data_4763 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4763 _Entry.Title ; 15N relaxation data and model-free parameters for the N-terminal receiver domain of double-mutant (D86N/A89T) unphosphorylated NtrC receiver domain (NtrCr(D86N/A89T)) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-06-14 _Entry.Accession_date 2000-06-14 _Entry.Last_release_date 2002-04-11 _Entry.Original_release_date 2002-04-11 _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 ; This BMRB deposition contains 15N relaxation parameters and model-free analysis results for 15N-labeled receiver domain of the double mutant NtrC(D86N/A89T), a partially active but unphosphorylated form of the protein NtrC from S. typhimurium. This study was undertaken in conjunction with similar experiments performed on two related forms of this protein, the inactive unphosphorylated wild type form, NtrCr, and the fully active, phosphorylated wild-type domain, P-NtrCr. The results obtained on the other two forms are contained in separate BMRB depositions. ; _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 D. Kern . . . 4763 2 B. Volkman . F. . 4763 3 D. Wemmer . E. . 4763 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 4763 heteronucl_T1_relaxation 1 4763 heteronucl_T2_relaxation 2 4763 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 97 4763 'T2 relaxation values' 194 4763 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 . . 2002-04-11 2000-06-14 original author . 4763 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4527 'Chemical shifts of NtrC wild type' 4763 BMRB 4528 'Chemical shifts of NtrC phosporylated' 4763 BMRB 4762 'Relaxation data of NtrCr wild type' 4763 BMRB 4764 'Relaxation data of NtrCr wt phosporylated' 4763 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4763 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Two-state allosteric behavior in a single domain signaling protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume 291 _Citation.Journal_issue . _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 2429 _Citation.Page_last 2433 _Citation.Year 2001 _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 Brian Volkman . F. . 4763 1 2 Doron Lipson . . . 4763 1 3 David Wemmer . E. . 4763 1 4 Dorothee Kern . . . 4763 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'conformational rearrangement' 4763 1 dynamics 4763 1 phosphorylation 4763 1 'receiver domain' 4763 1 'signal transduction' 4763 1 'two-component system' 4763 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4763 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7827089 _Citation.Full_citation ; Volkman BF, Nohaile MJ, Amy NK, Kustu S, Wemmer DE. Three-dimensional solution structure of the N-terminal receiver domain of NTRC. Biochemistry. 1995 Jan 31;34(4):1413-24. ; _Citation.Title 'Three-dimensional solution structure of the N-terminal receiver domain of NTRC.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 34 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-2960 _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 1413 _Citation.Page_last 1424 _Citation.Year 1995 _Citation.Details ; NTRC is a transcriptional enhancer binding protein whose N-terminal domain is a member of the family of receiver domains of two-component regulatory systems. Using 3D and 4D NMR spectroscopy, we have completed the 1H, 15N, and 13C assignments and determined the solution structure of the N-terminal receiver domain of the NTRC protein. Determination of the three-dimensional structure was carried out with the program X-PLOR (Brunger, 1992) using a total of 915 NMR-derived distance and dihedral angle restraints. The resultant family of structures has an average root mean square deviation of 0.81 A from the average structure for the backbone atoms involved in well-defined secondary structure. The structure is comprised of five alpha-helices and a five-stranded parallel beta-sheet, in a (beta/alpha)5 topology. Comparison of the solution structure of the NTRC receiver domain with the crystal structures of the homologous protein CheY in both the Mg(2+)-free and Mg(2+)-bound forms [Stock, A.M., Mottonen, J. M., Stock, J. B., & Schutt, C. E. (1989) Nature 337, 745-749; Volz, K., & Matsumura, P. (1991) J. Biol. Chem. 296, 15511-15519; Stock, A. M., Martinez-Hackert, E., Rasmussen, B. F., West, A. H., Stock, J. B., Ringe, D., & Petsko, G. A. (1993) Biochemistry 32, 13375-13380; Bellsolell, L., Prieto, J., Serrano, L., & Coll, M. (1994) J. Mol. Biol. 238, 489-495] reveals a very similar fold, with the only significant difference occurring in the positioning of helix 4 relative to the rest of the protein. Examination of the conformation of consensus residues of the receiver domain superfamily [Volz, K. (1993) Biochemistry 32, 11741-11753] in the structures of the NTRC receiver domain and CheY establishes the structural importance of residues whose side chains are involved in hydrogen bonding or hydrophobic core interactions. The importance of some nonconsensus residues which may be conserved for their ability to fulfill helix capping roles is also discussed. ; 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 'B. F.' Volkman B. F. . 4763 2 2 'M. J.' Nohaile M. J. . 4763 2 3 'N. K.' Amy N. K. . 4763 2 4 S. Kustu S. . . 4763 2 5 'D. E.' Wemmer D. E. . 4763 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NtrC _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NtrC _Assembly.Entry_ID 4763 _Assembly.ID 1 _Assembly.Name 'NITROGEN REGULATION 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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; The molecule studied here contains two amino acid substitutions (D86N and A89T) relative to the wild-type domain structure reported in this PDB entry. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4763 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 'NITROGEN REGULATION PROTEIN' 1 $NtrCr . . . native . . . . . 