data_6187 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6187 _Entry.Title ; BACKBONE SOLUTION STRUCTURE OF MIXED ALPHA/BETA PROTEIN PF1061 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-04-22 _Entry.Accession_date 2004-04-22 _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 J. Prestegard . H. . 6187 2 K. Mayer . L. . 6187 3 H. Valafar . . . 6187 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6187 coupling_constants 1 6187 RDCs 6 6187 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 140 6187 '13C chemical shifts' 68 6187 '15N chemical shifts' 68 6187 'coupling constants' 59 6187 'residual dipolar couplings' 394 6187 'homonuclear NOE values' 89 6187 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-10-12 2004-04-22 update BMRB 'NMR-STAR v3.1' 6187 1 . . 2004-06-25 2004-04-22 original author . 6187 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6187 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15704012 _Citation.Full_citation . _Citation.Title 'Backbone Solution Structures of Proteins Using Residual Dipolar Couplings: Application to a Novel Structural Genomics Target' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Funct. Genomics' _Citation.Journal_name_full 'Journal of Structural and Functional Genomics' _Citation.Journal_volume 5 _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 241 _Citation.Page_last 254 _Citation.Year 2004 _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 H. Valafar . . . 6187 1 2 K. Mayer . L. . 6187 1 3 C. Bougault . M. . 6187 1 4 P. LeBlond . D. . 6187 1 5 F. Jenney . E. Jr. 6187 1 6 P. Brereton . S. . 6187 1 7 M. Adams . W.W. . 6187 1 8 J. Prestegard . H. . 6187 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 6187 1 'RESIDUAL DIPOLAR COUPLINGS' 6187 1 'STRUCTURAL GENOMICS' 6187 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PF1061 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PF1061 _Assembly.Entry_ID 6187 _Assembly.ID 1 _Assembly.Name 'hypothetical protein PF1061' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'not present' _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 6187 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'hypothetical protein PF1061' 1 $PF1061 . . . native no no . . . 6187 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1SF0 . . . . . . 6187 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'hypothetical protein PF1061' system 6187 1 'hypothetical protein PF1061' abbreviation 6187 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PF1061 _Entity.Sf_category entity _Entity.Sf_framecode PF1061 _Entity.Entry_ID 6187 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'hypothetical protein PF1061' _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 ; AHHHHHHGSKMIKVKVIGRN IEKEIEWREGMKVRDILRAV GFNTESAIAKVNGKVVLEDD EVKDGDFVEVIPVVSGG ; _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1RWS . "Backbone Solution Structure Of Mixed AlphaBETA PROTEIN PF1061" . . . . . 100.00 77 100.00 100.00 5.58e-45 . . . . 6187 1 2 no PDB 1SF0 . "Backbone Solution Structure Of Mixed AlphaBETA PROTEIN PF1061" . . . . . 100.00 77 100.00 100.00 5.58e-45 . . . . 6187 1 3 no GB AAL81185 . "hypothetical protein PF1061 [Pyrococcus furiosus DSM 3638]" . . . . . 88.31 69 100.00 100.00 1.62e-37 . . . . 6187 1 4 no GB AFN03857 . "sulfur carrier protein ThiS [Pyrococcus furiosus COM1]" . . . . . 87.01 67 100.00 100.00 7.68e-37 . . . . 6187 1 5 no REF NP_578790 . "sulfur carrier protein ThiS [Pyrococcus furiosus DSM 3638]" . . . . . 90.91 71 98.57 98.57 3.53e-38 . . . . 6187 1 6 no REF WP_011012198 . "sulfur carrier protein ThiS [Pyrococcus furiosus]" . . . . . 90.91 71 98.57 98.57 3.53e-38 . . . . 6187 1 7 no REF WP_014835316 . "sulfur carrier protein ThiS [Pyrococcus furiosus]" . . . . . 87.01 67 100.00 100.00 7.68e-37 . . . . 6187 1 8 no REF YP_006492149 . "sulfur carrier protein ThiS [Pyrococcus furiosus COM1]" . . . . . 87.01 67 100.00 100.00 7.68e-37 . . . . 6187 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'hypothetical protein PF1061' common 6187 1 'hypothetical protein PF1061' abbreviation 6187 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 -8 ALA . 6187 1 2 -7 HIS . 6187 1 3 -6 HIS . 6187 1 4 -5 HIS . 6187 1 5 -4 HIS . 6187 1 6 -3 HIS . 6187 1 7 -2 HIS . 6187 1 8 -1 GLY . 6187 1 9 1 SER . 6187 1 10 2 LYS . 6187 1 11 3 MET . 6187 1 12 4 ILE . 6187 1 13 5 LYS . 6187 1 14 6 VAL . 6187 1 15 7 LYS . 6187 1 16 8 VAL . 6187 1 17 9 ILE . 6187 1 18 10 GLY . 6187 1 19 11 ARG . 6187 1 20 12 ASN . 6187 1 21 13 ILE . 6187 1 22 14 GLU . 6187 1 23 15 LYS . 6187 1 24 16 GLU . 6187 1 25 17 ILE . 6187 1 26 18 GLU . 6187 1 27 19 TRP . 6187 1 28 20 ARG . 6187 1 29 21 GLU . 6187 1 30 22 GLY . 6187 1 31 23 MET . 6187 1 32 24 LYS . 6187 1 33 25 VAL . 6187 1 34 26 ARG . 6187 1 35 27 ASP . 6187 1 36 28 ILE . 6187 1 37 29 LEU . 6187 1 38 30 ARG . 6187 1 39 31 ALA . 6187 1 40 32 VAL . 6187 1 41 33 GLY . 6187 1 42 34 PHE . 6187 1 43 35 ASN . 6187 1 44 36 THR . 6187 1 45 37 GLU . 6187 1 46 38 SER . 6187 1 47 39 ALA . 6187 1 48 40 ILE . 6187 1 49 41 ALA . 6187 1 50 42 LYS . 6187 1 51 43 VAL . 6187 1 52 44 ASN . 6187 1 53 45 GLY . 6187 1 54 46 LYS . 6187 1 55 47 VAL . 6187 1 56 48 VAL . 6187 1 57 49 LEU . 6187 1 58 50 GLU . 6187 1 59 51 ASP . 6187 1 60 52 ASP . 6187 1 61 53 GLU . 6187 1 62 54 VAL . 6187 1 63 55 LYS . 6187 1 64 56 ASP . 6187 1 65 57 GLY . 6187 1 66 58 ASP . 6187 1 67 59 PHE . 6187 1 68 60 VAL . 6187 1 69 61 GLU . 6187 1 70 62 VAL . 6187 1 71 63 ILE . 6187 1 72 64 PRO . 6187 1 73 65 VAL . 6187 1 74 66 VAL . 6187 1 75 67 SER . 6187 1 76 68 GLY . 6187 1 77 69 GLY . 6187 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 . ALA 1 1 6187 1 . HIS 2 2 6187 1 . HIS 3 3 6187 1 . HIS 4 4 6187 1 . HIS 5 5 6187 1 . HIS 6 6 6187 1 . HIS 7 7 6187 1 . GLY 8 8 6187 1 . SER 9 9 6187 1 . LYS 10 10 6187 1 . MET 11 11 6187 1 . ILE 12 12 6187 1 . LYS 13 13 6187 1 . VAL 14 14 6187 1 . LYS 15 15 6187 1 . VAL 16 16 6187 1 . ILE 17 17 6187 1 . GLY 18 18 6187 1 . ARG 19 19 6187 1 . ASN 20 20 6187 1 . ILE 21 21 6187 1 . GLU 22 22 6187 1 . LYS 23 23 6187 1 . GLU 24 24 6187 1 . ILE 25 25 6187 1 . GLU 26 26 6187 1 . TRP 27 27 6187 1 . ARG 28 28 6187 1 . GLU 29 29 6187 1 . GLY 30 30 6187 1 . MET 31 31 6187 1 . LYS 32 32 6187 1 . VAL 33 33 6187 1 . ARG 34 34 6187 1 . ASP 35 35 6187 1 . ILE 36 36 6187 1 . LEU 37 37 6187 1 . ARG 38 38 6187 1 . ALA 39 39 6187 1 . VAL 40 40 6187 1 . GLY 41 41 6187 1 . PHE 42 42 6187 1 . ASN 43 43 6187 1 . THR 44 44 6187 1 . GLU 45 45 6187 1 . SER 46 46 6187 1 . ALA 47 47 6187 1 . ILE 48 48 6187 1 . ALA 49 49 6187 1 . LYS 50 50 6187 1 . VAL 51 51 6187 1 . ASN 52 52 6187 1 . GLY 53 53 6187 1 . LYS 54 54 6187 1 . VAL 55 55 6187 1 . VAL 56 56 6187 1 . LEU 57 57 6187 1 . GLU 58 58 6187 1 . ASP 59 59 6187 1 . ASP 60 60 6187 1 . GLU 61 61 6187 1 . VAL 62 62 6187 1 . LYS 63 63 6187 1 . ASP 64 64 6187 1 . GLY 65 65 6187 1 . ASP 66 66 6187 1 . PHE 67 67 6187 1 . VAL 68 68 6187 1 . GLU 69 69 6187 1 . VAL 70 70 6187 1 . ILE 71 71 6187 1 . PRO 72 72 6187 1 . VAL 73 73 6187 1 . VAL 74 74 6187 1 . SER 75 75 6187 1 . GLY 76 76 6187 1 . GLY 77 77 6187 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 6187 _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 $PF1061 . 2261 . . 'Pyrococcus furiosus' 'Pyrococcus furiosus' . . Archaea . Pyrococcus furiosus . . . . . . . . . . . . . . . . . . . . . 6187 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 6187 _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 $PF1061 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21DE3STAR PRIL' . . . . . . . . . . . . plasmid . . 'PET24D BAM' . . . . . . 6187 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6187 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'hypothetical protein PF1061' '[U-15N; 16%-13C]' . . 1 $PF1061 . . 1 . . mM . . . . 6187 1 2 'PHOSPHATE BUFFER' . . . . . . . 50 . . mM . . . . 6187 1 3 KCL . . . . . . . 200 . . mM . . . . 6187 1 4 H2O . . . . . . . 90 . . % . . . . 6187 1 5 D2O . . . . . . . 10 . . % . . . . 6187 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6187 _Sample.ID 2 _Sample.Type bicelles _Sample.Sub_type . _Sample.Details 'the C12E5 conentration is 4%' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'hypothetical protein PF1061' '[U-15N; 16%-13C]' . . 1 $PF1061 . . 0.5 . . mM . . . . 6187 2 2 'PHOSPHATE BUFFER' . . . . . . . 50 . . mM . . . . 6187 2 3 'C12E5:HEXANOL 0.98:1' . . . . . . . . . . . . . . . 6187 2 4 KCL . . . . . . . 100 . . mM . . . . 6187 2 5 H2O . . . . . . . 90 . . % . . . . 6187 2 6 D2O . . . . . . . 10 . . % . . . . 6187 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6187 _Sample.ID 3 _Sample.Type bicelles _Sample.Sub_type . _Sample.Details 'the C12E5 conentration is 4%' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'hypothetical protein PF1061' '[U-15N; 16%-13C]' . . 1 $PF1061 . . 0.5 . . mM . . . . 6187 3 2 'PHOSPHATE BUFFER' . . . . . . . 50 . . mM . . . . 6187 3 3 'PEG:CTAB 27:1' . . . . . . . . . . . . . . . 6187 3 4 'C12E5:HEXANOL 0.87:1' . . . . . . . . . . . . . . . 6187 3 5 KCL . . . . . . . 100 . . mM . . . . 6187 3 6 H2O . . . . . . . 90 . . % . . . . 6187 3 7 D2O . . . . . . . 10 . . % . . . . 6187 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6187 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'hypothetical protein PF1061' [U-15N] . . 1 $PF1061 . . 1 . . mM . . . . 6187 4 2 'PHOSPHATE BUFFER' . . . . . . . 50 . . mM . . . . 6187 4 3 KCL . . . . . . . 200 . . mM . . . . 6187 4 4 H2O . . . . . . . 90 . . % . . . . 6187 4 5 D2O . . . . . . . 10 . . % . . . . 6187 4 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 6187 _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 5.5 . pH 6187 1 temperature 298 . K 6187 1 'ionic strength' 200 . mM 6187 1 pressure 1 . atm 6187 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 6187 _Sample_condition_list.ID 2 _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 . pH 6187 2 temperature 300 . K 6187 2 'ionic strength' 100 . mM 6187 2 pressure 1 . atm 6187 2 stop_ save_ save_sample_cond_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_3 _Sample_condition_list.Entry_ID 6187 _Sample_condition_list.ID 3 _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 . pH 6187 3 temperature 293 . K 6187 3 'ionic strength' 100 . mM 6187 3 pressure 1 . atm 6187 3 stop_ save_ ############################ # Computer software used # ############################ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 6187 _Software.ID 1 _Software.Name XPLOR-NIH _Software.Version 2.9.1 _Software.Details 'SCHWIETERS, KUSZEWSKI, Tjandra, Clore' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6187 1 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 6187 _Software.ID 2 _Software.Name NMRPIPE _Software.Version 5.0.4 _Software.Details 'Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6187 2 stop_ save_ save_REDCRAFT _Software.Sf_category software _Software.Sf_framecode REDCRAFT _Software.Entry_ID 6187 _Software.ID 3 _Software.Name REDCRAFT _Software.Version 1.0 _Software.Details 'Homayoun Valafar, James Prestegard' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6187 3 stop_ save_ save_REDCAT _Software.Sf_category software _Software.Sf_framecode REDCAT _Software.Entry_ID 6187 _Software.ID 4 _Software.Name REDCAT _Software.Version 1.0 _Software.Details 'Homayoun Valafar, James Prestegard' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6187 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6187 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6187 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer VARIAN INOVA . 