data_16422 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16422 _Entry.Title ; Solution Structure and Dynamics of the N-terminal Cystosolic Domain of Rhomboid Intramembrane Protease from Pseudomonas aeruginosa: Insights into a Functional Role in Intramembrane Proteolysis ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2009-07-23 _Entry.Accession_date 2009-07-23 _Entry.Last_release_date 2010-03-08 _Entry.Original_release_date 2010-03-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Armando 'Del Rio' . . . 16422 2 Kaushik Dutta . . . 16422 3 Jose Chavez . . . 16422 4 Iban Ubarretxena-Belandia . . . 16422 5 Ranajeet Ghose . . . 16422 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID binding_constants 1 16422 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'binding constants' 8 16422 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-03-08 2009-07-23 original author . 16422 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16422 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17059825 _Citation.Full_citation . _Citation.Title 'Solution Structure and Dynamics of the N-terminal Cystosolic Domain of Rhomboid Intramembrane Protease from Pseudomonas aeruginosa: Insights into a Functional Role in Intramembrane Proteolysis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 365 _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 109 _Citation.Page_last 122 _Citation.Year 2007 _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 Armando 'Del Rio' . . . 16422 1 2 Kaushik Dutta . . . 16422 1 3 Jose Chavez . . . 16422 1 4 Iban Ubarretxena-Belandia . . . 16422 1 5 Ranajeet Ghose . . . 16422 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16422 _Assembly.ID 1 _Assembly.Name 'C16PN/NRho complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 NRho 1 $NRho A . yes native no no . . . 16422 1 2 C16PN 2 $C16PN B . yes native no no . . . 16422 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NRho _Entity.Sf_category entity _Entity.Sf_framecode NRho _Entity.Entry_ID 16422 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NRho _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 ; MSAVQVLKFPLSVDLAGFVG LLRRLNVPHRVSEESGQQVL WVPDERLAEQVRELYRRYPE GDPQATLEAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label $chem_comp_C16PN _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 'Rhomboid Intramembrane Protease' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2GQC . "Solution Structure Of The N-Terminal Domain Of Rhomboid Intramembrane Protease From P. Aeruginosa" . . . . . 100.00 70 100.00 100.00 4.18e-41 . . . . 16422 1 2 no DBJ BAK91039 . "hypothetical protein NCGM2_4205 [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 100.00 286 100.00 100.00 3.24e-39 . . . . 16422 1 3 no DBJ BAP22307 . "hypothetical protein NCGM1900_3216 [Pseudomonas aeruginosa]" . . . . . 100.00 286 100.00 100.00 3.24e-39 . . . . 16422 1 4 no DBJ BAP49934 . "hypothetical protein NCGM1984_1953 [Pseudomonas aeruginosa]" . . . . . 100.00 286 100.00 100.00 3.24e-39 . . . . 16422 1 5 no DBJ BAQ38821 . "hypothetical protein PA257_2215 [Pseudomonas aeruginosa]" . . . . . 100.00 286 100.00 100.00 3.24e-39 . . . . 16422 1 6 no DBJ BAR66878 . "GlpG protein [Pseudomonas aeruginosa]" . . . . . 100.00 286 100.00 100.00 3.68e-39 . . . . 16422 1 7 no EMBL CAW26702 . "hypothetical [Pseudomonas aeruginosa LESB58]" . . . . . 100.00 286 100.00 100.00 3.45e-39 . . . . 16422 1 8 no EMBL CCQ87103 . "GlpG protein (membrane protein of glp regulon) [Pseudomonas aeruginosa 18A]" . . . . . 100.00 286 100.00 100.00 3.68e-39 . . . . 16422 1 9 no EMBL CDH70226 . "hypothetical protein P38_1942 [Pseudomonas aeruginosa MH38]" . . . . . 100.00 286 100.00 100.00 3.68e-39 . . . . 16422 1 10 no EMBL CDH76316 . "hypothetical protein PAMH27_1910 [Pseudomonas aeruginosa MH27]" . . . . . 100.00 286 100.00 100.00 3.24e-39 . . . . 