4763 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'NITROGEN REGULATION PROTEIN' system 4763 1 NtrC abbreviation 4763 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'enhancer-binding protein' 4763 1 'transcriptional regulation' 4763 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NtrCr _Entity.Sf_category entity _Entity.Sf_framecode NtrCr _Entity.Entry_ID 4763 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Nitrogen regulatory protein C N-terminal receiver domain' _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 ; MQRGIVWVVDDDSSIRWVLE RALAGAGLTCTTFENGNEVL AALASKTPDVLLSDIRMPGM DGLALLKQIKQRHPMLPVII MTAHSNLDTAVSAYQQGAFD YLPKPFDIDEAVALVERAIS HYQE ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; This corresponds to the N-terminal 124 residues of the full-length NtrC(D86N/A89T) protein. This is the N-terminal receiver domain from the double mutant NtrC(D86N/A89T), a constitutively active form of the protein NtrC (i.e., has partial activity even when unphosphorylated). ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 BMRB 4527 . NtrCr . . . . . 100.00 124 98.39 99.19 1.22e-83 . . . . 4763 1 2 no BMRB 4528 . P-NtrCr . . . . . 100.00 124 98.39 99.19 1.22e-83 . . . . 4763 1 3 no BMRB 4762 . NtrCr . . . . . 100.00 124 98.39 99.19 1.22e-83 . . . . 4763 1 4 no BMRB 4764 . NtrCr . . . . . 100.00 124 97.58 98.39 1.36e-82 . . . . 4763 1 5 no BMRB 5303 . NR(I) . . . . . 100.00 124 98.39 99.19 1.22e-83 . . . . 4763 1 6 no PDB 1DC7 . 'Structure Of A Transiently Phosphorylated "switch" In Bacterial Signal Transduction' . . . . . 99.19 124 98.37 99.19 1.10e-82 . . . . 4763 1 7 no PDB 1DC8 . 'Structure Of A Transiently Phosphorylated "switch" In Bacterial Signal Transduction' . . . . . 99.19 124 97.56 98.37 1.05e-81 . . . . 4763 1 8 no PDB 1J56 . "Minimized Average Structure Of Beryllofluoride-Activated Ntrc Receiver Domain: Model Structure Incorporating Active Site Contac" . . . . . 100.00 124 98.39 99.19 1.22e-83 . . . . 4763 1 9 no PDB 1KRW . "Solution Structure And Backbone Dynamics Of Beryllofluoride- Activated Ntrc Receiver Domain" . . . . . 99.19 124 98.37 99.19 9.61e-83 . . . . 4763 1 10 no PDB 1KRX . "Solution Structure Of Beryllofluoride-Activated Ntrc Receiver Domain: Model Structures Incorporating Active Site Contacts" . . . . . 100.00 124 98.39 99.19 1.22e-83 . . . . 4763 1 11 no PDB 1NTR . "Solution Structure Of The N-Terminal Receiver Domain Of Ntrc" . . . . . 100.00 124 98.39 99.19 1.22e-83 . . . . 4763 1 12 no DBJ BAJ39092 . "nitrogen regulation protein NR(I) [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" . . . . . 100.00 469 98.39 99.19 2.78e-79 . . . . 4763 1 13 no DBJ BAP09964 . "two-component system, response regulator [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" . . . . . 100.00 469 98.39 99.19 2.78e-79 . . . . 4763 1 14 no EMBL CAA59425 . "nitrogen regulatory protein C [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 469 98.39 99.19 2.90e-79 . . . . 4763 1 15 no EMBL CAD03095 . "Two-component system, response regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 469 97.58 98.39 1.88e-78 . . . . 4763 1 16 no EMBL CAR35368 . "Two-component system, response regulator [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" . . . . . 100.00 469 98.39 99.19 2.78e-79 . . . . 4763 1 17 no EMBL CAR39210 . "Two-component system, response regulator [Salmonella enterica subsp. enterica serovar Gallinarum str. 287/91]" . . . . . 100.00 469 98.39 99.19 2.78e-79 . . . . 4763 1 18 no EMBL CAR61856 . "two-component system, response regulator [Salmonella enterica subsp. enterica serovar Paratyphi A str. AKU_12601]" . . . . . 100.00 469 98.39 99.19 2.72e-79 . . . . 4763 1 19 no GB AAL22844 . "EBP family response regulator in two-component regulatory system with GlnL [Salmonella enterica subsp. enterica serovar Typhimu" . . . . . 100.00 469 98.39 99.19 2.78e-79 . . . . 4763 1 20 no GB AAO71117 . "two-component system, response regulator [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" . . . . . 100.00 469 97.58 98.39 1.88e-78 . . . . 4763 1 21 no GB AAV79614 . "two-component system, response regulator [Salmonella enterica subsp. enterica serovar Paratyphi A str. ATCC 9150]" . . . . . 100.00 469 98.39 99.19 2.72e-79 . . . . 4763 1 22 no GB AAX67803 . "response regulator in two-component regulatory system with GlnL (EBP family) [Salmonella enterica subsp. enterica serovar Chole" . . . . . 100.00 488 98.39 99.19 4.62e-79 . . . . 4763 1 23 no GB ABX70260 . "hypothetical protein SPAB_04968 [Salmonella enterica subsp. enterica serovar Paratyphi B str. SPB7]" . . . . . 100.00 469 98.39 99.19 2.42e-79 . . . . 4763 1 24 no PIR AC0950 . "Two-component system, response regulator STY3876 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 469 97.58 98.39 1.88e-78 . . . . 4763 1 25 no REF NP_458044 . "two-component system response regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 469 97.58 98.39 1.88e-78 . . . . 4763 1 26 no REF NP_462885 . "nitrogen regulation protein NR(I) [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 469 98.39 99.19 2.78e-79 . . . . 4763 1 27 no REF NP_807257 . "nitrogen regulation protein NR(I) [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" . . . . . 100.00 469 97.58 98.39 1.88e-78 . . . . 4763 1 28 no REF WP_001188773 . "nitrogen regulation protein NR(I) [Salmonella enterica]" . . . . . 100.00 469 97.58 98.39 1.90e-78 . . . . 4763 1 29 no REF WP_001188774 . "nitrogen regulation protein NR(I) [Salmonella enterica]" . . . . . 100.00 469 97.58 98.39 1.88e-78 . . . . 4763 1 30 no SP P41789 . "RecName: Full=Nitrogen regulation protein NR(I) [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 469 98.39 99.19 2.78e-79 . . . . 