data_4072 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4072 _Entry.Title ; Sequence Specific 1HA, 15N, 13CA, and 13CB Assignments for RNA-1 Modulator Protein ROM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1997-11-13 _Entry.Accession_date 1998-01-07 _Entry.Last_release_date . _Entry.Original_release_date . _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 Jeffrey Pelton . G. . 4072 2 Kung-Yao Chang . . . 4072 3 Luis Comolli . R. . 4072 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4072 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 113 4072 '15N chemical shifts' 61 4072 '1H chemical shifts' 129 4072 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 . . 1998-02-25 . reformat BMRB 'converted to NMR-STAR version 2.1' 4072 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4072 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98356295 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Pelton, J. G., Chang, K-Y., and Comolli, L.R., "Sequence Specific 1HN, 15N, 1H Alpha, 13C Alpha, and 13C Beta Assignments for RNA-1 Modulator Protein ROM," J. Biomol. NMR 11, 463-464 (1998). ; _Citation.Title ; Sequence Specific 1HN, 15N, 1H Alpha, 13C Alpha, and 13C Beta Assignments for RNA-1 Modulator Protein ROM ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 463 _Citation.Page_last 464 _Citation.Year 1998 _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 Jeffrey Pelton . G. . 4072 1 2 Kung-Yao Chang . . . 4072 1 3 Luis Comolli . R. . 4072 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNA-Binding Protein' 4072 1 ROP 4072 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4072 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, J. H., Oldfield, E., Markley, J. L., and Sykes, B. D., J. Biomol. NMR 6, 135-140 (1995). ; _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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 'D S' Wishart D. S. . 4072 2 2 'C G' Bigam C. G. . 4072 2 3 J Yao J. . . 4072 2 4 F Abildgaard F. . . 4072 2 5 'H J' Dyson H. J. . 4072 2 6 E Oldfield E. . . 4072 2 7 'J L' Markley J. L. . 4072 2 8 'B D' Sykes B. D. . 4072 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ROM_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ROM_1 _Assembly.Entry_ID 4072 _Assembly.ID 1 _Assembly.Name RNA-1_Modulator_Protein _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4072 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 ROM_1 1 $ROM_1 . . yes native . . . . . 4072 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID RNA-1_Modulator_Protein system 4072 1 ROM abbreviation 4072 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA-1 modulator protein' 4072 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ROM_1 _Entity.Sf_category entity _Entity.Sf_framecode ROM_1 _Entity.Entry_ID 4072 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RNA-1 Modulator Protein' _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 ; GTKQEKTALNMARFIRSQTL TLLEKLNELDADEQADICES LHDHADELYRSCLARFGDDG ENL ; _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 . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 1B6Q . "Alanine 31 Proline Mutant Of Rop Protein" . . . . . 98.41 63 98.39 98.39 6.01e-35 . . . . 4072 1 2 no PDB 1GMG . "Alanine 31 Proline Mutant Of Rop Protein, Monoclinic Form" . . . . . 98.41 63 98.39 98.39 6.01e-35 . . . . 4072 1 3 no PDB 1GTO . "High Resolution Structure Of A Hyperstable Helical Bundle Protein Mutant" . . . . . 98.41 62 98.39 98.39 7.37e-35 . . . . 4072 1 4 no PDB 1ROP . "Structure Of The ColE1 Rop Protein At 1.7 Angstroms Resolution" . . . . . 98.41 63 100.00 100.00 1.86e-35 . . . . 4072 1 5 no PDB 1RPR . "The Structure Of Cole1 Rop In Solution" . . . . . 98.41 63 100.00 100.00 1.86e-35 . . . . 4072 1 6 no PDB 2GHY . "Novel Crystal Form Of The Cole1 Rom Protein" . . . . . 98.41 63 100.00 100.00 1.86e-35 . . . . 