data_7094 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7094 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . 'NMR solution structure of the Acylphosphatase from Eschaerichia Coli' 'Structure analysis' 'The chemical shifts entries were used to determine the structure of the Acylphosphatase from Eschaerichia Coli.' 7094 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . Acylphosphatase 7094 1 . 'NMR structure' 7094 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7094 _Entry.Title ; 1H and 15N Chemical Shift Assignments for the Acylphosphatase from Eschaerichia Coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-03 _Entry.Accession_date 2006-05-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Katiuscia Pagano . . . 7094 2 Alessandra Corazza . . . 7094 3 Paolo Viglino . . . 7094 4 Gennaro Esposito . . . 7094 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7094 coupling_constants 1 7094 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 100 7094 '1H chemical shifts' 486 7094 'coupling constants' 59 7094 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-01-26 2006-05-03 update author 'update the entry citation' 7094 1 . . 2006-10-30 2006-05-03 original author 'original release' 7094 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7094 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17021943 _Citation.Full_citation . _Citation.Title 'NMR solution structure of the acylphosphatase from Escherichia coli.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 3 _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 199 _Citation.Page_last 204 _Citation.Year 2006 _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 K. Pagano . . . 7094 1 2 M. Ramazzotti . . . 7094 1 3 P. Viglino . . . 7094 1 4 G. Esposito . . . 7094 1 5 D. Degl'innocenti . . . 7094 1 6 N. Taddei . . . 7094 1 7 A. Corazza . . . 7094 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'protein structure' 7094 1 'sulfolobus solfataricus acylphosphatase' 7094 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7094 _Assembly.ID 1 _Assembly.Name EColi _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 10581 _Assembly.Enzyme_commission_number 3.6.1.7 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7094 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 EColi 1 $EColi_AcP . . yes native no no . . . 7094 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EColi_AcP _Entity.Sf_category entity _Entity.Sf_framecode EColi_AcP _Entity.Entry_ID 7094 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Eschaerichia Coli Acylphosphatase' _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 ; MSKVCIIAWVYGRVQGVGFR YTTQYEAKRLGLTGYAKNLD DGSVEVVACGEEGQVEKLMQ WLKSGGPRSARVERVLSEPH HPSGELTDFRIR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10581 _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 2GV1 . "Nmr Solution Structure Of The Acylphosphatase From Eschaerichia Coli" . . . . . 100.00 92 100.00 100.00 2.46e-60 . . . . 7094 1 2 no DBJ BAA35733 . "predicted acylphosphatase [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 92 100.00 100.00 2.46e-60 . . . . 7094 1 3 no DBJ BAB34475 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 92 100.00 100.00 2.46e-60 . . . . 7094 1 4 no DBJ BAI24411 . "predicted acylphosphatase [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 92 98.91 98.91 3.41e-59 . . . . 7094 1 5 no DBJ BAI29861 . "predicted acylphosphatase [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 92 98.91 100.00 1.50e-59 . . . . 7094 1 6 no DBJ BAI34990 . "predicted acylphosphatase [Escherichia coli O111:H- str. 11128]" . . . . . 100.00 92 98.91 98.91 3.41e-59 . . . . 7094 1 7 no EMBL CAQ31496 . "acylphosphatase [Escherichia coli BL21(DE3)]" . . . . . 100.00 92 100.00 100.00 2.46e-60 . . . . 7094 1 8 no EMBL CAQ88634 . "acylphosphatase [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 163 100.00 100.00 4.10e-60 . . . . 7094 1 9 no EMBL CAQ97873 . "acylphosphatase [Escherichia coli IAI1]" . . . . . 100.00 163 100.00 100.00 3.09e-60 . . . . 7094 1 10 no EMBL CAR12367 . "acylphosphatase [Escherichia coli UMN026]" . . . . . 98.91 163 97.80 98.90 3.66e-58 . . . . 7094 1 11 no EMBL CAR18304 . "acylphosphatase [Escherichia coli IAI39]" . . . . . 100.00 163 98.91 100.00 1.06e-59 . . . . 7094 1 12 no GB AAC74054 . "weak acylphosphatase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 92 100.00 100.00 2.46e-60 . . . . 7094 1 13 no GB AAG55454 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 92 100.00 100.00 2.46e-60 . . . . 7094 1 14 no GB AAN42598 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 92 97.83 100.00 4.94e-60 . . . . 7094 1 15 no GB AAN79574 . "Putative acylphosphatase [Escherichia coli CFT073]" . . . . . 100.00 132 97.83 100.00 1.34e-59 . . . . 7094 1 16 no GB AAP16484 . "hypothetical protein S1036 [Shigella flexneri 2a str. 2457T]" . . . . . 100.00 92 97.83 100.00 4.94e-60 . . . . 7094 1 17 no REF NP_286843 . "acylphosphatase [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 92 100.00 100.00 2.46e-60 . . . . 7094 1 18 no REF NP_309079 . "acylphosphatase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 92 100.00 100.00 2.46e-60 . . . . 7094 1 19 no REF NP_415488 . "weak acylphosphatase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 92 100.00 100.00 2.46e-60 . . . . 7094 1 20 no REF NP_706891 . "acylphosphatase [Shigella flexneri 2a str. 301]" . . . . . 100.00 92 97.83 100.00 4.94e-60 . . . . 7094 1 21 no REF NP_753031 . "acylphosphatase [Escherichia coli CFT073]" . . . . . 100.00 132 97.83 100.00 1.34e-59 . . . . 7094 1 22 no SP P0AB65 . "RecName: Full=Acylphosphatase; AltName: Full=Acylphosphate phosphohydrolase [Escherichia coli K-12]" . . . . . 100.00 92 100.00 100.00 2.46e-60 . . . . 7094 1 23 no SP P0AB66 . "RecName: Full=Acylphosphatase; AltName: Full=Acylphosphate phosphohydrolase [Escherichia coli O157:H7]" . . . . . 100.00 92 100.00 100.00 2.46e-60 . . . . 7094 1 24 no SP Q31YN1 . "RecName: Full=Acylphosphatase; AltName: Full=Acylphosphate phosphohydrolase [Shigella boydii Sb227]" . . . . . 100.00 92 97.83 100.00 4.94e-60 . . . . 7094 1 25 no SP Q83LL9 . "RecName: Full=Acylphosphatase; AltName: Full=Acylphosphate phosphohydrolase [Shigella flexneri]" . . . . . 100.00 92 97.83 100.00 4.94e-60 . . . . 7094 1 26 no SP Q8FJ70 . "RecName: Full=Acylphosphatase; AltName: Full=Acylphosphate phosphohydrolase [Escherichia coli CFT073]" . . . . . 100.00 92 97.83 100.00 1.70e-59 . . . . 7094 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Catalyzes the hydrolysis of acylphosphates' 7094 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID AcP . 7094 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID Acylphosphatase 7094 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 7094 1 2 . SER . 7094 1 3 . LYS . 7094 1 4 . VAL . 7094 1 5 . CYS . 7094 1 6 . ILE . 7094 1 7 . ILE . 7094 1 8 . ALA . 7094 1 9 . TRP . 7094 1 10 . VAL . 7094 1 11 . TYR . 7094 1 12 . GLY . 7094 1 13 . ARG . 7094 1 14 . VAL . 7094 1 15 . GLN . 7094 1 16 . GLY . 7094 1 17 . VAL . 7094 1 18 . GLY . 7094 1 19 . PHE . 7094 1 20 . ARG . 7094 1 21 . TYR . 7094 1 22 . THR . 7094 1 23 . THR . 7094 1 24 . GLN . 7094 1 25 . TYR . 7094 1 26 . GLU . 7094 1 27 . ALA . 7094 1 28 . LYS . 7094 1 29 . ARG . 7094 1 30 . LEU . 7094 1 31 . GLY . 7094 1 32 . LEU . 7094 1 33 . THR . 7094 1 34 . GLY . 7094 1 35 . TYR . 