4763 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID D86N/A89T variant 4763 1 'Nitrogen regulatory protein C N-terminal receiver domain' common 4763 1 NtrCr(D86N/A89T) abbreviation 4763 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4763 1 2 . GLN . 4763 1 3 . ARG . 4763 1 4 . GLY . 4763 1 5 . ILE . 4763 1 6 . VAL . 4763 1 7 . TRP . 4763 1 8 . VAL . 4763 1 9 . VAL . 4763 1 10 . ASP . 4763 1 11 . ASP . 4763 1 12 . ASP . 4763 1 13 . SER . 4763 1 14 . SER . 4763 1 15 . ILE . 4763 1 16 . ARG . 4763 1 17 . TRP . 4763 1 18 . VAL . 4763 1 19 . LEU . 4763 1 20 . GLU . 4763 1 21 . ARG . 4763 1 22 . ALA . 4763 1 23 . LEU . 4763 1 24 . ALA . 4763 1 25 . GLY . 4763 1 26 . ALA . 4763 1 27 . GLY . 4763 1 28 . LEU . 4763 1 29 . THR . 4763 1 30 . CYS . 4763 1 31 . THR . 4763 1 32 . THR . 4763 1 33 . PHE . 4763 1 34 . GLU . 4763 1 35 . ASN . 4763 1 36 . GLY . 4763 1 37 . ASN . 4763 1 38 . GLU . 4763 1 39 . VAL . 4763 1 40 . LEU . 4763 1 41 . ALA . 4763 1 42 . ALA . 4763 1 43 . LEU . 4763 1 44 . ALA . 4763 1 45 . SER . 4763 1 46 . LYS . 4763 1 47 . THR . 4763 1 48 . PRO . 4763 1 49 . ASP . 4763 1 50 . VAL . 4763 1 51 . LEU . 4763 1 52 . LEU . 4763 1 53 . SER . 4763 1 54 . ASP . 4763 1 55 . ILE . 4763 1 56 . ARG . 4763 1 57 . MET . 4763 1 58 . PRO . 4763 1 59 . GLY . 4763 1 60 . MET . 4763 1 61 . ASP . 4763 1 62 . GLY . 4763 1 63 . LEU . 4763 1 64 . ALA . 4763 1 65 . LEU . 4763 1 66 . LEU . 4763 1 67 . LYS . 4763 1 68 . GLN . 4763 1 69 . ILE . 4763 1 70 . LYS . 4763 1 71 . GLN . 4763 1 72 . ARG . 4763 1 73 . HIS . 4763 1 74 . PRO . 4763 1 75 . MET . 4763 1 76 . LEU . 4763 1 77 . PRO . 4763 1 78 . VAL . 4763 1 79 . ILE . 4763 1 80 . ILE . 4763 1 81 . MET . 4763 1 82 . THR . 4763 1 83 . ALA . 4763 1 84 . HIS . 4763 1 85 . SER . 4763 1 86 . ASN . 4763 1 87 . LEU . 4763 1 88 . ASP . 4763 1 89 . THR . 4763 1 90 . ALA . 4763 1 91 . VAL . 4763 1 92 . SER . 4763 1 93 . ALA . 4763 1 94 . TYR . 4763 1 95 . GLN . 4763 1 96 . GLN . 4763 1 97 . GLY . 4763 1 98 . ALA . 4763 1 99 . PHE . 4763 1 100 . ASP . 4763 1 101 . TYR . 4763 1 102 . LEU . 4763 1 103 . PRO . 4763 1 104 . LYS . 4763 1 105 . PRO . 4763 1 106 . PHE . 4763 1 107 . ASP . 4763 1 108 . ILE . 4763 1 109 . ASP . 4763 1 110 . GLU . 4763 1 111 . ALA . 4763 1 112 . VAL . 4763 1 113 . ALA . 4763 1 114 . LEU . 4763 1 115 . VAL . 4763 1 116 . GLU . 4763 1 117 . ARG . 4763 1 118 . ALA . 4763 1 119 . ILE . 4763 1 120 . SER . 4763 1 121 . HIS . 4763 1 122 . TYR . 4763 1 123 . GLN . 4763 1 124 . GLU . 4763 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4763 1 . GLN 2 2 4763 1 . ARG 3 3 4763 1 . GLY 4 4 4763 1 . ILE 5 5 4763 1 . VAL 6 6 4763 1 . TRP 7 7 4763 1 . VAL 8 8 4763 1 . VAL 9 9 4763 1 . ASP 10 10 4763 1 . ASP 11 11 4763 1 . ASP 12 12 4763 1 . SER 13 13 4763 1 . SER 14 14 4763 1 . ILE 15 15 4763 1 . ARG 16 16 4763 1 . TRP 17 17 4763 1 . VAL 18 18 4763 1 . LEU 19 19 4763 1 . GLU 20 20 4763 1 . ARG 21 21 4763 1 . ALA 22 22 4763 1 . LEU 23 23 4763 1 . ALA 24 24 4763 1 . GLY 25 25 4763 1 . ALA 26 26 4763 1 . GLY 27 27 4763 1 . LEU 28 28 4763 1 . THR 29 29 4763 1 . CYS 30 30 4763 1 . THR 31 31 4763 1 . THR 32 32 4763 1 . PHE 33 33 4763 1 . GLU 34 34 4763 1 . ASN 35 35 4763 1 . GLY 36 36 4763 1 . ASN 37 37 4763 1 . GLU 38 38 4763 1 . VAL 39 39 4763 1 . LEU 40 40 4763 1 . ALA 41 41 4763 1 . ALA 42 42 4763 1 . LEU 43 43 4763 1 . ALA 44 44 4763 1 . SER 45 45 4763 1 . LYS 46 46 4763 1 . THR 47 47 4763 1 . PRO 48 48 4763 1 . ASP 49 49 4763 1 . VAL 50 50 4763 1 . LEU 51 51 4763 1 . LEU 52 52 4763 1 . SER 53 53 4763 1 . ASP 54 54 4763 1 . ILE 55 55 4763 1 . ARG 56 56 4763 1 . MET 57 57 4763 1 . PRO 58 58 4763 1 . GLY 59 59 4763 1 . MET 60 60 4763 1 . ASP 61 61 4763 1 . GLY 62 62 4763 1 . LEU 63 63 4763 1 . ALA 64 64 4763 1 . LEU 65 65 4763 1 . LEU 66 66 4763 1 . LYS 67 67 4763 1 . GLN 68 68 4763 1 . ILE 69 69 4763 1 . LYS 70 70 4763 1 . GLN 71 71 4763 1 . ARG 72 72 4763 1 . HIS 73 73 4763 1 . PRO 74 74 4763 1 . MET 75 75 4763 1 . LEU 76 76 4763 1 . PRO 77 77 4763 1 . VAL 78 78 4763 1 . ILE 79 79 4763 1 . ILE 80 80 4763 1 . MET 81 81 4763 1 . THR 82 82 4763 1 . ALA 83 83 4763 1 . HIS 84 84 4763 1 . SER 85 85 4763 1 . ASN 86 86 4763 1 . LEU 87 87 4763 1 . ASP 88 88 4763 1 . THR 89 89 4763 1 . ALA 90 90 4763 1 . VAL 91 91 4763 1 . SER 92 92 4763 1 . ALA 93 93 4763 1 . TYR 94 94 4763 1 . GLN 95 95 4763 1 . GLN 96 96 4763 1 . GLY 97 97 4763 1 . ALA 98 98 4763 1 . PHE 99 99 4763 1 . ASP 100 100 4763 1 . TYR 101 101 4763 1 . LEU 102 102 4763 1 . PRO 103 103 4763 1 . LYS 104 104 4763 1 . PRO 105 105 4763 1 . PHE 106 106 4763 1 . ASP 107 107 4763 1 . ILE 108 108 4763 1 . ASP 109 109 4763 1 . GLU 110 110 4763 1 . ALA 111 111 4763 1 . VAL 112 112 4763 1 . ALA 113 113 4763 1 . LEU 114 114 4763 1 . VAL 115 115 4763 1 . GLU 116 116 4763 1 . ARG 117 117 4763 1 . ALA 118 118 4763 1 . ILE 119 119 4763 1 . SER 120 120 4763 1 . HIS 121 121 4763 1 . TYR 122 122 4763 1 . GLN 123 123 4763 1 . GLU 124 124 4763 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 4763 _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 $NtrCr . 602 organism . 'Salmonella typhimurium' Bacteria . . Eubacteria . Salmonella typhimurium . . . . . . . . . . . . . . . . . . . . . 4763 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 4763 _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 $NtrCr . 'recombinant technology' 'Escherichia coli' Bacteria . . Escherichia coli BL21 . . . . . . . . . . . . . . . . . . . . . . 4763 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4763 _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 'Nitrogen regulatory protein C N-terminal receiver domain' '[U-99% 15N]' . . 1 $NtrCr . . 0.9 . . mM . . . . 