data_4424 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4424 _Entry.Title ; NMR Structure of the N-terminal Domain of Saccharomyces cerevisiae RNase HI Reveals a Fold with a Strong Resemblance to the N-terminal Domain of Ribosomal Protein L9 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-09-29 _Entry.Accession_date 1999-09-30 _Entry.Last_release_date 1999-12-23 _Entry.Original_release_date 1999-12-23 _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 S. Evans . P. . 4424 2 M. Bycroft . . . 4424 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4424 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 345 4424 '13C chemical shifts' 190 4424 '15N chemical shifts' 58 4424 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 . . 1999-12-23 1999-09-29 original author . 4424 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4424 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99380410 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR Structure of the N-terminal Domain of Saccharomyces cerevisiae RNase HI Reveals a Fold with a Strong Resemblance to the N-terminal Domain of Ribosomal Protein L ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 291 _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 661 _Citation.Page_last 669 _Citation.Year 1999 _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 S. Evans . P. . 4424 1 2 M. Bycroft . . . 4424 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Ribonuclease HI N-terminal domain' 4424 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4424 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7489497 _Citation.Full_citation . _Citation.Title 'The non-RNase H domain of Saccharomyces cerevisiae RNase H1 binds double-stranded RNA: magnesium modulates the switch between double-stranded RNA binding and RNase H activity.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full 'RNA (New York, N.Y.)' _Citation.Journal_volume 1 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1355-8382 _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 246 _Citation.Page_last 259 _Citation.Year 1995 _Citation.Details ; Eukaryotic ribonucleases H of known sequence are composed of an RNase H domain similar in size and sequence to that of Escherichia coli RNase HI and additional domains of unknown function. The RNase H1 of Saccharomyces cerevisiae has such an RNase H domain at its C-terminus. Here we show that the N-terminal non-RNase H portion of the yeast RNase H1 binds tightly to double-stranded RNA (dsRNA) and RNA-DNA hybrids even in the absence of the RNase H domain. Two copies of a sequence with limited similarity to the dsRNA-binding motif are present in this N-terminus. When the first of these sequences is altered, the protein no longer binds tightly to dsRNA and exhibits an increase in RNase H activity. Unlike other dsRNA-binding proteins, increasing the Mg2+ concentration from 0.5 mM to 5 mM inhibits binding of RNase H1 to dsRNA; yet a protein missing the RNase H domain binds strongly to dsRNA even at the higher Mg2+ concentration. These results suggest that binding to dsRNA and RNase H activity are mutually exclusive, and the Mg2+ concentration is critical for switching between the activities. Changes in the Mg2+ concentration or proteolytic severing of the dsRNA-binding domain could alter the activity or location of the RNase H and may govern access of the enzyme to the substrate. Sequences similar to the dsRNA-binding motif are present in other eukaryotic RNases H and the transactivating protein of cauliflower mosaic virus, suggesting that these proteins may also bind to dsRNA. ; 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 'S. M.' Cerritelli S. M. . 4424 2 2 'R. J.' Crouch R. J. . 4424 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 4424 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 1650910 _Citation.Full_citation . _Citation.Title 'Selective cloning of genes encoding RNase H from Salmonella typhimurium, Saccharomyces cerevisiae and Escherichia coli rnh mutant.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Gen. Genet.' _Citation.Journal_name_full 'Molecular & general genetics : MGG' _Citation.Journal_volume 227 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0026-8925 _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 438 _Citation.Page_last 445 _Citation.Year 1991 _Citation.Details ; We have cloned genes encoding RNase H from Escherichia coli rnh mutants, Salmonella typhimurium and Saccharomyces cerevisiae. Selection was accomplished by suppression of the temperature-sensitive growth phenotype of Escherichia coli strains containing the rnh-339::cat and either recB270 (Ts) or recC271 (Ts) mutations. RNases H from E. coli and S. typhimurium contained 155 amino acid residues and differed at only 11 positions. The S. cerevisiae and E. coli RNases H were about 30% homologous. A comparison of the amino acid sequences of several RNases H from cellular and retroviral sources revealed some strongly conserved regions as well as variable regions; the carboxyl-terminus was particularly variable. The overlapping, divergent promoter gene organization found in E. coli was observed to be present in S. typhimurium. ; 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 M. Itaya M. . . 4424 3 2 D. McKelvin D. . . 4424 3 3 'S. K.' Chatterjie S. K. . 4424 3 4 'R. J.' Crouch R. J. . 4424 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RNase_HI _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RNase_HI _Assembly.Entry_ID 4424 _Assembly.ID 1 _Assembly.Name 'ribonuclease HI' _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 'fully reduced' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.1.26.4 _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 4424 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 'RNase HI' 1 $RNase_HI . . . native . . . . . 4424 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1QHK . 'A Chain A, N-Terminal Domain Of Saccharomyces Cerevisiae Rnase Hi Reveals A Fold With A Resemblance To The N-Terminal Domain Of Ribosomal Protein L9' . . . . 