7094 1 36 . ALA . 7094 1 37 . LYS . 7094 1 38 . ASN . 7094 1 39 . LEU . 7094 1 40 . ASP . 7094 1 41 . ASP . 7094 1 42 . GLY . 7094 1 43 . SER . 7094 1 44 . VAL . 7094 1 45 . GLU . 7094 1 46 . VAL . 7094 1 47 . VAL . 7094 1 48 . ALA . 7094 1 49 . CYS . 7094 1 50 . GLY . 7094 1 51 . GLU . 7094 1 52 . GLU . 7094 1 53 . GLY . 7094 1 54 . GLN . 7094 1 55 . VAL . 7094 1 56 . GLU . 7094 1 57 . LYS . 7094 1 58 . LEU . 7094 1 59 . MET . 7094 1 60 . GLN . 7094 1 61 . TRP . 7094 1 62 . LEU . 7094 1 63 . LYS . 7094 1 64 . SER . 7094 1 65 . GLY . 7094 1 66 . GLY . 7094 1 67 . PRO . 7094 1 68 . ARG . 7094 1 69 . SER . 7094 1 70 . ALA . 7094 1 71 . ARG . 7094 1 72 . VAL . 7094 1 73 . GLU . 7094 1 74 . ARG . 7094 1 75 . VAL . 7094 1 76 . LEU . 7094 1 77 . SER . 7094 1 78 . GLU . 7094 1 79 . PRO . 7094 1 80 . HIS . 7094 1 81 . HIS . 7094 1 82 . PRO . 7094 1 83 . SER . 7094 1 84 . GLY . 7094 1 85 . GLU . 7094 1 86 . LEU . 7094 1 87 . THR . 7094 1 88 . ASP . 7094 1 89 . PHE . 7094 1 90 . ARG . 7094 1 91 . ILE . 7094 1 92 . ARG . 7094 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 7094 1 . SER 2 2 7094 1 . LYS 3 3 7094 1 . VAL 4 4 7094 1 . CYS 5 5 7094 1 . ILE 6 6 7094 1 . ILE 7 7 7094 1 . ALA 8 8 7094 1 . TRP 9 9 7094 1 . VAL 10 10 7094 1 . TYR 11 11 7094 1 . GLY 12 12 7094 1 . ARG 13 13 7094 1 . VAL 14 14 7094 1 . GLN 15 15 7094 1 . GLY 16 16 7094 1 . VAL 17 17 7094 1 . GLY 18 18 7094 1 . PHE 19 19 7094 1 . ARG 20 20 7094 1 . TYR 21 21 7094 1 . THR 22 22 7094 1 . THR 23 23 7094 1 . GLN 24 24 7094 1 . TYR 25 25 7094 1 . GLU 26 26 7094 1 . ALA 27 27 7094 1 . LYS 28 28 7094 1 . ARG 29 29 7094 1 . LEU 30 30 7094 1 . GLY 31 31 7094 1 . LEU 32 32 7094 1 . THR 33 33 7094 1 . GLY 34 34 7094 1 . TYR 35 35 7094 1 . ALA 36 36 7094 1 . LYS 37 37 7094 1 . ASN 38 38 7094 1 . LEU 39 39 7094 1 . ASP 40 40 7094 1 . ASP 41 41 7094 1 . GLY 42 42 7094 1 . SER 43 43 7094 1 . VAL 44 44 7094 1 . GLU 45 45 7094 1 . VAL 46 46 7094 1 . VAL 47 47 7094 1 . ALA 48 48 7094 1 . CYS 49 49 7094 1 . GLY 50 50 7094 1 . GLU 51 51 7094 1 . GLU 52 52 7094 1 . GLY 53 53 7094 1 . GLN 54 54 7094 1 . VAL 55 55 7094 1 . GLU 56 56 7094 1 . LYS 57 57 7094 1 . LEU 58 58 7094 1 . MET 59 59 7094 1 . GLN 60 60 7094 1 . TRP 61 61 7094 1 . LEU 62 62 7094 1 . LYS 63 63 7094 1 . SER 64 64 7094 1 . GLY 65 65 7094 1 . GLY 66 66 7094 1 . PRO 67 67 7094 1 . ARG 68 68 7094 1 . SER 69 69 7094 1 . ALA 70 70 7094 1 . ARG 71 71 7094 1 . VAL 72 72 7094 1 . GLU 73 73 7094 1 . ARG 74 74 7094 1 . VAL 75 75 7094 1 . LEU 76 76 7094 1 . SER 77 77 7094 1 . GLU 78 78 7094 1 . PRO 79 79 7094 1 . HIS 80 80 7094 1 . HIS 81 81 7094 1 . PRO 82 82 7094 1 . SER 83 83 7094 1 . GLY 84 84 7094 1 . GLU 85 85 7094 1 . LEU 86 86 7094 1 . THR 87 87 7094 1 . ASP 88 88 7094 1 . PHE 89 89 7094 1 . ARG 90 90 7094 1 . ILE 91 91 7094 1 . ARG 92 92 7094 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 7094 _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 $EColi_AcP . 562 . no . 'Eschaerichia Coli' . . Eubacteria . Eschaerichia coli . . . . . . . . . . . . . . . . . . . . . 7094 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 7094 _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 $EColi_AcP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7094 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7094 _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 'Eschaerichia Coli Acylphosphatase' . . . 1 $EColi_AcP . . 0.5 . . mM . . . . 7094 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7094 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Eschaerichia Coli Acylphosphatase' '[U-95% 15N]' . . 1 $EColi_AcP . . 0.5 . . mM . . . . 7094 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7094 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.95 0.01 pH 7094 1 temperature 310 0.01 K 7094 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer _NMR_spectrometer.Entry_ID 7094 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500.1323 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7094 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H TOCSY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7094 1 2 '2D 1H NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7094 1 3 '2D 1H DQF-COSY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7094 1 4 '2D 1H 15N HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7094 1 5 '3D 1H 15N NOESY-HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7094 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7094 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 dioxane 'methyl protons' . . . . ppm 3.75 internal direct 1.0 . . . . . . . . . 7094 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7094 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7094 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 isotropic 7094 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.419 0.01 . 1 . . . . 1 MET H . 7094 1 2 . 1 1 1 1 MET HA H 1 4.551 0.01 . 1 . . . . 1 MET HA . 7094 1 3 . 1 1 1 1 MET HB2 H 1 2.116 0.01 . 2 . . . . 1 MET HB2 . 7094 1 4 . 1 1 1 1 MET HB3 H 1 2.006 0.01 . 2 . . . . 1 MET HB3 . 7094 1 5 . 1 1 1 1 MET HG2 H 1 2.588 0.01 . 2 . . . . 1 MET HG2 . 7094 1 6 . 1 1 1 1 MET HG3 H 1 2.524 0.01 . 2 . . . . 1 MET HG3 . 7094 1 7 . 1 1 1 1 MET N N 15 121.97 0.26 . 1 . . . . 1 MET N . 7094 1 8 . 1 1 2 2 SER H H 1 8.48 0.01 . 1 . . . . 2 SER H . 7094 1 9 . 1 1 2 2 SER HA H 1 4.494 0.01 . 1 . . . . 2 SER HA . 7094 1 10 . 1 1 2 2 SER N N 15 118.36 0.26 . 1 . . . . 2 SER N . 7094 1 11 . 1 1 3 3 LYS H H 1 8.179 0.01 . 1 . . . . 3 LYS H . 7094 1 12 . 1 1 3 3 LYS HA H 1 4.481 0.01 . 1 . . . . 3 LYS HA . 7094 1 13 . 1 1 3 3 LYS N N 15 123.35 0.26 . 1 . . . . 3 LYS N . 7094 1 14 . 1 1 4 4 VAL H H 1 8.852 0.01 . 1 . . . . 4 VAL H . 7094 1 15 . 1 1 4 4 VAL HA H 1 4.636 0.01 . 1 . . . . 4 VAL HA . 7094 1 16 . 1 1 4 4 VAL HB H 1 2.245 0.01 . 1 . . . . 4 VAL HB . 7094 1 17 . 1 1 4 4 VAL HG11 H 1 0.939 0.01 . 2 . . . . 4 VAL HG1 . 7094 1 18 . 1 1 4 4 VAL HG12 H 1 0.939 0.01 . 2 . . . . 4 VAL HG1 . 7094 1 19 . 1 1 4 4 VAL HG13 H 1 0.939 0.01 . 2 . . . . 4 VAL HG1 . 7094 1 20 . 1 1 4 4 VAL HG21 H 1 0.886 0.01 . 2 . . . . 4 VAL HG2 . 7094 1 21 . 1 1 4 4 VAL HG22 H 1 0.886 0.01 . 2 . . . . 4 VAL HG2 . 7094 1 22 . 1 1 4 4 VAL HG23 H 1 0.886 0.01 . 2 . . . . 4 VAL HG2 . 7094 1 23 . 1 1 4 4 VAL N N 15 119.3 0.26 . 1 . . . . 4 VAL N . 7094 1 24 . 1 1 6 6 ILE H H 1 9.116 0.01 . 1 . . . . 6 ILE H . 7094 1 25 . 1 1 6 6 ILE HA H 1 4.721 0.01 . 1 . . . . 6 ILE HA . 7094 1 26 . 1 1 6 6 ILE HB H 1 1.596 0.01 . 1 . . . . 6 ILE HB . 7094 1 27 . 1 1 6 6 ILE HG12 H 1 1.049 0.01 . 2 . . . . 6 ILE HG12 . 7094 1 28 . 1 1 6 6 ILE HG13 H 1 1.38 0.01 . 2 . . . . 6 ILE HG13 . 7094 1 29 . 1 1 6 6 ILE HG21 H 1 0.785 0.01 . 1 . . . . 6 ILE HG2 . 7094 1 30 . 1 1 6 6 ILE HG22 H 1 0.785 0.01 . 1 . . . . 6 ILE HG2 . 7094 1 31 . 1 1 6 6 ILE HG23 H 1 0.785 0.01 . 1 . . . . 6 ILE HG2 . 7094 1 32 . 1 1 6 6 ILE N N 15 121.34 0.26 . 1 . . . . 6 ILE N . 7094 1 33 . 1 1 7 7 ILE H H 1 8.617 0.01 . 1 . . . . 7 ILE H . 7094 1 34 . 1 1 7 7 ILE HA H 1 4.87 0.01 . 1 . . . . 7 ILE HA . 7094 1 35 . 1 1 7 7 ILE HB H 1 0.66 0.01 . 1 . . . . 7 ILE HB . 7094 1 36 . 1 1 7 7 ILE HG21 H 1 0.605 0.01 . 1 . . . . 7 ILE HG2 . 7094 1 37 . 1 1 7 7 ILE HG22 H 1 0.605 0.01 . 1 . . . . 7 ILE HG2 . 7094 1 38 . 1 1 7 7 ILE HG23 H 1 0.605 0.01 . 1 . . . . 7 ILE HG2 . 7094 1 39 . 1 1 7 7 ILE HD11 H 1 -0.599 0.01 . 1 . . . . 