4763 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 4763 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 4763 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 5 mM 4763 1 pH 6.75 0.2 n/a 4763 1 pressure 1 . atm 4763 1 temperature 298 1 K 4763 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4763 _Software.ID 1 _Software.Name FELIX _Software.Version 95.0 _Software.Details 'Commercial software from MSI' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4763 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4763 _Software.ID 2 _Software.Name xwinnmr _Software.Version 2.1 _Software.Details BRUKER loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 4763 2 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 4763 _Software.ID 3 _Software.Name ModelFree _Software.Version 4.01 _Software.Details ; Provided by Prof. Arthur G. Palmer of Columbia University. Palmer, A. G.,Rance, M. & Wright, P. E. (1991) J. Am. Chem. Soc. 113, 4371-4380. Mandel, A. M.,Akke, M. & Palmer, A. G. (1995) J. Mol. Bio 246, 144-163. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4763 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4763 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4763 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4763 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 BRUKER DMX . 600 . . . 4763 1 2 NMR_spectrometer_2 BRUKER DMX . 750 . . . 4763 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 4763 _Experiment_list.ID 1 _Experiment_list.Details ; All pulse schemes utilized gradients for sensitivity enhancement and selective pulses for water flip-back (Farrow, N.A. et al, Biochemistry (1994), 33, 5984-6003. Data for R1 and R2 measurements were acquired with 16 scans per FID, 220 complex 15N points and 512 complex 1H points. Heteronuclear NOE measurements were acquired similarly, but with 24 scans per FID. Spectral widths at 750 (600) MHz were 10000 (8012.82) Hz in the 1H dimension and 2222.22 (1778.09) Hz in the 15N dimension. T2 values were obtained with 8 different durations of the delay T: 7.2, 14.4, 21.6, 28.8, 43.2, 57.6, 86.4, 115.2 ms. T1 values were obtained with T = 10, 20, 60, 120, 200, 400, 800 and 1400 ms. Duplicate spectra were recorded for T = 10 and 400 ms (T1) and T = 7.2 and 57.6 ms (T2) for estimation of peak height uncertainties. Pulse programs used for this study for Bruker Avance NMR spectrometers are available at http://www.nmrfam.wisc.edu/~volkman/pp/pulprog.html Both spectrometers were equipped with three-axis gradients and triple-resonance probeheads. ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4763 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4763 _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 . indirect 0.251449530 . . . . . . . . . 4763 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4763 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4763 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_750 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_750 _Heteronucl_NOE_list.Entry_ID 4763 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_cond_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 4763 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ARG H H 1 . 1 1 3 3 ARG N N 15 0.500 0.050 . . . . . . . . . . 4763 1 2 . 1 1 4 4 GLY H H 1 . 1 1 4 4 GLY N N 15 0.648 0.050 . . . . . . . . . . 4763 1 3 . 1 1 5 5 ILE H H 1 . 1 1 5 5 ILE N N 15 0.876 0.050 . . . . . . . . . . 4763 1 4 . 1 1 6 6 VAL H H 1 . 1 1 6 6 VAL N N 15 0.870 0.050 . . . . . . . . . . 4763 1 5 . 1 1 7 7 TRP H H 1 . 1 1 7 7 TRP N N 15 0.864 0.050 . . . . . . . . . . 4763 1 6 . 1 1 8 8 VAL H H 1 . 1 1 8 8 VAL N N 15 0.840 0.050 . . . . . . . . . . 4763 1 7 . 1 1 9 9 VAL H H 1 . 1 1 9 9 VAL N N 15 0.870 0.050 . . . . . . . . . . 4763 1 8 . 1 1 10 10 ASP H H 1 . 1 1 10 10 ASP N N 15 0.853 0.050 . . . . . . . . . . 4763 1 9 . 1 1 11 11 ASP H H 1 . 1 1 11 11 ASP N N 15 0.812 0.050 . . . . . . . . . . 4763 1 10 . 1 1 12 12 ASP H H 1 . 1 1 12 12 ASP N N 15 0.833 0.050 . . . . . . . . . . 4763 1 11 . 1 1 13 13 SER H H 1 . 1 1 13 13 SER N N 15 0.838 0.050 . . . . . . . . . . 4763 1 12 . 1 1 14 14 SER H H 1 . 1 1 14 14 SER N N 15 0.851 0.050 . . . . . . . . . . 4763 1 13 . 1 1 15 15 ILE H H 1 . 1 1 15 15 ILE N N 15 0.835 0.050 . . . . . . . . . . 4763 1 14 . 1 1 16 16 ARG H H 1 . 1 1 16 16 ARG N N 15 0.859 0.050 . . . . . . . . . . 4763 1 15 . 1 1 17 17 TRP H H 1 . 1 1 17 17 TRP N N 15 0.827 0.050 . . . . . . . . . . 4763 1 16 . 1 1 18 18 VAL H H 1 . 1 1 18 18 VAL N N 15 0.793 0.050 . . . . . . . . . . 4763 1 17 . 1 1 20 20 GLU H H 1 . 1 1 20 20 GLU N N 15 0.798 0.050 . . . . . . . . . . 4763 1 18 . 1 1 21 21 ARG H H 1 . 1 1 21 21 ARG N N 15 0.805 0.050 . . . . . . . . . . 4763 1 19 . 1 1 22 22 ALA H H 1 . 1 1 22 22 ALA N N 15 0.838 0.050 . . . . . . . . . . 4763 1 20 . 1 1 23 23 LEU H H 1 . 1 1 23 23 LEU N N 15 0.850 0.050 . . . . . . . . . . 4763 1 21 . 1 1 24 24 ALA H H 1 . 1 1 24 24 ALA N N 15 0.716 0.050 . . . . . . . . . . 4763 1 22 . 1 1 25 25 GLY H H 1 . 1 1 25 25 GLY N N 15 0.870 0.050 . . . . . . . . . . 4763 1 23 . 1 1 26 26 ALA H H 1 . 1 1 26 26 ALA N N 15 0.839 0.050 . . . . . . . . . . 4763 1 24 . 1 1 27 27 GLY H H 1 . 1 1 27 27 GLY N N 15 0.817 0.050 . . . . . . . . . . 4763 1 25 . 1 1 28 28 LEU H H 1 . 1 1 28 28 LEU N N 15 0.822 0.050 . . . . . . . . . . 4763 1 26 . 1 1 29 29 THR H H 1 . 1 1 29 29 THR N N 15 0.788 0.050 . . . . . . . . . . 4763 1 27 . 1 1 30 30 CYS H H 1 . 1 1 30 30 CYS N N 15 0.808 0.050 . . . . . . . . . . 4763 1 28 . 1 1 31 31 THR H H 1 . 1 1 31 31 THR N N 15 0.814 0.050 . . . . . . . . . . 4763 1 29 . 1 1 32 32 THR H H 1 . 1 1 32 32 THR N N 15 0.829 0.050 . . . . . . . . . . 4763 1 30 . 1 1 33 33 PHE H H 1 . 1 1 33 33 PHE N N 15 0.788 0.050 . . . . . . . . . . 4763 1 31 . 1 1 34 34 GLU H H 1 . 1 1 34 34 GLU N N 15 0.822 0.050 . . . . . . . . . . 4763 1 32 . 1 1 35 35 ASN H H 1 . 1 1 35 35 ASN N N 15 0.774 0.050 . . . . . . . . . . 4763 1 33 . 1 1 36 36 GLY H H 1 . 1 1 36 36 GLY N N 15 0.812 0.050 . . . . . . . . . . 4763 1 34 . 1 1 37 37 ASN H H 1 . 1 1 37 37 ASN N N 15 0.787 0.050 . . . . . . . . . . 4763 1 35 . 1 1 38 38 GLU H H 1 . 1 1 38 38 GLU N N 15 0.817 0.050 . . . . . . . . . . 