data_26507 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26507 _Entry.Title ; Whole-Body Rocking Motion of a Fusion Peptide in Lipid Bilayers from Size-Dispersed 15N NMR Relaxation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-11 _Entry.Accession_date 2015-02-11 _Entry.Last_release_date 2015-02-13 _Entry.Original_release_date 2015-02-13 _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Justin Lorieau . L. . 26507 2 John Louis . M. . 26507 3 Ad Bax . . . 26507 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health' . 26507 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 3 26507 heteronucl_T1_relaxation 14 26507 heteronucl_T2_relaxation 14 26507 order_parameters 10 26507 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'heteronuclear NOE values' 63 26507 'T1 relaxation values' 174 26507 'T2 relaxation values' 174 26507 'order parameters' 150 26507 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 . . 2015-02-13 2015-02-11 original author . 26507 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26507 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21848255 _Citation.Full_citation . _Citation.Title ; Whole-Body Rocking Motion of a Fusion Peptide in Lipid Bilayers from Size-Dispersed 15N NMR Relaxation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 133 _Citation.Journal_issue 36 _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 14184 _Citation.Page_last 14187 _Citation.Year 2011 _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 Justin Lorieau . L. . 26507 1 2 John Louis . M. . 26507 1 3 Ad Bax . . . 26507 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26507 _Assembly.ID 1 _Assembly.Name 'emagglutinin fusion peptide' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 HAfp23 1 $HAfp23 A . yes native no no . . . 26507 1 2 DMPC 2 $entity_PX4 B . yes native no no . . . 26507 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HAfp23 _Entity.Sf_category entity _Entity.Sf_framecode HAfp23 _Entity.Entry_ID 26507 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HAfp23 _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 ; GLFGAIAGFIEGGWTGMIDG WYGSGKKKKD ; _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 . _Entity.Number_of_monomers 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16907 . HAfp . . . . . 100.00 30 100.00 100.00 5.29e-10 . . . . 26507 1 2 no PDB 1RD8 . "Crystal Sructure Of The 1918 Human H1 Hemagglutinin Precursor (Ha0)" . . . . . 76.67 182 100.00 100.00 2.33e-07 . . . . 26507 1 3 no PDB 1RU7 . "1934 Human H1 Hemagglutinin" . . . . . 76.67 160 100.00 100.00 1.81e-06 . . . . 26507 1 4 no PDB 1RVX . "1934 H1 Hemagglutinin In Complex With Lsta" . . . . . 76.67 160 100.00 100.00 1.81e-06 . . . . 26507 1 5 no PDB 1RVZ . "1934 H1 Hemagglutinin In Complex With Lstc" . . . . . 76.67 160 100.00 100.00 1.81e-06 . . . . 26507 1 6 no PDB 2KXA . "The Hemagglutinin Fusion Peptide (H1 Subtype) At Ph 7.4" . . . . . 100.00 30 100.00 100.00 5.29e-10 . . . . 26507 1 7 no PDB 2WRG . "Structure Of H1 1918 Hemagglutinin With Human Receptor" . . . . . 76.67 222 100.00 100.00 2.74e-07 . . . . 26507 1 8 no PDB 2WRH . "Structure Of H1 Duck Albert Hemagglutinin With Human Receptor" . . . . . 76.67 222 100.00 100.00 2.47e-07 . . . . 26507 1 9 no PDB 3GBN . "Crystal Structure Of Fab Cr6261 In Complex With The 1918 H1n1 Influenza Virus Hemagglutinin" . . . . . 76.67 179 100.00 100.00 1.78e-06 . . . . 26507 1 10 no PDB 3LZF . "Crystal Structure Of Fab 2d1 In Complex With The 1918 Influenza Virus Hemagglutinin" . . . . . 76.67 179 100.00 100.00 1.78e-06 . . . . 26507 1 11 no PDB 3R2X . "Crystal Structure Of The De Novo Designed Binding Protein Hb36.3 In Complex The The 1918 Influenza Virus Hemagglutinin" . . . . . 76.67 179 100.00 100.00 1.78e-06 . . . . 26507 1 12 no PDB 4EEF . "Crystal Structure Of The Designed Inhibitor Protein F-Hb80.4 In Complex With The 1918 Influenza Virus Hemagglutinin." . . . . . 76.67 179 100.00 100.00 1.78e-06 . . . . 26507 1 13 no PDB 4F3Z . "Crystal Structure Of A Swine H1n2 Influenza Virus Hemagglutinin" . . . . . 76.67 179 100.00 100.00 2.07e-06 . . . . 26507 1 14 no PDB 4GXU . "Crystal Structure Of Antibody 1f1 Bound To The 1918 Influenza Hemagglutinin" . . . . . 76.67 176 100.00 100.00 1.73e-06 . . . . 26507 1 15 no PDB 4GXX . 'Crystal Structure Of The "avianized" 1918 Influenza Virus Hemagglutinin' . . . . . 76.67 176 100.00 100.00 1.73e-06 . . . . 26507 1 16 no PDB 4JUG . "Crystal Structure Of 1918 Pandemic Influenza Virus Hemagglutinin Mutant D225g" . . . . . 76.67 170 100.00 100.00 4.06e-07 . . . . 26507 1 17 no PDB 4JUH . "Crystal Structure Of 1918 Pandemic Influenza Virus Hemagglutinin Mutant D225g Complexed With Avian Receptor Analogue Lsta" . . . . . 76.67 170 100.00 100.00 4.06e-07 . . . . 26507 1 18 no PDB 4JUJ . "Crystal Structure Of 1918 Pandemic Influenza Virus Hemagglutinin Mutnat D225g Complexed With Human Receptor Analogue Lstc" . . . . . 76.67 170 100.00 100.00 4.06e-07 . . . . 26507 1 19 no PDB 4PY8 . "Crystal Structure Of Fab 3.1 In Complex With The 1918 Influenza Virus Hemagglutinin" . . . . . 76.67 179 100.00 100.00 1.78e-06 . . . . 26507 1 20 no PDB 5BNY . "Crystal Structure Of Hemagglutinin Of A/chicken/guangdong/s1311/2010 (h6n6)" . . . . . 76.67 191 100.00 100.00 1.88e-07 . . . . 26507 1 21 no PDB 5BQY . "Crystal Structure Of Hemagglutinin Of A/chicken/guangdong/s1311/2010 (h6n6) In Complex With Avian-like Receptor Lsta" . . . . . 76.67 191 100.00 100.00 1.88e-07 . . . . 26507 1 22 no PDB 5BQZ . "Crystal Structure Of Hemagglutinin Of A/chicken/guangdong/s1311/2010 (h6n6) In Complex With Human-like Receptor Lstc" . . . . . 76.67 191 100.00 100.00 1.88e-07 . . . . 26507 1 23 no DBJ BAA00718 . "polyprotein precursor [Influenza A virus (A/swine/Cambridge/1939(H1N1))]" . . . . . 76.67 565 100.00 100.00 4.70e-08 . . . . 26507 1 24 no DBJ BAA00722 . "polyprotein precursor, partial [Influenza A virus (A/Yamagata/120/1986(H1N1))]" . . . . . 76.67 385 100.00 100.00 2.51e-07 . . . . 26507 1 25 no DBJ BAA01280 . "haemagglutinin [Influenza A virus (A/mallard/Alberta/35/1976(H1N1))]" . . . . . 76.67 566 100.00 100.00 1.67e-07 . . . . 26507 1 26 no DBJ BAA02765 . "hemagglutinin [Influenza A virus (A/Bangkok/10/83(H1N1))], partial [Influenza A virus (A/Bangkok/10/1983(H1N1))]" . . . . . 73.33 141 100.00 100.00 1.63e-06 . . . . 26507 1 27 no DBJ BAA02766 . "hemagglutinin, partial [Influenza A virus (A/Yamagata/120/1986(H1N1))]" . . . . . 76.67 141 100.00 100.00 5.03e-07 . . . . 26507 1 28 no EMBL CAA24272 . "haemagglutinin [Influenza A virus (A/Puerto Rico/8/1934(H1N1))]" . . . . . 76.67 566 100.00 100.00 8.75e-08 . . . . 26507 1 29 no EMBL CAA35094 . "haemagglutinin precursor [Influenza A virus (A/CHR/157/83(H1N1))]" . . . . . 76.67 566 100.00 100.00 1.05e-07 . . . . 26507 1 30 no EMBL CAA42444 . "polyprotein, partial [Influenza A virus (A/NIB/4/1988(H1N1))]" . . . . . 53.33 354 100.00 100.00 1.31e-01 . . . . 26507 1 31 no EMBL CAA82950 . "hemagglutinin precursor [Influenza A virus (A/swine/Germany/2/1981(H1N1))]" . . . . . 76.67 566 100.00 100.00 1.19e-07 . . . . 26507 1 32 no EMBL CAA86560 . "hemagglutinin precursor [Influenza A virus (A/swine/Germany/8533/1991(H1N1))]" . . . . . 76.67 566 100.00 100.00 1.25e-07 . . . . 26507 1 33 no GB AAA16879 . "hemagglutinin [Influenza A virus (A/duck/WI/1938/80 (H1N1))]" . . . . . 76.67 566 100.00 100.00 1.19e-07 . . . . 26507 1 34 no GB AAA16880 . "hemagglutinin [Influenza A virus (A/duck/WI/259/80(H1N1))]" . . . . . 76.67 566 100.00 100.00 1.10e-07 . . . . 26507 1 35 no GB AAA19934 . "hemagglutinin [Influenza A virus (A/swine/St-Hyacinthe/106/1991(H1))]" . . . . . 76.67 566 100.00 100.00 6.11e-08 . . . . 26507 1 36 no GB AAA43171 . "hemagglutinin [Influenza A virus (A/Leningrad/1954/1(H1N1))]" . . . . . 76.67 566 100.00 100.00 9.73e-08 . . . . 26507 1 37 no GB AAA43172 . "hemagglutinin [Influenza A virus (A/Kiev/59/1979(H1N1))]" . . . . . 76.67 566 100.00 100.00 1.10e-07 . . . . 26507 1 38 no PIR HMIV . "hemagglutinin precursor - influenza A virus (strain A/PR/8/ 34) [Influenza A virus]" . . . . . 76.67 566 100.00 100.00 8.75e-08 . . . . 26507 1 39 no PIR HMIV17 . "hemagglutinin precursor - influenza A virus (strain A/Swine/ Indiana/1726/88 [H1N1]) [Influenza A virus]" . . . . . 76.67 566 100.00 100.00 7.64e-08 . . . . 26507 1 40 no PIR HMIV5 . "hemagglutinin precursor - influenza A virus (strain A/WSN/33 [H0N1]) [Influenza A virus]" . . . . . 76.67 565 100.00 100.00 9.26e-08 . . . . 26507 1 41 no PIR HMIVN1 . "hemagglutinin precursor - influenza A virus (strain A/swine/ NJ/11/76[H1N1]) [Influenza A virus]" . . . . . 76.67 566 100.00 100.00 7.64e-08 . . . . 26507 1 42 no PIR HMIVSA . "hemagglutinin precursor - influenza A virus (strain A/ shearwater/Australia/1/72 [H6N5]) [Influenza A virus]" . . . . . 76.67 566 100.00 100.00 2.72e-07 . . . . 26507 1 43 no PRF 0707273A . "hemagglutinin [Influenza A virus]" . . . . . 76.67 566 100.00 100.00 8.75e-08 . . . . 26507 1 44 no REF NP_040980 . "haemagglutinin [Influenza A virus (A/Puerto Rico/8/1934(H1N1))]" . . . . . 76.67 566 100.00 100.00 8.75e-08 . . . . 26507 1 45 no REF YP_163736 . "HA2 [Influenza A virus (A/Puerto Rico/8/1934(H1N1))]" . . . . . 76.67 222 100.00 100.00 2.94e-06 . . . . 26507 1 46 no SP A3DRP0 . "RecName: Full=Hemagglutinin; Contains: RecName: Full=Hemagglutinin HA1 chain; Contains: RecName: Full=Hemagglutinin HA2 chain; " . . . . . 76.67 566 100.00 100.00 1.19e-07 . . . . 26507 1 47 no SP A4GBX7 . "RecName: Full=Hemagglutinin; Contains: RecName: Full=Hemagglutinin HA1 chain; Contains: RecName: Full=Hemagglutinin HA2 chain; " . . . . . 76.67 566 100.00 100.00 1.16e-07 . . . . 26507 1 48 no SP A4GCH5 . "RecName: Full=Hemagglutinin; Contains: RecName: Full=Hemagglutinin HA1 chain; Contains: RecName: Full=Hemagglutinin HA2 chain; " . . . . . 76.67 566 100.00 100.00 1.09e-07 . . . . 26507 1 49 no SP A4GCI6 . "RecName: Full=Hemagglutinin; Contains: RecName: Full=Hemagglutinin HA1 chain; Contains: RecName: Full=Hemagglutinin HA2 chain; " . . . . . 76.67 566 100.00 100.00 1.19e-07 . . . . 26507 1 50 no SP A4GCJ7 . "RecName: Full=Hemagglutinin; Contains: RecName: Full=Hemagglutinin HA1 chain; Contains: RecName: Full=Hemagglutinin HA2 chain; " . . . . . 76.67 566 100.00 100.00 8.92e-08 . . . . 26507 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 1 GLY . 26507 1 2 2 LEU . 26507 1 3 3 PHE . 26507 1 4 4 GLY . 26507 1 5 5 ALA . 26507 1 6 6 ILE . 26507 1 7 7 ALA . 26507 1 8 8 GLY . 26507 1 9 9 PHE . 26507 1 10 10 ILE . 26507 1 11 11 GLU . 26507 1 12 12 GLY . 26507 1 13 13 GLY . 26507 1 14 14 TRP . 26507 1 15 15 THR . 26507 1 16 16 GLY . 26507 1 17 17 MET . 26507 1 18 18 ILE . 26507 1 19 19 ASP . 26507 1 20 20 GLY . 26507 1 21 21 TRP . 26507 1 22 22 TYR . 26507 1 23 23 GLY . 26507 1 24 24 SER . 26507 1 25 25 GLY . 26507 1 26 26 LYS . 26507 1 27 27 LYS . 26507 1 28 28 LYS . 26507 1 29 29 LYS . 26507 1 30 30 ASP . 