7 ILE HD1 . 7094 1 40 . 1 1 7 7 ILE HD12 H 1 -0.599 0.01 . 1 . . . . 7 ILE HD1 . 7094 1 41 . 1 1 7 7 ILE HD13 H 1 -0.599 0.01 . 1 . . . . 7 ILE HD1 . 7094 1 42 . 1 1 7 7 ILE N N 15 122.96 0.26 . 1 . . . . 7 ILE N . 7094 1 43 . 1 1 8 8 ALA H H 1 9.013 0.01 . 1 . . . . 8 ALA H . 7094 1 44 . 1 1 8 8 ALA HA H 1 5.12 0.01 . 1 . . . . 8 ALA HA . 7094 1 45 . 1 1 8 8 ALA HB1 H 1 0.88 0.01 . 1 . . . . 8 ALA HB . 7094 1 46 . 1 1 8 8 ALA HB2 H 1 0.88 0.01 . 1 . . . . 8 ALA HB . 7094 1 47 . 1 1 8 8 ALA HB3 H 1 0.88 0.01 . 1 . . . . 8 ALA HB . 7094 1 48 . 1 1 8 8 ALA N N 15 127.99 0.26 . 1 . . . . 8 ALA N . 7094 1 49 . 1 1 9 9 TRP H H 1 9.129 0.01 . 1 . . . . 9 TRP H . 7094 1 50 . 1 1 9 9 TRP HA H 1 5.311 0.01 . 1 . . . . 9 TRP HA . 7094 1 51 . 1 1 9 9 TRP HB2 H 1 3.151 0.01 . 2 . . . . 9 TRP HB2 . 7094 1 52 . 1 1 9 9 TRP HB3 H 1 2.649 0.01 . 2 . . . . 9 TRP HB3 . 7094 1 53 . 1 1 9 9 TRP HD1 H 1 6.926 0.01 . 1 . . . . 9 TRP HD1 . 7094 1 54 . 1 1 9 9 TRP HE1 H 1 11.098 0.01 . 1 . . . . 9 TRP HE1 . 7094 1 55 . 1 1 9 9 TRP HE3 H 1 7.476 0.01 . 1 . . . . 9 TRP HE3 . 7094 1 56 . 1 1 9 9 TRP HZ2 H 1 7.288 0.01 . 1 . . . . 9 TRP HZ2 . 7094 1 57 . 1 1 9 9 TRP HZ3 H 1 6.772 0.01 . 1 . . . . 9 TRP HZ3 . 7094 1 58 . 1 1 9 9 TRP HH2 H 1 6.99 0.01 . 1 . . . . 9 TRP HH2 . 7094 1 59 . 1 1 9 9 TRP N N 15 120.08 0.26 . 1 . . . . 9 TRP N . 7094 1 60 . 1 1 9 9 TRP NE1 N 15 130.56 0.26 . 1 . . . . 9 TRP NE1 . 7094 1 61 . 1 1 10 10 VAL H H 1 8.987 0.01 . 1 . . . . 10 VAL H . 7094 1 62 . 1 1 10 10 VAL HA H 1 4.478 0.01 . 1 . . . . 10 VAL HA . 7094 1 63 . 1 1 10 10 VAL HB H 1 1.728 0.01 . 1 . . . . 10 VAL HB . 7094 1 64 . 1 1 10 10 VAL HG11 H 1 0.843 0.01 . 2 . . . . 10 VAL HG1 . 7094 1 65 . 1 1 10 10 VAL HG12 H 1 0.843 0.01 . 2 . . . . 10 VAL HG1 . 7094 1 66 . 1 1 10 10 VAL HG13 H 1 0.843 0.01 . 2 . . . . 10 VAL HG1 . 7094 1 67 . 1 1 10 10 VAL HG21 H 1 0.809 0.01 . 2 . . . . 10 VAL HG2 . 7094 1 68 . 1 1 10 10 VAL HG22 H 1 0.809 0.01 . 2 . . . . 10 VAL HG2 . 7094 1 69 . 1 1 10 10 VAL HG23 H 1 0.809 0.01 . 2 . . . . 10 VAL HG2 . 7094 1 70 . 1 1 10 10 VAL N N 15 122.67 0.26 . 1 . . . . 10 VAL N . 7094 1 71 . 1 1 11 11 TYR H H 1 8.555 0.01 . 1 . . . . 11 TYR H . 7094 1 72 . 1 1 11 11 TYR HA H 1 4.898 0.01 . 1 . . . . 11 TYR HA . 7094 1 73 . 1 1 11 11 TYR HB2 H 1 3.056 0.01 . 2 . . . . 11 TYR HB2 . 7094 1 74 . 1 1 11 11 TYR HB3 H 1 2.686 0.01 . 2 . . . . 11 TYR HB3 . 7094 1 75 . 1 1 11 11 TYR HD1 H 1 6.993 0.01 . 1 . . . . 11 TYR HD . 7094 1 76 . 1 1 11 11 TYR HD2 H 1 6.993 0.01 . 1 . . . . 11 TYR HD . 7094 1 77 . 1 1 11 11 TYR HE1 H 1 6.697 0.01 . 1 . . . . 11 TYR HE . 7094 1 78 . 1 1 11 11 TYR HE2 H 1 6.697 0.01 . 1 . . . . 11 TYR HE . 7094 1 79 . 1 1 11 11 TYR N N 15 122.58 0.26 . 1 . . . . 11 TYR N . 7094 1 80 . 1 1 12 12 GLY H H 1 9.044 0.01 . 1 . . . . 12 GLY H . 7094 1 81 . 1 1 12 12 GLY HA2 H 1 4.854 0.01 . 2 . . . . 12 GLY HA2 . 7094 1 82 . 1 1 12 12 GLY HA3 H 1 3.749 0.01 . 2 . . . . 12 GLY HA3 . 7094 1 83 . 1 1 12 12 GLY N N 15 110.27 0.26 . 1 . . . . 12 GLY N . 7094 1 84 . 1 1 13 13 ARG H H 1 8.794 0.01 . 1 . . . . 13 ARG H . 7094 1 85 . 1 1 13 13 ARG HA H 1 4.771 0.01 . 1 . . . . 13 ARG HA . 7094 1 86 . 1 1 13 13 ARG HG2 H 1 1.76 0.01 . 2 . . . . 13 ARG HG2 . 7094 1 87 . 1 1 13 13 ARG HG3 H 1 1.612 0.01 . 2 . . . . 13 ARG HG3 . 7094 1 88 . 1 1 13 13 ARG HE H 1 7.148 0.01 . 1 . . . . 13 ARG HE . 7094 1 89 . 1 1 13 13 ARG N N 15 127.89 0.26 . 1 . . . . 13 ARG N . 7094 1 90 . 1 1 13 13 ARG NE N 15 84.85 0.26 . 1 . . . . 13 ARG NE . 7094 1 91 . 1 1 14 14 VAL H H 1 7.767 0.01 . 1 . . . . 14 VAL H . 7094 1 92 . 1 1 14 14 VAL HA H 1 4.331 0.01 . 1 . . . . 14 VAL HA . 7094 1 93 . 1 1 14 14 VAL HB H 1 1.588 0.01 . 1 . . . . 14 VAL HB . 7094 1 94 . 1 1 14 14 VAL HG11 H 1 0.63 0.01 . 2 . . . . 14 VAL HG1 . 7094 1 95 . 1 1 14 14 VAL HG12 H 1 0.63 0.01 . 2 . . . . 14 VAL HG1 . 7094 1 96 . 1 1 14 14 VAL HG13 H 1 0.63 0.01 . 2 . . . . 14 VAL HG1 . 7094 1 97 . 1 1 14 14 VAL HG21 H 1 0.246 0.01 . 2 . . . . 14 VAL HG2 . 7094 1 98 . 1 1 14 14 VAL HG22 H 1 0.246 0.01 . 2 . . . . 14 VAL HG2 . 7094 1 99 . 1 1 14 14 VAL HG23 H 1 0.246 0.01 . 2 . . . . 14 VAL HG2 . 7094 1 100 . 1 1 14 14 VAL N N 15 112.64 0.26 . 1 . . . . 14 VAL N . 7094 1 101 . 1 1 15 15 GLN H H 1 8.283 0.01 . 1 . . . . 15 GLN H . 7094 1 102 . 1 1 15 15 GLN HA H 1 4.635 0.01 . 1 . . . . 15 GLN HA . 7094 1 103 . 1 1 15 15 GLN HB2 H 1 2.148 0.01 . 2 . . . . 15 GLN HB2 . 7094 1 104 . 1 1 15 15 GLN HB3 H 1 2.003 0.01 . 2 . . . . 15 GLN HB3 . 7094 1 105 . 1 1 15 15 GLN HE21 H 1 7.573 0.01 . 1 . . . . 15 GLN HE21 . 7094 1 106 . 1 1 15 15 GLN HE22 H 1 6.657 0.01 . 1 . . . . 15 GLN HE22 . 7094 1 107 . 1 1 15 15 GLN N N 15 121.27 0.26 . 1 . . . . 15 GLN N . 7094 1 108 . 1 1 15 15 GLN NE2 N 15 111.53 0.26 . 1 . . . . 15 GLN NE2 . 7094 1 109 . 1 1 16 16 GLY H H 1 9.945 0.01 . 1 . . . . 16 GLY H . 7094 1 110 . 1 1 16 16 GLY HA2 H 1 4.182 0.01 . 2 . . . . 16 GLY HA2 . 7094 1 111 . 1 1 16 16 GLY HA3 H 1 3.948 0.01 . 2 . . . . 16 GLY HA3 . 7094 1 112 . 1 1 16 16 GLY N N 15 112.24 0.26 . 1 . . . . 16 GLY N . 7094 1 113 . 1 1 17 17 VAL H H 1 7.861 0.01 . 1 . . . . 17 VAL H . 7094 1 114 . 1 1 17 17 VAL HA H 1 4.721 0.01 . 1 . . . . 17 VAL HA . 7094 1 115 . 1 1 17 17 VAL HB H 1 2.417 0.01 . 1 . . . . 17 VAL HB . 7094 1 116 . 1 1 17 17 VAL HG11 H 1 0.735 0.01 . 2 . . . . 17 VAL HG1 . 7094 1 117 . 1 1 17 17 VAL HG12 H 1 0.735 0.01 . 2 . . . . 17 VAL HG1 . 7094 1 118 . 1 1 17 17 VAL HG13 H 1 0.735 0.01 . 2 . . . . 17 VAL HG1 . 7094 1 119 . 1 1 17 17 VAL HG21 H 1 0.632 0.01 . 2 . . . . 17 VAL HG2 . 7094 1 120 . 1 1 17 17 VAL HG22 H 1 0.632 0.01 . 2 . . . . 17 VAL HG2 . 7094 1 121 . 1 1 17 17 VAL HG23 H 1 0.632 0.01 . 2 . . . . 17 VAL HG2 . 7094 1 122 . 1 1 17 17 VAL N N 15 109.87 0.26 . 1 . . . . 17 VAL N . 7094 1 123 . 1 1 18 18 GLY H H 1 9.346 0.01 . 1 . . . . 18 GLY H . 7094 1 124 . 1 1 18 18 GLY HA2 H 1 4.652 0.01 . 2 . . . . 18 GLY HA2 . 7094 1 125 . 1 1 18 18 GLY HA3 H 1 4.213 0.01 . 2 . . . . 18 GLY HA3 . 7094 1 126 . 1 1 18 18 GLY N N 15 114.2 0.26 . 1 . . . . 18 GLY N . 7094 1 127 . 1 1 19 19 PHE H H 1 9.315 0.01 . 1 . . . . 19 PHE H . 7094 1 128 . 1 1 19 19 PHE HA H 1 3.861 0.01 . 1 . . . . 19 PHE HA . 7094 1 129 . 1 1 19 19 PHE HB2 H 1 3.551 0.01 . 2 . . . . 19 PHE HB2 . 7094 1 130 . 1 1 19 19 PHE HB3 H 1 3.053 0.01 . 2 . . . . 19 PHE HB3 . 7094 1 131 . 1 1 19 19 PHE HD1 H 1 6.929 0.01 . 1 . . . . 19 PHE HD . 7094 1 132 . 1 1 19 19 PHE HD2 H 1 6.929 0.01 . 1 . . . . 19 PHE HD . 7094 1 133 . 1 1 19 19 PHE HE1 H 1 6.867 0.01 . 1 . . . . 19 PHE HE . 7094 1 134 . 1 1 19 19 PHE HE2 H 1 6.867 0.01 . 1 . . . . 19 PHE HE . 7094 1 135 . 1 1 19 19 PHE N N 15 124.4 0.26 . 1 . . . . 19 PHE N . 7094 1 136 . 1 1 20 20 ARG H H 1 9.584 0.01 . 1 . . . . 20 ARG H . 7094 1 137 . 1 1 20 20 ARG HA H 1 4.65 0.01 . 1 . . . . 20 ARG HA . 7094 1 138 . 1 1 20 20 ARG N N 15 120.86 0.26 . 1 . . . . 20 ARG N . 7094 1 139 . 1 1 21 21 TYR H H 1 8.676 0.01 . 1 . . . . 21 TYR H . 7094 1 140 . 1 1 21 21 TYR HA H 1 4.126 0.01 . 1 . . . . 21 TYR HA . 7094 1 141 . 1 1 21 21 TYR HB2 H 1 3.094 0.01 . 2 . . . . 21 TYR HB2 . 7094 1 142 . 1 1 21 21 TYR HB3 H 1 2.975 0.01 . 2 . . . . 21 TYR HB3 . 7094 1 143 . 1 1 21 21 TYR HD1 H 1 7.119 0.01 . 1 . . . . 21 TYR HD . 7094 1 144 . 1 1 21 21 TYR HD2 H 1 7.119 0.01 . 1 . . . . 21 TYR HD . 7094 1 145 . 1 1 21 21 TYR HE1 H 1 6.803 0.01 . 1 . . . . 21 TYR HE . 7094 1 146 . 1 1 21 21 TYR HE2 H 1 6.803 0.01 . 1 . . . . 21 TYR HE . 7094 1 147 . 