data_7182 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7182 _Entry.Title ; NMR Structure of YcgL, a Conserved Protein from Escherichia coli Representing the DUF709 Family with a Novel a/b/a Sandwich Fold ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-21 _Entry.Accession_date 2006-07-14 _Entry.Last_release_date 2007-03-05 _Entry.Original_release_date 2007-03-05 _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 O. Minailiuc . M. . 7182 2 O. Vavelyuk . . . 7182 3 I. Ekiel . . . 7182 4 M.-Ni. Hung . . . 7182 5 M. Cygler . . . 7182 6 S. Gandhi . . . 7182 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7182 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 422 7182 '15N chemical shifts' 99 7182 '1H chemical shifts' 612 7182 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 . . 2007-03-05 2006-06-21 original author . 7182 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2H7A 'BMRB Entry Tracking System' 7182 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7182 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17221885 _Citation.Full_citation . _Citation.Title 'NMR structure of YcgL, a conserved protein from Escherichia coli representing the DUF709 family, with a novel alpha/beta/alpha sandwich fold' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 66 _Citation.Journal_issue 4 _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 1004 _Citation.Page_last 1007 _Citation.Year 2007 _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 O. Minailiuc . M. . 7182 1 2 O. Vavelyuk . . . 7182 1 3 S. Gandhi . . . 7182 1 4 M-N Hung . . . 7182 1 5 M. Cygler . . . 7182 1 6 I. Ekiel . . . 7182 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3-layer (alpha/beta/alpha) sandwich' 7182 1 'beta-Sheet Layer Antiparallel 3124 topology' 7182 1 BSGI 7182 1 'Mixed ALPHA/BETA/ALPHA Sandwich Structure' 7182 1 'Montreal-Kingston Bacterial Structural Genomics Initiative' 7182 1 'Structural Genomics' 7182 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 7182 _Assembly.ID 1 _Assembly.Name 'Hypothetical protein ycgL' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7182 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 'Hypothetical protein ycgL' 1 $ycgL . . . native . . . . . 7182 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 yes PDB 2H7A . YcgL . . . . 7182 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hypothetical protein ycgL' abbreviation 7182 1 'Hypothetical protein ycgL' system 7182 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ycgL _Entity.Sf_category entity _Entity.Sf_framecode ycgL _Entity.Entry_ID 7182 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Hypothetical protein ycgL' _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 ; GSMPKPGILKSKSMFCVIYR SSKRDQTYLYVEKKDDFSRV PEELMKGFGQPQLAMILPLD GRKKLVNADIEKVKQALTEQ GYYLQLPPPPEDLLKQHLSV MGQKTDDTNK ; _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 110 _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 . _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 2H7A . "Nmr Structure Of The Conserved Protein Ycgl From Escherichia Coli Representing The Duf709 Family Reveals A Novel ABA SANDWICH F" . . . . . 100.00 110 100.00 100.00 9.27e-73 . . . . 7182 1 2 no DBJ BAA36013 . "conserved hypothetical protein [Escherichia coli str. K-12 substr. W3110]" . . . . . 98.18 108 100.00 100.00 4.01e-71 . . . . 7182 1 3 no DBJ BAB35097 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 98.18 108 100.00 100.00 4.01e-71 . . . . 7182 1 4 no DBJ BAG76750 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 98.18 108 99.07 99.07 5.21e-70 . . . . 7182 1 5 no DBJ BAI24991 . "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" . . . . . 88.18 97 98.97 98.97 4.32e-62 . . . . 7182 1 6 no DBJ BAI30116 . "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" . . . . . 88.18 97 98.97 98.97 4.32e-62 . . . . 7182 1 7 no EMBL CAP75714 . "Uncharacterized protein ycgl [Escherichia coli LF82]" . . . . . 98.18 108 100.00 100.00 4.01e-71 . . . . 7182 1 8 no EMBL CAQ31681 . "conserved protein [Escherichia coli BL21(DE3)]" . . . . . 98.18 108 99.07 99.07 5.21e-70 . . . . 7182 1 9 no EMBL CAQ98057 . "conserved hypothetical protein [Escherichia coli IAI1]" . . . . . 98.18 108 99.07 99.07 5.21e-70 . . . . 7182 1 10 no EMBL CAR02568 . "conserved hypothetical protein [Escherichia coli S88]" . . . . . 98.18 108 100.00 100.00 4.01e-71 . . . . 7182 1 11 no EMBL CAR07521 . "conserved hypothetical protein [Escherichia coli ED1a]" . . . . . 98.18 108 100.00 100.00 4.01e-71 . . . . 7182 1 12 no GB AAC74263 . "UPF0745 family protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 88.18 97 100.00 100.00 3.26e-63 . . . . 7182 1 13 no GB AAG56030 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 98.18 108 100.00 100.00 4.01e-71 . . . . 7182 1 14 no GB AAN42784 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 98.18 108 99.07 99.07 5.21e-70 . . . . 7182 1 15 no GB AAN80092 . "Protein ycgL [Escherichia coli CFT073]" . . . . . 98.18 108 100.00 100.00 4.01e-71 . . . . 7182 1 16 no GB AAP16675 . "hypothetical protein S1256 [Shigella flexneri 2a str. 2457T]" . . . . . 98.18 108 98.15 98.15 1.87e-69 . . . . 7182 1 17 no REF NP_287418 . "hypothetical protein Z1941 [Escherichia coli O157:H7 str. EDL933]" . . . . . 98.18 108 100.00 100.00 4.01e-71 . . . . 7182 1 18 no REF NP_309701 . "hypothetical protein ECs1674 [Escherichia coli O157:H7 str. Sakai]" . . . . . 88.18 97 100.00 100.00 3.26e-63 . . . . 7182 1 19 no REF NP_415697 . "UPF0745 family protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 88.18 97 100.00 100.00 3.26e-63 . . . . 7182 1 20 no REF NP_707077 . "hypothetical protein SF1168 [Shigella flexneri 2a str. 301]" . . . . . 98.18 108 99.07 99.07 5.21e-70 . . . . 7182 1 21 no REF NP_753532 . "hypothetical protein c1627 [Escherichia coli CFT073]" . . . . . 98.18 108 100.00 100.00 4.01e-71 . . . . 7182 1 22 no SP A1AAA3 . "RecName: Full=Protein YcgL [Escherichia coli APEC O1]" . . . . . 98.18 108 100.00 100.00 4.01e-71 . . . . 7182 1 23 no SP A7ZKV0 . "RecName: Full=Protein YcgL [Escherichia coli E24377A]" . . . . . 98.18 108 99.07 99.07 5.21e-70 . . . . 7182 1 24 no SP A7ZZB3 . "RecName: Full=Protein YcgL [Escherichia coli HS]" . . . . . 98.18 108 99.07 99.07 5.21e-70 . . . . 7182 1 25 no SP B1IUB2 . "RecName: Full=Protein YcgL [Escherichia coli ATCC 8739]" . . . . . 98.18 108 99.07 99.07 5.21e-70 . . . . 7182 1 26 no SP B1LHY8 . "RecName: Full=Protein YcgL [Escherichia coli SMS-3-5]" . . . . . 98.18 108 100.00 100.00 4.01e-71 . . . . 7182 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Hypothetical protein ycgL' abbreviation 7182 1 'Hypothetical protein ycgL' common 7182 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 7182 1 2 . SER . 7182 1 3 . MET . 7182 1 4 . PRO . 7182 1 5 . LYS . 7182 1 6 . PRO . 7182 1 7 . GLY . 7182 1 8 . ILE . 7182 1 9 . LEU . 7182 1 10 . LYS . 7182 1 11 . SER . 7182 1 12 . LYS . 7182 1 13 . SER . 7182 1 14 . MET . 7182 1 15 . PHE . 7182 1 16 . CYS . 7182 1 17 . VAL . 7182 1 18 . ILE . 7182 1 19 . TYR . 7182 1 20 . ARG . 7182 1 21 . SER . 7182 1 22 . SER . 7182 1 23 . LYS . 7182 1 24 . ARG . 7182 1 25 . ASP . 7182 1 26 . GLN . 7182 1 27 . THR . 7182 1 28 . TYR . 7182 1 29 . LEU . 7182 1 30 . TYR . 7182 1 31 . VAL . 7182 1 32 . GLU . 7182 1 33 . LYS . 7182 1 34 . LYS . 7182 1 35 . ASP . 7182 1 36 . ASP . 7182 1 37 . PHE . 7182 1 38 . SER . 7182 1 39 . ARG . 7182 1 40 . VAL . 7182 1 41 . PRO . 7182 1 42 . GLU . 7182 1 43 . GLU . 7182 1 44 . LEU . 7182 1 45 . MET . 7182 1 46 . LYS . 7182 1 47 . GLY . 7182 1 48 . PHE . 7182 1 49 . GLY . 7182 1 50 . GLN . 7182 1 51 . PRO . 7182 1 52 . GLN . 7182 1 53 . LEU . 7182 1 54 . ALA . 7182 1 55 . MET . 7182 1 56 . ILE . 7182 1 57 . LEU . 7182 1 58 . PRO . 7182 1 59 . LEU . 7182 1 60 . ASP . 7182 1 61 . GLY . 7182 1 62 . ARG . 7182 1 63 . LYS . 7182 1 64 . LYS . 7182 1 65 . LEU . 7182 1 66 . VAL . 7182 1 67 . ASN . 7182 1 68 . ALA . 7182 1 69 . ASP . 7182 1 70 . ILE . 7182 1 71 . GLU . 7182 1 72 . LYS . 7182 1 73 . VAL . 7182 1 74 . LYS . 7182 1 75 . GLN . 7182 1 76 . ALA . 7182 1 77 . LEU . 7182 1 78 . THR . 7182 1 79 . GLU . 7182 1 80 . GLN . 7182 1 81 . GLY . 7182 1 82 . TYR . 7182 1 83 . TYR . 7182 1 84 . LEU . 7182 1 85 . GLN . 7182 1 86 . LEU . 7182 1 87 . PRO . 7182 1 88 . PRO . 7182 1 89 . PRO . 7182 1 90 . PRO . 7182 1 91 . GLU . 7182 1 92 . ASP . 7182 1 93 . LEU . 7182 1 94 . LEU . 7182 1 95 . LYS . 7182 1 96 . GLN . 7182 1 97 . HIS . 7182 1 98 . LEU . 7182 1 99 . SER . 7182 1 100 . VAL . 7182 1 101 . MET . 7182 1 102 . GLY . 7182 1 103 . GLN . 7182 1 104 . LYS . 7182 1 105 . THR . 7182 1 106 . ASP . 7182 1 107 . ASP . 7182 1 108 . THR . 7182 1 109 . ASN . 7182 1 110 . LYS . 7182 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 7182 1 . SER 2 2 7182 1 . MET 3 3 7182 1 . PRO 4 4 7182 1 . LYS 5 5 7182 1 . PRO 6 6 7182 1 . GLY 7 7 7182 1 . ILE 8 8 7182 1 . LEU 9 9 7182 1 . LYS 10 10 7182 1 . SER 11 11 7182 1 . LYS 12 12 7182 1 . SER 13 13 7182 1 . MET 14 14 7182 1 . PHE 15 15 7182 1 . CYS 16 16 7182 1 . VAL 17 17 7182 1 . ILE 18 18 7182 1 . TYR 19 19 7182 1 . ARG 20 20 7182 1 . SER 21 21 7182 1 . SER 22 22 7182 1 . LYS 23 23 7182 1 . ARG 24 24 7182 1 . ASP 25 25 7182 1 . GLN 26 26 7182 1 . THR 27 27 7182 1 . TYR 28 28 7182 1 . LEU 29 29 7182 1 . TYR 30 30 7182 1 . VAL 31 31 7182 1 . GLU 32 32 7182 1 . LYS 33 33 7182 1 . LYS 34 34 7182 1 . ASP 35 35 7182 1 . ASP 36 36 7182 1 . PHE 37 37 7182 1 . SER 38 38 7182 1 . ARG 39 39 7182 1 . VAL 40 40 7182 1 . PRO 41 41 7182 1 . GLU 42 42 7182 1 . GLU 43 43 7182 1 . LEU 44 44 7182 1 . MET 45 45 7182 1 . LYS 46 46 7182 1 . GLY 47 47 7182 1 . PHE 48 48 7182 1 . GLY 49 49 7182 1 . GLN 50 50 7182 1 . PRO 51 51 7182 1 . GLN 52 52 7182 1 . LEU 53 53 7182 1 . ALA 54 54 7182 1 . MET 55 55 7182 1 . ILE 56 56 7182 1 . LEU 57 57 7182 1 . PRO 58 58 7182 1 . LEU 59 59 7182 1 . ASP 60 60 7182 1 . GLY 61 61 7182 1 . ARG 62 62 7182 1 . LYS 63 63 7182 1 . LYS 64 64 7182 1 . LEU 65 65 7182 1 . VAL 66 66 7182 1 . ASN 67 67 7182 1 . ALA 68 68 7182 1 . ASP 69 69 7182 1 . ILE 70 70 7182 1 . GLU 71 71 7182 1 . LYS 72 72 7182 1 . VAL 73 73 7182 1 . LYS 74 74 7182 1 . GLN 75 75 7182 1 . ALA 76 76 7182 1 . LEU 77 77 7182 1 . THR 78 78 7182 1 . GLU 79 79 7182 1 . GLN 80 80 7182 1 . GLY 81 81 7182 1 . TYR 82 82 7182 1 . TYR 83 83 7182 1 . LEU 84 84 7182 1 . GLN 85 85 7182 1 . LEU 86 86 7182 1 . PRO 87 87 7182 1 . PRO 88 88 7182 1 . PRO 89 89 7182 1 . PRO 90 90 7182 1 . GLU 91 91 7182 1 . ASP 92 92 7182 1 . LEU 93 93 7182 1 . LEU 94 94 7182 1 . LYS 95 95 7182 1 . GLN 96 96 7182 1 . HIS 97 97 7182 1 . LEU 98 98 7182 1 . SER 99 99 7182 1 . VAL 100 100 7182 1 . MET 101 101 7182 1 . GLY 102 102 7182 1 . GLN 103 103 7182 1 . LYS 104 104 7182 1 . THR 105 105 7182 1 . ASP 106 106 7182 1 . ASP 107 107 7182 1 . THR 108 108 7182 1 . ASN 109 109 7182 1 . LYS 110 110 7182 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 7182 _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 $ycgL . 562 . . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 7182 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 7182 _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 $ycgL . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7182 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7182 _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 'Hypothetical protein ycgL' . . . 