600 . . . 6187 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 6187 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-SEPARATED NOESY' . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6187 1 2 '3D 15N-SEPARATED TOCSY' . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6187 1 3 'SOFT HNCA-E.COSY' . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6187 1 4 'MODIFIED HNCO' . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6187 1 5 '15N COUPLED HSQC' . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6187 1 6 'SOFT HNCA-E.COSY' . . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_cond_2 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6187 1 7 'MODIFIED HNCO' . . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_cond_2 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6187 1 8 '15N COUPLED HSQC' . . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_cond_2 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6187 1 9 '15N COUPLED HSQC' . . . . . . . . . . . 3 $sample_3 anisotropic . . 3 $sample_cond_3 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6187 1 10 'SOFT HNCA-E.COSY' . . . . . . . . . . . 3 $sample_3 anisotropic . . 3 $sample_cond_3 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6187 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 6187 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 . direct 1.0 . . . . . . . . . 6187 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 6187 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 6187 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6187 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-SEPARATED NOESY' 4 $sample_4 . 6187 1 2 '3D 15N-SEPARATED TOCSY' 4 $sample_4 . 6187 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 9 9 SER H H 1 8.29 0.05 . 1 . . . . 1 . . . 6187 1 2 . 1 1 9 9 SER HA H 1 4.564 0.05 . 1 . . . . 1 . . . 6187 1 3 . 1 1 9 9 SER CA C 13 58.57 0.05 . 1 . . . . 1 . . . 6187 1 4 . 1 1 9 9 SER N N 15 116.14 0.1 . 1 . . . . 1 . . . 6187 1 5 . 1 1 10 10 LYS H H 1 9.07 0.05 . 1 . . . . 2 . . . 6187 1 6 . 1 1 10 10 LYS HA H 1 4.363 0.05 . 1 . . . . 2 . . . 6187 1 7 . 1 1 10 10 LYS CA C 13 57.02 0.05 . 1 . . . . 2 . . . 6187 1 8 . 1 1 10 10 LYS N N 15 124.15 0.1 . 1 . . . . 2 . . . 6187 1 9 . 1 1 11 11 MET H H 1 8.48 0.05 . 1 . . . . 3 . . . 6187 1 10 . 1 1 11 11 MET HA H 1 5.178 0.05 . 1 . . . . 3 . . . 6187 1 11 . 1 1 11 11 MET CA C 13 54.86 0.05 . 1 . . . . 3 . . . 6187 1 12 . 1 1 11 11 MET N N 15 119.32 0.1 . 1 . . . . 3 . . . 6187 1 13 . 1 1 12 12 ILE H H 1 9.16 0.05 . 1 . . . . 4 . . . 6187 1 14 . 1 1 12 12 ILE HA H 1 4.581 0.05 . 1 . . . . 4 . . . 6187 1 15 . 1 1 12 12 ILE CA C 13 59.79 0.05 . 1 . . . . 4 . . . 6187 1 16 . 1 1 12 12 ILE N N 15 120.88 0.1 . 1 . . . . 4 . . . 6187 1 17 . 1 1 13 13 LYS H H 1 8.17 0.05 . 1 . . . . 5 . . . 6187 1 18 . 1 1 13 13 LYS HA H 1 4.907 0.05 . 1 . . . . 5 . . . 6187 1 19 . 1 1 13 13 LYS CA C 13 55.74 0.05 . 1 . . . . 5 . . . 6187 1 20 . 1 1 13 13 LYS N N 15 126.12 0.1 . 1 . . . . 5 . . . 6187 1 21 . 1 1 14 14 VAL H H 1 8.93 0.05 . 1 . . . . 6 . . . 6187 1 22 . 1 1 14 14 VAL HA H 1 5.284 0.05 . 1 . . . . 6 . . . 6187 1 23 . 1 1 14 14 VAL CA C 13 59.43 0.05 . 1 . . . . 6 . . . 6187 1 24 . 1 1 14 14 VAL N N 15 123.39 0.1 . 1 . . . . 6 . . . 6187 1 25 . 1 1 15 15 LYS H H 1 8.62 0.05 . 1 . . . . 7 . . . 6187 1 26 . 1 1 15 15 LYS HA H 1 5.211 0.05 . 1 . . . . 7 . . . 6187 1 27 . 1 1 15 15 LYS CA C 13 54.68 0.05 . 1 . . . . 7 . . . 6187 1 28 . 1 1 15 15 LYS N N 15 127.39 0.1 . 1 . . . . 7 . . . 6187 1 29 . 1 1 16 16 VAL H H 1 8.58 0.05 . 1 . . . . 8 . . . 6187 1 30 . 1 1 16 16 VAL HA H 1 4.775 0.05 . 1 . . . . 8 . . . 6187 1 31 . 1 1 16 16 VAL CA C 13 60.82 0.05 . 1 . . . . 8 . . . 6187 1 32 . 1 1 16 16 VAL N N 15 125.33 0.1 . 1 . . . . 8 . . . 6187 1 33 . 1 1 17 17 ILE H H 1 8.86 0.05 . 1 . . . . 9 . . . 6187 1 34 . 1 1 17 17 ILE HA H 1 3.937 0.05 . 1 . . . . 9 . . . 6187 1 35 . 1 1 17 17 ILE CA C 13 61.4927 0.05 . 1 . . . . 9 . . . 6187 1 36 . 1 1 17 17 ILE N N 15 131.21 0.1 . 1 . . . . 9 . . . 6187 1 37 . 1 1 18 18 GLY H H 1 8.9 0.05 . 1 . . . . 10 . . . 6187 1 38 . 1 1 18 18 GLY CA C 13 45.44 0.05 . 1 . . . . 10 . . . 6187 1 39 . 1 1 18 18 GLY N N 15 115.12 0.1 . 1 . . . . 10 . . . 6187 1 40 . 1 1 18 18 GLY HA2 H 1 3.823 0.05 . 1 . . . . 10 . . . 6187 1 41 . 1 1 18 18 GLY HA3 H 1 4.364 0.05 . 1 . . . . 10 . . . 6187 1 42 . 1 1 19 19 ARG H H 1 7.52 0.05 . 1 . . . . 11 . . . 6187 1 43 . 1 1 19 19 ARG HA H 1 4.769 0.05 . 1 . . . . 11 . . . 6187 1 44 . 1 1 19 19 ARG CA C 13 53.77 0.05 . 1 . . . . 11 . . . 6187 1 45 . 1 1 19 19 ARG N N 15 116.43 0.1 . 1 . . . . 11 . . . 6187 1 46 . 1 1 20 20 ASN H H 1 8.61 0.05 . 1 . . . . 12 . . . 6187 1 47 . 1 1 20 20 ASN HA H 1 4.587 0.05 . 1 . . . . 12 . . . 6187 1 48 . 1 1 20 20 ASN CA C 13 53.89 0.05 . 1 . . . . 12 . . . 6187 1 49 . 1 1 20 20 ASN N N 15 117.49 0.1 . 1 . . . . 12 . . . 6187 1 50 . 1 1 21 21 ILE H H 1 6.96 0.05 . 1 . . . . 13 . . . 6187 1 51 . 1 1 21 21 ILE HA H 1 4.41 0.05 . 1 . . . . 13 . . . 6187 1 52 . 1 1 21 21 ILE CA C 13 60.48 0.05 . 1 . . . . 13 . . . 6187 1 53 . 1 1 21 21 ILE N N 15 116.56 0.1 . 1 . . . . 13 . . . 6187 1 54 . 1 1 22 22 GLU H H 1 8.49 0.05 . 1 . . . . 14 . . . 6187 1 55 . 1 1 22 22 GLU HA H 1 5.314 0.05 . 1 . . . . 14 . . . 6187 1 56 . 1 1 22 22 GLU CA C 13 55.54 0.05 . 1 . . . . 14 . . . 6187 1 57 . 1 1 22 22 GLU N N 15 128.23 0.1 . 1 . . . . 14 . . . 6187 1 58 . 1 1 23 23 LYS H H 1 9.05 0.05 . 1 . . . . 15 . . . 6187 1 59 . 1 1 23 23 LYS HA H 1 4.806 0.05 . 1 . . . . 15 . . . 6187 1 60 . 1 1 23 23 LYS CA C 13 54.747 0.05 . 1 . . . . 15 . . . 6187 1 61 . 1 1 23 23 LYS N N 15 123.17 0.1 . 1 . . . . 15 . . . 6187 1 62 . 1 1 24 24 GLU H H 1 8.39 0.05 . 1 . . . . 16 . . . 6187 1 63 . 1 1 24 24 GLU HA H 1 5.301 0.05 . 1 . . . . 16 . . . 6187 1 64 . 1 1 24 24 GLU CA C 13 55.07 0.05 . 1 . . . . 16 . . . 6187 1 65 . 1 1 24 24 GLU N N 15 121.07 0.1 . 1 . . . . 16 . . . 6187 1 66 . 1 1 25 25 ILE H H 1 9.06 0.05 . 1 . . . . 17 . . . 6187 1 67 . 1 1 25 25 ILE HA H 1 4.409 0.05 . 1 . . . . 17 . . . 6187 1 68 . 1 1 25 25 ILE CA C 13 59.148 0.05 . 1 . . . . 17 . . . 6187 1 69 . 1 1 25 25 ILE N N 15 123.35 0.1 . 1 . . . . 17 . . . 6187 1 70 . 1 1 26 26 GLU H H 1 8.59 0.05 . 1 . . . . 18 . . . 6187 1 71 . 1 1 26 26 GLU HA H 1 4.601 0.05 . 1 . . . . 18 . . . 6187 1 72 . 1 1 26 26 GLU CA C 13 57.4 0.05 . 1 . . . . 18 . . . 6187 1 73 . 1 1 26 26 GLU N N 15 126.7 0.1 . 1 . . . . 18 . . . 6187 1 74 . 1 1 27 27 TRP H H 1 8.59 0.05 . 1 . . . . 19 . . . 6187 1 75 . 1 1 27 27 TRP HA H 1 4.364 0.05 . 1 . . . . 19 . . . 6187 1 76 . 1 1 27 27 TRP CA C 13 58.42 0.05 . 1 . . . . 19 . . . 6187 1 77 . 1 1 27 27 TRP N N 15 126.29 0.1 . 1 . . . . 19 . . . 6187 1 78 . 1 1 28 28 ARG H H 1 5.99 0.05 . 1 . . . . 20 . . . 6187 1 79 . 1 1 28 28 ARG HA H 1 3.733 0.05 . 1 . . . . 20 . . . 6187 1 80 . 1 1 28 28 ARG CA C 13 53.78 0.05 . 1 . . . . 20 . . . 6187 1 81 . 1 1 28 28 ARG N N 15 123.86 0.1 . 1 . . . . 20 . . . 6187 1 82 . 1 1 29 29 GLU H H 1 7.7 0.05 . 1 . . . . 21 . . . 6187 1 83 . 1 1 29 29 GLU HA H 1 3.543 0.05 . 1 . . . . 21 . . . 6187 1 84 . 1 1 29 29 GLU CA C 13 57.92 0.05 . 1 . . . . 21 . . . 6187 1 85 . 1 1 29 29 GLU N N 15 120.1 0.1 . 1 . . . . 21 . . . 6187 1 86 . 1 1 30 30 GLY H H 1 8.82 0.05 . 1 . . . . 22 . . . 6187 1 87 . 1 1 30 30 GLY CA C 13 44.99 0.05 . 1 . . . . 22 . . . 6187 1 88 . 1 1 30 30 GLY N N 15 114.32 0.1 . 1 . . . . 22 . . . 6187 1 89 . 1 1 30 30 GLY HA3 H 1 4.16 0.05 . 1 . . . . 22 . . . 6187 1 90 . 1 1 30 30 GLY HA2 H 1 3.677 0.05 . 1 . . . . 22 . . . 6187 1 91 . 1 1 31 31 MET H H 1 7.53 0.05 . 1 . . . . 23 . . . 6187 1 92 . 1 1 31 31 MET HA H 1 4.036 0.05 . 1 . . . . 23 . . . 6187 1 93 . 1 1 31 31 MET CA C 13 58.02 0.05 . 1 . . . . 23 . . . 6187 1 94 . 1 1 31 31 MET N N 15 121.67 0.1 . 1 . . . . 23 . . . 6187 1 95 . 1 1 32 32 LYS H H 1 9.11 0.05 . 1 . . . . 24 . . . 6187 1 96 . 1 1 32 32 LYS HA H 1 5.343 0.05 . 1 . . . . 24 . . . 6187 1 97 . 1 1 32 32 LYS CA C 13 53.97 0.05 . 1 . . . . 24 . . . 6187 1 98 . 1 1 32 32 LYS N N 15 124.38 0.1 . 1 . . . . 24 . . . 6187 1 99 . 1 1 33 33 VAL H H 1 8.78 0.05 . 1 . . . . 25 . . . 6187 1 100 . 1 1 33 33 VAL HA H 1 3.27 0.05 . 1 . . . . 25 . . . 6187 1 101 . 1 1 33 33 VAL CA C 13 53.97 0.05 . 1 . . . . 25 . . . 6187 1 102 . 1 1 33 33 VAL N N 15 124.33 0.1 . 1 . . . . 25 . . . 6187 1 103 . 1 1 34 34 ARG H H 1 8.93 0.05 . 1 . . . . 26 . . . 6187 1 104 . 1 1 34 34 ARG CA C 13 67.98 0.05 . 1 . . . . 26 . . . 6187 1 105 . 1 1 34 34 ARG N N 15 116.47 0.1 . 1 . . . . 26 . . . 6187 1 106 . 1 1 35 35 ASP H H 1 7.47 0.05 . 1 . . . . 27 . . . 6187 1 107 . 1 1 35 35 ASP HA H 1 4.454 0.05 . 1 . . . . 27 . . . 6187 1 108 . 1 1 35 35 ASP CA C 13 57.46 0.05 . 1 . . . . 27 . . . 6187 1 109 . 1 1 35 35 ASP N N 15 118.6 0.1 . 1 . . . . 27 . . . 6187 1 110 . 1 1 36 36 ILE H H 1 7.51 0.05 . 1 . . . . 28 . . . 6187 1 111 . 1 1 36 36 ILE HA H 1 3.672 0.05 . 1 . . . . 28 . . . 6187 1 112 . 1 1 36 36 ILE CA C 13 62.8 0.05 . 1 . . . . 28 . . . 6187 1 113 . 1 1 36 36 ILE N N 15 121.75 0.1 . 1 . . . . 28 . . . 6187 1 114 . 1 1 37 37 LEU H H 1 8.05 0.05 . 1 . . . . 29 . . . 6187 1 115 . 1 1 37 37 LEU HA H 1 3.752 0.05 . 1 . . . . 29 . . . 6187 1 116 . 1 1 37 37 LEU CA C 13 58.46 0.05 . 1 . . . . 29 . . . 6187 1 117 . 1 1 37 37 LEU N N 15 116.92 0.1 . 1 . . . . 29 . . . 6187 1 118 . 1 1 38 38 ARG H H 1 7.63 0.05 . 1 . . . . 30 . . . 6187 1 119 . 1 1 38 38 ARG HA H 1 4.259 0.05 . 1 . . . . 30 . . . 6187 1 120 . 1 1 38 38 ARG CA C 13 59.07 0.05 . 1 . . . . 30 . . . 6187 1 121 . 1 1 38 38 ARG N N 15 117.4 0.1 . 1 . . . . 30 . . . 6187 1 122 . 1 1 39 39 ALA H H 1 7.63 0.05 . 1 . . . . 31 . . . 6187 1 123 . 1 1 39 39 ALA HA H 1 4.253 0.05 . 1 . . . . 31 . . . 6187 1 124 . 1 1 39 39 ALA CA C 13 54.77 0.05 . 1 . . . . 31 . . . 6187 1 125 . 1 1 39 39 ALA N N 15 121.75 0.1 . 1 . . . . 31 . . . 6187 1 126 . 1 1 40 40 VAL H H 1 7.36 0.05 . 1 . . . . 32 . . . 6187 1 127 . 1 1 40 40 VAL HA H 1 4.64 0.05 . 1 . . . . 32 . . . 6187 1 128 . 1 1 40 40 VAL CA C 13 60.33 0.05 . 1 . . . . 32 . . . 6187 1 129 . 1 1 40 40 VAL N N 15 106.13 0.1 . 1 . . . . 32 . . . 6187 1 130 . 1 1 41 41 GLY H H 1 7.58 0.05 . 1 . . . . 33 . . . 6187 1 131 . 1 1 41 41 GLY CA C 13 46.17 0.05 . 1 . . . . 33 . . . 6187 1 132 . 1 1 41 41 GLY N N 15 107.18 0.1 . 1 . . . . 33 . . . 6187 1 133 . 1 1 41 41 GLY HA3 H 1 3.952 0.05 . 1 . . . . 33 . . . 6187 1 134 . 1 1 41 41 GLY HA2 H 1 3.712 0.05 . 1 . . . . 33 . . . 6187 1 135 . 1 1 42 42 PHE H H 1 8.3 0.05 . 1 . . . . 34 . . . 6187 1 136 . 1 1 42 42 PHE HA H 1 4.711 0.05 . 1 . . . . 34 . . . 6187 1 137 . 1 1 42 42 PHE CA C 13 57.27 0.05 . 1 . . . . 34 . . . 6187 1 138 . 1 1 42 42 PHE N N 15 118.78 0.1 . 1 . . . . 34 . . . 6187 1 139 . 1 1 43 43 ASN H H 1 8.04 0.05 . 1 . . . . 35 . . . 6187 1 140 . 1 1 43 43 ASN HA H 1 4.73 0.05 . 1 . . . . 35 . . . 6187 1 141 . 1 1 43 43 ASN CA C 13 52.49 0.05 . 1 . . . . 35 . . . 6187 1 142 . 1 1 43 43 ASN N N 15 116.2 0.1 . 1 . . . . 35 . . . 6187 1 143 . 1 1 44 44 THR H H 1 8.32 0.05 . 1 . . . . 36 . . . 6187 1 144 . 1 1 44 44 THR HA H 1 4.294 0.05 . 1 . . . . 36 . . . 6187 1 145 . 1 1 44 44 THR CA C 13 64.17 0.05 . 1 . . . . 36 . . . 6187 1 146 . 1 1 44 44 THR N N 15 110 0.1 . 1 . . . . 36 . . . 6187 1 147 . 1 1 45 45 GLU H H 1 8.38 0.05 . 1 . . . . 37 . . . 6187 1 148 . 1 1 45 45 GLU HA H 1 4.443 0.05 . 1 . . . . 37 . . . 6187 1 149 . 1 1 45 45 GLU CA C 13 57.41 0.05 . 1 . . . . 37 . . . 6187 1 150 . 1 1 45 45 GLU N N 15 118.65 0.1 . 1 . . . . 37 . . . 6187 1 151 . 