1 1 21 21 TYR N N 15 119.06 0.26 . 1 . . . . 21 TYR N . 7094 1 148 . 1 1 22 22 THR H H 1 8.193 0.01 . 1 . . . . 22 THR H . 7094 1 149 . 1 1 22 22 THR HA H 1 4.141 0.01 . 1 . . . . 22 THR HA . 7094 1 150 . 1 1 22 22 THR HB H 1 3.89 0.01 . 1 . . . . 22 THR HB . 7094 1 151 . 1 1 22 22 THR HG21 H 1 1.467 0.01 . 1 . . . . 22 THR HG2 . 7094 1 152 . 1 1 22 22 THR HG22 H 1 1.467 0.01 . 1 . . . . 22 THR HG2 . 7094 1 153 . 1 1 22 22 THR HG23 H 1 1.467 0.01 . 1 . . . . 22 THR HG2 . 7094 1 154 . 1 1 22 22 THR N N 15 114.85 0.26 . 1 . . . . 22 THR N . 7094 1 155 . 1 1 23 23 THR H H 1 8.164 0.01 . 1 . . . . 23 THR H . 7094 1 156 . 1 1 23 23 THR HA H 1 4.056 0.01 . 1 . . . . 23 THR HA . 7094 1 157 . 1 1 23 23 THR HB H 1 3.469 0.01 . 1 . . . . 23 THR HB . 7094 1 158 . 1 1 23 23 THR HG21 H 1 1.027 0.01 . 1 . . . . 23 THR HG2 . 7094 1 159 . 1 1 23 23 THR HG22 H 1 1.027 0.01 . 1 . . . . 23 THR HG2 . 7094 1 160 . 1 1 23 23 THR HG23 H 1 1.027 0.01 . 1 . . . . 23 THR HG2 . 7094 1 161 . 1 1 23 23 THR N N 15 120.52 0.26 . 1 . . . . 23 THR N . 7094 1 162 . 1 1 24 24 GLN H H 1 8.165 0.01 . 1 . . . . 24 GLN H . 7094 1 163 . 1 1 24 24 GLN HA H 1 3.292 0.01 . 1 . . . . 24 GLN HA . 7094 1 164 . 1 1 24 24 GLN HB2 H 1 2.448 0.01 . 2 . . . . 24 GLN HB2 . 7094 1 165 . 1 1 24 24 GLN HB3 H 1 1.843 0.01 . 2 . . . . 24 GLN HB3 . 7094 1 166 . 1 1 24 24 GLN HG2 H 1 2.282 0.01 . 2 . . . . 24 GLN HG2 . 7094 1 167 . 1 1 24 24 GLN HG3 H 1 2.023 0.01 . 2 . . . . 24 GLN HG3 . 7094 1 168 . 1 1 24 24 GLN HE21 H 1 7.93 0.01 . 1 . . . . 24 GLN HE21 . 7094 1 169 . 1 1 24 24 GLN HE22 H 1 6.86 0.01 . 1 . . . . 24 GLN HE22 . 7094 1 170 . 1 1 24 24 GLN N N 15 121.21 0.26 . 1 . . . . 24 GLN N . 7094 1 171 . 1 1 24 24 GLN NE2 N 15 111.51 0.26 . 1 . . . . 24 GLN NE2 . 7094 1 172 . 1 1 25 25 TYR H H 1 7.848 0.01 . 1 . . . . 25 TYR H . 7094 1 173 . 1 1 25 25 TYR HA H 1 3.791 0.01 . 1 . . . . 25 TYR HA . 7094 1 174 . 1 1 25 25 TYR HB2 H 1 2.998 0.01 . 2 . . . . 25 TYR HB2 . 7094 1 175 . 1 1 25 25 TYR HB3 H 1 2.814 0.01 . 2 . . . . 25 TYR HB3 . 7094 1 176 . 1 1 25 25 TYR HD1 H 1 6.975 0.01 . 1 . . . . 25 TYR HD . 7094 1 177 . 1 1 25 25 TYR HD2 H 1 6.975 0.01 . 1 . . . . 25 TYR HD . 7094 1 178 . 1 1 25 25 TYR HE1 H 1 6.724 0.01 . 1 . . . . 25 TYR HE . 7094 1 179 . 1 1 25 25 TYR HE2 H 1 6.724 0.01 . 1 . . . . 25 TYR HE . 7094 1 180 . 1 1 25 25 TYR N N 15 120.09 0.26 . 1 . . . . 25 TYR N . 7094 1 181 . 1 1 26 26 GLU H H 1 7.526 0.01 . 1 . . . . 26 GLU H . 7094 1 182 . 1 1 26 26 GLU HA H 1 3.54 0.01 . 1 . . . . 26 GLU HA . 7094 1 183 . 1 1 26 26 GLU HB2 H 1 0.917 0.01 . 2 . . . . 26 GLU HB2 . 7094 1 184 . 1 1 26 26 GLU HB3 H 1 0.818 0.01 . 2 . . . . 26 GLU HB3 . 7094 1 185 . 1 1 26 26 GLU N N 15 119.88 0.26 . 1 . . . . 26 GLU N . 7094 1 186 . 1 1 27 27 ALA H H 1 8.408 0.01 . 1 . . . . 27 ALA H . 7094 1 187 . 1 1 27 27 ALA HA H 1 3.354 0.01 . 1 . . . . 27 ALA HA . 7094 1 188 . 1 1 27 27 ALA HB1 H 1 0.229 0.01 . 1 . . . . 27 ALA HB . 7094 1 189 . 1 1 27 27 ALA HB2 H 1 0.229 0.01 . 1 . . . . 27 ALA HB . 7094 1 190 . 1 1 27 27 ALA HB3 H 1 0.229 0.01 . 1 . . . . 27 ALA HB . 7094 1 191 . 1 1 27 27 ALA N N 15 120.37 0.26 . 1 . . . . 27 ALA N . 7094 1 192 . 1 1 28 28 LYS H H 1 8.173 0.01 . 1 . . . . 28 LYS H . 7094 1 193 . 1 1 28 28 LYS HA H 1 3.975 0.01 . 1 . . . . 28 LYS HA . 7094 1 194 . 1 1 28 28 LYS N N 15 117.37 0.26 . 1 . . . . 28 LYS N . 7094 1 195 . 1 1 29 29 ARG H H 1 7.416 0.01 . 1 . . . . 29 ARG H . 7094 1 196 . 1 1 29 29 ARG HA H 1 3.834 0.01 . 1 . . . . 29 ARG HA . 7094 1 197 . 1 1 29 29 ARG HB2 H 1 1.689 0.01 . 2 . . . . 29 ARG HB2 . 7094 1 198 . 1 1 29 29 ARG HB3 H 1 1.575 0.01 . 2 . . . . 29 ARG HB3 . 7094 1 199 . 1 1 29 29 ARG HD2 H 1 2.97 0.01 . 2 . . . . 29 ARG HD2 . 7094 1 200 . 1 1 29 29 ARG HD3 H 1 2.772 0.01 . 2 . . . . 29 ARG HD3 . 7094 1 201 . 1 1 29 29 ARG HE H 1 7.15 0.01 . 1 . . . . 29 ARG HE . 7094 1 202 . 1 1 29 29 ARG N N 15 121.7 0.26 . 1 . . . . 29 ARG N . 7094 1 203 . 1 1 29 29 ARG NE N 15 83.6 0.26 . 1 . . . . 29 ARG NE . 7094 1 204 . 1 1 30 30 LEU H H 1 7.346 0.01 . 1 . . . . 30 LEU H . 7094 1 205 . 1 1 30 30 LEU HA H 1 4.084 0.01 . 1 . . . . 30 LEU HA . 7094 1 206 . 1 1 30 30 LEU HG H 1 1.574 0.01 . 1 . . . . 30 LEU HG . 7094 1 207 . 1 1 30 30 LEU HD11 H 1 0.723 0.01 . 2 . . . . 30 LEU HD1 . 7094 1 208 . 1 1 30 30 LEU HD12 H 1 0.723 0.01 . 2 . . . . 30 LEU HD1 . 7094 1 209 . 1 1 30 30 LEU HD13 H 1 0.723 0.01 . 2 . . . . 30 LEU HD1 . 7094 1 210 . 1 1 30 30 LEU HD21 H 1 0.632 0.01 . 2 . . . . 30 LEU HD2 . 7094 1 211 . 1 1 30 30 LEU HD22 H 1 0.632 0.01 . 2 . . . . 30 LEU HD2 . 7094 1 212 . 1 1 30 30 LEU HD23 H 1 0.632 0.01 . 2 . . . . 30 LEU HD2 . 7094 1 213 . 1 1 30 30 LEU N N 15 117.67 0.26 . 1 . . . . 30 LEU N . 7094 1 214 . 1 1 31 31 GLY H H 1 7.662 0.01 . 1 . . . . 31 GLY H . 7094 1 215 . 1 1 31 31 GLY HA2 H 1 4.025 0.01 . 2 . . . . 31 GLY HA2 . 7094 1 216 . 1 1 31 31 GLY HA3 H 1 3.814 0.01 . 2 . . . . 31 GLY HA3 . 7094 1 217 . 1 1 31 31 GLY N N 15 108.14 0.26 . 1 . . . . 31 GLY N . 7094 1 218 . 1 1 32 32 LEU H H 1 7.99 0.01 . 1 . . . . 32 LEU H . 7094 1 219 . 1 1 32 32 LEU HA H 1 4.9 0.01 . 1 . . . . 32 LEU HA . 7094 1 220 . 1 1 32 32 LEU HG H 1 1.511 0.01 . 1 . . . . 32 LEU HG . 7094 1 221 . 1 1 32 32 LEU HD11 H 1 0.691 0.01 . 2 . . . . 32 LEU HD1 . 7094 1 222 . 1 1 32 32 LEU HD12 H 1 0.691 0.01 . 2 . . . . 32 LEU HD1 . 7094 1 223 . 1 1 32 32 LEU HD13 H 1 0.691 0.01 . 2 . . . . 32 LEU HD1 . 7094 1 224 . 1 1 32 32 LEU HD21 H 1 0.244 0.01 . 2 . . . . 32 LEU HD2 . 7094 1 225 . 1 1 32 32 LEU HD22 H 1 0.244 0.01 . 2 . . . . 32 LEU HD2 . 7094 1 226 . 1 1 32 32 LEU HD23 H 1 0.244 0.01 . 2 . . . . 32 LEU HD2 . 7094 1 227 . 1 1 32 32 LEU N N 15 119.55 0.26 . 1 . . . . 32 LEU N . 7094 1 228 . 1 1 33 33 THR H H 1 8.618 0.01 . 1 . . . . 33 THR H . 7094 1 229 . 1 1 33 33 THR HA H 1 4.442 0.01 . 1 . . . . 33 THR HA . 7094 1 230 . 1 1 33 33 THR HB H 1 3.996 0.01 . 1 . . . . 33 THR HB . 7094 1 231 . 1 1 33 33 THR HG21 H 1 0.926 0.01 . 1 . . . . 33 THR HG2 . 7094 1 232 . 1 1 33 33 THR HG22 H 1 0.926 0.01 . 1 . . . . 33 THR HG2 . 7094 1 233 . 1 1 33 33 THR HG23 H 1 0.926 0.01 . 1 . . . . 33 THR HG2 . 7094 1 234 . 1 1 33 33 THR N N 15 109.93 0.26 . 1 . . . . 33 THR N . 7094 1 235 . 1 1 34 34 GLY H H 1 8.604 0.01 . 1 . . . . 34 GLY H . 7094 1 236 . 1 1 34 34 GLY HA2 H 1 5.181 0.01 . 2 . . . . 34 GLY HA2 . 7094 1 237 . 1 1 34 34 GLY HA3 H 1 3.084 0.01 . 2 . . . . 34 GLY HA3 . 7094 1 238 . 1 1 34 34 GLY N N 15 104.56 0.26 . 1 . . . . 34 GLY N . 7094 1 239 . 1 1 35 35 TYR H H 1 8.265 0.01 . 1 . . . . 35 TYR H . 7094 1 240 . 1 1 35 35 TYR HA H 1 4.7 0.01 . 1 . . . . 35 TYR HA . 7094 1 241 . 1 1 35 35 TYR HB2 H 1 2.842 0.01 . 2 . . . . 35 TYR HB2 . 7094 1 242 . 1 1 35 35 TYR HB3 H 1 2.505 0.01 . 2 . . . . 35 TYR HB3 . 7094 1 243 . 1 1 35 35 TYR HD1 H 1 6.534 0.01 . 1 . . . . 35 TYR HD . 7094 1 244 . 1 1 35 35 TYR HD2 H 1 6.534 0.01 . 1 . . . . 35 TYR HD . 7094 1 245 . 1 1 35 35 TYR HE1 H 1 6.593 0.01 . 1 . . . . 35 TYR HE . 7094 1 246 . 1 1 35 35 TYR HE2 H 1 6.593 0.01 . 1 . . . . 35 TYR HE . 7094 1 247 . 1 1 35 35 TYR N N 15 119.5 0.26 . 1 . . . . 35 TYR N . 7094 1 248 . 1 1 36 36 ALA H H 1 7.869 0.01 . 1 . . . . 36 ALA H . 7094 1 249 . 1 1 36 36 ALA HA H 1 5.678 0.01 . 1 . . . . 36 ALA HA . 7094 1 250 . 1 1 36 36 ALA HB1 H 1 1.479 0.01 . 1 . . . . 36 ALA HB . 7094 1 251 . 1 1 36 36 ALA HB2 H 1 1.479 0.01 . 1 . . . . 36 ALA HB . 7094 1 252 . 1 1 36 36 ALA HB3 H 1 1.479 0.01 . 1 . . . . 