4424 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ribonuclease HI' system 4424 1 'RNase HI' abbreviation 4424 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNase_HI _Entity.Sf_category entity _Entity.Sf_framecode RNase_HI _Entity.Entry_ID 4424 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ribonuclease HI' _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 ; GSARQGNFYAVRKGRETGIY NTWNECKNQVDGYGGAIYKK FNSYEQAKSFLGQPNTTSNY GSS ; _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 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'fully reduced' _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 2015-11-24 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 1QHK . "N-Terminal Domain Of Saccharomyces Cerevisiae Rnase Hi Reveals A Fold With A Resemblance To The N-Terminal Domain Of Ribosomal " . . . . . 73.02 47 100.00 100.00 3.78e-24 . . . . 4424 1 2 no DBJ GAA25685 . "K7_Rnh1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 96.83 348 100.00 100.00 8.33e-34 . . . . 4424 1 3 no EMBL CAA90205 . "Rnh1p [Saccharomyces cerevisiae]" . . . . . 96.83 348 100.00 100.00 8.86e-34 . . . . 4424 1 4 no EMBL CAY82065 . "Rnh1p [Saccharomyces cerevisiae EC1118]" . . . . . 96.83 348 100.00 100.00 8.86e-34 . . . . 4424 1 5 no GB AHY76689 . "Rnh1p [Saccharomyces cerevisiae YJM993]" . . . . . 96.83 348 100.00 100.00 8.86e-34 . . . . 4424 1 6 no GB AJP40928 . "Rnh1p [Saccharomyces cerevisiae YJM1078]" . . . . . 96.83 348 100.00 100.00 8.86e-34 . . . . 4424 1 7 no GB AJS62100 . "Rnh1p [Saccharomyces cerevisiae YJM189]" . . . . . 96.83 348 100.00 100.00 8.86e-34 . . . . 4424 1 8 no GB AJS62535 . "Rnh1p [Saccharomyces cerevisiae YJM193]" . . . . . 96.83 348 98.36 98.36 4.33e-33 . . . . 4424 1 9 no GB AJS62973 . "Rnh1p [Saccharomyces cerevisiae YJM195]" . . . . . 96.83 348 100.00 100.00 8.33e-34 . . . . 4424 1 10 no REF NP_013961 . "Rnh1p [Saccharomyces cerevisiae S288c]" . . . . . 96.83 348 100.00 100.00 8.86e-34 . . . . 4424 1 11 no SP Q04740 . "RecName: Full=Ribonuclease H; Short=RNase H" . . . . . 96.83 348 100.00 100.00 8.86e-34 . . . . 4424 1 12 no TPG DAA10134 . "TPA: Rnh1p [Saccharomyces cerevisiae S288c]" . . . . . 96.83 348 100.00 100.00 8.86e-34 . . . . 4424 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ribonuclease HI' common 4424 1 'RNase HI' abbreviation 4424 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 . 4424 1 2 . SER . 4424 1 3 . ALA . 4424 1 4 . ARG . 4424 1 5 . GLN . 4424 1 6 . GLY . 4424 1 7 . ASN . 4424 1 8 . PHE . 4424 1 9 . TYR . 4424 1 10 . ALA . 4424 1 11 . VAL . 4424 1 12 . ARG . 4424 1 13 . LYS . 4424 1 14 . GLY . 4424 1 15 . ARG . 4424 1 16 . GLU . 4424 1 17 . THR . 4424 1 18 . GLY . 4424 1 19 . ILE . 4424 1 20 . TYR . 4424 1 21 . ASN . 4424 1 22 . THR . 4424 1 23 . TRP . 4424 1 24 . ASN . 4424 1 25 . GLU . 4424 1 26 . CYS . 4424 1 27 . LYS . 4424 1 28 . ASN . 4424 1 29 . GLN . 4424 1 30 . VAL . 4424 1 31 . ASP . 4424 1 32 . GLY . 4424 1 33 . TYR . 4424 1 34 . GLY . 4424 1 35 . GLY . 4424 1 36 . ALA . 4424 1 37 . ILE . 4424 1 38 . TYR . 4424 1 39 . LYS . 4424 1 40 . LYS . 4424 1 41 . PHE . 4424 1 42 . ASN . 4424 1 43 . SER . 4424 1 44 . TYR . 4424 1 45 . GLU . 4424 1 46 . GLN . 4424 1 47 . ALA . 4424 1 48 . LYS . 4424 1 49 . SER . 4424 1 50 . PHE . 4424 1 51 . LEU . 4424 1 52 . GLY . 4424 1 53 . GLN . 4424 1 54 . PRO . 4424 1 55 . ASN . 4424 1 56 . THR . 4424 1 57 . THR . 4424 1 58 . SER . 4424 1 59 . ASN . 4424 1 60 . TYR . 4424 1 61 . GLY . 4424 1 62 . SER . 4424 1 63 . SER . 4424 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 4424 1 . SER 2 2 4424 1 . ALA 3 3 4424 1 . ARG 4 4 4424 1 . GLN 5 5 4424 1 . GLY 6 6 4424 1 . ASN 7 7 4424 1 . PHE 8 8 4424 1 . TYR 9 9 4424 1 . ALA 10 10 4424 1 . VAL 11 11 4424 1 . ARG 12 12 4424 1 . LYS 13 13 4424 1 . GLY 14 14 4424 1 . ARG 15 15 4424 1 . GLU 16 16 4424 1 . THR 17 17 4424 1 . GLY 18 18 4424 1 . ILE 19 19 4424 1 . TYR 20 20 4424 1 . ASN 21 21 4424 1 . THR 22 22 4424 1 . TRP 23 23 4424 1 . ASN 24 24 4424 1 . GLU 25 25 4424 1 . CYS 26 26 4424 1 . LYS 27 27 4424 1 . ASN 28 28 4424 1 . GLN 29 29 4424 1 . VAL 30 30 4424 1 . ASP 31 31 4424 1 . GLY 32 32 4424 1 . TYR 33 33 4424 1 . GLY 34 34 4424 1 . GLY 35 35 4424 1 . ALA 36 36 4424 1 . ILE 37 37 4424 1 . TYR 38 38 4424 1 . LYS 39 39 4424 1 . LYS 40 40 4424 1 . PHE 41 41 4424 1 . ASN 42 42 4424 1 . SER 43 43 4424 1 . TYR 44 44 4424 1 . GLU 45 45 4424 1 . GLN 46 46 4424 1 . ALA 47 47 4424 1 . LYS 48 48 4424 1 . SER 49 49 4424 1 . PHE 50 50 4424 1 . LEU 51 51 4424 1 . GLY 52 52 4424 1 . GLN 53 53 4424 1 . PRO 54 54 4424 1 . ASN 55 55 4424 1 . THR 56 56 4424 1 . THR 57 57 4424 1 . SER 58 58 4424 1 . ASN 59 59 4424 1 . TYR 60 60 4424 1 . GLY 61 61 4424 1 . SER 62 62 4424 1 . SER 63 63 4424 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 4424 _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 $RNase_HI . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 4424 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 4424 _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 $RNase_HI . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3)C41 . . . . . . . . . . . . . . . . . . . . . . 4424 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4424 _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 'ribonuclease HI' '[U-13C; U-15N]' . . 1 $RNase_HI . . . 1.0 3.0 mM . . . . 4424 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 4424 _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 3.6 0.2 n/a 4424 1 temperature 298 0.3 K 4424 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4424 _Software.ID 1 _Software.Name FELIX _Software.Version 2.3 _Software.Details . 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 4424 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 4424 _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 Bruker AMX . 500 . . . 4424 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 4424 _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 NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4424 1 2 COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4424 1 3 TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4424 1 4 HBHA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4424 1 5 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4424 1 6 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4424 1 7 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4424 1 8 HNHA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4424 1 9 HNHB . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4424 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4424 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4424 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4424 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4424 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4424 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4424 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4424 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4424 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4424 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_ref _Chem_shift_reference.Entry_ID 4424 _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 TSP 'methyl protons' . . . . ppm 0.00 internal direct . internal . . . . . . . . 4424 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 4424 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 4424 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4424 _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 $chem_shift_ref _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 . 4424 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.72 . . 1 . . . . . . . . 4424 1 2 . 1 1 1 1 GLY HA2 H 1 3.58 . . 1 . . . . . . . . 4424 1 3 . 1 1 1 1 GLY HA3 H 1 3.58 . . 1 . . . . . . . . 4424 1 4 . 1 1 1 1 GLY CA C 13 41.46 . . 1 . . . . . . . . 4424 1 5 . 1 1 1 1 GLY N N 15 121.52 . . 1 . . . . . . . . 4424 1 6 . 1 1 2 2 SER H H 1 8.65 . . 1 . . . . . . . . 4424 1 7 . 1 1 2 2 SER HA H 1 4.41 . . 1 . . . . . . . . 4424 1 8 . 1 1 2 2 SER HB2 H 1 3.76 . . 1 . . . . . . . . 4424 1 9 . 1 1 2 2 SER HB3 H 1 3.76 . . 1 . . . . . . . . 4424 1 10 . 1 1 2 2 SER CA C 13 55.63 . . 1 . . . . . . . . 4424 1 11 . 1 1 2 2 SER CB C 13 61.70 . . 1 . . . . . . . . 4424 1 12 . 1 1 2 2 SER N N 15 117.89 . . 1 . . . . . . . . 4424 1 13 . 1 1 3 3 ALA H H 1 8.53 . . 1 . . . . . . . . 4424 1 14 . 1 1 3 3 ALA HA H 1 4.27 . . 1 . . . . . . . . 4424 1 15 . 1 1 3 3 ALA HB1 H 1 1.27 . . 1 . . . . . . . . 4424 1 16 . 1 1 3 3 ALA HB2 H 1 1.27 . . 1 . . . . . . . . 4424 1 17 . 1 1 3 3 ALA HB3 H 1 1.27 . . 1 . . . . . . . . 4424 1 18 . 1 1 3 3 ALA CA C 13 50.16 . . 1 . . . . . . . . 4424 1 19 . 1 1 3 3 ALA CB C 13 17.05 . . 1 . . . . . . . . 4424 1 20 . 1 1 3 3 ALA N N 15 128.53 . . 1 . . . . . . . . 4424 1 21 . 1 1 4 4 ARG H H 1 8.45 . . 1 . . . . . . . . 4424 1 22 . 1 1 4 4 ARG HA H 1 4.25 . . 1 . . . . . . . . 4424 1 23 . 1 1 4 4 ARG HB2 H 1 1.65 . . 2 . . . . . . . . 4424 1 24 . 1 1 4 4 ARG HB3 H 1 1.71 . . 2 . . . . . . . . 4424 1 25 . 1 1 4 4 ARG HG2 H 1 1.48 . . 1 . . . . . . . . 4424 1 26 . 1 1 4 4 ARG HG3 H 1 1.48 . . 1 . . . . . . . . 4424 1 27 . 1 1 4 4 ARG HD2 H 1 3.06 . . 1 . . . . . . . . 4424 1 28 . 1 1 4 4 ARG HD3 H 1 3.06 . . 1 . . . . . . . . 4424 1 29 . 1 1 4 4 ARG CA C 13 53.57 . . 1 . . . . . . . . 4424 1 30 . 1 1 4 4 ARG CB C 13 28.59 . . 1 . . . . . . . . 4424 1 31 . 1 1 4 4 ARG CG C 13 24.67 . . 1 . . . . . . . . 4424 1 32 . 1 1 4 4 ARG CD C 13 41.34 . . 1 . . . . . . . . 4424 1 33 . 1 1 4 4 ARG N N 15 123.00 . . 1 . . . . . . . . 4424 1 34 . 1 1 5 5 GLN H H 1 8.47 . . 1 . . . . . . . . 4424 1 35 . 1 1 5 5 GLN HA H 1 4.50 . . 1 . . . . . . . . 4424 1 36 . 1 1 5 5 GLN HB2 H 1 2.03 . . 1 . . . . . . . . 4424 1 37 . 1 1 5 5 GLN HB3 H 1 1.92 . . 1 . . . . . . . . 4424 1 38 . 1 1 5 5 GLN HG2 H 1 2.28 . . 1 . . . . . . . . 4424 1 39 . 1 1 5 5 GLN HG3 H 1 2.28 . . 1 . . . . . . . . 4424 1 40 . 1 1 5 5 GLN CA C 13 53.49 . . 1 . . . . . . . . 4424 1 41 . 1 1 5 5 GLN CB C 13 27.78 . . 1 . . . . . . . . 4424 1 42 . 1 1 5 5 GLN CG C 13 31.56 . . 1 . . . . . . . . 4424 1 43 . 1 1 5 5 GLN N N 15 124.48 . . 1 . . . . . . . . 4424 1 44 . 1 1 6 6 GLY H H 1 8.42 . . 1 . . . . . . . . 4424 1 45 . 1 1 6 6 GLY HA2 H 1 3.90 . . 2 . . . . . . . . 4424 1 46 . 1 1 6 6 GLY HA3 H 1 3.70 . . 2 . . . . . . . . 4424 1 47 . 1 1 6 6 GLY CA C 13 42.70 . . 1 . . . . . . . . 4424 1 48 . 1 1 6 6 GLY N N 15 112.56 . . 1 . . . . . . . . 4424 1 49 . 1 1 7 7 ASN H H 1 7.88 . . 1 . . . . . . . . 4424 1 50 . 1 1 7 7 ASN HA H 1 4.79 . . 1 . . . . . . . . 4424 1 51 . 1 1 7 7 ASN HB2 H 1 2.10 . . 1 . . . . . . . . 4424 1 52 . 1 1 7 7 ASN HB3 H 1 2.44 . . 1 . . . . . . . . 4424 1 53 . 1 1 7 7 ASN CA C 13 50.14 . . 1 . . . . . . . . 4424 1 54 . 1 1 7 7 ASN CB C 13 39.34 . . 1 . . . . . . . . 4424 1 55 . 1 1 7 7 ASN N N 15 119.56 . . 1 . . . . . . . . 4424 1 56 . 1 1 8 8 PHE H H 1 8.34 . . 1 . . . . . . . . 4424 1 57 . 1 1 8 8 PHE HA H 1 4.80 . . 1 . . . . . . . . 4424 1 58 . 1 1 8 8 PHE HB2 H 1 2.50 . . 1 . . . . . . . . 4424 1 59 . 1 1 8 8 PHE HB3 H 1 2.50 . . 1 . . . . . . . . 4424 1 60 . 1 1 8 8 PHE HD1 H 1 6.97 . . 1 . . . . . . . . 4424 1 61 . 1 1 8 8 PHE HD2 H 1 6.97 . . 1 . . . . . . . . 4424 1 62 . 1 1 8 8 PHE HE1 H 1 7.32 . . 1 . . . . . . . . 4424 1 63 . 1 1 8 8 PHE HE2 H 1 7.32 . . 1 . . . . . . . . 4424 1 64 . 1 1 8 8 PHE CA C 13 54.20 . . 1 . . . . . . . . 4424 1 65 . 1 1 8 8 PHE CB C 13 39.35 . . 1 . . . . . . . . 4424 1 66 . 1 1 8 8 PHE CD1 C 13 129.97 . . 1 . . . . . . . . 4424 1 67 . 1 1 8 8 PHE CD2 C 13 129.97 . . 1 . . . . . . . . 4424 1 68 . 1 1 8 8 PHE CE1 C 13 130.72 . . 1 . . . . . . . . 4424 1 69 . 1 1 8 8 PHE CE2 C 13 130.72 . . 1 . . . . . . . . 4424 1 70 . 1 1 8 8 PHE N N 15 119.07 . . 1 . . . . . . . . 4424 1 71 . 1 1 9 9 TYR H H 1 9.68 . . 1 . . . . . . . . 4424 1 72 . 1 1 9 9 TYR HA H 1 4.86 . . 1 . . . . . . . . 4424 1 73 . 1 1 9 9 TYR HB2 H 1 2.98 . . 1 . . . . . . . . 4424 1 74 . 1 1 9 9 TYR HB3 H 1 2.98 . . 1 . . . . . . . . 4424 1 75 . 1 1 9 9 TYR HD1 H 1 7.04 . . 1 . . . . . . . . 4424 1 76 . 1 1 9 9 TYR HD2 H 1 7.04 . . 1 . . . . . . . . 4424 1 77 . 1 1 9 9 TYR HE1 H 1 6.77 . . 1 . . . . . . . . 4424 1 78 . 1 1 9 9 TYR HE2 H 1 6.77 . . 1 . . . . . . . . 4424 1 79 . 1 1 9 9 TYR CA C 13 55.37 . . 1 . . . . . . . . 4424 1 80 . 1 1 9 9 TYR CB C 13 37.07 . . 1 . . . . . . . . 4424 1 81 . 1 1 9 9 TYR CD1 C 13 131.21 . . 1 . . . . . . . . 4424 1 82 . 1 1 9 9 TYR CD2 C 13 131.21 . . 1 . . . . . . . . 4424 1 83 . 1 1 9 9 TYR CE1 C 13 115.72 . . 1 . . . . . . . . 4424 1 84 . 1 1 9 9 TYR CE2 C 13 115.72 . . 1 . . . . . . . . 4424 1 85 . 1 1 9 9 TYR N N 15 124.58 . . 1 . . . . . . . . 4424 1 86 . 1 1 10 10 ALA H H 1 9.40 . . 1 . . . . . . . . 4424 1 87 . 1 1 10 10 ALA HA H 1 5.16 . . 1 . . . . . . . . 4424 1 88 . 1 1 10 10 ALA HB1 H 1 1.60 . . 