1 1 46 46 SER H H 1 8.01 0.05 . 1 . . . . 38 . . . 6187 1 152 . 1 1 46 46 SER HA H 1 4.702 0.05 . 1 . . . . 38 . . . 6187 1 153 . 1 1 46 46 SER CA C 13 57.82 0.05 . 1 . . . . 38 . . . 6187 1 154 . 1 1 46 46 SER N N 15 113.01 0.1 . 1 . . . . 38 . . . 6187 1 155 . 1 1 47 47 ALA H H 1 8 0.05 . 1 . . . . 39 . . . 6187 1 156 . 1 1 47 47 ALA HA H 1 4.891 0.05 . 1 . . . . 39 . . . 6187 1 157 . 1 1 47 47 ALA CA C 13 52.14 0.05 . 1 . . . . 39 . . . 6187 1 158 . 1 1 47 47 ALA N N 15 124.85 0.1 . 1 . . . . 39 . . . 6187 1 159 . 1 1 48 48 ILE H H 1 8.2 0.05 . 1 . . . . 40 . . . 6187 1 160 . 1 1 48 48 ILE HA H 1 4.254 0.05 . 1 . . . . 40 . . . 6187 1 161 . 1 1 48 48 ILE CA C 13 60.02 0.05 . 1 . . . . 40 . . . 6187 1 162 . 1 1 48 48 ILE N N 15 117.4 0.1 . 1 . . . . 40 . . . 6187 1 163 . 1 1 49 49 ALA H H 1 8.9 0.05 . 1 . . . . 41 . . . 6187 1 164 . 1 1 49 49 ALA HA H 1 5.416 0.05 . 1 . . . . 41 . . . 6187 1 165 . 1 1 49 49 ALA CA C 13 49.92 0.05 . 1 . . . . 41 . . . 6187 1 166 . 1 1 49 49 ALA N N 15 125.88 0.1 . 1 . . . . 41 . . . 6187 1 167 . 1 1 50 50 LYS H H 1 8.85 0.05 . 1 . . . . 42 . . . 6187 1 168 . 1 1 50 50 LYS HA H 1 5.18 0.05 . 1 . . . . 42 . . . 6187 1 169 . 1 1 50 50 LYS CA C 13 54.37 0.05 . 1 . . . . 42 . . . 6187 1 170 . 1 1 50 50 LYS N N 15 117.75 0.1 . 1 . . . . 42 . . . 6187 1 171 . 1 1 51 51 VAL H H 1 8.8 0.05 . 1 . . . . 43 . . . 6187 1 172 . 1 1 51 51 VAL HA H 1 4.673 0.05 . 1 . . . . 43 . . . 6187 1 173 . 1 1 51 51 VAL CA C 13 61.4 0.05 . 1 . . . . 43 . . . 6187 1 174 . 1 1 51 51 VAL N N 15 121.05 0.1 . 1 . . . . 43 . . . 6187 1 175 . 1 1 52 52 ASN H H 1 9.94 0.05 . 1 . . . . 44 . . . 6187 1 176 . 1 1 52 52 ASN HA H 1 4.579 0.05 . 1 . . . . 44 . . . 6187 1 177 . 1 1 52 52 ASN CA C 13 54.34 0.05 . 1 . . . . 44 . . . 6187 1 178 . 1 1 52 52 ASN N N 15 128.77 0.1 . 1 . . . . 44 . . . 6187 1 179 . 1 1 53 53 GLY H H 1 9.51 0.05 . 1 . . . . 45 . . . 6187 1 180 . 1 1 53 53 GLY CA C 13 45.37 0.05 . 1 . . . . 45 . . . 6187 1 181 . 1 1 53 53 GLY N N 15 103.74 0.1 . 1 . . . . 45 . . . 6187 1 182 . 1 1 53 53 GLY HA3 H 1 4.277 0.05 . 1 . . . . 45 . . . 6187 1 183 . 1 1 53 53 GLY HA2 H 1 3.642 0.05 . 1 . . . . 45 . . . 6187 1 184 . 1 1 54 54 LYS H H 1 7.7 0.05 . 1 . . . . 46 . . . 6187 1 185 . 1 1 54 54 LYS HA H 1 4.751 0.05 . 1 . . . . 46 . . . 6187 1 186 . 1 1 54 54 LYS CA C 13 54.48 0.05 . 1 . . . . 46 . . . 6187 1 187 . 1 1 54 54 LYS N N 15 121.8 0.1 . 1 . . . . 46 . . . 6187 1 188 . 1 1 55 55 VAL H H 1 8.58 0.05 . 1 . . . . 47 . . . 6187 1 189 . 1 1 55 55 VAL HA H 1 4.305 0.05 . 1 . . . . 47 . . . 6187 1 190 . 1 1 55 55 VAL CA C 13 64.56 0.05 . 1 . . . . 47 . . . 6187 1 191 . 1 1 55 55 VAL N N 15 124.49 0.1 . 1 . . . . 47 . . . 6187 1 192 . 1 1 56 56 VAL H H 1 7.97 0.05 . 1 . . . . 48 . . . 6187 1 193 . 1 1 56 56 VAL HA H 1 4.789 0.05 . 1 . . . . 48 . . . 6187 1 194 . 1 1 56 56 VAL CA C 13 59.58 0.05 . 1 . . . . 48 . . . 6187 1 195 . 1 1 56 56 VAL N N 15 121.3 0.1 . 1 . . . . 48 . . . 6187 1 196 . 1 1 57 57 LEU H H 1 8.47 0.05 . 1 . . . . 49 . . . 6187 1 197 . 1 1 57 57 LEU HA H 1 5.301 0.05 . 1 . . . . 49 . . . 6187 1 198 . 1 1 57 57 LEU CA C 13 53.59 0.05 . 1 . . . . 49 . . . 6187 1 199 . 1 1 57 57 LEU N N 15 120.32 0.1 . 1 . . . . 49 . . . 6187 1 200 . 1 1 58 58 GLU H H 1 8.67 0.05 . 1 . . . . 50 . . . 6187 1 201 . 1 1 58 58 GLU HA H 1 3.863 0.05 . 1 . . . . 50 . . . 6187 1 202 . 1 1 58 58 GLU CA C 13 59.27 0.05 . 1 . . . . 50 . . . 6187 1 203 . 1 1 58 58 GLU N N 15 116.72 0.1 . 1 . . . . 50 . . . 6187 1 204 . 1 1 59 59 ASP H H 1 7.77 0.05 . 1 . . . . 51 . . . 6187 1 205 . 1 1 59 59 ASP HA H 1 4.809 0.05 . 1 . . . . 51 . . . 6187 1 206 . 1 1 59 59 ASP CA C 13 53.77 0.05 . 1 . . . . 51 . . . 6187 1 207 . 1 1 59 59 ASP N N 15 115.12 0.1 . 1 . . . . 51 . . . 6187 1 208 . 1 1 60 60 ASP H H 1 7.62 0.05 . 1 . . . . 52 . . . 6187 1 209 . 1 1 60 60 ASP HA H 1 4.64 0.05 . 1 . . . . 52 . . . 6187 1 210 . 1 1 60 60 ASP CA C 13 55.19 0.05 . 1 . . . . 52 . . . 6187 1 211 . 1 1 60 60 ASP N N 15 120.33 0.1 . 1 . . . . 52 . . . 6187 1 212 . 1 1 61 61 GLU H H 1 8.52 0.05 . 1 . . . . 53 . . . 6187 1 213 . 1 1 61 61 GLU HA H 1 4.679 0.05 . 1 . . . . 53 . . . 6187 1 214 . 1 1 61 61 GLU CA C 13 56.69 0.05 . 1 . . . . 53 . . . 6187 1 215 . 1 1 61 61 GLU N N 15 120.07 0.1 . 1 . . . . 53 . . . 6187 1 216 . 1 1 62 62 VAL H H 1 7.77 0.05 . 1 . . . . 54 . . . 6187 1 217 . 1 1 62 62 VAL HA H 1 4.48 0.05 . 1 . . . . 54 . . . 6187 1 218 . 1 1 62 62 VAL CA C 13 60.54 0.05 . 1 . . . . 54 . . . 6187 1 219 . 1 1 62 62 VAL N N 15 116.88 0.1 . 1 . . . . 54 . . . 6187 1 220 . 1 1 63 63 LYS H H 1 9.13 0.05 . 1 . . . . 55 . . . 6187 1 221 . 1 1 63 63 LYS HA H 1 4.386 0.05 . 1 . . . . 55 . . . 6187 1 222 . 1 1 63 63 LYS CA C 13 54.64 0.05 . 1 . . . . 55 . . . 6187 1 223 . 1 1 63 63 LYS N N 15 126.44 0.1 . 1 . . . . 55 . . . 6187 1 224 . 1 1 64 64 ASP H H 1 7.06 0.05 . 1 . . . . 56 . . . 6187 1 225 . 1 1 64 64 ASP HA H 1 3.425 0.05 . 1 . . . . 56 . . . 6187 1 226 . 1 1 64 64 ASP CA C 13 55.5 0.05 . 1 . . . . 56 . . . 6187 1 227 . 1 1 64 64 ASP N N 15 117.4 0.1 . 1 . . . . 56 . . . 6187 1 228 . 1 1 65 65 GLY H H 1 7.95 0.05 . 1 . . . . 57 . . . 6187 1 229 . 1 1 65 65 GLY CA C 13 45.22 0.05 . 1 . . . . 57 . . . 6187 1 230 . 1 1 65 65 GLY N N 15 113.81 0.1 . 1 . . . . 57 . . . 6187 1 231 . 1 1 65 65 GLY HA3 H 1 4.163 0.05 . 1 . . . . 57 . . . 6187 1 232 . 1 1 65 65 GLY HA2 H 1 3.743 0.05 . 1 . . . . 57 . . . 6187 1 233 . 1 1 66 66 ASP H H 1 7.87 0.05 . 1 . . . . 58 . . . 6187 1 234 . 1 1 66 66 ASP HA H 1 4.706 0.05 . 1 . . . . 58 . . . 6187 1 235 . 1 1 66 66 ASP CA C 13 55.99 0.05 . 1 . . . . 58 . . . 6187 1 236 . 1 1 66 66 ASP N N 15 122.2 0.1 . 1 . . . . 58 . . . 6187 1 237 . 1 1 67 67 PHE H H 1 8.23 0.05 . 1 . . . . 59 . . . 6187 1 238 . 1 1 67 67 PHE HA H 1 5.445 0.05 . 1 . . . . 59 . . . 6187 1 239 . 1 1 67 67 PHE CA C 13 55.1156 0.05 . 1 . . . . 59 . . . 6187 1 240 . 1 1 67 67 PHE N N 15 120.22 0.1 . 1 . . . . 59 . . . 6187 1 241 . 1 1 68 68 VAL H H 1 9.21 0.05 . 1 . . . . 60 . . . 6187 1 242 . 1 1 68 68 VAL HA H 1 4.875 0.05 . 1 . . . . 60 . . . 6187 1 243 . 1 1 68 68 VAL CA C 13 60.64 0.05 . 1 . . . . 60 . . . 6187 1 244 . 1 1 68 68 VAL N N 15 129.68 0.1 . 1 . . . . 60 . . . 6187 1 245 . 1 1 69 69 GLU H H 1 8.87 0.05 . 1 . . . . 61 . . . 6187 1 246 . 1 1 69 69 GLU HA H 1 4.899 0.05 . 1 . . . . 61 . . . 6187 1 247 . 1 1 69 69 GLU CA C 13 54.45 0.05 . 1 . . . . 61 . . . 6187 1 248 . 1 1 69 69 GLU N N 15 126.24 0.1 . 1 . . . . 61 . . . 6187 1 249 . 1 1 70 70 VAL H H 1 8.89 0.05 . 1 . . . . 62 . . . 6187 1 250 . 1 1 70 70 VAL HA H 1 4.365 0.05 . 1 . . . . 62 . . . 6187 1 251 . 1 1 70 70 VAL CA C 13 61.44 0.05 . 1 . . . . 62 . . . 6187 1 252 . 1 1 70 70 VAL N N 15 123.54 0.1 . 1 . . . . 62 . . . 6187 1 253 . 1 1 71 71 ILE H H 1 9.22 0.05 . 1 . . . . 63 . . . 6187 1 254 . 1 1 71 71 ILE HA H 1 4.487 0.05 . 1 . . . . 63 . . . 6187 1 255 . 1 1 71 71 ILE CA C 13 58.73 0.05 . 1 . . . . 63 . . . 6187 1 256 . 1 1 71 71 ILE N N 15 129.06 0.1 . 1 . . . . 63 . . . 6187 1 257 . 1 1 73 73 VAL H H 1 8.1 0.05 . 1 . . . . 65 . . . 6187 1 258 . 1 1 73 73 VAL HA H 1 4.16 0.05 . 1 . . . . 65 . . . 6187 1 259 . 1 1 73 73 VAL CA C 13 62.45 0.05 . 1 . . . . 65 . . . 6187 1 260 . 1 1 73 73 VAL N N 15 122.64 0.1 . 1 . . . . 65 . . . 6187 1 261 . 1 1 74 74 VAL H H 1 8.2 0.05 . 1 . . . . 66 . . . 6187 1 262 . 1 1 74 74 VAL HA H 1 4.264 0.05 . 1 . . . . 66 . . . 6187 1 263 . 1 1 74 74 VAL CA C 13 61.85 0.05 . 1 . . . . 66 . . . 6187 1 264 . 1 1 74 74 VAL N N 15 123.46 0.1 . 1 . . . . 66 . . . 6187 1 265 . 1 1 75 75 SER H H 1 8.46 0.05 . 1 . . . . 67 . . . 6187 1 266 . 1 1 75 75 SER HA H 1 4.489 0.05 . 1 . . . . 67 . . . 6187 1 267 . 1 1 75 75 SER CA C 13 58.51 0.05 . 1 . . . . 67 . . . 6187 1 268 . 1 1 75 75 SER N N 15 120.58 0.1 . 1 . . . . 67 . . . 6187 1 269 . 1 1 76 76 GLY H H 1 8.47 0.05 . 1 . . . . 68 . . . 6187 1 270 . 1 1 76 76 GLY CA C 13 45.44 0.05 . 1 . . . . 68 . . . 6187 1 271 . 1 1 76 76 GLY N N 15 111.96 0.1 . 1 . . . . 68 . . . 6187 1 272 . 1 1 76 76 GLY HA2 H 1 4.005 0.05 . 2 . . . . 68 . . . 6187 1 273 . 1 1 77 77 GLY H H 1 7.98 0.05 . 1 . . . . 69 . . . 6187 1 274 . 1 1 77 77 GLY CA C 13 46 0.05 . 1 . . . . 69 . . . 6187 1 275 . 1 1 77 77 GLY N N 15 115.1 0.1 . 1 . . . . 69 . . . 6187 1 276 . 1 1 77 77 GLY HA2 H 1 3.786 0.05 . 2 . . . . 69 . . . 6187 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_1 _Coupling_constant_list.Entry_ID 6187 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 3 'SOFT HNCA-E.COSY' 1 $sample_1 isotropic 6187 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 9 9 SER H H . . . 1 1 9 9 SER HA H . . 7.6934 . . 2.5 . . . . . . . . . . . 6187 1 2 3JHNHA . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HA H . . 7.3975 . . 2.5 . . . . . . . . . . . 6187 1 3 3JHNHA . 1 1 11 11 MET H H . . . 1 1 11 11 MET HA H . . 7.5515 . . 2.5 . . . . . . . . . . . 6187 1 4 3JHNHA . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE HA H . . 9.7251 . . 2.5 . . . . . . . . . . . 6187 1 5 3JHNHA . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HA H . . 7.2479 . . 2.5 . . . . . . . . . . . 6187 1 6 3JHNHA . 1 1 14 14 VAL H H . . . 1 1 14 14 VAL HA H . . 10.1123 . . 2.5 . . . . . . . . . . . 6187 1 7 3JHNHA . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HA H . . 8.4645 . . 2.5 . . . . . . . . . . . 6187 1 8 3JHNHA . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL HA H . . 9.7504 . . 2.5 . . . . . . . . . . . 6187 1 9 3JHNHA . 1 1 17 17 ILE H H . . . 1 1 17 17 ILE HA H . . 3.9908 . . 2.5 . . . . . . . . . . . 6187 1 10 3JHNHA . 1 1 19 19 ARG H H . . . 1 1 19 19 ARG HA H . . 9.4534 . . 2.5 . . . . . . . . . . . 6187 1 11 3JHNHA . 1 1 20 20 ASN H H . . . 1 1 20 20 ASN HA H . . 7.0268 . . 2.5 . . . . . . . . . . . 6187 1 12 3JHNHA . 1 1 21 21 ILE H H . . . 1 1 21 21 ILE HA H . . 9.8362 . . 2.5 . . . . . . . . . . . 6187 1 13 3JHNHA . 1 1 22 22 GLU H H . . . 1 1 22 22 GLU HA H . . 8.7076 . . 2.5 . . . . . . . . . . . 6187 1 14 3JHNHA . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HA H . . 8.4293 . . 2.5 . . . . . . . . . . . 6187 1 15 3JHNHA . 1 1 24 24 GLU H H . . . 1 1 24 24 GLU HA H . . 8.6999 . . 2.5 . . . . . . . . . . . 6187 1 16 3JHNHA . 1 1 25 25 ILE H H . . . 1 1 25 25 ILE HA H . . 11.2123 . . 2.5 . . . . . . . . . . . 6187 1 17 3JHNHA . 1 1 26 26 GLU H H . . . 1 1 26 26 GLU HA H . . 4.3373 . . 2.5 . . . . . . . . . . . 6187 1 18 3JHNHA . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HA H . . 7.8078 . . 2.5 . . . . . . . . . . . 6187 1 19 3JHNHA . 1 1 29 29 GLU H H . . . 1 1 29 29 GLU HA H . . 2.2253 . . 2.5 . . . . . . . . . . . 6187 1 20 3JHNHA . 1 1 31 31 MET H H . . . 1 1 31 31 MET HA H . . 3.8313 . . 2.5 . . . . . . . . . . . 6187 1 21 3JHNHA . 1 1 32 32 LYS H H . . . 1 1 32 32 LYS HA H . . 7.0125 . . 2.5 . . . . . . . . . . . 6187 1 22 3JHNHA . 1 1 33 33 VAL H H . . . 1 1 33 33 VAL HA H . . 3.1262 . . 2.5 . . . . . . . . . . . 6187 1 23 3JHNHA . 1 1 34 34 ARG H H . . . 1 1 34 34 ARG HA H . . 3.2274 . . 2.5 . . . . . . . . . . . 6187 1 24 3JHNHA . 1 1 35 35 ASP H H . . . 1 1 35 35 ASP HA H . . 5.676 . . 2.5 . . . . . . . . . . . 6187 1 25 3JHNHA . 1 1 36 36 ILE H H . . . 1 1 36 36 ILE HA H . . 6.3976 . . 2.5 . . . . . . . . . . . 6187 1 26 3JHNHA . 1 1 37 37 LEU H H . . . 1 1 37 37 LEU HA H . . 3.0965 . . 2.5 . . . . . . . . . . . 6187 1 27 3JHNHA . 1 1 38 38 ARG H H . . . 1 1 38 38 ARG HA H . . 2.6488 . . 2.5 . . . . . . . . . . . 6187 1 28 3JHNHA . 1 1 39 39 ALA H H . . . 1 1 39 39 ALA HA H . . 5.1458 . . 2.5 . . . . . . . . . . . 6187 1 29 3JHNHA . 1 1 40 40 VAL H H . . . 1 1 40 40 VAL HA H . . 