4072 1 7 no PDB 2IJH . "Crystal Structure Analysis Of Cole1 Rom Mutant F14w" . . . . . 100.00 63 98.41 100.00 7.07e-36 . . . . 4072 1 8 no PDB 2IJI . "Structure Of F14h Mutant Of Cole1 Rom Protein" . . . . . 100.00 63 98.41 98.41 2.84e-35 . . . . 4072 1 9 no PDB 2IJJ . "Crystal Structure Analysis Of Cole1 Rom Mutant F14y" . . . . . 100.00 63 98.41 100.00 5.50e-36 . . . . 4072 1 10 no PDB 2IJK . "Structure Of A Rom Protein Dimer At 1.55 Angstrom Resolution" . . . . . 100.00 63 100.00 100.00 2.09e-36 . . . . 4072 1 11 no DBJ BAG80513 . "RNA I inhibition modulator protein Rom [Escherichia coli SE11]" . . . . . 98.41 63 100.00 100.00 1.86e-35 . . . . 4072 1 12 no DBJ BAI28876 . "putative RNA I inhibition modulator protein Rom [Escherichia coli O26:H11 str. 11368]" . . . . . 98.41 63 98.39 98.39 9.18e-35 . . . . 4072 1 13 no DBJ GAA57893 . "regulatory protein rop, partial [Clonorchis sinensis]" . . . . . 98.41 98 100.00 100.00 5.28e-36 . . . . 4072 1 14 no DBJ GAM36836 . "regulatory protein [Talaromyces cellulolyticus]" . . . . . 98.41 74 100.00 100.00 9.17e-36 . . . . 4072 1 15 no EMBL CAN86930 . "rom/rop protein [Escherichia sp. Sflu5]" . . . . . 98.41 74 100.00 100.00 9.17e-36 . . . . 4072 1 16 no EMBL CAQ64790 . "rom/rop protein [Cloning vector pRG930cm]" . . . . . 98.41 74 100.00 100.00 9.17e-36 . . . . 4072 1 17 no EMBL CBJ04270 . "regulatory protein rop (RNA one modulator) (rom) [Escherichia coli ETEC H10407]" . . . . . 98.41 63 100.00 100.00 1.86e-35 . . . . 4072 1 18 no EMBL CBK33807 . "ROP protein [Cloning vector pNIC-NHS]" . . . . . 98.41 74 100.00 100.00 9.17e-36 . . . . 4072 1 19 no EMBL CBL93629 . "regulatory protein Rop [Escherichia coli ETEC 1392/75]" . . . . . 98.41 74 100.00 100.00 9.17e-36 . . . . 4072 1 20 no GB AAA73057 . "gene Rom (Rop) [unidentified cloning vector]" . . . . . 98.41 63 100.00 100.00 1.86e-35 . . . . 4072 1 21 no GB AAA87380 . "small palsmid-coded protein (galk) [Plasmid ColE1]" . . . . . 98.41 63 100.00 100.00 1.86e-35 . . . . 4072 1 22 no GB AAB59132 . "RNA I inhibition modulator protein (rom; gtg start codon) [Escherichia coli]" . . . . . 98.41 63 100.00 100.00 1.86e-35 . . . . 4072 1 23 no GB AAB59736 . "ROP protein [Cloning vector pBR322]" . . . . . 98.41 63 100.00 100.00 1.86e-35 . . . . 4072 1 24 no GB AAB97882 . "Rop [plasmid pETHIS-1]" . . . . . 98.41 63 100.00 100.00 1.86e-35 . . . . 4072 1 25 no REF NP_040367 . "RNA I inhibition modulator protein (rom; gtg start codon) [Escherichia coli]" . . . . . 98.41 63 100.00 100.00 1.86e-35 . . . . 4072 1 26 no REF NP_203136 . "RNAI modulator protein Rom (plasmid) [Salmonella enterica]" . . . . . 98.41 63 98.39 98.39 1.17e-34 . . . . 4072 1 27 no REF NP_604402 . "RNA I inhibition modulator protein Rom (plasmid) [Salmonella enterica subsp. enterica serovar Enteritidis]" . . . . . 98.41 63 100.00 100.00 1.86e-35 . . . . 4072 1 28 no REF NP_863575 . "Rom [Escherichia coli]" . . . . . 98.41 63 100.00 100.00 1.86e-35 . . . . 4072 1 29 no REF WP_000165975 . "hypothetical protein [Escherichia coli]" . . . . . 96.83 63 98.36 98.36 3.69e-34 . . . . 4072 1 30 no SP P03051 . "RecName: Full=Regulatory protein rop; AltName: Full=RNA one modulator; Short=ROM" . . . . . 98.41 63 100.00 100.00 1.86e-35 . . . . 4072 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RNA-1 Modulator Protein' common 4072 1 ROM abbreviation 4072 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'RNA binding protein' . 4072 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 . 4072 1 2 . THR . 4072 1 3 . LYS . 4072 1 4 . GLN . 4072 1 5 . GLU . 4072 1 6 . LYS . 4072 1 7 . THR . 4072 1 8 . ALA . 4072 1 9 . LEU . 4072 1 10 . ASN . 4072 1 11 . MET . 4072 1 12 . ALA . 4072 1 13 . ARG . 4072 1 14 . PHE . 4072 1 15 . ILE . 4072 1 16 . ARG . 4072 1 17 . SER . 4072 1 18 . GLN . 4072 1 19 . THR . 4072 1 20 . LEU . 4072 1 21 . THR . 4072 1 22 . LEU . 4072 1 23 . LEU . 4072 1 24 . GLU . 4072 1 25 . LYS . 