26507 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26507 1 . LEU 2 2 26507 1 . PHE 3 3 26507 1 . GLY 4 4 26507 1 . ALA 5 5 26507 1 . ILE 6 6 26507 1 . ALA 7 7 26507 1 . GLY 8 8 26507 1 . PHE 9 9 26507 1 . ILE 10 10 26507 1 . GLU 11 11 26507 1 . GLY 12 12 26507 1 . GLY 13 13 26507 1 . TRP 14 14 26507 1 . THR 15 15 26507 1 . GLY 16 16 26507 1 . MET 17 17 26507 1 . ILE 18 18 26507 1 . ASP 19 19 26507 1 . GLY 20 20 26507 1 . TRP 21 21 26507 1 . TYR 22 22 26507 1 . GLY 23 23 26507 1 . SER 24 24 26507 1 . GLY 25 25 26507 1 . LYS 26 26 26507 1 . LYS 27 27 26507 1 . LYS 28 28 26507 1 . LYS 29 29 26507 1 . ASP 30 30 26507 1 stop_ save_ save_entity_PX4 _Entity.Sf_category entity _Entity.Sf_framecode entity_PX4 _Entity.Entry_ID 26507 _Entity.ID 2 _Entity.BMRB_code PX4 _Entity.Name 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID PX4 _Entity.Nonpolymer_comp_label $chem_comp_PX4 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 678.940 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE BMRB 26507 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE BMRB 26507 2 PX4 'Three letter code' 26507 2 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 1 PX4 $chem_comp_PX4 26507 2 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 26507 _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 $HAfp23 . . virus . Influenza . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26507 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 26507 _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 $HAfp23 . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26507 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PX4 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PX4 _Chem_comp.Entry_ID 26507 _Chem_comp.ID PX4 _Chem_comp.Provenance PDB _Chem_comp.Name 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PX4 _Chem_comp.PDB_code PX4 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PX4 _Chem_comp.Number_atoms_all 119 _Chem_comp.Number_atoms_nh 46 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1 _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 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C36 H73 N O8 P' _Chem_comp.Formula_weight 678.940 _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 no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1TAO _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC SMILES 'OpenEye OEToolkits' 1.5.0 26507 PX4 CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26507 PX4 CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC SMILES_CANONICAL CACTVS 3.341 26507 PX4 CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC SMILES CACTVS 3.341 26507 PX4 CITHEXJVPOWHKC-UUWRZZSWSA-O InChIKey InChI 1.03 26507 PX4 InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1 InChI InChI 1.03 26507 PX4 O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCC SMILES ACDLabs 10.04 26507 PX4 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 2-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26507 PX4 '(4R,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide' 'SYSTEMATIC NAME' ACDLabs 10.04 26507 PX4 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 12.207 . 28.266 . 11.718 . 1.073 -5.182 0.334 1 . 26507 PX4 O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 11.963 . 29.913 . 9.768 . -0.993 -4.490 -0.940 2 . 26507 PX4 P1 P1 P1 P1 . P . . R 0 . . . 1 no no . . . . 11.818 . 28.555 . 10.326 . 0.287 -3.982 -0.398 3 . 26507 PX4 O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . 10.294 . 28.140 . 10.121 . 1.189 -3.406 -1.601 4 . 26507 PX4 C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 9.763 . 27.966 . 8.816 . 1.316 -4.456 -2.562 5 . 26507 PX4 C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 10.043 . 29.184 . 7.887 . 2.166 -3.971 -3.738 6 . 26507 PX4 N1 N1 N1 N1 . N . . N 1 . . . 1 no no . . . . 9.308 . 29.224 . 6.566 . 3.543 -3.735 -3.283 7 . 26507 PX4 C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 8.318 . 28.112 . 6.460 . 4.058 -4.949 -2.634 8 . 26507 PX4 C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 10.311 . 29.072 . 5.469 . 4.389 -3.399 -4.435 9 . 26507 PX4 C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 8.609 . 30.532 . 6.382 . 3.558 -2.623 -2.323 10 . 26507 PX4 O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 12.581 . 27.534 . 9.356 . -0.007 -2.807 0.663 11 . 26507 PX4 C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 12.259 . 26.154 . 9.320 . -0.902 -3.346 1.638 12 . 26507 PX4 C7 C7 C7 C7 . C . . R 0 . . . 1 no no . . . . 12.606 . 25.452 . 7.983 . -1.224 -2.274 2.681 13 . 26507 PX4 C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . 12.261 . 26.334 . 6.770 . 0.077 -1.737 3.279 14 . 26507 PX4 O5 O5 O5 O5 . O . . N 0 . . . 1 no no . . . . 13.327 . 27.199 . 6.419 . 0.942 -1.265 2.212 15 . 26507 PX4 C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 14.024 . 28.114 . 5.704 . 2.146 -0.747 2.503 16 . 26507 PX4 O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 14.620 . 27.875 . 6.779 . 2.510 -0.675 3.653 17 . 26507 PX4 C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 14.608 . 29.148 . 4.739 . 3.043 -0.257 1.396 18 . 26507 PX4 C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 16.133 . 29.010 . 4.561 . 4.344 0.280 1.994 19 . 26507 PX4 C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . 16.875 . 30.293 . 4.123 . 5.255 0.777 0.870 20 . 26507 PX4 C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . 17.556 . 30.246 . 2.739 . 6.557 1.314 1.468 21 . 26507 PX4 C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . 17.813 . 31.635 . 2.120 . 7.468 1.812 0.344 22 . 26507 PX4 C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . 17.045 . 31.823 . 0.796 . 8.769 2.349 0.942 23 . 26507 PX4 C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . 16.415 . 33.220 . 0.625 . 9.680 2.846 -0.182 24 . 26507 PX4 C17 C17 C17 C17 . C . . N 0 . . . 1 no no . . . . 17.344 . 34.378 . 0.192 . 10.982 3.384 0.416 25 . 26507 PX4 C18 C18 C18 C18 . C . . N 0 . . . 1 no no . . . . 18.633 . 34.581 . 1.020 . 11.893 3.881 -0.709 26 . 26507 PX4 C19 C19 C19 C19 . C . . N 0 . . . 1 no no . . . . 18.816 . 36.003 . 1.597 . 13.194 4.418 -0.110 27 . 26507 PX4 C20 C20 C20 C20 . C . . N 0 . . . 1 no no . . . . 20.275 . 36.505 . 1.577 . 14.105 4.916 -1.235 28 . 26507 PX4 C21 C21 C21 C21 . C . . N 0 . . . 1 no no . . . . 20.835 . 36.851 . 2.973 . 15.407 5.453 -0.637 29 . 26507 PX4 C22 C22 C22 C22 . C . . N 0 . . . 1 no no . . . . 22.230 . 36.252 . 3.199 . 16.318 5.950 -1.761 30 . 26507 PX4 O7 O7 O7 O7 . O . . N 0 . . . 1 no no . . . . 13.970 . 25.051 . 7.945 . -1.952 -1.187 2.050 31 . 26507 PX4 C23 C23 C23 C23 . C . . N 0 . . . 1 no no . . . . 14.954 . 24.647 . 7.103 . -3.293 -1.219 1.997 32 . 26507 PX4 O8 O8 O8 O8 . O . . N 0 . . . 1 no no . . . . 15.364 . 25.009 . 8.229 . -3.894 -2.152 2.474 33 . 26507 PX4 C24 C24 C24 C24 . C . . N 0 . . . 1 no no . . . . 15.795 . 23.647 . 6.310 . -4.048 -0.091 1.342 34 . 26507 PX4 C25 C25 C25 C25 . C . . N 0 . . . 1 no no . . . . 15.395 . 23.576 . 4.826 . -5.550 -0.372 1.416 35 . 26507 PX4 C26 C26 C26 C26 . C . . N 0 . . . 1 no no . . . . 15.712 . 22.230 . 4.142 . -6.316 0.773 0.751 36 . 26507 PX4 C27 C27 C27 C27 . C . . N 0 . . . 1 no no . . . . 15.216 . 22.151 . 2.683 . -7.818 0.492 0.825 37 . 26507 PX4 C28 C28 C28 C28 . C . . N 0 . . . 1 no no . . . . 14.087 . 21.126 . 2.447 . -8.585 1.638 0.160 38 . 26507 PX4 C29 C29 C29 C29 . C . . N 0 . . . 1 no no . . . . 12.710 . 21.805 . 2.305 . -10.087 1.357 0.234 39 . 26507 PX4 C30 C30 C30 C30 . C . . N 0 . . . 1 no no . . . . 11.511 . 20.874 . 2.585 . -10.853 2.502 -0.431 40 . 26507 PX4 C31 C31 C31 C31 . C . . N 0 . . . 1 no no . . . . 11.847 . 19.432 . 3.036 . -12.355 2.221 -0.357 41 . 26507 PX4 C32 C32 C32 C32 . C . . N 0 . . . 1 no no . . . . 11.922 . 19.191 . 4.558 . -13.122 3.366 -1.022 42 . 26507 PX4 C33 C33 C33 C33 . C . . N 0 . . . 1 no no . . . . 12.755 . 20.235 . 5.331 . -14.624 3.085 -0.948 43 . 26507 PX4 C34 C34 C34 C34 . C . . N 0 . . . 1 no no . . . . 12.187 . 20.579 . 6.723 . -15.390 4.230 -1.612 44 . 26507 PX4 C35 C35 C35 C35 . C . . N 0 . . . 1 no no . . . . 11.625 . 22.010 . 6.843 . -16.892 3.949 -1.538 45 . 26507 PX4 C36 C36 C36 C36 . C . . N 0 . . . 1 no no . . . . 10.776 . 22.397 . 5.622 . -17.659 5.095 -2.203 46 . 26507 PX4 H1P H1P H1P H1P . H . . N 0 . . . 1 no no . . . . 12.113 . 27.391 . 12.077 . 1.899 -4.810 0.672 47 . 26507 PX4 H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . 8.690 . 27.776 . 8.854 . 1.796 -5.317 -2.097 48 . 26507 PX4 H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 10.243 . 27.089 . 8.384 . 0.327 -4.741 -2.921 49 . 26507 PX4 H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 11.118 . 29.209 . 7.697 . 2.167 -4.728 -4.522 50 . 26507 PX4 H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . 9.801 . 30.090 . 8.447 . 1.749 -3.043 -4.129 51 . 26507 PX4 H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 7.398 . 28.370 . 6.988 . 4.047 -5.774 -3.346 52 . 26507 PX4 H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 8.721 . 27.195 . 6.895 . 5.080 -4.774 -2.296 53 . 26507 PX4 H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . 8.074 . 27.913 . 5.414 . 3.430 -5.198 -1.779 54 . 26507 PX4 H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 9.931 . 29.503 . 4.541 . 5.410 -3.224 -4.097 55 . 26507 PX4 H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 10.528 . 28.016 . 5.295 . 4.378 -4.224 -5.147 56 . 26507 PX4 H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . 11.242 . 29.577 . 5.728 . 4.006 -2.499 -4.916 57 . 26507 PX4 H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . 8.557 . 31.077 . 7.325 . 3.096 -2.943 -1.389 58 . 26507 PX4 H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . 7.590 . 30.373 . 6.023 . 4.587 -2.320 -2.134 59 . 26507 PX4 H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . 9.141 . 31.148 . 5.653 . 3.001 -1.781 -2.734 60 . 26507 PX4 H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . 12.751 . 25.628 . 10.141 . -0.436 -4.201 2.127 61 . 26507 PX4 H15 H15 H15 H15 . H . . N 0 . . . 1 no no . . . . 11.186 . 26.074 . 9.490 . -1.823 -3.665 1.148 62 . 26507 PX4 H16 H16 H16 H16 . H . . N 0 . . . 1 no no . . . . 11.997 . 24.551 . 7.908 . -1.835 -2.709 3.472 63 . 26507 PX4 H17 H17 H17 H17 . H . . N 0 . . . 1 no no . . . . 11.381 . 26.935 . 7.000 . 0.580 -2.533 3.829 64 . 26507 PX4 H18 H18 H18 H18 . H . . N 0 . . . 1 no no . . . . 12.029 . 25.695 . 5.917 . -0.147 -0.913 3.957 65 . 26507 PX4 H19 H19 H19 H19 . H . . N 0 . . . 1 no no . . . . 14.136 . 28.985 . 3.769 . 2.540 0.538 0.846 66 . 26507 PX4 H20 H20 H20 H20 . H . . N 0 . . . 1 no no . . . . 14.346 . 30.156 . 5.062 . 3.267 -1.081 0.718 67 . 26507 PX4 H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . 16.328 . 28.220 . 3.834 . 4.847 -0.516 2.544 68 . 26507 PX4 H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . 16.557 . 28.673 . 5.508 . 4.120 1.104 2.671 69 . 26507 PX4 H23 H23 H23 H23 . H . . N 0 . . . 1 no no . . . . 16.171 . 31.124 . 4.118 . 4.752 1.573 0.320 70 . 26507 PX4 H24 H24 H24 H24 . H . . N 0 . . . 1 no no . . . . 17.635 . 30.525 . 4.872 . 5.479 -0.047 0.192 71 . 26507 PX4 H25 H25 H25 H25 . H . . N 0 . . . 1 no no . . . . 16.905 . 29.686 . 2.064 . 7.060 0.519 2.017 72 . 26507 PX4 H26 H26 H26 H26 . H . . N 0 . . . 1 no no . . . . 18.496 . 29.700 . 2.814 . 6.333 2.138 2.145 73 . 26507 PX4 H27 H27 H27 H27 . H . . N 0 . . . 1 no no . . . . 17.505 . 32.409 . 2.827 . 6.965 2.608 -0.206 74 . 26507 PX4 H28 H28 H28 H28 . H . . N 0 . . . 1 no no . . . . 18.879 . 31.746 . 1.933 . 7.692 0.988 -0.334 75 . 26507 PX4 H29 H29 H29 H29 . H . . N 0 . . . 1 no no . . . . 16.241 . 31.086 . 0.757 . 9.272 1.553 1.491 76 . 26507 PX4 H30 H30 H30 H30 . H . . N 0 . . . 1 no no . . . . 17.704 . 31.622 . -0.049 . 8.545 3.173 1.619 77 . 26507 PX4 H31 H31 H31 H31 . H . . N 0 . . . 1 no no . . . . 15.610 . 33.138 . -0.107 . 9.177 3.642 -0.732 78 . 26507 PX4 H32 H32 H32 H32 . H . . N 0 . . . 1 no no . . . . 15.953 . 33.500 . 1.573 . 9.904 2.023 -0.860 79 . 