16422 1 11 no EMBL CDI91489 . "rhomboid-like protein [Pseudomonas aeruginosa PA38182]" . . . . . 100.00 286 100.00 100.00 3.68e-39 . . . . 16422 1 12 no GB AAG06474 . "hypothetical protein PA3086 [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 286 100.00 100.00 3.68e-39 . . . . 16422 1 13 no GB ABJ12318 . "hypothetical protein PA14_24240 [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 100.00 286 100.00 100.00 2.65e-39 . . . . 16422 1 14 no GB ABR81084 . "membrane protein, putative [Pseudomonas aeruginosa PA7]" . . . . . 100.00 286 100.00 100.00 2.62e-39 . . . . 16422 1 15 no GB AEO74363 . "hypothetical protein PAM18_1877 [Pseudomonas aeruginosa M18]" . . . . . 100.00 286 100.00 100.00 3.68e-39 . . . . 16422 1 16 no GB AFM64074 . "rhomboid family protein [Pseudomonas aeruginosa DK2]" . . . . . 100.00 286 100.00 100.00 3.68e-39 . . . . 16422 1 17 no REF NP_251776 . "hypothetical protein PA3086 [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 286 100.00 100.00 3.68e-39 . . . . 16422 1 18 no REF WP_003091333 . "MULTISPECIES: rhomboid family intramembrane serine protease [Pseudomonas]" . . . . . 100.00 286 100.00 100.00 3.24e-39 . . . . 16422 1 19 no REF WP_003104987 . "MULTISPECIES: rhomboid family intramembrane serine protease [Pseudomonas]" . . . . . 100.00 286 100.00 100.00 3.68e-39 . . . . 16422 1 20 no REF WP_003110073 . "rhomboid family intramembrane serine protease [Pseudomonas aeruginosa]" . . . . . 100.00 286 98.57 98.57 1.10e-38 . . . . 16422 1 21 no REF WP_003138531 . "rhomboid family intramembrane serine protease [Pseudomonas aeruginosa]" . . . . . 100.00 286 100.00 100.00 2.65e-39 . . . . 16422 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16422 1 2 . SER . 16422 1 3 . ALA . 16422 1 4 . VAL . 16422 1 5 . GLN . 16422 1 6 . VAL . 16422 1 7 . LEU . 16422 1 8 . LYS . 16422 1 9 . PHE . 16422 1 10 . PRO . 16422 1 11 . LEU . 16422 1 12 . SER . 16422 1 13 . VAL . 16422 1 14 . ASP . 16422 1 15 . LEU . 16422 1 16 . ALA . 16422 1 17 . GLY . 16422 1 18 . PHE . 16422 1 19 . VAL . 16422 1 20 . GLY . 16422 1 21 . LEU . 16422 1 22 . LEU . 16422 1 23 . ARG . 16422 1 24 . ARG . 16422 1 25 . LEU . 16422 1 26 . ASN . 16422 1 27 . VAL . 16422 1 28 . PRO . 16422 1 29 . HIS . 16422 1 30 . ARG . 16422 1 31 . VAL . 16422 1 32 . SER . 16422 1 33 . GLU . 16422 1 34 . GLU . 16422 1 35 . SER . 16422 1 36 . GLY . 16422 1 37 . GLN . 16422 1 38 . GLN . 16422 1 39 . VAL . 16422 1 40 . LEU . 16422 1 41 . TRP . 16422 1 42 . VAL . 16422 1 43 . PRO . 16422 1 44 . ASP . 16422 1 45 . GLU . 16422 1 46 . ARG . 16422 1 47 . LEU . 16422 1 48 . ALA . 16422 1 49 . GLU . 16422 1 50 . GLN . 16422 1 51 . VAL . 16422 1 52 . ARG . 16422 1 53 . GLU . 16422 1 54 . LEU . 16422 1 55 . TYR . 16422 1 56 . ARG . 16422 1 57 . ARG . 16422 1 58 . TYR . 16422 1 59 . PRO . 16422 1 60 . GLU . 16422 1 61 . GLY . 16422 1 62 . ASP . 16422 1 63 . PRO . 16422 1 64 . GLN . 16422 1 65 . ALA . 16422 1 66 . THR . 16422 1 67 . LEU . 16422 1 68 . GLU . 16422 1 69 . ALA . 16422 1 70 . ALA . 16422 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16422 1 . SER 2 2 16422 1 . ALA 3 3 16422 1 . VAL 4 4 16422 1 . GLN 5 5 16422 1 . VAL 6 6 16422 1 . LEU 7 7 16422 1 . LYS 8 8 16422 1 . PHE 9 9 16422 1 . PRO 10 10 16422 1 . LEU 11 11 16422 1 . SER 12 12 16422 1 . VAL 13 13 16422 1 . ASP 14 14 16422 1 . LEU 15 15 16422 1 . ALA 16 16 16422 1 . GLY 17 17 16422 1 . PHE 18 18 16422 1 . VAL 19 19 16422 1 . GLY 20 20 16422 1 . LEU 21 21 16422 1 . LEU 22 22 16422 1 . ARG 23 23 16422 1 . ARG 24 24 16422 1 . LEU 25 25 16422 1 . ASN 26 26 16422 1 . VAL 27 27 16422 1 . PRO 28 28 16422 1 . HIS 29 29 16422 1 . ARG 30 30 16422 1 . VAL 31 31 16422 1 . SER 32 32 16422 1 . GLU 33 33 16422 1 . GLU 34 34 16422 1 . SER 35 35 16422 1 . GLY 36 36 16422 1 . GLN 37 37 16422 1 . GLN 38 38 16422 1 . VAL 39 39 16422 1 . LEU 40 40 16422 1 . TRP 41 41 16422 1 . VAL 42 42 16422 1 . PRO 43 43 16422 1 . ASP 44 44 16422 1 . GLU 45 45 16422 1 . ARG 