4072 1 26 . LEU . 4072 1 27 . ASN . 4072 1 28 . GLU . 4072 1 29 . LEU . 4072 1 30 . ASP . 4072 1 31 . ALA . 4072 1 32 . ASP . 4072 1 33 . GLU . 4072 1 34 . GLN . 4072 1 35 . ALA . 4072 1 36 . ASP . 4072 1 37 . ILE . 4072 1 38 . CYS . 4072 1 39 . GLU . 4072 1 40 . SER . 4072 1 41 . LEU . 4072 1 42 . HIS . 4072 1 43 . ASP . 4072 1 44 . HIS . 4072 1 45 . ALA . 4072 1 46 . ASP . 4072 1 47 . GLU . 4072 1 48 . LEU . 4072 1 49 . TYR . 4072 1 50 . ARG . 4072 1 51 . SER . 4072 1 52 . CYS . 4072 1 53 . LEU . 4072 1 54 . ALA . 4072 1 55 . ARG . 4072 1 56 . PHE . 4072 1 57 . GLY . 4072 1 58 . ASP . 4072 1 59 . ASP . 4072 1 60 . GLY . 4072 1 61 . GLU . 4072 1 62 . ASN . 4072 1 63 . LEU . 4072 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 4072 1 . THR 2 2 4072 1 . LYS 3 3 4072 1 . GLN 4 4 4072 1 . GLU 5 5 4072 1 . LYS 6 6 4072 1 . THR 7 7 4072 1 . ALA 8 8 4072 1 . LEU 9 9 4072 1 . ASN 10 10 4072 1 . MET 11 11 4072 1 . ALA 12 12 4072 1 . ARG 13 13 4072 1 . PHE 14 14 4072 1 . ILE 15 15 4072 1 . ARG 16 16 4072 1 . SER 17 17 4072 1 . GLN 18 18 4072 1 . THR 19 19 4072 1 . LEU 20 20 4072 1 . THR 21 21 4072 1 . LEU 22 22 4072 1 . LEU 23 23 4072 1 . GLU 24 24 4072 1 . LYS 25 25 4072 1 . LEU 26 26 4072 1 . ASN 27 27 4072 1 . GLU 28 28 4072 1 . LEU 29 29 4072 1 . ASP 30 30 4072 1 . ALA 31 31 4072 1 . ASP 32 32 4072 1 . GLU 33 33 4072 1 . GLN 34 34 4072 1 . ALA 35 35 4072 1 . ASP 36 36 4072 1 . ILE 37 37 4072 1 . CYS 38 38 4072 1 . GLU 39 39 4072 1 . SER 40 40 4072 1 . LEU 41 41 4072 1 . HIS 42 42 4072 1 . ASP 43 43 4072 1 . HIS 44 44 4072 1 . ALA 45 45 4072 1 . ASP 46 46 4072 1 . GLU 47 47 4072 1 . LEU 48 48 4072 1 . TYR 49 49 4072 1 . ARG 50 50 4072 1 . SER 51 51 4072 1 . CYS 52 52 4072 1 . LEU 53 53 4072 1 . ALA 54 54 4072 1 . ARG 55 55 4072 1 . PHE 56 56 4072 1 . GLY 57 57 4072 1 . ASP 58 58 4072 1 . ASP 59 59 4072 1 . GLY 60 60 4072 1 . GLU 61 61 4072 1 . ASN 62 62 4072 1 . LEU 63 63 4072 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 4072 _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 $ROM_1 . 562 . . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . . ColE1 . . . . . . 4072 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 4072 _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 $ROM_1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . p2R . . . ; synthetic ( Plasmid p2R was a kind gift from L. Regan Predki et al., Cell 80, 41-50, (1995)) ; . . 4072 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_ROM_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_ROM_1 _Sample.Entry_ID 4072 _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 'RNA-1 Modulator Protein' '[U-15N; U-13C]' . . 1 $ROM_1 . . 2 . . mM . . . . 4072 1 2 phosphate_buffer . . . . . . . 10 . . mM . . . . 4072 1 3 dithiothreitol . . . . . . . 1 . . mM . . . . 4072 1 4 EDTA . . . . . . . 1 . . mM . . . . 4072 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4072 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.3 0.1 n/a 4072 1 pressure 1.0 0.1 atm 4072 1 temperature 303 1.0 K 4072 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4072 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4072 _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 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4072 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 4072 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4072 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 4072 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4072 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 4072 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_ROM_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_ROM_1 _Assigned_chem_shift_list.Entry_ID 4072 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_ROM_1 . 4072 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 7 7 THR H H 1 8.14 0.02 . 1 . . . . . . . . 4072 1 2 . 