1 $ycgL . . . . . . . . . . 7182 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 7182 1 3 DTT . . . . . . . 15 . . mM . . . . 7182 1 4 'sodium azide' . . . . . . . 0.02 . . '% (w/v)' . . . . 7182 1 5 D2O . . . . . . . 10 . . % . . . . 7182 1 6 H2O . . . . . . . 90 . . % . . . . 7182 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7182 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 7182 1 pH 6.8 . pH 7182 1 pressure 1 . atm 7182 1 temperature 308 . K 7182 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7182 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7182 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7182 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details 'Frank Delaglio' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7182 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 7182 _Software.ID 3 _Software.Name CARA _Software.Version 135 _Software.Details 'Rochus Keller' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7182 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 7182 _Software.ID 4 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7182 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 7182 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details 'Peter Guntert' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7182 5 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 7182 _Software.ID 6 _Software.Name 'X-PLOR NIH' _Software.Version 2112 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7182 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7182 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7182 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 500 . . . 7182 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 7182 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7182 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7182 1 3 '3D 13C-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7182 1 4 '2D TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7182 1 5 HNHA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7182 1 6 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7182 1 7 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7182 1 8 HN(CA)CO . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7182 1 9 HBHA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7182 1 10 3D-HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7182 1 11 '1H-15N TOCSY-HMQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7182 1 stop_ 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 7182 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 7182 1 H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 7182 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 7182 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7182 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 7182 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 4 4 PRO CD C 13 50.695 0.000 . . . . . . . . . . 7182 1 2 . 1 1 4 4 PRO CA C 13 63.429 0.000 . . . . . . . . . . 7182 1 3 . 1 1 4 4 PRO HA H 1 4.475 0.000 . . . . . . . . . . 7182 1 4 . 1 1 4 4 PRO CB C 13 31.909 0.000 . . . . . . . . . . 7182 1 5 . 1 1 4 4 PRO HB2 H 1 2.324 0.000 . . . . . . . . . . 7182 1 6 . 1 1 4 4 PRO HB3 H 1 1.946 0.000 . . . . . . . . . . 7182 1 7 . 1 1 4 4 PRO CG C 13 27.307 0.000 . . . . . . . . . . 7182 1 8 . 1 1 4 4 PRO HG2 H 1 2.060 0.000 . . . . . . . . . . 7182 1 9 . 1 1 4 4 PRO HD2 H 1 3.742 0.000 . . . . . . . . . . 7182 1 10 . 1 1 4 4 PRO HD3 H 1 3.857 0.000 . . . . . . . . . . 7182 1 11 . 1 1 5 5 LYS N N 15 121.793 0.000 . . . . . . . . . . 7182 1 12 . 1 1 5 5 LYS H H 1 8.211 0.000 . . . . . . . . . . 7182 1 13 . 1 1 5 5 LYS HA H 1 4.488 0.000 . . . . . . . . . . 7182 1 14 . 1 1 5 5 LYS HB2 H 1 1.734 0.000 . . . . . . . . . . 7182 1 15 . 1 1 5 5 LYS HG2 H 1 1.450 0.000 . . . . . . . . . . 7182 1 16 . 1 1 5 5 LYS HD2 H 1 1.736 0.000 . . . . . . . . . . 7182 1 17 . 1 1 5 5 LYS HE2 H 1 2.773 0.000 . . . . . . . . . . 7182 1 18 . 1 1 6 6 PRO CD C 13 50.835 0.000 . . . . . . . . . . 7182 1 19 . 1 1 6 6 PRO CA C 13 63.522 0.000 . . . . . . . . . . 7182 1 20 . 1 1 6 6 PRO HA H 1 4.475 0.000 . . . . . . . . . . 7182 1 21 . 1 1 6 6 PRO CB C 13 32.056 0.000 . . . . . . . . . . 7182 1 22 . 1 1 6 6 PRO HB2 H 1 2.330 0.000 . . . . . . . . . . 7182 1 23 . 1 1 6 6 PRO HB3 H 1 1.990 0.000 . . . . . . . . . . 7182 1 24 . 1 1 6 6 PRO CG C 13 27.283 0.000 . . . . . . . . . . 7182 1 25 . 1 1 6 6 PRO HG2 H 1 2.062 0.000 . . . . . . . . . . 7182 1 26 . 1 1 6 6 PRO HD2 H 1 3.717 0.000 . . . . . . . . . . 7182 1 27 . 1 1 6 6 PRO HD3 H 1 3.865 0.000 . . . . . . . . . . 7182 1 28 . 1 1 7 7 GLY N N 15 109.648 0.000 . . . . . . . . . . 7182 1 29 . 1 1 7 7 GLY H H 1 8.472 0.000 . . . . . . . . . . 7182 1 30 . 1 1 7 7 GLY CA C 13 45.235 0.000 . . . . . . . . . . 7182 1 31 . 1 1 7 7 GLY HA2 H 1 4.012 0.000 . . . . . . . . . . 7182 1 32 . 1 1 7 7 GLY HA3 H 1 3.959 0.000 . . . . . . . . . . 7182 1 33 . 1 1 7 7 GLY C C 13 171.439 0.000 . . . . . . . . . . 7182 1 34 . 1 1 8 8 ILE N N 15 120.531 0.000 . . . . . . . . . . 7182 1 35 . 1 1 8 8 ILE H H 1 7.928 0.000 . . . . . . . . . . 7182 1 36 . 1 1 8 8 ILE CA C 13 60.905 0.000 . . . . . . . . . . 7182 1 37 . 1 1 8 8 ILE HA H 1 4.216 0.000 . . . . . . . . . . 7182 1 38 . 1 1 8 8 ILE CB C 13 38.520 0.000 . . . . . . . . . . 7182 1 39 . 1 1 8 8 ILE HB H 1 1.921 0.000 . . . . . . . . . . 7182 1 40 . 1 1 8 8 ILE HG21 H 1 0.929 0.000 . . . . . . . . . . 7182 1 41 . 1 1 8 8 ILE HG22 H 1 0.929 0.000 . . . . . . . . . . 7182 1 42 . 1 1 8 8 ILE HG23 H 1 0.929 0.000 . . . . . . . . . . 7182 1 43 . 1 1 8 8 ILE CG2 C 13 17.365 0.000 . . . . . . . . . . 7182 1 44 . 1 1 8 8 ILE CG1 C 13 27.279 0.000 . . . . . . . . . . 7182 1 45 . 1 1 8 8 ILE HG12 H 1 1.229 0.000 . . . . . . . . . . 7182 1 46 . 1 1 8 8 ILE HG13 H 1 1.467 0.000 . . . . . . . . . . 7182 1 47 . 1 1 8 8 ILE HD11 H 1 0.889 0.000 . . . . . . . . . . 7182 1 48 . 1 1 8 8 ILE HD12 H 1 0.889 0.000 . . . . . . . . . . 7182 1 49 . 1 1 8 8 ILE HD13 H 1 0.889 0.000 . . . . . . . . . . 7182 1 50 . 1 1 8 8 ILE CD1 C 13 12.769 0.000 . . . . . . . . . . 7182 1 51 . 1 1 8 8 ILE C C 13 173.555 0.000 . . . . . . . . . . 7182 1 52 . 1 1 9 9 LEU N N 15 126.756 0.000 . . . . . . . . . . 7182 1 53 . 1 1 9 9 LEU H H 1 8.318 0.000 . . . . . . . . . . 7182 1 54 . 1 1 9 9 LEU CA C 13 55.010 0.000 . . . . . . . . . . 7182 1 55 . 1 1 9 9 LEU HA H 1 4.427 0.000 . . . . . . . . . . 7182 1 56 . 1 1 9 9 LEU CB C 13 42.238 0.000 . . . . . . . . . . 7182 1 57 . 1 1 9 9 LEU HB2 H 1 1.688 0.000 . . . . . . . . . . 7182 1 58 . 1 1 9 9 LEU HB3 H 1 1.639 0.000 . . . . . . . . . . 7182 1 59 . 1 1 9 9 LEU HD11 H 1 0.968 0.000 . . . . . . . . . . 7182 1 60 . 1 1 9 9 LEU HD12 H 1 0.968 0.000 . . . . . . . . . . 7182 1 61 . 1 1 9 9 LEU HD13 H 1 0.968 0.000 . . . . . . . . . . 7182 1 62 . 1 1 9 9 LEU HD21 H 1 0.913 0.000 . . . . . . . . . . 7182 1 63 . 1 1 9 9 LEU HD22 H 1 0.913 0.000 . . . . . . . . . . 7182 1 64 . 1 1 9 9 LEU HD23 H 1 0.913 0.000 . . . . . . . . . . 7182 1 65 . 1 1 9 9 LEU CD1 C 13 24.876 0.000 . . . . . . . . . . 7182 1 66 . 1 1 9 9 LEU CD2 C 13 23.195 0.000 . . . . . . . . . . 7182 1 67 . 1 1 9 9 LEU C C 13 174.451 0.000 . . . . . . . . . . 7182 1 68 . 1 1 10 10 LYS N N 15 123.489 0.000 . . . . . . . . . . 7182 1 69 . 1 1 10 10 LYS H H 1 8.310 0.000 . . . . . . . . . . 7182 1 70 . 1 1 10 10 LYS CA C 13 62.416 0.000 . . . . . . . . . . 7182 1 71 . 1 1 10 10 LYS HA H 1 4.511 0.000 . . . . . . . . . . 7182 1 72 . 1 1 12 12 LYS N N 15 123.335 0.000 . . . . . . . . . . 7182 1 73 . 1 1 12 12 LYS H H 1 8.326 0.000 . . . . . . . . . . 7182 1 74 . 1 1 12 12 LYS CA C 13 56.007 0.000 . . . . . . . . . . 7182 1 75 . 1 1 12 12 LYS HA H 1 4.397 0.000 . . . . . . . . . . 7182 1 76 . 1 1 12 12 LYS CB C 13 32.759 0.000 . . . . . . . . . . 7182 1 77 . 1 1 12 12 LYS HB2 H 1 1.860 0.000 . . . . . . . . . . 7182 1 78 . 1 1 12 12 LYS HB3 H 1 1.856 0.000 . . . . . . . . . . 7182 1 79 . 1 1 12 12 LYS HG2 H 1 1.501 0.000 . . . . . . . . . . 7182 1 80 . 1 1 12 12 LYS HG3 H 1 1.469 0.000 . . . . . . . . . . 7182 1 81 . 1 1 12 12 LYS HE2 H 1 3.053 0.000 . . . . . . . . . . 7182 1 82 . 1 1 13 13 SER N N 15 117.537 0.000 . . . . . . . . . . 7182 1 83 . 1 1 13 13 SER H H 1 8.287 0.000 . . . . . . . . . . 7182 1 84 . 1 1 13 13 SER CA C 13 58.117 0.000 . . . . . . . . . . 7182 1 85 . 1 1 13 13 SER HA H 1 4.464 0.000 . . . . . . . . . . 7182 1 86 . 1 1 13 13 SER CB C 13 63.484 0.000 . . . . . . . . . . 7182 1 87 . 1 1 13 13 SER HB2 H 1 3.840 0.000 . . . . . . . . . . 7182 1 88 . 1 1 14 14 MET N N 15 122.969 0.000 . . . . . . . . . . 7182 1 89 . 1 1 14 14 MET H H 1 8.490 0.000 . . . . . . . . . . 7182 1 90 . 1 1 14 14 MET CA C 13 55.262 0.000 . . . . . . . . . . 7182 1 91 . 1 1 14 14 MET HA H 1 4.623 0.000 . . . . . . . . . . 7182 1 92 . 1 1 14 14 MET CB C 13 33.933 0.000 . . . . . . . . . . 7182 1 93 . 1 1 14 14 MET HB2 H 1 1.999 0.000 . . . . . . . . . . 7182 1 94 . 1 1 14 14 MET CG C 13 32.249 0.000 . . . . . . . . . . 7182 1 95 . 1 1 14 14 MET HG2 H 1 2.602 0.000 . . . . . . . . . . 7182 1 96 . 1 1 14 14 MET HG3 H 1 2.503 0.000 . . . . . . . . . . 7182 1 97 . 1 1 14 14 MET C C 13 171.866 0.000 . . . . . . . . . . 7182 1 98 . 1 1 15 15 PHE N N 15 121.796 0.000 . . . . . . . . . . 7182 1 99 . 1 1 15 15 PHE H H 1 8.438 0.000 . . . . . . . . . . 7182 1 100 . 1 1 15 15 PHE CA C 13 56.632 0.000 . . . . . . . . . . 7182 1 101 . 1 1 15 15 PHE HA H 1 5.225 0.000 . . . . . . . . . . 7182 1 102 . 1 1 15 15 PHE CB C 13 42.260 0.000 . . . . . . . . . . 7182 1 103 . 1 1 15 15 PHE HB2 H 1 2.986 0.000 . . . . . . . . . . 7182 1 104 . 1 1 15 15 PHE HD1 H 1 7.109 0.000 . . . . . . . . . . 7182 1 105 . 1 1 15 15 PHE HE1 H 1 7.341 0.000 . . . . . . . . . . 7182 1 106 . 1 1 15 15 PHE CD1 C 13 132.431 0.000 . . . . . . . . . . 7182 1 107 . 1 1 15 15 PHE CE1 C 13 132.206 0.000 . . . . . . . . . . 7182 1 108 . 1 1 15 15 PHE CZ C 13 132.302 0.000 . . . . . . . . . . 7182 1 109 . 1 1 15 15 PHE HZ H 1 7.109 0.000 . . . . . . . . . . 7182 1 110 . 1 1 15 15 PHE CE2 C 13 132.206 0.000 . . . . . . . . . . 7182 1 111 . 1 1 15 15 PHE CD2 C 13 132.431 0.000 . . . . . . . . . . 7182 1 112 . 1 1 16 16 CYS N N 15 114.301 0.000 . . . . . . . . . . 7182 1 113 . 1 1 16 16 CYS H H 1 8.806 0.000 . . . . . . . . . . 7182 1 114 . 1 1 16 16 CYS CA C 13 55.961 0.000 . . . . . . . . . . 7182 1 115 . 1 1 16 16 CYS HA H 1 5.279 0.000 . . . . . . . . . . 7182 1 116 . 1 1 16 16 CYS CB C 13 31.407 0.000 . . . . . . . . . . 7182 1 117 . 1 1 16 16 CYS HB2 H 1 3.151 0.000 . . . . . . . . . . 7182 1 118 . 1 1 16 16 CYS HB3 H 1 2.808 0.000 . . . . . . . . . . 7182 1 119 . 1 1 16 16 CYS C C 13 168.486 0.000 . . . . . . . . . . 7182 1 120 . 1 1 17 17 VAL N N 15 122.003 0.000 . . . . . . . . . . 7182 1 121 . 1 1 17 17 VAL H H 1 8.998 0.000 . . . . . . . . . . 7182 1 122 . 1 1 17 17 VAL CA C 13 62.008 0.000 . . . . . . . . . . 7182 1 123 . 1 1 17 17 VAL HA H 1 4.499 0.000 . . . . . . . . . . 7182 1 124 . 1 1 17 17 VAL CB C 13 33.016 0.000 . . . . . . . . . . 7182 1 125 . 1 1 17 17 VAL HB H 1 1.873 0.000 . . . . . . . . . . 7182 1 126 . 1 1 17 17 VAL HG11 H 1 0.718 0.000 . . . . . . . . . . 7182 1 127 . 1 1 17 17 VAL HG12 H 1 0.718 0.000 . . . . . . . . . . 7182 1 128 . 1 1 17 17 VAL HG13 H 1 0.718 0.000 . . . . . . . . . . 7182 1 129 . 1 1 17 17 VAL HG21 H 1 0.820 0.000 . . . . . . . . . . 