1 . . . . . . . . 4424 1 89 . 1 1 10 10 ALA HB2 H 1 1.60 . . 1 . . . . . . . . 4424 1 90 . 1 1 10 10 ALA HB3 H 1 1.60 . . 1 . . . . . . . . 4424 1 91 . 1 1 10 10 ALA CA C 13 48.57 . . 1 . . . . . . . . 4424 1 92 . 1 1 10 10 ALA CB C 13 19.81 . . 1 . . . . . . . . 4424 1 93 . 1 1 10 10 ALA N N 15 130.08 . . 1 . . . . . . . . 4424 1 94 . 1 1 11 11 VAL H H 1 9.57 . . 1 . . . . . . . . 4424 1 95 . 1 1 11 11 VAL HA H 1 4.52 . . 1 . . . . . . . . 4424 1 96 . 1 1 11 11 VAL HB H 1 2.30 . . 1 . . . . . . . . 4424 1 97 . 1 1 11 11 VAL HG21 H 1 0.66 . . 2 . . . . . . . . 4424 1 98 . 1 1 11 11 VAL HG22 H 1 0.66 . . 2 . . . . . . . . 4424 1 99 . 1 1 11 11 VAL HG23 H 1 0.66 . . 2 . . . . . . . . 4424 1 100 . 1 1 11 11 VAL HG11 H 1 0.95 . . 2 . . . . . . . . 4424 1 101 . 1 1 11 11 VAL HG12 H 1 0.95 . . 2 . . . . . . . . 4424 1 102 . 1 1 11 11 VAL HG13 H 1 0.95 . . 2 . . . . . . . . 4424 1 103 . 1 1 11 11 VAL CA C 13 59.78 . . 1 . . . . . . . . 4424 1 104 . 1 1 11 11 VAL CB C 13 31.10 . . 1 . . . . . . . . 4424 1 105 . 1 1 11 11 VAL CG1 C 13 19.28 . . 1 . . . . . . . . 4424 1 106 . 1 1 11 11 VAL CG2 C 13 21.20 . . 1 . . . . . . . . 4424 1 107 . 1 1 11 11 VAL N N 15 126.87 . . 1 . . . . . . . . 4424 1 108 . 1 1 12 12 ARG H H 1 8.41 . . 1 . . . . . . . . 4424 1 109 . 1 1 12 12 ARG HA H 1 4.33 . . 1 . . . . . . . . 4424 1 110 . 1 1 12 12 ARG HB2 H 1 1.48 . . 1 . . . . . . . . 4424 1 111 . 1 1 12 12 ARG HB3 H 1 1.48 . . 1 . . . . . . . . 4424 1 112 . 1 1 12 12 ARG CA C 13 53.50 . . 1 . . . . . . . . 4424 1 113 . 1 1 12 12 ARG CB C 13 28.34 . . 1 . . . . . . . . 4424 1 114 . 1 1 12 12 ARG N N 15 128.51 . . 1 . . . . . . . . 4424 1 115 . 1 1 15 15 ARG CA C 13 58.63 . . 1 . . . . . . . . 4424 1 116 . 1 1 15 15 ARG CB C 13 27.20 . . 1 . . . . . . . . 4424 1 117 . 1 1 16 16 GLU H H 1 7.09 . . 1 . . . . . . . . 4424 1 118 . 1 1 16 16 GLU HA H 1 4.39 . . 1 . . . . . . . . 4424 1 119 . 1 1 16 16 GLU HB2 H 1 1.62 . . 2 . . . . . . . . 4424 1 120 . 1 1 16 16 GLU HB3 H 1 1.81 . . 2 . . . . . . . . 4424 1 121 . 1 1 16 16 GLU HG2 H 1 2.20 . . 2 . . . . . . . . 4424 1 122 . 1 1 16 16 GLU HG3 H 1 2.29 . . 2 . . . . . . . . 4424 1 123 . 1 1 16 16 GLU CA C 13 52.27 . . 1 . . . . . . . . 4424 1 124 . 1 1 16 16 GLU CB C 13 28.19 . . 1 . . . . . . . . 4424 1 125 . 1 1 16 16 GLU N N 15 117.06 . . 1 . . . . . . . . 4424 1 126 . 1 1 17 17 THR CA C 13 58.53 . . 1 . . . . . . . . 4424 1 127 . 1 1 17 17 THR CB C 13 68.25 . . 1 . . . . . . . . 4424 1 128 . 1 1 18 18 GLY H H 1 8.28 . . 1 . . . . . . . . 4424 1 129 . 1 1 18 18 GLY HA2 H 1 4.19 . . 2 . . . . . . . . 4424 1 130 . 1 1 18 18 GLY HA3 H 1 3.61 . . 2 . . . . . . . . 4424 1 131 . 1 1 18 18 GLY CA C 13 42.11 . . 1 . . . . . . . . 4424 1 132 . 1 1 18 18 GLY N N 15 108.63 . . 1 . . . . . . . . 4424 1 133 . 1 1 19 19 ILE H H 1 8.04 . . 1 . . . . . . . . 4424 1 134 . 1 1 19 19 ILE HA H 1 4.77 . . 1 . . . . . . . . 4424 1 135 . 1 1 19 19 ILE HB H 1 1.48 . . 1 . . . . . . . . 4424 1 136 . 1 1 19 19 ILE HG12 H 1 0.52 . . 1 . . . . . . . . 4424 1 137 . 1 1 19 19 ILE HG13 H 1 0.52 . . 1 . . . . . . . . 4424 1 138 . 1 1 19 19 ILE HG21 H 1 0.84 . . 1 . . . . . . . . 4424 1 139 . 1 1 19 19 ILE HG22 H 1 0.84 . . 1 . . . . . . . . 4424 1 140 . 1 1 19 19 ILE HG23 H 1 0.84 . . 1 . . . . . . . . 4424 1 141 . 1 1 19 19 ILE HD11 H 1 0.33 . . 1 . . . . . . . . 4424 1 142 . 1 1 19 19 ILE HD12 H 1 0.33 . . 1 . . . . . . . . 4424 1 143 . 1 1 19 19 ILE HD13 H 1 0.33 . . 1 . . . . . . . . 4424 1 144 . 1 1 19 19 ILE CA C 13 57.86 . . 1 . . . . . . . . 4424 1 145 . 1 1 19 19 ILE CB C 13 37.18 . . 1 . . . . . . . . 4424 1 146 . 1 1 19 19 ILE CG1 C 13 27.05 . . 1 . . . . . . . . 4424 1 147 . 1 1 19 19 ILE CG2 C 13 16.74 . . 1 . . . . . . . . 4424 1 148 . 1 1 19 19 ILE CD1 C 13 11.17 . . 1 . . . . . . . . 4424 1 149 . 1 1 19 19 ILE N N 15 121.26 . . 1 . . . . . . . . 4424 1 150 . 1 1 20 20 TYR H H 1 9.46 . . 1 . . . . . . . . 4424 1 151 . 1 1 20 20 TYR HA H 1 4.90 . . 1 . . . . . . . . 4424 1 152 . 1 1 20 20 TYR HB2 H 1 3.19 . . 1 . . . . . . . . 4424 1 153 . 1 1 20 20 TYR HB3 H 1 2.48 . . 1 . . . . . . . . 4424 1 154 . 1 1 20 20 TYR HD1 H 1 7.04 . . 1 . . . . . . . . 4424 1 155 . 1 1 20 20 TYR HD2 H 1 7.04 . . 1 . . . . . . . . 4424 1 156 . 1 1 20 20 TYR HE1 H 1 6.52 . . 1 . . . . . . . . 4424 1 157 . 1 1 20 20 TYR HE2 H 1 6.52 . . 1 . . . . . . . . 4424 1 158 . 1 1 20 20 TYR CA C 13 54.41 . . 1 . . . . . . . . 4424 1 159 . 1 1 20 20 TYR CB C 13 39.65 . . 1 . . . . . . . . 4424 1 160 . 1 1 20 20 TYR CD1 C 13 131.48 . . 1 . . . . . . . . 4424 1 161 . 1 1 20 20 TYR CD2 C 13 131.48 . . 1 . . . . . . . . 4424 1 162 . 1 1 20 20 TYR CE1 C 13 115.33 . . 1 . . . . . . . . 4424 1 163 . 1 1 20 20 TYR CE2 C 13 115.33 . . 1 . . . . . . . . 4424 1 164 . 1 1 20 20 TYR N N 15 128.54 . . 1 . . . . . . . . 4424 1 165 . 1 1 21 21 ASN H H 1 9.43 . . 1 . . . . . . . . 4424 1 166 . 1 1 21 21 ASN HA H 1 5.17 . . 1 . . . . . . . . 4424 1 167 . 1 1 21 21 ASN HB2 H 1 2.88 . . 1 . . . . . . . . 4424 1 168 . 1 1 21 21 ASN HB3 H 1 2.88 . . 1 . . . . . . . . 4424 1 169 . 1 1 21 21 ASN CA C 13 51.59 . . 1 . . . . . . . . 4424 1 170 . 1 1 21 21 ASN CB C 13 37.67 . . 1 . . . . . . . . 4424 1 171 . 1 1 21 21 ASN N N 15 121.37 . . 1 . . . . . . . . 4424 1 172 . 1 1 22 22 THR H H 1 7.42 . . 1 . . . . . . . . 4424 1 173 . 1 1 22 22 THR HA H 1 4.81 . . 1 . . . . . . . . 4424 1 174 . 1 1 22 22 THR HB H 1 4.41 . . 1 . . . . . . . . 4424 1 175 . 1 1 22 22 THR HG21 H 1 1.15 . . 1 . . . . . . . . 4424 1 176 . 1 1 22 22 THR HG22 H 1 1.15 . . 1 . . . . . . . . 4424 1 177 . 1 1 22 22 THR HG23 H 1 1.15 . . 1 . . . . . . . . 4424 1 178 . 1 1 22 22 THR CA C 13 56.58 . . 1 . . . . . . . . 4424 1 179 . 1 1 22 22 THR CB C 13 70.36 . . 1 . . . . . . . . 4424 1 180 . 1 1 22 22 THR CG2 C 13 19.58 . . 1 . . . . . . . . 4424 1 181 . 1 1 22 22 THR N N 15 107.61 . . 1 . . . . . . . . 4424 1 182 . 1 1 23 23 TRP H H 1 9.05 . . 1 . . . . . . . . 4424 1 183 . 1 1 23 23 TRP HA H 1 3.59 . . 1 . . . . . . . . 4424 1 184 . 1 1 23 23 TRP HB2 H 1 3.18 . . 2 . . . . . . . . 4424 1 185 . 1 1 23 23 TRP HB3 H 1 2.84 . . 2 . . . . . . . . 4424 1 186 . 1 1 23 23 TRP HZ2 H 1 7.36 . . 1 . . . . . . . . 4424 1 187 . 1 1 23 23 TRP HH2 H 1 6.89 . . 1 . . . . . . . . 4424 1 188 . 1 1 23 23 TRP CA C 13 55.63 . . 1 . . . . . . . . 4424 1 189 . 1 1 23 23 TRP CB C 13 26.96 . . 1 . . . . . . . . 