4763 1 36 . 1 1 39 39 VAL H H 1 . 1 1 39 39 VAL N N 15 0.843 0.050 . . . . . . . . . . 4763 1 37 . 1 1 40 40 LEU H H 1 . 1 1 40 40 LEU N N 15 0.832 0.050 . . . . . . . . . . 4763 1 38 . 1 1 41 41 ALA H H 1 . 1 1 41 41 ALA N N 15 0.837 0.050 . . . . . . . . . . 4763 1 39 . 1 1 42 42 ALA H H 1 . 1 1 42 42 ALA N N 15 0.815 0.050 . . . . . . . . . . 4763 1 40 . 1 1 43 43 LEU H H 1 . 1 1 43 43 LEU N N 15 0.827 0.050 . . . . . . . . . . 4763 1 41 . 1 1 44 44 ALA H H 1 . 1 1 44 44 ALA N N 15 0.838 0.050 . . . . . . . . . . 4763 1 42 . 1 1 45 45 SER H H 1 . 1 1 45 45 SER N N 15 0.787 0.050 . . . . . . . . . . 4763 1 43 . 1 1 46 46 LYS H H 1 . 1 1 46 46 LYS N N 15 0.745 0.050 . . . . . . . . . . 4763 1 44 . 1 1 47 47 THR H H 1 . 1 1 47 47 THR N N 15 0.688 0.050 . . . . . . . . . . 4763 1 45 . 1 1 49 49 ASP H H 1 . 1 1 49 49 ASP N N 15 0.862 0.050 . . . . . . . . . . 4763 1 46 . 1 1 50 50 VAL H H 1 . 1 1 50 50 VAL N N 15 0.815 0.050 . . . . . . . . . . 4763 1 47 . 1 1 51 51 LEU H H 1 . 1 1 51 51 LEU N N 15 0.792 0.050 . . . . . . . . . . 4763 1 48 . 1 1 52 52 LEU H H 1 . 1 1 52 52 LEU N N 15 0.837 0.050 . . . . . . . . . . 4763 1 49 . 1 1 53 53 SER H H 1 . 1 1 53 53 SER N N 15 0.834 0.050 . . . . . . . . . . 4763 1 50 . 1 1 54 54 ASP H H 1 . 1 1 54 54 ASP N N 15 0.854 0.050 . . . . . . . . . . 4763 1 51 . 1 1 59 59 GLY H H 1 . 1 1 59 59 GLY N N 15 0.733 0.050 . . . . . . . . . . 4763 1 52 . 1 1 62 62 GLY H H 1 . 1 1 62 62 GLY N N 15 0.728 0.050 . . . . . . . . . . 4763 1 53 . 1 1 63 63 LEU H H 1 . 1 1 63 63 LEU N N 15 0.789 0.050 . . . . . . . . . . 4763 1 54 . 1 1 64 64 ALA H H 1 . 1 1 64 64 ALA N N 15 0.784 0.050 . . . . . . . . . . 4763 1 55 . 1 1 65 65 LEU H H 1 . 1 1 65 65 LEU N N 15 0.926 0.050 . . . . . . . . . . 4763 1 56 . 1 1 66 66 LEU H H 1 . 1 1 66 66 LEU N N 15 0.783 0.050 . . . . . . . . . . 4763 1 57 . 1 1 68 68 GLN H H 1 . 1 1 68 68 GLN N N 15 0.774 0.050 . . . . . . . . . . 4763 1 58 . 1 1 69 69 ILE H H 1 . 1 1 69 69 ILE N N 15 0.770 0.050 . . . . . . . . . . 4763 1 59 . 1 1 70 70 LYS H H 1 . 1 1 70 70 LYS N N 15 0.839 0.050 . . . . . . . . . . 4763 1 60 . 1 1 71 71 GLN H H 1 . 1 1 71 71 GLN N N 15 0.765 0.050 . . . . . . . . . . 4763 1 61 . 1 1 72 72 ARG H H 1 . 1 1 72 72 ARG N N 15 0.809 0.050 . . . . . . . . . . 4763 1 62 . 1 1 73 73 HIS H H 1 . 1 1 73 73 HIS N N 15 0.897 0.050 . . . . . . . . . . 4763 1 63 . 1 1 76 76 LEU H H 1 . 1 1 76 76 LEU N N 15 0.825 0.050 . . . . . . . . . . 4763 1 64 . 1 1 78 78 VAL H H 1 . 1 1 78 78 VAL N N 15 0.824 0.050 . . . . . . . . . . 4763 1 65 . 1 1 79 79 ILE H H 1 . 1 1 79 79 ILE N N 15 0.830 0.050 . . . . . . . . . . 4763 1 66 . 1 1 81 81 MET H H 1 . 1 1 81 81 MET N N 15 0.911 0.050 . . . . . . . . . . 4763 1 67 . 1 1 82 82 THR H H 1 . 1 1 82 82 THR N N 15 0.888 0.050 . . . . . . . . . . 4763 1 68 . 1 1 83 83 ALA H H 1 . 1 1 83 83 ALA N N 15 0.877 0.050 . . . . . . . . . . 4763 1 69 . 1 1 87 87 LEU H H 1 . 1 1 87 87 LEU N N 15 0.794 0.050 . . . . . . . . . . 4763 1 70 . 1 1 88 88 ASP H H 1 . 1 1 88 88 ASP N N 15 0.764 0.050 . . . . . . . . . . 4763 1 71 . 1 1 89 89 THR H H 1 . 1 1 89 89 THR N N 15 0.620 0.050 . . . . . . . . . . 4763 1 72 . 1 1 90 90 ALA H H 1 . 1 1 90 90 ALA N N 15 0.732 0.050 . . . . . . . . . . 4763 1 73 . 1 1 91 91 VAL H H 1 . 1 1 91 91 VAL N N 15 0.696 0.050 . . . . . . . . . . 4763 1 74 . 1 1 92 92 SER H H 1 . 1 1 92 92 SER N N 15 0.706 0.050 . . . . . . . . . . 4763 1 75 . 1 1 93 93 ALA H H 1 . 1 1 93 93 ALA N N 15 0.679 0.050 . . . . . . . . . . 4763 1 76 . 1 1 95 95 GLN H H 1 . 1 1 95 95 GLN N N 15 0.889 0.050 . . . . . . . . . . 4763 1 77 . 1 1 99 99 PHE H H 1 . 1 1 99 99 PHE N N 15 0.862 0.050 . . . . . . . . . . 4763 1 78 . 1 1 100 100 ASP H H 1 . 1 1 100 100 ASP N N 15 0.717 0.050 . . . . . . . . . . 4763 1 79 . 1 1 102 102 LEU H H 1 . 1 1 102 102 LEU N N 15 0.778 0.050 . . . . . . . . . . 4763 1 80 . 1 1 106 106 PHE H H 1 . 1 1 106 106 PHE N N 15 0.900 0.050 . . . . . . . . . . 4763 1 81 . 1 1 107 107 ASP H H 1 . 1 1 107 107 ASP N N 15 0.839 0.050 . . . . . . . . . . 4763 1 82 . 1 1 108 108 ILE H H 1 . 1 1 108 108 ILE N N 15 0.834 0.050 . . . . . . . . . . 4763 1 83 . 1 1 109 109 ASP H H 1 . 1 1 109 109 ASP N N 15 0.818 0.050 . . . . . . . . . . 4763 1 84 . 1 1 110 110 GLU H H 1 . 1 1 110 110 GLU N N 15 0.802 0.050 . . . . . . . . . . 4763 1 85 . 1 1 111 111 ALA H H 1 . 1 1 111 111 ALA N N 15 0.838 0.050 . . . . . . . . . . 4763 1 86 . 1 1 112 112 VAL H H 1 . 1 1 112 112 VAL N N 15 0.869 0.050 . . . . . . . . . . 4763 1 87 . 1 1 113 113 ALA H H 1 . 1 1 113 113 ALA N N 15 0.862 0.050 . . . . . . . . . . 4763 1 88 . 1 1 114 114 LEU H H 1 . 1 1 114 114 LEU N N 15 0.832 0.050 . . . . . . . . . . 4763 1 89 . 1 1 115 115 VAL H H 1 . 1 1 115 115 VAL N N 15 0.808 0.050 . . . . . . . . . . 4763 1 90 . 1 1 116 116 GLU H H 1 . 1 1 116 116 GLU N N 15 0.836 0.050 . . . . . . . . . . 4763 1 91 . 1 1 118 118 ALA H H 1 . 1 1 118 118 ALA N N 15 0.768 0.050 . . . . . . . . . . 4763 1 92 . 1 1 119 119 ILE H H 1 . 1 1 119 119 ILE N N 15 0.850 0.050 . . . . . . . . . . 4763 1 93 . 1 1 120 120 SER H H 1 . 1 1 120 120 SER N N 15 0.757 0.050 . . . . . . . . . . 4763 1 94 . 1 1 121 121 HIS H H 1 . 1 1 121 121 HIS N N 15 0.663 0.050 . . . . . . . . . . 4763 1 95 . 1 1 122 122 TYR H H 1 . 1 1 122 122 TYR N N 15 0.606 0.050 . . . . . . . . . . 4763 1 96 . 1 1 123 123 GLN H H 1 . 1 1 123 123 GLN N N 15 0.371 0.050 . . . . . . . . . . 4763 1 97 . 1 1 124 124 GLU H H 1 . 1 1 124 124 GLU N N 15 -0.075 0.050 . . . . . . . . . . 4763 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_set_750 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_set_750 _Heteronucl_T1_list.Entry_ID 4763 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_cond_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 750 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 4763 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 ARG N N 15 1.466 0.070 . . . . . 