1 1 7 7 THR N N 15 116.0 0.20 . 1 . . . . . . . . 4072 1 3 . 1 1 7 7 THR CA C 13 66.5 0.20 . 1 . . . . . . . . 4072 1 4 . 1 1 7 7 THR HA H 1 4.03 0.02 . 1 . . . . . . . . 4072 1 5 . 1 1 7 7 THR CB C 13 68.5 0.20 . 1 . . . . . . . . 4072 1 6 . 1 1 8 8 ALA H H 1 7.61 0.02 . 1 . . . . . . . . 4072 1 7 . 1 1 8 8 ALA N N 15 123.9 0.20 . 1 . . . . . . . . 4072 1 8 . 1 1 8 8 ALA CA C 13 55.3 0.20 . 1 . . . . . . . . 4072 1 9 . 1 1 8 8 ALA HA H 1 4.00 0.02 . 1 . . . . . . . . 4072 1 10 . 1 1 8 8 ALA CB C 13 17.4 0.20 . 1 . . . . . . . . 4072 1 11 . 1 1 9 9 LEU H H 1 8.18 0.02 . 1 . . . . . . . . 4072 1 12 . 1 1 9 9 LEU N N 15 118.1 0.20 . 1 . . . . . . . . 4072 1 13 . 1 1 9 9 LEU CA C 13 58.3 0.20 . 1 . . . . . . . . 4072 1 14 . 1 1 9 9 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 4072 1 15 . 1 1 9 9 LEU CB C 13 42.5 0.20 . 1 . . . . . . . . 4072 1 16 . 1 1 10 10 ASN H H 1 8.66 0.02 . 1 . . . . . . . . 4072 1 17 . 1 1 10 10 ASN N N 15 116.8 0.20 . 1 . . . . . . . . 4072 1 18 . 1 1 10 10 ASN CA C 13 55.9 0.20 . 1 . . . . . . . . 4072 1 19 . 1 1 10 10 ASN HA H 1 4.58 0.02 . 1 . . . . . . . . 4072 1 20 . 1 1 10 10 ASN CB C 13 38.0 0.20 . 1 . . . . . . . . 4072 1 21 . 1 1 10 10 ASN HD21 H 1 7.04 0.02 . 2 . . . . . . . . 4072 1 22 . 1 1 10 10 ASN HD22 H 1 7.65 0.02 . 2 . . . . . . . . 4072 1 23 . 1 1 10 10 ASN ND2 N 15 111.9 0.20 . 1 . . . . . . . . 4072 1 24 . 1 1 11 11 MET H H 1 8.44 0.02 . 1 . . . . . . . . 4072 1 25 . 1 1 11 11 MET N N 15 121.2 0.20 . 1 . . . . . . . . 4072 1 26 . 1 1 11 11 MET CA C 13 59.7 0.20 . 1 . . . . . . . . 4072 1 27 . 1 1 11 11 MET HA H 1 4.40 0.02 . 1 . . . . . . . . 4072 1 28 . 1 1 11 11 MET CB C 13 33.4 0.20 . 1 . . . . . . . . 4072 1 29 . 1 1 12 12 ALA H H 1 8.63 0.02 . 1 . . . . . . . . 4072 1 30 . 1 1 12 12 ALA N N 15 122.3 0.20 . 1 . . . . . . . . 4072 1 31 . 1 1 12 12 ALA CA C 13 55.5 0.20 . 1 . . . . . . . . 4072 1 32 . 1 1 12 12 ALA HA H 1 4.15 0.02 . 1 . . . . . . . . 4072 1 33 . 1 1 12 12 ALA CB C 13 17.8 0.20 . 1 . . . . . . . . 4072 1 34 . 1 1 13 13 ARG H H 1 8.69 0.02 . 1 . . . . . . . . 4072 1 35 . 1 1 13 13 ARG N N 15 120.8 0.20 . 1 . . . . . . . . 4072 1 36 . 1 1 13 13 ARG CA C 13 59.8 0.20 . 1 . . . . . . . . 4072 1 37 . 1 1 13 13 ARG HA H 1 3.37 0.02 . 1 . . . . . . . . 4072 1 38 . 1 1 14 14 PHE H H 1 8.58 0.02 . 1 . . . . . . . . 4072 1 39 . 1 1 14 14 PHE N N 15 121.5 0.20 . 1 . . . . . . . . 4072 1 40 . 1 1 14 14 PHE CA C 13 60.6 0.20 . 1 . . . . . . . . 4072 1 41 . 1 1 14 14 PHE HA H 1 4.61 0.02 . 1 . . . . . . . . 4072 1 42 . 1 1 14 14 PHE CB C 13 39.0 0.20 . 1 . . . . . . . . 4072 1 43 . 1 1 14 14 PHE HD1 H 1 7.40 0.02 . 3 . . . . . . . . 4072 1 44 . 1 1 15 15 ILE H H 1 8.77 0.02 . 1 . . . . . . . . 4072 1 45 . 1 1 15 15 ILE N N 15 120.1 0.20 . 1 . . . . . . . . 4072 1 46 . 1 1 15 15 ILE CA C 13 66.2 0.20 . 1 . . . . . . . . 4072 1 47 . 1 1 15 15 ILE HA H 1 3.40 0.02 . 1 . . . . . . . . 4072 1 48 . 1 1 15 15 ILE CB C 13 38.5 0.20 . 1 . . . . . . . . 4072 1 49 . 1 1 16 16 ARG H H 1 7.81 0.02 . 1 . . . . . . . . 4072 1 50 . 1 1 16 16 ARG N N 15 119.5 0.20 . 1 . . . . . . . . 4072 1 51 . 1 1 16 16 ARG CA C 13 60.5 0.20 . 1 . . . . . . . . 4072 1 52 . 1 1 16 16 ARG HA H 1 3.93 0.02 . 1 . . . . . . . . 4072 1 53 . 1 1 16 16 ARG CB C 13 30.1 0.20 . 1 . . . . . . . . 4072 1 54 . 1 1 17 17 SER H H 1 8.33 0.02 . 1 . . . . . . . . 4072 1 55 . 1 1 17 17 SER N N 15 116.2 0.20 . 1 . . . . . . . . 4072 1 56 . 1 1 17 17 SER CA C 13 62.0 0.20 . 1 . . . . . . . . 4072 1 57 . 1 1 17 17 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 4072 1 58 . 1 1 17 17 SER CB C 13 62.8 0.20 . 1 . . . . . . . . 4072 1 59 . 1 1 18 18 GLN H H 1 8.72 0.02 . 1 . . . . . . . . 4072 1 60 . 1 1 18 18 GLN N N 15 121.8 0.20 . 1 . . . . . . . . 4072 1 61 . 1 1 18 18 GLN CA C 13 58.6 0.20 . 1 . . . . . . . . 4072 1 62 . 1 1 18 18 GLN HA H 1 4.05 0.02 . 1 . . . . . . . . 4072 1 63 . 1 1 18 18 GLN CB C 13 29.0 0.20 . 