4424 1 190 . 1 1 23 23 TRP CZ2 C 13 112.44 . . 1 . . . . . . . . 4424 1 191 . 1 1 23 23 TRP CH2 C 13 121.80 . . 1 . . . . . . . . 4424 1 192 . 1 1 23 23 TRP N N 15 125.95 . . 1 . . . . . . . . 4424 1 193 . 1 1 24 24 ASN H H 1 8.56 . . 1 . . . . . . . . 4424 1 194 . 1 1 24 24 ASN HA H 1 3.53 . . 1 . . . . . . . . 4424 1 195 . 1 1 24 24 ASN HB2 H 1 2.44 . . 1 . . . . . . . . 4424 1 196 . 1 1 24 24 ASN HB3 H 1 2.44 . . 1 . . . . . . . . 4424 1 197 . 1 1 24 24 ASN CA C 13 53.85 . . 1 . . . . . . . . 4424 1 198 . 1 1 24 24 ASN CB C 13 35.31 . . 1 . . . . . . . . 4424 1 199 . 1 1 24 24 ASN N N 15 117.83 . . 1 . . . . . . . . 4424 1 200 . 1 1 25 25 GLU H H 1 7.22 . . 1 . . . . . . . . 4424 1 201 . 1 1 25 25 GLU HA H 1 3.65 . . 1 . . . . . . . . 4424 1 202 . 1 1 25 25 GLU HB2 H 1 1.90 . . 1 . . . . . . . . 4424 1 203 . 1 1 25 25 GLU HB3 H 1 1.90 . . 1 . . . . . . . . 4424 1 204 . 1 1 25 25 GLU HG2 H 1 2.14 . . 1 . . . . . . . . 4424 1 205 . 1 1 25 25 GLU HG3 H 1 2.14 . . 1 . . . . . . . . 4424 1 206 . 1 1 25 25 GLU CA C 13 55.83 . . 1 . . . . . . . . 4424 1 207 . 1 1 25 25 GLU CB C 13 28.17 . . 1 . . . . . . . . 4424 1 208 . 1 1 25 25 GLU CG C 13 34.72 . . 1 . . . . . . . . 4424 1 209 . 1 1 25 25 GLU N N 15 117.50 . . 1 . . . . . . . . 4424 1 210 . 1 1 26 26 CYS H H 1 7.03 . . 1 . . . . . . . . 4424 1 211 . 1 1 26 26 CYS HA H 1 3.02 . . 1 . . . . . . . . 4424 1 212 . 1 1 26 26 CYS HB2 H 1 2.34 . . 2 . . . . . . . . 4424 1 213 . 1 1 26 26 CYS HB3 H 1 1.93 . . 2 . . . . . . . . 4424 1 214 . 1 1 26 26 CYS CA C 13 59.54 . . 1 . . . . . . . . 4424 1 215 . 1 1 26 26 CYS CB C 13 24.02 . . 1 . . . . . . . . 4424 1 216 . 1 1 26 26 CYS N N 15 120.91 . . 1 . . . . . . . . 4424 1 217 . 1 1 27 27 LYS H H 1 8.39 . . 1 . . . . . . . . 4424 1 218 . 1 1 27 27 LYS HA H 1 2.80 . . 1 . . . . . . . . 4424 1 219 . 1 1 27 27 LYS HB2 H 1 0.15 . . 1 . . . . . . . . 4424 1 220 . 1 1 27 27 LYS HB3 H 1 0.67 . . 1 . . . . . . . . 4424 1 221 . 1 1 27 27 LYS HG2 H 1 0.77 . . 1 . . . . . . . . 4424 1 222 . 1 1 27 27 LYS HG3 H 1 0.77 . . 1 . . . . . . . . 4424 1 223 . 1 1 27 27 LYS HD2 H 1 1.29 . . 1 . . . . . . . . 4424 1 224 . 1 1 27 27 LYS HD3 H 1 1.29 . . 1 . . . . . . . . 4424 1 225 . 1 1 27 27 LYS CA C 13 56.45 . . 1 . . . . . . . . 4424 1 226 . 1 1 27 27 LYS CB C 13 28.47 . . 1 . . . . . . . . 4424 1 227 . 1 1 27 27 LYS CG C 13 22.42 . . 1 . . . . . . . . 4424 1 228 . 1 1 27 27 LYS CD C 13 26.86 . . 1 . . . . . . . . 4424 1 229 . 1 1 27 27 LYS CE C 13 39.55 . . 1 . . . . . . . . 4424 1 230 . 1 1 27 27 LYS N N 15 122.00 . . 1 . . . . . . . . 4424 1 231 . 1 1 28 28 ASN H H 1 6.93 . . 1 . . . . . . . . 4424 1 232 . 1 1 28 28 ASN HA H 1 4.16 . . 1 . . . . . . . . 4424 1 233 . 1 1 28 28 ASN HB2 H 1 2.47 . . 1 . . . . . . . . 4424 1 234 . 1 1 28 28 ASN HB3 H 1 2.47 . . 1 . . . . . . . . 4424 1 235 . 1 1 28 28 ASN CA C 13 52.86 . . 1 . . . . . . . . 4424 1 236 . 1 1 28 28 ASN CB C 13 35.29 . . 1 . . . . . . . . 4424 1 237 . 1 1 28 28 ASN N N 15 117.01 . . 1 . . . . . . . . 4424 1 238 . 1 1 29 29 GLN H H 1 7.60 . . 1 . . . . . . . . 4424 1 239 . 1 1 29 29 GLN HA H 1 4.51 . . 1 . . . . . . . . 4424 1 240 . 1 1 29 29 GLN HB2 H 1 2.02 . . 2 . . . . . . . . 4424 1 241 . 1 1 29 29 GLN HB3 H 1 1.67 . . 2 . . . . . . . . 4424 1 242 . 1 1 29 29 GLN HG2 H 1 2.42 . . 1 . . . . . . . . 4424 1 243 . 1 1 29 29 GLN HG3 H 1 2.42 . . 1 . . . . . . . . 4424 1 244 . 1 1 29 29 GLN CA C 13 52.10 . . 1 . . . . . . . . 4424 1 245 . 1 1 29 29 GLN CB C 13 26.10 . . 1 . . . . . . . . 4424 1 246 . 1 1 29 29 GLN CG C 13 28.00 . . 1 . . . . . . . . 4424 1 247 . 1 1 29 29 GLN N N 15 115.89 . . 1 . . . . . . . . 4424 1 248 . 1 1 30 30 VAL H H 1 7.06 . . 1 . . . . . . . . 4424 1 249 . 1 1 30 30 VAL HA H 1 4.44 . . 1 . . . . . . . . 4424 1 250 . 1 1 30 30 VAL HB H 1 2.03 . . 1 . . . . . . . . 4424 1 251 . 1 1 30 30 VAL HG21 H 1 0.71 . . 2 . . . . . . . . 4424 1 252 . 1 1 30 30 VAL HG22 H 1 0.71 . . 2 . . . . . . . . 4424 1 253 . 1 1 30 30 VAL HG23 H 1 0.71 . . 2 . . . . . . . . 4424 1 254 . 1 1 30 30 VAL HG11 H 1 0.32 . . 2 . . . . . . . . 4424 1 255 . 1 1 30 30 VAL HG12 H 1 0.32 . . 2 . . . . . . . . 4424 1 256 . 1 1 30 30 VAL HG13 H 1 0.32 . . 2 . . . . . . . . 4424 1 257 . 1 1 30 30 VAL CA C 13 58.89 . . 1 . . . . . . . . 4424 1 258 . 1 1 30 30 VAL CB C 13 31.31 . . 1 . . . . . . . . 4424 1 259 . 1 1 30 30 VAL CG1 C 13 20.11 . . 1 . . . . . . . . 4424 1 260 . 1 1 30 30 VAL CG2 C 13 15.38 . . 1 . . . . . . . . 4424 1 261 . 1 1 30 30 VAL N N 15 109.31 . . 1 . . . . . . . . 4424 1 262 . 1 1 31 31 ASP H H 1 8.61 . . 1 . . . . . . . . 4424 1 263 . 1 1 31 31 ASP HA H 1 4.40 . . 1 . . . . . . . . 4424 1 264 . 1 1 31 31 ASP HB2 H 1 2.47 . . 1 . . . . . . . . 4424 1 265 . 1 1 31 31 ASP HB3 H 1 2.47 . . 1 . . . . . . . . 4424 1 266 . 1 1 31 31 ASP CA C 13 53.83 . . 1 . . . . . . . . 4424 1 267 . 1 1 31 31 ASP CB C 13 38.06 . . 1 . . . . . . . . 4424 1 268 . 1 1 31 31 ASP N N 15 126.87 . . 1 . . . . . . . . 4424 1 269 . 1 1 32 32 GLY H H 1 9.24 . . 1 . . . . . . . . 4424 1 270 . 1 1 32 32 GLY HA2 H 1 3.98 . . 2 . . . . . . . . 4424 1 271 . 1 1 32 32 GLY HA3 H 1 3.68 . . 2 . . . . . . . . 4424 1 272 . 1 1 32 32 GLY CA C 13 43.80 . . 1 . . . . . . . . 4424 1 273 . 1 1 32 32 GLY N N 15 117.79 . . 1 . . . . . . . . 4424 1 274 . 1 1 33 33 TYR H H 1 7.78 . . 1 . . . . . . . . 4424 1 275 . 1 1 33 33 TYR HA H 1 4.36 . . 1 . . . . . . . . 4424 1 276 . 1 1 33 33 TYR HB2 H 1 3.18 . . 2 . . . . . . . . 4424 1 277 . 1 1 33 33 TYR HB3 H 1 2.15 . . 2 . . . . . . . . 4424 1 278 . 1 1 33 33 TYR HD1 H 1 6.77 . . 1 . . . . . . . . 4424 1 279 . 1 1 33 33 TYR HD2 H 1 6.77 . . 1 . . . . . . . . 4424 1 280 . 1 1 33 33 TYR HE1 H 1 6.58 . . 1 . . . . . . . . 4424 1 281 . 1 1 33 33 TYR HE2 H 1 6.58 . . 1 . . . . . . . . 4424 1 282 . 1 1 33 33 TYR CA C 13 54.40 . . 1 . . . . . . . . 4424 1 283 . 1 1 33 33 TYR CB C 13 37.07 . . 1 . . . . . . . . 4424 1 284 . 1 1 33 33 TYR CD1 C 13 131.50 . . 1 . . . . . . . . 4424 1 285 . 1 1 33 33 TYR CD2 C 13 131.50 . . 1 . . . . . . . . 4424 1 286 . 1 1 33 33 TYR CE1 C 13 115.63 . . 1 . . . . . . . . 4424 1 287 . 1 1 33 33 TYR CE2 C 13 115.63 . . 1 . . . . . . . . 4424 1 288 . 1 1 33 33 TYR N N 15 125.02 . . 1 . . . . . . . . 4424 1 289 . 1 1 34 34 GLY H H 1 8.52 . . 1 . . . . . . . . 4424 1 290 . 1 1 34 34 GLY HA2 H 1 3.77 . . 2 . . . . . . . . 