4763 1 2 . 1 1 4 4 GLY N N 15 1.377 0.049 . . . . . 4763 1 3 . 1 1 5 5 ILE N N 15 1.175 0.055 . . . . . 4763 1 4 . 1 1 6 6 VAL N N 15 1.157 0.057 . . . . . 4763 1 5 . 1 1 7 7 TRP N N 15 1.197 0.072 . . . . . 4763 1 6 . 1 1 8 8 VAL N N 15 1.084 0.065 . . . . . 4763 1 7 . 1 1 9 9 VAL N N 15 1.157 0.057 . . . . . 4763 1 8 . 1 1 10 10 ASP N N 15 1.211 0.073 . . . . . 4763 1 9 . 1 1 11 11 ASP N N 15 1.241 0.090 . . . . . 4763 1 10 . 1 1 12 12 ASP N N 15 1.297 0.081 . . . . . 4763 1 11 . 1 1 13 13 SER N N 15 1.298 0.104 . . . . . 4763 1 12 . 1 1 14 14 SER N N 15 1.343 0.081 . . . . . 4763 1 13 . 1 1 15 15 ILE N N 15 1.160 0.077 . . . . . 4763 1 14 . 1 1 16 16 ARG N N 15 1.171 0.056 . . . . . 4763 1 15 . 1 1 17 17 TRP N N 15 1.220 0.065 . . . . . 4763 1 16 . 1 1 18 18 VAL N N 15 1.235 0.050 . . . . . 4763 1 17 . 1 1 20 20 GLU N N 15 1.223 0.049 . . . . . 4763 1 18 . 1 1 21 21 ARG N N 15 1.107 0.033 . . . . . 4763 1 19 . 1 1 22 22 ALA N N 15 1.194 0.043 . . . . . 4763 1 20 . 1 1 23 23 LEU N N 15 1.188 0.058 . . . . . 4763 1 21 . 1 1 24 24 ALA N N 15 1.240 0.037 . . . . . 4763 1 22 . 1 1 25 25 GLY N N 15 1.184 0.039 . . . . . 4763 1 23 . 1 1 26 26 ALA N N 15 1.038 0.031 . . . . . 4763 1 24 . 1 1 27 27 GLY N N 15 1.216 0.052 . . . . . 4763 1 25 . 1 1 28 28 LEU N N 15 1.261 0.044 . . . . . 4763 1 26 . 1 1 29 29 THR N N 15 1.161 0.049 . . . . . 4763 1 27 . 1 1 30 30 CYS N N 15 1.134 0.070 . . . . . 4763 1 28 . 1 1 31 31 THR N N 15 1.116 0.087 . . . . . 4763 1 29 . 1 1 32 32 THR N N 15 1.188 0.063 . . . . . 4763 1 30 . 1 1 33 33 PHE N N 15 1.253 0.052 . . . . . 4763 1 31 . 1 1 34 34 GLU N N 15 1.127 0.044 . . . . . 4763 1 32 . 1 1 35 35 ASN N N 15 1.165 0.046 . . . . . 4763 1 33 . 1 1 36 36 GLY N N 15 1.100 0.147 . . . . . 4763 1 34 . 1 1 37 37 ASN N N 15 1.332 0.054 . . . . . 4763 1 35 . 1 1 38 38 GLU N N 15 1.168 0.042 . . . . . 4763 1 36 . 1 1 39 39 VAL N N 15 1.145 0.053 . . . . . 4763 1 37 . 1 1 40 40 LEU N N 15 1.120 0.026 . . . . . 4763 1 38 . 1 1 41 41 ALA N N 15 1.231 0.035 . . . . . 4763 1 39 . 1 1 42 42 ALA N N 15 1.125 0.031 . . . . . 4763 1 40 . 1 1 43 43 LEU N N 15 1.188 0.046 . . . . . 4763 1 41 . 1 1 44 44 ALA N N 15 1.181 0.041 . . . . . 4763 1 42 . 1 1 45 45 SER N N 15 1.260 0.079 . . . . . 4763 1 43 . 1 1 46 46 LYS N N 15 1.174 0.058 . . . . . 4763 1 44 . 1 1 47 47 THR N N 15 1.102 0.050 . . . . . 4763 1 45 . 1 1 49 49 ASP N N 15 1.070 0.071 . . . . . 4763 1 46 . 1 1 50 50 VAL N N 15 1.182 0.035 . . . . . 4763 1 47 . 1 1 51 51 LEU N N 15 1.236 0.067 . . . . . 4763 1 48 . 1 1 52 52 LEU N N 15 1.197 0.068 . . . . . 4763 1 49 . 1 1 53 53 SER N N 15 1.144 0.072 . . . . . 4763 1 50 . 1 1 54 54 ASP N N 15 1.318 0.096 . . . . . 4763 1 51 . 1 1 59 59 GLY N N 15 1.446 0.139 . . . . . 4763 1 52 . 1 1 62 62 GLY N N 15 0.854 0.458 . . . . . 4763 1 53 . 1 1 63 63 LEU N N 15 1.284 0.069 . . . . . 4763 1 54 . 1 1 64 64 ALA N N 15 1.330 0.087 . . . . . 4763 1 55 . 1 1 65 65 LEU N N 15 1.149 0.129 . . . . . 4763 1 56 . 1 1 66 66 LEU N N 15 1.466 0.123 . . . . . 4763 1 57 . 1 1 68 68 GLN N N 15 1.182 0.062 . . . . . 4763 1 58 . 1 1 69 69 ILE N N 15 1.262 0.059 . . . . . 4763 1 59 . 1 1 70 70 LYS N N 15 1.282 0.074 . . . . . 4763 1 60 . 1 1 71 71 GLN N N 15 1.254 0.063 . . . . . 4763 1 61 . 1 1 72 72 ARG N N 15 1.189 0.044 . . . . . 4763 1 62 . 1 1 73 73 HIS N N 15 1.108 0.059 . . . . . 4763 1 63 . 1 1 76 76 LEU N N 15 1.105 0.073 . . . . . 4763 1 64 . 1 1 78 78 VAL N N 15 1.233 0.096 . . . . . 4763 1 65 . 1 1 79 79 ILE N N 15 1.168 0.074 . . . . . 4763 1 66 . 1 1 81 81 MET N N 15 1.188 0.121 . . . . . 4763 1 67 . 1 1 82 82 THR N N 15 1.250 0.084 . . . . . 4763 1 68 . 1 1 83 83 ALA N N 15 1.408 0.131 . . . . . 4763 1 69 . 1 1 87 87 LEU N N 15 1.689 0.190 . . . . . 4763 1 70 . 1 1 88 88 ASP N N 15 1.236 0.084 . . . . . 4763 1 71 . 1 1 89 89 THR N N 15 1.362 0.117 . . . . . 4763 1 72 . 1 1 90 90 ALA N N 15 1.494 0.095 . . . . . 4763 1 73 . 1 1 91 91 VAL N N 15 1.302 0.074 . . . . . 4763 1 74 . 1 1 92 92 SER N N 15 1.383 0.115 . . . . . 4763 1 75 . 1 1 93 93 ALA N N 15 1.465 0.085 . . . . . 4763 1 76 . 1 1 95 95 GLN N N 15 1.441 0.304 . . . . . 4763 1 77 . 1 1 99 99 PHE N N 15 1.497 0.260 . . . . . 4763 1 78 . 1 1 100 100 ASP N N 15 1.392 0.112 . . . . . 4763 1 79 . 1 1 102 102 LEU N N 15 1.086 0.110 . . . . . 4763 1 80 . 1 1 106 106 PHE N N 15 1.177 0.054 . . . . . 4763 1 81 . 1 1 107 107 ASP N N 15 1.121 0.040 . . . . . 4763 1 82 . 1 1 108 108 ILE N N 15 1.206 0.040 . . . . . 4763 1 83 . 1 1 109 109 ASP N N 15 1.043 0.025 . . . . . 4763 1 84 . 1 1 110 110 GLU N N 15 1.140 0.035 . . . . . 4763 1 85 . 1 1 111 111 ALA N N 15 1.194 0.043 . . . . . 4763 1 86 . 1 1 112 112 VAL N N 15 1.148 0.043 . . . . . 4763 1 87 . 1 1 113 113 ALA N N 15 1.222 0.039 . . . . . 4763 1 88 . 1 1 114 114 LEU N N 15 1.213 0.031 . . . . . 4763 1 89 . 1 1 115 115 VAL N N 15 1.175 0.048 . . . . . 4763 1 90 . 1 1 116 116 GLU N N 15 1.194 0.055 . . . . . 4763 1 91 . 1 1 118 118 ALA N N 15 1.230 0.022 . . . . . 4763 1 92 . 1 1 119 119 ILE N N 15 1.135 0.038 . . . . . 4763 1 93 . 1 1 120 120 SER N N 15 1.319 0.053 . . . . . 4763 1 94 . 1 1 121 121 HIS N N 15 1.523 0.118 . . . . . 4763 1 95 . 1 1 122 122 TYR N N 15 1.428 0.074 . . . . . 4763 1 96 . 1 1 123 123 GLN N N 15 1.447 0.066 . . . . . 4763 1 97 . 1 1 124 124 GLU N N 15 1.248 0.033 . . . . . 4763 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_T2_relaxation_750 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_relaxation_750 _Heteronucl_T2_list.Entry_ID 4763 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_cond_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 750 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 4763 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ARG N N 15 5.268 0.052 . . . . . . . 4763 1 2 . 1 1 4 4 GLY N N 15 5.919 0.138 . . . . . . . 4763 1 3 . 