1 . . . . . . . . 4072 1 64 . 1 1 19 19 THR H H 1 8.32 0.02 . 1 . . . . . . . . 4072 1 65 . 1 1 19 19 THR N N 15 109.2 0.20 . 1 . . . . . . . . 4072 1 66 . 1 1 19 19 THR CA C 13 66.2 0.20 . 1 . . . . . . . . 4072 1 67 . 1 1 19 19 THR HA H 1 3.88 0.02 . 1 . . . . . . . . 4072 1 68 . 1 1 19 19 THR CB C 13 69.1 0.20 . 1 . . . . . . . . 4072 1 69 . 1 1 20 20 LEU H H 1 7.17 0.02 . 1 . . . . . . . . 4072 1 70 . 1 1 20 20 LEU N N 15 122.7 0.20 . 1 . . . . . . . . 4072 1 71 . 1 1 20 20 LEU CA C 13 57.4 0.20 . 1 . . . . . . . . 4072 1 72 . 1 1 20 20 LEU HA H 1 4.04 0.02 . 1 . . . . . . . . 4072 1 73 . 1 1 20 20 LEU CB C 13 41.5 0.20 . 1 . . . . . . . . 4072 1 74 . 1 1 21 21 THR H H 1 7.83 0.02 . 1 . . . . . . . . 4072 1 75 . 1 1 21 21 THR N N 15 117.7 0.20 . 1 . . . . . . . . 4072 1 76 . 1 1 21 21 THR CA C 13 66.3 0.20 . 1 . . . . . . . . 4072 1 77 . 1 1 21 21 THR HA H 1 4.05 0.02 . 1 . . . . . . . . 4072 1 78 . 1 1 21 21 THR CB C 13 68.5 0.20 . 1 . . . . . . . . 4072 1 79 . 1 1 22 22 LEU H H 1 8.31 0.02 . 1 . . . . . . . . 4072 1 80 . 1 1 22 22 LEU N N 15 121.9 0.20 . 1 . . . . . . . . 4072 1 81 . 1 1 22 22 LEU CA C 13 57.5 0.20 . 1 . . . . . . . . 4072 1 82 . 1 1 22 22 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 4072 1 83 . 1 1 22 22 LEU CB C 13 40.2 0.20 . 1 . . . . . . . . 4072 1 84 . 1 1 23 23 LEU H H 1 8.02 0.02 . 1 . . . . . . . . 4072 1 85 . 1 1 23 23 LEU N N 15 122.9 0.20 . 1 . . . . . . . . 4072 1 86 . 1 1 23 23 LEU CA C 13 58.8 0.20 . 1 . . . . . . . . 4072 1 87 . 1 1 23 23 LEU HA H 1 4.01 0.02 . 1 . . . . . . . . 4072 1 88 . 1 1 23 23 LEU CB C 13 42.2 0.20 . 1 . . . . . . . . 4072 1 89 . 1 1 24 24 GLU H H 1 7.68 0.02 . 1 . . . . . . . . 4072 1 90 . 1 1 24 24 GLU N N 15 117.3 0.20 . 1 . . . . . . . . 4072 1 91 . 1 1 24 24 GLU CA C 13 59.4 0.20 . 1 . . . . . . . . 4072 1 92 . 1 1 24 24 GLU HA H 1 4.14 0.02 . 1 . . . . . . . . 4072 1 93 . 1 1 24 24 GLU CB C 13 29.3 0.20 . 1 . . . . . . . . 4072 1 94 . 1 1 25 25 LYS H H 1 7.90 0.02 . 1 . . . . . . . . 4072 1 95 . 1 1 25 25 LYS N N 15 119.0 0.20 . 1 . . . . . . . . 4072 1 96 . 1 1 25 25 LYS CA C 13 58.3 0.20 . 1 . . . . . . . . 4072 1 97 . 1 1 25 25 LYS HA H 1 4.21 0.02 . 1 . . . . . . . . 4072 1 98 . 1 1 25 25 LYS CB C 13 31.5 0.20 . 1 . . . . . . . . 4072 1 99 . 1 1 26 26 LEU H H 1 8.92 0.02 . 1 . . . . . . . . 4072 1 100 . 1 1 26 26 LEU N N 15 119.4 0.20 . 1 . . . . . . . . 4072 1 101 . 1 1 26 26 LEU CA C 13 58.0 0.20 . 1 . . . . . . . . 4072 1 102 . 1 1 26 26 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 4072 1 103 . 1 1 26 26 LEU CB C 13 42.0 0.20 . 1 . . . . . . . . 4072 1 104 . 1 1 27 27 ASN H H 1 8.53 0.02 . 1 . . . . . . . . 4072 1 105 . 1 1 27 27 ASN N N 15 118.3 0.20 . 1 . . . . . . . . 4072 1 106 . 1 1 27 27 ASN CA C 13 55.9 0.20 . 1 . . . . . . . . 4072 1 107 . 1 1 27 27 ASN HA H 1 4.71 0.02 . 1 . . . . . . . . 4072 1 108 . 1 1 27 27 ASN CB C 13 38.1 0.20 . 1 . . . . . . . . 4072 1 109 . 1 1 27 27 ASN HD21 H 1 6.80 0.02 . 2 . . . . . . . . 4072 1 110 . 1 1 27 27 ASN HD22 H 1 7.38 0.02 . 2 . . . . . . . . 4072 1 111 . 1 1 27 27 ASN ND2 N 15 109.9 0.20 . 1 . . . . . . . . 4072 1 112 . 1 1 28 28 GLU H H 1 8.05 0.02 . 1 . . . . . . . . 4072 1 113 . 1 1 28 28 GLU N N 15 121.5 0.20 . 1 . . . . . . . . 4072 1 114 . 1 1 28 28 GLU CA C 13 58.7 0.20 . 1 . . . . . . . . 4072 1 115 . 1 1 28 28 GLU HA H 1 4.21 0.02 . 1 . . . . . . . . 4072 1 116 . 1 1 28 28 GLU CB C 13 29.7 0.20 . 1 . . . . . . . . 4072 1 117 . 1 1 29 29 LEU H H 1 7.34 0.02 . 1 . . . . . . . . 4072 1 118 . 1 1 29 29 LEU N N 15 117.9 0.20 . 1 . . . . . . . . 4072 1 119 . 1 1 29 29 LEU CA C 13 54.5 0.20 . 1 . . . . . . . . 4072 1 120 . 1 1 29 29 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 4072 1 121 . 1 1 29 29 LEU CB C 13 43.3 0.20 . 1 . . . . . . . . 4072 1 122 . 1 1 30 30 ASP H H 1 8.18 0.02 . 1 . . . . . . . . 4072 1 123 . 1 1 30 30 ASP N N 15 118.0 0.20 . 1 . . . . . . . . 4072 1 124 . 