36 ALA HB . 7094 1 253 . 1 1 36 36 ALA N N 15 118.64 0.26 . 1 . . . . 36 ALA N . 7094 1 254 . 1 1 37 37 LYS H H 1 9.655 0.01 . 1 . . . . 37 LYS H . 7094 1 255 . 1 1 37 37 LYS HA H 1 5.19 0.01 . 1 . . . . 37 LYS HA . 7094 1 256 . 1 1 37 37 LYS HB2 H 1 1.822 0.01 . 2 . . . . 37 LYS HB2 . 7094 1 257 . 1 1 37 37 LYS HB3 H 1 1.625 0.01 . 2 . . . . 37 LYS HB3 . 7094 1 258 . 1 1 37 37 LYS N N 15 123.88 0.26 . 1 . . . . 37 LYS N . 7094 1 259 . 1 1 38 38 ASN H H 1 8.659 0.01 . 1 . . . . 38 ASN H . 7094 1 260 . 1 1 38 38 ASN HA H 1 5.031 0.01 . 1 . . . . 38 ASN HA . 7094 1 261 . 1 1 38 38 ASN HB2 H 1 2.956 0.01 . 2 . . . . 38 ASN HB2 . 7094 1 262 . 1 1 38 38 ASN HB3 H 1 2.728 0.01 . 2 . . . . 38 ASN HB3 . 7094 1 263 . 1 1 38 38 ASN HD21 H 1 7.941 0.01 . 1 . . . . 38 ASN HD21 . 7094 1 264 . 1 1 38 38 ASN HD22 H 1 7.681 0.01 . 1 . . . . 38 ASN HD22 . 7094 1 265 . 1 1 38 38 ASN N N 15 125.8 0.26 . 1 . . . . 38 ASN N . 7094 1 266 . 1 1 38 38 ASN ND2 N 15 110.51 0.26 . 1 . . . . 38 ASN ND2 . 7094 1 267 . 1 1 39 39 LEU H H 1 8.31 0.01 . 1 . . . . 39 LEU H . 7094 1 268 . 1 1 39 39 LEU HA H 1 4.837 0.01 . 1 . . . . 39 LEU HA . 7094 1 269 . 1 1 39 39 LEU HB2 H 1 2.082 0.01 . 2 . . . . 39 LEU HB2 . 7094 1 270 . 1 1 39 39 LEU HB3 H 1 1.514 0.01 . 2 . . . . 39 LEU HB3 . 7094 1 271 . 1 1 39 39 LEU HG H 1 1.644 0.01 . 1 . . . . 39 LEU HG . 7094 1 272 . 1 1 39 39 LEU HD11 H 1 1.111 0.01 . 2 . . . . 39 LEU HD1 . 7094 1 273 . 1 1 39 39 LEU HD12 H 1 1.111 0.01 . 2 . . . . 39 LEU HD1 . 7094 1 274 . 1 1 39 39 LEU HD13 H 1 1.111 0.01 . 2 . . . . 39 LEU HD1 . 7094 1 275 . 1 1 39 39 LEU HD21 H 1 0.858 0.01 . 2 . . . . 39 LEU HD2 . 7094 1 276 . 1 1 39 39 LEU HD22 H 1 0.858 0.01 . 2 . . . . 39 LEU HD2 . 7094 1 277 . 1 1 39 39 LEU HD23 H 1 0.858 0.01 . 2 . . . . 39 LEU HD2 . 7094 1 278 . 1 1 39 39 LEU N N 15 122.52 0.26 . 1 . . . . 39 LEU N . 7094 1 279 . 1 1 40 40 ASP H H 1 8.673 0.01 . 1 . . . . 40 ASP H . 7094 1 280 . 1 1 40 40 ASP HA H 1 4.457 0.01 . 1 . . . . 40 ASP HA . 7094 1 281 . 1 1 40 40 ASP N N 15 120.54 0.26 . 1 . . . . 40 ASP N . 7094 1 282 . 1 1 41 41 ASP H H 1 7.603 0.01 . 1 . . . . 41 ASP H . 7094 1 283 . 1 1 41 41 ASP HA H 1 4.567 0.01 . 1 . . . . 41 ASP HA . 7094 1 284 . 1 1 41 41 ASP HB2 H 1 3.167 0.01 . 2 . . . . 41 ASP HB2 . 7094 1 285 . 1 1 41 41 ASP HB3 H 1 2.621 0.01 . 2 . . . . 41 ASP HB3 . 7094 1 286 . 1 1 41 41 ASP N N 15 116.78 0.26 . 1 . . . . 41 ASP N . 7094 1 287 . 1 1 42 42 GLY H H 1 7.816 0.01 . 1 . . . . 42 GLY H . 7094 1 288 . 1 1 42 42 GLY HA2 H 1 4.45 0.01 . 2 . . . . 42 GLY HA2 . 7094 1 289 . 1 1 42 42 GLY HA3 H 1 3.542 0.01 . 2 . . . . 42 GLY HA3 . 7094 1 290 . 1 1 42 42 GLY N N 15 107.52 0.26 . 1 . . . . 42 GLY N . 7094 1 291 . 1 1 43 43 SER H H 1 8.015 0.01 . 1 . . . . 43 SER H . 7094 1 292 . 1 1 43 43 SER HA H 1 4.687 0.01 . 1 . . . . 43 SER HA . 7094 1 293 . 1 1 43 43 SER N N 15 118.61 0.26 . 1 . . . . 43 SER N . 7094 1 294 . 1 1 44 44 VAL H H 1 8.245 0.01 . 1 . . . . 44 VAL H . 7094 1 295 . 1 1 44 44 VAL HA H 1 4.842 0.01 . 1 . . . . 44 VAL HA . 7094 1 296 . 1 1 44 44 VAL HB H 1 1.405 0.01 . 1 . . . . 44 VAL HB . 7094 1 297 . 1 1 44 44 VAL HG11 H 1 0.833 0.01 . 2 . . . . 44 VAL HG1 . 7094 1 298 . 1 1 44 44 VAL HG12 H 1 0.833 0.01 . 2 . . . . 44 VAL HG1 . 7094 1 299 . 1 1 44 44 VAL HG13 H 1 0.833 0.01 . 2 . . . . 44 VAL HG1 . 7094 1 300 . 1 1 44 44 VAL HG21 H 1 0.769 0.01 . 2 . . . . 44 VAL HG2 . 7094 1 301 . 1 1 44 44 VAL HG22 H 1 0.769 0.01 . 2 . . . . 44 VAL HG2 . 7094 1 302 . 1 1 44 44 VAL HG23 H 1 0.769 0.01 . 2 . . . . 44 VAL HG2 . 7094 1 303 . 1 1 44 44 VAL N N 15 119.94 0.26 . 1 . . . . 44 VAL N . 7094 1 304 . 1 1 45 45 GLU H H 1 9.229 0.01 . 1 . . . . 45 GLU H . 7094 1 305 . 1 1 45 45 GLU HA H 1 4.984 0.01 . 1 . . . . 45 GLU HA . 7094 1 306 . 1 1 45 45 GLU N N 15 128.52 0.26 . 1 . . . . 45 GLU N . 7094 1 307 . 1 1 46 46 VAL H H 1 9.408 0.01 . 1 . . . . 46 VAL H . 7094 1 308 . 1 1 46 46 VAL HA H 1 4.847 0.01 . 1 . . . . 46 VAL HA . 7094 1 309 . 1 1 46 46 VAL HB H 1 1.736 0.01 . 1 . . . . 46 VAL HB . 7094 1 310 . 1 1 46 46 VAL HG11 H 1 0.974 0.01 . 2 . . . . 46 VAL HG1 . 7094 1 311 . 1 1 46 46 VAL HG12 H 1 0.974 0.01 . 2 . . . . 46 VAL HG1 . 7094 1 312 . 1 1 46 46 VAL HG13 H 1 0.974 0.01 . 2 . . . . 46 VAL HG1 . 7094 1 313 . 1 1 46 46 VAL HG21 H 1 0.81 0.01 . 2 . . . . 46 VAL HG2 . 7094 1 314 . 1 1 46 46 VAL HG22 H 1 0.81 0.01 . 2 . . . . 46 VAL HG2 . 7094 1 315 . 1 1 46 46 VAL HG23 H 1 0.81 0.01 . 2 . . . . 46 VAL HG2 . 7094 1 316 . 1 1 46 46 VAL N N 15 128.2 0.26 . 1 . . . . 46 VAL N . 7094 1 317 . 1 1 47 47 VAL H H 1 8.178 0.01 . 1 . . . . 47 VAL H . 7094 1 318 . 1 1 47 47 VAL HA H 1 4.471 0.01 . 1 . . . . 47 VAL HA . 7094 1 319 . 1 1 47 47 VAL HB H 1 0.571 0.01 . 1 . . . . 47 VAL HB . 7094 1 320 . 1 1 47 47 VAL HG11 H 1 0.441 0.01 . 2 . . . . 47 VAL HG1 . 7094 1 321 . 1 1 47 47 VAL HG12 H 1 0.441 0.01 . 2 . . . . 47 VAL HG1 . 7094 1 322 . 1 1 47 47 VAL HG13 H 1 0.441 0.01 . 2 . . . . 47 VAL HG1 . 7094 1 323 . 1 1 47 47 VAL HG21 H 1 0.204 0.01 . 2 . . . . 47 VAL HG2 . 7094 1 324 . 1 1 47 47 VAL HG22 H 1 0.204 0.01 . 2 . . . . 47 VAL HG2 . 7094 1 325 . 1 1 47 47 VAL HG23 H 1 0.204 0.01 . 2 . . . . 47 VAL HG2 . 7094 1 326 . 1 1 47 47 VAL N N 15 126.65 0.26 . 1 . . . . 47 VAL N . 7094 1 327 . 1 1 48 48 ALA H H 1 8.336 0.01 . 1 . . . . 48 ALA H . 7094 1 328 . 1 1 48 48 ALA HA H 1 5.54 0.01 . 1 . . . . 48 ALA HA . 7094 1 329 . 1 1 48 48 ALA HB1 H 1 1.162 0.01 . 1 . . . . 48 ALA HB . 7094 1 330 . 1 1 48 48 ALA HB2 H 1 1.162 0.01 . 1 . . . . 48 ALA HB . 7094 1 331 . 1 1 48 48 ALA HB3 H 1 1.162 0.01 . 1 . . . . 48 ALA HB . 7094 1 332 . 1 1 48 48 ALA N N 15 126.35 0.26 . 1 . . . . 48 ALA N . 7094 1 333 . 1 1 50 50 GLY H H 1 8.92 0.01 . 1 . . . . 50 GLY H . 7094 1 334 . 1 1 50 50 GLY HA2 H 1 4.314 0.01 . 2 . . . . 50 GLY HA2 . 7094 1 335 . 1 1 50 50 GLY HA3 H 1 3.926 0.01 . 2 . . . . 50 GLY HA3 . 7094 1 336 . 1 1 50 50 GLY N N 15 108.15 0.26 . 1 . . . . 50 GLY N . 7094 1 337 . 1 1 51 51 GLU H H 1 8.529 0.01 . 1 . . . . 51 GLU H . 7094 1 338 . 1 1 51 51 GLU HA H 1 4.359 0.01 . 1 . . . . 51 GLU HA . 7094 1 339 . 1 1 51 51 GLU N N 15 122.48 0.26 . 1 . . . . 51 GLU N . 7094 1 340 . 1 1 52 52 GLU H H 1 9.073 0.01 . 1 . . . . 52 GLU H . 7094 1 341 . 1 1 52 52 GLU HA H 1 3.732 0.01 . 1 . . . . 52 GLU HA . 7094 1 342 . 1 1 52 52 GLU HB2 H 1 2.139 0.01 . 2 . . . . 52 GLU HB2 . 7094 1 343 . 1 1 52 52 GLU HB3 H 1 2.061 0.01 . 2 . . . . 52 GLU HB3 . 7094 1 344 . 1 1 52 52 GLU N N 15 125.94 0.26 . 1 . . . . 52 GLU N . 7094 1 345 . 1 1 53 53 GLY H H 1 8.936 0.01 . 1 . . . . 53 GLY H . 7094 1 346 . 1 1 53 53 GLY HA2 H 1 3.97 0.01 . 2 . . . . 53 GLY HA2 . 7094 1 347 . 1 1 53 53 GLY HA3 H 1 3.857 0.01 . 2 . . . . 53 GLY HA3 . 7094 1 348 . 1 1 53 53 GLY N N 15 105.6 0.26 . 1 . . . . 53 GLY N . 7094 1 349 . 1 1 54 54 GLN H H 1 7.391 0.01 . 1 . . . . 54 GLN H . 7094 1 350 . 1 1 54 54 GLN HA H 1 4.265 0.01 . 1 . . . . 54 GLN HA . 7094 1 351 . 1 1 54 54 GLN HB2 H 1 2.33 0.01 . 2 . . . . 54 GLN HB2 . 7094 1 352 . 1 1 54 54 GLN HB3 H 1 2.15 0.01 . 2 . . . . 54 GLN HB3 . 7094 1 353 . 1 1 54 54 GLN HE21 H 1 7.769 0.01 . 1 . . . . 54 GLN HE21 . 7094 1 354 . 1 1 54 54 GLN HE22 H 1 6.933 0.01 . 1 . . . . 54 GLN HE22 . 7094 1 355 . 1 1 54 54 GLN N N 15 119.86 0.26 . 1 . . . . 54 GLN N . 7094 1 356 . 1 1 54 54 GLN NE2 N 15 112.49 0.26 . 1 . . . . 54 GLN NE2 . 7094 1 357 . 1 1 55 55 VAL H H 1 8.073 0.01 . 1 . . . . 55 VAL H . 7094 1 358 . 1 1 55 55 VAL HA H 1 3.304 0.01 . 