1 1 5 5 ILE N N 15 9.884 0.353 . . . . . . . 4763 1 4 . 1 1 6 6 VAL N N 15 10.517 0.631 . . . . . . . 4763 1 5 . 1 1 7 7 TRP N N 15 10.247 0.248 . . . . . . . 4763 1 6 . 1 1 8 8 VAL N N 15 10.364 0.250 . . . . . . . 4763 1 7 . 1 1 9 9 VAL N N 15 10.517 0.631 . . . . . . . 4763 1 8 . 1 1 10 10 ASP N N 15 11.614 0.199 . . . . . . . 4763 1 9 . 1 1 11 11 ASP N N 15 13.833 0.407 . . . . . . . 4763 1 10 . 1 1 12 12 ASP N N 15 12.759 0.290 . . . . . . . 4763 1 11 . 1 1 13 13 SER N N 15 12.455 0.202 . . . . . . . 4763 1 12 . 1 1 14 14 SER N N 15 13.394 0.619 . . . . . . . 4763 1 13 . 1 1 15 15 ILE N N 15 11.465 0.306 . . . . . . . 4763 1 14 . 1 1 16 16 ARG N N 15 15.764 0.217 . . . . . . . 4763 1 15 . 1 1 17 17 TRP N N 15 10.785 0.115 . . . . . . . 4763 1 16 . 1 1 18 18 VAL N N 15 11.803 0.180 . . . . . . . 4763 1 17 . 1 1 20 20 GLU N N 15 10.620 0.181 . . . . . . . 4763 1 18 . 1 1 21 21 ARG N N 15 10.720 0.252 . . . . . . . 4763 1 19 . 1 1 22 22 ALA N N 15 10.264 0.176 . . . . . . . 4763 1 20 . 1 1 23 23 LEU N N 15 11.062 0.371 . . . . . . . 4763 1 21 . 1 1 24 24 ALA N N 15 10.822 0.167 . . . . . . . 4763 1 22 . 1 1 25 25 GLY N N 15 11.190 0.178 . . . . . . . 4763 1 23 . 1 1 26 26 ALA N N 15 9.382 0.280 . . . . . . . 4763 1 24 . 1 1 27 27 GLY N N 15 10.380 0.215 . . . . . . . 4763 1 25 . 1 1 28 28 LEU N N 15 11.227 0.096 . . . . . . . 4763 1 26 . 1 1 29 29 THR N N 15 10.145 0.101 . . . . . . . 4763 1 27 . 1 1 30 30 CYS N N 15 9.973 0.223 . . . . . . . 4763 1 28 . 1 1 31 31 THR N N 15 9.517 0.252 . . . . . . . 4763 1 29 . 1 1 32 32 THR N N 15 11.225 0.223 . . . . . . . 4763 1 30 . 1 1 33 33 PHE N N 15 11.170 0.406 . . . . . . . 4763 1 31 . 1 1 34 34 GLU N N 15 11.264 0.532 . . . . . . . 4763 1 32 . 1 1 35 35 ASN N N 15 11.378 0.615 . . . . . . . 4763 1 33 . 1 1 36 36 GLY N N 15 13.559 0.893 . . . . . . . 4763 1 34 . 1 1 37 37 ASN N N 15 10.867 0.095 . . . . . . . 4763 1 35 . 1 1 38 38 GLU N N 15 11.209 0.375 . . . . . . . 4763 1 36 . 1 1 39 39 VAL N N 15 10.419 0.327 . . . . . . . 4763 1 37 . 1 1 40 40 LEU N N 15 11.661 0.405 . . . . . . . 4763 1 38 . 1 1 41 41 ALA N N 15 11.056 0.094 . . . . . . . 4763 1 39 . 1 1 42 42 ALA N N 15 10.625 0.600 . . . . . . . 4763 1 40 . 1 1 43 43 LEU N N 15 11.268 0.176 . . . . . . . 4763 1 41 . 1 1 44 44 ALA N N 15 10.431 0.183 . . . . . . . 4763 1 42 . 1 1 45 45 SER N N 15 9.450 0.348 . . . . . . . 4763 1 43 . 1 1 46 46 LYS N N 15 10.811 0.436 . . . . . . . 4763 1 44 . 1 1 47 47 THR N N 15 9.023 0.193 . . . . . . . 4763 1 45 . 1 1 49 49 ASP N N 15 10.506 0.590 . . . . . . . 4763 1 46 . 1 1 50 50 VAL N N 15 11.954 0.400 . . . . . . . 4763 1 47 . 1 1 51 51 LEU N N 15 11.024 0.307 . . . . . . . 4763 1 48 . 1 1 52 52 LEU N N 15 10.739 0.446 . . . . . . . 4763 1 49 . 1 1 53 53 SER N N 15 11.636 0.290 . . . . . . . 4763 1 50 . 1 1 54 54 ASP N N 15 11.203 0.379 . . . . . . . 4763 1 51 . 1 1 59 59 GLY N N 15 10.178 0.308 . . . . . . . 4763 1 52 . 1 1 62 62 GLY N N 15 17.050 5.000 . . . . . . . 4763 1 53 . 1 1 63 63 LEU N N 15 13.729 1.439 . . . . . . . 4763 1 54 . 1 1 64 64 ALA N N 15 20.311 1.215 . . . . . . . 4763 1 55 . 1 1 65 65 LEU N N 15 19.204 1.774 . . . . . . . 4763 1 56 . 1 1 66 66 LEU N N 15 12.636 0.219 . . . . . . . 4763 1 57 . 1 1 68 68 GLN N N 15 15.542 0.912 . . . . . . . 4763 1 58 . 1 1 69 69 ILE N N 15 15.522 0.498 . . . . . . . 4763 1 59 . 1 1 70 70 LYS N N 15 14.952 0.597 . . . . . . . 4763 1 60 . 1 1 71 71 GLN N N 15 15.197 0.359 . . . . . . . 4763 1 61 . 1 1 72 72 ARG N N 15 11.895 0.158 . . . . . . . 4763 1 62 . 1 1 73 73 HIS N N 15 10.567 0.466 . . . . . . . 4763 1 63 . 1 1 76 76 LEU N N 15 9.534 0.213 . . . . . . . 4763 1 64 . 1 1 78 78 VAL N N 15 16.219 0.570 . . . . . . . 4763 1 65 . 1 1 79 79 ILE N N 15 11.323 0.375 . . . . . . . 4763 1 66 . 1 1 81 81 MET N N 15 15.410 0.768 . . . . . . . 4763 1 67 . 1 1 82 82 THR N N 15 18.002 0.507 . . . . . . . 4763 1 68 . 1 1 83 83 ALA N N 15 13.572 0.515 . . . . . . . 4763 1 69 . 1 1 87 87 LEU N N 15 12.070 0.442 . . . . . . . 4763 1 70 . 1 1 88 88 ASP N N 15 19.167 0.379 . . . . . . . 4763 1 71 . 1 1 89 89 THR N N 15 20.088 0.442 . . . . . . . 4763 1 72 . 1 1 90 90 ALA N N 15 9.205 0.134 . . . . . . . 4763 1 73 . 1 1 91 91 VAL N N 15 11.449 0.344 . . . . . . . 4763 1 74 . 1 1 92 92 SER N N 15 20.349 0.441 . . . . . . . 4763 1 75 . 1 1 93 93 ALA N N 15 15.119 0.758 . . . . . . . 4763 1 76 . 1 1 95 95 GLN N N 15 17.446 1.389 . . . . . . . 4763 1 77 . 1 1 99 99 PHE N N 15 15.448 1.319 . . . . . . . 4763 1 78 . 1 1 100 100 ASP N N 15 11.761 0.328 . . . . . . . 4763 1 79 . 1 1 102 102 LEU N N 15 24.802 2.357 . . . . . . . 4763 1 80 . 1 1 106 106 PHE N N 15 11.098 0.257 . . . . . . . 4763 1 81 . 1 1 107 107 ASP N N 15 9.226 0.164 . . . . . . . 4763 1 82 . 1 1 108 108 ILE N N 15 10.806 0.333 . . . . . . . 4763 1 83 . 1 1 109 109 ASP N N 15 14.207 2.406 . . . . . . . 4763 1 84 . 1 1 110 110 GLU N N 15 9.889 0.327 . . . . . . . 4763 1 85 . 1 1 111 111 ALA N N 15 10.356 0.294 . . . . . . . 4763 1 86 . 1 1 112 112 VAL N N 15 11.476 0.545 . . . . . . . 4763 1 87 . 1 1 113 113 ALA N N 15 10.434 0.376 . . . . . . . 4763 1 88 . 1 1 114 114 LEU N N 15 12.376 0.715 . . . . . . . 4763 1 89 . 1 1 115 115 VAL N N 15 12.920 0.809 . . . . . . . 4763 1 90 . 1 1 116 116 GLU N N 15 11.627 0.585 . . . . . . . 4763 1 91 . 1 1 118 118 ALA N N 15 11.040 0.461 . . . . . . . 4763 1 92 . 1 1 119 119 ILE N N 15 10.026 0.616 . . . . . . . 4763 1 93 . 1 1 120 120 SER N N 15 11.399 0.093 . . . . . . . 4763 1 94 . 1 1 121 121 HIS N N 15 11.261 0.097 . . . . . . . 4763 1 95 . 1 1 122 122 TYR N N 15 10.073 0.451 . . . . . . . 4763 1 96 . 1 1 123 123 GLN N N 15 6.453 0.358 . . . . . . . 4763 1 97 . 1 1 124 124 GLU N N 15 2.586 0.127 . . . . . . . 4763 1 stop_ save_ save_T2_relaxation_600 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_relaxation_600 _Heteronucl_T2_list.Entry_ID 4763 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_cond_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 4763 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ARG N N 15 4.835 0.261 . . . . . . . 