7182 1 130 . 1 1 17 17 VAL HG22 H 1 0.820 0.000 . . . . . . . . . . 7182 1 131 . 1 1 17 17 VAL HG23 H 1 0.820 0.000 . . . . . . . . . . 7182 1 132 . 1 1 17 17 VAL CG1 C 13 23.100 0.000 . . . . . . . . . . 7182 1 133 . 1 1 17 17 VAL CG2 C 13 21.006 0.000 . . . . . . . . . . 7182 1 134 . 1 1 17 17 VAL C C 13 171.230 0.000 . . . . . . . . . . 7182 1 135 . 1 1 18 18 ILE N N 15 124.820 0.000 . . . . . . . . . . 7182 1 136 . 1 1 18 18 ILE H H 1 8.752 0.000 . . . . . . . . . . 7182 1 137 . 1 1 18 18 ILE CA C 13 60.921 0.000 . . . . . . . . . . 7182 1 138 . 1 1 18 18 ILE HA H 1 4.767 0.000 . . . . . . . . . . 7182 1 139 . 1 1 18 18 ILE CB C 13 39.161 0.000 . . . . . . . . . . 7182 1 140 . 1 1 18 18 ILE HB H 1 1.541 0.000 . . . . . . . . . . 7182 1 141 . 1 1 18 18 ILE HG21 H 1 0.518 0.000 . . . . . . . . . . 7182 1 142 . 1 1 18 18 ILE HG22 H 1 0.518 0.000 . . . . . . . . . . 7182 1 143 . 1 1 18 18 ILE HG23 H 1 0.518 0.000 . . . . . . . . . . 7182 1 144 . 1 1 18 18 ILE CG2 C 13 17.662 0.000 . . . . . . . . . . 7182 1 145 . 1 1 18 18 ILE CG1 C 13 26.918 0.000 . . . . . . . . . . 7182 1 146 . 1 1 18 18 ILE HG12 H 1 1.262 0.000 . . . . . . . . . . 7182 1 147 . 1 1 18 18 ILE HG13 H 1 0.169 0.000 . . . . . . . . . . 7182 1 148 . 1 1 18 18 ILE HD11 H 1 0.536 0.000 . . . . . . . . . . 7182 1 149 . 1 1 18 18 ILE HD12 H 1 0.536 0.000 . . . . . . . . . . 7182 1 150 . 1 1 18 18 ILE HD13 H 1 0.536 0.000 . . . . . . . . . . 7182 1 151 . 1 1 18 18 ILE CD1 C 13 15.039 0.000 . . . . . . . . . . 7182 1 152 . 1 1 18 18 ILE C C 13 172.672 0.000 . . . . . . . . . . 7182 1 153 . 1 1 19 19 TYR N N 15 126.689 0.000 . . . . . . . . . . 7182 1 154 . 1 1 19 19 TYR H H 1 9.981 0.000 . . . . . . . . . . 7182 1 155 . 1 1 19 19 TYR CA C 13 57.351 0.000 . . . . . . . . . . 7182 1 156 . 1 1 19 19 TYR HA H 1 5.206 0.000 . . . . . . . . . . 7182 1 157 . 1 1 19 19 TYR CB C 13 42.013 0.000 . . . . . . . . . . 7182 1 158 . 1 1 19 19 TYR HB2 H 1 3.129 0.000 . . . . . . . . . . 7182 1 159 . 1 1 19 19 TYR HB3 H 1 3.058 0.000 . . . . . . . . . . 7182 1 160 . 1 1 19 19 TYR HD2 H 1 7.065 0.000 . . . . . . . . . . 7182 1 161 . 1 1 19 19 TYR HE1 H 1 6.832 0.000 . . . . . . . . . . 7182 1 162 . 1 1 19 19 TYR CD1 C 13 133.065 0.000 . . . . . . . . . . 7182 1 163 . 1 1 19 19 TYR CE1 C 13 118.744 0.000 . . . . . . . . . . 7182 1 164 . 1 1 19 19 TYR CE2 C 13 118.744 0.000 . . . . . . . . . . 7182 1 165 . 1 1 19 19 TYR CD2 C 13 133.065 0.000 . . . . . . . . . . 7182 1 166 . 1 1 19 19 TYR C C 13 172.834 0.000 . . . . . . . . . . 7182 1 167 . 1 1 20 20 ARG N N 15 122.224 0.000 . . . . . . . . . . 7182 1 168 . 1 1 20 20 ARG H H 1 9.943 0.000 . . . . . . . . . . 7182 1 169 . 1 1 20 20 ARG CA C 13 54.124 0.000 . . . . . . . . . . 7182 1 170 . 1 1 20 20 ARG HA H 1 5.075 0.000 . . . . . . . . . . 7182 1 171 . 1 1 20 20 ARG CB C 13 33.494 0.000 . . . . . . . . . . 7182 1 172 . 1 1 20 20 ARG HB2 H 1 1.866 0.000 . . . . . . . . . . 7182 1 173 . 1 1 20 20 ARG HB3 H 1 1.972 0.000 . . . . . . . . . . 7182 1 174 . 1 1 20 20 ARG CG C 13 27.441 0.000 . . . . . . . . . . 7182 1 175 . 1 1 20 20 ARG HG3 H 1 1.440 0.000 . . . . . . . . . . 7182 1 176 . 1 1 20 20 ARG HG2 H 1 1.730 0.000 . . . . . . . . . . 7182 1 177 . 1 1 20 20 ARG CD C 13 43.391 0.000 . . . . . . . . . . 7182 1 178 . 1 1 20 20 ARG HD2 H 1 3.299 0.000 . . . . . . . . . . 7182 1 179 . 1 1 20 20 ARG C C 13 172.114 0.000 . . . . . . . . . . 7182 1 180 . 1 1 21 21 SER N N 15 116.249 0.000 . . . . . . . . . . 7182 1 181 . 1 1 21 21 SER H H 1 7.808 0.000 . . . . . . . . . . 7182 1 182 . 1 1 21 21 SER CA C 13 56.649 0.000 . . . . . . . . . . 7182 1 183 . 1 1 21 21 SER HA H 1 3.830 0.000 . . . . . . . . . . 7182 1 184 . 1 1 21 21 SER CB C 13 63.479 0.000 . . . . . . . . . . 7182 1 185 . 1 1 21 21 SER HB2 H 1 3.480 0.000 . . . . . . . . . . 7182 1 186 . 1 1 21 21 SER HB3 H 1 2.195 0.000 . . . . . . . . . . 7182 1 187 . 1 1 21 21 SER C C 13 173.202 0.000 . . . . . . . . . . 7182 1 188 . 1 1 22 22 SER N N 15 121.576 0.000 . . . . . . . . . . 7182 1 189 . 1 1 22 22 SER H H 1 8.041 0.000 . . . . . . . . . . 7182 1 190 . 1 1 22 22 SER CA C 13 59.845 0.000 . . . . . . . . . . 7182 1 191 . 1 1 22 22 SER HA H 1 4.360 0.000 . . . . . . . . . . 7182 1 192 . 1 1 22 22 SER CB C 13 63.116 0.000 . . . . . . . . . . 7182 1 193 . 1 1 22 22 SER HB3 H 1 3.998 0.000 . . . . . . . . . . 7182 1 194 . 1 1 22 22 SER HB2 H 1 4.035 0.000 . . . . . . . . . . 7182 1 195 . 1 1 22 22 SER C C 13 171.509 0.000 . . . . . . . . . . 7182 1 196 . 1 1 23 23 LYS N N 15 120.485 0.000 . . . . . . . . . . 7182 1 197 . 1 1 23 23 LYS H H 1 7.715 0.000 . . . . . . . . . . 7182 1 198 . 1 1 23 23 LYS CA C 13 56.739 0.000 . . . . . . . . . . 7182 1 199 . 1 1 23 23 LYS HA H 1 4.391 0.000 . . . . . . . . . . 7182 1 200 . 1 1 23 23 LYS CB C 13 34.816 0.000 . . . . . . . . . . 7182 1 201 . 1 1 23 23 LYS HB2 H 1 1.686 0.000 . . . . . . . . . . 7182 1 202 . 1 1 23 23 LYS HB3 H 1 1.514 0.000 . . . . . . . . . . 7182 1 203 . 1 1 23 23 LYS CG C 13 24.349 0.000 . . . . . . . . . . 7182 1 204 . 1 1 23 23 LYS HG2 H 1 1.321 0.000 . . . . . . . . . . 7182 1 205 . 1 1 23 23 LYS CD C 13 28.794 0.000 . . . . . . . . . . 7182 1 206 . 1 1 23 23 LYS CE C 13 41.967 0.000 . . . . . . . . . . 7182 1 207 . 1 1 23 23 LYS HZ1 H 1 6.127 0.000 . . . . . . . . . . 7182 1 208 . 1 1 23 23 LYS HZ2 H 1 6.127 0.000 . . . . . . . . . . 7182 1 209 . 1 1 23 23 LYS HZ3 H 1 6.127 0.000 . . . . . . . . . . 7182 1 210 . 1 1 23 23 LYS C C 13 173.230 0.000 . . . . . . . . . . 7182 1 211 . 1 1 24 24 ARG N N 15 119.260 0.000 . . . . . . . . . . 7182 1 212 . 1 1 24 24 ARG H H 1 7.522 0.000 . . . . . . . . . . 7182 1 213 . 1 1 24 24 ARG CA C 13 54.135 0.000 . . . . . . . . . . 7182 1 214 . 1 1 24 24 ARG HA H 1 4.497 0.000 . . . . . . . . . . 7182 1 215 . 1 1 24 24 ARG CB C 13 31.019 0.000 . . . . . . . . . . 7182 1 216 . 1 1 24 24 ARG HB2 H 1 1.781 0.000 . . . . . . . . . . 7182 1 217 . 1 1 24 24 ARG HG2 H 1 1.500 0.000 . . . . . . . . . . 7182 1 218 . 1 1 25 25 ASP N N 15 124.470 0.000 . . . . . . . . . . 7182 1 219 . 1 1 25 25 ASP H H 1 8.463 0.000 . . . . . . . . . . 7182 1 220 . 1 1 25 25 ASP CA C 13 55.036 0.000 . . . . . . . . . . 7182 1 221 . 1 1 25 25 ASP HA H 1 4.494 0.000 . . . . . . . . . . 7182 1 222 . 1 1 25 25 ASP CB C 13 41.355 0.000 . . . . . . . . . . 7182 1 223 . 1 1 25 25 ASP HB2 H 1 2.622 0.000 . . . . . . . . . . 7182 1 224 . 1 1 25 25 ASP HB3 H 1 2.699 0.000 . . . . . . . . . . 7182 1 225 . 1 1 25 25 ASP C C 13 174.592 0.000 . . . . . . . . . . 7182 1 226 . 1 1 26 26 GLN N N 15 118.446 0.000 . . . . . . . . . . 7182 1 227 . 1 1 26 26 GLN H H 1 8.815 0.000 . . . . . . . . . . 7182 1 228 . 1 1 26 26 GLN CA C 13 57.099 0.000 . . . . . . . . . . 7182 1 229 . 1 1 26 26 GLN HA H 1 3.770 0.000 . . . . . . . . . . 7182 1 230 . 1 1 26 26 GLN CB C 13 27.023 0.000 . . . . . . . . . . 7182 1 231 . 1 1 26 26 GLN HB2 H 1 2.135 0.000 . . . . . . . . . . 7182 1 232 . 1 1 26 26 GLN CG C 13 33.680 0.000 . . . . . . . . . . 7182 1 233 . 1 1 26 26 GLN HG2 H 1 2.400 0.000 . . . . . . . . . . 7182 1 234 . 1 1 26 26 GLN NE2 N 15 112.086 0.000 . . . . . . . . . . 7182 1 235 . 1 1 26 26 GLN HE21 H 1 7.386 0.000 . . . . . . . . . . 7182 1 236 . 1 1 26 26 GLN HE22 H 1 6.934 0.000 . . . . . . . . . . 7182 1 237 . 1 1 26 26 GLN C C 13 169.772 0.000 . . . . . . . . . . 7182 1 238 . 1 1 27 27 THR N N 15 113.337 0.000 . . . . . . . . . . 7182 1 239 . 1 1 27 27 THR H H 1 6.982 0.000 . . . . . . . . . . 7182 1 240 . 1 1 27 27 THR CA C 13 61.667 0.000 . . . . . . . . . . 7182 1 241 . 1 1 27 27 THR HA H 1 5.099 0.000 . . . . . . . . . . 7182 1 242 . 1 1 27 27 THR CB C 13 69.618 0.000 . . . . . . . . . . 7182 1 243 . 1 1 27 27 THR HB H 1 3.684 0.000 . . . . . . . . . . 7182 1 244 . 1 1 27 27 THR HG21 H 1 1.260 0.000 . . . . . . . . . . 7182 1 245 . 1 1 27 27 THR HG22 H 1 1.260 0.000 . . . . . . . . . . 7182 1 246 . 1 1 27 27 THR HG23 H 1 1.260 0.000 . . . . . . . . . . 7182 1 247 . 1 1 27 27 THR CG2 C 13 19.908 0.000 . . . . . . . . . . 7182 1 248 . 1 1 27 27 THR C C 13 170.495 0.000 . . . . . . . . . . 7182 1 249 . 1 1 28 28 TYR N N 15 124.227 0.000 . . . . . . . . . . 7182 1 250 . 1 1 28 28 TYR H H 1 9.038 0.000 . . . . . . . . . . 7182 1 251 . 1 1 28 28 TYR CA C 13 56.212 0.000 . . . . . . . . . . 7182 1 252 . 1 1 28 28 TYR HA H 1 5.871 0.000 . . . . . . . . . . 7182 1 253 . 1 1 28 28 TYR CB C 13 43.012 0.000 . . . . . . . . . . 7182 1 254 . 1 1 28 28 TYR HB2 H 1 3.031 0.000 . . . . . . . . . . 7182 1 255 . 1 1 28 28 TYR HB3 H 1 2.937 0.000 . . . . . . . . . . 7182 1 256 . 1 1 28 28 TYR HD2 H 1 6.940 0.000 . . . . . . . . . . 7182 1 257 . 1 1 28 28 TYR HE1 H 1 6.689 0.000 . . . . . . . . . . 7182 1 258 . 1 1 28 28 TYR CD1 C 13 131.672 0.000 . . . . . . . . . . 7182 1 259 . 1 1 28 28 TYR CE1 C 13 118.114 0.000 . . . . . . . . . . 7182 1 260 . 1 1 28 28 TYR CE2 C 13 118.114 0.000 . . . . . . . . . . 7182 1 261 . 1 1 28 28 TYR CD2 C 13 131.672 0.000 . . . . . . . . . . 7182 1 262 . 1 1 28 28 TYR C C 13 170.695 0.000 . . . . . . . . . . 7182 1 263 . 1 1 29 29 LEU N N 15 124.897 0.000 . . . . . . . . . . 7182 1 264 . 1 1 29 29 LEU H H 1 9.579 0.000 . . . . . . . . . . 7182 1 265 . 1 1 29 29 LEU CA C 13 53.486 0.000 . . . . . . . . . . 7182 1 266 . 1 1 29 29 LEU HA H 1 5.455 0.000 . . . . . . . . . . 7182 1 267 . 1 1 29 29 LEU CB C 13 47.332 0.000 . . . . . . . . . . 7182 1 268 . 1 1 29 29 LEU HB2 H 1 1.484 0.000 . . . . . . . . . . 7182 1 269 . 1 1 29 29 LEU HB3 H 1 0.905 0.000 . . . . . . . . . . 7182 1 270 . 1 1 29 29 LEU CG C 13 27.341 0.000 . . . . . . . . . . 7182 1 271 . 1 1 29 29 LEU HG H 1 1.450 0.000 . . . . . . . . . . 7182 1 272 . 1 1 29 29 LEU HD11 H 1 0.400 0.000 . . . . . . . . . . 7182 1 273 . 1 1 29 29 LEU HD12 H 1 0.400 0.000 . . . . . . . . . . 7182 1 274 . 1 1 29 29 LEU HD13 H 1 0.400 0.000 . . . . . . . . . . 7182 1 275 . 1 1 29 29 LEU HD21 H 1 0.646 0.000 . . . . . . . . . . 7182 1 276 . 1 1 29 29 LEU HD22 H 1 0.646 0.000 . . . . . . . . . . 7182 1 277 . 1 1 29 29 LEU HD23 H 1 0.646 0.000 . . . . . . . . . . 7182 1 278 . 1 1 29 29 LEU CD1 C 13 26.074 0.000 . . . . . . . . . . 7182 1 279 . 1 1 29 29 LEU CD2 C 13 23.650 0.000 . . . . . . . . . . 7182 1 280 . 1 1 29 29 LEU C C 13 171.579 0.000 . . . . . . . . . . 7182 1 281 . 1 1 30 30 TYR N N 15 128.545 0.000 . . . . . . . . . . 7182 1 282 . 1 1 30 30 TYR H H 1 9.990 0.000 . . . . . . . . . . 7182 1 283 . 1 1 30 30 TYR CA C 13 55.702 0.000 . . . . . . . . . . 7182 1 284 . 1 1 30 30 TYR HA H 1 5.845 0.000 . . . . . . . . . . 7182 1 285 . 1 1 30 30 TYR CB C 13 39.247 0.000 . . . . . . . . . . 7182 1 286 . 1 1 30 30 TYR HB2 H 1 3.538 0.000 . . . . . . . . . . 7182 1 287 . 1 1 30 30 TYR HB3 H 1 2.734 0.000 . . . . . . . . . . 7182 1 288 . 1 1 30 30 TYR HD2 H 1 7.407 0.000 . . . . . . . . . . 7182 1 289 . 1 1 30 30 TYR HE1 H 1 6.767 0.000 . . . . . . . . . . 7182 1 290 . 1 1 30 30 TYR CD1 C 13 134.229 0.000 . . . . . . . . . . 7182 1 291 . 1 1 30 30 TYR CE1 C 13 118.250 0.000 . . . . . . . . . . 7182 1 292 . 1 1 30 30 TYR CE2 C 13 118.250 0.000 . . . . . . . . . . 7182 1 293 . 1 1 30 30 TYR CD2 C 13 134.229 0.000 . . . . . . . . . . 7182 1 294 . 1 1 30 30 TYR C C 13 173.532 0.000 . . . . . . . . . . 7182 1 295 . 1 1 31 31 VAL N N 15 113.516 0.000 . . . . . . . . . . 7182 1 296 . 1 1 31 31 VAL H H 1 9.249 0.000 . . . . . . . . . . 7182 1 297 . 1 1 31 31 VAL CA C 13 59.719 0.000 . . . . . . . . . . 