46 46 16422 1 . LEU 47 47 16422 1 . ALA 48 48 16422 1 . GLU 49 49 16422 1 . GLN 50 50 16422 1 . VAL 51 51 16422 1 . ARG 52 52 16422 1 . GLU 53 53 16422 1 . LEU 54 54 16422 1 . TYR 55 55 16422 1 . ARG 56 56 16422 1 . ARG 57 57 16422 1 . TYR 58 58 16422 1 . PRO 59 59 16422 1 . GLU 60 60 16422 1 . GLY 61 61 16422 1 . ASP 62 62 16422 1 . PRO 63 63 16422 1 . GLN 64 64 16422 1 . ALA 65 65 16422 1 . THR 66 66 16422 1 . LEU 67 67 16422 1 . GLU 68 68 16422 1 . ALA 69 69 16422 1 . ALA 70 70 16422 1 stop_ save_ save_C16PN _Entity.Sf_category entity _Entity.Sf_framecode C16PN _Entity.Entry_ID 16422 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name C16PN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label $chem_comp_C16PN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 16422 _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 $NRho . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 16422 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 16422 _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 $NRho . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli B12 D3 . . . . . . . . . . . . . . pET15b . . . . . . 16422 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_C16PN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_C16PN _Chem_comp.Entry_ID 16422 _Chem_comp.ID . _Chem_comp.Provenance . _Chem_comp.Name C16PN _Chem_comp.Type . _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula C16PN _Chem_comp.Formula_weight 407.568 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details n-hexadecylphosphocholine _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16422 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system H2O _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 NRho [U-15N] . . 1 $NRho . . 1 . . mM . . . . 16422 1 2 C16PN 'natural abundance' . . 2 $C16PN . . 20 . . mM . . . . 16422 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16422 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16422 1 5 H2O 'natural abundance' . . . . . . 100 . . % . . . . 16422 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16422 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system H2O _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 NRho [U-15N] . . 1 $NRho . . 0.8 . . mM . . . . 16422 2 2 C16PN 'natural abundance' . . 2 $C16PN . . 20 . . mM . . . . 16422 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16422 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16422 2 5 H2O 'natural abundance' . . . . . . 100 . . % . . . . 16422 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16422 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system H2O _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 NRho [U-15N] . . 1 $NRho . . 0.6 . . mM . . . . 16422 3 2 C16PN 'natural abundance' . . 2 $C16PN . . 20 . . mM . . . . 16422 3 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16422 3 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16422 3 5 H2O 'natural abundance' . . . . . . 100 . . % . . . . 16422 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16422 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system H2O _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 NRho [U-15N] . . 1 $NRho . . 0.5 . . mM . . . . 16422 4 2 C16PN 'natural abundance' . . 2 $C16PN . . 20 . . mM . . . . 16422 4 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16422 4 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16422 4 5 H2O 'natural abundance' . . . . . . 100 . . % . . . . 16422 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 16422 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system H2O _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 NRho [U-15N] . . 1 $NRho . . 0.4 . . mM . . . . 16422 5 2 C16PN 'natural abundance' . . 2 $C16PN . . 20 . . mM . . . . 16422 5 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16422 5 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16422 5 5 H2O 'natural abundance' . . . . . . 