4424 1 291 . 1 1 34 34 GLY HA3 H 1 3.41 . . 2 . . . . . . . . 4424 1 292 . 1 1 34 34 GLY CA C 13 44.37 . . 1 . . . . . . . . 4424 1 293 . 1 1 34 34 GLY N N 15 120.21 . . 1 . . . . . . . . 4424 1 294 . 1 1 35 35 GLY H H 1 8.92 . . 1 . . . . . . . . 4424 1 295 . 1 1 35 35 GLY HA2 H 1 3.82 . . 2 . . . . . . . . 4424 1 296 . 1 1 35 35 GLY HA3 H 1 3.73 . . 2 . . . . . . . . 4424 1 297 . 1 1 35 35 GLY CA C 13 43.40 . . 1 . . . . . . . . 4424 1 298 . 1 1 35 35 GLY N N 15 115.03 . . 1 . . . . . . . . 4424 1 299 . 1 1 36 36 ALA H H 1 7.61 . . 1 . . . . . . . . 4424 1 300 . 1 1 36 36 ALA HA H 1 4.08 . . 1 . . . . . . . . 4424 1 301 . 1 1 36 36 ALA HB1 H 1 1.76 . . 1 . . . . . . . . 4424 1 302 . 1 1 36 36 ALA HB2 H 1 1.76 . . 1 . . . . . . . . 4424 1 303 . 1 1 36 36 ALA HB3 H 1 1.76 . . 1 . . . . . . . . 4424 1 304 . 1 1 36 36 ALA CA C 13 50.67 . . 1 . . . . . . . . 4424 1 305 . 1 1 36 36 ALA CB C 13 17.77 . . 1 . . . . . . . . 4424 1 306 . 1 1 36 36 ALA N N 15 121.38 . . 1 . . . . . . . . 4424 1 307 . 1 1 37 37 ILE H H 1 9.02 . . 1 . . . . . . . . 4424 1 308 . 1 1 37 37 ILE HA H 1 4.62 . . 1 . . . . . . . . 4424 1 309 . 1 1 37 37 ILE HB H 1 1.61 . . 1 . . . . . . . . 4424 1 310 . 1 1 37 37 ILE HG12 H 1 1.17 . . 1 . . . . . . . . 4424 1 311 . 1 1 37 37 ILE HG13 H 1 1.17 . . 1 . . . . . . . . 4424 1 312 . 1 1 37 37 ILE HG21 H 1 0.94 . . 1 . . . . . . . . 4424 1 313 . 1 1 37 37 ILE HG22 H 1 0.94 . . 1 . . . . . . . . 4424 1 314 . 1 1 37 37 ILE HG23 H 1 0.94 . . 1 . . . . . . . . 4424 1 315 . 1 1 37 37 ILE HD11 H 1 0.83 . . 1 . . . . . . . . 4424 1 316 . 1 1 37 37 ILE HD12 H 1 0.83 . . 1 . . . . . . . . 4424 1 317 . 1 1 37 37 ILE HD13 H 1 0.83 . . 1 . . . . . . . . 4424 1 318 . 1 1 37 37 ILE CA C 13 58.12 . . 1 . . . . . . . . 4424 1 319 . 1 1 37 37 ILE CB C 13 39.43 . . 1 . . . . . . . . 4424 1 320 . 1 1 37 37 ILE CG1 C 13 23.89 . . 1 . . . . . . . . 4424 1 321 . 1 1 37 37 ILE CG2 C 13 15.48 . . 1 . . . . . . . . 4424 1 322 . 1 1 37 37 ILE CD1 C 13 11.07 . . 1 . . . . . . . . 4424 1 323 . 1 1 37 37 ILE N N 15 122.41 . . 1 . . . . . . . . 4424 1 324 . 1 1 38 38 TYR H H 1 8.74 . . 1 . . . . . . . . 4424 1 325 . 1 1 38 38 TYR HA H 1 6.10 . . 1 . . . . . . . . 4424 1 326 . 1 1 38 38 TYR HB2 H 1 3.01 . . 2 . . . . . . . . 4424 1 327 . 1 1 38 38 TYR HB3 H 1 2.92 . . 2 . . . . . . . . 4424 1 328 . 1 1 38 38 TYR HD1 H 1 6.89 . . 1 . . . . . . . . 4424 1 329 . 1 1 38 38 TYR HD2 H 1 6.89 . . 1 . . . . . . . . 4424 1 330 . 1 1 38 38 TYR HE1 H 1 6.95 . . 1 . . . . . . . . 4424 1 331 . 1 1 38 38 TYR HE2 H 1 6.95 . . 1 . . . . . . . . 4424 1 332 . 1 1 38 38 TYR CA C 13 53.32 . . 1 . . . . . . . . 4424 1 333 . 1 1 38 38 TYR CB C 13 40.38 . . 1 . . . . . . . . 4424 1 334 . 1 1 38 38 TYR CD1 C 13 131.38 . . 1 . . . . . . . . 4424 1 335 . 1 1 38 38 TYR CD2 C 13 131.38 . . 1 . . . . . . . . 4424 1 336 . 1 1 38 38 TYR CE1 C 13 116.19 . . 1 . . . . . . . . 4424 1 337 . 1 1 38 38 TYR CE2 C 13 116.19 . . 1 . . . . . . . . 4424 1 338 . 1 1 38 38 TYR N N 15 127.69 . . 1 . . . . . . . . 4424 1 339 . 1 1 39 39 LYS H H 1 8.72 . . 1 . . . . . . . . 4424 1 340 . 1 1 39 39 LYS HA H 1 4.00 . . 1 . . . . . . . . 4424 1 341 . 1 1 39 39 LYS HB2 H 1 0.88 . . 1 . . . . . . . . 4424 1 342 . 1 1 39 39 LYS HB3 H 1 0.47 . . 1 . . . . . . . . 4424 1 343 . 1 1 39 39 LYS HG2 H 1 0.27 . . 1 . . . . . . . . 4424 1 344 . 1 1 39 39 LYS HG3 H 1 0.27 . . 1 . . . . . . . . 4424 1 345 . 1 1 39 39 LYS HD2 H 1 0.74 . . 1 . . . . . . . . 4424 1 346 . 1 1 39 39 LYS HD3 H 1 0.74 . . 1 . . . . . . . . 4424 1 347 . 1 1 39 39 LYS CA C 13 54.25 . . 1 . . . . . . . . 4424 1 348 . 1 1 39 39 LYS CB C 13 34.73 . . 1 . . . . . . . . 4424 1 349 . 1 1 39 39 LYS CG C 13 23.04 . . 1 . . . . . . . . 4424 1 350 . 1 1 39 39 LYS CD C 13 28.60 . . 1 . . . . . . . . 4424 1 351 . 1 1 39 39 LYS CE C 13 39.91 . . 1 . . . . . . . . 4424 1 352 . 1 1 39 39 LYS N N 15 123.09 . . 1 . . . . . . . . 4424 1 353 . 1 1 40 40 LYS H H 1 8.07 . . 1 . . . . . . . . 4424 1 354 . 1 1 40 40 LYS HA H 1 4.52 . . 1 . . . . . . . . 4424 1 355 . 1 1 40 40 LYS HB2 H 1 1.29 . . 1 . . . . . . . . 4424 1 356 . 1 1 40 40 LYS HB3 H 1 1.29 . . 1 . . . . . . . . 4424 1 357 . 1 1 40 40 LYS HG2 H 1 0.27 . . 1 . . . . . . . . 4424 1 358 . 1 1 40 40 LYS HG3 H 1 0.27 . . 1 . . . . . . . . 4424 1 359 . 1 1 40 40 LYS HD2 H 1 0.72 . . 1 . . . . . . . . 4424 1 360 . 1 1 40 40 LYS HD3 H 1 0.72 . . 1 . . . . . . . . 4424 1 361 . 1 1 40 40 LYS CA C 13 53.24 . . 1 . . . . . . . . 4424 1 362 . 1 1 40 40 LYS CB C 13 32.22 . . 1 . . . . . . . . 4424 1 363 . 1 1 40 40 LYS CG C 13 22.21 . . 1 . . . . . . . . 4424 1 364 . 1 1 40 40 LYS CD C 13 28.60 . . 1 . . . . . . . . 4424 1 365 . 1 1 40 40 LYS CE C 13 39.67 . . 1 . . . . . . . . 4424 1 366 . 1 1 40 40 LYS N N 15 127.43 . . 1 . . . . . . . . 4424 1 367 . 1 1 41 41 PHE H H 1 9.17 . . 1 . . . . . . . . 4424 1 368 . 1 1 41 41 PHE HA H 1 4.73 . . 1 . . . . . . . . 4424 1 369 . 1 1 41 41 PHE HB2 H 1 3.31 . . 2 . . . . . . . . 4424 1 370 . 1 1 41 41 PHE HB3 H 1 2.59 . . 2 . . . . . . . . 4424 1 371 . 1 1 41 41 PHE HD1 H 1 7.13 . . 1 . . . . . . . . 4424 1 372 . 1 1 41 41 PHE HD2 H 1 7.13 . . 1 . . . . . . . . 4424 1 373 . 1 1 41 41 PHE HE1 H 1 6.87 . . 1 . . . . . . . . 4424 1 374 . 1 1 41 41 PHE HE2 H 1 6.87 . . 1 . . . . . . . . 4424 1 375 . 1 1 41 41 PHE CA C 13 54.71 . . 1 . . . . . . . . 4424 1 376 . 1 1 41 41 PHE CB C 13 42.59 . . 1 . . . . . . . . 4424 1 377 . 1 1 41 41 PHE CD1 C 13 130.04 . . 1 . . . . . . . . 4424 1 378 . 1 1 41 41 PHE CD2 C 13 130.04 . . 1 . . . . . . . . 4424 1 379 . 1 1 41 41 PHE CE1 C 13 128.80 . . 1 . . . . . . . . 4424 1 380 . 1 1 41 41 PHE CE2 C 13 128.80 . . 1 . . . . . . . . 4424 1 381 . 1 1 41 41 PHE N N 15 124.96 . . 1 . . . . . . . . 4424 1 382 . 1 1 42 42 ASN H H 1 9.11 . . 1 . . . . . . . . 4424 1 383 . 1 1 42 42 ASN HA H 1 5.30 . . 1 . . . . . . . . 4424 1 384 . 1 1 42 42 ASN HB2 H 1 2.90 . . 1 . . . . . . . . 4424 1 385 . 1 1 42 42 ASN HB3 H 1 2.90 . . 1 . . . . . . . . 4424 1 386 . 1 1 42 42 ASN CA C 13 50.74 . . 1 . . . . . . . . 4424 1 387 . 1 1 42 42 ASN CB C 13 37.06 . . 1 . . . . . . . . 4424 1 388 . 1 1 42 42 ASN N N 15 119.50 . . 1 . . . . . . . . 4424 1 389 . 1 1 43 43 SER H H 1 7.37 . . 1 . . . . . . . . 4424 1 390 . 1 1 43 43 SER HA H 1 4.72 . . 1 . . . . . . . . 4424 1 391 . 1 1 43 43 SER HB2 H 1 4.01 . . 2 . . . . . . . . 