10.703 . . 2.5 . . . . . . . . . . . 6187 1 30 3JHNHA . 1 1 42 42 PHE H H . . . 1 1 42 42 PHE HA H . . 10.1398 . . 2.5 . . . . . . . . . . . 6187 1 31 3JHNHA . 1 1 43 43 ASN H H . . . 1 1 43 43 ASN HA H . . 7.0213 . . 2.5 . . . . . . . . . . . 6187 1 32 3JHNHA . 1 1 44 44 THR H H . . . 1 1 44 44 THR HA H . . 4.5254 . . 2.5 . . . . . . . . . . . 6187 1 33 3JHNHA . 1 1 45 45 GLU H H . . . 1 1 45 45 GLU HA H . . 8.7461 . . 2.5 . . . . . . . . . . . 6187 1 34 3JHNHA . 1 1 46 46 SER H H . . . 1 1 46 46 SER HA H . . 10.2432 . . 2.5 . . . . . . . . . . . 6187 1 35 3JHNHA . 1 1 47 47 ALA H H . . . 1 1 47 47 ALA HA H . . 7.3953 . . 2.5 . . . . . . . . . . . 6187 1 36 3JHNHA . 1 1 48 48 ILE H H . . . 1 1 48 48 ILE HA H . . 10.3224 . . 2.5 . . . . . . . . . . . 6187 1 37 3JHNHA . 1 1 49 49 ALA H H . . . 1 1 49 49 ALA HA H . . 9.3511 . . 2.5 . . . . . . . . . . . 6187 1 38 3JHNHA . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HA H . . 9.4127 . . 2.5 . . . . . . . . . . . 6187 1 39 3JHNHA . 1 1 51 51 VAL H H . . . 1 1 51 51 VAL HA H . . 9.1707 . . 2.5 . . . . . . . . . . . 6187 1 40 3JHNHA . 1 1 52 52 ASN H H . . . 1 1 52 52 ASN HA H . . 6.9168 . . 2.5 . . . . . . . . . . . 6187 1 41 3JHNHA . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HA H . . 9.7328 . . 2.5 . . . . . . . . . . . 6187 1 42 3JHNHA . 1 1 55 55 VAL H H . . . 1 1 55 55 VAL HA H . . 4.0601 . . 2.5 . . . . . . . . . . . 6187 1 43 3JHNHA . 1 1 56 56 VAL H H . . . 1 1 56 56 VAL HA H . . 10.6304 . . 2.5 . . . . . . . . . . . 6187 1 44 3JHNHA . 1 1 57 57 LEU H H . . . 1 1 57 57 LEU HA H . . 8.8814 . . 2.5 . . . . . . . . . . . 6187 1 45 3JHNHA . 1 1 58 58 GLU H H . . . 1 1 58 58 GLU HA H . . 2.1593 . . 2.5 . . . . . . . . . . . 6187 1 46 3JHNHA . 1 1 59 59 ASP H H . . . 1 1 59 59 ASP HA H . . 8.9749 . . 2.5 . . . . . . . . . . . 6187 1 47 3JHNHA . 1 1 60 60 ASP H H . . . 1 1 60 60 ASP HA H . . 5.3867 . . 2.5 . . . . . . . . . . . 6187 1 48 3JHNHA . 1 1 61 61 GLU H H . . . 1 1 61 61 GLU HA H . . 5.7497 . . 2.5 . . . . . . . . . . . 6187 1 49 3JHNHA . 1 1 62 62 VAL H H . . . 1 1 62 62 VAL HA H . . 10.9714 . . 2.5 . . . . . . . . . . . 6187 1 50 3JHNHA . 1 1 63 63 LYS H H . . . 1 1 63 63 LYS HA H . . 9.0002 . . 2.5 . . . . . . . . . . . 6187 1 51 3JHNHA . 1 1 66 66 ASP H H . . . 1 1 66 66 ASP HA H . . 4.5331 . . 2.5 . . . . . . . . . . . 6187 1 52 3JHNHA . 1 1 67 67 PHE H H . . . 1 1 67 67 PHE HA H . . 7.41587 . . 2.5 . . . . . . . . . . . 6187 1 53 3JHNHA . 1 1 68 68 VAL H H . . . 1 1 68 68 VAL HA H . . 10.0463 . . 2.5 . . . . . . . . . . . 6187 1 54 3JHNHA . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU HA H . . 9.1817 . . 2.5 . . . . . . . . . . . 6187 1 55 3JHNHA . 1 1 70 70 VAL H H . . . 1 1 70 70 VAL HA H . . 10.164 . . 2.5 . . . . . . . . . . . 6187 1 56 3JHNHA . 1 1 71 71 ILE H H . . . 1 1 71 71 ILE HA H . . 8.2005 . . 2.5 . . . . . . . . . . . 6187 1 57 3JHNHA . 1 1 73 73 VAL H H . . . 1 1 73 73 VAL HA H . . 7.029 . . 2.5 . . . . . . . . . . . 6187 1 58 3JHNHA . 1 1 74 74 VAL H H . . . 1 1 74 74 VAL HA H . . 9.1212 . . 2.5 . . . . . . . . . . . 6187 1 59 3JHNHA . 1 1 75 75 SER H H . . . 1 1 75 75 SER HA H . . 7.7187 . . 2.5 . . . . . . . . . . . 6187 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_residual_dipolar_couplings_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode residual_dipolar_couplings_1 _RDC_list.Entry_ID 6187 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_cond_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 3 'SOFT HNCA-E.COSY' 1 $sample_1 isotropic 6187 1 6 'SOFT HNCA-E.COSY' 2 $sample_2 anisotropic 6187 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $NMRPIPE . . 6187 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 3DHNHA . 1 1 9 9 SER H H . . . 1 1 9 9 SER HA H . . 0.1756 . . . . . . . . . . . . . . 6187 1 2 3DHNHA . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HA H . . 0.310605 . . . . . . . . . . . . . . 6187 1 3 3DHNHA . 1 1 11 11 MET H H . . . 1 1 11 11 MET HA H . . 0.0702 . . . . . . . . . . . . . . 6187 1 4 3DHNHA . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE HA H . . 0.2865 . . . . . . . . . . . . . . 6187 1 5 3DHNHA . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HA H . . 0.1933 . . . . . . . . . . . . . . 6187 1 6 3DHNHA . 1 1 14 14 VAL H H . . . 1 1 14 14 VAL HA H . . -0.3306 . . . . . . . . . . . . . . 6187 1 7 3DHNHA . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HA H . . 0.1326 . . . . . . . . . . . . . . 6187 1 8 3DHNHA . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL HA H . . -0.4324 . . . . . . . . . . . . . . 6187 1 9 3DHNHA . 1 1 17 17 ILE H H . . . 1 1 17 17 ILE HA H . . 0.122649 . . . . . . . . . . . . . . 6187 1 10 3DHNHA . 1 1 18 18 GLY H H . . . 1 1 18 18 GLY HA H . . -13.356 . . . . . . . . . . . . . . 6187 1 11 3DHNHA . 1 1 19 19 ARG H H . . . 1 1 19 19 ARG HA H . . 0.1115 . . . . . . . . . . . . . . 6187 1 12 3DHNHA . 1 1 20 20 ASN H H . . . 1 1 20 20 ASN HA H . . -0.7971 . . . . . . . . . . . . . . 6187 1 13 3DHNHA . 1 1 21 21 ILE H H . . . 1 1 21 21 ILE HA H . . 0.0117 . . . . . . . . . . . . . . 6187 1 14 3DHNHA . 1 1 22 22 GLU H H . . . 1 1 22 22 GLU HA H . . -0.2883 . . . . . . . . . . . . . . 6187 1 15 3DHNHA . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS HA H . . -0.0022 . . . . . . . . . . . . . . 6187 1 16 3DHNHA . 1 1 24 24 GLU H H . . . 1 1 24 24 GLU HA H . . 0.1431 . . . . . . . . . . . . . . 6187 1 17 3DHNHA . 1 1 25 25 ILE H H . . . 1 1 25 25 ILE HA H . . 0.2375 . . . . . . . . . . . . . . 6187 1 18 3DHNHA . 1 1 26 26 GLU H H . . . 1 1 26 26 GLU HA H . . -0.0544 . . . . . . . . . . . . . . 6187 1 19 3DHNHA . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HA H . . -0.1999 . . . . . . . . . . . . . . 6187 1 20 3DHNHA . 1 1 29 29 GLU H H . . . 1 1 29 29 GLU HA H . . 0.1865 . . . . . . . . . . . . . . 6187 1 21 3DHNHA . 1 1 30 30 GLY H H . . . 1 1 30 30 GLY HA H . . 0.003 . . . . . . . . . . . . . . 6187 1 22 3DHNHA . 1 1 31 31 MET H H . . . 1 1 31 31 MET HA H . . -0.2317 . . . . . . . . . . . . . . 6187 1 23 3DHNHA . 1 1 32 32 LYS H H . . . 1 1 32 32 LYS HA H . . 0.4715 . . . . . . . . . . . . . . 6187 1 24 3DHNHA . 1 1 33 33 VAL H H . . . 1 1 33 33 VAL HA H . . 0.0558 . . . . . . . . . . . . . . 6187 1 25 3DHNHA . 1 1 34 34 ARG H H . . . 1 1 34 34 ARG HA H . . -0.1571 . . . . . . . . . . . . . . 6187 1 26 3DHNHA . 1 1 35 35 ASP H H . . . 1 1 35 35 ASP HA H . . 0.2032 . . . . . . . . . . . . . . 6187 1 27 3DHNHA . 1 1 36 36 ILE H H . . . 1 1 36 36 ILE HA H . . 0.1587 . . . . . . . . . . . . . . 6187 1 28 3DHNHA . 1 1 37 37 LEU H H . . . 1 1 37 37 LEU HA H . . -0.0696 . . . . . . . . . . . . . . 6187 1 29 3DHNHA . 1 1 38 38 ARG H H . . . 1 1 38 38 ARG HA H . . 0.2119 . . . . . . . . . . . . . . 6187 1 30 3DHNHA . 1 1 39 39 ALA H H . . . 1 1 39 39 ALA HA H . . 0.1224 . . . . . . . . . . . . . . 6187 1 31 3DHNHA . 1 1 40 40 VAL H H . . . 1 1 40 40 VAL HA H . . 0.1994 . . . . . . . . . . . . . . 6187 1 32 3DHNHA . 1 1 41 41 GLY H H . . . 1 1 41 41 GLY HA H . . -6.598 . . . . . . . . . . . . . . 6187 1 33 3DHNHA . 1 1 42 42 PHE H H . . . 1 1 42 42 PHE HA H . . -0.4946 . . . . . . . . . . . . . . 6187 1 34 3DHNHA . 1 1 43 43 ASN H H . . . 1 1 43 43 ASN HA H . . 0.0224 . . . . . . . . . . . . . . 6187 1 35 3DHNHA . 1 1 44 44 THR H H . . . 1 1 44 44 THR HA H . . 0.324 . . . . . . . . . . . . . . 6187 1 36 3DHNHA . 1 1 45 45 GLU H H . . . 1 1 45 45 GLU HA H . . -0.1082 . . . . . . . . . . . . . . 6187 1 37 3DHNHA . 1 1 46 46 SER H H . . . 1 1 46 46 SER HA H . . -0.1887 . . . . . . . . . . . . . . 6187 1 38 3DHNHA . 1 1 47 47 ALA H H . . . 1 1 47 47 ALA HA H . . 0.2536 . . . . . . . . . . . . . . 6187 1 39 3DHNHA . 1 1 48 48 ILE H H . . . 1 1 48 48 ILE HA H . . 0.0283 . . . . . . . . . . . . . . 6187 1 40 3DHNHA . 1 1 49 49 ALA H H . . . 1 1 49 49 ALA HA H . . -0.0242 . . . . . . . . . . . . . . 6187 1 41 3DHNHA . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS HA H . . 0.3038 . . . . . . . . . . . . . . 6187 1 42 3DHNHA . 1 1 51 51 VAL H H . . . 1 1 51 51 VAL HA H . . -0.2105 . . . . . . . . . . . . . . 6187 1 43 3DHNHA . 1 1 52 52 ASN H H . . . 1 1 52 52 ASN HA H . . 0.8053 . . . . . . . . . . . . . . 6187 1 44 3DHNHA . 1 1 53 53 GLY H H . . . 1 1 53 53 GLY HA H . . -1.179 . . . . . . . . . . . . . . 6187 1 45 3DHNHA . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS HA H . . -0.1724 . . . . . . . . . . . . . . 6187 1 46 3DHNHA . 1 1 55 55 VAL H H . . . 1 1 55 55 VAL HA H . . 0.2457 . . . . . . . . . . . . . . 6187 1 47 3DHNHA . 1 1 56 56 VAL H H . . . 1 1 56 56 VAL HA H . . 0.0394 . . . . . . . . . . . . . . 6187 1 48 3DHNHA . 1 1 57 57 LEU H H . . . 1 1 57 57 LEU HA H . . -0.2718 . . . . . . . . . . . . . . 6187 1 49 3DHNHA . 1 1 58 58 GLU H H . . . 1 1 58 58 GLU HA H . . 0.0995 . . . . . . . . . . . . . . 6187 1 50 3DHNHA . 1 1 59 59 ASP H H . . . 1 1 59 59 ASP HA H . . -0.245 . . . . . . . . . . . . . . 6187 1 51 3DHNHA . 1 1 60 60 ASP H H . . . 1 1 60 60 ASP HA H . . -0.1148 . . . . . . . . . . . . . . 6187 1 52 3DHNHA . 1 1 61 61 GLU H H . . . 1 1 61 61 GLU HA H . . 0.352 . . . . . . . . . . . . . . 6187 1 53 3DHNHA . 1 1 62 62 VAL H H . . . 1 1 62 62 VAL HA H . . 0.5453 . . . . . . . . . . . . . . 6187 1 54 3DHNHA . 1 1 63 63 LYS H H . . . 1 1 63 63 LYS HA H . . -0.3801 . . . . . . . . . . . . . . 6187 1 55 3DHNHA . 1 1 65 65 GLY H H . . . 1 1 65 65 GLY HA H . . 14.306 . . . . . . . . . . . . . . 6187 1 56 3DHNHA . 1 1 66 66 ASP H H . . . 1 1 66 66 ASP HA H . . 0.2017 . . . . . . . . . . . . . . 6187 1 57 3DHNHA . 1 1 67 67 PHE H H . . . 1 1 67 67 PHE HA H . . -0.14057 . . . . . . . . . . . . . . 6187 1 58 3DHNHA . 1 1 68 68 VAL H H . . . 1 1 68 68 VAL HA H . . -0.0821 . . . . . . . . . . . . . . 6187 1 59 3DHNHA . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU HA H . . -0.1232 . . . . . . . . . . . . . . 6187 1 60 3DHNHA . 1 1 70 70 VAL H H . . . 1 1 70 70 VAL HA H . . -0.2719 . . . . . . . . . . . . . . 6187 1 61 3DHNHA . 1 1 71 71 ILE H H . . . 1 1 71 71 ILE HA H . . 0.1104 . . . . . . . . . . . . . . 6187 1 62 3DHNHA . 1 1 74 74 VAL H H . . . 1 1 74 74 VAL HA H . . 0.1157 . . . . . . . . . . . . . . 6187 1 63 3DHNHA . 1 1 75 75 SER H H . . . 1 1 75 75 SER HA H . . 0.0659 . . . . . . . . . . . . . . 6187 1 64 3DHNHA . 1 1 76 76 GLY H H . . . 1 1 76 76 GLY HA H . . -0.457 . . . . . . . . . . . . . . 6187 1 65 3DHNHA . 1 1 77 77 GLY H H . . . 1 1 77 77 GLY HA H . . 1.302 . . . . . . . . . . . . . . 6187 1 stop_ save_ save_residual_dipolar_couplings_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode residual_dipolar_couplings_2 _RDC_list.Entry_ID 6187 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_cond_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 5 '15N COUPLED HSQC' 1 $sample_1 isotropic 6187 2 8 '15N COUPLED HSQC' 2 $sample_2 anisotropic 6187 2 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $NMRPIPE . . 6187 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DHNN . 1 1 9 9 SER H H . . . 1 1 9 9 SER N N . . -4.005 . . . . . . . . . . . . . . 6187 2 2 1DHNN . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS N N . . -6.104 . . . . . . . . . . . . . . 6187 2 3 1DHNN . 1 1 11 11 MET H H . . . 1 1 11 11 MET N N . . -7.25 . . . . . . . . . . . . . . 6187 2 4 1DHNN . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE N N . . -12.635 . . . . . . . . . . . . . . 6187 2 5 1DHNN . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS N N . . -8.995 . . . . . . . . . . . . . . 6187 2 6 1DHNN . 1 1 14 14 VAL H H . . . 1 1 14 14 VAL N N . . -3.539 . . . . . . . . . . . . . . 