100 . . % . . . . 16422 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 16422 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system H2O _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 NRho [U-15N] . . 1 $NRho . . 0.3 . . mM . . . . 16422 6 2 C16PN 'natural abundance' . . 2 $C16PN . . 20 . . mM . . . . 16422 6 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16422 6 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16422 6 5 H2O 'natural abundance' . . . . . . 100 . . % . . . . 16422 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 16422 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system H2O _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 NRho [U-15N] . . 1 $NRho . . 0.2 . . mM . . . . 16422 7 2 C16PN 'natural abundance' . . 2 $C16PN . . 20 . . mM . . . . 16422 7 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16422 7 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16422 7 5 H2O 'natural abundance' . . . . . . 100 . . % . . . . 16422 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 16422 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system H2O _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 NRho [U-15N] . . 1 $NRho . . 0.1 . . mM . . . . 16422 8 2 C16PN 'natural abundance' . . 2 $C16PN . . 20 . . mM . . . . 16422 8 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16422 8 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16422 8 5 H2O 'natural abundance' . . . . . . 100 . . % . . . . 16422 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 16422 _Sample.ID 9 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system H2O _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 NRho [U-15N] . . 1 $NRho . . 1 . . mM . . . . 16422 9 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16422 9 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16422 9 4 H2O 'natural abundance' . . . . . . 100 . . % . . . . 16422 9 stop_ save_ save_sample_10 _Sample.Sf_category sample _Sample.Sf_framecode sample_10 _Sample.Entry_ID 16422 _Sample.ID 10 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system H2O _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 C16PN 'natural abundance' . . 2 $C16PN . . 20 . . mM . . . . 16422 10 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16422 10 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16422 10 4 H2O 'natural abundance' . . . . . . 100 . . % . . . . 16422 10 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16422 _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 temperature 298 . K 16422 1 pH 5.5 . pH 16422 1 pressure 1 . atm 16422 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16422 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16422 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16422 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16422 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16422 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16422 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16422 _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16422 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16422 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16422 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16422 1 2 spectrometer_2 Bruker Avance . 700 'equipped with cryoprobe' . . 16422 1 3 spectrometer_3 Bruker Avance . 800 'equipped with cryoprobe' . . 