26507 PX4 H33 H33 H33 H33 . H . . N 0 . . . 1 no no . . . . 16.778 . 35.309 . 0.147 . 11.485 2.588 0.965 80 . 26507 PX4 H34 H34 H34 H34 . H . . N 0 . . . 1 no no . . . . 17.651 . 34.159 . -0.834 . 10.758 4.207 1.093 81 . 26507 PX4 H35 H35 H35 H35 . H . . N 0 . . . 1 no no . . . . 18.665 . 33.843 . 1.823 . 11.390 4.677 -1.258 82 . 26507 PX4 H36 H36 H36 H36 . H . . N 0 . . . 1 no no . . . . 19.480 . 34.384 . 0.360 . 12.117 3.057 -1.386 83 . 26507 PX4 H37 H37 H37 H37 . H . . N 0 . . . 1 no no . . . . 18.453 . 36.048 . 2.623 . 13.697 3.622 0.439 84 . 26507 PX4 H38 H38 H38 H38 . H . . N 0 . . . 1 no no . . . . 18.219 . 36.698 . 1.007 . 12.970 5.242 0.567 85 . 26507 PX4 H39 H39 H39 H39 . H . . N 0 . . . 1 no no . . . . 20.909 . 35.750 . 1.106 . 13.602 5.711 -1.784 86 . 26507 PX4 H40 H40 H40 H40 . H . . N 0 . . . 1 no no . . . . 20.310 . 37.403 . 0.958 . 14.329 4.092 -1.912 87 . 26507 PX4 H41 H41 H41 H41 . H . . N 0 . . . 1 no no . . . . 20.166 . 36.464 . 3.743 . 15.910 4.657 -0.087 88 . 26507 PX4 H42 H42 H42 H42 . H . . N 0 . . . 1 no no . . . . 20.898 . 37.933 . 3.080 . 15.183 6.277 0.041 89 . 26507 PX4 H43 H43 H43 H43 . H . . N 0 . . . 1 no no . . . . 22.433 . 35.481 . 2.455 . 17.245 6.333 -1.335 90 . 26507 PX4 H44 H44 H44 H44 . H . . N 0 . . . 1 no no . . . . 22.279 . 35.805 . 4.192 . 16.542 5.126 -2.438 91 . 26507 PX4 H45 H45 H45 H45 . H . . N 0 . . . 1 no no . . . . 22.991 . 37.032 . 3.126 . 15.815 6.746 -2.310 92 . 26507 PX4 H46 H46 H46 H46 . H . . N 0 . . . 1 no no . . . . 16.834 . 23.971 . 6.371 . -3.827 0.843 1.859 93 . 26507 PX4 H47 H47 H47 H47 . H . . N 0 . . . 1 no no . . . . 15.729 . 22.654 . 6.760 . -3.744 -0.009 0.298 94 . 26507 PX4 H48 H48 H48 H48 . H . . N 0 . . . 1 no no . . . . 15.930 . 24.369 . 4.303 . -5.771 -1.306 0.898 95 . 26507 PX4 H49 H49 H49 H49 . H . . N 0 . . . 1 no no . . . . 14.327 . 23.772 . 4.740 . -5.853 -0.454 2.460 96 . 26507 PX4 H50 H50 H50 H50 . H . . N 0 . . . 1 no no . . . . 16.792 . 22.057 . 4.167 . -6.095 1.707 1.268 97 . 26507 PX4 H51 H51 H51 H51 . H . . N 0 . . . 1 no no . . . . 15.231 . 21.424 . 4.697 . -6.013 0.856 -0.293 98 . 26507 PX4 H52 H52 H52 H52 . H . . N 0 . . . 1 no no . . . . 16.062 . 21.909 . 2.035 . -8.039 -0.441 0.308 99 . 26507 PX4 H53 H53 H53 H53 . H . . N 0 . . . 1 no no . . . . 14.852 . 23.141 . 2.397 . -8.121 0.410 1.869 100 . 26507 PX4 H54 H54 H54 H54 . H . . N 0 . . . 1 no no . . . . 14.299 . 20.568 . 1.534 . -8.364 2.571 0.678 101 . 26507 PX4 H55 H55 H55 H55 . H . . N 0 . . . 1 no no . . . . 14.057 . 20.425 . 3.284 . -8.281 1.720 -0.884 102 . 26507 PX4 H56 H56 H56 H56 . H . . N 0 . . . 1 no no . . . . 12.613 . 22.218 . 1.298 . -10.308 0.423 -0.283 103 . 26507 PX4 H57 H57 H57 H57 . H . . N 0 . . . 1 no no . . . . 12.659 . 22.640 . 3.005 . -10.390 1.274 1.278 104 . 26507 PX4 H58 H58 H58 H58 . H . . N 0 . . . 1 no no . . . . 10.890 . 21.334 . 3.358 . -10.632 3.435 0.087 105 . 26507 PX4 H59 H59 H59 H59 . H . . N 0 . . . 1 no no . . . . 10.902 . 20.823 . 1.683 . -10.550 2.584 -1.474 106 . 26507 PX4 H60 H60 H60 H60 . H . . N 0 . . . 1 no no . . . . 12.802 . 19.146 . 2.590 . -12.576 1.287 -0.874 107 . 26507 PX4 H61 H61 H61 H61 . H . . N 0 . . . 1 no no . . . . 11.093 . 18.759 . 2.624 . -12.659 2.138 0.687 108 . 26507 PX4 H62 H62 H62 H62 . H . . N 0 . . . 1 no no . . . . 10.911 . 19.172 . 4.962 . -12.901 4.300 -0.504 109 . 26507 PX4 H63 H63 H63 H63 . H . . N 0 . . . 1 no no . . . . 12.359 . 18.205 . 4.717 . -12.819 3.449 -2.065 110 . 26507 PX4 H64 H64 H64 H64 . H . . N 0 . . . 1 no no . . . . 12.786 . 21.161 . 4.753 . -14.845 2.152 -1.465 111 . 26507 PX4 H65 H65 H65 H65 . H . . N 0 . . . 1 no no . . . . 13.781 . 19.876 . 5.436 . -14.927 3.003 0.096 112 . 26507 PX4 H66 H66 H66 H66 . H . . N 0 . . . 1 no no . . . . 11.383 . 19.872 . 6.939 . -15.169 5.164 -1.095 113 . 26507 PX4 H67 H67 H67 H67 . H . . N 0 . . . 1 no no . . . . 12.968 . 20.431 . 7.471 . -15.087 4.313 -2.656 114 . 26507 PX4 H68 H68 H68 H68 . H . . N 0 . . . 1 no no . . . . 12.450 . 22.717 . 6.934 . -17.113 3.016 -2.056 115 . 26507 PX4 H69 H69 H69 H69 . H . . N 0 . . . 1 no no . . . . 11.002 . 22.087 . 7.735 . -17.196 3.867 -0.495 116 . 26507 PX4 H70 H70 H70 H70 . H . . N 0 . . . 1 no no . . . . 9.958 . 23.052 . 5.925 . -18.729 4.895 -2.150 117 . 26507 PX4 H71 H71 H71 H71 . H . . N 0 . . . 1 no no . . . . 10.354 . 21.498 . 5.171 . -17.438 6.028 -1.686 118 . 26507 PX4 H72 H72 H72 H72 . H . . N 0 . . . 1 no no . . . . 11.395 . 22.906 . 4.882 . -17.356 5.177 -3.247 119 . 26507 PX4 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O1 P1 no N 1 . 26507 PX4 2 . SING O1 H1P no N 2 . 26507 PX4 3 . DOUB O2 P1 no N 3 . 26507 PX4 4 . SING P1 O3 no N 4 . 26507 PX4 5 . SING P1 O4 no N 5 . 26507 PX4 6 . SING O3 C1 no N 6 . 26507 PX4 7 . SING C1 C2 no N 7 . 26507 PX4 8 . SING C1 H1 no N 8 . 26507 PX4 9 . SING C1 H2 no N 9 . 26507 PX4 10 . SING C2 N1 no N 10 . 26507 PX4 11 . SING C2 H3 no N 11 . 26507 PX4 12 . SING C2 H4 no N 12 . 26507 PX4 13 . SING N1 C3 no N 13 . 26507 PX4 14 . SING N1 C4 no N 14 . 26507 PX4 15 . SING N1 C5 no N 15 . 26507 PX4 16 . SING C3 H5 no N 16 . 26507 PX4 17 . SING C3 H6 no N 17 . 26507 PX4 18 . SING C3 H7 no N 18 . 26507 PX4 19 . SING C4 H8 no N 19 . 26507 PX4 20 . SING C4 H9 no N 20 . 26507 PX4 21 . SING C4 H10 no N 21 . 26507 PX4 22 . SING C5 H11 no N 22 . 26507 PX4 23 . SING C5 H12 no N 23 . 26507 PX4 24 . SING C5 H13 no N 24 . 26507 PX4 25 . SING O4 C6 no N 25 . 26507 PX4 26 . SING C6 C7 no N 26 . 26507 PX4 27 . SING C6 H14 no N 27 . 26507 PX4 28 . SING C6 H15 no N 28 . 26507 PX4 29 . SING C7 C8 no N 29 . 26507 PX4 30 . SING C7 O7 no N 30 . 26507 PX4 31 . SING C7 H16 no N 31 . 26507 PX4 32 . SING C8 O5 no N 32 . 26507 PX4 33 . SING C8 H17 no N 33 . 26507 PX4 34 . SING C8 H18 no N 34 . 26507 PX4 35 . SING O5 C9 no N 35 . 26507 PX4 36 . DOUB C9 O6 no N 36 . 26507 PX4 37 . SING C9 C10 no N 37 . 26507 PX4 38 . SING C10 C11 no N 38 . 26507 PX4 39 . SING C10 H19 no N 39 . 26507 PX4 40 . SING C10 H20 no N 40 . 26507 PX4 41 . SING C11 C12 no N 41 . 26507 PX4 42 . SING C11 H21 no N 42 . 26507 PX4 43 . SING C11 H22 no N 43 . 26507 PX4 44 . SING C12 C13 no N 44 . 26507 PX4 45 . SING C12 H23 no N 45 . 26507 PX4 46 . SING C12 H24 no N 46 . 26507 PX4 47 . SING C13 C14 no N 47 . 26507 PX4 48 . SING C13 H25 no N 48 . 26507 PX4 49 . SING C13 H26 no N 49 . 26507 PX4 50 . SING C14 C15 no N 50 . 26507 PX4 51 . SING C14 H27 no N 51 . 26507 PX4 52 . SING C14 H28 no N 52 . 26507 PX4 53 . SING C15 C16 no N 53 . 26507 PX4 54 . SING C15 H29 no N 54 . 26507 PX4 55 . SING C15 H30 no N 55 . 26507 PX4 56 . SING C16 C17 no N 56 . 26507 PX4 57 . SING C16 H31 no N 57 . 26507 PX4 58 . SING C16 H32 no N 58 . 26507 PX4 59 . SING C17 C18 no N 59 . 26507 PX4 60 . SING C17 H33 no N 60 . 26507 PX4 61 . SING C17 H34 no N 61 . 26507 PX4 62 . SING C18 C19 no N 62 . 26507 PX4 63 . SING C18 H35 no N 63 . 26507 PX4 64 . SING C18 H36 no N 64 . 26507 PX4 65 . SING C19 C20 no N 65 . 26507 PX4 66 . SING C19 H37 no N 66 . 26507 PX4 67 . SING C19 H38 no N 67 . 26507 PX4 68 . SING C20 C21 no N 68 . 26507 PX4 69 . SING C20 H39 no N 69 . 26507 PX4 70 . SING C20 H40 no N 70 . 26507 PX4 71 . SING C21 C22 no N 71 . 26507 PX4 72 . SING C21 H41 no N 72 . 26507 PX4 73 . SING C21 H42 no N 73 . 26507 PX4 74 . SING C22 H43 no N 74 . 26507 PX4 75 . SING C22 H44 no N 75 . 26507 PX4 76 . SING C22 H45 no N 76 . 26507 PX4 77 . SING O7 C23 no N 77 . 26507 PX4 78 . DOUB C23 O8 no N 78 . 26507 PX4 79 . SING C23 C24 no N 79 . 26507 PX4 80 . SING C24 C25 no N 80 . 26507 PX4 81 . SING C24 H46 no N 81 . 26507 PX4 82 . SING C24 H47 no N 82 . 26507 PX4 83 . SING C25 C26 no N 83 . 26507 PX4 84 . SING C25 H48 no N 84 . 26507 PX4 85 . SING C25 H49 no N 85 . 26507 PX4 86 . SING C26 C27 no N 86 . 26507 PX4 87 . SING C26 H50 no N 87 . 26507 PX4 88 . SING C26 H51 no N 88 . 26507 PX4 89 . SING C27 C28 no N 89 . 26507 PX4 90 . SING C27 H52 no N 90 . 26507 PX4 91 . SING C27 H53 no N 91 . 26507 PX4 92 . SING C28 C29 no N 92 . 26507 PX4 93 . SING C28 H54 no N 93 . 26507 PX4 94 . SING C28 H55 no N 94 . 26507 PX4 95 . SING C29 C30 no N 95 . 26507 PX4 96 . SING C29 H56 no N 96 . 26507 PX4 97 . SING C29 H57 no N 97 . 26507 PX4 98 . SING C30 C31 no N 98 . 26507 PX4 99 . SING C30 H58 no N 99 . 26507 PX4 100 . SING C30 H59 no N 100 . 26507 PX4 101 . SING C31 C32 no N 101 . 26507 PX4 102 . SING C31 H60 no N 102 . 26507 PX4 103 . SING C31 H61 no N 103 . 26507 PX4 104 . SING C32 C33 no N 104 . 26507 PX4 105 . SING C32 H62 no N 105 . 26507 PX4 106 . SING C32 H63 no N 106 . 26507 PX4 107 . SING C33 C34 no N 107 . 26507 PX4 108 . SING C33 H64 no N 108 . 26507 PX4 109 . SING C33 H65 no N 109 . 26507 PX4 110 . SING C34 C35 no N 110 . 26507 PX4 111 . SING C34 H66 no N 111 . 26507 PX4 112 . SING C34 H67 no N 112 . 26507 PX4 113 . SING C35 C36 no N 113 . 26507 PX4 114 . SING C35 H68 no N 114 . 26507 PX4 115 . SING C35 H69 no N 115 . 26507 PX4 116 . SING C36 H70 no N 116 . 26507 PX4 117 . SING C36 H71 no N 117 . 26507 PX4 118 . SING C36 H72 no N 118 . 26507 PX4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26507 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _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 HAfp23 '[U-100% 13C; U-100% 15N; U-100% 2H]' . . 1 $HAfp23 . . 30 . . uM . . . . 26507 1 2 DPC 'natural abundance' . . . . . . 3.8 . . mM . . . . 26507 1 3 DMSO 'natural abundance' . . . . . . . . . mM . . . . 26507 1 4 '2H-Tris buffer' 'natural abundance' . . . . . . . . . mM . . . . 26507 1 5 HEPES/MES 'natural abundance' . . . . . . 18 . . mM . . . . 26507 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 26507 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 26507 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26507 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details q=[DMPC]/[DHPC] _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _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 HAfp23 '[U-100% 13C; U-100% 15N; U-100% 2H]' . . 1 $HAfp23 . . 30 . . uM . . . . 26507 2 2 q=0.29 'natural abundance' . . 2 $entity_PX4 . . 3.8 . . mM . . . . 26507 2 3 DMSO 'natural abundance' . . . . . . . . . mM . . . . 26507 2 4 '2H-Tris buffer' 'natural abundance' . . . . . . . . . mM . . . . 26507 2 5 HEPES/MES 'natural abundance' . . . . . . 18 . . mM . . . . 26507 2 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 26507 2 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 26507 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 26507 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details q=[DMPC]/[DHPC] _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _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 HAfp23 '[U-100% 13C; U-100% 15N; U-100% 2H]' . . 1 $HAfp23 . . 30 . . uM . . . . 26507 3 2 q=0.52 'natural abundance' . . 2 $entity_PX4 . . 3.8 . . mM . . . . 26507 3 3 DMSO 'natural abundance' . . . . . . . . . mM . . . . 26507 3 4 '2H-Tris buffer' 'natural abundance' . . . . . . . . . mM . . . . 26507 3 5 HEPES/MES 'natural abundance' . . . . . . 18 . . mM . . . . 26507 3 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 26507 3 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 26507 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 26507 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details q=[DMPC]/[DHPC] _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _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 HAfp23 '[U-100% 13C; U-100% 15N; U-100% 2H]' . . 1 $HAfp23 . . 30 . . uM . . . . 26507 4 2 q=0.55 'natural abundance' . . 2 $entity_PX4 . . 