6187 2 7 1DHNN . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS N N . . -4.353 . . . . . . . . . . . . . . 6187 2 8 1DHNN . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL N N . . -1.236 . . . . . . . . . . . . . . 6187 2 9 1DHNN . 1 1 17 17 ILE H H . . . 1 1 17 17 ILE N N . . -3.786 . . . . . . . . . . . . . . 6187 2 10 1DHNN . 1 1 18 18 GLY H H . . . 1 1 18 18 GLY N N . . 3.218 . . . . . . . . . . . . . . 6187 2 11 1DHNN . 1 1 19 19 ARG H H . . . 1 1 19 19 ARG N N . . 0.936 . . . . . . . . . . . . . . 6187 2 12 1DHNN . 1 1 20 20 ASN H H . . . 1 1 20 20 ASN N N . . -5.459 . . . . . . . . . . . . . . 6187 2 13 1DHNN . 1 1 21 21 ILE H H . . . 1 1 21 21 ILE N N . . -1.727 . . . . . . . . . . . . . . 6187 2 14 1DHNN . 1 1 22 22 GLU H H . . . 1 1 22 22 GLU N N . . -6.594 . . . . . . . . . . . . . . 6187 2 15 1DHNN . 1 1 23 23 LYS H H . . . 1 1 23 23 LYS N N . . -3.727 . . . . . . . . . . . . . . 6187 2 16 1DHNN . 1 1 24 24 GLU H H . . . 1 1 24 24 GLU N N . . -5.521 . . . . . . . . . . . . . . 6187 2 17 1DHNN . 1 1 25 25 ILE H H . . . 1 1 25 25 ILE N N . . -12.934 . . . . . . . . . . . . . . 6187 2 18 1DHNN . 1 1 26 26 GLU H H . . . 1 1 26 26 GLU N N . . -9.353 . . . . . . . . . . . . . . 6187 2 19 1DHNN . 1 1 27 27 TRP H H . . . 1 1 27 27 TRP N N . . 5.604 . . . . . . . . . . . . . . 6187 2 20 1DHNN . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG N N . . 9.419 . . . . . . . . . . . . . . 6187 2 21 1DHNN . 1 1 29 29 GLU H H . . . 1 1 29 29 GLU N N . . 10.407 . . . . . . . . . . . . . . 6187 2 22 1DHNN . 1 1 30 30 GLY H H . . . 1 1 30 30 GLY N N . . -9.083 . . . . . . . . . . . . . . 6187 2 23 1DHNN . 1 1 31 31 MET H H . . . 1 1 31 31 MET N N . . 12.624 . . . . . . . . . . . . . . 6187 2 24 1DHNN . 1 1 32 32 LYS H H . . . 1 1 32 32 LYS N N . . -13.404 . . . . . . . . . . . . . . 6187 2 25 1DHNN . 1 1 33 33 VAL H H . . . 1 1 33 33 VAL N N . . -7 . . . . . . . . . . . . . . 6187 2 26 1DHNN . 1 1 34 34 ARG H H . . . 1 1 34 34 ARG N N . . -4.465 . . . . . . . . . . . . . . 6187 2 27 1DHNN . 1 1 35 35 ASP H H . . . 1 1 35 35 ASP N N . . -3.004 . . . . . . . . . . . . . . 6187 2 28 1DHNN . 1 1 36 36 ILE H H . . . 1 1 36 36 ILE N N . . -3.32 . . . . . . . . . . . . . . 6187 2 29 1DHNN . 1 1 37 37 LEU H H . . . 1 1 37 37 LEU N N . . -6.419 . . . . . . . . . . . . . . 6187 2 30 1DHNN . 1 1 38 38 ARG H H . . . 1 1 38 38 ARG N N . . -0.721 . . . . . . . . . . . . . . 6187 2 31 1DHNN . 1 1 39 39 ALA H H . . . 1 1 39 39 ALA N N . . -9.935 . . . . . . . . . . . . . . 6187 2 32 1DHNN . 1 1 40 40 VAL H H . . . 1 1 40 40 VAL N N . . -5.655 . . . . . . . . . . . . . . 6187 2 33 1DHNN . 1 1 41 41 GLY H H . . . 1 1 41 41 GLY N N . . 3.466 . . . . . . . . . . . . . . 6187 2 34 1DHNN . 1 1 42 42 PHE H H . . . 1 1 42 42 PHE N N . . 14.948 . . . . . . . . . . . . . . 6187 2 35 1DHNN . 1 1 43 43 ASN H H . . . 1 1 43 43 ASN N N . . 3.914 . . . . . . . . . . . . . . 6187 2 36 1DHNN . 1 1 44 44 THR H H . . . 1 1 44 44 THR N N . . -5.295 . . . . . . . . . . . . . . 6187 2 37 1DHNN . 1 1 45 45 GLU H H . . . 1 1 45 45 GLU N N . . -4.789 . . . . . . . . . . . . . . 6187 2 38 1DHNN . 1 1 46 46 SER H H . . . 1 1 46 46 SER N N . . 6.158 . . . . . . . . . . . . . . 6187 2 39 1DHNN . 1 1 47 47 ALA H H . . . 1 1 47 47 ALA N N . . -4.65 . . . . . . . . . . . . . . 6187 2 40 1DHNN . 1 1 48 48 ILE H H . . . 1 1 48 48 ILE N N . . -5.035 . . . . . . . . . . . . . . 6187 2 41 1DHNN . 1 1 49 49 ALA H H . . . 1 1 49 49 ALA N N . . -4.232 . . . . . . . . . . . . . . 6187 2 42 1DHNN . 1 1 50 50 LYS H H . . . 1 1 50 50 LYS N N . . -4.216 . . . . . . . . . . . . . . 6187 2 43 1DHNN . 1 1 51 51 VAL H H . . . 1 1 51 51 VAL N N . . -3.678 . . . . . . . . . . . . . . 6187 2 44 1DHNN . 1 1 52 52 ASN H H . . . 1 1 52 52 ASN N N . . -7.566 . . . . . . . . . . . . . . 6187 2 45 1DHNN . 1 1 53 53 GLY H H . . . 1 1 53 53 GLY N N . . -10.005 . . . . . . . . . . . . . . 6187 2 46 1DHNN . 1 1 54 54 LYS H H . . . 1 1 54 54 LYS N N . . 7.886 . . . . . . . . . . . . . . 6187 2 47 1DHNN . 1 1 55 55 VAL H H . . . 1 1 55 55 VAL N N . . -8.074 . . . . . . . . . . . . . . 6187 2 48 1DHNN . 1 1 56 56 VAL H H . . . 1 1 56 56 VAL N N . . -3.137 . . . . . . . . . . . . . . 6187 2 49 1DHNN . 1 1 57 57 LEU H H . . . 1 1 57 57 LEU N N . . 6.296 . . . . . . . . . . . . . . 6187 2 50 1DHNN . 1 1 58 58 GLU H H . . . 1 1 58 58 GLU N N . . 17.042 . . . . . . . . . . . . . . 6187 2 51 1DHNN . 1 1 59 59 ASP H H . . . 1 1 59 59 ASP N N . . 4.691 . . . . . . . . . . . . . . 6187 2 52 1DHNN . 1 1 60 60 ASP H H . . . 1 1 60 60 ASP N N . . 4.955 . . . . . . . . . . . . . . 6187 2 53 1DHNN . 1 1 61 61 GLU H H . . . 1 1 61 61 GLU N N . . -7.066 . . . . . . . . . . . . . . 6187 2 54 1DHNN . 1 1 62 62 VAL H H . . . 1 1 62 62 VAL N N . . -7.431 . . . . . . . . . . . . . . 6187 2 55 1DHNN . 1 1 63 63 LYS H H . . . 1 1 63 63 LYS N N . . -2.933 . . . . . . . . . . . . . . 6187 2 56 1DHNN . 1 1 64 64 ASP H H . . . 1 1 64 64 ASP N N . . 0.887 . . . . . . . . . . . . . . 6187 2 57 1DHNN . 1 1 65 65 GLY H H . . . 1 1 65 65 GLY N N . . -9.775 . . . . . . . . . . . . . . 6187 2 58 1DHNN . 1 1 66 66 ASP H H . . . 1 1 66 66 ASP N N . . -8.685 . . . . . . . . . . . . . . 6187 2 59 1DHNN . 1 1 67 67 PHE H H . . . 1 1 67 67 PHE N N . . -9.715 . . . . . . . . . . . . . . 6187 2 60 1DHNN . 1 1 68 68 VAL H H . . . 1 1 68 68 VAL N N . . -1.18 . . . . . . . . . . . . . . 6187 2 61 1DHNN . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU N N . . -5.393 . . . . . . . . . . . . . . 6187 2 62 1DHNN . 1 1 70 70 VAL H H . . . 1 1 70 70 VAL N N . . -0.608 . . . . . . . . . . . . . . 6187 2 63 1DHNN . 1 1 71 71 ILE H H . . . 1 1 71 71 ILE N N . . -4.315 . . . . . . . . . . . . . . 6187 2 64 1DHNN . 1 1 73 73 VAL H H . . . 1 1 73 73 VAL N N . . -7.076 . . . . . . . . . . . . . . 6187 2 65 1DHNN . 1 1 74 74 VAL H H . . . 1 1 74 74 VAL N N . . -6.633 . . . . . . . . . . . . . . 6187 2 66 1DHNN . 1 1 75 75 SER H H . . . 1 1 75 75 SER N N . . -3.259 . . . . . . . . . . . . . . 6187 2 67 1DHNN . 1 1 76 76 GLY H H . . . 1 1 76 76 GLY N N . . -2.389 . . . . . . . . . . . . . . 6187 2 68 1DHNN . 1 1 77 77 GLY H H . . . 1 1 77 77 GLY N N . . 0.004 . . . . . . . . . . . . . . 6187 2 stop_ save_ save_residual_dipolar_couplings_3 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode residual_dipolar_couplings_3 _RDC_list.Entry_ID 6187 _RDC_list.ID 3 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_cond_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 3 'SOFT HNCA-E.COSY' 1 $sample_1 isotropic 6187 3 6 'SOFT HNCA-E.COSY' 2 $sample_2 anisotropic 6187 3 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $NMRPIPE . . 6187 3 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DHACA . 1 1 9 9 SER HA H . . . 1 1 9 9 SER CA C . . 4.4445 . . . . . . . . . . . . . . 6187 3 2 1DHACA . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS CA C . . 6.7865 . . . . . . . . . . . . . . 6187 3 3 1DHACA . 1 1 11 11 MET HA H . . . 1 1 11 11 MET CA C . . 7.3445 . . . . . . . . . . . . . . 6187 3 4 1DHACA . 1 1 12 12 ILE HA H . . . 1 1 12 12 ILE CA C . . 9.837 . . . . . . . . . . . . . . 6187 3 5 1DHACA . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS CA C . . 7.167 . . . . . . . . . . . . . . 6187 3 6 1DHACA . 1 1 14 14 VAL HA H . . . 1 1 14 14 VAL CA C . . 5.1855 . . . . . . . . . . . . . . 6187 3 7 1DHACA . 1 1 15 15 LYS HA H . . . 1 1 15 15 LYS CA C . . 6.5205 . . . . . . . . . . . . . . 6187 3 8 1DHACA . 1 1 16 16 VAL HA H . . . 1 1 16 16 VAL CA C . . 5.283 . . . . . . . . . . . . . . 6187 3 9 1DHACA . 1 1 17 17 ILE HA H . . . 1 1 17 17 ILE CA C . . -4.291 . . . . . . . . . . . . . . 6187 3 10 1DHACA . 1 1 18 18 GLY HA H . . . 1 1 18 18 GLY CA C . . -12.033 . . . . . . . . . . . . . . 6187 3 11 1DHACA . 1 1 19 19 ARG HA H . . . 1 1 19 19 ARG CA C . . -6.2735 . . . . . . . . . . . . . . 6187 3 12 1DHACA . 1 1 20 20 ASN HA H . . . 1 1 20 20 ASN CA C . . 8.764 . . . . . . . . . . . . . . 6187 3 13 1DHACA . 1 1 21 21 ILE HA H . . . 1 1 21 21 ILE CA C . . 1.161 . . . . . . . . . . . . . . 6187 3 14 1DHACA . 1 1 22 22 GLU HA H . . . 1 1 22 22 GLU CA C . . 4.663 . . . . . . . . . . . . . . 6187 3 15 1DHACA . 1 1 23 23 LYS HA H . . . 1 1 23 23 LYS CA C . . 1.2035 . . . . . . . . . . . . . . 6187 3 16 1DHACA . 1 1 24 24 GLU HA H . . . 1 1 24 24 GLU CA C . . 4.1135 . . . . . . . . . . . . . . 6187 3 17 1DHACA . 1 1 25 25 ILE HA H . . . 1 1 25 25 ILE CA C . . 9.862 . . . . . . . . . . . . . . 6187 3 18 1DHACA . 1 1 26 26 GLU HA H . . . 1 1 26 26 GLU CA C . . 1.816 . . . . . . . . . . . . . . 6187 3 19 1DHACA . 1 1 28 28 ARG HA H . . . 1 1 28 28 ARG CA C . . -15.3065 . . . . . . . . . . . . . . 6187 3 20 1DHACA . 1 1 29 29 GLU HA H . . . 1 1 29 29 GLU CA C . . 9.0355 . . . . . . . . . . . . . . 6187 3 21 1DHACA . 1 1 30 30 GLY HA H . . . 1 1 30 30 GLY CA C . . 34.146 . . . . . . . . . . . . . . 6187 3 22 1DHACA . 1 1 31 31 MET HA H . . . 1 1 31 31 MET CA C . . 4.4555 . . . . . . . . . . . . . . 6187 3 23 1DHACA . 1 1 32 32 LYS HA H . . . 1 1 32 32 LYS CA C . . 8.434 . . . . . . . . . . . . . . 6187 3 24 1DHACA . 1 1 33 33 VAL HA H . . . 1 1 33 33 VAL CA C . . -0.2985 . . . . . . . . . . . . . . 6187 3 25 1DHACA . 1 1 34 34 ARG HA H . . . 1 1 34 34 ARG CA C . . -8.422 . . . . . . . . . . . . . . 6187 3 26 1DHACA . 1 1 35 35 ASP HA H . . . 1 1 35 35 ASP CA C . . 4.8745 . . . . . . . . . . . . . . 6187 3 27 1DHACA . 1 1 36 36 ILE HA H . . . 1 1 36 36 ILE CA C . . -0.3355 . . . . . . . . . . . . . . 6187 3 28 1DHACA . 1 1 37 37 LEU HA H . . . 1 1 37 37 LEU CA C . . 5.346 . . . . . . . . . . . . . . 6187 3 29 1DHACA . 1 1 38 38 ARG HA H . . . 1 1 38 38 ARG CA C . . -13.69 . . . . . . . . . . . . . . 6187 3 30 1DHACA . 1 1 39 39 ALA HA H . . . 1 1 39 39 ALA CA C . . 12.2565 . . . . . . . . . . . . . . 6187 3 31 1DHACA . 1 1 40 40 VAL HA H . . . 1 1 40 40 VAL CA C . . 1.658 . . . . . . . . . . . . . . 6187 3 32 1DHACA . 1 1 41 41 GLY HA H . . . 1 1 41 41 GLY CA C . . 32.708 . . . . . . . . . . . . . . 6187 3 33 1DHACA . 1 1 42 42 PHE HA H . . . 1 1 42 42 PHE CA C . . -10.5 . . . . . . . . . . . . . . 6187 3 34 1DHACA . 1 1 43 43 ASN HA H . . . 1 1 43 43 ASN CA C . . -13.697 . . . . . . . . . . . . . . 6187 3 35 1DHACA . 1 1 44 44 THR HA H . . . 1 1 44 44 THR CA C . . 2.258 . . . . . . . . . . . . . . 6187 3 36 1DHACA . 1 1 45 45 GLU HA H . . . 1 1 45 45 GLU CA C . . 3.5775 . . . . . . . . . . . . . . 6187 3 37 1DHACA . 1 1 46 46 SER HA H . . . 1 1 46 46 SER CA C . . -16.122 . . . . . . . . . . . . . . 6187 3 38 1DHACA . 1 1 47 47 ALA HA H . . . 1 1 47 47 ALA CA C . . 0.971 . . . . . . . . . . . . . . 6187 3 39 1DHACA . 1 1 48 48 ILE HA H . . . 1 1 48 48 ILE CA C . . 4.5855 . . . . . . . . . . . . . . 6187 3 40 1DHACA . 1 1 49 49 ALA HA H . . . 1 1 49 49 ALA CA C . . 4.625 . . . . . . . . . . . . . . 6187 3 41 1DHACA . 1 1 50 50 LYS HA H . . . 1 1 50 50 LYS CA C . . 3.643 . . . . . . . . . . . . . . 6187 3 42 1DHACA . 1 1 51 51 VAL HA H . . . 1 1 51 51 VAL CA C . . 5.115 . . . . . . . . . . . . . . 6187 3 43 1DHACA . 1 1 52 52 ASN HA H . . . 1 1 52 52 ASN CA C . . 0.1165 . . . . . . . . . . . . . . 6187 3 44 1DHACA . 1 1 53 53 GLY HA H . . . 1 1 53 53 GLY CA C . . 9.87 . . . . . . . . . . . . . . 6187 3 45 1DHACA . 1 1 54 54 LYS HA H . . . 1 1 54 54 LYS CA C . . -0.1735 . . . . . . . . . . . . . . 6187 3 46 1DHACA . 1 1 55 55 VAL HA H . . . 1 1 55 55 VAL CA C . . 6.1345 . . . . . . . . . . . . . . 6187 3 47 1DHACA . 1 1 56 56 VAL HA H . . . 1 1 56 56 VAL CA C . . 6.7405 . . . . . . . . . . . . . . 6187 3 48 1DHACA . 1 1 57 57 LEU HA H . . . 