16422 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 16422 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16422 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16422 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16422 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16422 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16422 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16422 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16422 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16422 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 9 $sample_9 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16422 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 10 $sample_10 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16422 1 stop_ save_ save_binding_data _Binding_value_list.Sf_category binding_data _Binding_value_list.Sf_framecode binding_data _Binding_value_list.Entry_ID 16422 _Binding_value_list.ID 1 _Binding_value_list.Sample_condition_list_ID 1 _Binding_value_list.Sample_condition_list_label $sample_conditions_1 _Binding_value_list.Details . _Binding_value_list.Text_data_format . _Binding_value_list.Text_data . loop_ _Binding_experiment.Experiment_ID _Binding_experiment.Experiment_name _Binding_experiment.Sample_ID _Binding_experiment.Sample_label _Binding_experiment.Sample_state _Binding_experiment.Entry_ID _Binding_experiment.Binding_value_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 16422 1 2 '2D 1H-15N HSQC' 2 $sample_2 isotropic 16422 1 3 '2D 1H-15N HSQC' 3 $sample_3 isotropic 16422 1 4 '2D 1H-15N HSQC' 4 $sample_4 isotropic 16422 1 5 '2D 1H-15N HSQC' 5 $sample_5 isotropic 16422 1 6 '2D 1H-15N HSQC' 6 $sample_6 isotropic 16422 1 7 '2D 1H-15N HSQC' 7 $sample_7 isotropic 16422 1 8 '2D 1H-15N HSQC' 8 $sample_8 isotropic 16422 1 9 '2D 1H-15N HSQC' 9 $sample_9 isotropic 16422 1 10 '2D 1H-15N HSQC' 10 $sample_10 isotropic 16422 1 stop_ loop_ _Binding_software.Software_ID _Binding_software.Software_label _Binding_software.Method_ID _Binding_software.Method_label _Binding_software.Entry_ID _Binding_software.Binding_value_list_ID 1 $NMRView . . 16422 1 2 $NMRPipe . . 16422 1 stop_ loop_ _Binding_result.ID _Binding_result.Experiment_ID _Binding_result.Assembly_ID _Binding_result.Atm_obs_assembly_atom_ID _Binding_result.Atm_obs_entity_assembly_ID _Binding_result.Atm_obs_entity_ID _Binding_result.Atm_obs_comp_index_ID _Binding_result.Atm_obs_seq_ID _Binding_result.Atm_obs_comp_ID _Binding_result.Atm_obs_atom_ID _Binding_result.Atm_obs_atom_type _Binding_result.Atm_obs_atom_isotope_number _Binding_result.Resonance_ID _Binding_result.Atm_obs_auth_entity_assembly_ID _Binding_result.Atm_obs_auth_seq_ID _Binding_result.Atm_obs_auth_comp_ID _Binding_result.Atm_obs_auth_atom_ID _Binding_result.Expt_observed_param _Binding_result.Val_type _Binding_result.Val _Binding_result.Val_err _Binding_result.Val_units _Binding_result.Entry_ID _Binding_result.Binding_value_list_ID 1 1 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 8.02 1.48 uM 16422 1 2 2 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 8.02 1.48 uM 16422 1 3 3 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 8.02 1.48 uM 16422 1 4 4 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 8.02 1.48 uM 16422 1 5 5 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 8.02 1.48 uM 16422 1 6 6 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 8.02 1.48 uM 16422 1 7 7 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 8.02 1.48 uM 16422 1 8 8 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kd 8.02 1.48 uM 16422 1 stop_ loop_ _Binding_partners.Binding_result_ID _Binding_partners.Assembly_ID _Binding_partners.Entity_assembly_ID _Binding_partners.Entity_assembly_name _Binding_partners.Entity_ID _Binding_partners.Entity_label _Binding_partners.Entry_ID _Binding_partners.Binding_value_list_ID 1 1 1 NRho 1 $NRho 16422 1 1 1 2 C16PN 2 $C16PN 16422 1 2 1 1 NRho 1 $NRho 16422 1 2 1 2 C16PN 2 $C16PN 16422 1 3 1 1 NRho 1 $NRho 16422 1 3 1 2 C16PN 2 $C16PN 16422 1 4 1 1 NRho 1 $NRho 16422 1 4 1 2 C16PN 2 $C16PN 16422 1 5 1 1 NRho 1 $NRho 16422 1 5 1 2 C16PN 2 $C16PN 16422 1 6 1 1 NRho 1 $NRho 16422 1 6 1 2 C16PN 2 $C16PN 16422 1 7 1 1 NRho 1 $NRho 16422 1 7 1 2 C16PN 2 $C16PN 16422 1 8 1 1 NRho 1 $NRho 16422 1 8 1 2 C16PN 2 $C16PN 16422 1 stop_ save_