1 . . . . 55 VAL HA . 7094 1 359 . 1 1 55 55 VAL HB H 1 1.992 0.01 . 1 . . . . 55 VAL HB . 7094 1 360 . 1 1 55 55 VAL N N 15 121.28 0.26 . 1 . . . . 55 VAL N . 7094 1 361 . 1 1 56 56 GLU H H 1 8.131 0.01 . 1 . . . . 56 GLU H . 7094 1 362 . 1 1 56 56 GLU HA H 1 3.969 0.01 . 1 . . . . 56 GLU HA . 7094 1 363 . 1 1 56 56 GLU HB2 H 1 2.102 0.01 . 2 . . . . 56 GLU HB2 . 7094 1 364 . 1 1 56 56 GLU HB3 H 1 2.037 0.01 . 2 . . . . 56 GLU HB3 . 7094 1 365 . 1 1 56 56 GLU HG2 H 1 2.406 0.01 . 2 . . . . 56 GLU HG2 . 7094 1 366 . 1 1 56 56 GLU HG3 H 1 2.325 0.01 . 2 . . . . 56 GLU HG3 . 7094 1 367 . 1 1 56 56 GLU N N 15 118.12 0.26 . 1 . . . . 56 GLU N . 7094 1 368 . 1 1 57 57 LYS H H 1 7.318 0.01 . 1 . . . . 57 LYS H . 7094 1 369 . 1 1 57 57 LYS HA H 1 4.037 0.01 . 1 . . . . 57 LYS HA . 7094 1 370 . 1 1 57 57 LYS HB2 H 1 2.081 0.01 . 2 . . . . 57 LYS HB2 . 7094 1 371 . 1 1 57 57 LYS HB3 H 1 1.836 0.01 . 2 . . . . 57 LYS HB3 . 7094 1 372 . 1 1 57 57 LYS N N 15 119.22 0.26 . 1 . . . . 57 LYS N . 7094 1 373 . 1 1 58 58 LEU H H 1 7.535 0.01 . 1 . . . . 58 LEU H . 7094 1 374 . 1 1 58 58 LEU HA H 1 4.015 0.01 . 1 . . . . 58 LEU HA . 7094 1 375 . 1 1 58 58 LEU HG H 1 1.629 0.01 . 1 . . . . 58 LEU HG . 7094 1 376 . 1 1 58 58 LEU HD11 H 1 1.22 0.01 . 2 . . . . 58 LEU HD1 . 7094 1 377 . 1 1 58 58 LEU HD12 H 1 1.22 0.01 . 2 . . . . 58 LEU HD1 . 7094 1 378 . 1 1 58 58 LEU HD13 H 1 1.22 0.01 . 2 . . . . 58 LEU HD1 . 7094 1 379 . 1 1 58 58 LEU HD21 H 1 0.575 0.01 . 2 . . . . 58 LEU HD2 . 7094 1 380 . 1 1 58 58 LEU HD22 H 1 0.575 0.01 . 2 . . . . 58 LEU HD2 . 7094 1 381 . 1 1 58 58 LEU HD23 H 1 0.575 0.01 . 2 . . . . 58 LEU HD2 . 7094 1 382 . 1 1 58 58 LEU N N 15 122.58 0.26 . 1 . . . . 58 LEU N . 7094 1 383 . 1 1 59 59 MET H H 1 8.184 0.01 . 1 . . . . 59 MET H . 7094 1 384 . 1 1 59 59 MET HA H 1 4.383 0.01 . 1 . . . . 59 MET HA . 7094 1 385 . 1 1 59 59 MET HB2 H 1 2.248 0.01 . 2 . . . . 59 MET HB2 . 7094 1 386 . 1 1 59 59 MET HB3 H 1 1.9 0.01 . 2 . . . . 59 MET HB3 . 7094 1 387 . 1 1 59 59 MET HG2 H 1 2.742 0.01 . 2 . . . . 59 MET HG2 . 7094 1 388 . 1 1 59 59 MET HG3 H 1 2.423 0.01 . 2 . . . . 59 MET HG3 . 7094 1 389 . 1 1 59 59 MET N N 15 118.01 0.26 . 1 . . . . 59 MET N . 7094 1 390 . 1 1 60 60 GLN H H 1 8.466 0.01 . 1 . . . . 60 GLN H . 7094 1 391 . 1 1 60 60 GLN HA H 1 4.002 0.01 . 1 . . . . 60 GLN HA . 7094 1 392 . 1 1 60 60 GLN HG2 H 1 2.519 0.01 . 2 . . . . 60 GLN HG2 . 7094 1 393 . 1 1 60 60 GLN HG3 H 1 2.444 0.01 . 2 . . . . 60 GLN HG3 . 7094 1 394 . 1 1 60 60 GLN HE21 H 1 7.492 0.01 . 1 . . . . 60 GLN HE21 . 7094 1 395 . 1 1 60 60 GLN HE22 H 1 6.754 0.01 . 1 . . . . 60 GLN HE22 . 7094 1 396 . 1 1 60 60 GLN N N 15 119.16 0.26 . 1 . . . . 60 GLN N . 7094 1 397 . 1 1 60 60 GLN NE2 N 15 111.74 0.26 . 1 . . . . 60 GLN NE2 . 7094 1 398 . 1 1 61 61 TRP H H 1 8.021 0.01 . 1 . . . . 61 TRP H . 7094 1 399 . 1 1 61 61 TRP HA H 1 4.143 0.01 . 1 . . . . 61 TRP HA . 7094 1 400 . 1 1 61 61 TRP HB2 H 1 3.713 0.01 . 2 . . . . 61 TRP HB2 . 7094 1 401 . 1 1 61 61 TRP HB3 H 1 3.268 0.01 . 2 . . . . 61 TRP HB3 . 7094 1 402 . 1 1 61 61 TRP HD1 H 1 7.208 0.01 . 1 . . . . 61 TRP HD1 . 7094 1 403 . 1 1 61 61 TRP HE1 H 1 9.854 0.01 . 1 . . . . 61 TRP HE1 . 7094 1 404 . 1 1 61 61 TRP HE3 H 1 7.373 0.01 . 1 . . . . 61 TRP HE3 . 7094 1 405 . 1 1 61 61 TRP HZ2 H 1 7.015 0.01 . 1 . . . . 61 TRP HZ2 . 7094 1 406 . 1 1 61 61 TRP HZ3 H 1 6.915 0.01 . 1 . . . . 61 TRP HZ3 . 7094 1 407 . 1 1 61 61 TRP HH2 H 1 6.532 0.01 . 1 . . . . 61 TRP HH2 . 7094 1 408 . 1 1 61 61 TRP N N 15 123.53 0.26 . 1 . . . . 61 TRP N . 7094 1 409 . 1 1 61 61 TRP NE1 N 15 130.48 0.26 . 1 . . . . 61 TRP NE1 . 7094 1 410 . 1 1 62 62 LEU H H 1 8.716 0.01 . 1 . . . . 62 LEU H . 7094 1 411 . 1 1 62 62 LEU HA H 1 3.522 0.01 . 1 . . . . 62 LEU HA . 7094 1 412 . 1 1 62 62 LEU HG H 1 1.049 0.01 . 1 . . . . 62 LEU HG . 7094 1 413 . 1 1 62 62 LEU N N 15 120.09 0.26 . 1 . . . . 62 LEU N . 7094 1 414 . 1 1 63 63 LYS H H 1 8.121 0.01 . 1 . . . . 63 LYS H . 7094 1 415 . 1 1 63 63 LYS HA H 1 3.865 0.01 . 1 . . . . 63 LYS HA . 7094 1 416 . 1 1 63 63 LYS HB2 H 1 1.89 0.01 . 2 . . . . 63 LYS HB2 . 7094 1 417 . 1 1 63 63 LYS HB3 H 1 1.801 0.01 . 2 . . . . 63 LYS HB3 . 7094 1 418 . 1 1 63 63 LYS N N 15 115.6 0.26 . 1 . . . . 63 LYS N . 7094 1 419 . 1 1 64 64 SER H H 1 7.717 0.01 . 1 . . . . 64 SER H . 7094 1 420 . 1 1 64 64 SER HA H 1 4.437 0.01 . 1 . . . . 64 SER HA . 7094 1 421 . 1 1 64 64 SER HB2 H 1 3.971 0.01 . 2 . . . . 64 SER HB2 . 7094 1 422 . 1 1 64 64 SER HB3 H 1 3.921 0.01 . 2 . . . . 64 SER HB3 . 7094 1 423 . 1 1 64 64 SER N N 15 113.21 0.26 . 1 . . . . 64 SER N . 7094 1 424 . 1 1 65 65 GLY H H 1 7.711 0.01 . 1 . . . . 65 GLY H . 7094 1 425 . 1 1 65 65 GLY HA2 H 1 4.171 0.01 . 2 . . . . 65 GLY HA2 . 7094 1 426 . 1 1 65 65 GLY HA3 H 1 3.372 0.01 . 2 . . . . 65 GLY HA3 . 7094 1 427 . 1 1 65 65 GLY N N 15 109.4 0.26 . 1 . . . . 65 GLY N . 7094 1 428 . 1 1 66 66 GLY H H 1 7.352 0.01 . 1 . . . . 66 GLY H . 7094 1 429 . 1 1 66 66 GLY HA2 H 1 2.689 0.01 . 2 . . . . 66 GLY HA2 . 7094 1 430 . 1 1 66 66 GLY HA3 H 1 1.452 0.01 . 2 . . . . 66 GLY HA3 . 7094 1 431 . 1 1 66 66 GLY N N 15 107.44 0.26 . 1 . . . . 66 GLY N . 7094 1 432 . 1 1 67 67 PRO HA H 1 4.077 0.01 . 1 . . . . 67 PRO HA . 7094 1 433 . 1 1 68 68 ARG H H 1 8.399 0.01 . 1 . . . . 68 ARG H . 7094 1 434 . 1 1 68 68 ARG HA H 1 4.075 0.01 . 1 . . . . 68 ARG HA . 7094 1 435 . 1 1 68 68 ARG HE H 1 7.134 0.01 . 1 . . . . 68 ARG HE . 7094 1 436 . 1 1 68 68 ARG N N 15 121.56 0.26 . 1 . . . . 68 ARG N . 7094 1 437 . 1 1 68 68 ARG NE N 15 85.03 0.26 . 1 . . . . 68 ARG NE . 7094 1 438 . 1 1 69 69 SER H H 1 7.845 0.01 . 1 . . . . 69 SER H . 7094 1 439 . 1 1 69 69 SER HA H 1 4.276 0.01 . 1 . . . . 69 SER HA . 7094 1 440 . 1 1 69 69 SER HB2 H 1 4.037 0.01 . 2 . . . . 69 SER HB2 . 7094 1 441 . 1 1 69 69 SER HB3 H 1 3.894 0.01 . 2 . . . . 69 SER HB3 . 7094 1 442 . 1 1 69 69 SER N N 15 110.48 0.26 . 1 . . . . 69 SER N . 7094 1 443 . 1 1 70 70 ALA H H 1 7.676 0.01 . 1 . . . . 70 ALA H . 7094 1 444 . 1 1 70 70 ALA HA H 1 4.68 0.01 . 1 . . . . 70 ALA HA . 7094 1 445 . 1 1 70 70 ALA HB1 H 1 1.525 0.01 . 1 . . . . 70 ALA HB . 7094 1 446 . 1 1 70 70 ALA HB2 H 1 1.525 0.01 . 1 . . . . 70 ALA HB . 7094 1 447 . 1 1 70 70 ALA HB3 H 1 1.525 0.01 . 1 . . . . 70 ALA HB . 7094 1 448 . 1 1 70 70 ALA N N 15 123.71 0.26 . 1 . . . . 70 ALA N . 7094 1 449 . 1 1 71 71 ARG H H 1 8.016 0.01 . 1 . . . . 71 ARG H . 7094 1 450 . 1 1 71 71 ARG HA H 1 4.614 0.01 . 1 . . . . 71 ARG HA . 7094 1 451 . 1 1 71 71 ARG HB2 H 1 1.834 0.01 . 2 . . . . 71 ARG HB2 . 7094 1 452 . 1 1 71 71 ARG HB3 H 1 1.706 0.01 . 2 . . . . 71 ARG HB3 . 7094 1 453 . 1 1 71 71 ARG HE H 1 7.305 0.01 . 1 . . . . 71 ARG HE . 7094 1 454 . 1 1 71 71 ARG N N 15 120.48 0.26 . 1 . . . . 71 ARG N . 7094 1 455 . 1 1 71 71 ARG NE N 15 85.15 0.26 . 1 . . . . 71 ARG NE . 7094 1 456 . 1 1 72 72 VAL H H 1 8.873 0.01 . 1 . . . . 72 VAL H . 7094 1 457 . 1 1 72 72 VAL HA H 1 3.71 0.01 . 1 . . . . 72 VAL HA . 7094 1 458 . 1 1 72 72 VAL HB H 1 1.854 0.01 . 1 . . . . 72 VAL HB . 7094 1 459 . 1 1 72 72 VAL HG11 H 1 0.761 0.01 . 2 . . . . 72 VAL HG1 . 7094 1 460 . 1 1 72 72 VAL HG12 H 1 0.761 0.01 . 2 . . . . 72 VAL HG1 . 7094 1 461 . 1 1 72 72 VAL HG13 H 1 0.761 0.01 . 2 . . . . 72 VAL HG1 . 7094 1 462 . 1 1 72 72 VAL HG21 H 1 0.719 0.01 . 2 . . . . 72 VAL HG2 . 7094 1 463 . 1 1 72 72 VAL HG22 H 1 0.719 0.01 . 2 . . . . 72 VAL HG2 . 7094 1 464 . 