4424 1 392 . 1 1 43 43 SER HB3 H 1 3.72 . . 2 . . . . . . . . 4424 1 393 . 1 1 43 43 SER CA C 13 53.61 . . 1 . . . . . . . . 4424 1 394 . 1 1 43 43 SER CB C 13 63.48 . . 1 . . . . . . . . 4424 1 395 . 1 1 43 43 SER N N 15 112.89 . . 1 . . . . . . . . 4424 1 396 . 1 1 44 44 TYR H H 1 8.61 . . 1 . . . . . . . . 4424 1 397 . 1 1 44 44 TYR HA H 1 2.86 . . 1 . . . . . . . . 4424 1 398 . 1 1 44 44 TYR HB2 H 1 2.37 . . 2 . . . . . . . . 4424 1 399 . 1 1 44 44 TYR HB3 H 1 2.14 . . 2 . . . . . . . . 4424 1 400 . 1 1 44 44 TYR HD1 H 1 6.64 . . 1 . . . . . . . . 4424 1 401 . 1 1 44 44 TYR HD2 H 1 6.64 . . 1 . . . . . . . . 4424 1 402 . 1 1 44 44 TYR HE1 H 1 6.63 . . 1 . . . . . . . . 4424 1 403 . 1 1 44 44 TYR HE2 H 1 6.63 . . 1 . . . . . . . . 4424 1 404 . 1 1 44 44 TYR CA C 13 59.22 . . 1 . . . . . . . . 4424 1 405 . 1 1 44 44 TYR CB C 13 35.92 . . 1 . . . . . . . . 4424 1 406 . 1 1 44 44 TYR CD1 C 13 130.80 . . 1 . . . . . . . . 4424 1 407 . 1 1 44 44 TYR CD2 C 13 130.80 . . 1 . . . . . . . . 4424 1 408 . 1 1 44 44 TYR CE1 C 13 115.86 . . 1 . . . . . . . . 4424 1 409 . 1 1 44 44 TYR CE2 C 13 115.86 . . 1 . . . . . . . . 4424 1 410 . 1 1 44 44 TYR N N 15 130.00 . . 1 . . . . . . . . 4424 1 411 . 1 1 45 45 GLU H H 1 8.68 . . 1 . . . . . . . . 4424 1 412 . 1 1 45 45 GLU HA H 1 3.54 . . 1 . . . . . . . . 4424 1 413 . 1 1 45 45 GLU HB2 H 1 1.78 . . 1 . . . . . . . . 4424 1 414 . 1 1 45 45 GLU HB3 H 1 1.78 . . 1 . . . . . . . . 4424 1 415 . 1 1 45 45 GLU HG2 H 1 2.20 . . 1 . . . . . . . . 4424 1 416 . 1 1 45 45 GLU HG3 H 1 2.20 . . 1 . . . . . . . . 4424 1 417 . 1 1 45 45 GLU CA C 13 57.43 . . 1 . . . . . . . . 4424 1 418 . 1 1 45 45 GLU CB C 13 26.06 . . 1 . . . . . . . . 4424 1 419 . 1 1 45 45 GLU CG C 13 32.62 . . 1 . . . . . . . . 4424 1 420 . 1 1 45 45 GLU N N 15 118.98 . . 1 . . . . . . . . 4424 1 421 . 1 1 46 46 GLN H H 1 7.31 . . 1 . . . . . . . . 4424 1 422 . 1 1 46 46 GLN HA H 1 3.65 . . 1 . . . . . . . . 4424 1 423 . 1 1 46 46 GLN HB2 H 1 1.72 . . 1 . . . . . . . . 4424 1 424 . 1 1 46 46 GLN HB3 H 1 1.72 . . 1 . . . . . . . . 4424 1 425 . 1 1 46 46 GLN HG2 H 1 2.20 . . 1 . . . . . . . . 4424 1 426 . 1 1 46 46 GLN HG3 H 1 2.20 . . 1 . . . . . . . . 4424 1 427 . 1 1 46 46 GLN CA C 13 56.04 . . 1 . . . . . . . . 4424 1 428 . 1 1 46 46 GLN CB C 13 26.96 . . 1 . . . . . . . . 4424 1 429 . 1 1 46 46 GLN CG C 13 32.37 . . 1 . . . . . . . . 4424 1 430 . 1 1 46 46 GLN N N 15 119.92 . . 1 . . . . . . . . 4424 1 431 . 1 1 47 47 ALA H H 1 6.92 . . 1 . . . . . . . . 4424 1 432 . 1 1 47 47 ALA HA H 1 3.11 . . 1 . . . . . . . . 4424 1 433 . 1 1 47 47 ALA HB1 H 1 1.10 . . 1 . . . . . . . . 4424 1 434 . 1 1 47 47 ALA HB2 H 1 1.10 . . 1 . . . . . . . . 4424 1 435 . 1 1 47 47 ALA HB3 H 1 1.10 . . 1 . . . . . . . . 4424 1 436 . 1 1 47 47 ALA CA C 13 51.82 . . 1 . . . . . . . . 4424 1 437 . 1 1 47 47 ALA CB C 13 15.84 . . 1 . . . . . . . . 4424 1 438 . 1 1 47 47 ALA N N 15 124.75 . . 1 . . . . . . . . 4424 1 439 . 1 1 48 48 LYS H H 1 8.17 . . 1 . . . . . . . . 4424 1 440 . 1 1 48 48 LYS HA H 1 3.45 . . 1 . . . . . . . . 4424 1 441 . 1 1 48 48 LYS HB2 H 1 1.43 . . 2 . . . . . . . . 4424 1 442 . 1 1 48 48 LYS HB3 H 1 1.13 . . 2 . . . . . . . . 4424 1 443 . 1 1 48 48 LYS HG2 H 1 1.02 . . 1 . . . . . . . . 4424 1 444 . 1 1 48 48 LYS HG3 H 1 1.02 . . 1 . . . . . . . . 4424 1 445 . 1 1 48 48 LYS HD2 H 1 0.32 . . 1 . . . . . . . . 4424 1 446 . 1 1 48 48 LYS HD3 H 1 0.32 . . 1 . . . . . . . . 4424 1 447 . 1 1 48 48 LYS CA C 13 57.74 . . 1 . . . . . . . . 4424 1 448 . 1 1 48 48 LYS CB C 13 29.31 . . 1 . . . . . . . . 4424 1 449 . 1 1 48 48 LYS CG C 13 26.35 . . 1 . . . . . . . . 4424 1 450 . 1 1 48 48 LYS CD C 13 33.65 . . 1 . . . . . . . . 4424 1 451 . 1 1 48 48 LYS CE C 13 36.36 . . 1 . . . . . . . . 4424 1 452 . 1 1 48 48 LYS N N 15 119.86 . . 1 . . . . . . . . 4424 1 453 . 1 1 49 49 SER H H 1 7.76 . . 1 . . . . . . . . 4424 1 454 . 1 1 49 49 SER HA H 1 3.97 . . 1 . . . . . . . . 4424 1 455 . 1 1 49 49 SER HB2 H 1 3.65 . . 1 . . . . . . . . 4424 1 456 . 1 1 49 49 SER HB3 H 1 3.65 . . 1 . . . . . . . . 4424 1 457 . 1 1 49 49 SER CA C 13 56.75 . . 1 . . . . . . . . 4424 1 458 . 1 1 49 49 SER CB C 13 60.82 . . 1 . . . . . . . . 4424 1 459 . 1 1 49 49 SER N N 15 117.13 . . 1 . . . . . . . . 4424 1 460 . 1 1 50 50 PHE H H 1 7.42 . . 1 . . . . . . . . 4424 1 461 . 1 1 50 50 PHE HA H 1 4.15 . . 1 . . . . . . . . 4424 1 462 . 1 1 50 50 PHE HB2 H 1 3.00 . . 2 . . . . . . . . 4424 1 463 . 1 1 50 50 PHE HB3 H 1 2.84 . . 2 . . . . . . . . 4424 1 464 . 1 1 50 50 PHE HD1 H 1 7.29 . . 1 . . . . . . . . 4424 1 465 . 1 1 50 50 PHE HD2 H 1 7.29 . . 1 . . . . . . . . 4424 1 466 . 1 1 50 50 PHE HE1 H 1 7.18 . . 1 . . . . . . . . 4424 1 467 . 1 1 50 50 PHE HE2 H 1 7.18 . . 1 . . . . . . . . 4424 1 468 . 1 1 50 50 PHE HZ H 1 7.32 . . 1 . . . . . . . . 4424 1 469 . 1 1 50 50 PHE CA C 13 58.28 . . 1 . . . . . . . . 4424 1 470 . 1 1 50 50 PHE CB C 13 37.83 . . 1 . . . . . . . . 4424 1 471 . 1 1 50 50 PHE CD1 C 13 129.45 . . 1 . . . . . . . . 4424 1 472 . 1 1 50 50 PHE CD2 C 13 129.45 . . 1 . . . . . . . . 4424 1 473 . 1 1 50 50 PHE CE1 C 13 129.90 . . 1 . . . . . . . . 4424 1 474 . 1 1 50 50 PHE CE2 C 13 129.90 . . 1 . . . . . . . . 4424 1 475 . 1 1 50 50 PHE CZ C 13 130.72 . . 1 . . . . . . . . 4424 1 476 . 1 1 50 50 PHE N N 15 124.17 . . 1 . . . . . . . . 4424 1 477 . 1 1 51 51 LEU H H 1 7.52 . . 1 . . . . . . . . 4424 1 478 . 1 1 51 51 LEU HA H 1 3.72 . . 1 . . . . . . . . 4424 1 479 . 1 1 51 51 LEU HB2 H 1 1.57 . . 1 . . . . . . . . 4424 1 480 . 1 1 51 51 LEU HB3 H 1 1.65 . . 1 . . . . . . . . 4424 1 481 . 1 1 51 51 LEU HG H 1 1.77 . . 1 . . . . . . . . 4424 1 482 . 1 1 51 51 LEU HD11 H 1 0.76 . . 2 . . . . . . . . 4424 1 483 . 1 1 51 51 LEU HD12 H 1 0.76 . . 2 . . . . . . . . 4424 1 484 . 1 1 51 51 LEU HD13 H 1 0.76 . . 2 . . . . . . . . 4424 1 485 . 1 1 51 51 LEU HD21 H 1 0.73 . . 2 . . . . . . . . 4424 1 486 . 1 1 51 51 LEU HD22 H 1 0.73 . . 2 . . . . . . . . 4424 1 487 . 1 1 51 51 LEU HD23 H 1 0.73 . . 2 . . . . . . . . 4424 1 488 . 1 1 51 51 LEU CA C 13 54.14 . . 1 . . . . . . . . 4424 1 489 . 1 1 51 51 LEU CB C 13 39.41 . . 1 . . . . . . . . 4424 1 490 . 1 1 51 51 LEU CG C 13 24.73 . . 1 . . . . . . . . 4424 1 491 . 1 1 51 51 LEU CD1 C 13 23.16 . . 1 . . . . . . . . 4424 1 492 . 1 1 51 51 LEU CD2 C 13 21.26 . . 1 . . . . . . . . 