1 1 57 57 LEU CA C . . -9.385 . . . . . . . . . . . . . . 6187 3 49 1DHACA . 1 1 58 58 GLU HA H . . . 1 1 58 58 GLU CA C . . 0.7695 . . . . . . . . . . . . . . 6187 3 50 1DHACA . 1 1 59 59 ASP HA H . . . 1 1 59 59 ASP CA C . . 6.8215 . . . . . . . . . . . . . . 6187 3 51 1DHACA . 1 1 60 60 ASP HA H . . . 1 1 60 60 ASP CA C . . 2.681 . . . . . . . . . . . . . . 6187 3 52 1DHACA . 1 1 61 61 GLU HA H . . . 1 1 61 61 GLU CA C . . 11.4045 . . . . . . . . . . . . . . 6187 3 53 1DHACA . 1 1 62 62 VAL HA H . . . 1 1 62 62 VAL CA C . . 9.794 . . . . . . . . . . . . . . 6187 3 54 1DHACA . 1 1 63 63 LYS HA H . . . 1 1 63 63 LYS CA C . . 6.3445 . . . . . . . . . . . . . . 6187 3 55 1DHACA . 1 1 65 65 GLY HA H . . . 1 1 65 65 GLY CA C . . 2.626 . . . . . . . . . . . . . . 6187 3 56 1DHACA . 1 1 66 66 ASP HA H . . . 1 1 66 66 ASP CA C . . 10.794 . . . . . . . . . . . . . . 6187 3 57 1DHACA . 1 1 67 67 PHE HA H . . . 1 1 67 67 PHE CA C . . -10.5925 . . . . . . . . . . . . . . 6187 3 58 1DHACA . 1 1 68 68 VAL HA H . . . 1 1 68 68 VAL CA C . . 5.5565 . . . . . . . . . . . . . . 6187 3 59 1DHACA . 1 1 69 69 GLU HA H . . . 1 1 69 69 GLU CA C . . 3.0955 . . . . . . . . . . . . . . 6187 3 60 1DHACA . 1 1 70 70 VAL HA H . . . 1 1 70 70 VAL CA C . . 1.293 . . . . . . . . . . . . . . 6187 3 61 1DHACA . 1 1 71 71 ILE HA H . . . 1 1 71 71 ILE CA C . . 2.4135 . . . . . . . . . . . . . . 6187 3 62 1DHACA . 1 1 74 74 VAL HA H . . . 1 1 74 74 VAL CA C . . 3.5175 . . . . . . . . . . . . . . 6187 3 63 1DHACA . 1 1 75 75 SER HA H . . . 1 1 75 75 SER CA C . . 1.3465 . . . . . . . . . . . . . . 6187 3 64 1DHACA . 1 1 76 76 GLY HA H . . . 1 1 76 76 GLY CA C . . -1.249 . . . . . . . . . . . . . . 6187 3 65 1DHACA . 1 1 77 77 GLY HA H . . . 1 1 77 77 GLY CA C . . 2.173 . . . . . . . . . . . . . . 6187 3 stop_ save_ save_residual_dipolar_couplings_4 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode residual_dipolar_couplings_4 _RDC_list.Entry_ID 6187 _RDC_list.ID 4 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_cond_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 4 'MODIFIED HNCO' 1 $sample_1 isotropic 6187 4 7 'MODIFIED HNCO' 2 $sample_2 anisotropic 6187 4 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $NMRPIPE . . 6187 4 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DNC'(i-1) . 1 1 10 10 LYS N N . . . 1 1 9 9 SER C C . . 15.34085 . . . . . . . . . . . . . . 6187 4 2 1DNC'(i-1) . 1 1 11 11 MET N N . . . 1 1 10 10 LYS C C . . -11.75994 . . . . . . . . . . . . . . 6187 4 3 1DNC'(i-1) . 1 1 12 12 ILE N N . . . 1 1 11 11 MET C C . . 7.92266 . . . . . . . . . . . . . . 6187 4 4 1DNC'(i-1) . 1 1 13 13 LYS N N . . . 1 1 12 12 ILE C C . . -9.25413 . . . . . . . . . . . . . . 6187 4 5 1DNC'(i-1) . 1 1 14 14 VAL N N . . . 1 1 13 13 LYS C C . . -7.7738 . . . . . . . . . . . . . . 6187 4 6 1DNC'(i-1) . 1 1 15 15 LYS N N . . . 1 1 14 14 VAL C C . . 0.43831 . . . . . . . . . . . . . . 6187 4 7 1DNC'(i-1) . 1 1 16 16 VAL N N . . . 1 1 15 15 LYS C C . . 4.99508 . . . . . . . . . . . . . . 6187 4 8 1DNC'(i-1) . 1 1 17 17 ILE N N . . . 1 1 16 16 VAL C C . . -5.16875 . . . . . . . . . . . . . . 6187 4 9 1DNC'(i-1) . 1 1 18 18 GLY N N . . . 1 1 17 17 ILE C C . . 0.9924 . . . . . . . . . . . . . . 6187 4 10 1DNC'(i-1) . 1 1 19 19 ARG N N . . . 1 1 18 18 GLY C C . . -9.74206 . . . . . . . . . . . . . . 6187 4 11 1DNC'(i-1) . 1 1 20 20 ASN N N . . . 1 1 19 19 ARG C C . . 4.86276 . . . . . . . . . . . . . . 6187 4 12 1DNC'(i-1) . 1 1 21 21 ILE N N . . . 1 1 20 20 ASN C C . . -4.26732 . . . . . . . . . . . . . . 6187 4 13 1DNC'(i-1) . 1 1 22 22 GLU N N . . . 1 1 21 21 ILE C C . . 9.50223 . . . . . . . . . . . . . . 6187 4 14 1DNC'(i-1) . 1 1 23 23 LYS N N . . . 1 1 22 22 GLU C C . . -3.7215 . . . . . . . . . . . . . . 6187 4 15 1DNC'(i-1) . 1 1 24 24 GLU N N . . . 1 1 23 23 LYS C C . . 10.86678 . . . . . . . . . . . . . . 6187 4 16 1DNC'(i-1) . 1 1 25 25 ILE N N . . . 1 1 24 24 GLU C C . . 1.97653 . . . . . . . . . . . . . . 6187 4 17 1DNC'(i-1) . 1 1 26 26 GLU N N . . . 1 1 25 25 ILE C C . . 2.49754 . . . . . . . . . . . . . . 6187 4 18 1DNC'(i-1) . 1 1 27 27 TRP N N . . . 1 1 26 26 GLU C C . . -8.46021 . . . . . . . . . . . . . . 6187 4 19 1DNC'(i-1) . 1 1 28 28 ARG N N . . . 1 1 27 27 TRP C C . . -24.93405 . . . . . . . . . . . . . . 6187 4 20 1DNC'(i-1) . 1 1 29 29 GLU N N . . . 1 1 28 28 ARG C C . . 0.75257 . . . . . . . . . . . . . . 6187 4 21 1DNC'(i-1) . 1 1 30 30 GLY N N . . . 1 1 29 29 GLU C C . . -1.83594 . . . . . . . . . . . . . . 6187 4 22 1DNC'(i-1) . 1 1 31 31 MET N N . . . 1 1 30 30 GLY C C . . 8.79928 . . . . . . . . . . . . . . 6187 4 23 1DNC'(i-1) . 1 1 32 32 LYS N N . . . 1 1 31 31 MET C C . . 22.20495 . . . . . . . . . . . . . . 6187 4 24 1DNC'(i-1) . 1 1 33 33 VAL N N . . . 1 1 32 32 LYS C C . . -3.20049 . . . . . . . . . . . . . . 6187 4 25 1DNC'(i-1) . 1 1 34 34 ARG N N . . . 1 1 33 33 VAL C C . . 3.45686 . . . . . . . . . . . . . . 6187 4 26 1DNC'(i-1) . 1 1 35 35 ASP N N . . . 1 1 34 34 ARG C C . . 17.33392 . . . . . . . . . . . . . . 6187 4 27 1DNC'(i-1) . 1 1 36 36 ILE N N . . . 1 1 35 35 ASP C C . . -10.73446 . . . . . . . . . . . . . . 6187 4 28 1DNC'(i-1) . 1 1 37 37 LEU N N . . . 1 1 36 36 ILE C C . . 6.0371 . . . . . . . . . . . . . . 6187 4 29 1DNC'(i-1) . 1 1 38 38 ARG N N . . . 1 1 37 37 LEU C C . . -2.90277 . . . . . . . . . . . . . . 6187 4 30 1DNC'(i-1) . 1 1 39 39 ALA N N . . . 1 1 38 38 ARG C C . . 8.7662 . . . . . . . . . . . . . . 6187 4 31 1DNC'(i-1) . 1 1 40 40 VAL N N . . . 1 1 39 39 ALA C C . . -11.45395 . . . . . . . . . . . . . . 6187 4 32 1DNC'(i-1) . 1 1 41 41 GLY N N . . . 1 1 40 40 VAL C C . . -13.47183 . . . . . . . . . . . . . . 6187 4 33 1DNC'(i-1) . 1 1 42 42 PHE N N . . . 1 1 41 41 GLY C C . . -1.83594 . . . . . . . . . . . . . . 6187 4 34 1DNC'(i-1) . 1 1 43 43 ASN N N . . . 1 1 42 42 PHE C C . . -2.36522 . . . . . . . . . . . . . . 6187 4 35 1DNC'(i-1) . 1 1 44 44 THR N N . . . 1 1 43 43 ASN C C . . -2.62159 . . . . . . . . . . . . . . 6187 4 36 1DNC'(i-1) . 1 1 45 45 GLU N N . . . 1 1 44 44 THR C C . . -5.0447 . . . . . . . . . . . . . . 6187 4 37 1DNC'(i-1) . 1 1 46 46 SER N N . . . 1 1 45 45 GLU C C . . 6.16942 . . . . . . . . . . . . . . 6187 4 38 1DNC'(i-1) . 1 1 47 47 ALA N N . . . 1 1 46 46 SER C C . . -5.73938 . . . . . . . . . . . . . . 6187 4 39 1DNC'(i-1) . 1 1 48 48 ILE N N . . . 1 1 47 47 ALA C C . . -9.0143 . . . . . . . . . . . . . . 6187 4 40 1DNC'(i-1) . 1 1 49 49 ALA N N . . . 1 1 48 48 ILE C C . . -5.00335 . . . . . . . . . . . . . . 6187 4 41 1DNC'(i-1) . 1 1 50 50 LYS N N . . . 1 1 49 49 ALA C C . . 16.64751 . . . . . . . . . . . . . . 6187 4 42 1DNC'(i-1) . 1 1 51 51 VAL N N . . . 1 1 50 50 LYS C C . . 13.84398 . . . . . . . . . . . . . . 6187 4 43 1DNC'(i-1) . 1 1 52 52 ASN N N . . . 1 1 51 51 VAL C C . . -7.71591 . . . . . . . . . . . . . . 6187 4 44 1DNC'(i-1) . 1 1 53 53 GLY N N . . . 1 1 52 52 ASN C C . . 3.82074 . . . . . . . . . . . . . . 6187 4 45 1DNC'(i-1) . 1 1 54 54 LYS N N . . . 1 1 53 53 GLY C C . . -4.04403 . . . . . . . . . . . . . . 6187 4 46 1DNC'(i-1) . 1 1 55 55 VAL N N . . . 1 1 54 54 LYS C C . . 12.41327 . . . . . . . . . . . . . . 6187 4 47 1DNC'(i-1) . 1 1 56 56 VAL N N . . . 1 1 55 55 VAL C C . . -5.56571 . . . . . . . . . . . . . . 6187 4 48 1DNC'(i-1) . 1 1 57 57 LEU N N . . . 1 1 56 56 VAL C C . . -20.69154 . . . . . . . . . . . . . . 6187 4 49 1DNC'(i-1) . 1 1 58 58 GLU N N . . . 1 1 57 57 LEU C C . . 1.02548 . . . . . . . . . . . . . . 6187 4 50 1DNC'(i-1) . 1 1 59 59 ASP N N . . . 1 1 58 58 GLU C C . . -6.24385 . . . . . . . . . . . . . . 6187 4 51 1DNC'(i-1) . 1 1 60 60 ASP N N . . . 1 1 59 59 ASP C C . . -8.46021 . . . . . . . . . . . . . . 6187 4 52 1DNC'(i-1) . 1 1 61 61 GLU N N . . . 1 1 60 60 ASP C C . . 15.10102 . . . . . . . . . . . . . . 6187 4 53 1DNC'(i-1) . 1 1 62 62 VAL N N . . . 1 1 61 61 GLU C C . . 2.68775 . . . . . . . . . . . . . . 6187 4 54 1DNC'(i-1) . 1 1 63 63 LYS N N . . . 1 1 62 62 VAL C C . . 9.50223 . . . . . . . . . . . . . . 6187 4 55 1DNC'(i-1) . 1 1 64 64 ASP N N . . . 1 1 63 63 LYS C C . . 17.20987 . . . . . . . . . . . . . . 6187 4 56 1DNC'(i-1) . 1 1 65 65 GLY N N . . . 1 1 64 64 ASP C C . . -1.13299 . . . . . . . . . . . . . . 6187 4 57 1DNC'(i-1) . 1 1 66 66 ASP N N . . . 1 1 65 65 GLY C C . . 3.01855 . . . . . . . . . . . . . . 6187 4 58 1DNC'(i-1) . 1 1 67 67 PHE N N . . . 1 1 66 66 ASP C C . . -3.2253 . . . . . . . . . . . . . . 6187 4 59 1DNC'(i-1) . 1 1 68 68 VAL N N . . . 1 1 67 67 PHE C C . . 9.68417 . . . . . . . . . . . . . . 6187 4 60 1DNC'(i-1) . 1 1 69 69 GLU N N . . . 1 1 68 68 VAL C C . . 18.57442 . . . . . . . . . . . . . . 6187 4 61 1DNC'(i-1) . 1 1 70 70 VAL N N . . . 1 1 69 69 GLU C C . . -6.10326 . . . . . . . . . . . . . . 6187 4 62 1DNC'(i-1) . 1 1 71 71 ILE N N . . . 1 1 70 70 VAL C C . . 11.95015 . . . . . . . . . . . . . . 6187 4 63 1DNC'(i-1) . 1 1 73 73 VAL N N . . . 1 1 72 72 PRO C C . . 1.71189 . . . . . . . . . . . . . . 6187 4 64 1DNC'(i-1) . 1 1 74 74 VAL N N . . . 1 1 73 73 VAL C C . . -3.07644 . . . . . . . . . . . . . . 6187 4 65 1DNC'(i-1) . 1 1 75 75 SER N N . . . 1 1 74 74 VAL C C . . -0.70295 . . . . . . . . . . . . . . 6187 4 66 1DNC'(i-1) . 1 1 76 76 GLY N N . . . 1 1 75 75 SER C C . . -3.77939 . . . . . . . . . . . . . . 6187 4 67 1DNC'(i-1) . 1 1 77 77 GLY N N . . . 1 1 76 76 GLY C C . . 1.67054 . . . . . . . . . . . . . . 6187 4 stop_ save_ save_residual_dipolar_couplings_5 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode residual_dipolar_couplings_5 _RDC_list.Entry_ID 6187 _RDC_list.ID 5 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_cond_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 4 'MODIFIED HNCO' 1 $sample_1 isotropic 6187 5 7 'MODIFIED HNCO' 2 $sample_2 anisotropic 6187 5 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $NMRPIPE . . 6187 5 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 2DHNC'(i-1) . 1 1 10 10 LYS H H . . . 1 1 9 9 SER C C . . 0.1992 . . . . . . . . . . . . . . 6187 5 2 2DHNC'(i-1) . 1 1 11 11 MET H H . . . 1 1 10 10 LYS C C . . 2.7416 . . . . . . . . . . . . . . 6187 5 3 2DHNC'(i-1) . 1 1 12 12 ILE H H . . . 1 1 11 11 MET C C . . 0.8696 . . . . . . . . . . . . . . 6187 5 4 2DHNC'(i-1) . 1 1 13 13 LYS H H . . . 1 1 12 12 ILE C C . . -0.1268 . . . . . . . . . . . . . . 6187 5 5 2DHNC'(i-1) . 1 1 14 14 VAL H H . . . 1 1 13 13 LYS C C . . -0.1468 . . . . . . . . . . . . . . 6187 5 6 2DHNC'(i-1) . 1 1 15 15 LYS H H . . . 1 1 14 14 VAL C C . . -2.3232 . . . . . . . . . . . . . . 6187 5 7 2DHNC'(i-1) . 1 1 16 16 VAL H H . . . 1 1 15 15 LYS C C . . 0.2732 . . . . . . . . . . . . . . 6187 5 8 2DHNC'(i-1) . 1 1 17 17 ILE H H . . . 1 1 16 16 VAL C C . . -1.0308 . . . . . . . . . . . . . . 6187 5 9 2DHNC'(i-1) . 1 1 18 18 GLY H H . . . 1 1 17 17 ILE C C . . -0.2312 . . . . . . . . . . . . . . 6187 5 10 2DHNC'(i-1) . 1 1 19 19 ARG H H . . . 1 1 18 18 GLY C C . . -1.1212 . . . . . . . . . . . . . . 6187 5 11 2DHNC'(i-1) . 1 1 20 20 ASN H H . . . 1 1 19 19 ARG C C . . 1.4732 . . . . . . . . . . . . . . 6187 5 12 2DHNC'(i-1) . 1 1 21 21 ILE H H . . . 1 1 20 20 ASN C C . . 2.9356 . . . . . . . . . . . . . . 6187 5 13 2DHNC'(i-1) . 1 1 22 22 GLU H H . . . 1 1 21 21 ILE C C . . 0.5704 . . . . . . . . . . . . . . 6187 5 14 2DHNC'(i-1) . 1 1 23 23 LYS H H . . . 1 1 22 22 GLU C C . . -0.9484 . . . . . . . . . . . . . . 6187 5 15 2DHNC'(i-1) . 1 1 24 24 GLU H H . . . 1 1 23 23 LYS C C . . -1.9592 . . . . . . . . . . . . . . 6187 5 16 2DHNC'(i-1) . 1 1 25 25 ILE H H . . . 1 1 24 24 GLU C C . . -3.576 . . . . . . . . . . . . . . 