1 1 72 72 VAL HG23 H 1 0.719 0.01 . 2 . . . . 72 VAL HG2 . 7094 1 465 . 1 1 72 72 VAL N N 15 128.05 0.26 . 1 . . . . 72 VAL N . 7094 1 466 . 1 1 73 73 GLU H H 1 9.599 0.01 . 1 . . . . 73 GLU H . 7094 1 467 . 1 1 73 73 GLU HA H 1 4.379 0.01 . 1 . . . . 73 GLU HA . 7094 1 468 . 1 1 73 73 GLU HB2 H 1 1.99 0.01 . 2 . . . . 73 GLU HB2 . 7094 1 469 . 1 1 73 73 GLU HB3 H 1 1.794 0.01 . 2 . . . . 73 GLU HB3 . 7094 1 470 . 1 1 73 73 GLU N N 15 128.42 0.26 . 1 . . . . 73 GLU N . 7094 1 471 . 1 1 74 74 ARG H H 1 7.603 0.01 . 1 . . . . 74 ARG H . 7094 1 472 . 1 1 74 74 ARG HA H 1 4.591 0.01 . 1 . . . . 74 ARG HA . 7094 1 473 . 1 1 74 74 ARG HG2 H 1 1.518 0.01 . 2 . . . . 74 ARG HG2 . 7094 1 474 . 1 1 74 74 ARG HG3 H 1 1.454 0.01 . 2 . . . . 74 ARG HG3 . 7094 1 475 . 1 1 74 74 ARG HE H 1 6.856 0.01 . 1 . . . . 74 ARG HE . 7094 1 476 . 1 1 74 74 ARG N N 15 116.39 0.26 . 1 . . . . 74 ARG N . 7094 1 477 . 1 1 74 74 ARG NE N 15 84.1 0.26 . 1 . . . . 74 ARG NE . 7094 1 478 . 1 1 75 75 VAL H H 1 8.521 0.01 . 1 . . . . 75 VAL H . 7094 1 479 . 1 1 75 75 VAL HA H 1 5.14 0.01 . 1 . . . . 75 VAL HA . 7094 1 480 . 1 1 75 75 VAL HB H 1 1.911 0.01 . 1 . . . . 75 VAL HB . 7094 1 481 . 1 1 75 75 VAL HG11 H 1 0.85 0.01 . 2 . . . . 75 VAL HG1 . 7094 1 482 . 1 1 75 75 VAL HG12 H 1 0.85 0.01 . 2 . . . . 75 VAL HG1 . 7094 1 483 . 1 1 75 75 VAL HG13 H 1 0.85 0.01 . 2 . . . . 75 VAL HG1 . 7094 1 484 . 1 1 75 75 VAL HG21 H 1 0.794 0.01 . 2 . . . . 75 VAL HG2 . 7094 1 485 . 1 1 75 75 VAL HG22 H 1 0.794 0.01 . 2 . . . . 75 VAL HG2 . 7094 1 486 . 1 1 75 75 VAL HG23 H 1 0.794 0.01 . 2 . . . . 75 VAL HG2 . 7094 1 487 . 1 1 75 75 VAL N N 15 122.61 0.26 . 1 . . . . 75 VAL N . 7094 1 488 . 1 1 76 76 LEU H H 1 9.263 0.01 . 1 . . . . 76 LEU H . 7094 1 489 . 1 1 76 76 LEU HA H 1 5.03 0.01 . 1 . . . . 76 LEU HA . 7094 1 490 . 1 1 76 76 LEU HB2 H 1 2.139 0.01 . 2 . . . . 76 LEU HB2 . 7094 1 491 . 1 1 76 76 LEU HB3 H 1 2.054 0.01 . 2 . . . . 76 LEU HB3 . 7094 1 492 . 1 1 76 76 LEU HG H 1 1.836 0.01 . 1 . . . . 76 LEU HG . 7094 1 493 . 1 1 76 76 LEU HD11 H 1 1.031 0.01 . 2 . . . . 76 LEU HD1 . 7094 1 494 . 1 1 76 76 LEU HD12 H 1 1.031 0.01 . 2 . . . . 76 LEU HD1 . 7094 1 495 . 1 1 76 76 LEU HD13 H 1 1.031 0.01 . 2 . . . . 76 LEU HD1 . 7094 1 496 . 1 1 76 76 LEU HD21 H 1 0.811 0.01 . 2 . . . . 76 LEU HD2 . 7094 1 497 . 1 1 76 76 LEU HD22 H 1 0.811 0.01 . 2 . . . . 76 LEU HD2 . 7094 1 498 . 1 1 76 76 LEU HD23 H 1 0.811 0.01 . 2 . . . . 76 LEU HD2 . 7094 1 499 . 1 1 76 76 LEU N N 15 131.04 0.26 . 1 . . . . 76 LEU N . 7094 1 500 . 1 1 77 77 SER H H 1 8.628 0.01 . 1 . . . . 77 SER H . 7094 1 501 . 1 1 77 77 SER HA H 1 5.794 0.01 . 1 . . . . 77 SER HA . 7094 1 502 . 1 1 77 77 SER HB2 H 1 3.795 0.01 . 2 . . . . 77 SER HB2 . 7094 1 503 . 1 1 77 77 SER HB3 H 1 3.604 0.01 . 2 . . . . 77 SER HB3 . 7094 1 504 . 1 1 77 77 SER N N 15 115.68 0.26 . 1 . . . . 77 SER N . 7094 1 505 . 1 1 78 78 GLU H H 1 9.088 0.01 . 1 . . . . 78 GLU H . 7094 1 506 . 1 1 78 78 GLU HA H 1 5.034 0.01 . 1 . . . . 78 GLU HA . 7094 1 507 . 1 1 78 78 GLU HG2 H 1 2.438 0.01 . 2 . . . . 78 GLU HG2 . 7094 1 508 . 1 1 78 78 GLU HG3 H 1 2.396 0.01 . 2 . . . . 78 GLU HG3 . 7094 1 509 . 1 1 78 78 GLU N N 15 119.06 0.26 . 1 . . . . 78 GLU N . 7094 1 510 . 1 1 79 79 PRO HA H 1 4.645 0.01 . 1 . . . . 79 PRO HA . 7094 1 511 . 1 1 79 79 PRO HD2 H 1 3.87 0.01 . 2 . . . . 79 PRO HD2 . 7094 1 512 . 1 1 79 79 PRO HD3 H 1 3.751 0.01 . 2 . . . . 79 PRO HD3 . 7094 1 513 . 1 1 80 80 HIS H H 1 7.829 0.01 . 1 . . . . 80 HIS H . 7094 1 514 . 1 1 80 80 HIS HA H 1 4.855 0.01 . 1 . . . . 80 HIS HA . 7094 1 515 . 1 1 80 80 HIS HB2 H 1 2.821 0.01 . 2 . . . . 80 HIS HB2 . 7094 1 516 . 1 1 80 80 HIS HB3 H 1 2.252 0.01 . 2 . . . . 80 HIS HB3 . 7094 1 517 . 1 1 80 80 HIS HD2 H 1 6.313 0.01 . 1 . . . . 80 HIS HD2 . 7094 1 518 . 1 1 80 80 HIS HE1 H 1 8.005 0.01 . 1 . . . . 80 HIS HE1 . 7094 1 519 . 1 1 80 80 HIS N N 15 120.73 0.26 . 1 . . . . 80 HIS N . 7094 1 520 . 1 1 81 81 HIS H H 1 8.089 0.01 . 1 . . . . 81 HIS H . 7094 1 521 . 1 1 81 81 HIS HA H 1 4.926 0.01 . 1 . . . . 81 HIS HA . 7094 1 522 . 1 1 81 81 HIS HB2 H 1 3.01 0.01 . 2 . . . . 81 HIS HB2 . 7094 1 523 . 1 1 81 81 HIS HB3 H 1 2.957 0.01 . 2 . . . . 81 HIS HB3 . 7094 1 524 . 1 1 81 81 HIS HD2 H 1 7.196 0.01 . 1 . . . . 81 HIS HD2 . 7094 1 525 . 1 1 81 81 HIS HE1 H 1 8.522 0.01 . 1 . . . . 81 HIS HE1 . 7094 1 526 . 1 1 81 81 HIS N N 15 125.1 0.26 . 1 . . . . 81 HIS N . 7094 1 527 . 1 1 82 82 PRO HA H 1 4.351 0.01 . 1 . . . . 82 PRO HA . 7094 1 528 . 1 1 82 82 PRO HB2 H 1 2.225 0.01 . 2 . . . . 82 PRO HB2 . 7094 1 529 . 1 1 82 82 PRO HB3 H 1 1.89 0.01 . 2 . . . . 82 PRO HB3 . 7094 1 530 . 1 1 82 82 PRO HG2 H 1 2.109 0.01 . 2 . . . . 82 PRO HG2 . 7094 1 531 . 1 1 82 82 PRO HG3 H 1 2.034 0.01 . 2 . . . . 82 PRO HG3 . 7094 1 532 . 1 1 82 82 PRO HD2 H 1 3.639 0.01 . 2 . . . . 82 PRO HD2 . 7094 1 533 . 1 1 82 82 PRO HD3 H 1 3.358 0.01 . 2 . . . . 82 PRO HD3 . 7094 1 534 . 1 1 83 83 SER H H 1 8.602 0.01 . 1 . . . . 83 SER H . 7094 1 535 . 1 1 83 83 SER HA H 1 4.647 0.01 . 1 . . . . 83 SER HA . 7094 1 536 . 1 1 83 83 SER HB2 H 1 4.376 0.01 . 2 . . . . 83 SER HB2 . 7094 1 537 . 1 1 83 83 SER HB3 H 1 3.876 0.01 . 2 . . . . 83 SER HB3 . 7094 1 538 . 1 1 83 83 SER N N 15 117.01 0.26 . 1 . . . . 83 SER N . 7094 1 539 . 1 1 84 84 GLY H H 1 7.807 0.01 . 1 . . . . 84 GLY H . 7094 1 540 . 1 1 84 84 GLY HA2 H 1 4.027 0.01 . 2 . . . . 84 GLY HA2 . 7094 1 541 . 1 1 84 84 GLY HA3 H 1 3.849 0.01 . 2 . . . . 84 GLY HA3 . 7094 1 542 . 1 1 84 84 GLY N N 15 110.53 0.26 . 1 . . . . 84 GLY N . 7094 1 543 . 1 1 85 85 GLU H H 1 8.271 0.01 . 1 . . . . 85 GLU H . 7094 1 544 . 1 1 85 85 GLU HA H 1 4.226 0.01 . 1 . . . . 85 GLU HA . 7094 1 545 . 1 1 85 85 GLU N N 15 120.12 0.26 . 1 . . . . 85 GLU N . 7094 1 546 . 1 1 86 86 LEU H H 1 8.404 0.01 . 1 . . . . 86 LEU H . 7094 1 547 . 1 1 86 86 LEU HA H 1 4.694 0.01 . 1 . . . . 86 LEU HA . 7094 1 548 . 1 1 86 86 LEU HG H 1 1.514 0.01 . 1 . . . . 86 LEU HG . 7094 1 549 . 1 1 86 86 LEU N N 15 126.14 0.26 . 1 . . . . 86 LEU N . 7094 1 550 . 1 1 87 87 THR H H 1 8.533 0.01 . 1 . . . . 87 THR H . 7094 1 551 . 1 1 87 87 THR HA H 1 4.46 0.01 . 1 . . . . 87 THR HA . 7094 1 552 . 1 1 87 87 THR HB H 1 4.347 0.01 . 1 . . . . 87 THR HB . 7094 1 553 . 1 1 87 87 THR HG21 H 1 1.109 0.01 . 1 . . . . 87 THR HG2 . 7094 1 554 . 1 1 87 87 THR HG22 H 1 1.109 0.01 . 1 . . . . 87 THR HG2 . 7094 1 555 . 1 1 87 87 THR HG23 H 1 1.109 0.01 . 1 . . . . 87 THR HG2 . 7094 1 556 . 1 1 87 87 THR N N 15 113.5 0.26 . 1 . . . . 87 THR N . 7094 1 557 . 1 1 88 88 ASP H H 1 8.165 0.01 . 1 . . . . 88 ASP H . 7094 1 558 . 1 1 88 88 ASP HA H 1 4.625 0.01 . 1 . . . . 88 ASP HA . 7094 1 559 . 1 1 88 88 ASP N N 15 122.24 0.26 . 1 . . . . 88 ASP N . 7094 1 560 . 1 1 89 89 PHE H H 1 9.112 0.01 . 1 . . . . 89 PHE H . 7094 1 561 . 1 1 89 89 PHE HA H 1 5.125 0.01 . 1 . . . . 89 PHE HA . 7094 1 562 . 1 1 89 89 PHE HB2 H 1 3.112 0.01 . 2 . . . . 89 PHE HB2 . 7094 1 563 . 1 1 89 89 PHE HB3 H 1 2.666 0.01 . 2 . . . . 89 PHE HB3 . 7094 1 564 . 1 1 89 89 PHE HD1 H 1 6.551 0.01 . 1 . . . . 89 PHE HD . 7094 1 565 . 1 1 89 89 PHE HD2 H 1 6.551 0.01 . 1 . . . . 89 PHE HD . 7094 1 566 . 1 1 89 89 PHE HE1 H 1 6.947 0.01 . 1 . . . . 89 PHE HE . 7094 1 567 . 1 1 89 89 PHE HE2 H 1 6.947 0.01 . 1 . . . . 89 PHE HE . 7094 1 568 . 1 1 89 89 PHE HZ H 1 6.709 0.01 . 1 . . . . 89 PHE HZ . 7094 1 569 . 1 1 89 89 PHE N N 15 122.54 0.26 . 1 . . . . 89 PHE N . 7094 1 570 . 