7182 1 298 . 1 1 31 31 VAL HA H 1 5.074 0.000 . . . . . . . . . . 7182 1 299 . 1 1 31 31 VAL CB C 13 35.767 0.000 . . . . . . . . . . 7182 1 300 . 1 1 31 31 VAL HB H 1 2.740 0.000 . . . . . . . . . . 7182 1 301 . 1 1 31 31 VAL HG11 H 1 0.919 0.000 . . . . . . . . . . 7182 1 302 . 1 1 31 31 VAL HG12 H 1 0.919 0.000 . . . . . . . . . . 7182 1 303 . 1 1 31 31 VAL HG13 H 1 0.919 0.000 . . . . . . . . . . 7182 1 304 . 1 1 31 31 VAL HG21 H 1 1.161 0.000 . . . . . . . . . . 7182 1 305 . 1 1 31 31 VAL HG22 H 1 1.161 0.000 . . . . . . . . . . 7182 1 306 . 1 1 31 31 VAL HG23 H 1 1.161 0.000 . . . . . . . . . . 7182 1 307 . 1 1 31 31 VAL CG1 C 13 18.867 0.000 . . . . . . . . . . 7182 1 308 . 1 1 31 31 VAL CG2 C 13 22.642 0.000 . . . . . . . . . . 7182 1 309 . 1 1 31 31 VAL C C 13 172.602 0.000 . . . . . . . . . . 7182 1 310 . 1 1 32 32 GLU N N 15 119.470 0.000 . . . . . . . . . . 7182 1 311 . 1 1 32 32 GLU H H 1 8.225 0.000 . . . . . . . . . . 7182 1 312 . 1 1 32 32 GLU CA C 13 59.923 0.000 . . . . . . . . . . 7182 1 313 . 1 1 32 32 GLU HA H 1 4.277 0.000 . . . . . . . . . . 7182 1 314 . 1 1 32 32 GLU CB C 13 32.202 0.000 . . . . . . . . . . 7182 1 315 . 1 1 32 32 GLU HB3 H 1 2.107 0.000 . . . . . . . . . . 7182 1 316 . 1 1 32 32 GLU HB2 H 1 2.157 0.000 . . . . . . . . . . 7182 1 317 . 1 1 32 32 GLU CG C 13 38.207 0.000 . . . . . . . . . . 7182 1 318 . 1 1 32 32 GLU HG3 H 1 2.237 0.000 . . . . . . . . . . 7182 1 319 . 1 1 32 32 GLU HG2 H 1 2.440 0.000 . . . . . . . . . . 7182 1 320 . 1 1 32 32 GLU C C 13 173.090 0.000 . . . . . . . . . . 7182 1 321 . 1 1 33 33 LYS N N 15 117.365 0.000 . . . . . . . . . . 7182 1 322 . 1 1 33 33 LYS H H 1 8.649 0.000 . . . . . . . . . . 7182 1 323 . 1 1 33 33 LYS CA C 13 54.236 0.000 . . . . . . . . . . 7182 1 324 . 1 1 33 33 LYS HA H 1 4.578 0.000 . . . . . . . . . . 7182 1 325 . 1 1 33 33 LYS CB C 13 35.520 0.000 . . . . . . . . . . 7182 1 326 . 1 1 33 33 LYS HB2 H 1 1.841 0.000 . . . . . . . . . . 7182 1 327 . 1 1 33 33 LYS HB3 H 1 1.782 0.000 . . . . . . . . . . 7182 1 328 . 1 1 33 33 LYS HG2 H 1 1.389 0.000 . . . . . . . . . . 7182 1 329 . 1 1 33 33 LYS HG3 H 1 1.450 0.000 . . . . . . . . . . 7182 1 330 . 1 1 33 33 LYS CD C 13 29.312 0.000 . . . . . . . . . . 7182 1 331 . 1 1 33 33 LYS HD2 H 1 1.760 0.000 . . . . . . . . . . 7182 1 332 . 1 1 33 33 LYS CE C 13 42.038 0.000 . . . . . . . . . . 7182 1 333 . 1 1 33 33 LYS HE2 H 1 3.034 0.000 . . . . . . . . . . 7182 1 334 . 1 1 33 33 LYS C C 13 171.904 0.000 . . . . . . . . . . 7182 1 335 . 1 1 34 34 LYS N N 15 122.203 0.000 . . . . . . . . . . 7182 1 336 . 1 1 34 34 LYS H H 1 8.476 0.000 . . . . . . . . . . 7182 1 337 . 1 1 34 34 LYS CA C 13 58.299 0.000 . . . . . . . . . . 7182 1 338 . 1 1 34 34 LYS HA H 1 3.834 0.000 . . . . . . . . . . 7182 1 339 . 1 1 34 34 LYS C C 13 173.904 0.000 . . . . . . . . . . 7182 1 340 . 1 1 35 35 ASP N N 15 117.655 0.000 . . . . . . . . . . 7182 1 341 . 1 1 35 35 ASP H H 1 8.350 0.000 . . . . . . . . . . 7182 1 342 . 1 1 35 35 ASP CA C 13 56.092 0.000 . . . . . . . . . . 7182 1 343 . 1 1 35 35 ASP HA H 1 3.933 0.000 . . . . . . . . . . 7182 1 344 . 1 1 35 35 ASP CB C 13 39.395 0.000 . . . . . . . . . . 7182 1 345 . 1 1 35 35 ASP HB3 H 1 2.886 0.000 . . . . . . . . . . 7182 1 346 . 1 1 35 35 ASP HB2 H 1 2.978 0.000 . . . . . . . . . . 7182 1 347 . 1 1 35 35 ASP C C 13 172.648 0.000 . . . . . . . . . . 7182 1 348 . 1 1 36 36 ASP N N 15 117.855 0.000 . . . . . . . . . . 7182 1 349 . 1 1 36 36 ASP H H 1 7.247 0.000 . . . . . . . . . . 7182 1 350 . 1 1 36 36 ASP CA C 13 52.864 0.000 . . . . . . . . . . 7182 1 351 . 1 1 36 36 ASP HA H 1 4.815 0.000 . . . . . . . . . . 7182 1 352 . 1 1 36 36 ASP CB C 13 40.647 0.000 . . . . . . . . . . 7182 1 353 . 1 1 36 36 ASP HB2 H 1 2.986 0.000 . . . . . . . . . . 7182 1 354 . 1 1 36 36 ASP HB3 H 1 2.198 0.000 . . . . . . . . . . 7182 1 355 . 1 1 36 36 ASP C C 13 172.792 0.000 . . . . . . . . . . 7182 1 356 . 1 1 37 37 PHE N N 15 125.673 0.000 . . . . . . . . . . 7182 1 357 . 1 1 37 37 PHE H H 1 8.597 0.000 . . . . . . . . . . 7182 1 358 . 1 1 37 37 PHE CA C 13 56.153 0.000 . . . . . . . . . . 7182 1 359 . 1 1 37 37 PHE HA H 1 4.766 0.000 . . . . . . . . . . 7182 1 360 . 1 1 37 37 PHE CB C 13 37.907 0.000 . . . . . . . . . . 7182 1 361 . 1 1 37 37 PHE HB2 H 1 3.507 0.000 . . . . . . . . . . 7182 1 362 . 1 1 37 37 PHE HB3 H 1 2.665 0.000 . . . . . . . . . . 7182 1 363 . 1 1 37 37 PHE HD1 H 1 6.957 0.000 . . . . . . . . . . 7182 1 364 . 1 1 37 37 PHE HE1 H 1 6.722 0.000 . . . . . . . . . . 7182 1 365 . 1 1 37 37 PHE CD1 C 13 134.260 0.000 . . . . . . . . . . 7182 1 366 . 1 1 37 37 PHE HZ H 1 5.669 0.000 . . . . . . . . . . 7182 1 367 . 1 1 37 37 PHE CD2 C 13 134.260 0.000 . . . . . . . . . . 7182 1 368 . 1 1 37 37 PHE C C 13 175.322 0.000 . . . . . . . . . . 7182 1 369 . 1 1 38 38 SER N N 15 118.512 0.000 . . . . . . . . . . 7182 1 370 . 1 1 38 38 SER H H 1 8.572 0.000 . . . . . . . . . . 7182 1 371 . 1 1 38 38 SER CA C 13 61.945 0.000 . . . . . . . . . . 7182 1 372 . 1 1 38 38 SER HA H 1 4.150 0.000 . . . . . . . . . . 7182 1 373 . 1 1 38 38 SER CB C 13 62.749 0.000 . . . . . . . . . . 7182 1 374 . 1 1 38 38 SER HB2 H 1 4.093 0.000 . . . . . . . . . . 7182 1 375 . 1 1 39 39 ARG N N 15 120.732 0.000 . . . . . . . . . . 7182 1 376 . 1 1 39 39 ARG H H 1 8.824 0.000 . . . . . . . . . . 7182 1 377 . 1 1 39 39 ARG CA C 13 55.730 0.000 . . . . . . . . . . 7182 1 378 . 1 1 39 39 ARG HA H 1 4.530 0.000 . . . . . . . . . . 7182 1 379 . 1 1 39 39 ARG CB C 13 29.891 0.000 . . . . . . . . . . 7182 1 380 . 1 1 39 39 ARG HB2 H 1 2.692 0.000 . . . . . . . . . . 7182 1 381 . 1 1 39 39 ARG HB3 H 1 1.723 0.000 . . . . . . . . . . 7182 1 382 . 1 1 39 39 ARG CG C 13 27.080 0.000 . . . . . . . . . . 7182 1 383 . 1 1 39 39 ARG CD C 13 43.170 0.000 . . . . . . . . . . 7182 1 384 . 1 1 39 39 ARG C C 13 172.913 0.000 . . . . . . . . . . 7182 1 385 . 1 1 40 40 VAL N N 15 122.389 0.000 . . . . . . . . . . 7182 1 386 . 1 1 40 40 VAL H H 1 7.660 0.000 . . . . . . . . . . 7182 1 387 . 1 1 40 40 VAL CA C 13 60.006 0.000 . . . . . . . . . . 7182 1 388 . 1 1 40 40 VAL HA H 1 3.522 0.000 . . . . . . . . . . 7182 1 389 . 1 1 40 40 VAL CB C 13 32.189 0.000 . . . . . . . . . . 7182 1 390 . 1 1 40 40 VAL HB H 1 2.065 0.000 . . . . . . . . . . 7182 1 391 . 1 1 40 40 VAL HG11 H 1 0.519 0.000 . . . . . . . . . . 7182 1 392 . 1 1 40 40 VAL HG12 H 1 0.519 0.000 . . . . . . . . . . 7182 1 393 . 1 1 40 40 VAL HG13 H 1 0.519 0.000 . . . . . . . . . . 7182 1 394 . 1 1 40 40 VAL HG21 H 1 0.806 0.000 . . . . . . . . . . 7182 1 395 . 1 1 40 40 VAL HG22 H 1 0.806 0.000 . . . . . . . . . . 7182 1 396 . 1 1 40 40 VAL HG23 H 1 0.806 0.000 . . . . . . . . . . 7182 1 397 . 1 1 40 40 VAL CG1 C 13 21.511 0.000 . . . . . . . . . . 7182 1 398 . 1 1 40 40 VAL CG2 C 13 21.479 0.000 . . . . . . . . . . 7182 1 399 . 1 1 40 40 VAL C C 13 171.899 0.000 . . . . . . . . . . 7182 1 400 . 1 1 41 41 PRO CD C 13 51.721 0.000 . . . . . . . . . . 7182 1 401 . 1 1 41 41 PRO CA C 13 63.300 0.000 . . . . . . . . . . 7182 1 402 . 1 1 41 41 PRO HA H 1 4.356 0.000 . . . . . . . . . . 7182 1 403 . 1 1 41 41 PRO CB C 13 32.525 0.000 . . . . . . . . . . 7182 1 404 . 1 1 41 41 PRO HB2 H 1 2.551 0.000 . . . . . . . . . . 7182 1 405 . 1 1 41 41 PRO HB3 H 1 1.830 0.000 . . . . . . . . . . 7182 1 406 . 1 1 41 41 PRO CG C 13 27.822 0.000 . . . . . . . . . . 7182 1 407 . 1 1 41 41 PRO HG2 H 1 2.152 0.000 . . . . . . . . . . 7182 1 408 . 1 1 41 41 PRO HD2 H 1 2.999 0.000 . . . . . . . . . . 7182 1 409 . 1 1 41 41 PRO HD3 H 1 3.949 0.000 . . . . . . . . . . 7182 1 410 . 1 1 42 42 GLU N N 15 127.137 0.000 . . . . . . . . . . 7182 1 411 . 1 1 42 42 GLU H H 1 8.991 0.000 . . . . . . . . . . 7182 1 412 . 1 1 42 42 GLU CA C 13 60.012 0.000 . . . . . . . . . . 7182 1 413 . 1 1 42 42 GLU HA H 1 3.869 0.000 . . . . . . . . . . 7182 1 414 . 1 1 42 42 GLU CB C 13 29.603 0.000 . . . . . . . . . . 7182 1 415 . 1 1 42 42 GLU HB2 H 1 2.135 0.000 . . . . . . . . . . 7182 1 416 . 1 1 42 42 GLU HB3 H 1 2.024 0.000 . . . . . . . . . . 7182 1 417 . 1 1 42 42 GLU CG C 13 35.532 0.000 . . . . . . . . . . 7182 1 418 . 1 1 42 42 GLU HG2 H 1 2.349 0.000 . . . . . . . . . . 7182 1 419 . 1 1 42 42 GLU HG3 H 1 2.266 0.000 . . . . . . . . . . 7182 1 420 . 1 1 42 42 GLU C C 13 176.020 0.000 . . . . . . . . . . 7182 1 421 . 1 1 43 43 GLU N N 15 118.171 0.000 . . . . . . . . . . 7182 1 422 . 1 1 43 43 GLU H H 1 9.347 0.000 . . . . . . . . . . 7182 1 423 . 1 1 43 43 GLU CA C 13 59.194 0.000 . . . . . . . . . . 7182 1 424 . 1 1 43 43 GLU HA H 1 4.019 0.000 . . . . . . . . . . 7182 1 425 . 1 1 43 43 GLU CB C 13 28.588 0.000 . . . . . . . . . . 7182 1 426 . 1 1 43 43 GLU HB2 H 1 2.064 0.000 . . . . . . . . . . 7182 1 427 . 1 1 43 43 GLU HB3 H 1 2.029 0.000 . . . . . . . . . . 7182 1 428 . 1 1 43 43 GLU CG C 13 35.318 0.000 . . . . . . . . . . 7182 1 429 . 1 1 43 43 GLU HG2 H 1 2.364 0.000 . . . . . . . . . . 7182 1 430 . 1 1 43 43 GLU HG3 H 1 2.322 0.000 . . . . . . . . . . 7182 1 431 . 1 1 43 43 GLU C C 13 176.252 0.000 . . . . . . . . . . 7182 1 432 . 1 1 44 44 LEU N N 15 120.952 0.000 . . . . . . . . . . 7182 1 433 . 1 1 44 44 LEU H H 1 6.989 0.000 . . . . . . . . . . 7182 1 434 . 1 1 44 44 LEU CA C 13 57.499 0.000 . . . . . . . . . . 7182 1 435 . 1 1 44 44 LEU HA H 1 4.199 0.000 . . . . . . . . . . 7182 1 436 . 1 1 44 44 LEU CB C 13 41.761 0.000 . . . . . . . . . . 7182 1 437 . 1 1 44 44 LEU HB2 H 1 1.695 0.000 . . . . . . . . . . 7182 1 438 . 1 1 44 44 LEU HB3 H 1 1.508 0.000 . . . . . . . . . . 7182 1 439 . 1 1 44 44 LEU HG H 1 1.247 0.000 . . . . . . . . . . 7182 1 440 . 1 1 44 44 LEU HD11 H 1 0.752 0.000 . . . . . . . . . . 7182 1 441 . 1 1 44 44 LEU HD12 H 1 0.752 0.000 . . . . . . . . . . 7182 1 442 . 1 1 44 44 LEU HD13 H 1 0.752 0.000 . . . . . . . . . . 7182 1 443 . 1 1 44 44 LEU HD21 H 1 0.744 0.000 . . . . . . . . . . 7182 1 444 . 1 1 44 44 LEU HD22 H 1 0.744 0.000 . . . . . . . . . . 7182 1 445 . 1 1 44 44 LEU HD23 H 1 0.744 0.000 . . . . . . . . . . 7182 1 446 . 1 1 44 44 LEU CD1 C 13 25.939 0.000 . . . . . . . . . . 7182 1 447 . 1 1 44 44 LEU CD2 C 13 23.730 0.000 . . . . . . . . . . 7182 1 448 . 1 1 44 44 LEU C C 13 177.159 0.000 . . . . . . . . . . 7182 1 449 . 1 1 45 45 MET N N 15 119.255 0.000 . . . . . . . . . . 7182 1 450 . 1 1 45 45 MET H H 1 7.623 0.000 . . . . . . . . . . 7182 1 451 . 1 1 45 45 MET CA C 13 56.082 0.000 . . . . . . . . . . 7182 1 452 . 1 1 45 45 MET HA H 1 4.336 0.000 . . . . . . . . . . 7182 1 453 . 1 1 45 45 MET CB C 13 29.996 0.000 . . . . . . . . . . 7182 1 454 . 1 1 45 45 MET HB2 H 1 2.001 0.000 . . . . . . . . . . 7182 1 455 . 1 1 45 45 MET HB3 H 1 1.945 0.000 . . . . . . . . . . 7182 1 456 . 1 1 45 45 MET CG C 13 32.470 0.000 . . . . . . . . . . 7182 1 457 . 1 1 45 45 MET HE1 H 1 1.178 0.000 . . . . . . . . . . 7182 1 458 . 1 1 45 45 MET HE2 H 1 1.178 0.000 . . . . . . . . . . 7182 1 459 . 1 1 45 45 MET HE3 H 1 1.178 0.000 . . . . . . . . . . 7182 1 460 . 1 1 45 45 MET CE C 13 14.880 0.000 . . . . . . . . . . 7182 1 461 . 1 1 45 45 MET C C 13 177.112 0.000 . . . . . . . . . . 7182 1 462 . 1 1 46 46 LYS N N 15 120.849 0.000 . . . . . . . . . . 7182 1 463 . 1 1 46 46 LYS H H 1 8.403 0.000 . . . . . . . . . . 7182 1 464 . 1 1 46 46 LYS CA C 13 59.284 0.000 . . . . . . . . . . 7182 1 465 . 1 1 46 46 LYS HA H 1 4.052 0.000 . . . . . . . . . . 7182 1 466 . 