3.8 . . mM . . . . 26507 4 3 DMSO 'natural abundance' . . . . . . . . . mM . . . . 26507 4 4 '2H-Tris buffer' 'natural abundance' . . . . . . . . . mM . . . . 26507 4 5 HEPES/MES 'natural abundance' . . . . . . 18 . . mM . . . . 26507 4 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 26507 4 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 26507 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 26507 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details q=[DMPC]/[DHPC] _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _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 HAfp23 '[U-100% 13C; U-100% 15N; U-100% 2H]' . . 1 $HAfp23 . . 30 . . uM . . . . 26507 5 2 q=0.69 'natural abundance' . . 2 $entity_PX4 . . 3.8 . . mM . . . . 26507 5 3 DMSO 'natural abundance' . . . . . . . . . mM . . . . 26507 5 4 '2H-Tris buffer' 'natural abundance' . . . . . . . . . mM . . . . 26507 5 5 HEPES/MES 'natural abundance' . . . . . . 18 . . mM . . . . 26507 5 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 26507 5 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 26507 5 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 26507 _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 7.3 . pH 26507 1 temperature 305 . K 26507 1 pressure 1 . atm 26507 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 26507 _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 temperature 305 . K 26507 2 pressure 1 . atm 26507 2 pH 7.1 . pH 26507 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 26507 _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 temperature 305 . K 26507 3 pressure 1 . atm 26507 3 pH 7.4 . pH 26507 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 26507 _Sample_condition_list.ID 4 _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 7.2 . pH 26507 4 temperature 305 . K 26507 4 pressure 1 . atm 26507 4 stop_ save_ save_sample_conditions_5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_5 _Sample_condition_list.Entry_ID 26507 _Sample_condition_list.ID 5 _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 305 . K 26507 5 pressure 1 . atm 26507 5 pH 6.5 . pH 26507 5 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26507 _Software.ID 1 _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' . . 26507 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26507 1 'data analysis' 26507 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 26507 _Software.ID 2 _Software.Name Sparky _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26507 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26507 2 processing 26507 2 stop_ save_ save_MINUIT _Software.Sf_category software _Software.Sf_framecode MINUIT _Software.Entry_ID 26507 _Software.ID 3 _Software.Name MINUIT _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CERN . . 26507 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26507 3 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 26507 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26507 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 26507 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 26507 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 26507 _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 Bruker 'Avance III' . 500 . . . 26507 1 2 spectrometer_2 Bruker DMX . 600 . . . 26507 1 3 spectrometer_3 Bruker 'Avance III' . 600 . . . 26507 1 4 spectrometer_4 Bruker 'Avance III' . 900 . . . 26507 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 26507 _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 '1H-15N HSQC 1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 26507 1 2 '1H-15N HSQC 2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 26507 1 3 '1H-15N HSQC 3' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 26507 1 4 '1H-15N HSQC 4' no . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 26507 1 5 '1H-15N HSQC 5' no . . . . . . . . . . 3 $sample_3 isotropic . . 4 $sample_conditions_4 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 26507 1 6 '1H-15N HSQC 6' no . . . . . . . . . . 4 $sample_4 isotropic . . 5 $sample_conditions_5 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 26507 1 7 '1H-15N HSQC 7' no . . . . . . . . . . 4 $sample_4 isotropic . . 5 $sample_conditions_5 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 26507 1 8 '1H-15N TROSY 1' no . . . . . . . . . . 5 $sample_5 isotropic . . 2 $sample_conditions_2 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 26507 1 9 '1H-15N HSQC 8' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26507 1 10 '1H-15N HSQC 9' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26507 1 11 '1H-15N HSQC 10' no . . . . . . . . . . 4 $sample_4 isotropic . . 5 $sample_conditions_5 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26507 1 12 '1H-15N HSQC 11' no . . . . . . . . . . 4 $sample_4 isotropic . . 5 $sample_conditions_5 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26507 1 13 '1H-15N TROSY 2' no . . . . . . . . . . 5 $sample_5 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26507 1 14 '1H-15N TROSY 3' no . . . . . . . . . . 5 $sample_5 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26507 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 26507 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '1H-15N HSQC 1' . . . 26507 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 PHE N N 15 . 1 1 3 3 PHE H H 1 0.79 0.04 . . . . . . . . . . 26507 1 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 0.83 0.05 . . . . . . . . . . 26507 1 3 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.73 0.03 . . . . . . . . . . 26507 1 4 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.73 0.04 . . . . . . . . . . 26507 1 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.71 0.03 . . . . . . . . . . 26507 1 6 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.77 0.04 . . . . . . . . . . 26507 1 7 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.68 0.04 . . . . . . . . . . 26507 1 8 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.71 0.04 . . . . . . . . . . 26507 1 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.70 0.03 . . . . . . . . . . 26507 1 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.71 0.04 . . . . . . . . . . 26507 1 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.70 0.04 . . . . . . . . . . 26507 1 12 . 1 1 14 14 TRP N N 15 . 1 1 14 14 TRP H H 1 0.77 0.05 . . . . . . . . . . 26507 1 13 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 0.70 0.03 . . . . . . . . . . 26507 1 14 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.72 0.03 . . . . . . . . . . 26507 1 15 . 1 1 17 17 MET N N 15 . 1 1 17 17 MET H H 1 0.77 0.04 . . . . . . . . . . 26507 1 16 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.78 0.04 . . . . . . . . . . 26507 1 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.72 0.03 . . . . . . . . . . 26507 1 18 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.74 0.04 . . . . . . . . . . 26507 1 19 . 1 1 21 21 TRP N N 15 . 1 1 21 21 TRP H H 1 0.73 0.04 . . . . . . . . . . 26507 1 20 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.74 0.04 . . . . . . . . . . 26507 1 21 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.64 0.03 . . . . . . . . . . 26507 1 stop_ save_ save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 26507 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '1H-15N HSQC 3' . . . 26507 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 PHE N N 15 . 1 1 3 3 PHE H H 1 0.79 0.03 . . . . . . . . . . 26507 2 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 0.79 0.04 . . . . . . . . . . 26507 2 3 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.75 0.03 . . . . . . . . . . 26507 2 4 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.83 0.03 . . . . . . . . . . 26507 2 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.80 0.03 . . . . . . . . . . 26507 2 6 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.75 0.03 . . . . . . . . . . 26507 2 7 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.77 0.03 . . . . . . . . . . 26507 2 8 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.79 0.03 . . . . . . . . . . 26507 2 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.71 0.03 . . . . . . . . . . 26507 2 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.67 0.03 . . . . . . . . . . 26507 2 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.73 0.03 . . . . . . . . . . 26507 2 12 . 1 1 14 14 TRP N N 15 . 1 1 14 14 TRP H H 1 0.78 0.03 . . . . . . . . . . 26507 2 13 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 0.81 0.03 . . . . . . . . . . 26507 2 14 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.78 0.03 . . . . . . . . . . 26507 2 15 . 1 1 17 17 MET N N 15 . 1 1 17 17 MET H H 1 0.77 0.03 . . . . . . . . . . 26507 2 16 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.79 0.03 . . . . . . . . . . 26507 2 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.77 0.03 . . . . . . . . . . 26507 2 18 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.77 0.03 . . . . . . . . . . 26507 2 19 . 1 1 21 21 TRP N N 15 . 1 1 21 21 TRP H H 1 0.79 0.03 . . . . . . . . . . 26507 2 20 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.75 0.03 . . . . . . . . . . 26507 2 21 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.63 0.02 . . . . . . . . . . 26507 2 stop_ save_ save_heteronuclear_noe_list_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_3 _Heteronucl_NOE_list.Entry_ID 26507 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 4 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_4 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 5 '1H-15N HSQC 5' . . . 26507 3 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 PHE N N 15 . 1 1 3 3 PHE H H 1 0.80 0.05 . . . . . . . . . . 26507 3 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 0.77 0.05 . . . . . . . . . . 26507 3 3 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.83 0.04 . . . . . . . . . . 26507 3 4 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.79 0.03 . . . . . . . . . . 26507 3 5 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.77 0.04 . . . . . . . . . . 26507 3 6 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.76 0.03 . . . . . . . . . . 26507 3 7 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.81 0.03 . . . . . . . . . . 26507 3 8 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.74 0.03 . . . . . . . . . . 26507 3 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.83 0.08 . . . . . . . . . . 26507 3 10 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.76 0.05 . . . . . . . . . . 26507 3 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.79 0.05 . . . . . . . . . . 26507 3 12 . 1 1 14 14 TRP N N 15 . 1 1 14 14 TRP H H 1 0.76 0.03 . . . . . . . . . . 26507 3 13 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 0.83 0.03 . . . . . . . . . . 26507 3 14 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.83 0.03 . . . . . . . . . . 26507 3 15 . 1 1 17 17 MET N N 15 . 1 1 17 17 MET H H 1 0.81 0.03 . . . . . . . . . . 26507 3 16 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.83 0.03 . . . . . . . . . . 26507 3 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.80 0.03 . . . . . . . . . . 26507 3 18 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.85 0.04 . . . . . . . . . . 26507 3 19 . 1 1 21 21 TRP N N 15 . 1 1 21 21 TRP H H 1 0.79 0.03 . . . . . . . . . . 