 1 1 130 130 ILE CG2 C 13 17.779 0.104 . . . . . . . . . . 6345 1 1332 . 1 1 130 130 ILE HA H 1 3.852 0.010 . . . . . . . . . . 6345 1 1333 . 1 1 130 130 ILE HB H 1 2.668 0.017 . . . . . . . . . . 6345 1 1334 . 1 1 130 130 ILE H H 1 8.006 0.009 . . . . . . . . . . 6345 1 1335 . 1 1 130 130 ILE N N 15 119.112 0.073 . . . . . . . . . . 6345 1 1336 . 1 1 130 130 ILE HD11 H 1 0.821 0.005 . . . . . . . . . . 6345 1 1337 . 1 1 130 130 ILE HD12 H 1 0.821 0.005 . . . . . . . . . . 6345 1 1338 . 1 1 130 130 ILE HD13 H 1 0.821 0.005 . . . . . . . . . . 6345 1 1339 . 1 1 130 130 ILE HG21 H 1 1.006 0.007 . . . . . . . . . . 6345 1 1340 . 1 1 130 130 ILE HG22 H 1 1.006 0.007 . . . . . . . . . . 6345 1 1341 . 1 1 130 130 ILE HG23 H 1 1.006 0.007 . . . . . . . . . . 6345 1 1342 . 1 1 131 131 GLN C C 13 175.746 0.000 . . . . . . . . . . 6345 1 1343 . 1 1 131 131 GLN CA C 13 56.264 0.091 . . . . . . . . . . 6345 1 1344 . 1 1 131 131 GLN CB C 13 27.990 0.033 . . . . . . . . . . 6345 1 1345 . 1 1 131 131 GLN CG C 13 33.918 0.075 . . . . . . . . . . 6345 1 1346 . 1 1 131 131 GLN HA H 1 4.194 0.011 . . . . . . . . . . 6345 1 1347 . 1 1 131 131 GLN HG2 H 1 2.331 0.011 . . . . . . . . . . 6345 1 1348 . 1 1 131 131 GLN H H 1 8.256 0.008 . . . . . . . . . . 6345 1 1349 . 1 1 131 131 GLN N N 15 115.825 0.080 . . . . . . . . . . 6345 1 1350 . 1 1 132 132 ARG C C 13 175.255 0.000 . . . . . . . . . . 6345 1 1351 . 1 1 132 132 ARG CA C 13 56.431 0.119 . . . . . . . . . . 6345 1 1352 . 1 1 132 132 ARG CB C 13 30.890 0.091 . . . . . . . . . . 6345 1 1353 . 1 1 132 132 ARG CD C 13 43.540 0.013 . . . . . . . . . . 6345 1 1354 . 1 1 132 132 ARG CG C 13 27.274 0.089 . . . . . . . . . . 6345 1 1355 . 1 1 132 132 ARG HA H 1 4.283 0.012 . . . . . . . . . . 6345 1 1356 . 1 1 132 132 ARG HB2 H 1 1.666 0.014 . . . . . . . . . . 6345 1 1357 . 1 1 132 132 ARG HB3 H 1 1.812 0.017 . . . . . . . . . . 6345 1 1358 . 1 1 132 132 ARG HD2 H 1 3.273 0.011 . . . . . . . . . . 6345 1 1359 . 1 1 132 132 ARG HG2 H 1 3.166 0.000 . . . . . . . . . . 6345 1 1360 . 1 1 132 132 ARG HG3 H 1 3.392 0.000 . . . . . . . . . . 6345 1 1361 . 1 1 132 132 ARG H H 1 7.093 0.008 . . . . . . . . . . 6345 1 1362 . 1 1 132 132 ARG N N 15 119.897 0.019 . . . . . . . . . . 6345 1 1363 . 1 1 133 133 LYS CA C 13 58.004 0.054 . . . . . . . . . . 6345 1 1364 . 1 1 133 133 LYS CB C 13 33.564 0.110 . . . . . . . . . . 6345 1 1365 . 1 1 133 133 LYS HA H 1 4.164 0.009 . . . . . . . . . . 6345 1 1366 . 1 1 133 133 LYS HB2 H 1 1.913 0.041 . . . . . . . . . . 6345 1 1367 . 1 1 133 133 LYS HB3 H 1 1.743 0.012 . . . . . . . . . . 6345 1 1368 . 1 1 133 133 LYS H H 1 8.123 0.010 . . . . . . . . . . 6345 1 1369 . 1 1 133 133 LYS N N 15 129.602 0.031 . . . . . . . . . . 6345 1 stop_ save_