1 1 46 46 LYS CB C 13 32.014 0.000 . . . . . . . . . . 7182 1 467 . 1 1 46 46 LYS CG C 13 24.424 0.000 . . . . . . . . . . 7182 1 468 . 1 1 46 46 LYS CD C 13 31.941 0.000 . . . . . . . . . . 7182 1 469 . 1 1 46 46 LYS CE C 13 41.981 0.000 . . . . . . . . . . 7182 1 470 . 1 1 46 46 LYS C C 13 176.624 0.000 . . . . . . . . . . 7182 1 471 . 1 1 47 47 GLY N N 15 105.249 0.000 . . . . . . . . . . 7182 1 472 . 1 1 47 47 GLY H H 1 7.454 0.000 . . . . . . . . . . 7182 1 473 . 1 1 47 47 GLY CA C 13 45.663 0.000 . . . . . . . . . . 7182 1 474 . 1 1 47 47 GLY HA2 H 1 4.067 0.000 . . . . . . . . . . 7182 1 475 . 1 1 47 47 GLY HA3 H 1 3.902 0.000 . . . . . . . . . . 7182 1 476 . 1 1 47 47 GLY C C 13 171.718 0.000 . . . . . . . . . . 7182 1 477 . 1 1 48 48 PHE N N 15 122.490 0.000 . . . . . . . . . . 7182 1 478 . 1 1 48 48 PHE H H 1 8.002 0.000 . . . . . . . . . . 7182 1 479 . 1 1 48 48 PHE CA C 13 60.490 0.000 . . . . . . . . . . 7182 1 480 . 1 1 48 48 PHE HA H 1 3.999 0.000 . . . . . . . . . . 7182 1 481 . 1 1 48 48 PHE CB C 13 41.132 0.000 . . . . . . . . . . 7182 1 482 . 1 1 48 48 PHE HB2 H 1 3.180 0.000 . . . . . . . . . . 7182 1 483 . 1 1 48 48 PHE HD1 H 1 7.024 0.000 . . . . . . . . . . 7182 1 484 . 1 1 48 48 PHE HE1 H 1 7.163 0.000 . . . . . . . . . . 7182 1 485 . 1 1 48 48 PHE CD1 C 13 132.439 0.000 . . . . . . . . . . 7182 1 486 . 1 1 48 48 PHE CE1 C 13 132.591 0.000 . . . . . . . . . . 7182 1 487 . 1 1 48 48 PHE HZ H 1 6.900 0.000 . . . . . . . . . . 7182 1 488 . 1 1 48 48 PHE CE2 C 13 132.591 0.000 . . . . . . . . . . 7182 1 489 . 1 1 48 48 PHE CD2 C 13 132.439 0.000 . . . . . . . . . . 7182 1 490 . 1 1 48 48 PHE C C 13 174.671 0.000 . . . . . . . . . . 7182 1 491 . 1 1 49 49 GLY N N 15 105.768 0.000 . . . . . . . . . . 7182 1 492 . 1 1 49 49 GLY H H 1 7.789 0.000 . . . . . . . . . . 7182 1 493 . 1 1 49 49 GLY CA C 13 43.739 0.000 . . . . . . . . . . 7182 1 494 . 1 1 49 49 GLY HA2 H 1 3.750 0.000 . . . . . . . . . . 7182 1 495 . 1 1 49 49 GLY HA3 H 1 3.970 0.000 . . . . . . . . . . 7182 1 496 . 1 1 49 49 GLY C C 13 169.765 0.000 . . . . . . . . . . 7182 1 497 . 1 1 50 50 GLN N N 15 121.534 0.000 . . . . . . . . . . 7182 1 498 . 1 1 50 50 GLN H H 1 8.367 0.000 . . . . . . . . . . 7182 1 499 . 1 1 50 50 GLN CA C 13 54.585 0.000 . . . . . . . . . . 7182 1 500 . 1 1 50 50 GLN HA H 1 4.497 0.000 . . . . . . . . . . 7182 1 501 . 1 1 50 50 GLN CB C 13 28.881 0.000 . . . . . . . . . . 7182 1 502 . 1 1 50 50 GLN HB2 H 1 2.011 0.000 . . . . . . . . . . 7182 1 503 . 1 1 50 50 GLN HG2 H 1 2.359 0.000 . . . . . . . . . . 7182 1 504 . 1 1 50 50 GLN NE2 N 15 112.978 0.000 . . . . . . . . . . 7182 1 505 . 1 1 50 50 GLN HE21 H 1 7.607 0.000 . . . . . . . . . . 7182 1 506 . 1 1 50 50 GLN HE22 H 1 6.959 0.000 . . . . . . . . . . 7182 1 507 . 1 1 51 51 PRO CD C 13 50.939 0.000 . . . . . . . . . . 7182 1 508 . 1 1 51 51 PRO CA C 13 62.678 0.000 . . . . . . . . . . 7182 1 509 . 1 1 51 51 PRO HA H 1 4.869 0.000 . . . . . . . . . . 7182 1 510 . 1 1 51 51 PRO CB C 13 32.681 0.000 . . . . . . . . . . 7182 1 511 . 1 1 51 51 PRO HB2 H 1 1.767 0.000 . . . . . . . . . . 7182 1 512 . 1 1 51 51 PRO CG C 13 27.410 0.000 . . . . . . . . . . 7182 1 513 . 1 1 51 51 PRO HG2 H 1 1.349 0.000 . . . . . . . . . . 7182 1 514 . 1 1 51 51 PRO HG3 H 1 1.147 0.000 . . . . . . . . . . 7182 1 515 . 1 1 51 51 PRO HD2 H 1 3.478 0.000 . . . . . . . . . . 7182 1 516 . 1 1 51 51 PRO HD3 H 1 4.078 0.000 . . . . . . . . . . 7182 1 517 . 1 1 52 52 GLN N N 15 123.406 0.000 . . . . . . . . . . 7182 1 518 . 1 1 52 52 GLN H H 1 9.022 0.000 . . . . . . . . . . 7182 1 519 . 1 1 52 52 GLN CA C 13 54.060 0.000 . . . . . . . . . . 7182 1 520 . 1 1 52 52 GLN HA H 1 4.949 0.000 . . . . . . . . . . 7182 1 521 . 1 1 52 52 GLN CB C 13 30.446 0.000 . . . . . . . . . . 7182 1 522 . 1 1 52 52 GLN HB2 H 1 2.081 0.000 . . . . . . . . . . 7182 1 523 . 1 1 52 52 GLN CG C 13 33.805 0.000 . . . . . . . . . . 7182 1 524 . 1 1 52 52 GLN HG2 H 1 2.426 0.000 . . . . . . . . . . 7182 1 525 . 1 1 52 52 GLN NE2 N 15 112.341 0.000 . . . . . . . . . . 7182 1 526 . 1 1 52 52 GLN HE21 H 1 7.522 0.000 . . . . . . . . . . 7182 1 527 . 1 1 52 52 GLN HE22 H 1 6.878 0.000 . . . . . . . . . . 7182 1 528 . 1 1 53 53 LEU N N 15 130.879 0.000 . . . . . . . . . . 7182 1 529 . 1 1 53 53 LEU H H 1 9.297 0.000 . . . . . . . . . . 7182 1 530 . 1 1 53 53 LEU CA C 13 58.455 0.000 . . . . . . . . . . 7182 1 531 . 1 1 53 53 LEU HA H 1 3.548 0.000 . . . . . . . . . . 7182 1 532 . 1 1 53 53 LEU CB C 13 41.232 0.000 . . . . . . . . . . 7182 1 533 . 1 1 53 53 LEU HB2 H 1 1.570 0.000 . . . . . . . . . . 7182 1 534 . 1 1 53 53 LEU HB3 H 1 1.800 0.000 . . . . . . . . . . 7182 1 535 . 1 1 53 53 LEU CG C 13 27.310 0.000 . . . . . . . . . . 7182 1 536 . 1 1 53 53 LEU HG H 1 1.137 0.000 . . . . . . . . . . 7182 1 537 . 1 1 53 53 LEU HD11 H 1 0.770 0.000 . . . . . . . . . . 7182 1 538 . 1 1 53 53 LEU HD12 H 1 0.770 0.000 . . . . . . . . . . 7182 1 539 . 1 1 53 53 LEU HD13 H 1 0.770 0.000 . . . . . . . . . . 7182 1 540 . 1 1 53 53 LEU HD21 H 1 0.550 0.000 . . . . . . . . . . 7182 1 541 . 1 1 53 53 LEU HD22 H 1 0.550 0.000 . . . . . . . . . . 7182 1 542 . 1 1 53 53 LEU HD23 H 1 0.550 0.000 . . . . . . . . . . 7182 1 543 . 1 1 53 53 LEU CD1 C 13 25.290 0.000 . . . . . . . . . . 7182 1 544 . 1 1 53 53 LEU CD2 C 13 24.390 0.000 . . . . . . . . . . 7182 1 545 . 1 1 53 53 LEU C C 13 174.532 0.000 . . . . . . . . . . 7182 1 546 . 1 1 54 54 ALA N N 15 131.042 0.000 . . . . . . . . . . 7182 1 547 . 1 1 54 54 ALA H H 1 9.511 0.000 . . . . . . . . . . 7182 1 548 . 1 1 54 54 ALA CA C 13 53.155 0.000 . . . . . . . . . . 7182 1 549 . 1 1 54 54 ALA HA H 1 4.782 0.000 . . . . . . . . . . 7182 1 550 . 1 1 54 54 ALA HB1 H 1 1.385 0.000 . . . . . . . . . . 7182 1 551 . 1 1 54 54 ALA HB2 H 1 1.385 0.000 . . . . . . . . . . 7182 1 552 . 1 1 54 54 ALA HB3 H 1 1.385 0.000 . . . . . . . . . . 7182 1 553 . 1 1 54 54 ALA CB C 13 19.861 0.000 . . . . . . . . . . 7182 1 554 . 1 1 54 54 ALA C C 13 169.757 0.000 . . . . . . . . . . 7182 1 555 . 1 1 55 55 MET N N 15 113.430 0.000 . . . . . . . . . . 7182 1 556 . 1 1 55 55 MET H H 1 7.755 0.000 . . . . . . . . . . 7182 1 557 . 1 1 55 55 MET CA C 13 55.628 0.000 . . . . . . . . . . 7182 1 558 . 1 1 55 55 MET HA H 1 4.560 0.000 . . . . . . . . . . 7182 1 559 . 1 1 55 55 MET CB C 13 35.755 0.000 . . . . . . . . . . 7182 1 560 . 1 1 55 55 MET CG C 13 31.114 0.000 . . . . . . . . . . 7182 1 561 . 1 1 55 55 MET C C 13 169.880 0.000 . . . . . . . . . . 7182 1 562 . 1 1 56 56 ILE N N 15 122.887 0.000 . . . . . . . . . . 7182 1 563 . 1 1 56 56 ILE H H 1 8.406 0.000 . . . . . . . . . . 7182 1 564 . 1 1 56 56 ILE CA C 13 61.143 0.000 . . . . . . . . . . 7182 1 565 . 1 1 56 56 ILE HA H 1 4.679 0.000 . . . . . . . . . . 7182 1 566 . 1 1 56 56 ILE CB C 13 38.552 0.000 . . . . . . . . . . 7182 1 567 . 1 1 56 56 ILE HB H 1 1.781 0.000 . . . . . . . . . . 7182 1 568 . 1 1 56 56 ILE HG21 H 1 0.831 0.000 . . . . . . . . . . 7182 1 569 . 1 1 56 56 ILE HG22 H 1 0.831 0.000 . . . . . . . . . . 7182 1 570 . 1 1 56 56 ILE HG23 H 1 0.831 0.000 . . . . . . . . . . 7182 1 571 . 1 1 56 56 ILE CG2 C 13 17.441 0.000 . . . . . . . . . . 7182 1 572 . 1 1 56 56 ILE CG1 C 13 27.669 0.000 . . . . . . . . . . 7182 1 573 . 1 1 56 56 ILE HG12 H 1 1.561 0.000 . . . . . . . . . . 7182 1 574 . 1 1 56 56 ILE HG13 H 1 1.149 0.000 . . . . . . . . . . 7182 1 575 . 1 1 56 56 ILE HD11 H 1 0.821 0.000 . . . . . . . . . . 7182 1 576 . 1 1 56 56 ILE HD12 H 1 0.821 0.000 . . . . . . . . . . 7182 1 577 . 1 1 56 56 ILE HD13 H 1 0.821 0.000 . . . . . . . . . . 7182 1 578 . 1 1 56 56 ILE CD1 C 13 12.974 0.000 . . . . . . . . . . 7182 1 579 . 1 1 56 56 ILE C C 13 172.346 0.000 . . . . . . . . . . 7182 1 580 . 1 1 57 57 LEU N N 15 130.022 0.000 . . . . . . . . . . 7182 1 581 . 1 1 57 57 LEU H H 1 8.966 0.000 . . . . . . . . . . 7182 1 582 . 1 1 57 57 LEU CA C 13 51.545 0.000 . . . . . . . . . . 7182 1 583 . 1 1 57 57 LEU HA H 1 5.126 0.000 . . . . . . . . . . 7182 1 584 . 1 1 57 57 LEU CB C 13 45.385 0.000 . . . . . . . . . . 7182 1 585 . 1 1 57 57 LEU HB2 H 1 2.004 0.000 . . . . . . . . . . 7182 1 586 . 1 1 57 57 LEU HB3 H 1 1.284 0.000 . . . . . . . . . . 7182 1 587 . 1 1 57 57 LEU CG C 13 26.699 0.000 . . . . . . . . . . 7182 1 588 . 1 1 57 57 LEU HG H 1 1.586 0.000 . . . . . . . . . . 7182 1 589 . 1 1 57 57 LEU HD11 H 1 0.949 0.000 . . . . . . . . . . 7182 1 590 . 1 1 57 57 LEU HD12 H 1 0.949 0.000 . . . . . . . . . . 7182 1 591 . 1 1 57 57 LEU HD13 H 1 0.949 0.000 . . . . . . . . . . 7182 1 592 . 1 1 57 57 LEU HD21 H 1 0.902 0.000 . . . . . . . . . . 7182 1 593 . 1 1 57 57 LEU HD22 H 1 0.902 0.000 . . . . . . . . . . 7182 1 594 . 1 1 57 57 LEU HD23 H 1 0.902 0.000 . . . . . . . . . . 7182 1 595 . 1 1 57 57 LEU CD1 C 13 24.976 0.000 . . . . . . . . . . 7182 1 596 . 1 1 57 57 LEU CD2 C 13 25.794 0.000 . . . . . . . . . . 7182 1 597 . 1 1 57 57 LEU C C 13 171.016 0.000 . . . . . . . . . . 7182 1 598 . 1 1 58 58 PRO HD2 H 1 4.061 0.000 . . . . . . . . . . 7182 1 599 . 1 1 58 58 PRO HD3 H 1 3.813 0.000 . . . . . . . . . . 7182 1 600 . 1 1 59 59 LEU N N 15 123.992 0.000 . . . . . . . . . . 7182 1 601 . 1 1 59 59 LEU H H 1 8.375 0.000 . . . . . . . . . . 7182 1 602 . 1 1 59 59 LEU CA C 13 53.972 0.000 . . . . . . . . . . 7182 1 603 . 1 1 59 59 LEU HA H 1 4.480 0.000 . . . . . . . . . . 7182 1 604 . 1 1 59 59 LEU CB C 13 41.305 0.000 . . . . . . . . . . 7182 1 605 . 1 1 59 59 LEU HB2 H 1 1.466 0.000 . . . . . . . . . . 7182 1 606 . 1 1 59 59 LEU HB3 H 1 1.790 0.000 . . . . . . . . . . 7182 1 607 . 1 1 59 59 LEU CG C 13 26.215 0.000 . . . . . . . . . . 7182 1 608 . 1 1 59 59 LEU HG H 1 1.136 0.000 . . . . . . . . . . 7182 1 609 . 1 1 59 59 LEU HD11 H 1 0.821 0.000 . . . . . . . . . . 7182 1 610 . 1 1 59 59 LEU HD12 H 1 0.821 0.000 . . . . . . . . . . 7182 1 611 . 1 1 59 59 LEU HD13 H 1 0.821 0.000 . . . . . . . . . . 7182 1 612 . 1 1 59 59 LEU HD21 H 1 0.736 0.000 . . . . . . . . . . 7182 1 613 . 1 1 59 59 LEU HD22 H 1 0.736 0.000 . . . . . . . . . . 7182 1 614 . 1 1 59 59 LEU HD23 H 1 0.736 0.000 . . . . . . . . . . 7182 1 615 . 1 1 59 59 LEU CD1 C 13 23.578 0.000 . . . . . . . . . . 7182 1 616 . 1 1 59 59 LEU CD2 C 13 23.138 0.000 . . . . . . . . . . 7182 1 617 . 1 1 59 59 LEU C C 13 173.462 0.000 . . . . . . . . . . 7182 1 618 . 1 1 60 60 ASP N N 15 118.816 0.000 . . . . . . . . . . 7182 1 619 . 1 1 60 60 ASP H H 1 7.762 0.000 . . . . . . . . . . 7182 1 620 . 1 1 60 60 ASP CA C 13 53.450 0.000 . . . . . . . . . . 7182 1 621 . 1 1 60 60 ASP HA H 1 4.583 0.000 . . . . . . . . . . 7182 1 622 . 1 1 60 60 ASP CB C 13 41.138 0.000 . . . . . . . . . . 7182 1 623 . 1 1 60 60 ASP HB2 H 1 2.624 0.000 . . . . . . . . . . 7182 1 624 . 1 1 60 60 ASP HB3 H 1 2.928 0.000 . . . . . . . . . . 7182 1 625 . 1 1 60 60 ASP C C 13 174.276 0.000 . . . . . . . . . . 7182 1 626 . 1 1 61 61 GLY N N 15 109.472 0.000 . . . . . . . . . . 7182 1 627 . 1 1 61 61 GLY H H 1 8.421 0.000 . . . . . . . . . . 7182 1 628 . 1 1 61 61 GLY CA C 13 45.231 0.000 . . . . . . . . . . 7182 1 629 . 1 1 61 61 GLY HA2 H 1 3.773 0.000 . . . . . . . . . . 7182 1 630 . 1 1 61 61 GLY HA3 H 1 4.150 0.000 . . . . . . . . . . 7182 1 631 . 1 1 61 61 GLY C C 13 171.416 0.000 . . . . . . . . . . 7182 1 632 . 1 1 62 62 ARG N N 15 120.506 0.000 . . . . . . . . . . 7182 1 633 . 1 1 62 62 ARG H H 1 8.193 0.000 . . . . . . . . . . 7182 1 634 . 