1 1 30 30 ASP CA C 13 55.0 0.20 . 1 . . . . . . . . 4072 1 125 . 1 1 30 30 ASP HA H 1 4.51 0.02 . 1 . . . . . . . . 4072 1 126 . 1 1 30 30 ASP CB C 13 38.9 0.20 . 1 . . . . . . . . 4072 1 127 . 1 1 31 31 ALA H H 1 7.91 0.02 . 1 . . . . . . . . 4072 1 128 . 1 1 31 31 ALA N N 15 122.8 0.20 . 1 . . . . . . . . 4072 1 129 . 1 1 31 31 ALA CA C 13 50.1 0.20 . 1 . . . . . . . . 4072 1 130 . 1 1 31 31 ALA HA H 1 4.84 0.02 . 1 . . . . . . . . 4072 1 131 . 1 1 31 31 ALA CB C 13 16.9 0.20 . 1 . . . . . . . . 4072 1 132 . 1 1 32 32 ASP H H 1 7.94 0.02 . 1 . . . . . . . . 4072 1 133 . 1 1 32 32 ASP N N 15 121.2 0.20 . 1 . . . . . . . . 4072 1 134 . 1 1 32 32 ASP CA C 13 58.3 0.20 . 1 . . . . . . . . 4072 1 135 . 1 1 32 32 ASP HA H 1 4.24 0.02 . 1 . . . . . . . . 4072 1 136 . 1 1 32 32 ASP CB C 13 40.3 0.20 . 1 . . . . . . . . 4072 1 137 . 1 1 33 33 GLU H H 1 8.95 0.02 . 1 . . . . . . . . 4072 1 138 . 1 1 33 33 GLU N N 15 119.5 0.20 . 1 . . . . . . . . 4072 1 139 . 1 1 33 33 GLU CA C 13 59.5 0.20 . 1 . . . . . . . . 4072 1 140 . 1 1 33 33 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 4072 1 141 . 1 1 33 33 GLU CB C 13 29.1 0.20 . 1 . . . . . . . . 4072 1 142 . 1 1 34 34 GLN H H 1 7.41 0.02 . 1 . . . . . . . . 4072 1 143 . 1 1 34 34 GLN N N 15 117.7 0.20 . 1 . . . . . . . . 4072 1 144 . 1 1 34 34 GLN CA C 13 60.7 0.20 . 1 . . . . . . . . 4072 1 145 . 1 1 34 34 GLN HA H 1 3.88 0.02 . 1 . . . . . . . . 4072 1 146 . 1 1 34 34 GLN CB C 13 27.4 0.20 . 1 . . . . . . . . 4072 1 147 . 1 1 34 34 GLN HE21 H 1 6.61 0.02 . 2 . . . . . . . . 4072 1 148 . 1 1 34 34 GLN HE22 H 1 6.69 0.02 . 2 . . . . . . . . 4072 1 149 . 1 1 34 34 GLN NE2 N 15 111.0 0.20 . 1 . . . . . . . . 4072 1 150 . 1 1 35 35 ALA H H 1 9.09 0.02 . 1 . . . . . . . . 4072 1 151 . 1 1 35 35 ALA N N 15 123.6 0.20 . 1 . . . . . . . . 4072 1 152 . 1 1 35 35 ALA CA C 13 55.7 0.20 . 1 . . . . . . . . 4072 1 153 . 1 1 35 35 ALA HA H 1 3.86 0.02 . 1 . . . . . . . . 4072 1 154 . 1 1 35 35 ALA CB C 13 17.6 0.20 . 1 . . . . . . . . 4072 1 155 . 1 1 36 36 ASP H H 1 8.12 0.02 . 1 . . . . . . . . 4072 1 156 . 1 1 36 36 ASP N N 15 118.1 0.20 . 1 . . . . . . . . 4072 1 157 . 1 1 36 36 ASP CA C 13 57.9 0.20 . 1 . . . . . . . . 4072 1 158 . 1 1 36 36 ASP HA H 1 4.47 0.02 . 1 . . . . . . . . 4072 1 159 . 1 1 36 36 ASP CB C 13 40.3 0.20 . 1 . . . . . . . . 4072 1 160 . 1 1 37 37 ILE H H 1 7.43 0.02 . 1 . . . . . . . . 4072 1 161 . 1 1 37 37 ILE N N 15 119.6 0.20 . 1 . . . . . . . . 4072 1 162 . 1 1 37 37 ILE CA C 13 64.7 0.20 . 1 . . . . . . . . 4072 1 163 . 1 1 37 37 ILE HA H 1 4.07 0.02 . 1 . . . . . . . . 4072 1 164 . 1 1 37 37 ILE CB C 13 38.1 0.20 . 1 . . . . . . . . 4072 1 165 . 1 1 38 38 CYS H H 1 8.83 0.02 . 1 . . . . . . . . 4072 1 166 . 1 1 38 38 CYS N N 15 121.4 0.20 . 1 . . . . . . . . 4072 1 167 . 1 1 38 38 CYS CA C 13 62.3 0.20 . 1 . . . . . . . . 4072 1 168 . 1 1 38 38 CYS HA H 1 4.08 0.02 . 1 . . . . . . . . 4072 1 169 . 1 1 38 38 CYS CB C 13 27.1 0.20 . 1 . . . . . . . . 4072 1 170 . 1 1 39 39 GLU H H 1 9.18 0.02 . 1 . . . . . . . . 4072 1 171 . 1 1 39 39 GLU N N 15 122.8 0.20 . 1 . . . . . . . . 4072 1 172 . 1 1 39 39 GLU CA C 13 60.4 0.20 . 1 . . . . . . . . 4072 1 173 . 1 1 39 39 GLU HA H 1 4.08 0.02 . 1 . . . . . . . . 4072 1 174 . 1 1 39 39 GLU CB C 13 28.8 0.20 . 1 . . . . . . . . 4072 1 175 . 1 1 40 40 SER H H 1 7.45 0.02 . 1 . . . . . . . . 4072 1 176 . 1 1 40 40 SER N N 15 114.1 0.20 . 1 . . . . . . . . 4072 1 177 . 1 1 40 40 SER CA C 13 60.9 0.20 . 1 . . . . . . . . 4072 1 178 . 1 1 40 40 SER HA H 1 4.55 0.02 . 1 . . . . . . . . 4072 1 179 . 1 1 40 40 SER CB C 13 62.8 0.20 . 1 . . . . . . . . 4072 1 180 . 1 1 41 41 LEU H H 1 8.90 0.02 . 1 . . . . . . . . 4072 1 181 . 1 1 41 41 LEU N N 15 124.8 0.20 . 1 . . . . . . . . 4072 1 182 . 1 1 41 41 LEU CA C 13 57.9 0.20 . 1 . . . . . . . . 4072 1 183 . 1 1 41 41 LEU HA H 1 3.68 0.02 . 1 . . . . . . . . 4072 1 184 . 