6187 5 17 2DHNC'(i-1) . 1 1 26 26 GLU H H . . . 1 1 25 25 ILE C C . . 1.2832 . . . . . . . . . . . . . . 6187 5 18 2DHNC'(i-1) . 1 1 27 27 TRP H H . . . 1 1 26 26 GLU C C . . 0.2192 . . . . . . . . . . . . . . 6187 5 19 2DHNC'(i-1) . 1 1 28 28 ARG H H . . . 1 1 27 27 TRP C C . . -0.928 . . . . . . . . . . . . . . 6187 5 20 2DHNC'(i-1) . 1 1 29 29 GLU H H . . . 1 1 28 28 ARG C C . . -1.1812 . . . . . . . . . . . . . . 6187 5 21 2DHNC'(i-1) . 1 1 30 30 GLY H H . . . 1 1 29 29 GLU C C . . 0.798 . . . . . . . . . . . . . . 6187 5 22 2DHNC'(i-1) . 1 1 31 31 MET H H . . . 1 1 30 30 GLY C C . . -0.3292 . . . . . . . . . . . . . . 6187 5 23 2DHNC'(i-1) . 1 1 32 32 LYS H H . . . 1 1 31 31 MET C C . . -1.9988 . . . . . . . . . . . . . . 6187 5 24 2DHNC'(i-1) . 1 1 33 33 VAL H H . . . 1 1 32 32 LYS C C . . 2.082 . . . . . . . . . . . . . . 6187 5 25 2DHNC'(i-1) . 1 1 34 34 ARG H H . . . 1 1 33 33 VAL C C . . -0.5824 . . . . . . . . . . . . . . 6187 5 26 2DHNC'(i-1) . 1 1 35 35 ASP H H . . . 1 1 34 34 ARG C C . . -1.1992 . . . . . . . . . . . . . . 6187 5 27 2DHNC'(i-1) . 1 1 36 36 ILE H H . . . 1 1 35 35 ASP C C . . 0.046 . . . . . . . . . . . . . . 6187 5 28 2DHNC'(i-1) . 1 1 37 37 LEU H H . . . 1 1 36 36 ILE C C . . 0.384 . . . . . . . . . . . . . . 6187 5 29 2DHNC'(i-1) . 1 1 38 38 ARG H H . . . 1 1 37 37 LEU C C . . 0.1276 . . . . . . . . . . . . . . 6187 5 30 2DHNC'(i-1) . 1 1 39 39 ALA H H . . . 1 1 38 38 ARG C C . . 0.106 . . . . . . . . . . . . . . 6187 5 31 2DHNC'(i-1) . 1 1 40 40 VAL H H . . . 1 1 39 39 ALA C C . . -1.1148 . . . . . . . . . . . . . . 6187 5 32 2DHNC'(i-1) . 1 1 41 41 GLY H H . . . 1 1 40 40 VAL C C . . 1.0516 . . . . . . . . . . . . . . 6187 5 33 2DHNC'(i-1) . 1 1 42 42 PHE H H . . . 1 1 41 41 GLY C C . . 1.5568 . . . . . . . . . . . . . . 6187 5 34 2DHNC'(i-1) . 1 1 43 43 ASN H H . . . 1 1 42 42 PHE C C . . -1.9364 . . . . . . . . . . . . . . 6187 5 35 2DHNC'(i-1) . 1 1 44 44 THR H H . . . 1 1 43 43 ASN C C . . -0.114 . . . . . . . . . . . . . . 6187 5 36 2DHNC'(i-1) . 1 1 45 45 GLU H H . . . 1 1 44 44 THR C C . . 0.5996 . . . . . . . . . . . . . . 6187 5 37 2DHNC'(i-1) . 1 1 46 46 SER H H . . . 1 1 45 45 GLU C C . . -0.992 . . . . . . . . . . . . . . 6187 5 38 2DHNC'(i-1) . 1 1 47 47 ALA H H . . . 1 1 46 46 SER C C . . -0.2352 . . . . . . . . . . . . . . 6187 5 39 2DHNC'(i-1) . 1 1 48 48 ILE H H . . . 1 1 47 47 ALA C C . . 1.8772 . . . . . . . . . . . . . . 6187 5 40 2DHNC'(i-1) . 1 1 49 49 ALA H H . . . 1 1 48 48 ILE C C . . 0.8984 . . . . . . . . . . . . . . 6187 5 41 2DHNC'(i-1) . 1 1 50 50 LYS H H . . . 1 1 49 49 ALA C C . . 0.3528 . . . . . . . . . . . . . . 6187 5 42 2DHNC'(i-1) . 1 1 51 51 VAL H H . . . 1 1 50 50 LYS C C . . 0.2308 . . . . . . . . . . . . . . 6187 5 43 2DHNC'(i-1) . 1 1 52 52 ASN H H . . . 1 1 51 51 VAL C C . . -0.9092 . . . . . . . . . . . . . . 6187 5 44 2DHNC'(i-1) . 1 1 53 53 GLY H H . . . 1 1 52 52 ASN C C . . 0.0412 . . . . . . . . . . . . . . 6187 5 45 2DHNC'(i-1) . 1 1 54 54 LYS H H . . . 1 1 53 53 GLY C C . . 0.264 . . . . . . . . . . . . . . 6187 5 46 2DHNC'(i-1) . 1 1 55 55 VAL H H . . . 1 1 54 54 LYS C C . . -0.5548 . . . . . . . . . . . . . . 6187 5 47 2DHNC'(i-1) . 1 1 56 56 VAL H H . . . 1 1 55 55 VAL C C . . 0.138 . . . . . . . . . . . . . . 6187 5 48 2DHNC'(i-1) . 1 1 57 57 LEU H H . . . 1 1 56 56 VAL C C . . -0.37 . . . . . . . . . . . . . . 6187 5 49 2DHNC'(i-1) . 1 1 58 58 GLU H H . . . 1 1 57 57 LEU C C . . -0.2604 . . . . . . . . . . . . . . 6187 5 50 2DHNC'(i-1) . 1 1 59 59 ASP H H . . . 1 1 58 58 GLU C C . . 0.844 . . . . . . . . . . . . . . 6187 5 51 2DHNC'(i-1) . 1 1 60 60 ASP H H . . . 1 1 59 59 ASP C C . . 0.3956 . . . . . . . . . . . . . . 6187 5 52 2DHNC'(i-1) . 1 1 61 61 GLU H H . . . 1 1 60 60 ASP C C . . -0.6668 . . . . . . . . . . . . . . 6187 5 53 2DHNC'(i-1) . 1 1 62 62 VAL H H . . . 1 1 61 61 GLU C C . . 0.5328 . . . . . . . . . . . . . . 6187 5 54 2DHNC'(i-1) . 1 1 63 63 LYS H H . . . 1 1 62 62 VAL C C . . -2.0852 . . . . . . . . . . . . . . 6187 5 55 2DHNC'(i-1) . 1 1 64 64 ASP H H . . . 1 1 63 63 LYS C C . . -1.7712 . . . . . . . . . . . . . . 6187 5 56 2DHNC'(i-1) . 1 1 65 65 GLY H H . . . 1 1 64 64 ASP C C . . -1.006 . . . . . . . . . . . . . . 6187 5 57 2DHNC'(i-1) . 1 1 66 66 ASP H H . . . 1 1 65 65 GLY C C . . -0.02 . . . . . . . . . . . . . . 6187 5 58 2DHNC'(i-1) . 1 1 67 67 PHE H H . . . 1 1 66 66 ASP C C . . 0.386 . . . . . . . . . . . . . . 6187 5 59 2DHNC'(i-1) . 1 1 68 68 VAL H H . . . 1 1 67 67 PHE C C . . -2.3292 . . . . . . . . . . . . . . 6187 5 60 2DHNC'(i-1) . 1 1 69 69 GLU H H . . . 1 1 68 68 VAL C C . . -2.7272 . . . . . . . . . . . . . . 6187 5 61 2DHNC'(i-1) . 1 1 70 70 VAL H H . . . 1 1 69 69 GLU C C . . 1.2212 . . . . . . . . . . . . . . 6187 5 62 2DHNC'(i-1) . 1 1 71 71 ILE H H . . . 1 1 70 70 VAL C C . . -1.816 . . . . . . . . . . . . . . 6187 5 63 2DHNC'(i-1) . 1 1 73 73 VAL H H . . . 1 1 72 72 PRO C C . . 0.4344 . . . . . . . . . . . . . . 6187 5 64 2DHNC'(i-1) . 1 1 74 74 VAL H H . . . 1 1 73 73 VAL C C . . 0.4228 . . . . . . . . . . . . . . 6187 5 65 2DHNC'(i-1) . 1 1 75 75 SER H H . . . 1 1 74 74 VAL C C . . 0.048 . . . . . . . . . . . . . . 6187 5 66 2DHNC'(i-1) . 1 1 76 76 GLY H H . . . 1 1 75 75 SER C C . . 0.1484 . . . . . . . . . . . . . . 6187 5 67 2DHNC'(i-1) . 1 1 77 77 GLY H H . . . 1 1 76 76 GLY C C . . -0.0708 . . . . . . . . . . . . . . 6187 5 stop_ save_ save_residual_dipolar_couplings_6 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode residual_dipolar_couplings_6 _RDC_list.Entry_ID 6187 _RDC_list.ID 6 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_cond_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 3 'SOFT HNCA-E.COSY' 1 $sample_1 isotropic 6187 6 6 'SOFT HNCA-E.COSY' 2 $sample_2 anisotropic 6187 6 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $NMRPIPE . . 6187 6 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 4DHNHA(i-1) . 1 1 10 10 LYS H H . . . 1 1 9 9 SER HA H . . -0.4118 . . . . . . . . . . . . . . 6187 6 2 4DHNHA(i-1) . 1 1 11 11 MET H H . . . 1 1 10 10 LYS HA H . . -0.2512 . . . . . . . . . . . . . . 6187 6 3 4DHNHA(i-1) . 1 1 12 12 ILE H H . . . 1 1 11 11 MET HA H . . -0.7174 . . . . . . . . . . . . . . 6187 6 4 4DHNHA(i-1) . 1 1 13 13 LYS H H . . . 1 1 12 12 ILE HA H . . -0.225 . . . . . . . . . . . . . . 6187 6 5 4DHNHA(i-1) . 1 1 14 14 VAL H H . . . 1 1 13 13 LYS HA H . . -1.367 . . . . . . . . . . . . . . 6187 6 6 4DHNHA(i-1) . 1 1 15 15 LYS H H . . . 1 1 14 14 VAL HA H . . -0.2153 . . . . . . . . . . . . . . 6187 6 7 4DHNHA(i-1) . 1 1 16 16 VAL H H . . . 1 1 15 15 LYS HA H . . -0.8575 . . . . . . . . . . . . . . 6187 6 8 4DHNHA(i-1) . 1 1 17 17 ILE H H . . . 1 1 16 16 VAL HA H . . -0.363574 . . . . . . . . . . . . . . 6187 6 9 4DHNHA(i-1) . 1 1 18 18 GLY H H . . . 1 1 17 17 ILE HA H . . 0.0552 . . . . . . . . . . . . . . 6187 6 10 4DHNHA(i-1) . 1 1 19 19 ARG H H . . . 1 1 18 18 GLY HA H . . -3.898 . . . . . . . . . . . . . . 6187 6 11 4DHNHA(i-1) . 1 1 21 21 ILE H H . . . 1 1 20 20 ASN HA H . . 0.459 . . . . . . . . . . . . . . 6187 6 12 4DHNHA(i-1) . 1 1 22 22 GLU H H . . . 1 1 21 21 ILE HA H . . -0.8523 . . . . . . . . . . . . . . 6187 6 13 4DHNHA(i-1) . 1 1 23 23 LYS H H . . . 1 1 22 22 GLU HA H . . -0.2725 . . . . . . . . . . . . . . 6187 6 14 4DHNHA(i-1) . 1 1 24 24 GLU H H . . . 1 1 23 23 LYS HA H . . -0.2517 . . . . . . . . . . . . . . 6187 6 15 4DHNHA(i-1) . 1 1 25 25 ILE H H . . . 1 1 24 24 GLU HA H . . 0.15 . . . . . . . . . . . . . . 6187 6 16 4DHNHA(i-1) . 1 1 26 26 GLU H H . . . 1 1 25 25 ILE HA H . . -0.1986 . . . . . . . . . . . . . . 6187 6 17 4DHNHA(i-1) . 1 1 28 28 ARG H H . . . 1 1 27 27 TRP HA H . . 0.0148 . . . . . . . . . . . . . . 6187 6 18 4DHNHA(i-1) . 1 1 29 29 GLU H H . . . 1 1 28 28 ARG HA H . . 0.3463 . . . . . . . . . . . . . . 6187 6 19 4DHNHA(i-1) . 1 1 30 30 GLY H H . . . 1 1 29 29 GLU HA H . . -0.8527 . . . . . . . . . . . . . . 6187 6 20 4DHNHA(i-1) . 1 1 31 31 MET H H . . . 1 1 30 30 GLY HA H . . 2.609 . . . . . . . . . . . . . . 6187 6 21 4DHNHA(i-1) . 1 1 32 32 LYS H H . . . 1 1 31 31 MET HA H . . 0.4387 . . . . . . . . . . . . . . 6187 6 22 4DHNHA(i-1) . 1 1 33 33 VAL H H . . . 1 1 32 32 LYS HA H . . -0.0954 . . . . . . . . . . . . . . 6187 6 23 4DHNHA(i-1) . 1 1 34 34 ARG H H . . . 1 1 33 33 VAL HA H . . 0.0394 . . . . . . . . . . . . . . 6187 6 24 4DHNHA(i-1) . 1 1 35 35 ASP H H . . . 1 1 34 34 ARG HA H . . 0.1749 . . . . . . . . . . . . . . 6187 6 25 4DHNHA(i-1) . 1 1 36 36 ILE H H . . . 1 1 35 35 ASP HA H . . 0.0772 . . . . . . . . . . . . . . 6187 6 26 4DHNHA(i-1) . 1 1 37 37 LEU H H . . . 1 1 36 36 ILE HA H . . -0.4423 . . . . . . . . . . . . . . 6187 6 27 4DHNHA(i-1) . 1 1 38 38 ARG H H . . . 1 1 37 37 LEU HA H . . 0.1996 . . . . . . . . . . . . . . 6187 6 28 4DHNHA(i-1) . 1 1 39 39 ALA H H . . . 1 1 38 38 ARG HA H . . -0.1765 . . . . . . . . . . . . . . 6187 6 29 4DHNHA(i-1) . 1 1 40 40 VAL H H . . . 1 1 39 39 ALA HA H . . -0.3701 . . . . . . . . . . . . . . 6187 6 30 4DHNHA(i-1) . 1 1 41 41 GLY H H . . . 1 1 40 40 VAL HA H . . -0.0083 . . . . . . . . . . . . . . 6187 6 31 4DHNHA(i-1) . 1 1 42 42 PHE H H . . . 1 1 41 41 GLY HA H . . 2.048 . . . . . . . . . . . . . . 6187 6 32 4DHNHA(i-1) . 1 1 43 43 ASN H H . . . 1 1 42 42 PHE HA H . . 0.2042 . . . . . . . . . . . . . . 6187 6 33 4DHNHA(i-1) . 1 1 44 44 THR H H . . . 1 1 43 43 ASN HA H . . 0.0261 . . . . . . . . . . . . . . 6187 6 34 4DHNHA(i-1) . 1 1 45 45 GLU H H . . . 1 1 44 44 THR HA H . . -0.1793 . . . . . . . . . . . . . . 6187 6 35 4DHNHA(i-1) . 1 1 47 47 ALA H H . . . 1 1 46 46 SER HA H . . 0.3327 . . . . . . . . . . . . . . 6187 6 36 4DHNHA(i-1) . 1 1 48 48 ILE H H . . . 1 1 47 47 ALA HA H . . 0.1051 . . . . . . . . . . . . . . 6187 6 37 4DHNHA(i-1) . 1 1 49 49 ALA H H . . . 1 1 48 48 ILE HA H . . -0.7975 . . . . . . . . . . . . . . 6187 6 38 4DHNHA(i-1) . 1 1 50 50 LYS H H . . . 1 1 49 49 ALA HA H . . -0.0932 . . . . . . . . . . . . . . 6187 6 39 4DHNHA(i-1) . 1 1 51 51 VAL H H . . . 1 1 50 50 LYS HA H . . -1.0389 . . . . . . . . . . . . . . 6187 6 40 4DHNHA(i-1) . 1 1 52 52 ASN H H . . . 1 1 51 51 VAL HA H . . -0.3112 . . . . . . . . . . . . . . 6187 6 41 4DHNHA(i-1) . 1 1 53 53 GLY H H . . . 1 1 52 52 ASN HA H . . -0.4475 . . . . . . . . . . . . . . 6187 6 42 4DHNHA(i-1) . 1 1 54 54 LYS H H . . . 1 1 53 53 GLY HA H . . -0.179 . . . . . . . . . . . . . . 6187 6 43 4DHNHA(i-1) . 1 1 55 55 VAL H H . . . 1 1 54 54 LYS HA H . . -0.3173 . . . . . . . . . . . . . . 6187 6 44 4DHNHA(i-1) . 1 1 56 56 VAL H H . . . 1 1 55 55 VAL HA H . . 0.766 . . . . . . . . . . . . . . 6187 6 45 4DHNHA(i-1) . 1 1 57 57 LEU H H . . . 1 1 56 56 VAL HA H . . 0.3826 . . . . . . . . . . . . . . 6187 6 46 4DHNHA(i-1) . 1 1 58 58 GLU H H . . . 1 1 57 57 LEU HA H . . 0.6215 . . . . . . . . . . . . . . 6187 6 47 4DHNHA(i-1) . 1 1 59 59 ASP H H . . . 1 1 58 58 GLU HA H . . 0.0345 . . . . . . . . . . . . . . 6187 6 48 4DHNHA(i-1) . 1 1 60 60 ASP H H . . . 1 1 59 59 ASP HA H . . 0.0362 . . . . . . . . . . . . . . 6187 6 49 4DHNHA(i-1) . 1 1 61 61 GLU H H . . . 1 1 60 60 ASP HA H . . -0.7971 . . . . . . . . . . . . . . 6187 6 50 4DHNHA(i-1) . 1 1 62 62 VAL H H . . . 1 1 61 61 GLU HA H . . -0.1556 . . . . . . . . . . . . . . 6187 6 51 4DHNHA(i-1) . 1 1 63 63 LYS H H . . . 1 1 62 62 VAL HA H . . -0.7253 . . . . . . . . . . . . . . 6187 6 52 4DHNHA(i-1) . 1 1 65 65 GLY H H . . . 1 1 64 64 ASP HA H . . 0.2861 . . . . . . . . . . . . . . 6187 6 53 4DHNHA(i-1) . 1 1 66 66 ASP H H . . . 1 1 65 65 GLY HA H . . -3.475 . . . . . . . . . . . . . . 6187 6 54 4DHNHA(i-1) . 