1 1 62 62 ARG CA C 13 57.258 0.000 . . . . . . . . . . 7182 1 635 . 1 1 62 62 ARG CB C 13 29.737 0.000 . . . . . . . . . . 7182 1 636 . 1 1 62 62 ARG CG C 13 26.631 0.000 . . . . . . . . . . 7182 1 637 . 1 1 62 62 ARG CD C 13 42.581 0.000 . . . . . . . . . . 7182 1 638 . 1 1 62 62 ARG C C 13 172.904 0.000 . . . . . . . . . . 7182 1 639 . 1 1 64 64 LYS CA C 13 53.450 0.000 . . . . . . . . . . 7182 1 640 . 1 1 64 64 LYS HA H 1 4.480 0.000 . . . . . . . . . . 7182 1 641 . 1 1 64 64 LYS CB C 13 33.536 0.000 . . . . . . . . . . 7182 1 642 . 1 1 64 64 LYS HB2 H 1 1.810 0.000 . . . . . . . . . . 7182 1 643 . 1 1 64 64 LYS CG C 13 24.566 0.000 . . . . . . . . . . 7182 1 644 . 1 1 64 64 LYS CD C 13 29.024 0.000 . . . . . . . . . . 7182 1 645 . 1 1 64 64 LYS CE C 13 42.154 0.000 . . . . . . . . . . 7182 1 646 . 1 1 64 64 LYS HE2 H 1 3.034 0.000 . . . . . . . . . . 7182 1 647 . 1 1 65 65 LEU N N 15 124.033 0.000 . . . . . . . . . . 7182 1 648 . 1 1 65 65 LEU H H 1 8.452 0.000 . . . . . . . . . . 7182 1 649 . 1 1 65 65 LEU CA C 13 54.206 0.000 . . . . . . . . . . 7182 1 650 . 1 1 65 65 LEU HA H 1 4.533 0.000 . . . . . . . . . . 7182 1 651 . 1 1 65 65 LEU CB C 13 43.034 0.000 . . . . . . . . . . 7182 1 652 . 1 1 65 65 LEU HB2 H 1 1.563 0.000 . . . . . . . . . . 7182 1 653 . 1 1 65 65 LEU HB3 H 1 1.559 0.000 . . . . . . . . . . 7182 1 654 . 1 1 65 65 LEU CG C 13 27.171 0.000 . . . . . . . . . . 7182 1 655 . 1 1 65 65 LEU HD11 H 1 0.867 0.000 . . . . . . . . . . 7182 1 656 . 1 1 65 65 LEU HD12 H 1 0.867 0.000 . . . . . . . . . . 7182 1 657 . 1 1 65 65 LEU HD13 H 1 0.867 0.000 . . . . . . . . . . 7182 1 658 . 1 1 65 65 LEU HD21 H 1 0.937 0.000 . . . . . . . . . . 7182 1 659 . 1 1 65 65 LEU HD22 H 1 0.937 0.000 . . . . . . . . . . 7182 1 660 . 1 1 65 65 LEU HD23 H 1 0.937 0.000 . . . . . . . . . . 7182 1 661 . 1 1 65 65 LEU CD1 C 13 23.589 0.000 . . . . . . . . . . 7182 1 662 . 1 1 65 65 LEU CD2 C 13 25.802 0.000 . . . . . . . . . . 7182 1 663 . 1 1 66 66 VAL N N 15 119.477 0.000 . . . . . . . . . . 7182 1 664 . 1 1 66 66 VAL H H 1 8.166 0.000 . . . . . . . . . . 7182 1 665 . 1 1 66 66 VAL CA C 13 62.659 0.000 . . . . . . . . . . 7182 1 666 . 1 1 66 66 VAL HA H 1 4.063 0.000 . . . . . . . . . . 7182 1 667 . 1 1 66 66 VAL CB C 13 32.271 0.000 . . . . . . . . . . 7182 1 668 . 1 1 66 66 VAL HB H 1 2.073 0.000 . . . . . . . . . . 7182 1 669 . 1 1 66 66 VAL HG11 H 1 0.922 0.000 . . . . . . . . . . 7182 1 670 . 1 1 66 66 VAL HG12 H 1 0.922 0.000 . . . . . . . . . . 7182 1 671 . 1 1 66 66 VAL HG13 H 1 0.922 0.000 . . . . . . . . . . 7182 1 672 . 1 1 66 66 VAL HG21 H 1 0.916 0.000 . . . . . . . . . . 7182 1 673 . 1 1 66 66 VAL HG22 H 1 0.916 0.000 . . . . . . . . . . 7182 1 674 . 1 1 66 66 VAL HG23 H 1 0.916 0.000 . . . . . . . . . . 7182 1 675 . 1 1 66 66 VAL CG1 C 13 20.750 0.000 . . . . . . . . . . 7182 1 676 . 1 1 66 66 VAL CG2 C 13 20.719 0.000 . . . . . . . . . . 7182 1 677 . 1 1 66 66 VAL C C 13 173.927 0.000 . . . . . . . . . . 7182 1 678 . 1 1 67 67 ASN N N 15 120.190 0.000 . . . . . . . . . . 7182 1 679 . 1 1 67 67 ASN H H 1 8.640 0.000 . . . . . . . . . . 7182 1 680 . 1 1 67 67 ASN CA C 13 53.512 0.000 . . . . . . . . . . 7182 1 681 . 1 1 67 67 ASN HA H 1 4.624 0.000 . . . . . . . . . . 7182 1 682 . 1 1 67 67 ASN CB C 13 37.868 0.000 . . . . . . . . . . 7182 1 683 . 1 1 67 67 ASN HB2 H 1 2.830 0.000 . . . . . . . . . . 7182 1 684 . 1 1 67 67 ASN HB3 H 1 3.005 0.000 . . . . . . . . . . 7182 1 685 . 1 1 67 67 ASN C C 13 171.911 0.000 . . . . . . . . . . 7182 1 686 . 1 1 68 68 ALA N N 15 120.712 0.000 . . . . . . . . . . 7182 1 687 . 1 1 68 68 ALA H H 1 7.444 0.000 . . . . . . . . . . 7182 1 688 . 1 1 68 68 ALA CA C 13 51.514 0.000 . . . . . . . . . . 7182 1 689 . 1 1 68 68 ALA HA H 1 4.430 0.000 . . . . . . . . . . 7182 1 690 . 1 1 68 68 ALA HB1 H 1 1.166 0.000 . . . . . . . . . . 7182 1 691 . 1 1 68 68 ALA HB2 H 1 1.166 0.000 . . . . . . . . . . 7182 1 692 . 1 1 68 68 ALA HB3 H 1 1.166 0.000 . . . . . . . . . . 7182 1 693 . 1 1 68 68 ALA CB C 13 21.202 0.000 . . . . . . . . . . 7182 1 694 . 1 1 68 68 ALA C C 13 173.369 0.000 . . . . . . . . . . 7182 1 695 . 1 1 69 69 ASP N N 15 120.959 0.000 . . . . . . . . . . 7182 1 696 . 1 1 69 69 ASP H H 1 8.430 0.000 . . . . . . . . . . 7182 1 697 . 1 1 69 69 ASP CA C 13 52.819 0.000 . . . . . . . . . . 7182 1 698 . 1 1 69 69 ASP HA H 1 4.720 0.000 . . . . . . . . . . 7182 1 699 . 1 1 69 69 ASP CB C 13 41.564 0.000 . . . . . . . . . . 7182 1 700 . 1 1 69 69 ASP HB2 H 1 2.578 0.000 . . . . . . . . . . 7182 1 701 . 1 1 69 69 ASP HB3 H 1 2.812 0.000 . . . . . . . . . . 7182 1 702 . 1 1 69 69 ASP C C 13 174.113 0.000 . . . . . . . . . . 7182 1 703 . 1 1 70 70 ILE N N 15 126.756 0.000 . . . . . . . . . . 7182 1 704 . 1 1 70 70 ILE H H 1 8.617 0.000 . . . . . . . . . . 7182 1 705 . 1 1 70 70 ILE CA C 13 63.614 0.000 . . . . . . . . . . 7182 1 706 . 1 1 70 70 ILE HA H 1 3.631 0.000 . . . . . . . . . . 7182 1 707 . 1 1 70 70 ILE CB C 13 37.972 0.000 . . . . . . . . . . 7182 1 708 . 1 1 70 70 ILE HB H 1 1.912 0.000 . . . . . . . . . . 7182 1 709 . 1 1 70 70 ILE HG21 H 1 0.967 0.000 . . . . . . . . . . 7182 1 710 . 1 1 70 70 ILE HG22 H 1 0.967 0.000 . . . . . . . . . . 7182 1 711 . 1 1 70 70 ILE HG23 H 1 0.967 0.000 . . . . . . . . . . 7182 1 712 . 1 1 70 70 ILE CG2 C 13 17.532 0.000 . . . . . . . . . . 7182 1 713 . 1 1 70 70 ILE CG1 C 13 28.423 0.000 . . . . . . . . . . 7182 1 714 . 1 1 70 70 ILE HG12 H 1 1.346 0.000 . . . . . . . . . . 7182 1 715 . 1 1 70 70 ILE HG13 H 1 1.396 0.000 . . . . . . . . . . 7182 1 716 . 1 1 70 70 ILE HD11 H 1 0.848 0.000 . . . . . . . . . . 7182 1 717 . 1 1 70 70 ILE HD12 H 1 0.848 0.000 . . . . . . . . . . 7182 1 718 . 1 1 70 70 ILE HD13 H 1 0.848 0.000 . . . . . . . . . . 7182 1 719 . 1 1 70 70 ILE CD1 C 13 12.948 0.000 . . . . . . . . . . 7182 1 720 . 1 1 70 70 ILE C C 13 173.648 0.000 . . . . . . . . . . 7182 1 721 . 1 1 71 71 GLU N N 15 120.632 0.000 . . . . . . . . . . 7182 1 722 . 1 1 71 71 GLU H H 1 8.270 0.000 . . . . . . . . . . 7182 1 723 . 1 1 71 71 GLU CA C 13 58.981 0.000 . . . . . . . . . . 7182 1 724 . 1 1 71 71 GLU HA H 1 4.062 0.000 . . . . . . . . . . 7182 1 725 . 1 1 71 71 GLU CB C 13 28.328 0.000 . . . . . . . . . . 7182 1 726 . 1 1 71 71 GLU HB2 H 1 2.071 0.000 . . . . . . . . . . 7182 1 727 . 1 1 71 71 GLU CG C 13 36.199 0.000 . . . . . . . . . . 7182 1 728 . 1 1 71 71 GLU HG2 H 1 2.336 0.000 . . . . . . . . . . 7182 1 729 . 1 1 71 71 GLU C C 13 177.136 0.000 . . . . . . . . . . 7182 1 730 . 1 1 72 72 LYS N N 15 120.937 0.000 . . . . . . . . . . 7182 1 731 . 1 1 72 72 LYS H H 1 7.379 0.000 . . . . . . . . . . 7182 1 732 . 1 1 72 72 LYS CA C 13 58.427 0.000 . . . . . . . . . . 7182 1 733 . 1 1 72 72 LYS HA H 1 4.044 0.000 . . . . . . . . . . 7182 1 734 . 1 1 72 72 LYS CB C 13 31.721 0.000 . . . . . . . . . . 7182 1 735 . 1 1 72 72 LYS HB2 H 1 1.926 0.000 . . . . . . . . . . 7182 1 736 . 1 1 72 72 LYS HB3 H 1 1.860 0.000 . . . . . . . . . . 7182 1 737 . 1 1 72 72 LYS CG C 13 25.305 0.000 . . . . . . . . . . 7182 1 738 . 1 1 72 72 LYS HG2 H 1 1.815 0.000 . . . . . . . . . . 7182 1 739 . 1 1 72 72 LYS CD C 13 28.723 0.000 . . . . . . . . . . 7182 1 740 . 1 1 72 72 LYS HD2 H 1 1.889 0.000 . . . . . . . . . . 7182 1 741 . 1 1 72 72 LYS CE C 13 42.052 0.000 . . . . . . . . . . 7182 1 742 . 1 1 72 72 LYS HE2 H 1 3.080 0.000 . . . . . . . . . . 7182 1 743 . 1 1 72 72 LYS C C 13 176.647 0.000 . . . . . . . . . . 7182 1 744 . 1 1 73 73 VAL N N 15 121.288 0.000 . . . . . . . . . . 7182 1 745 . 1 1 73 73 VAL H H 1 7.691 0.000 . . . . . . . . . . 7182 1 746 . 1 1 73 73 VAL CA C 13 66.238 0.000 . . . . . . . . . . 7182 1 747 . 1 1 73 73 VAL HA H 1 2.679 0.000 . . . . . . . . . . 7182 1 748 . 1 1 73 73 VAL CB C 13 31.029 0.000 . . . . . . . . . . 7182 1 749 . 1 1 73 73 VAL HB H 1 1.748 0.000 . . . . . . . . . . 7182 1 750 . 1 1 73 73 VAL HG11 H 1 0.468 0.000 . . . . . . . . . . 7182 1 751 . 1 1 73 73 VAL HG12 H 1 0.468 0.000 . . . . . . . . . . 7182 1 752 . 1 1 73 73 VAL HG13 H 1 0.468 0.000 . . . . . . . . . . 7182 1 753 . 1 1 73 73 VAL CG1 C 13 21.420 0.000 . . . . . . . . . . 7182 1 754 . 1 1 73 73 VAL CG2 C 13 21.139 0.000 . . . . . . . . . . 7182 1 755 . 1 1 73 73 VAL C C 13 174.648 0.000 . . . . . . . . . . 7182 1 756 . 1 1 73 73 VAL HG21 H 1 -0.084 0.000 . . . . . . . . . . 7182 1 757 . 1 1 73 73 VAL HG22 H 1 -0.084 0.000 . . . . . . . . . . 7182 1 758 . 1 1 73 73 VAL HG23 H 1 -0.084 0.000 . . . . . . . . . . 7182 1 759 . 1 1 74 74 LYS N N 15 118.275 0.000 . . . . . . . . . . 7182 1 760 . 1 1 74 74 LYS H H 1 8.324 0.000 . . . . . . . . . . 7182 1 761 . 1 1 74 74 LYS CA C 13 60.481 0.000 . . . . . . . . . . 7182 1 762 . 1 1 74 74 LYS HA H 1 3.717 0.000 . . . . . . . . . . 7182 1 763 . 1 1 74 74 LYS CB C 13 32.420 0.000 . . . . . . . . . . 7182 1 764 . 1 1 74 74 LYS HB2 H 1 1.872 0.000 . . . . . . . . . . 7182 1 765 . 1 1 74 74 LYS HB3 H 1 1.802 0.000 . . . . . . . . . . 7182 1 766 . 1 1 74 74 LYS CG C 13 26.315 0.000 . . . . . . . . . . 7182 1 767 . 1 1 74 74 LYS HG2 H 1 1.429 0.000 . . . . . . . . . . 7182 1 768 . 1 1 74 74 LYS HG3 H 1 1.664 0.000 . . . . . . . . . . 7182 1 769 . 1 1 74 74 LYS CD C 13 29.668 0.000 . . . . . . . . . . 7182 1 770 . 1 1 74 74 LYS HD2 H 1 1.679 0.000 . . . . . . . . . . 7182 1 771 . 1 1 74 74 LYS CE C 13 41.570 0.000 . . . . . . . . . . 7182 1 772 . 1 1 74 74 LYS HE2 H 1 2.896 0.000 . . . . . . . . . . 7182 1 773 . 1 1 74 74 LYS C C 13 176.438 0.000 . . . . . . . . . . 7182 1 774 . 1 1 75 75 GLN N N 15 119.240 0.000 . . . . . . . . . . 7182 1 775 . 1 1 75 75 GLN H H 1 7.702 0.000 . . . . . . . . . . 7182 1 776 . 1 1 75 75 GLN CA C 13 58.823 0.000 . . . . . . . . . . 7182 1 777 . 1 1 75 75 GLN HA H 1 4.003 0.000 . . . . . . . . . . 7182 1 778 . 1 1 75 75 GLN CB C 13 28.014 0.000 . . . . . . . . . . 7182 1 779 . 1 1 75 75 GLN HB2 H 1 2.097 0.000 . . . . . . . . . . 7182 1 780 . 1 1 75 75 GLN CG C 13 33.152 0.000 . . . . . . . . . . 7182 1 781 . 1 1 75 75 GLN HG2 H 1 2.340 0.000 . . . . . . . . . . 7182 1 782 . 1 1 75 75 GLN HG3 H 1 2.482 0.000 . . . . . . . . . . 7182 1 783 . 1 1 75 75 GLN NE2 N 15 112.341 0.000 . . . . . . . . . . 7182 1 784 . 1 1 75 75 GLN HE21 H 1 7.758 0.000 . . . . . . . . . . 7182 1 785 . 1 1 75 75 GLN HE22 H 1 6.780 0.000 . . . . . . . . . . 7182 1 786 . 1 1 75 75 GLN C C 13 174.857 0.000 . . . . . . . . . . 7182 1 787 . 1 1 76 76 ALA N N 15 123.005 0.000 . . . . . . . . . . 7182 1 788 . 1 1 76 76 ALA H H 1 7.932 0.000 . . . . . . . . . . 7182 1 789 . 1 1 76 76 ALA CA C 13 55.091 0.000 . . . . . . . . . . 7182 1 790 . 1 1 76 76 ALA HA H 1 4.274 0.000 . . . . . . . . . . 7182 1 791 . 1 1 76 76 ALA HB1 H 1 1.693 0.000 . . . . . . . . . . 7182 1 792 . 1 1 76 76 ALA HB2 H 1 1.693 0.000 . . . . . . . . . . 7182 1 793 . 1 1 76 76 ALA HB3 H 1 1.693 0.000 . . . . . . . . . . 7182 1 794 . 1 1 76 76 ALA CB C 13 18.969 0.000 . . . . . . . . . . 7182 1 795 . 1 1 76 76 ALA C C 13 177.926 0.000 . . . . . . . . . . 7182 1 796 . 1 1 77 77 LEU N N 15 119.019 0.000 . . . . . . . . . . 7182 1 797 . 1 1 77 77 LEU H H 1 8.664 0.000 . . . . . . . . . . 7182 1 798 . 1 1 77 77 LEU CA C 13 58.778 0.000 . . . . . . . . . . 7182 1 799 . 1 1 77 77 LEU HA H 1 3.626 0.000 . . . . . . . . . . 7182 1 800 . 1 1 77 77 LEU CB C 13 40.881 0.000 . . . . . . . . . . 7182 1 801 . 1 1 77 77 LEU HB2 H 1 1.904 0.000 . . . . . . . . . . 7182 1 802 . 1 1 77 77 LEU HB3 H 1 1.390 0.000 . . . . . . . . . . 