1 1 41 41 LEU CB C 13 42.2 0.20 . 1 . . . . . . . . 4072 1 185 . 1 1 42 42 HIS H H 1 8.94 0.02 . 1 . . . . . . . . 4072 1 186 . 1 1 42 42 HIS N N 15 119.1 0.20 . 1 . . . . . . . . 4072 1 187 . 1 1 42 42 HIS CA C 13 59.9 0.20 . 1 . . . . . . . . 4072 1 188 . 1 1 42 42 HIS CB C 13 27.5 0.20 . 1 . . . . . . . . 4072 1 189 . 1 1 43 43 ASP H H 1 8.01 0.02 . 1 . . . . . . . . 4072 1 190 . 1 1 43 43 ASP N N 15 121.3 0.20 . 1 . . . . . . . . 4072 1 191 . 1 1 43 43 ASP CA C 13 57.6 0.20 . 1 . . . . . . . . 4072 1 192 . 1 1 43 43 ASP HA H 1 4.35 0.02 . 1 . . . . . . . . 4072 1 193 . 1 1 43 43 ASP CB C 13 39.8 0.20 . 1 . . . . . . . . 4072 1 194 . 1 1 44 44 HIS H H 1 8.50 0.02 . 1 . . . . . . . . 4072 1 195 . 1 1 44 44 HIS N N 15 122.5 0.20 . 1 . . . . . . . . 4072 1 196 . 1 1 44 44 HIS CA C 13 57.0 0.20 . 1 . . . . . . . . 4072 1 197 . 1 1 44 44 HIS HA H 1 4.72 0.02 . 1 . . . . . . . . 4072 1 198 . 1 1 44 44 HIS CB C 13 30.7 0.20 . 1 . . . . . . . . 4072 1 199 . 1 1 45 45 ALA H H 1 9.18 0.02 . 1 . . . . . . . . 4072 1 200 . 1 1 45 45 ALA N N 15 123.0 0.20 . 1 . . . . . . . . 4072 1 201 . 1 1 45 45 ALA CA C 13 54.6 0.20 . 1 . . . . . . . . 4072 1 202 . 1 1 45 45 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 4072 1 203 . 1 1 45 45 ALA CB C 13 17.7 0.20 . 1 . . . . . . . . 4072 1 204 . 1 1 46 46 ASP H H 1 8.70 0.02 . 1 . . . . . . . . 4072 1 205 . 1 1 46 46 ASP N N 15 121.6 0.20 . 1 . . . . . . . . 4072 1 206 . 1 1 46 46 ASP CA C 13 58.5 0.20 . 1 . . . . . . . . 4072 1 207 . 1 1 46 46 ASP HA H 1 4.53 0.02 . 1 . . . . . . . . 4072 1 208 . 1 1 46 46 ASP CB C 13 42.0 0.20 . 1 . . . . . . . . 4072 1 209 . 1 1 47 47 GLU H H 1 8.18 0.02 . 1 . . . . . . . . 4072 1 210 . 1 1 47 47 GLU N N 15 120.4 0.20 . 1 . . . . . . . . 4072 1 211 . 1 1 47 47 GLU CA C 13 59.9 0.20 . 1 . . . . . . . . 4072 1 212 . 1 1 47 47 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . 4072 1 213 . 1 1 47 47 GLU CB C 13 28.9 0.20 . 1 . . . . . . . . 4072 1 214 . 1 1 48 48 LEU H H 1 8.15 0.02 . 1 . . . . . . . . 4072 1 215 . 1 1 48 48 LEU N N 15 118.6 0.20 . 1 . . . . . . . . 4072 1 216 . 1 1 48 48 LEU CA C 13 58.0 0.20 . 1 . . . . . . . . 4072 1 217 . 1 1 48 48 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 4072 1 218 . 1 1 48 48 LEU CB C 13 40.1 0.20 . 1 . . . . . . . . 4072 1 219 . 1 1 49 49 TYR H H 1 8.72 0.02 . 1 . . . . . . . . 4072 1 220 . 1 1 49 49 TYR N N 15 120.7 0.20 . 1 . . . . . . . . 4072 1 221 . 1 1 49 49 TYR CA C 13 62.0 0.20 . 1 . . . . . . . . 4072 1 222 . 1 1 49 49 TYR HA H 1 4.10 0.02 . 1 . . . . . . . . 4072 1 223 . 1 1 49 49 TYR CB C 13 38.0 0.20 . 1 . . . . . . . . 4072 1 224 . 1 1 49 49 TYR HD1 H 1 6.83 0.02 . 3 . . . . . . . . 4072 1 225 . 1 1 49 49 TYR CD1 C 13 131.8 0.20 . 3 . . . . . . . . 4072 1 226 . 1 1 49 49 TYR HE1 H 1 7.05 0.02 . 3 . . . . . . . . 4072 1 227 . 1 1 49 49 TYR CE1 C 13 116.9 0.20 . 3 . . . . . . . . 4072 1 228 . 1 1 50 50 ARG H H 1 8.92 0.02 . 1 . . . . . . . . 4072 1 229 . 1 1 50 50 ARG N N 15 117.5 0.20 . 1 . . . . . . . . 4072 1 230 . 1 1 50 50 ARG CA C 13 60.2 0.20 . 1 . . . . . . . . 4072 1 231 . 1 1 50 50 ARG HA H 1 3.60 0.02 . 1 . . . . . . . . 4072 1 232 . 1 1 50 50 ARG CB C 13 29.9 0.20 . 1 . . . . . . . . 4072 1 233 . 1 1 51 51 SER H H 1 7.96 0.02 . 1 . . . . . . . . 4072 1 234 . 1 1 51 51 SER N N 15 114.4 0.20 . 1 . . . . . . . . 4072 1 235 . 1 1 51 51 SER CA C 13 61.2 0.20 . 1 . . . . . . . . 4072 1 236 . 1 1 51 51 SER HA H 1 4.22 0.02 . 1 . . . . . . . . 4072 1 237 . 1 1 51 51 SER CB C 13 63.5 0.20 . 1 . . . . . . . . 4072 1 238 . 1 1 52 52 CYS H H 1 8.45 0.02 . 1 . . . . . . . . 4072 1 239 . 1 1 52 52 CYS N N 15 116.5 0.20 . 1 . . . . . . . . 4072 1 240 . 1 1 52 52 CYS CA C 13 64.1 0.20 . 1 . . . . . . . . 4072 1 241 . 1 1 52 52 CYS HA H 1 3.71 0.02 . 1 . . . . . . . . 4072 1 242 . 1 1 52 52 CYS CB C 13 27.3 0.20 . 1 . . . . . . . . 4072 1 243 . 1 1 53 53 LEU H H 1 8.81 0.02 . 1 . . . . . . . . 4072 1 244 . 