1 1 67 67 PHE H H . . . 1 1 66 66 ASP HA H . . -0.5501 . . . . . . . . . . . . . . 6187 6 55 4DHNHA(i-1) . 1 1 68 68 VAL H H . . . 1 1 67 67 PHE HA H . . -0.7739 . . . . . . . . . . . . . . 6187 6 56 4DHNHA(i-1) . 1 1 69 69 GLU H H . . . 1 1 68 68 VAL HA H . . -0.4725 . . . . . . . . . . . . . . 6187 6 57 4DHNHA(i-1) . 1 1 70 70 VAL H H . . . 1 1 69 69 GLU HA H . . -0.3896 . . . . . . . . . . . . . . 6187 6 58 4DHNHA(i-1) . 1 1 71 71 ILE H H . . . 1 1 70 70 VAL HA H . . -1.1169 . . . . . . . . . . . . . . 6187 6 59 4DHNHA(i-1) . 1 1 74 74 VAL H H . . . 1 1 73 73 VAL HA H . . -0.4986 . . . . . . . . . . . . . . 6187 6 60 4DHNHA(i-1) . 1 1 75 75 SER H H . . . 1 1 74 74 VAL HA H . . -0.2466 . . . . . . . . . . . . . . 6187 6 61 4DHNHA(i-1) . 1 1 76 76 GLY H H . . . 1 1 75 75 SER HA H . . -0.3387 . . . . . . . . . . . . . . 6187 6 62 4DHNHA(i-1) . 1 1 77 77 GLY H H . . . 1 1 76 76 GLY HA H . . -1.329 . . . . . . . . . . . . . . 6187 6 stop_ save_ ############################ # Homonuclear NOE values # ############################ save_homonucl_NOEs _Homonucl_NOE_list.Sf_category homonucl_NOEs _Homonucl_NOE_list.Sf_framecode homonucl_NOEs _Homonucl_NOE_list.Entry_ID 6187 _Homonucl_NOE_list.ID 1 _Homonucl_NOE_list.Sample_condition_list_ID 1 _Homonucl_NOE_list.Sample_condition_list_label $sample_cond_1 _Homonucl_NOE_list.Homonuclear_NOE_val_type 'not reported' _Homonucl_NOE_list.NOE_ref_val . _Homonucl_NOE_list.NOE_ref_description . _Homonucl_NOE_list.Details . _Homonucl_NOE_list.Text_data_format . _Homonucl_NOE_list.Text_data . loop_ _Homonucl_NOE_experiment.Experiment_ID _Homonucl_NOE_experiment.Experiment_name _Homonucl_NOE_experiment.Sample_ID _Homonucl_NOE_experiment.Sample_label _Homonucl_NOE_experiment.Sample_state _Homonucl_NOE_experiment.Entry_ID _Homonucl_NOE_experiment.Homonucl_NOE_list_ID 1 '3D 15N-SEPARATED NOESY' 4 $sample_4 isotropic 6187 1 stop_ loop_ _Homonucl_NOE_software.Software_ID _Homonucl_NOE_software.Software_label _Homonucl_NOE_software.Method_ID _Homonucl_NOE_software.Method_label _Homonucl_NOE_software.Entry_ID _Homonucl_NOE_software.Homonucl_NOE_list_ID 2 $NMRPIPE . . 6187 1 stop_ loop_ _Homonucl_NOE.ID _Homonucl_NOE.Assembly_atom_ID_1 _Homonucl_NOE.Entity_assembly_ID_1 _Homonucl_NOE.Entity_ID_1 _Homonucl_NOE.Comp_index_ID_1 _Homonucl_NOE.Seq_ID_1 _Homonucl_NOE.Comp_ID_1 _Homonucl_NOE.Atom_ID_1 _Homonucl_NOE.Atom_type_1 _Homonucl_NOE.Atom_isotope_number_1 _Homonucl_NOE.Assembly_atom_ID_2 _Homonucl_NOE.Entity_assembly_ID_2 _Homonucl_NOE.Entity_ID_2 _Homonucl_NOE.Comp_index_ID_2 _Homonucl_NOE.Seq_ID_2 _Homonucl_NOE.Comp_ID_2 _Homonucl_NOE.Atom_ID_2 _Homonucl_NOE.Atom_type_2 _Homonucl_NOE.Atom_isotope_number_2 _Homonucl_NOE.Val _Homonucl_NOE.Val_min _Homonucl_NOE.Val_max _Homonucl_NOE.Val_err _Homonucl_NOE.Resonance_ID_1 _Homonucl_NOE.Resonance_ID_2 _Homonucl_NOE.Auth_entity_assembly_ID_1 _Homonucl_NOE.Auth_seq_ID_1 _Homonucl_NOE.Auth_comp_ID_1 _Homonucl_NOE.Auth_atom_ID_1 _Homonucl_NOE.Auth_entity_assembly_ID_2 _Homonucl_NOE.Auth_seq_ID_2 _Homonucl_NOE.Auth_comp_ID_2 _Homonucl_NOE.Auth_atom_ID_2 _Homonucl_NOE.Entry_ID _Homonucl_NOE.Homonucl_NOE_list_ID 1 . 1 1 52 52 ASN H H 1 . 1 1 51 51 VAL HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 2 . 1 1 53 53 GLY H H 1 . 1 1 52 52 ASN HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 3 . 1 1 68 68 VAL H H 1 . 1 1 67 67 PHE HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 4 . 1 1 71 71 ILE H H 1 . 1 1 70 70 VAL HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 5 . 1 1 12 12 ILE H H 1 . 1 1 11 11 MET HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 6 . 1 1 32 32 LYS H H 1 . 1 1 31 31 MET HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 7 . 1 1 49 49 ALA H H 1 . 1 1 48 48 ILE HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 8 . 1 1 70 70 VAL H H 1 . 1 1 69 69 GLU HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 9 . 1 1 14 14 VAL H H 1 . 1 1 13 13 LYS HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 10 . 1 1 33 33 VAL H H 1 . 1 1 32 32 LYS HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 11 . 1 1 13 13 LYS H H 1 . 1 1 67 67 PHE HA H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 12 . 1 1 13 13 LYS H H 1 . 1 1 12 12 ILE HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 13 . 1 1 47 47 ALA H H 1 . 1 1 46 46 SER HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 14 . 1 1 56 56 VAL H H 1 . 1 1 55 55 VAL HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 15 . 1 1 56 56 VAL H H 1 . 1 1 50 50 LYS HA H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 16 . 1 1 67 67 PHE H H 1 . 1 1 66 66 ASP HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 17 . 1 1 61 61 GLU H H 1 . 1 1 32 32 LYS HA H 1 . 3.2 5.0 0.2 . . . . . . . . . . 6187 1 18 . 1 1 11 11 MET H H 1 . 1 1 10 10 LYS HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 19 . 1 1 42 42 PHE H H 1 . 1 1 39 39 ALA HA H 1 . 3.2 5.0 0.2 . . . . . . . . . . 6187 1 20 . 1 1 42 42 PHE H H 1 . 1 1 41 41 GLY HA1 H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 21 . 1 1 42 42 PHE H H 1 . 1 1 41 41 GLY HA2 H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 22 . 1 1 50 50 LYS H H 1 . 1 1 49 49 ALA HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 23 . 1 1 48 48 ILE H H 1 . 1 1 47 47 ALA HA H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 24 . 1 1 34 34 ARG H H 1 . 1 1 33 33 VAL HA H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 25 . 1 1 34 34 ARG H H 1 . 1 1 59 59 ASP HA H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 26 . 1 1 30 30 GLY H H 1 . 1 1 29 29 GLU HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 27 . 1 1 44 44 THR H H 1 . 1 1 43 43 ASN HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 28 . 1 1 65 65 GLY H H 1 . 1 1 64 64 ASP HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 29 . 1 1 46 46 SER H H 1 . 1 1 45 45 GLU HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 30 . 1 1 59 59 ASP H H 1 . 1 1 58 58 GLU HA H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 31 . 1 1 62 62 VAL H H 1 . 1 1 61 61 GLU HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 32 . 1 1 36 36 ILE H H 1 . 1 1 35 35 ASP HA H 1 . 3.2 5.0 0.2 . . . . . . . . . . 6187 1 33 . 1 1 31 31 MET H H 1 . 1 1 30 30 GLY HA2 H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 34 . 1 1 39 39 ALA H H 1 . 1 1 36 36 ILE HA H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 35 . 1 1 54 54 LYS H H 1 . 1 1 53 53 GLY HA1 H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 36 . 1 1 54 54 LYS H H 1 . 1 1 53 53 GLY HA2 H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 37 . 1 1 66 66 ASP H H 1 . 1 1 65 65 GLY HA1 H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 38 . 1 1 66 66 ASP H H 1 . 1 1 65 65 GLY HA2 H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 39 . 1 1 66 66 ASP H H 1 . 1 1 64 64 ASP HA H 1 . 3.2 5.0 0.2 . . . . . . . . . . 6187 1 40 . 1 1 29 29 GLU H H 1 . 1 1 28 28 ARG HA H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 41 . 1 1 35 35 ASP H H 1 . 1 1 32 32 LYS HA H 1 . 3.2 5.0 0.2 . . . . . . . . . . 6187 1 42 . 1 1 38 38 ARG H H 1 . 1 1 37 37 LEU HA H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 43 . 1 1 38 38 ARG H H 1 . 1 1 35 35 ASP HA H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 44 . 1 1 19 19 ARG H H 1 . 1 1 18 18 GLY HA1 H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 45 . 1 1 19 19 ARG H H 1 . 1 1 18 18 GLY HA2 H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 46 . 1 1 21 21 ILE H H 1 . 1 1 20 20 ASN HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 47 . 1 1 40 40 VAL H H 1 . 1 1 39 39 ALA HA H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 48 . 1 1 41 41 GLY H H 1 . 1 1 38 38 ARG HA H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 49 . 1 1 41 41 GLY H H 1 . 1 1 40 40 VAL HA H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 50 . 1 1 74 74 VAL H H 1 . 1 1 73 73 VAL HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 51 . 1 1 75 75 SER H H 1 . 1 1 74 74 VAL HA H 1 . 0.9 2.7 0.2 . . . . . . . . . . 6187 1 52 . 1 1 76 76 GLY H H 1 . 1 1 75 75 SER HA H 1 . 1.5 3.3 0.2 . . . . . . . . . . 6187 1 53 . 1 1 52 52 ASN H H 1 . 1 1 51 51 VAL H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 54 . 1 1 52 52 ASN H H 1 . 1 1 67 67 PHE H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 55 . 1 1 52 52 ASN H H 1 . 1 1 53 53 GLY H H 1 . 1.5 3.3 0.4 . . . . . . . . . . 6187 1 56 . 1 1 53 53 GLY H H 1 . 1 1 54 54 LYS H H 1 . 1.5 3.3 0.4 . . . . . . . . . . 6187 1 57 . 1 1 63 63 LYS H H 1 . 1 1 62 62 VAL H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 58 . 1 1 63 63 LYS H H 1 . 1 1 64 64 ASP H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 59 . 1 1 12 12 ILE H H 1 . 1 1 13 13 LYS H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 60 . 1 1 32 32 LYS H H 1 . 1 1 31 31 MET H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 61 . 1 1 10 10 LYS H H 1 . 1 1 11 11 MET H H 1 . 0.9 2.7 0.4 . . . . . . . . . . 6187 1 62 . 1 1 70 70 VAL H H 1 . 1 1 15 15 LYS H H 1 . 1.5 3.3 0.4 . . . . . . . . . . 6187 1 63 . 1 1 14 14 VAL H H 1 . 1 1 15 15 LYS H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 64 . 1 1 14 14 VAL H H 1 . 1 1 13 13 LYS H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 65 . 1 1 33 33 VAL H H 1 . 1 1 62 62 VAL H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 66 . 1 1 55 55 VAL H H 1 . 1 1 54 54 LYS H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 67 . 1 1 56 56 VAL H H 1 . 1 1 49 49 ALA H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 68 . 1 1 56 56 VAL H H 1 . 1 1 51 51 VAL H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 69 . 1 1 61 61 GLU H H 1 . 1 1 62 62 VAL H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 70 . 1 1 61 61 GLU H H 1 . 1 1 60 60 ASP H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 71 . 1 1 42 42 PHE H H 1 . 1 1 43 43 ASN H H 1 . 1.5 3.3 0.4 . . . . . . . . . . 6187 1 72 . 1 1 42 42 PHE H H 1 . 1 1 40 40 VAL H H 1 . 1.5 3.3 0.4 . . . . . . . . . . 6187 1 73 . 1 1 42 42 PHE H H 1 . 1 1 41 41 GLY H H 1 . 0.9 2.7 0.4 . . . . . . . . . . 6187 1 74 . 1 1 45 45 GLU H H 1 . 1 1 46 46 SER H H 1 . 0.9 2.7 0.4 . . . . . . . . . . 6187 1 75 . 1 1 20 20 ASN H H 1 . 1 1 19 19 ARG H H 1 . 0.9 2.7 0.4 . . . . . . . . . . 6187 1 76 . 1 1 20 20 ASN H H 1 . 1 1 21 21 ILE H H 1 . 1.5 3.3 0.4 . . . . . . . . . . 6187 1 77 . 1 1 34 34 ARG H H 1 . 1 1 35 35 ASP H H 1 . 0.9 2.7 0.4 . . . . . . . . . . 6187 1 78 . 1 1 18 18 GLY H H 1 . 1 1 19 19 ARG H H 1 . 0.9 2.7 0.4 . . . . . . . . . . 6187 1 79 . 1 1 30 30 GLY H H 1 . 1 1 31 31 MET H H 1 . 0.9 2.7 0.4 . . . . . . . . . . 6187 1 80 . 1 1 58 58 GLU H H 1 . 1 1 59 59 ASP H H 1 . 1.5 3.3 0.4 . . . . . . . . . . 6187 1 81 . 1 1 44 44 THR H H 1 . 1 1 43 43 ASN H H 1 . 1.5 3.3 0.4 . . . . . . . . . . 6187 1 82 . 1 1 65 65 GLY H H 1 . 1 1 64 64 ASP H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 83 . 1 1 36 36 ILE H H 1 . 1 1 37 37 LEU H H 1 . 0.9 2.7 0.4 . . . . . . . . . . 6187 1 84 . 1 1 39 39 ALA H H 1 . 1 1 40 40 VAL H H 1 . 0.9 2.7 0.4 . . . . . . . . . . 6187 1 85 . 1 1 54 54 LYS H H 1 . 1 1 52 52 ASN H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 86 . 1 1 66 66 ASP H H 1 . 1 1 13 13 LYS H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 87 . 1 1 66 66 ASP H H 1 . 1 1 63 63 LYS H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 88 . 1 1 29 29 GLU H H 1 . 1 1 28 28 ARG H H 1 . 3.2 5.0 0.4 . . . . . . . . . . 6187 1 89 . 1 1 51 51 VAL H H 1 . 1 1 54 54 LYS H H 1 . 1.5 3.3 0.4 . . . . . . . . . . 6187 1 stop_ save_