26507 3 20 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.80 0.03 . . . . . . . . . . 26507 3 21 . 1 1 23 23 GLY N N 15 . 1 1 23 23 GLY H H 1 0.66 0.03 . . . . . . . . . . 26507 3 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 26507 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '1H-15N HSQC 1' . . . 26507 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 PHE N N 15 1.46 0.04 . . . . . 26507 1 2 . 1 1 4 4 GLY N N 15 1.53 0.05 . . . . . 26507 1 3 . 1 1 5 5 ALA N N 15 1.46 0.04 . . . . . 26507 1 4 . 1 1 6 6 ILE N N 15 1.44 0.04 . . . . . 26507 1 5 . 1 1 7 7 ALA N N 15 1.42 0.04 . . . . . 26507 1 6 . 1 1 8 8 GLY N N 15 1.40 0.04 . . . . . 26507 1 7 . 1 1 9 9 PHE N N 15 1.37 0.04 . . . . . 26507 1 8 . 1 1 10 10 ILE N N 15 1.41 0.04 . . . . . 26507 1 9 . 1 1 11 11 GLU N N 15 1.38 0.04 . . . . . 26507 1 10 . 1 1 12 12 GLY N N 15 1.27 0.04 . . . . . 26507 1 11 . 1 1 13 13 GLY N N 15 1.43 0.04 . . . . . 26507 1 12 . 1 1 14 14 TRP N N 15 1.41 0.04 . . . . . 26507 1 13 . 1 1 15 15 THR N N 15 1.35 0.04 . . . . . 26507 1 14 . 1 1 16 16 GLY N N 15 1.40 0.04 . . . . . 26507 1 15 . 1 1 17 17 MET N N 15 1.48 0.04 . . . . . 26507 1 16 . 1 1 18 18 ILE N N 15 1.43 0.04 . . . . . 26507 1 17 . 1 1 19 19 ASP N N 15 1.41 0.04 . . . . . 26507 1 18 . 1 1 20 20 GLY N N 15 1.43 0.04 . . . . . 26507 1 19 . 1 1 21 21 TRP N N 15 1.41 0.04 . . . . . 26507 1 20 . 1 1 22 22 TYR N N 15 1.43 0.04 . . . . . 26507 1 21 . 1 1 23 23 GLY N N 15 1.42 0.04 . . . . . 26507 1 stop_ save_ save_heteronuclear_T1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_2 _Heteronucl_T1_list.Entry_ID 26507 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 900 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 2 '1H-15N HSQC 2' . . . 26507 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 PHE N N 15 1.00 0.03 . . . . . 26507 2 2 . 1 1 4 4 GLY N N 15 0.99 0.03 . . . . . 26507 2 3 . 1 1 5 5 ALA N N 15 1.02 0.03 . . . . . 26507 2 4 . 1 1 6 6 ILE N N 15 0.90 0.03 . . . . . 26507 2 5 . 1 1 7 7 ALA N N 15 0.97 0.03 . . . . . 26507 2 6 . 1 1 8 8 GLY N N 15 0.94 0.03 . . . . . 26507 2 7 . 1 1 9 9 PHE N N 15 0.97 0.03 . . . . . 26507 2 8 . 1 1 10 10 ILE N N 15 0.94 0.03 . . . . . 26507 2 9 . 1 1 11 11 GLU N N 15 0.94 0.03 . . . . . 26507 2 10 . 1 1 12 12 GLY N N 15 0.88 0.03 . . . . . 26507 2 11 . 1 1 13 13 GLY N N 15 1.01 0.03 . . . . . 26507 2 12 . 1 1 14 14 TRP N N 15 0.98 0.03 . . . . . 26507 2 13 . 1 1 15 15 THR N N 15 0.94 0.03 . . . . . 26507 2 14 . 1 1 16 16 GLY N N 15 0.97 0.03 . . . . . 26507 2 15 . 1 1 17 17 MET N N 15 0.99 0.03 . . . . . 26507 2 16 . 1 1 18 18 ILE N N 15 0.95 0.03 . . . . . 26507 2 17 . 1 1 19 19 ASP N N 15 0.95 0.03 . . . . . 26507 2 18 . 1 1 20 20 GLY N N 15 0.99 0.03 . . . . . 26507 2 19 . 1 1 21 21 TRP N N 15 0.99 0.03 . . . . . 26507 2 20 . 1 1 22 22 TYR N N 15 0.95 0.03 . . . . . 26507 2 21 . 1 1 23 23 GLY N N 15 1.00 0.03 . . . . . 26507 2 stop_ save_ save_heteronuclear_T1_list_3 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_3 _Heteronucl_T1_list.Entry_ID 26507 _Heteronucl_T1_list.ID 3 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 3 '1H-15N HSQC 3' . . . 26507 3 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 PHE N N 15 1.23 0.03 . . . . . 26507 3 2 . 1 1 4 4 GLY N N 15 1.23 0.03 . . . . . 26507 3 3 . 1 1 5 5 ALA N N 15 1.25 0.03 . . . . . 26507 3 4 . 1 1 6 6 ILE N N 15 1.13 0.03 . . . . . 26507 3 5 . 1 1 7 7 ALA N N 15 1.19 0.03 . . . . . 26507 3 6 . 1 1 8 8 GLY N N 15 1.18 0.03 . . . . . 26507 3 7 . 1 1 9 9 PHE N N 15 1.21 0.03 . . . . . 26507 3 8 . 1 1 10 10 ILE N N 15 1.19 0.03 . . . . . 26507 3 9 . 1 1 11 11 GLU N N 15 1.19 0.03 . . . . . 26507 3 10 . 1 1 12 12 GLY N N 15 1.11 0.03 . . . . . 26507 3 11 . 1 1 13 13 GLY N N 15 1.15 0.03 . . . . . 26507 3 12 . 1 1 14 14 TRP N N 15 1.22 0.03 . . . . . 26507 3 13 . 1 1 15 15 THR N N 15 1.18 0.03 . . . . . 26507 3 14 . 1 1 16 16 GLY N N 15 1.19 0.03 . . . . . 26507 3 15 . 1 1 17 17 MET N N 15 1.21 0.03 . . . . . 26507 3 16 . 1 1 18 18 ILE N N 15 1.22 0.03 . . . . . 26507 3 17 . 1 1 19 19 ASP N N 15 1.21 0.03 . . . . . 26507 3 18 . 1 1 20 20 GLY N N 15 1.20 0.03 . . . . . 26507 3 19 . 1 1 21 21 TRP N N 15 1.22 0.03 . . . . . 26507 3 20 . 1 1 22 22 TYR N N 15 1.19 0.03 . . . . . 26507 3 21 . 1 1 23 23 GLY N N 15 1.20 0.03 . . . . . 26507 3 stop_ save_ save_heteronuclear_T1_list_4 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_4 _Heteronucl_T1_list.Entry_ID 26507 _Heteronucl_T1_list.ID 4 _Heteronucl_T1_list.Sample_condition_list_ID 3 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_3 _Heteronucl_T1_list.Spectrometer_frequency_1H 900 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 4 '1H-15N HSQC 4' . . . 26507 4 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 PHE N N 15 0.84 0.03 . . . . . 26507 4 2 . 1 1 4 4 GLY N N 15 0.84 0.03 . . . . . 26507 4 3 . 1 1 5 5 ALA N N 15 0.88 0.03 . . . . . 26507 4 4 . 1 1 6 6 ILE N N 15 0.77 0.02 . . . . . 26507 4 5 . 1 1 7 7 ALA N N 15 0.82 0.03 . . . . . 26507 4 6 . 1 1 8 8 GLY N N 15 0.79 0.02 . . . . . 26507 4 7 . 1 1 9 9 PHE N N 15 0.82 0.02 . . . . . 26507 4 8 . 1 1 10 10 ILE N N 15 0.80 0.02 . . . . . 26507 4 9 . 1 1 11 11 GLU N N 15 0.80 0.02 . . . . . 26507 4 10 . 1 1 12 12 GLY N N 15 0.75 0.02 . . . . . 26507 4 11 . 1 1 13 13 GLY N N 15 0.86 0.03 . . . . . 26507 4 12 . 1 1 14 14 TRP N N 15 0.85 0.03 . . . . . 26507 4 13 . 1 1 15 15 THR N N 15 0.82 0.03 . . . . . 26507 4 14 . 1 1 16 16 GLY N N 15 0.84 0.03 . . . . . 26507 4 15 . 1 1 17 17 MET N N 15 0.84 0.03 . . . . . 26507 4 16 . 1 1 18 18 ILE N N 15 0.82 0.03 . . . . . 26507 4 17 . 1 1 19 19 ASP N N 15 0.80 0.02 . . . . . 26507 4 18 . 1 1 20 20 GLY N N 15 0.84 0.03 . . . . . 26507 4 19 . 1 1 21 21 TRP N N 15 0.85 0.03 . . . . . 26507 4 20 . 1 1 22 22 TYR N N 15 0.83 0.03 . . . . . 26507 4 21 . 1 1 23 23 GLY N N 15 0.89 0.03 . . . . . 26507 4 stop_ save_ save_heteronuclear_T1_list_5 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_5 _Heteronucl_T1_list.Entry_ID 26507 _Heteronucl_T1_list.ID 5 _Heteronucl_T1_list.Sample_condition_list_ID 4 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_4 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 5 '1H-15N HSQC 5' . . . 26507 5 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 PHE N N 15 0.97 0.03 . . . . . 26507 5 2 . 1 1 4 4 GLY N N 15 1.00 0.03 . . . . . 26507 5 3 . 1 1 5 5 ALA N N 15 0.97 0.03 . . . . . 26507 5 4 . 1 1 6 6 ILE N N 15 0.90 0.03 . . . . . 26507 5 5 . 1 1 7 7 ALA N N 15 0.96 0.03 . . . . . 26507 5 6 . 1 1 8 8 GLY N N 15 0.91 0.03 . . . . . 26507 5 7 . 1 1 9 9 PHE N N 15 0.92 0.03 . . . . . 26507 5 8 . 1 1 10 10 ILE N N 15 0.90 0.03 . . . . . 26507 5 9 . 1 1 11 11 GLU N N 15 0.88 0.03 . . . . . 26507 5 10 . 1 1 12 12 GLY N N 15 0.89 0.03 . . . . . 26507 5 11 . 1 1 13 13 GLY N N 15 0.91 0.03 . . . . . 26507 5 12 . 1 1 14 14 TRP N N 15 0.96 0.03 . . . . . 26507 5 13 . 1 1 15 15 THR N N 15 0.96 0.03 . . . . . 26507 5 14 . 1 1 16 16 GLY N N 15 0.94 0.03 . . . . . 26507 5 15 . 1 1 17 17 MET N N 15 0.97 0.03 . . . . . 26507 5 16 . 1 1 18 18 ILE N N 15 0.93 0.03 . . . . . 26507 5 17 . 1 1 19 19 ASP N N 15 0.92 0.03 . . . . . 26507 5 18 . 1 1 20 20 GLY N N 15 0.93 0.03 . . . . . 26507 5 19 . 1 1 21 21 TRP N N 15 0.94 0.03 . . . . . 26507 5 20 . 1 1 22 22 TYR N N 15 0.94 0.03 . . . . . 26507 5 21 . 1 1 23 23 GLY N N 15 1.01 0.03 . . . . . 26507 5 stop_ save_ save_heteronuclear_T1_list_6 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_6 _Heteronucl_T1_list.Entry_ID 26507 _Heteronucl_T1_list.ID 6 _Heteronucl_T1_list.Sample_condition_list_ID 5 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_5 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 6 '1H-15N HSQC 6' . . . 26507 6 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 PHE N N 15 0.92 0.03 . . . . . 26507 6 2 . 1 1 4 4 GLY N N 15 0.93 0.03 . . . . . 26507 6 3 . 1 1 5 5 ALA N N 15 0.92 0.03 . . . . . 26507 6 4 . 1 1 6 6 ILE N N 15 0.86 0.03 . . . . . 26507 6 5 . 1 1 7 7 ALA N N 15 0.90 0.03 . . . . . 26507 6 6 . 1 1 8 8 GLY N N 15 0.88 0.03 . . . . . 26507 6 7 . 1 1 9 9 PHE N N 15 0.92 0.03 . . . . . 26507 6 8 . 1 1 10 10 ILE N N 15 0.93 0.03 . . . . . 26507 6 9 . 1 1 11 11 GLU N N 15 0.85 0.03 . . . . . 26507 6 10 . 1 1 12 12 GLY N N 15 0.82 0.03 . . . . . 26507 6 11 . 1 1 13 13 GLY N N 15 0.87 0.03 . . . . . 26507 6 12 . 1 1 14 14 TRP N N 15 0.91 0.03 . . . . . 26507 6 13 . 1 1 15 15 THR N N 15 0.90 0.03 . . . . . 26507 6 14 . 1 1 16 16 GLY N N 15 0.92 0.03 . . . . . 26507 6 15 . 1 1 17 17 MET N N 15 0.94 0.03 . . . . . 26507 6 16 . 1 1 18 18 ILE N N 15 0.92 0.03 . . . . . 26507 6 17 . 1 1 19 19 ASP N N 15 0.90 0.03 . . . . . 26507 6 18 . 1 1 20 20 GLY N N 15 0.90 0.03 . . . . . 26507 6 19 . 1 1 21 21 TRP N N 15 0.92 0.03 . . . . . 26507 6 20 . 1 1 22 22 TYR N N 15 0.93 0.03 . . . . . 26507 6 21 . 1 1 23 23 GLY N N 15 0.98 0.03 . . . . . 26507 6 stop_ save_ save_heteronuclear_T1_list_7 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_7 _Heteronucl_T1_list.Entry_ID 26507 _Heteronucl_T1_list.ID 7 _Heteronucl_T1_list.Sample_condition_list_ID 5 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_5 _Heteronucl_T1_list.Spectrometer_frequency_1H 900 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 7 '1H-15N HSQC 7' . . . 26507 7 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 PHE N N 15 0.62 0.03 . . . . . 26507 7 2 . 1 1 4 4 GLY N N 15 0.63 0.02 . . . . . 26507 7 3 . 1 1 5 5 ALA N N 15 0.63 0.02 . . . . . 26507 7 4 . 1 1 6 6 ILE N N 15 0.59 0.02 . . . . . 26507 7 5 . 1 1 7 7 ALA N N 15 0.59 0.02 . . . . . 26507 7 6 . 1 1 8 8 GLY N N 15 0.57 0.02 . . . . . 26507 7 7 . 1 1 9 9 PHE N N 15 0.67 0.02 . . . . . 26507 7 8 . 1 1 10 10 ILE N N 15 0.58 0.02 . . . . . 26507 7 9 . 1 1 11 11 GLU N N 15 0.65 0.03 . . . . . 26507 7 10 . 1 1 12 12 GLY N N 15 0.51 0.03 . . . . . 26507 7 11 . 1 1 13 13 GLY N N 15 0.65 0.02 . . . . . 26507 7 12 . 1 1 14 14 TRP N N 15 0.65 0.02 . . . . . 26507 7 13 . 1 1 15 15 THR N N 15 0.61 0.02 . . . . . 26507 7 14 . 1 1 16 16 GLY N N 15 0.64 0.02 . . . . . 26507 7 15 . 1 1 17 17 MET N N 15 0.64 0.02 . . . . . 26507 7 16 . 1 1 18 18 ILE N N 15 0.60 0.02 . . . . . 26507 7 17 . 1 1 19 19 ASP N N 15 0.61 0.02 . . . . . 26507 7 18 . 1 1 20 20 GLY N N 15 0.68 0.02 . . . . . 26507 7 19 . 1 1 21 21 TRP N N 15 0.67 0.02 . . . . . 26507 7 20 . 1 1 22 22 TYR N N 15 0.60 0.02 . . . . . 26507 7 21 . 1 1 23 23 GLY N N 15 0.74 0.02 . . . . . 26507 7 stop_ save_ save_heteronuclear_T1_list_8 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_8 _Heteronucl_T1_list.Entry_ID 26507 _Heteronucl_T1_list.ID 8 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 8 '1H-15N TROSY 1' . . . 26507 8 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 PHE N N 15 0.77 0.02 . . . . . 26507 8 2 . 1 1 4 4 GLY N N 15 0.82 0.02 . . . . . 26507 8 3 . 1 1 5 5 ALA N N 15 0.84 0.03 . . . . . 26507 8 4 . 1 1 6 6 ILE N N 15 0.75 0.02 . . . . . 26507 8 5 . 1 1 7 7 ALA N N 15 0.81 0.02 . . . . . 26507 8 6 . 1 1 8 8 GLY N N 15 0.79 0.02 . . . . . 26507 8 7 . 1 1 9 9 PHE N N 15 0.76 0.02 . . . . . 26507 8 8 . 1 1 10 10 ILE N N 15 0.79 0.02 . . . . . 26507 8 9 . 1 1 11 11 GLU N N 15 0.86 0.03 . . . . . 26507 8 10 . 1 1 12 12 GLY N N 15 0.75 0.03 . . . . . 26507 8 11 . 1 1 13 13 GLY N N 15 0.74 0.02 . . . . . 26507 8 12 . 1 1 14 14 TRP N N 15 0.77 0.02 . . . . . 26507 8 13 . 1 1 15 15 THR N N 15 0.75 0.02 . . . . . 26507 8 14 . 1 1 16 16 GLY N N 15 0.81 0.02 . . . . . 26507 8 15 . 1 1 17 17 MET N N 15 0.79 0.02 . . . . . 26507 8 16 . 