1 1 53 53 LEU N N 15 123.3 0.20 . 1 . . . . . . . . 4072 1 245 . 1 1 53 53 LEU CA C 13 57.9 0.20 . 1 . . . . . . . . 4072 1 246 . 1 1 53 53 LEU HA H 1 3.82 0.02 . 1 . . . . . . . . 4072 1 247 . 1 1 53 53 LEU CB C 13 42.0 0.20 . 1 . . . . . . . . 4072 1 248 . 1 1 54 54 ALA H H 1 7.56 0.02 . 1 . . . . . . . . 4072 1 249 . 1 1 54 54 ALA N N 15 119.8 0.20 . 1 . . . . . . . . 4072 1 250 . 1 1 54 54 ALA CA C 13 54.3 0.20 . 1 . . . . . . . . 4072 1 251 . 1 1 54 54 ALA HA H 1 4.08 0.02 . 1 . . . . . . . . 4072 1 252 . 1 1 54 54 ALA CB C 13 17.9 0.20 . 1 . . . . . . . . 4072 1 253 . 1 1 55 55 ARG H H 1 7.16 0.02 . 1 . . . . . . . . 4072 1 254 . 1 1 55 55 ARG N N 15 116.2 0.20 . 1 . . . . . . . . 4072 1 255 . 1 1 55 55 ARG CA C 13 57.6 0.20 . 1 . . . . . . . . 4072 1 256 . 1 1 55 55 ARG HA H 1 4.16 0.02 . 1 . . . . . . . . 4072 1 257 . 1 1 55 55 ARG CB C 13 31.1 0.20 . 1 . . . . . . . . 4072 1 258 . 1 1 56 56 PHE H H 1 8.60 0.02 . 1 . . . . . . . . 4072 1 259 . 1 1 56 56 PHE N N 15 114.8 0.20 . 1 . . . . . . . . 4072 1 260 . 1 1 56 56 PHE CA C 13 55.8 0.20 . 1 . . . . . . . . 4072 1 261 . 1 1 56 56 PHE HA H 1 5.03 0.02 . 1 . . . . . . . . 4072 1 262 . 1 1 56 56 PHE CB C 13 39.9 0.20 . 1 . . . . . . . . 4072 1 263 . 1 1 56 56 PHE HD1 H 1 7.03 0.02 . 4 . . . . . . . . 4072 1 264 . 1 1 56 56 PHE HE1 H 1 7.21 0.02 . 4 . . . . . . . . 4072 1 265 . 1 1 56 56 PHE HZ H 1 7.26 0.02 . 4 . . . . . . . . 4072 1 266 . 1 1 57 57 GLY H H 1 7.92 0.02 . 1 . . . . . . . . 4072 1 267 . 1 1 57 57 GLY N N 15 108.0 0.20 . 1 . . . . . . . . 4072 1 268 . 1 1 57 57 GLY CA C 13 44.9 0.20 . 1 . . . . . . . . 4072 1 269 . 1 1 57 57 GLY HA2 H 1 3.95 0.02 . 2 . . . . . . . . 4072 1 270 . 1 1 57 57 GLY HA3 H 1 4.33 0.02 . 2 . . . . . . . . 4072 1 271 . 1 1 58 58 ASP H H 1 8.16 0.02 . 1 . . . . . . . . 4072 1 272 . 1 1 58 58 ASP N N 15 117.2 0.20 . 1 . . . . . . . . 4072 1 273 . 1 1 58 58 ASP CA C 13 53.7 0.20 . 1 . . . . . . . . 4072 1 274 . 1 1 58 58 ASP HA H 1 4.66 0.02 . 1 . . . . . . . . 4072 1 275 . 1 1 58 58 ASP CB C 13 42.1 0.20 . 1 . . . . . . . . 4072 1 276 . 1 1 59 59 ASP H H 1 8.46 0.02 . 1 . . . . . . . . 4072 1 277 . 1 1 59 59 ASP N N 15 121.3 0.20 . 1 . . . . . . . . 4072 1 278 . 1 1 59 59 ASP CA C 13 54.1 0.20 . 1 . . . . . . . . 4072 1 279 . 1 1 59 59 ASP HA H 1 4.65 0.02 . 1 . . . . . . . . 4072 1 280 . 1 1 59 59 ASP CB C 13 41.1 0.20 . 1 . . . . . . . . 4072 1 281 . 1 1 60 60 GLY H H 1 8.56 0.02 . 1 . . . . . . . . 4072 1 282 . 1 1 60 60 GLY N N 15 109.0 0.20 . 1 . . . . . . . . 4072 1 283 . 1 1 60 60 GLY CA C 13 45.5 0.20 . 1 . . . . . . . . 4072 1 284 . 1 1 60 60 GLY HA2 H 1 3.99 0.02 . 2 . . . . . . . . 4072 1 285 . 1 1 60 60 GLY HA3 H 1 3.99 0.02 . 2 . . . . . . . . 4072 1 286 . 1 1 61 61 GLU H H 1 8.24 0.02 . 1 . . . . . . . . 4072 1 287 . 1 1 61 61 GLU N N 15 119.8 0.20 . 1 . . . . . . . . 4072 1 288 . 1 1 61 61 GLU CA C 13 56.4 0.20 . 1 . . . . . . . . 4072 1 289 . 1 1 61 61 GLU HA H 1 4.37 0.02 . 1 . . . . . . . . 4072 1 290 . 1 1 61 61 GLU CB C 13 30.2 0.20 . 1 . . . . . . . . 4072 1 291 . 1 1 62 62 ASN H H 1 8.56 0.02 . 1 . . . . . . . . 4072 1 292 . 1 1 62 62 ASN N N 15 119.5 0.20 . 1 . . . . . . . . 4072 1 293 . 1 1 62 62 ASN CA C 13 53.2 0.20 . 1 . . . . . . . . 4072 1 294 . 1 1 62 62 ASN HA H 1 4.80 0.02 . 1 . . . . . . . . 4072 1 295 . 1 1 62 62 ASN CB C 13 39.0 0.20 . 1 . . . . . . . . 4072 1 296 . 1 1 62 62 ASN HD21 H 1 6.97 0.02 . 2 . . . . . . . . 4072 1 297 . 1 1 62 62 ASN HD22 H 1 7.68 0.02 . 2 . . . . . . . . 4072 1 298 . 1 1 62 62 ASN ND2 N 15 113.4 0.20 . 1 . . . . . . . . 4072 1 299 . 1 1 63 63 LEU H H 1 7.85 0.02 . 1 . . . . . . . . 4072 1 300 . 1 1 63 63 LEU N N 15 127.6 0.20 . 1 . . . . . . . . 4072 1 301 . 1 1 63 63 LEU CA C 13 56.5 0.20 . 1 . . . . . . . . 4072 1 302 . 1 1 63 63 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 4072 1 303 . 1 1 63 63 LEU CB C 13 43.4 0.20 . 1 . . . . . . . . 4072 1 stop_ save_