7182 1 803 . 1 1 77 77 LEU CG C 13 27.135 0.000 . . . . . . . . . . 7182 1 804 . 1 1 77 77 LEU HG H 1 1.753 0.000 . . . . . . . . . . 7182 1 805 . 1 1 77 77 LEU HD11 H 1 0.767 0.000 . . . . . . . . . . 7182 1 806 . 1 1 77 77 LEU HD12 H 1 0.767 0.000 . . . . . . . . . . 7182 1 807 . 1 1 77 77 LEU HD13 H 1 0.767 0.000 . . . . . . . . . . 7182 1 808 . 1 1 77 77 LEU HD21 H 1 0.610 0.000 . . . . . . . . . . 7182 1 809 . 1 1 77 77 LEU HD22 H 1 0.610 0.000 . . . . . . . . . . 7182 1 810 . 1 1 77 77 LEU HD23 H 1 0.610 0.000 . . . . . . . . . . 7182 1 811 . 1 1 77 77 LEU CD1 C 13 26.010 0.000 . . . . . . . . . . 7182 1 812 . 1 1 77 77 LEU CD2 C 13 22.707 0.000 . . . . . . . . . . 7182 1 813 . 1 1 77 77 LEU C C 13 176.647 0.000 . . . . . . . . . . 7182 1 814 . 1 1 78 78 THR N N 15 114.104 0.000 . . . . . . . . . . 7182 1 815 . 1 1 78 78 THR H H 1 7.790 0.000 . . . . . . . . . . 7182 1 816 . 1 1 78 78 THR CA C 13 66.284 0.000 . . . . . . . . . . 7182 1 817 . 1 1 78 78 THR HA H 1 4.028 0.000 . . . . . . . . . . 7182 1 818 . 1 1 78 78 THR CB C 13 69.123 0.000 . . . . . . . . . . 7182 1 819 . 1 1 78 78 THR HB H 1 4.313 0.000 . . . . . . . . . . 7182 1 820 . 1 1 78 78 THR HG21 H 1 1.289 0.000 . . . . . . . . . . 7182 1 821 . 1 1 78 78 THR HG22 H 1 1.289 0.000 . . . . . . . . . . 7182 1 822 . 1 1 78 78 THR HG23 H 1 1.289 0.000 . . . . . . . . . . 7182 1 823 . 1 1 78 78 THR CG2 C 13 21.213 0.000 . . . . . . . . . . 7182 1 824 . 1 1 78 78 THR C C 13 173.490 0.000 . . . . . . . . . . 7182 1 825 . 1 1 79 79 GLU N N 15 120.690 0.000 . . . . . . . . . . 7182 1 826 . 1 1 79 79 GLU H H 1 8.421 0.000 . . . . . . . . . . 7182 1 827 . 1 1 79 79 GLU CA C 13 59.138 0.000 . . . . . . . . . . 7182 1 828 . 1 1 79 79 GLU HA H 1 4.221 0.000 . . . . . . . . . . 7182 1 829 . 1 1 79 79 GLU CB C 13 30.741 0.000 . . . . . . . . . . 7182 1 830 . 1 1 79 79 GLU HB2 H 1 2.091 0.000 . . . . . . . . . . 7182 1 831 . 1 1 79 79 GLU CG C 13 36.480 0.000 . . . . . . . . . . 7182 1 832 . 1 1 79 79 GLU HG2 H 1 2.509 0.000 . . . . . . . . . . 7182 1 833 . 1 1 79 79 GLU HG3 H 1 2.291 0.000 . . . . . . . . . . 7182 1 834 . 1 1 79 79 GLU C C 13 175.020 0.000 . . . . . . . . . . 7182 1 835 . 1 1 80 80 GLN N N 15 114.906 0.000 . . . . . . . . . . 7182 1 836 . 1 1 80 80 GLN H H 1 8.808 0.000 . . . . . . . . . . 7182 1 837 . 1 1 80 80 GLN CA C 13 55.337 0.000 . . . . . . . . . . 7182 1 838 . 1 1 80 80 GLN HA H 1 4.870 0.000 . . . . . . . . . . 7182 1 839 . 1 1 80 80 GLN CB C 13 30.505 0.000 . . . . . . . . . . 7182 1 840 . 1 1 80 80 GLN HB3 H 1 2.201 0.000 . . . . . . . . . . 7182 1 841 . 1 1 80 80 GLN HB2 H 1 2.159 0.000 . . . . . . . . . . 7182 1 842 . 1 1 80 80 GLN CG C 13 32.938 0.000 . . . . . . . . . . 7182 1 843 . 1 1 80 80 GLN HG2 H 1 2.592 0.000 . . . . . . . . . . 7182 1 844 . 1 1 80 80 GLN NE2 N 15 110.929 0.000 . . . . . . . . . . 7182 1 845 . 1 1 80 80 GLN HE21 H 1 6.931 0.000 . . . . . . . . . . 7182 1 846 . 1 1 80 80 GLN HE22 H 1 6.515 0.000 . . . . . . . . . . 7182 1 847 . 1 1 80 80 GLN C C 13 173.230 0.000 . . . . . . . . . . 7182 1 848 . 1 1 81 81 GLY N N 15 107.739 0.000 . . . . . . . . . . 7182 1 849 . 1 1 81 81 GLY H H 1 7.902 0.000 . . . . . . . . . . 7182 1 850 . 1 1 81 81 GLY CA C 13 45.450 0.000 . . . . . . . . . . 7182 1 851 . 1 1 81 81 GLY HA2 H 1 4.328 0.000 . . . . . . . . . . 7182 1 852 . 1 1 81 81 GLY HA3 H 1 4.114 0.000 . . . . . . . . . . 7182 1 853 . 1 1 81 81 GLY C C 13 170.160 0.000 . . . . . . . . . . 7182 1 854 . 1 1 82 82 TYR N N 15 114.689 0.000 . . . . . . . . . . 7182 1 855 . 1 1 82 82 TYR H H 1 7.251 0.000 . . . . . . . . . . 7182 1 856 . 1 1 82 82 TYR CA C 13 56.225 0.000 . . . . . . . . . . 7182 1 857 . 1 1 82 82 TYR HA H 1 5.655 0.000 . . . . . . . . . . 7182 1 858 . 1 1 82 82 TYR CB C 13 40.412 0.000 . . . . . . . . . . 7182 1 859 . 1 1 82 82 TYR HB2 H 1 3.274 0.000 . . . . . . . . . . 7182 1 860 . 1 1 82 82 TYR HB3 H 1 2.893 0.000 . . . . . . . . . . 7182 1 861 . 1 1 82 82 TYR HD2 H 1 6.707 0.000 . . . . . . . . . . 7182 1 862 . 1 1 82 82 TYR HE1 H 1 6.724 0.000 . . . . . . . . . . 7182 1 863 . 1 1 82 82 TYR CD1 C 13 133.202 0.000 . . . . . . . . . . 7182 1 864 . 1 1 82 82 TYR CE1 C 13 118.106 0.000 . . . . . . . . . . 7182 1 865 . 1 1 82 82 TYR CE2 C 13 118.106 0.000 . . . . . . . . . . 7182 1 866 . 1 1 82 82 TYR CD2 C 13 133.202 0.000 . . . . . . . . . . 7182 1 867 . 1 1 82 82 TYR C C 13 169.393 0.000 . . . . . . . . . . 7182 1 868 . 1 1 83 83 TYR N N 15 120.183 0.000 . . . . . . . . . . 7182 1 869 . 1 1 83 83 TYR H H 1 8.959 0.000 . . . . . . . . . . 7182 1 870 . 1 1 83 83 TYR CA C 13 57.469 0.000 . . . . . . . . . . 7182 1 871 . 1 1 83 83 TYR HA H 1 4.474 0.000 . . . . . . . . . . 7182 1 872 . 1 1 83 83 TYR CB C 13 42.105 0.000 . . . . . . . . . . 7182 1 873 . 1 1 83 83 TYR HB2 H 1 2.780 0.000 . . . . . . . . . . 7182 1 874 . 1 1 83 83 TYR HB3 H 1 2.568 0.000 . . . . . . . . . . 7182 1 875 . 1 1 83 83 TYR HD2 H 1 6.577 0.000 . . . . . . . . . . 7182 1 876 . 1 1 83 83 TYR HE1 H 1 6.594 0.000 . . . . . . . . . . 7182 1 877 . 1 1 83 83 TYR CD1 C 13 133.491 0.000 . . . . . . . . . . 7182 1 878 . 1 1 83 83 TYR CE1 C 13 118.141 0.000 . . . . . . . . . . 7182 1 879 . 1 1 83 83 TYR CE2 C 13 118.141 0.000 . . . . . . . . . . 7182 1 880 . 1 1 83 83 TYR CD2 C 13 133.491 0.000 . . . . . . . . . . 7182 1 881 . 1 1 83 83 TYR C C 13 169.858 0.000 . . . . . . . . . . 7182 1 882 . 1 1 84 84 LEU N N 15 132.338 0.000 . . . . . . . . . . 7182 1 883 . 1 1 84 84 LEU H H 1 8.306 0.000 . . . . . . . . . . 7182 1 884 . 1 1 84 84 LEU CA C 13 53.361 0.000 . . . . . . . . . . 7182 1 885 . 1 1 84 84 LEU HA H 1 5.218 0.000 . . . . . . . . . . 7182 1 886 . 1 1 84 84 LEU CB C 13 44.387 0.000 . . . . . . . . . . 7182 1 887 . 1 1 84 84 LEU HB2 H 1 1.974 0.000 . . . . . . . . . . 7182 1 888 . 1 1 84 84 LEU HB3 H 1 1.197 0.000 . . . . . . . . . . 7182 1 889 . 1 1 84 84 LEU CG C 13 27.659 0.000 . . . . . . . . . . 7182 1 890 . 1 1 84 84 LEU HG H 1 1.441 0.000 . . . . . . . . . . 7182 1 891 . 1 1 84 84 LEU HD11 H 1 1.013 0.000 . . . . . . . . . . 7182 1 892 . 1 1 84 84 LEU HD12 H 1 1.013 0.000 . . . . . . . . . . 7182 1 893 . 1 1 84 84 LEU HD13 H 1 1.013 0.000 . . . . . . . . . . 7182 1 894 . 1 1 84 84 LEU HD21 H 1 1.006 0.000 . . . . . . . . . . 7182 1 895 . 1 1 84 84 LEU HD22 H 1 1.006 0.000 . . . . . . . . . . 7182 1 896 . 1 1 84 84 LEU HD23 H 1 1.006 0.000 . . . . . . . . . . 7182 1 897 . 1 1 84 84 LEU CD1 C 13 23.698 0.000 . . . . . . . . . . 7182 1 898 . 1 1 84 84 LEU CD2 C 13 26.463 0.000 . . . . . . . . . . 7182 1 899 . 1 1 84 84 LEU C C 13 170.184 0.000 . . . . . . . . . . 7182 1 900 . 1 1 85 85 GLN N N 15 129.790 0.000 . . . . . . . . . . 7182 1 901 . 1 1 85 85 GLN H H 1 9.574 0.000 . . . . . . . . . . 7182 1 902 . 1 1 85 85 GLN CA C 13 54.312 0.000 . . . . . . . . . . 7182 1 903 . 1 1 85 85 GLN HA H 1 4.570 0.000 . . . . . . . . . . 7182 1 904 . 1 1 85 85 GLN CB C 13 31.678 0.000 . . . . . . . . . . 7182 1 905 . 1 1 85 85 GLN HB2 H 1 2.302 0.000 . . . . . . . . . . 7182 1 906 . 1 1 85 85 GLN HG2 H 1 2.610 0.000 . . . . . . . . . . 7182 1 907 . 1 1 85 85 GLN NE2 N 15 113.452 0.000 . . . . . . . . . . 7182 1 908 . 1 1 85 85 GLN HE21 H 1 7.951 0.000 . . . . . . . . . . 7182 1 909 . 1 1 85 85 GLN HE22 H 1 6.848 0.000 . . . . . . . . . . 7182 1 910 . 1 1 86 86 LEU N N 15 128.429 0.000 . . . . . . . . . . 7182 1 911 . 1 1 86 86 LEU H H 1 8.353 0.000 . . . . . . . . . . 7182 1 912 . 1 1 86 86 LEU CA C 13 53.014 0.000 . . . . . . . . . . 7182 1 913 . 1 1 86 86 LEU HA H 1 4.896 0.000 . . . . . . . . . . 7182 1 914 . 1 1 86 86 LEU CB C 13 41.495 0.000 . . . . . . . . . . 7182 1 915 . 1 1 86 86 LEU HB2 H 1 1.712 0.000 . . . . . . . . . . 7182 1 916 . 1 1 86 86 LEU CG C 13 28.889 0.000 . . . . . . . . . . 7182 1 917 . 1 1 86 86 LEU HG H 1 1.715 0.000 . . . . . . . . . . 7182 1 918 . 1 1 86 86 LEU HD11 H 1 0.981 0.000 . . . . . . . . . . 7182 1 919 . 1 1 86 86 LEU HD12 H 1 0.981 0.000 . . . . . . . . . . 7182 1 920 . 1 1 86 86 LEU HD13 H 1 0.981 0.000 . . . . . . . . . . 7182 1 921 . 1 1 86 86 LEU HD21 H 1 1.028 0.000 . . . . . . . . . . 7182 1 922 . 1 1 86 86 LEU HD22 H 1 1.028 0.000 . . . . . . . . . . 7182 1 923 . 1 1 86 86 LEU HD23 H 1 1.028 0.000 . . . . . . . . . . 7182 1 924 . 1 1 86 86 LEU CD1 C 13 23.259 0.000 . . . . . . . . . . 7182 1 925 . 1 1 86 86 LEU CD2 C 13 25.175 0.000 . . . . . . . . . . 7182 1 926 . 1 1 90 90 PRO CD C 13 50.817 0.000 . . . . . . . . . . 7182 1 927 . 1 1 90 90 PRO CA C 13 63.455 0.000 . . . . . . . . . . 7182 1 928 . 1 1 90 90 PRO HA H 1 4.446 0.000 . . . . . . . . . . 7182 1 929 . 1 1 90 90 PRO CB C 13 31.924 0.000 . . . . . . . . . . 7182 1 930 . 1 1 90 90 PRO HB2 H 1 2.329 0.000 . . . . . . . . . . 7182 1 931 . 1 1 90 90 PRO HB3 H 1 1.951 0.000 . . . . . . . . . . 7182 1 932 . 1 1 90 90 PRO CG C 13 27.439 0.000 . . . . . . . . . . 7182 1 933 . 1 1 90 90 PRO HG2 H 1 2.063 0.000 . . . . . . . . . . 7182 1 934 . 1 1 90 90 PRO HD2 H 1 3.740 0.000 . . . . . . . . . . 7182 1 935 . 1 1 90 90 PRO HD3 H 1 3.879 0.000 . . . . . . . . . . 7182 1 936 . 1 1 90 90 PRO C C 13 174.986 0.000 . . . . . . . . . . 7182 1 937 . 1 1 91 91 GLU N N 15 120.554 0.000 . . . . . . . . . . 7182 1 938 . 1 1 91 91 GLU H H 1 8.777 0.000 . . . . . . . . . . 7182 1 939 . 1 1 91 91 GLU CA C 13 57.727 0.000 . . . . . . . . . . 7182 1 940 . 1 1 91 91 GLU HA H 1 4.219 0.000 . . . . . . . . . . 7182 1 941 . 1 1 91 91 GLU CB C 13 29.688 0.000 . . . . . . . . . . 7182 1 942 . 1 1 91 91 GLU HB2 H 1 2.056 0.000 . . . . . . . . . . 7182 1 943 . 1 1 91 91 GLU HB3 H 1 2.021 0.000 . . . . . . . . . . 7182 1 944 . 1 1 91 91 GLU HG2 H 1 2.343 0.000 . . . . . . . . . . 7182 1 945 . 1 1 91 91 GLU C C 13 174.183 0.000 . . . . . . . . . . 7182 1 946 . 1 1 92 92 ASP N N 15 121.461 0.000 . . . . . . . . . . 7182 1 947 . 1 1 92 92 ASP H H 1 8.263 0.000 . . . . . . . . . . 7182 1 948 . 1 1 92 92 ASP CA C 13 54.576 0.000 . . . . . . . . . . 7182 1 949 . 1 1 92 92 ASP HA H 1 4.608 0.000 . . . . . . . . . . 7182 1 950 . 1 1 92 92 ASP CB C 13 40.895 0.000 . . . . . . . . . . 7182 1 951 . 1 1 92 92 ASP HB2 H 1 2.767 0.000 . . . . . . . . . . 7182 1 952 . 1 1 92 92 ASP HB3 H 1 2.686 0.000 . . . . . . . . . . 7182 1 953 . 1 1 92 92 ASP C C 13 174.369 0.000 . . . . . . . . . . 7182 1 954 . 1 1 93 93 LEU N N 15 122.919 0.000 . . . . . . . . . . 7182 1 955 . 1 1 93 93 LEU H H 1 8.037 0.000 . . . . . . . . . . 7182 1 956 . 1 1 93 93 LEU CA C 13 56.129 0.000 . . . . . . . . . . 7182 1 957 . 1 1 93 93 LEU HA H 1 4.263 0.000 . . . . . . . . . . 7182 1 958 . 1 1 93 93 LEU CB C 13 41.999 0.000 . . . . . . . . . . 7182 1 959 . 1 1 93 93 LEU HB2 H 1 1.705 0.000 . . . . . . . . . . 7182 1 960 . 1 1 93 93 LEU CG C 13 26.917 0.000 . . . . . . . . . . 7182 1 961 . 1 1 93 93 LEU HG H 1 1.693 0.000 . . . . . . . . . . 7182 1 962 . 1 1 93 93 LEU HD11 H 1 0.966 0.000 . . . . . . . . . . 7182 1 963 . 1 1 93 93 LEU HD12 H 1 0.966 0.000 . . . . . . . . . . 7182 1 964 . 1 1 93 93 LEU HD13 H 1 0.966 0.000 . . . . . . . . . . 7182 1 965 . 1 1 93 93 LEU HD21 H 1 0.905 0.000 . . . . . . . . . . 7182 1 966 . 1 1 93 93 LEU HD22 H 1 0.905 0.000 . . . . . . . . . . 7182 1 967 . 1 1 93 93 LEU HD23 H 1 0.905 0.000 . . . . . . . . . . 7182 1 968 . 1 1 93 93 LEU CD1 C 13 24.699 0.000 . . . . . . . . . . 7182 1 969 . 1 1 93 93 LEU CD2 C 13 23.459 0.000 . . . . . . . . . . 7182 1 970 . 1 1 93 93 LEU C C 13 175.508 0.000 . . . . . . . . . . 