1 1 18 18 ILE N N 15 0.78 0.02 . . . . . 26507 8 17 . 1 1 19 19 ASP N N 15 0.78 0.02 . . . . . 26507 8 18 . 1 1 20 20 GLY N N 15 0.80 0.02 . . . . . 26507 8 19 . 1 1 21 21 TRP N N 15 0.78 0.02 . . . . . 26507 8 20 . 1 1 22 22 TYR N N 15 0.79 0.02 . . . . . 26507 8 21 . 1 1 23 23 GLY N N 15 0.90 0.03 . . . . . 26507 8 stop_ save_ save_T1_relaxation_P31_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_P31_1 _Heteronucl_T1_list.Entry_ID 26507 _Heteronucl_T1_list.ID 9 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 9 '1H-15N HSQC 8' . . . 26507 9 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 2 2 1 1 PX4 P1 P 31 1.02 0.01 . . . . . 26507 9 stop_ save_ save_T1_relaxation_P31_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_P31_2 _Heteronucl_T1_list.Entry_ID 26507 _Heteronucl_T1_list.ID 10 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 10 '1H-15N HSQC 9' . . . 26507 10 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 2 2 1 1 PX4 P1 P 31 1.28 0.02 . . . . . 26507 10 stop_ save_ save_T1_relaxation_P31_3 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_P31_3 _Heteronucl_T1_list.Entry_ID 26507 _Heteronucl_T1_list.ID 11 _Heteronucl_T1_list.Sample_condition_list_ID 5 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_5 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 11 '1H-15N HSQC 10' . . . 26507 11 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 2 2 1 1 PX4 P1 P 31 1.09 0.01 . . . . . 26507 11 stop_ save_ save_T1_relaxation_P31_4 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_P31_4 _Heteronucl_T1_list.Entry_ID 26507 _Heteronucl_T1_list.ID 12 _Heteronucl_T1_list.Sample_condition_list_ID 5 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_5 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 12 '1H-15N HSQC 11' . . . 26507 12 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 2 2 1 1 PX4 P1 P 31 1.34 0.02 . . . . . 26507 12 stop_ save_ save_T1_relaxation_P31_5 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_P31_5 _Heteronucl_T1_list.Entry_ID 26507 _Heteronucl_T1_list.ID 13 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 13 '1H-15N TROSY 2' . . . 26507 13 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 2 2 1 1 PX4 P1 P 31 1.10 0.02 . . . . . 26507 13 stop_ save_ save_T1_relaxation_P31_6 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_P31_6 _Heteronucl_T1_list.Entry_ID 26507 _Heteronucl_T1_list.ID 14 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 14 '1H-15N TROSY 3' . . . 26507 14 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 2 2 1 1 PX4 P1 P 31 1.36 0.02 . . . . . 26507 14 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 26507 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '1H-15N HSQC 1' . . . 26507 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 PHE N N 15 10.0 0.3 . . . . . . . 26507 1 2 . 1 1 4 4 GLY N N 15 11.0 0.3 . . . . . . . 26507 1 3 . 1 1 5 5 ALA N N 15 11.8 0.4 . . . . . . . 26507 1 4 . 1 1 6 6 ILE N N 15 10.7 0.3 . . . . . . . 26507 1 5 . 1 1 7 7 ALA N N 15 10.8 0.3 . . . . . . . 26507 1 6 . 1 1 8 8 GLY N N 15 11.0 0.3 . . . . . . . 26507 1 7 . 1 1 9 9 PHE N N 15 11.2 0.3 . . . . . . . 26507 1 8 . 1 1 10 10 ILE N N 15 10.8 0.3 . . . . . . . 26507 1 9 . 1 1 11 11 GLU N N 15 11.2 0.3 . . . . . . . 26507 1 10 . 1 1 12 12 GLY N N 15 10.2 0.3 . . . . . . . 26507 1 11 . 1 1 13 13 GLY N N 15 11.1 0.3 . . . . . . . 26507 1 12 . 1 1 14 14 TRP N N 15 10.5 0.3 . . . . . . . 26507 1 13 . 1 1 15 15 THR N N 15 10.5 0.3 . . . . . . . 26507 1 14 . 1 1 16 16 GLY N N 15 10.9 0.3 . . . . . . . 26507 1 15 . 1 1 17 17 MET N N 15 12.1 0.4 . . . . . . . 26507 1 16 . 1 1 18 18 ILE N N 15 10.8 0.3 . . . . . . . 26507 1 17 . 1 1 19 19 ASP N N 15 10.7 0.3 . . . . . . . 26507 1 18 . 1 1 20 20 GLY N N 15 10.5 0.3 . . . . . . . 26507 1 19 . 1 1 21 21 TRP N N 15 11.3 0.3 . . . . . . . 26507 1 20 . 1 1 22 22 TYR N N 15 11.1 0.3 . . . . . . . 26507 1 21 . 1 1 23 23 GLY N N 15 9.4 0.3 . . . . . . . 26507 1 stop_ save_ save_heteronuclear_T2_list_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_2 _Heteronucl_T2_list.Entry_ID 26507 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 900 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 2 '1H-15N HSQC 2' . . . 26507 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 PHE N N 15 13.2 0.4 . . . . . . . 26507 2 2 . 1 1 4 4 GLY N N 15 14.3 0.4 . . . . . . . 26507 2 3 . 1 1 5 5 ALA N N 15 15.7 0.5 . . . . . . . 26507 2 4 . 1 1 6 6 ILE N N 15 13.8 0.4 . . . . . . . 26507 2 5 . 1 1 7 7 ALA N N 15 14.2 0.4 . . . . . . . 26507 2 6 . 1 1 8 8 GLY N N 15 14.1 0.4 . . . . . . . 26507 2 7 . 1 1 9 9 PHE N N 15 14.8 0.4 . . . . . . . 26507 2 8 . 1 1 10 10 ILE N N 15 13.9 0.4 . . . . . . . 26507 2 9 . 1 1 11 11 GLU N N 15 15.5 0.5 . . . . . . . 26507 2 10 . 1 1 12 12 GLY N N 15 13.3 0.4 . . . . . . . 26507 2 11 . 1 1 13 13 GLY N N 15 14.8 0.4 . . . . . . . 26507 2 12 . 1 1 14 14 TRP N N 15 13.6 0.4 . . . . . . . 26507 2 13 . 1 1 15 15 THR N N 15 13.6 0.4 . . . . . . . 26507 2 14 . 1 1 16 16 GLY N N 15 13.8 0.4 . . . . . . . 26507 2 15 . 1 1 17 17 MET N N 15 16.5 0.5 . . . . . . . 26507 2 16 . 1 1 18 18 ILE N N 15 13.9 0.4 . . . . . . . 26507 2 17 . 1 1 19 19 ASP N N 15 14.2 0.4 . . . . . . . 26507 2 18 . 1 1 20 20 GLY N N 15 13.8 0.4 . . . . . . . 26507 2 19 . 1 1 21 21 TRP N N 15 14.3 0.4 . . . . . . . 26507 2 20 . 1 1 22 22 TYR N N 15 14.3 0.4 . . . . . . . 26507 2 21 . 1 1 23 23 GLY N N 15 12.3 0.4 . . . . . . . 26507 2 stop_ save_ save_heteronuclear_T2_list_3 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_3 _Heteronucl_T2_list.Entry_ID 26507 _Heteronucl_T2_list.ID 3 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 3 '1H-15N HSQC 3' . . . 26507 3 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 PHE N N 15 14.0 0.4 . . . . . . . 26507 3 2 . 1 1 4 4 GLY N N 15 14.6 0.4 . . . . . . . 26507 3 3 . 1 1 5 5 ALA N N 15 16.1 0.4 . . . . . . . 26507 3 4 . 1 1 6 6 ILE N N 15 14.6 0.4 . . . . . . . 26507 3 5 . 1 1 7 7 ALA N N 15 14.9 0.4 . . . . . . . 26507 3 6 . 1 1 8 8 GLY N N 15 14.9 0.4 . . . . . . . 26507 3 7 . 1 1 9 9 PHE N N 15 15.5 0.4 . . . . . . . 26507 3 8 . 1 1 10 10 ILE N N 15 14.5 0.4 . . . . . . . 26507 3 9 . 1 1 11 11 GLU N N 15 15.0 0.4 . . . . . . . 26507 3 10 . 1 1 12 12 GLY N N 15 14.4 0.4 . . . . . . . 26507 3 11 . 1 1 13 13 GLY N N 15 16.1 0.4 . . . . . . . 26507 3 12 . 1 1 14 14 TRP N N 15 14.3 0.4 . . . . . . . 26507 3 13 . 1 1 15 15 THR N N 15 15.2 0.4 . . . . . . . 26507 3 14 . 1 1 16 16 GLY N N 15 14.6 0.4 . . . . . . . 26507 3 15 . 1 1 17 17 MET N N 15 15.5 0.4 . . . . . . . 26507 3 16 . 1 1 18 18 ILE N N 15 14.6 0.4 . . . . . . . 26507 3 17 . 1 1 19 19 ASP N N 15 14.6 0.4 . . . . . . . 26507 3 18 . 1 1 20 20 GLY N N 15 15.0 0.4 . . . . . . . 26507 3 19 . 1 1 21 21 TRP N N 15 14.6 0.4 . . . . . . . 26507 3 20 . 1 1 22 22 TYR N N 15 14.6 0.4 . . . . . . . 26507 3 21 . 1 1 23 23 GLY N N 15 12.7 0.4 . . . . . . . 26507 3 stop_ save_ save_heteronuclear_T2_list_4 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_4 _Heteronucl_T2_list.Entry_ID 26507 _Heteronucl_T2_list.ID 4 _Heteronucl_T2_list.Sample_condition_list_ID 3 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_3 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 900 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 4 '1H-15N HSQC 4' . . . 26507 4 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 PHE N N 15 17.5 0.5 . . . . . . . 26507 4 2 . 1 1 4 4 GLY N N 15 18.4 0.6 . . . . . . . 26507 4 3 . 1 1 5 5 ALA N N 15 20.2 0.6 . . . . . . . 26507 4 4 . 1 1 6 6 ILE N N 15 17.7 0.5 . . . . . . . 26507 4 5 . 1 1 7 7 ALA N N 15 18.6 0.6 . . . . . . . 26507 4 6 . 1 1 8 8 GLY N N 15 18.7 0.6 . . . . . . . 26507 4 7 . 1 1 9 9 PHE N N 15 19.7 0.6 . . . . . . . 26507 4 8 . 1 1 10 10 ILE N N 15 18.1 0.5 . . . . . . . 26507 4 9 . 1 1 11 11 GLU N N 15 19.5 0.6 . . . . . . . 26507 4 10 . 1 1 12 12 GLY N N 15 17.6 0.5 . . . . . . . 26507 4 11 . 1 1 13 13 GLY N N 15 19.8 0.6 . . . . . . . 26507 4 12 . 1 1 14 14 TRP N N 15 18.0 0.5 . . . . . . . 26507 4 13 . 1 1 15 15 THR N N 15 17.5 0.5 . . . . . . . 26507 4 14 . 1 1 16 16 GLY N N 15 18.3 0.6 . . . . . . . 26507 4 15 . 1 1 17 17 MET N N 15 20.4 0.6 . . . . . . . 26507 4 16 . 1 1 18 18 ILE N N 15 18.0 0.5 . . . . . . . 26507 4 17 . 1 1 19 19 ASP N N 15 18.4 0.6 . . . . . . . 26507 4 18 . 1 1 20 20 GLY N N 15 18.1 0.5 . . . . . . . 26507 4 19 . 1 1 21 21 TRP N N 15 19.0 0.6 . . . . . . . 26507 4 20 . 1 1 22 22 TYR N N 15 17.8 0.5 . . . . . . . 26507 4 21 . 1 1 23 23 GLY N N 15 15.9 0.5 . . . . . . . 26507 4 stop_ save_ save_heteronuclear_T2_list_5 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_5 _Heteronucl_T2_list.Entry_ID 26507 _Heteronucl_T2_list.ID 5 _Heteronucl_T2_list.Sample_condition_list_ID 4 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_4 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 5 '1H-15N HSQC 5' . . . 26507 5 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 PHE N N 15 23.2 0.8 . . . . . . . 26507 5 2 . 1 1 4 4 GLY N N 15 23.2 0.8 . . . . . . . 26507 5 3 . 1 1 5 5 ALA N N 15 25.5 0.8 . . . . . . . 26507 5 4 . 1 1 6 6 ILE N N 15 23.1 0.8 . . . . . . . 26507 5 5 . 1 1 7 7 ALA N N 15 24.1 0.8 . . . . . . . 26507 5 6 . 1 1 8 8 GLY N N 15 23.5 0.8 . . . . . . . 26507 5 7 . 1 1 9 9 PHE N N 15 23.2 0.8 . . . . . . . 26507 5 8 . 1 1 10 10 ILE N N 15 23.5 0.8 . . . . . . . 26507 5 9 . 1 1 11 11 GLU N N 15 24.0 0.8 . . . . . . . 26507 5 10 . 1 1 12 12 GLY N N 15 22.5 0.8 . . . . . . . 26507 5 11 . 1 1 13 13 GLY N N 15 29.6 0.8 . . . . . . . 26507 5 12 . 1 1 14 14 TRP N N 15 23.7 0.8 . . . . . . . 26507 5 13 . 1 1 15 15 THR N N 15 22.0 0.8 . . . . . . . 26507 5 14 . 1 1 16 16 GLY N N 15 24.0 0.8 . . . . . . . 26507 5 15 . 1 1 17 17 MET N N 15 25.6 0.8 . . . . . . . 26507 5 16 . 1 1 18 18 ILE N N 15 23.9 0.8 . . . . . . . 26507 5 17 . 1 1 19 19 ASP N N 15 23.4 0.8 . . . . . . . 26507 5 18 . 1 1 20 20 GLY N N 15 24.0 0.8 . . . . . . . 26507 5 19 . 1 1 21 21 TRP N N 15 24.6 0.8 . . . . . . . 26507 5 20 . 1 1 22 22 TYR N N 15 23.4 0.8 . . . . . . . 26507 5 21 . 1 1 23 23 GLY N N 15 19.9 0.8 . . . . . . . 26507 5 stop_ save_ save_heteronuclear_T2_list_6 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_6 _Heteronucl_T2_list.Entry_ID 26507 _Heteronucl_T2_list.ID 6 _Heteronucl_T2_list.Sample_condition_list_ID 5 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_5 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 6 '1H-15N HSQC 6' . . . 26507 6 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 PHE N N 15 25.1 0.8 . . . . . . . 26507 6 2 . 1 1 4 4 GLY N N 15 25.3 0.8 . . . . . . . 26507 6 3 . 1 1 5 5 ALA N N 15 27.1 0.8 . . . . . . . 26507 6 4 . 1 1 6 6 ILE N N 15 24.3 0.8 . . . . . . . 26507 6 5 . 1 1 7 7 ALA N N 15 25.7 0.8 . . . . . . . 26507 6 6 . 1 1 8 8 GLY N N 15 25.2 0.8 . . . . . . . 26507 6 7 . 1 1 9 9 PHE N N 15 23.2 0.8 . . . . . . . 26507 6 8 . 1 1 10 10 ILE N N 15 26.4 0.8 . . . . . . . 26507 6 9 . 1 1 11 11 GLU N N 15 26.1 0.8 . . . . . . . 26507 6 10 . 1 1 12 12 GLY N N 15 23.6 0.8 . . . . . . . 26507 6 11 . 1 1 13 13 GLY N N 15 31.4 0.8 . . . . . . . 26507 6 12 . 1 1 14 14 TRP N N 15 25.4 0.8 . . . . . . . 26507 6 13 . 1 1 15 15 THR N N 15 23.7 0.8 . . . . . . . 26507 6 14 . 1 1 16 16 GLY N N 15 25.7 0.8 . . . . . . . 26507 6 15 . 1 1 17 17 MET N N 15 26.4 0.8 . . . . . . . 26507 6 16 . 1 1 18 18 ILE N N 15 25.7 0.8 . . . . . . . 26507 6 17 . 1 1 19 19 ASP N N 15 25.2 0.8 . . . . . . . 26507 6 18 . 1 1 20 20 GLY N N 15 25.3 0.8 . . . . . . . 