4763 2 2 . 1 1 4 4 GLY N N 15 4.053 0.226 . . . . . . . 4763 2 3 . 1 1 5 5 ILE N N 15 7.964 0.802 . . . . . . . 4763 2 4 . 1 1 6 6 VAL N N 15 8.110 0.532 . . . . . . . 4763 2 5 . 1 1 7 7 TRP N N 15 7.545 0.495 . . . . . . . 4763 2 6 . 1 1 8 8 VAL N N 15 7.911 0.526 . . . . . . . 4763 2 7 . 1 1 9 9 VAL N N 15 8.110 0.532 . . . . . . . 4763 2 8 . 1 1 10 10 ASP N N 15 9.100 1.836 . . . . . . . 4763 2 9 . 1 1 11 11 ASP N N 15 9.517 0.954 . . . . . . . 4763 2 10 . 1 1 12 12 ASP N N 15 9.465 0.512 . . . . . . . 4763 2 11 . 1 1 13 13 SER N N 15 10.050 1.100 . . . . . . . 4763 2 12 . 1 1 14 14 SER N N 15 10.280 0.350 . . . . . . . 4763 2 13 . 1 1 15 15 ILE N N 15 8.227 0.691 . . . . . . . 4763 2 14 . 1 1 16 16 ARG N N 15 11.769 0.549 . . . . . . . 4763 2 15 . 1 1 17 17 TRP N N 15 8.149 0.843 . . . . . . . 4763 2 16 . 1 1 18 18 VAL N N 15 9.184 0.669 . . . . . . . 4763 2 17 . 1 1 20 20 GLU N N 15 8.768 0.504 . . . . . . . 4763 2 18 . 1 1 21 21 ARG N N 15 9.161 0.542 . . . . . . . 4763 2 19 . 1 1 22 22 ALA N N 15 10.172 0.401 . . . . . . . 4763 2 20 . 1 1 23 23 LEU N N 15 8.250 0.827 . . . . . . . 4763 2 21 . 1 1 24 24 ALA N N 15 9.367 0.284 . . . . . . . 4763 2 22 . 1 1 25 25 GLY N N 15 8.739 0.367 . . . . . . . 4763 2 23 . 1 1 26 26 ALA N N 15 9.222 0.268 . . . . . . . 4763 2 24 . 1 1 27 27 GLY N N 15 6.706 0.861 . . . . . . . 4763 2 25 . 1 1 28 28 LEU N N 15 8.019 0.601 . . . . . . . 4763 2 26 . 1 1 29 29 THR N N 15 7.578 0.955 . . . . . . . 4763 2 27 . 1 1 30 30 CYS N N 15 8.365 0.349 . . . . . . . 4763 2 28 . 1 1 31 31 THR N N 15 8.103 0.448 . . . . . . . 4763 2 29 . 1 1 32 32 THR N N 15 8.793 0.300 . . . . . . . 4763 2 30 . 1 1 33 33 PHE N N 15 9.310 0.493 . . . . . . . 4763 2 31 . 1 1 34 34 GLU N N 15 7.556 0.586 . . . . . . . 4763 2 32 . 1 1 35 35 ASN N N 15 8.882 0.592 . . . . . . . 4763 2 33 . 1 1 36 36 GLY N N 15 9.360 1.860 . . . . . . . 4763 2 34 . 1 1 37 37 ASN N N 15 10.580 0.110 . . . . . . . 4763 2 35 . 1 1 38 38 GLU N N 15 8.310 1.050 . . . . . . . 4763 2 36 . 1 1 39 39 VAL N N 15 9.379 0.528 . . . . . . . 4763 2 37 . 1 1 40 40 LEU N N 15 9.040 0.930 . . . . . . . 4763 2 38 . 1 1 41 41 ALA N N 15 8.619 0.573 . . . . . . . 4763 2 39 . 1 1 42 42 ALA N N 15 8.692 0.498 . . . . . . . 4763 2 40 . 1 1 43 43 LEU N N 15 8.609 0.542 . . . . . . . 4763 2 41 . 1 1 44 44 ALA N N 15 9.143 0.431 . . . . . . . 4763 2 42 . 1 1 45 45 SER N N 15 7.340 0.750 . . . . . . . 4763 2 43 . 1 1 46 46 LYS N N 15 7.380 0.900 . . . . . . . 4763 2 44 . 1 1 47 47 THR N N 15 7.530 0.681 . . . . . . . 4763 2 45 . 1 1 49 49 ASP N N 15 8.013 0.601 . . . . . . . 4763 2 46 . 1 1 50 50 VAL N N 15 8.036 0.975 . . . . . . . 4763 2 47 . 1 1 51 51 LEU N N 15 8.399 0.485 . . . . . . . 4763 2 48 . 1 1 52 52 LEU N N 15 8.844 0.559 . . . . . . . 4763 2 49 . 1 1 53 53 SER N N 15 8.303 0.733 . . . . . . . 4763 2 50 . 1 1 54 54 ASP N N 15 8.160 0.628 . . . . . . . 4763 2 51 . 1 1 59 59 GLY N N 15 7.842 0.965 . . . . . . . 4763 2 52 . 1 1 62 62 GLY N N 15 21.500 5.000 . . . . . . . 4763 2 53 . 1 1 63 63 LEU N N 15 10.384 0.209 . . . . . . . 4763 2 54 . 1 1 64 64 ALA N N 15 13.070 1.090 . . . . . . . 4763 2 55 . 1 1 65 65 LEU N N 15 14.493 0.638 . . . . . . . 4763 2 56 . 1 1 66 66 LEU N N 15 10.860 0.690 . . . . . . . 4763 2 57 . 1 1 68 68 GLN N N 15 11.587 0.908 . . . . . . . 4763 2 58 . 1 1 69 69 ILE N N 15 11.330 0.540 . . . . . . . 4763 2 59 . 1 1 70 70 LYS N N 15 10.070 1.180 . . . . . . . 4763 2 60 . 1 1 71 71 GLN N N 15 10.588 0.427 . . . . . . . 4763 2 61 . 1 1 72 72 ARG N N 15 8.500 1.130 . . . . . . . 4763 2 62 . 1 1 73 73 HIS N N 15 8.040 0.505 . . . . . . . 4763 2 63 . 1 1 76 76 LEU N N 15 7.884 0.504 . . . . . . . 4763 2 64 . 1 1 78 78 VAL N N 15 12.060 0.670 . . . . . . . 4763 2 65 . 1 1 79 79 ILE N N 15 8.436 0.215 . . . . . . . 4763 2 66 . 1 1 81 81 MET N N 15 10.729 0.444 . . . . . . . 4763 2 67 . 1 1 82 82 THR N N 15 12.828 0.659 . . . . . . . 4763 2 68 . 1 1 83 83 ALA N N 15 9.021 0.329 . . . . . . . 4763 2 69 . 1 1 87 87 LEU N N 15 9.059 0.474 . . . . . . . 4763 2 70 . 1 1 88 88 ASP N N 15 12.130 0.820 . . . . . . . 4763 2 71 . 1 1 89 89 THR N N 15 12.901 0.513 . . . . . . . 4763 2 72 . 1 1 90 90 ALA N N 15 7.601 0.566 . . . . . . . 4763 2 73 . 1 1 91 91 VAL N N 15 8.068 0.420 . . . . . . . 4763 2 74 . 1 1 92 92 SER N N 15 12.560 0.880 . . . . . . . 4763 2 75 . 1 1 93 93 ALA N N 15 10.290 1.041 . . . . . . . 4763 2 76 . 1 1 95 95 GLN N N 15 9.241 1.394 . . . . . . . 4763 2 77 . 1 1 99 99 PHE N N 15 9.900 0.350 . . . . . . . 4763 2 78 . 1 1 100 100 ASP N N 15 8.474 0.265 . . . . . . . 4763 2 79 . 1 1 102 102 LEU N N 15 16.344 0.647 . . . . . . . 4763 2 80 . 1 1 106 106 PHE N N 15 8.272 0.495 . . . . . . . 4763 2 81 . 1 1 107 107 ASP N N 15 7.315 0.581 . . . . . . . 4763 2 82 . 1 1 108 108 ILE N N 15 7.803 0.498 . . . . . . . 4763 2 83 . 1 1 109 109 ASP N N 15 6.213 0.773 . . . . . . . 4763 2 84 . 1 1 110 110 GLU N N 15 8.045 0.261 . . . . . . . 4763 2 85 . 1 1 111 111 ALA N N 15 9.277 0.654 . . . . . . . 4763 2 86 . 1 1 112 112 VAL N N 15 8.886 0.311 . . . . . . . 4763 2 87 . 1 1 113 113 ALA N N 15 8.637 0.580 . . . . . . . 4763 2 88 . 1 1 114 114 LEU N N 15 9.701 0.525 . . . . . . . 4763 2 89 . 1 1 115 115 VAL N N 15 10.356 0.356 . . . . . . . 4763 2 90 . 1 1 116 116 GLU N N 15 9.029 0.634 . . . . . . . 4763 2 91 . 1 1 118 118 ALA N N 15 8.578 0.364 . . . . . . . 4763 2 92 . 1 1 119 119 ILE N N 15 8.454 0.297 . . . . . . . 4763 2 93 . 1 1 120 120 SER N N 15 8.803 0.277 . . . . . . . 4763 2 94 . 1 1 121 121 HIS N N 15 7.649 1.209 . . . . . . . 4763 2 95 . 1 1 122 122 TYR N N 15 6.669 0.438 . . . . . . . 4763 2 96 . 1 1 123 123 GLN N N 15 3.846 1.080 . . . . . . . 4763 2 97 . 1 1 124 124 GLU N N 15 1.212 0.949 . . . . . . . 4763 2 stop_ save_