7182 1 971 . 1 1 94 94 LEU N N 15 120.792 0.000 . . . . . . . . . . 7182 1 972 . 1 1 94 94 LEU H H 1 8.063 0.000 . . . . . . . . . . 7182 1 973 . 1 1 94 94 LEU CA C 13 55.890 0.000 . . . . . . . . . . 7182 1 974 . 1 1 94 94 LEU HA H 1 4.313 0.000 . . . . . . . . . . 7182 1 975 . 1 1 94 94 LEU CB C 13 41.860 0.000 . . . . . . . . . . 7182 1 976 . 1 1 94 94 LEU HB2 H 1 1.759 0.000 . . . . . . . . . . 7182 1 977 . 1 1 94 94 LEU HB3 H 1 1.771 0.000 . . . . . . . . . . 7182 1 978 . 1 1 94 94 LEU CG C 13 26.908 0.000 . . . . . . . . . . 7182 1 979 . 1 1 94 94 LEU HG H 1 1.693 0.000 . . . . . . . . . . 7182 1 980 . 1 1 94 94 LEU HD11 H 1 0.914 0.000 . . . . . . . . . . 7182 1 981 . 1 1 94 94 LEU HD12 H 1 0.914 0.000 . . . . . . . . . . 7182 1 982 . 1 1 94 94 LEU HD13 H 1 0.914 0.000 . . . . . . . . . . 7182 1 983 . 1 1 94 94 LEU HD21 H 1 0.974 0.000 . . . . . . . . . . 7182 1 984 . 1 1 94 94 LEU HD22 H 1 0.974 0.000 . . . . . . . . . . 7182 1 985 . 1 1 94 94 LEU HD23 H 1 0.974 0.000 . . . . . . . . . . 7182 1 986 . 1 1 94 94 LEU CD1 C 13 24.821 0.000 . . . . . . . . . . 7182 1 987 . 1 1 94 94 LEU CD2 C 13 23.397 0.000 . . . . . . . . . . 7182 1 988 . 1 1 94 94 LEU C C 13 175.299 0.000 . . . . . . . . . . 7182 1 989 . 1 1 95 95 LYS N N 15 120.392 0.000 . . . . . . . . . . 7182 1 990 . 1 1 95 95 LYS H H 1 7.916 0.000 . . . . . . . . . . 7182 1 991 . 1 1 95 95 LYS CA C 13 57.067 0.000 . . . . . . . . . . 7182 1 992 . 1 1 95 95 LYS HA H 1 4.235 0.000 . . . . . . . . . . 7182 1 993 . 1 1 95 95 LYS CB C 13 32.536 0.000 . . . . . . . . . . 7182 1 994 . 1 1 95 95 LYS HB2 H 1 1.734 0.000 . . . . . . . . . . 7182 1 995 . 1 1 95 95 LYS HB3 H 1 1.853 0.000 . . . . . . . . . . 7182 1 996 . 1 1 95 95 LYS CG C 13 24.821 0.000 . . . . . . . . . . 7182 1 997 . 1 1 95 95 LYS HG2 H 1 1.470 0.000 . . . . . . . . . . 7182 1 998 . 1 1 95 95 LYS CD C 13 32.582 0.000 . . . . . . . . . . 7182 1 999 . 1 1 95 95 LYS HD2 H 1 1.499 0.000 . . . . . . . . . . 7182 1 1000 . 1 1 95 95 LYS CE C 13 42.052 0.000 . . . . . . . . . . 7182 1 1001 . 1 1 95 95 LYS HE2 H 1 3.052 0.000 . . . . . . . . . . 7182 1 1002 . 1 1 95 95 LYS C C 13 174.392 0.000 . . . . . . . . . . 7182 1 1003 . 1 1 96 96 GLN N N 15 120.254 0.000 . . . . . . . . . . 7182 1 1004 . 1 1 96 96 GLN H H 1 8.149 0.000 . . . . . . . . . . 7182 1 1005 . 1 1 96 96 GLN CA C 13 56.299 0.000 . . . . . . . . . . 7182 1 1006 . 1 1 96 96 GLN HA H 1 4.279 0.000 . . . . . . . . . . 7182 1 1007 . 1 1 96 96 GLN CB C 13 29.131 0.000 . . . . . . . . . . 7182 1 1008 . 1 1 96 96 GLN HB2 H 1 2.087 0.000 . . . . . . . . . . 7182 1 1009 . 1 1 96 96 GLN HB3 H 1 2.037 0.000 . . . . . . . . . . 7182 1 1010 . 1 1 96 96 GLN HG2 H 1 2.373 0.000 . . . . . . . . . . 7182 1 1011 . 1 1 96 96 GLN C C 13 173.741 0.000 . . . . . . . . . . 7182 1 1012 . 1 1 97 97 HIS CA C 13 56.356 0.000 . . . . . . . . . . 7182 1 1013 . 1 1 97 97 HIS CB C 13 30.086 0.000 . . . . . . . . . . 7182 1 1014 . 1 1 97 97 HIS CD2 C 13 120.412 0.000 . . . . . . . . . . 7182 1 1015 . 1 1 97 97 HIS C C 13 172.672 0.000 . . . . . . . . . . 7182 1 1016 . 1 1 98 98 LEU N N 15 122.930 0.000 . . . . . . . . . . 7182 1 1017 . 1 1 98 98 LEU H H 1 8.136 0.000 . . . . . . . . . . 7182 1 1018 . 1 1 98 98 LEU CA C 13 55.337 0.000 . . . . . . . . . . 7182 1 1019 . 1 1 98 98 LEU HA H 1 4.367 0.000 . . . . . . . . . . 7182 1 1020 . 1 1 98 98 LEU CB C 13 42.053 0.000 . . . . . . . . . . 7182 1 1021 . 1 1 98 98 LEU HB2 H 1 1.705 0.000 . . . . . . . . . . 7182 1 1022 . 1 1 98 98 LEU HB3 H 1 1.602 0.000 . . . . . . . . . . 7182 1 1023 . 1 1 98 98 LEU CG C 13 28.993 0.000 . . . . . . . . . . 7182 1 1024 . 1 1 98 98 LEU HG H 1 1.482 0.000 . . . . . . . . . . 7182 1 1025 . 1 1 98 98 LEU HD11 H 1 0.945 0.000 . . . . . . . . . . 7182 1 1026 . 1 1 98 98 LEU HD12 H 1 0.945 0.000 . . . . . . . . . . 7182 1 1027 . 1 1 98 98 LEU HD13 H 1 0.945 0.000 . . . . . . . . . . 7182 1 1028 . 1 1 98 98 LEU HD21 H 1 0.891 0.000 . . . . . . . . . . 7182 1 1029 . 1 1 98 98 LEU HD22 H 1 0.891 0.000 . . . . . . . . . . 7182 1 1030 . 1 1 98 98 LEU HD23 H 1 0.891 0.000 . . . . . . . . . . 7182 1 1031 . 1 1 98 98 LEU CD1 C 13 23.244 0.000 . . . . . . . . . . 7182 1 1032 . 1 1 98 98 LEU CD2 C 13 24.959 0.000 . . . . . . . . . . 7182 1 1033 . 1 1 98 98 LEU C C 13 174.842 0.000 . . . . . . . . . . 7182 1 1034 . 1 1 99 99 SER N N 15 116.990 0.000 . . . . . . . . . . 7182 1 1035 . 1 1 99 99 SER H H 1 8.281 0.000 . . . . . . . . . . 7182 1 1036 . 1 1 99 99 SER CA C 13 58.430 0.000 . . . . . . . . . . 7182 1 1037 . 1 1 99 99 SER HA H 1 4.508 0.000 . . . . . . . . . . 7182 1 1038 . 1 1 99 99 SER CB C 13 63.599 0.000 . . . . . . . . . . 7182 1 1039 . 1 1 99 99 SER HB2 H 1 3.942 0.000 . . . . . . . . . . 7182 1 1040 . 1 1 99 99 SER C C 13 172.183 0.000 . . . . . . . . . . 7182 1 1041 . 1 1 100 100 VAL N N 15 121.695 0.000 . . . . . . . . . . 7182 1 1042 . 1 1 100 100 VAL H H 1 8.087 0.000 . . . . . . . . . . 7182 1 1043 . 1 1 100 100 VAL CA C 13 62.457 0.000 . . . . . . . . . . 7182 1 1044 . 1 1 100 100 VAL HA H 1 4.203 0.000 . . . . . . . . . . 7182 1 1045 . 1 1 100 100 VAL CB C 13 32.375 0.000 . . . . . . . . . . 7182 1 1046 . 1 1 100 100 VAL HB H 1 2.182 0.000 . . . . . . . . . . 7182 1 1047 . 1 1 100 100 VAL CG1 C 13 21.057 0.000 . . . . . . . . . . 7182 1 1048 . 1 1 100 100 VAL CG2 C 13 20.351 0.000 . . . . . . . . . . 7182 1 1049 . 1 1 100 100 VAL HG11 H 1 0.993 0.000 . . . . . . . . . . 7182 1 1050 . 1 1 100 100 VAL HG12 H 1 0.993 0.000 . . . . . . . . . . 7182 1 1051 . 1 1 100 100 VAL HG13 H 1 0.993 0.000 . . . . . . . . . . 7182 1 1052 . 1 1 100 100 VAL C C 13 173.997 0.000 . . . . . . . . . . 7182 1 1053 . 1 1 101 101 MET N N 15 121.906 0.000 . . . . . . . . . . 7182 1 1054 . 1 1 101 101 MET H H 1 9.320 0.000 . . . . . . . . . . 7182 1 1055 . 1 1 101 101 MET CA C 13 53.879 0.000 . . . . . . . . . . 7182 1 1056 . 1 1 101 101 MET HA H 1 4.537 0.000 . . . . . . . . . . 7182 1 1057 . 1 1 101 101 MET CB C 13 30.515 0.000 . . . . . . . . . . 7182 1 1058 . 1 1 101 101 MET HB2 H 1 2.130 0.000 . . . . . . . . . . 7182 1 1059 . 1 1 101 101 MET CG C 13 31.963 0.000 . . . . . . . . . . 7182 1 1060 . 1 1 101 101 MET HG2 H 1 2.418 0.000 . . . . . . . . . . 7182 1 1061 . 1 1 101 101 MET C C 13 174.090 0.000 . . . . . . . . . . 7182 1 1062 . 1 1 102 102 GLY N N 15 110.483 0.000 . . . . . . . . . . 7182 1 1063 . 1 1 102 102 GLY H H 1 8.376 0.000 . . . . . . . . . . 7182 1 1064 . 1 1 102 102 GLY CA C 13 45.221 0.000 . . . . . . . . . . 7182 1 1065 . 1 1 102 102 GLY HA2 H 1 4.000 0.000 . . . . . . . . . . 7182 1 1066 . 1 1 102 102 GLY C C 13 171.269 0.000 . . . . . . . . . . 7182 1 1067 . 1 1 103 103 GLN N N 15 120.379 0.000 . . . . . . . . . . 7182 1 1068 . 1 1 103 103 GLN H H 1 8.187 0.000 . . . . . . . . . . 7182 1 1069 . 1 1 103 103 GLN CA C 13 55.738 0.000 . . . . . . . . . . 7182 1 1070 . 1 1 103 103 GLN HA H 1 4.396 0.000 . . . . . . . . . . 7182 1 1071 . 1 1 103 103 GLN CB C 13 29.497 0.000 . . . . . . . . . . 7182 1 1072 . 1 1 103 103 GLN HB2 H 1 2.146 0.000 . . . . . . . . . . 7182 1 1073 . 1 1 103 103 GLN HB3 H 1 2.029 0.000 . . . . . . . . . . 7182 1 1074 . 1 1 103 103 GLN HG2 H 1 2.397 0.000 . . . . . . . . . . 7182 1 1075 . 1 1 103 103 GLN C C 13 173.671 0.000 . . . . . . . . . . 7182 1 1076 . 1 1 104 104 LYS CA C 13 56.113 0.000 . . . . . . . . . . 7182 1 1077 . 1 1 104 104 LYS CB C 13 32.886 0.000 . . . . . . . . . . 7182 1 1078 . 1 1 104 104 LYS CG C 13 25.548 0.000 . . . . . . . . . . 7182 1 1079 . 1 1 104 104 LYS CD C 13 31.079 0.000 . . . . . . . . . . 7182 1 1080 . 1 1 105 105 THR N N 15 116.356 0.000 . . . . . . . . . . 7182 1 1081 . 1 1 105 105 THR H H 1 8.300 0.000 . . . . . . . . . . 7182 1 1082 . 1 1 105 105 THR CA C 13 61.490 0.000 . . . . . . . . . . 7182 1 1083 . 1 1 105 105 THR HA H 1 4.414 0.000 . . . . . . . . . . 7182 1 1084 . 1 1 105 105 THR CB C 13 69.667 0.000 . . . . . . . . . . 7182 1 1085 . 1 1 105 105 THR HB H 1 4.287 0.000 . . . . . . . . . . 7182 1 1086 . 1 1 105 105 THR HG21 H 1 1.223 0.000 . . . . . . . . . . 7182 1 1087 . 1 1 105 105 THR HG22 H 1 1.223 0.000 . . . . . . . . . . 7182 1 1088 . 1 1 105 105 THR HG23 H 1 1.223 0.000 . . . . . . . . . . 7182 1 1089 . 1 1 105 105 THR CG2 C 13 21.429 0.000 . . . . . . . . . . 7182 1 1090 . 1 1 105 105 THR C C 13 61.784 0.000 . . . . . . . . . . 7182 1 1091 . 1 1 106 106 ASP N N 15 123.192 0.000 . . . . . . . . . . 7182 1 1092 . 1 1 106 106 ASP H H 1 8.418 0.000 . . . . . . . . . . 7182 1 1093 . 1 1 106 106 ASP CA C 13 54.050 0.000 . . . . . . . . . . 7182 1 1094 . 1 1 106 106 ASP HA H 1 4.700 0.000 . . . . . . . . . . 7182 1 1095 . 1 1 106 106 ASP CB C 13 41.128 0.000 . . . . . . . . . . 7182 1 1096 . 1 1 106 106 ASP HB2 H 1 2.774 0.000 . . . . . . . . . . 7182 1 1097 . 1 1 106 106 ASP HB3 H 1 2.705 0.000 . . . . . . . . . . 7182 1 1098 . 1 1 107 107 ASP N N 15 121.826 0.000 . . . . . . . . . . 7182 1 1099 . 1 1 107 107 ASP H H 1 8.378 0.000 . . . . . . . . . . 7182 1 1100 . 1 1 107 107 ASP CA C 13 54.300 0.000 . . . . . . . . . . 7182 1 1101 . 1 1 107 107 ASP HA H 1 4.704 0.000 . . . . . . . . . . 7182 1 1102 . 1 1 107 107 ASP CB C 13 41.300 0.000 . . . . . . . . . . 7182 1 1103 . 1 1 107 107 ASP HB2 H 1 2.769 0.000 . . . . . . . . . . 7182 1 1104 . 1 1 107 107 ASP HB3 H 1 2.692 0.000 . . . . . . . . . . 7182 1 1105 . 1 1 107 107 ASP C C 13 173.997 0.000 . . . . . . . . . . 7182 1 1106 . 1 1 108 108 THR N N 15 114.133 0.000 . . . . . . . . . . 7182 1 1107 . 1 1 108 108 THR H H 1 8.208 0.000 . . . . . . . . . . 7182 1 1108 . 1 1 108 108 THR CA C 13 62.380 0.000 . . . . . . . . . . 7182 1 1109 . 1 1 108 108 THR HA H 1 4.038 0.000 . . . . . . . . . . 7182 1 1110 . 1 1 108 108 THR CB C 13 69.441 0.000 . . . . . . . . . . 7182 1 1111 . 1 1 108 108 THR HB H 1 4.290 0.000 . . . . . . . . . . 7182 1 1112 . 1 1 108 108 THR HG21 H 1 1.306 0.000 . . . . . . . . . . 7182 1 1113 . 1 1 108 108 THR HG22 H 1 1.306 0.000 . . . . . . . . . . 7182 1 1114 . 1 1 108 108 THR HG23 H 1 1.306 0.000 . . . . . . . . . . 7182 1 1115 . 1 1 108 108 THR CG2 C 13 21.419 0.000 . . . . . . . . . . 7182 1 1116 . 1 1 108 108 THR C C 13 172.013 0.000 . . . . . . . . . . 7182 1 1117 . 1 1 109 109 ASN N N 15 121.932 0.000 . . . . . . . . . . 7182 1 1118 . 1 1 109 109 ASN H H 1 8.426 0.000 . . . . . . . . . . 7182 1 1119 . 1 1 109 109 ASN CA C 13 53.446 0.000 . . . . . . . . . . 7182 1 1120 . 1 1 109 109 ASN HA H 1 4.784 0.000 . . . . . . . . . . 7182 1 1121 . 1 1 109 109 ASN CB C 13 38.719 0.000 . . . . . . . . . . 7182 1 1122 . 1 1 109 109 ASN HB2 H 1 2.902 0.000 . . . . . . . . . . 7182 1 1123 . 1 1 109 109 ASN HB3 H 1 2.892 0.000 . . . . . . . . . . 7182 1 1124 . 1 1 109 109 ASN C C 13 171.354 0.000 . . . . . . . . . . 7182 1 1125 . 1 1 110 110 LYS N N 15 127.261 0.000 . . . . . . . . . . 7182 1 1126 . 1 1 110 110 LYS H H 1 7.810 0.000 . . . . . . . . . . 7182 1 1127 . 1 1 110 110 LYS CA C 13 57.860 0.000 . . . . . . . . . . 7182 1 1128 . 1 1 110 110 LYS HA H 1 4.142 0.000 . . . . . . . . . . 7182 1 1129 . 1 1 110 110 LYS CB C 13 33.660 0.000 . . . . . . . . . . 7182 1 1130 . 1 1 110 110 LYS HB2 H 1 1.874 0.000 . . . . . . . . . . 7182 1 1131 . 1 1 110 110 LYS HB3 H 1 1.759 0.000 . . . . . . . . . . 7182 1 1132 . 1 1 110 110 LYS HG2 H 1 1.428 0.000 . . . . . . . . . . 7182 1 1133 . 1 1 110 110 LYS HE2 H 1 3.055 0.000 . . . . . . . . . . 7182 1 stop_ save_