26507 6 19 . 1 1 21 21 TRP N N 15 28.1 0.8 . . . . . . . 26507 6 20 . 1 1 22 22 TYR N N 15 24.1 0.8 . . . . . . . 26507 6 21 . 1 1 23 23 GLY N N 15 21.3 0.8 . . . . . . . 26507 6 stop_ save_ save_heteronuclear_T2_list_7 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_7 _Heteronucl_T2_list.Entry_ID 26507 _Heteronucl_T2_list.ID 7 _Heteronucl_T2_list.Sample_condition_list_ID 5 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_5 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 900 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 7 '1H-15N HSQC 7' . . . 26507 7 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 PHE N N 15 33 1 . . . . . . . 26507 7 2 . 1 1 4 4 GLY N N 15 34 1 . . . . . . . 26507 7 3 . 1 1 5 5 ALA N N 15 40 1 . . . . . . . 26507 7 4 . 1 1 6 6 ILE N N 15 33 1 . . . . . . . 26507 7 5 . 1 1 7 7 ALA N N 15 36 1 . . . . . . . 26507 7 6 . 1 1 8 8 GLY N N 15 35 1 . . . . . . . 26507 7 7 . 1 1 9 9 PHE N N 15 33 2 . . . . . . . 26507 7 8 . 1 1 10 10 ILE N N 15 35 1 . . . . . . . 26507 7 9 . 1 1 11 11 GLU N N 15 30 3 . . . . . . . 26507 7 10 . 1 1 12 12 GLY N N 15 36 1 . . . . . . . 26507 7 11 . 1 1 13 13 GLY N N 15 43 1 . . . . . . . 26507 7 12 . 1 1 14 14 TRP N N 15 36 1 . . . . . . . 26507 7 13 . 1 1 15 15 THR N N 15 32 1 . . . . . . . 26507 7 14 . 1 1 16 16 GLY N N 15 37 1 . . . . . . . 26507 7 15 . 1 1 17 17 MET N N 15 38 1 . . . . . . . 26507 7 16 . 1 1 18 18 ILE N N 15 35 1 . . . . . . . 26507 7 17 . 1 1 19 19 ASP N N 15 34 1 . . . . . . . 26507 7 18 . 1 1 20 20 GLY N N 15 35 1 . . . . . . . 26507 7 19 . 1 1 21 21 TRP N N 15 37 1 . . . . . . . 26507 7 20 . 1 1 22 22 TYR N N 15 33 1 . . . . . . . 26507 7 21 . 1 1 23 23 GLY N N 15 31 1 . . . . . . . 26507 7 stop_ save_ save_heteronuclear_T2_list_8 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_8 _Heteronucl_T2_list.Entry_ID 26507 _Heteronucl_T2_list.ID 8 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 8 '1H-15N TROSY 1' . . . 26507 8 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 PHE N N 15 39.6 1.2 . . . . . . . 26507 8 2 . 1 1 4 4 GLY N N 15 33.3 1.0 . . . . . . . 26507 8 3 . 1 1 5 5 ALA N N 15 40.0 1.5 . . . . . . . 26507 8 4 . 1 1 6 6 ILE N N 15 35.4 1.1 . . . . . . . 26507 8 5 . 1 1 7 7 ALA N N 15 40.3 1.2 . . . . . . . 26507 8 6 . 1 1 8 8 GLY N N 15 39.1 1.2 . . . . . . . 26507 8 7 . 1 1 9 9 PHE N N 15 39.2 1.4 . . . . . . . 26507 8 8 . 1 1 10 10 ILE N N 15 38.6 1.2 . . . . . . . 26507 8 9 . 1 1 11 11 GLU N N 15 34.2 1.0 . . . . . . . 26507 8 10 . 1 1 12 12 GLY N N 15 37.2 1.1 . . . . . . . 26507 8 11 . 1 1 13 13 GLY N N 15 48.0 1.8 . . . . . . . 26507 8 12 . 1 1 14 14 TRP N N 15 39.3 1.2 . . . . . . . 26507 8 13 . 1 1 15 15 THR N N 15 36.4 1.1 . . . . . . . 26507 8 14 . 1 1 16 16 GLY N N 15 40.0 1.2 . . . . . . . 26507 8 15 . 1 1 17 17 MET N N 15 40.4 1.2 . . . . . . . 26507 8 16 . 1 1 18 18 ILE N N 15 39.3 1.2 . . . . . . . 26507 8 17 . 1 1 19 19 ASP N N 15 37.8 1.1 . . . . . . . 26507 8 18 . 1 1 20 20 GLY N N 15 38.6 1.2 . . . . . . . 26507 8 19 . 1 1 21 21 TRP N N 15 41.0 1.2 . . . . . . . 26507 8 20 . 1 1 22 22 TYR N N 15 36.9 1.1 . . . . . . . 26507 8 21 . 1 1 23 23 GLY N N 15 32.8 1.0 . . . . . . . 26507 8 stop_ save_ save_T2_relaxation_P31_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_relaxation_P31_1 _Heteronucl_T2_list.Entry_ID 26507 _Heteronucl_T2_list.ID 9 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 9 '1H-15N HSQC 8' . . . 26507 9 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 2 2 1 1 PX4 P1 P 31 5.6 0.1 . . . . . . . 26507 9 stop_ save_ save_T2_relaxation_P31_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_relaxation_P31_2 _Heteronucl_T2_list.Entry_ID 26507 _Heteronucl_T2_list.ID 10 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 10 '1H-15N HSQC 9' . . . 26507 10 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 2 2 1 1 PX4 P1 P 31 7.8 0.1 . . . . . . . 26507 10 stop_ save_ save_T2_relaxation_P31_3 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_relaxation_P31_3 _Heteronucl_T2_list.Entry_ID 26507 _Heteronucl_T2_list.ID 11 _Heteronucl_T2_list.Sample_condition_list_ID 5 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_5 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 11 '1H-15N HSQC 10' . . . 26507 11 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 2 2 1 1 PX4 P1 P 31 11.0 0.1 . . . . . . . 26507 11 stop_ save_ save_T2_relaxation_P31_4 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_relaxation_P31_4 _Heteronucl_T2_list.Entry_ID 26507 _Heteronucl_T2_list.ID 12 _Heteronucl_T2_list.Sample_condition_list_ID 5 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_5 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 12 '1H-15N HSQC 11' . . . 26507 12 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 2 2 1 1 PX4 P1 P 31 15.1 0.2 . . . . . . . 26507 12 stop_ save_ save_T2_relaxation_P31_5 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_relaxation_P31_5 _Heteronucl_T2_list.Entry_ID 26507 _Heteronucl_T2_list.ID 13 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 13 '1H-15N TROSY 2' . . . 26507 13 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 2 2 1 1 PX4 P1 P 31 14.5 0.2 . . . . . . . 26507 13 stop_ save_ save_T2_relaxation_P31_6 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_relaxation_P31_6 _Heteronucl_T2_list.Entry_ID 26507 _Heteronucl_T2_list.ID 14 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 14 '1H-15N TROSY 3' . . . 26507 14 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 2 2 1 1 PX4 P1 P 31 20.0 0.3 . . . . . . . 26507 14 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_Lipari-Szabo_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_Lipari-Szabo_1 _Order_parameter_list.Entry_ID 26507 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units ns _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details ; (a) The best-fit overall rotational correlation times are 8.2 0.1 ns (DPC), 11.1 0.1 ns (q=0.29), 21.0 0.5 ns (q=0.52), 23.3 0.8 ns (q=0.55) and 35.9 0.6 ns (q=0.69). The search space for the overall and internal motional parameters match those of the combined fit (see Data Analysis) except \u03c4i, which was fit over the range of 0-15 ns, and \u03c4R, which was fit over the range 5-15 ns (DPC), 10-25 ns (q=0.29), 15-35 ns (q=0.52 and q=0.55) and 30-50 ns (q=0.69). For fits without a heteronuclear NOE measurement (q=0.55 and q=0.69), the q=0.52 NOE dataset was used in the fits. (b) Reported ranges represent the one standard-deviation confidence region on the \u03c72-surface. ; _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 '1H-15N HSQC 1' . . . 26507 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 3 3 PHE N N 15 0.905 0.015 . . 0.08 0.03 . . . . . . . . . . . . . . . . . . . 26507 1 2 . 1 1 4 4 GLY N N 15 0.955 0.015 . . 0.875 0.425 . . . . . . . . . . . . . . . . . . . 26507 1 3 . 1 1 5 5 ALA N N 15 0.97 0.01 . . 0.425 0.305 . . . . . . . . . . . . . . . . . . . 26507 1 4 . 1 1 6 6 ILE N N 15 0.905 0.015 . . 0.075 0.025 . . . . . . . . . . . . . . . . . . . 26507 1 5 . 1 1 7 7 ALA N N 15 0.925 0.015 . . 0.13 0.05 . . . . . . . . . . . . . . . . . . . 26507 1 6 . 1 1 8 8 GLY N N 15 0.925 0.015 . . 0.055 0.035 . . . . . . . . . . . . . . . . . . . 26507 1 7 . 1 1 9 9 PHE N N 15 0.935 0.015 . . 0.165 0.065 . . . . . . . . . . . . . . . . . . . 26507 1 8 . 1 1 10 10 ILE N N 15 0.915 0.015 . . 0.105 0.035 . . . . . . . . . . . . . . . . . . . 26507 1 9 . 1 1 11 11 GLU N N 15 0.945 0.015 . . 0.14 0.06 . . . . . . . . . . . . . . . . . . . 26507 1 10 . 1 1 12 12 GLY N N 15 0.855 0.015 . . 0.045 0.015 . . . . . . . . . . . . . . . . . . . 26507 1 11 . 1 1 13 13 GLY N N 15 0.945 0.015 . . 0.345 0.235 . . . . . . . . . . . . . . . . . . . 26507 1 12 . 1 1 14 14 TRP N N 15 0.915 0.015 . . 0.09 0.04 . . . . . . . . . . . . . . . . . . . 26507 1 13 . 1 1 15 15 THR N N 15 0.895 0.015 . . 0.085 0.025 . . . . . . . . . . . . . . . . . . . 26507 1 14 . 1 1 16 16 GLY N N 15 0.925 0.015 . . 0.11 0.04 . . . . . . . . . . . . . . . . . . . 26507 1 15 . 1 1 17 17 MET N N 15 0.99 0.01 . . 4.87 4.87 . . . . . . . . . . . . . . . . . . . 26507 1 16 . 1 1 18 18 ILE N N 15 0.925 0.015 . . 0.06 0.03 . . . . . . . . . . . . . . . . . . . 26507 1 17 . 1 1 19 19 ASP N N 15 0.915 0.015 . . 0.1 0.03 . . . . . . . . . . . . . . . . . . . 26507 1 18 . 1 1 20 20 GLY N N 15 0.915 0.015 . . 0.11 0.04 . . . . . . . . . . . . . . . . . . . 26507 1 19 . 1 1 21 21 TRP N N 15 0.945 0.015 . . 0.14 0.07 . . . . . . . . . . . . . . . . . . . 26507 1 20 . 1 1 22 22 TYR N N 15 0.935 0.015 . . 0.115 0.055 . . . . . . . . . . . . . . . . . . . 26507 1 21 . 1 1 23 23 GLY N N 15 0.85 0.01 . . 0.11 0.02 . . . . . . . . . . . . . . . . . . . 26507 1 stop_ save_ save_order_parameter_list_Lipari-Szabo_2 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_Lipari-Szabo_2 _Order_parameter_list.Entry_ID 26507 _Order_parameter_list.ID 2 _Order_parameter_list.Sample_condition_list_ID 2 _Order_parameter_list.Sample_condition_list_label $sample_conditions_2 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units ns _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details ; (a) The best-fit overall rotational correlation times are 8.2 0.1 ns (DPC), 11.1 0.1 ns (q=0.29), 21.0 0.5 ns (q=0.52), 23.3 0.8 ns (q=0.55) and 35.9 0.6 ns (q=0.69). The search space for the overall and internal motional parameters match those of the combined fit (see Data Analysis) except \u03c4i, which was fit over the range of 0-15 ns, and \u03c4R, which was fit over the range 5-15 ns (DPC), 10-25 ns (q=0.29), 15-35 ns (q=0.52 and q=0.55) and 30-50 ns (q=0.69). For fits without a heteronuclear NOE measurement (q=0.55 and q=0.69), the q=0.52 NOE dataset was used in the fits. (b) Reported ranges represent the one standard-deviation confidence region on the \u03c72-surface. ; _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 3 '1H-15N HSQC 3' . . . 26507 2 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 3 3 PHE N N 15 0.925 0.015 . . 1.25 0.25 . . . . . . . . . . . . . . . . . . . 26507 2 2 . 1 1 4 4 GLY N N 15 0.935 0.015 . . 1.3 0.4 . . . . . . . . . . . . . . . . . . . 26507 2 3 . 1 1 5 5 ALA N N 15 0.94 0.01 . . 1.7 0.5 . . . . . . . . . . . . . . . . . . . 26507 2 4 . 1 1 6 6 ILE N N 15 0.95 0.01 . . 0.05 0.05 . . . . . . . . . . . . . . . . . . . 26507 2 5 . 1 1 7 7 ALA N N 15 0.955 0.015 . . 1.2 0.4 . . . . . . . . . . . . . . . . . . . 26507 2 6 . 1 1 8 8 GLY N N 15 0.95 0.01 . . 0.7 0.2 . . . . . . . . . . . . . . . . . . . 26507 2 7 . 1 1 9 9 PHE N N 15 0.96 0.01 . . 1.25 0.45 . . . . . . . . . . . . . . . . . . . 26507 2 8 . 1 1 10 10 ILE N N 15 0.95 0.01 . . 0.95 0.25 . . . . . . . . . . . . . . . . . . . 26507 2 9 . 1 1 11 11 GLU N N 15 0.95 0.01 . . 0.6 0.2 . . . . . . . . . . . . . . . . . . . 26507 2 10 . 1 1 12 12 GLY N N 15 0.91 0.01 . . 0.1 0 . . . . . . . . . . . . . . . . . . . 26507 2 11 . 1 1 13 13 GLY N N 15 0.96 0.01 . . 0.8 0.2 . . . . . . . . . . . . . . . . . . . 26507 2 12 . 1 1 14 14 TRP N N 15 0.93 0.01 . . 1.25 0.25 . . . . . . . . . . . . . . . . . . . 26507 2 13 . 1 1 15 15 THR N N 15 0.95 0.01 . . 1.2 0.3 . . . . . . . . . . . . . . . . . . . 26507 2 14 . 1 1 16 16 GLY N N 15 0.94 0.01 . . 1.05 0.25 . . . . . . . . . . . . . . . . . . . 26507 2 15 . 1 1 17 17 MET N N 15 0.96 0.01 . . 1.4 0.5 . . . . . . . . . . . . . . . . . . . 26507 2 16 . 1 1 18 18 ILE N N 15 0.94 0.01 . . 1.2 0.3 . . . . . . . . . . . . . . . . . . . 