1 1 90 90 ARG H H 1 7.883 0.01 . 1 . . . . 90 ARG H . 7094 1 571 . 1 1 90 90 ARG HA H 1 4.724 0.01 . 1 . . . . 90 ARG HA . 7094 1 572 . 1 1 90 90 ARG HE H 1 7.656 0.01 . 1 . . . . 90 ARG HE . 7094 1 573 . 1 1 90 90 ARG N N 15 127.88 0.26 . 1 . . . . 90 ARG N . 7094 1 574 . 1 1 90 90 ARG NE N 15 85.97 0.26 . 1 . . . . 90 ARG NE . 7094 1 575 . 1 1 91 91 ILE H H 1 8.285 0.01 . 1 . . . . 91 ILE H . 7094 1 576 . 1 1 91 91 ILE HA H 1 4.635 0.01 . 1 . . . . 91 ILE HA . 7094 1 577 . 1 1 91 91 ILE HB H 1 1.861 0.01 . 1 . . . . 91 ILE HB . 7094 1 578 . 1 1 91 91 ILE HG13 H 1 0.9 0.01 . 2 . . . . 91 ILE HG13 . 7094 1 579 . 1 1 91 91 ILE N N 15 119.35 0.26 . 1 . . . . 91 ILE N . 7094 1 580 . 1 1 92 92 ARG H H 1 8.581 0.01 . 1 . . . . 92 ARG H . 7094 1 581 . 1 1 92 92 ARG HA H 1 4.401 0.01 . 1 . . . . 92 ARG HA . 7094 1 582 . 1 1 92 92 ARG HG2 H 1 1.421 0.01 . 2 . . . . 92 ARG HG2 . 7094 1 583 . 1 1 92 92 ARG HG3 H 1 1.247 0.01 . 2 . . . . 92 ARG HG3 . 7094 1 584 . 1 1 92 92 ARG HD2 H 1 2.627 0.01 . 2 . . . . 92 ARG HD2 . 7094 1 585 . 1 1 92 92 ARG HD3 H 1 2.554 0.01 . 2 . . . . 92 ARG HD3 . 7094 1 586 . 1 1 92 92 ARG N N 15 132.45 0.26 . 1 . . . . 92 ARG N . 7094 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_coupling_list_1 _Coupling_constant_list.Entry_ID 7094 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 500.1323 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 1 1 MET H H 1 . . 1 1 1 1 MET HA H 1 . 6.98 . . 0.24 . . . . . . . . . . . 7094 1 2 3JHNHA . 1 1 2 2 SER H H 1 . . 1 1 2 2 SER HA H 1 . 7.15 . . 0.63 . . . . . . . . . . . 7094 1 3 3JHNHA . 1 1 4 4 VAL H H 1 . . 1 1 4 4 VAL HA H 1 . 10.58 . . 0.50 . . . . . . . . . . . 7094 1 4 3JHNHA . 1 1 5 5 CYS H H 1 . . 1 1 5 5 CYS HA H 1 . 11.18 . . 0.50 . . . . . . . . . . . 7094 1 5 3JHNHA . 1 1 6 6 ILE H H 1 . . 1 1 6 6 ILE HA H 1 . 10.95 . . 0.74 . . . . . . . . . . . 7094 1 6 3JHNHA . 1 1 7 7 ILE H H 1 . . 1 1 7 7 ILE HA H 1 . 9.11 . . 0.51 . . . . . . . . . . . 7094 1 7 3JHNHA . 1 1 8 8 ALA H H 1 . . 1 1 8 8 ALA HA H 1 . 9.16 . . 1.16 . . . . . . . . . . . 7094 1 8 3JHNHA . 1 1 9 9 TRP H H 1 . . 1 1 9 9 TRP HA H 1 . 10.02 . . 0.50 . . . . . . . . . . . 7094 1 9 3JHNHA . 1 1 10 10 VAL H H 1 . . 1 1 10 10 VAL HA H 1 . 9.62 . . 1.26 . . . . . . . . . . . 7094 1 10 3JHNHA . 1 1 11 11 TYR H H 1 . . 1 1 11 11 TYR HA H 1 . 9.02 . . 1.71 . . . . . . . . . . . 7094 1 11 3JHNHA . 1 1 13 13 ARG H H 1 . . 1 1 13 13 ARG HA H 1 . 10.43 . . 0.50 . . . . . . . . . . . 7094 1 12 3JHNHA . 1 1 14 14 VAL H H 1 . . 1 1 14 14 VAL HA H 1 . 10.29 . . 0.50 . . . . . . . . . . . 7094 1 13 3JHNHA . 1 1 15 15 GLN H H 1 . . 1 1 15 15 GLN HA H 1 . 10.70 . . 1.02 . . . . . . . . . . . 7094 1 14 3JHNHA . 1 1 17 17 VAL H H 1 . . 1 1 17 17 VAL HA H 1 . 8.67 . . 3.67 . . . . . . . . . . . 7094 1 15 3JHNHA . 1 1 19 19 PHE H H 1 . . 1 1 19 19 PHE HA H 1 . 5.13 . . 2.19 . . . . . . . . . . . 7094 1 16 3JHNHA . 1 1 21 21 TYR H H 1 . . 1 1 21 21 TYR HA H 1 . 7.65 . . 2.01 . . . . . . . . . . . 7094 1 17 3JHNHA . 1 1 23 23 THR H H 1 . . 1 1 23 23 THR HA H 1 . 4.05 . . 2.51 . . . . . . . . . . . 7094 1 18 3JHNHA . 1 1 24 24 GLN H H 1 . . 1 1 24 24 GLN HA H 1 . 9.89 . . 1.14 . . . . . . . . . . . 7094 1 19 3JHNHA . 1 1 25 25 TYR H H 1 . . 1 1 25 25 TYR HA H 1 . 5.36 . . 0.90 . . . . . . . . . . . 7094 1 20 3JHNHA . 1 1 26 26 GLU H H 1 . . 1 1 26 26 GLU HA H 1 . 5.88 . . 0.29 . . . . . . . . . . . 7094 1 21 3JHNHA . 1 1 27 27 ALA H H 1 . . 1 1 27 27 ALA HA H 1 . 5.05 . . 0.79 . . . . . . . . . . . 7094 1 22 3JHNHA . 1 1 28 28 LYS H H 1 . . 1 1 28 28 LYS HA H 1 . 6.76 . . 0.44 . . . . . . . . . . . 7094 1 23 3JHNHA . 1 1 29 29 ARG H H 1 . . 1 1 29 29 ARG HA H 1 . 5.74 . . 0.21 . . . . . . . . . . . 7094 1 24 3JHNHA . 1 1 30 30 LEU H H 1 . . 1 1 30 30 LEU HA H 1 . 8.15 . . 0.57 . . . . . . . . . . . 7094 1 25 3JHNHA . 1 1 32 32 LEU H H 1 . . 1 1 32 32 LEU HA H 1 . 8.27 . . 0.56 . . . . . . . . . . . 7094 1 26 3JHNHA . 1 1 33 33 THR H H 1 . . 1 1 33 33 THR HA H 1 . 11.36 . . 1.09 . . . . . . . . . . . 7094 1 27 3JHNHA . 1 1 35 35 TYR H H 1 . . 1 1 35 35 TYR HA H 1 . 6.11 . . 0.44 . . . . . . . . . . . 7094 1 28 3JHNHA . 1 1 36 36 ALA H H 1 . . 1 1 36 36 ALA HA H 1 . 10.67 . . 0.50 . . . . . . . . . . . 7094 1 29 3JHNHA . 1 1 37 37 LYS H H 1 . . 1 1 37 37 LYS HA H 1 . 9.80 . . 0.67 . . . . . . . . . . . 7094 1 30 3JHNHA . 1 1 38 38 ASN H H 1 . . 1 1 38 38 ASN HA H 1 . 7.49 . . 0.78 . . . . . . . . . . . 7094 1 31 3JHNHA . 1 1 39 39 LEU H H 1 . . 1 1 39 39 LEU HA H 1 . 11.57 . . 1.31 . . . . . . . . . . . 7094 1 32 3JHNHA . 1 1 40 40 ASP H H 1 . . 1 1 40 40 ASP HA H 1 . 5.85 . . 1.66 . . . . . . . . . . . 7094 1 33 3JHNHA . 1 1 43 43 SER H H 1 . . 1 1 43 43 SER HA H 1 . 8.89 . . 0.55 . . . . . . . . . . . 7094 1 34 3JHNHA . 1 1 44 44 VAL H H 1 . . 1 1 44 44 VAL HA H 1 . 10.48 . . 1.45 . . . . . . . . . . . 7094 1 35 3JHNHA . 1 1 45 45 GLU H H 1 . . 1 1 45 45 GLU HA H 1 . 10.77 . . 1.28 . . . . . . . . . . . 7094 1 36 3JHNHA . 1 1 46 46 VAL H H 1 . . 1 1 46 46 VAL HA H 1 . 10.16 . . 0.82 . . . . . . . . . . . 7094 1 37 3JHNHA . 1 1 47 47 VAL H H 1 . . 1 1 47 47 VAL HA H 1 . 8.47 . . 0.51 . . . . . . . . . . . 7094 1 38 3JHNHA . 1 1 48 48 ALA H H 1 . . 1 1 48 48 ALA HA H 1 . 12.73 . . 0.50 . . . . . . . . . . . 7094 1 39 3JHNHA . 1 1 49 49 CYS H H 1 . . 1 1 49 49 CYS HA H 1 . 13.16 . . 0.50 . . . . . . . . . . . 7094 1 40 3JHNHA . 1 1 51 51 GLU H H 1 . . 1 1 51 51 GLU HA H 1 . 12.14 . . 0.45 . . . . . . . . . . . 7094 1 41 3JHNHA . 1 1 54 54 GLN H H 1 . . 1 1 54 54 GLN HA H 1 . 8.21 . . 0.47 . . . . . . . . . . . 7094 1 42 3JHNHA . 1 1 55 55 VAL H H 1 . . 1 1 55 55 VAL HA H 1 . 5.06 . . 0.57 . . . . . . . . . . . 7094 1 43 3JHNHA . 1 1 56 56 GLU H H 1 . . 1 1 56 56 GLU HA H 1 . 6.36 . . 4.00 . . . . . . . . . . . 7094 1 44 3JHNHA . 1 1 57 57 LYS H H 1 . . 1 1 57 57 LYS HA H 1 . 6.84 . . 0.68 . . . . . . . . . . . 7094 1 45 3JHNHA . 1 1 58 58 LEU H H 1 . . 1 1 58 58 LEU HA H 1 . 5.74 . . 0.54 . . . . . . . . . . . 7094 1 46 3JHNHA . 1 1 59 59 MET H H 1 . . 1 1 59 59 MET HA H 1 . 5.29 . . 0.79 . . . . . . . . . . . 7094 1 47 3JHNHA . 1 1 60 60 GLN H H 1 . . 1 1 60 60 GLN HA H 1 . 4.55 . . 0.99 . . . . . . . . . . . 7094 1 48 3JHNHA . 1 1 61 61 TRP H H 1 . . 1 1 61 61 TRP HA H 1 . 5.37 . . 0.22 . . . . . . . . . . . 7094 1 49 3JHNHA . 1 1 75 75 VAL H H 1 . . 1 1 75 75 VAL HA H 1 . 9.03 . . 0.75 . . . . . . . . . . . 7094 1 50 3JHNHA . 1 1 76 76 LEU H H 1 . . 1 1 76 76 LEU HA H 1 . 9.74 . . 0.76 . . . . . . . . . . . 7094 1 51 3JHNHA . 1 1 77 77 SER H H 1 . . 1 1 77 77 SER HA H 1 . 10.69 . . 0.50 . . . . . . . . . . . 7094 1 52 3JHNHA . 1 1 78 78 GLU H H 1 . . 1 1 78 78 GLU HA H 1 . 7.99 . . 0.51 . . . . . . . . . . . 7094 1 53 3JHNHA . 1 1 80 80 HIS H H 1 . . 1 1 80 80 HIS HA H 1 . 9.00 . . 0.49 . . . . . . . . . . . 7094 1 54 3JHNHA . 1 1 81 81 HIS H H 1 . . 1 1 81 81 HIS HA H 1 . 10.20 . . 1.43 . . . . . . . . . . . 7094 1 55 3JHNHA . 1 1 85 85 GLU H H 1 . . 1 1 85 85 GLU HA H 1 . 5.95 . . 0.35 . . . . . . . . . . . 7094 1 56 3JHNHA . 1 1 86 86 LEU H H 1 . . 1 1 86 86 LEU HA H 1 . 9.27 . . 0.84 . . . . . . . . . . . 7094 1 57 3JHNHA . 1 1 87 87 THR H H 1 . . 1 1 87 87 THR HA H 1 . 9.96 . . 0.74 . . . . . . . . . . . 7094 1 58 3JHNHA . 1 1 88 88 ASP H H 1 . . 1 1 88 88 ASP HA H 1 . 7.72 . . 0.46 . . . . . . . . . . . 7094 1 59 3JHNHA . 1 1 89 89 PHE H H 1 . . 1 1 89 89 PHE HA H 1 . 9.47 . . 1.30 . . . . . . . . . . . 7094 1 stop_ save_