4424 1 493 . 1 1 51 51 LEU N N 15 118.71 . . 1 . . . . . . . . 4424 1 494 . 1 1 52 52 GLY H H 1 7.53 . . 1 . . . . . . . . 4424 1 495 . 1 1 52 52 GLY HA2 H 1 3.86 . . 2 . . . . . . . . 4424 1 496 . 1 1 52 52 GLY HA3 H 1 3.67 . . 2 . . . . . . . . 4424 1 497 . 1 1 52 52 GLY CA C 13 42.82 . . 1 . . . . . . . . 4424 1 498 . 1 1 52 52 GLY N N 15 106.66 . . 1 . . . . . . . . 4424 1 499 . 1 1 53 53 GLN H H 1 7.70 . . 1 . . . . . . . . 4424 1 500 . 1 1 53 53 GLN HA H 1 4.45 . . 1 . . . . . . . . 4424 1 501 . 1 1 53 53 GLN HB2 H 1 1.92 . . 1 . . . . . . . . 4424 1 502 . 1 1 53 53 GLN HB3 H 1 1.73 . . 1 . . . . . . . . 4424 1 503 . 1 1 53 53 GLN HG2 H 1 2.31 . . 1 . . . . . . . . 4424 1 504 . 1 1 53 53 GLN HG3 H 1 2.31 . . 1 . . . . . . . . 4424 1 505 . 1 1 53 53 GLN CA C 13 51.28 . . 1 . . . . . . . . 4424 1 506 . 1 1 53 53 GLN CB C 13 26.34 . . 1 . . . . . . . . 4424 1 507 . 1 1 53 53 GLN CG C 13 31.14 . . 1 . . . . . . . . 4424 1 508 . 1 1 53 53 GLN N N 15 122.66 . . 1 . . . . . . . . 4424 1 509 . 1 1 54 54 PRO HA H 1 4.53 . . 1 . . . . . . . . 4424 1 510 . 1 1 54 54 PRO HB2 H 1 2.10 . . 2 . . . . . . . . 4424 1 511 . 1 1 54 54 PRO HB3 H 1 1.80 . . 2 . . . . . . . . 4424 1 512 . 1 1 54 54 PRO HG2 H 1 1.89 . . 1 . . . . . . . . 4424 1 513 . 1 1 54 54 PRO HG3 H 1 1.89 . . 1 . . . . . . . . 4424 1 514 . 1 1 54 54 PRO HD2 H 1 3.65 . . 2 . . . . . . . . 4424 1 515 . 1 1 54 54 PRO HD3 H 1 3.53 . . 2 . . . . . . . . 4424 1 516 . 1 1 54 54 PRO CA C 13 60.93 . . 1 . . . . . . . . 4424 1 517 . 1 1 54 54 PRO CB C 13 30.05 . . 1 . . . . . . . . 4424 1 518 . 1 1 54 54 PRO CG C 13 25.03 . . 1 . . . . . . . . 4424 1 519 . 1 1 54 54 PRO CD C 13 48.32 . . 1 . . . . . . . . 4424 1 520 . 1 1 55 55 ASN H H 1 8.55 . . 1 . . . . . . . . 4424 1 521 . 1 1 55 55 ASN HA H 1 4.62 . . 1 . . . . . . . . 4424 1 522 . 1 1 55 55 ASN HB2 H 1 2.73 . . 2 . . . . . . . . 4424 1 523 . 1 1 55 55 ASN HB3 H 1 2.68 . . 2 . . . . . . . . 4424 1 524 . 1 1 55 55 ASN CA C 13 51.01 . . 1 . . . . . . . . 4424 1 525 . 1 1 55 55 ASN CB C 13 36.50 . . 1 . . . . . . . . 4424 1 526 . 1 1 55 55 ASN N N 15 120.67 . . 1 . . . . . . . . 4424 1 527 . 1 1 56 56 THR H H 1 8.13 . . 1 . . . . . . . . 4424 1 528 . 1 1 56 56 THR HA H 1 4.36 . . 1 . . . . . . . . 4424 1 529 . 1 1 56 56 THR HB H 1 4.23 . . 1 . . . . . . . . 4424 1 530 . 1 1 56 56 THR HG21 H 1 1.24 . . 1 . . . . . . . . 4424 1 531 . 1 1 56 56 THR HG22 H 1 1.24 . . 1 . . . . . . . . 4424 1 532 . 1 1 56 56 THR HG23 H 1 1.24 . . 1 . . . . . . . . 4424 1 533 . 1 1 56 56 THR CA C 13 59.03 . . 1 . . . . . . . . 4424 1 534 . 1 1 56 56 THR CB C 13 67.28 . . 1 . . . . . . . . 4424 1 535 . 1 1 56 56 THR CG2 C 13 19.37 . . 1 . . . . . . . . 4424 1 536 . 1 1 56 56 THR N N 15 115.82 . . 1 . . . . . . . . 4424 1 537 . 1 1 57 57 THR H H 1 8.22 . . 1 . . . . . . . . 4424 1 538 . 1 1 57 57 THR HA H 1 4.31 . . 1 . . . . . . . . 4424 1 539 . 1 1 57 57 THR HB H 1 4.18 . . 1 . . . . . . . . 4424 1 540 . 1 1 57 57 THR HG21 H 1 1.04 . . 1 . . . . . . . . 4424 1 541 . 1 1 57 57 THR HG22 H 1 1.04 . . 1 . . . . . . . . 4424 1 542 . 1 1 57 57 THR HG23 H 1 1.04 . . 1 . . . . . . . . 4424 1 543 . 1 1 57 57 THR CA C 13 60.25 . . 1 . . . . . . . . 4424 1 544 . 1 1 57 57 THR CB C 13 68.25 . . 1 . . . . . . . . 4424 1 545 . 1 1 57 57 THR CG2 C 13 19.48 . . 1 . . . . . . . . 4424 1 546 . 1 1 57 57 THR N N 15 116.78 . . 1 . . . . . . . . 4424 1 547 . 1 1 58 58 SER H H 1 8.30 . . 1 . . . . . . . . 4424 1 548 . 1 1 58 58 SER HA H 1 4.32 . . 1 . . . . . . . . 4424 1 549 . 1 1 58 58 SER HB2 H 1 3.69 . . 1 . . . . . . . . 4424 1 550 . 1 1 58 58 SER HB3 H 1 3.69 . . 1 . . . . . . . . 4424 1 551 . 1 1 58 58 SER CA C 13 55.64 . . 1 . . . . . . . . 4424 1 552 . 1 1 58 58 SER CB C 13 61.35 . . 1 . . . . . . . . 4424 1 553 . 1 1 58 58 SER N N 15 119.92 . . 1 . . . . . . . . 4424 1 554 . 1 1 59 59 ASN H H 1 8.41 . . 1 . . . . . . . . 4424 1 555 . 1 1 59 59 ASN HA H 1 4.62 . . 1 . . . . . . . . 4424 1 556 . 1 1 59 59 ASN HB2 H 1 2.65 . . 2 . . . . . . . . 4424 1 557 . 1 1 59 59 ASN HB3 H 1 2.59 . . 2 . . . . . . . . 4424 1 558 . 1 1 59 59 ASN CA C 13 51.03 . . 1 . . . . . . . . 4424 1 559 . 1 1 59 59 ASN CB C 13 36.29 . . 1 . . . . . . . . 4424 1 560 . 1 1 59 59 ASN N N 15 122.75 . . 1 . . . . . . . . 4424 1 561 . 1 1 60 60 TYR H H 1 8.20 . . 1 . . . . . . . . 4424 1 562 . 1 1 60 60 TYR HA H 1 4.44 . . 1 . . . . . . . . 4424 1 563 . 1 1 60 60 TYR HB2 H 1 3.00 . . 2 . . . . . . . . 4424 1 564 . 1 1 60 60 TYR HB3 H 1 2.84 . . 2 . . . . . . . . 4424 1 565 . 1 1 60 60 TYR HD1 H 1 7.10 . . 1 . . . . . . . . 4424 1 566 . 1 1 60 60 TYR HD2 H 1 7.10 . . 1 . . . . . . . . 4424 1 567 . 1 1 60 60 TYR HE1 H 1 6.80 . . 1 . . . . . . . . 4424 1 568 . 1 1 60 60 TYR HE2 H 1 6.80 . . 1 . . . . . . . . 4424 1 569 . 1 1 60 60 TYR CA C 13 56.00 . . 1 . . . . . . . . 4424 1 570 . 1 1 60 60 TYR CB C 13 36.29 . . 1 . . . . . . . . 4424 1 571 . 1 1 60 60 TYR CD1 C 13 131.19 . . 1 . . . . . . . . 4424 1 572 . 1 1 60 60 TYR CD2 C 13 131.19 . . 1 . . . . . . . . 4424 1 573 . 1 1 60 60 TYR CE1 C 13 116.07 . . 1 . . . . . . . . 4424 1 574 . 1 1 60 60 TYR CE2 C 13 116.07 . . 1 . . . . . . . . 4424 1 575 . 1 1 60 60 TYR N N 15 122.90 . . 1 . . . . . . . . 4424 1 576 . 1 1 61 61 GLY H H 1 8.31 . . 1 . . . . . . . . 4424 1 577 . 1 1 61 61 GLY HA2 H 1 3.82 . . 1 . . . . . . . . 4424 1 578 . 1 1 61 61 GLY HA3 H 1 3.82 . . 1 . . . . . . . . 4424 1 579 . 1 1 61 61 GLY CA C 13 42.90 . . 1 . . . . . . . . 4424 1 580 . 1 1 61 61 GLY N N 15 112.94 . . 1 . . . . . . . . 4424 1 581 . 1 1 62 62 SER H H 1 8.14 . . 1 . . . . . . . . 4424 1 582 . 1 1 62 62 SER HA H 1 4.43 . . 1 . . . . . . . . 4424 1 583 . 1 1 62 62 SER HB2 H 1 3.78 . . 1 . . . . . . . . 4424 1 584 . 1 1 62 62 SER HB3 H 1 3.78 . . 1 . . . . . . . . 4424 1 585 . 1 1 62 62 SER CA C 13 56.28 . . 1 . . . . . . . . 4424 1 586 . 1 1 62 62 SER CB C 13 62.43 . . 1 . . . . . . . . 4424 1 587 . 1 1 62 62 SER N N 15 117.90 . . 1 . . . . . . . . 4424 1 588 . 1 1 63 63 SER H H 1 8.12 . . 1 . . . . . . . . 4424 1 589 . 1 1 63 63 SER HA H 1 4.40 . . 1 . . . . . . . . 4424 1 590 . 1 1 63 63 SER HB2 H 1 2.91 . . 1 . . . . . . . . 4424 1 591 . 1 1 63 63 SER HB3 H 1 2.91 . . 1 . . . . . . . . 4424 1 592 . 1 1 63 63 SER CA C 13 57.48 . . 1 . . . . . . . . 4424 1 593 . 1 1 63 63 SER N N 15 124.09 . . 1 . . . . . . . . 4424 1 stop_ save_