26507 2 17 . 1 1 19 19 ASP N N 15 0.95 0.01 . . 0.95 0.25 . . . . . . . . . . . . . . . . . . . 26507 2 18 . 1 1 20 20 GLY N N 15 0.94 0.01 . . 1.05 0.25 . . . . . . . . . . . . . . . . . . . 26507 2 19 . 1 1 21 21 TRP N N 15 0.94 0.01 . . 1.4 0.4 . . . . . . . . . . . . . . . . . . . 26507 2 20 . 1 1 22 22 TYR N N 15 0.93 0.01 . . 0.9 0.2 . . . . . . . . . . . . . . . . . . . 26507 2 21 . 1 1 23 23 GLY N N 15 0.86 0.01 . . 0.85 0.05 . . . . . . . . . . . . . . . . . . . 26507 2 stop_ save_ save_order_parameter_list_Lipari-Szabo_3 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_Lipari-Szabo_3 _Order_parameter_list.Entry_ID 26507 _Order_parameter_list.ID 3 _Order_parameter_list.Sample_condition_list_ID 4 _Order_parameter_list.Sample_condition_list_label $sample_conditions_4 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units ns _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details ; (a) The best-fit overall rotational correlation times are 8.2 0.1 ns (DPC), 11.1 0.1 ns (q=0.29), 21.0 0.5 ns (q=0.52), 23.3 0.8 ns (q=0.55) and 35.9 0.6 ns (q=0.69). The search space for the overall and internal motional parameters match those of the combined fit (see Data Analysis) except \u03c4i, which was fit over the range of 0-15 ns, and \u03c4R, which was fit over the range 5-15 ns (DPC), 10-25 ns (q=0.29), 15-35 ns (q=0.52 and q=0.55) and 30-50 ns (q=0.69). For fits without a heteronuclear NOE measurement (q=0.55 and q=0.69), the q=0.52 NOE dataset was used in the fits. (b) Reported ranges represent the one standard-deviation confidence region on the \u03c72-surface. ; _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 5 '1H-15N HSQC 5' . . . 26507 3 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 3 3 PHE N N 15 0.755 0.065 . . 8.05 3.15 . . . . . . . . . . . . . . . . . . . 26507 3 2 . 1 1 4 4 GLY N N 15 0.82 0.01 . . 2.7 1 . . . . . . . . . . . . . . . . . . . 26507 3 3 . 1 1 5 5 ALA N N 15 0.84 0.02 . . 3.9 1.3 . . . . . . . . . . . . . . . . . . . 26507 3 4 . 1 1 6 6 ILE N N 15 0.705 0.085 . . 8.45 6.55 . . . . . . . . . . . . . . . . . . . 26507 3 5 . 1 1 7 7 ALA N N 15 0.845 0.015 . . 2.65 0.75 . . . . . . . . . . . . . . . . . . . 26507 3 6 . 1 1 8 8 GLY N N 15 0.86 0.01 . . 2.2 0.4 . . . . . . . . . . . . . . . . . . . 26507 3 7 . 1 1 9 9 PHE N N 15 0.725 0.075 . . 11.15 3.85 . . . . . . . . . . . . . . . . . . . 26507 3 8 . 1 1 10 10 ILE N N 15 0.86 0.01 . . 1.95 0.25 . . . . . . . . . . . . . . . . . . . 26507 3 9 . 1 1 11 11 GLU N N 15 0.78 0.07 . . 10.35 4.35 . . . . . . . . . . . . . . . . . . . 26507 3 10 . 1 1 12 12 GLY N N 15 0.685 0.025 . . 10.25 4.75 . . . . . . . . . . . . . . . . . . . 26507 3 11 . 1 1 13 13 GLY N N 15 0.9 0.01 . . 3.25 0.85 . . . . . . . . . . . . . . . . . . . 26507 3 12 . 1 1 14 14 TRP N N 15 0.84 0.01 . . 2.4 0.4 . . . . . . . . . . . . . . . . . . . 26507 3 13 . 1 1 15 15 THR N N 15 0.635 0.085 . . 8.9 6.1 . . . . . . . . . . . . . . . . . . . 26507 3 14 . 1 1 16 16 GLY N N 15 0.805 0.055 . . 6.6 3.1 . . . . . . . . . . . . . . . . . . . 26507 3 15 . 1 1 17 17 MET N N 15 0.845 0.015 . . 3.6 1.1 . . . . . . . . . . . . . . . . . . . 26507 3 16 . 1 1 18 18 ILE N N 15 0.795 0.055 . . 7.35 3.25 . . . . . . . . . . . . . . . . . . . 26507 3 17 . 1 1 19 19 ASP N N 15 0.755 0.075 . . 10 4 . . . . . . . . . . . . . . . . . . . 26507 3 18 . 1 1 20 20 GLY N N 15 0.795 0.055 . . 7.75 3.15 . . . . . . . . . . . . . . . . . . . 26507 3 19 . 1 1 21 21 TRP N N 15 0.855 0.015 . . 3.25 1.25 . . . . . . . . . . . . . . . . . . . 26507 3 20 . 1 1 22 22 TYR N N 15 0.77 0.07 . . 8.25 3.55 . . . . . . . . . . . . . . . . . . . 26507 3 21 . 1 1 23 23 GLY N N 15 0.775 0.015 . . 1.65 0.15 . . . . . . . . . . . . . . . . . . . 26507 3 stop_ save_ save_order_parameter_list_Lipari-Szabo_4 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_Lipari-Szabo_4 _Order_parameter_list.Entry_ID 26507 _Order_parameter_list.ID 4 _Order_parameter_list.Sample_condition_list_ID 5 _Order_parameter_list.Sample_condition_list_label $sample_conditions_5 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units ns _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details ; (a) The best-fit overall rotational correlation times are 8.2 0.1 ns (DPC), 11.1 0.1 ns (q=0.29), 21.0 0.5 ns (q=0.52), 23.3 0.8 ns (q=0.55) and 35.9 0.6 ns (q=0.69). The search space for the overall and internal motional parameters match those of the combined fit (see Data Analysis) except \u03c4i, which was fit over the range of 0-15 ns, and \u03c4R, which was fit over the range 5-15 ns (DPC), 10-25 ns (q=0.29), 15-35 ns (q=0.52 and q=0.55) and 30-50 ns (q=0.69). For fits without a heteronuclear NOE measurement (q=0.55 and q=0.69), the q=0.52 NOE dataset was used in the fits. (b) Reported ranges represent the one standard-deviation confidence region on the \u03c72-surface. ; _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 6 '1H-15N HSQC 6' . . . 26507 4 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 3 3 PHE N N 15 0.725 0.045 . . 8.6 1.9 . . . . . . . . . . . . . . . . . . . 26507 4 2 . 1 1 4 4 GLY N N 15 0.765 0.035 . . 6.4 1.4 . . . . . . . . . . . . . . . . . . . 26507 4 3 . 1 1 5 5 ALA N N 15 0.85 0.01 . . 3.15 0.55 . . . . . . . . . . . . . . . . . . . 26507 4 4 . 1 1 6 6 ILE N N 15 0.67 0.05 . . 12.35 2.25 . . . . . . . . . . . . . . . . . . . 26507 4 5 . 1 1 7 7 ALA N N 15 0.795 0.035 . . 6.4 1.5 . . . . . . . . . . . . . . . . . . . 26507 4 6 . 1 1 8 8 GLY N N 15 0.77 0.04 . . 8.05 1.75 . . . . . . . . . . . . . . . . . . . 26507 4 7 . 1 1 9 9 PHE N N 15 0.66 0.05 . . 9.4 2 . . . . . . . . . . . . . . . . . . . 26507 4 8 . 1 1 10 10 ILE N N 15 0.8 0.03 . . 6.1 1.4 . . . . . . . . . . . . . . . . . . . 26507 4 9 . 1 1 11 11 GLU N N 15 0.855 0.005 . . 2 0.5 . . . . . . . . . . . . . . . . . . . 26507 4 10 . 1 1 12 12 GLY N N 15 0.68 0.02 . . 14.2 0.8 . . . . . . . . . . . . . . . . . . . 26507 4 11 . 1 1 13 13 GLY N N 15 0.88 0.01 . . 2.4 0.3 . . . . . . . . . . . . . . . . . . . 26507 4 12 . 1 1 14 14 TRP N N 15 0.84 0.01 . . 2.65 0.55 . . . . . . . . . . . . . . . . . . . 26507 4 13 . 1 1 15 15 THR N N 15 0.645 0.045 . . 11.95 1.95 . . . . . . . . . . . . . . . . . . . 26507 4 14 . 1 1 16 16 GLY N N 15 0.82 0.02 . . 4.2 1 . . . . . . . . . . . . . . . . . . . 26507 4 15 . 1 1 17 17 MET N N 15 0.835 0.015 . . 3.45 0.65 . . . . . . . . . . . . . . . . . . . 26507 4 16 . 1 1 18 18 ILE N N 15 0.78 0.03 . . 6.6 1.3 . . . . . . . . . . . . . . . . . . . 26507 4 17 . 1 1 19 19 ASP N N 15 0.765 0.035 . . 7.1 1.5 . . . . . . . . . . . . . . . . . . . 26507 4 18 . 1 1 20 20 GLY N N 15 0.82 0.02 . . 3.55 0.95 . . . . . . . . . . . . . . . . . . . 26507 4 19 . 1 1 21 21 TRP N N 15 0.845 0.005 . . 2.75 0.45 . . . . . . . . . . . . . . . . . . . 26507 4 20 . 1 1 22 22 TYR N N 15 0.68 0.04 . . 10.5 1.9 . . . . . . . . . . . . . . . . . . . 26507 4 21 . 1 1 23 23 GLY N N 15 0.78 0.01 . . 1.65 0.15 . . . . . . . . . . . . . . . . . . . 26507 4 stop_ save_ save_order_parameter_list_Lipari-Szabo_5 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_Lipari-Szabo_5 _Order_parameter_list.Entry_ID 26507 _Order_parameter_list.ID 5 _Order_parameter_list.Sample_condition_list_ID 2 _Order_parameter_list.Sample_condition_list_label $sample_conditions_2 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units ns _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details ; (a) The best-fit overall rotational correlation times are 8.2 0.1 ns (DPC), 11.1 0.1 ns (q=0.29), 21.0 0.5 ns (q=0.52), 23.3 0.8 ns (q=0.55) and 35.9 0.6 ns (q=0.69). The search space for the overall and internal motional parameters match those of the combined fit (see Data Analysis) except \u03c4i, which was fit over the range of 0-15 ns, and \u03c4R, which was fit over the range 5-15 ns (DPC), 10-25 ns (q=0.29), 15-35 ns (q=0.52 and q=0.55) and 30-50 ns (q=0.69). For fits without a heteronuclear NOE measurement (q=0.55 and q=0.69), the q=0.52 NOE dataset was used in the fits. (b) Reported ranges represent the one standard-deviation confidence region on the \u03c72-surface. ; _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 8 '1H-15N TROSY 1' . . . 26507 5 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 3 3 PHE N N 15 0.815 0.035 . . 4.45 1.95 . . . . . . . . . . . . . . . . . . . 26507 5 2 . 1 1 4 4 GLY N N 15 0.605 0.035 . . 11.1 1.6 . . . . . . . . . . . . . . . . . . . 26507 5 3 . 1 1 5 5 ALA N N 15 0.79 0.02 . . 4.1 1.1 . . . . . . . . . . . . . . . . . . . 26507 5 4 . 1 1 6 6 ILE N N 15 0.665 0.045 . . 11.1 1.9 . . . . . . . . . . . . . . . . . . . 26507 5 5 . 1 1 7 7 ALA N N 15 0.81 0.01 . . 3.05 0.75 . . . . . . . . . . . . . . . . . . . 26507 5 6 . 1 1 8 8 GLY N N 15 0.82 0.01 . . 2.85 0.65 . . . . . . . . . . . . . . . . . . . 26507 5 7 . 1 1 9 9 PHE N N 15 0.8 0.04 . . 5.3 2 . . . . . . . . . . . . . . . . . . . 26507 5 8 . 1 1 10 10 ILE N N 15 0.82 0.01 . . 2.45 0.35 . . . . . . . . . . . . . . . . . . . 26507 5 9 . 1 1 11 11 GLU N N 15 0.645 0.035 . . 8.8 1.4 . . . . . . . . . . . . . . . . . . . 26507 5 10 . 1 1 12 12 GLY N N 15 0.73 0.04 . . 8.3 1.9 . . . . . . . . . . . . . . . . . . . 26507 5 11 . 1 1 13 13 GLY N N 15 0.85 0.01 . . 3.1 0.7 . . . . . . . . . . . . . . . . . . . 26507 5 12 . 1 1 14 14 TRP N N 15 0.83 0.01 . . 2.7 0.5 . . . . . . . . . . . . . . . . . . . 26507 5 13 . 1 1 15 15 THR N N 15 0.7 0.04 . . 9.75 1.85 . . . . . . . . . . . . . . . . . . . 26507 5 14 . 1 1 16 16 GLY N N 15 0.8 0.02 . . 4.3 1.1 . . . . . . . . . . . . . . . . . . . 26507 5 15 . 1 1 17 17 MET N N 15 0.815 0.015 . . 3.9 1.1 . . . . . . . . . . . . . . . . . . . 26507 5 16 . 1 1 18 18 ILE N N 15 0.79 0.03 . . 5.15 1.45 . . . . . . . . . . . . . . . . . . . 26507 5 17 . 1 1 19 19 ASP N N 15 0.76 0.04 . . 6.4 1.7 . . . . . . . . . . . . . . . . . . . 26507 5 18 . 1 1 20 20 GLY N N 15 0.77 0.03 . . 5.75 1.45 . . . . . . . . . . . . . . . . . . . 26507 5 19 . 1 1 21 21 TRP N N 15 0.825 0.015 . . 3.45 0.85 . . . . . . . . . . . . . . . . . . . 26507 5 20 . 1 1 22 22 TYR N N 15 0.73 0.04 . . 7.5 1.6 . . . . . . . . . . . . . . . . . . . 26507 5 21 . 1 1 23 23 GLY N N 15 0.74 0.01 . . 1.9 0.1 . . . . . . . . . . . . . . . . . . . 26507 5 stop_ save_ save_order_parameter_list_model_A _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_model_A _Order_parameter_list.Entry_ID 26507 _Order_parameter_list.ID 6 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units ns _Order_parameter_list.Tau_s_val_units ns _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details ; (a) The overall rotational correlation times were set to the optimal values from the model B fit: \u03c4R = 10.9 ns (DPC), \u03c4R = 15.1 ns (q=0.29 bicelles), \u03c4R = 26.6 ns (q=0.52), \u03c4R = 29.0 ns (q=0.55), and \u03c4R = 44.2 ns (q=0.69). (b) Reported ranges represent the one standard-deviation confidence region on the \u03c72-surface. ; _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 '1H-15N HSQC 1' . . . 26507 6 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 3 3 PHE N N 15 . . . . 6 6 4.45 0.85 . . . 22.3 0.865 0.005 0.7 0.02 . . . . . . . . . 26507 6 2 . 1 1 4 4 GLY N N 15 . . . . 25 18 8.5 1.3 . . . 15.5 0.925 0.015 0.595 0.035 . . . . . . . . . 26507 6 3 . 1 1 5 5 ALA N N 15 . . . . 34 23 4.8 0.8 . . . 17.1 0.94 0.01 0.73 0.02 . . . . . . . . . 26507 6 4 . 1 1 6 6 ILE N N 15 . . . . 9 7 6.55 1.15 . . . 16.9 0.86 0.01 0.67 0.03 . . . . . . . . . 26507 6 5 . 1 1 7 7 ALA N N 15 . . . . 19 10 5.15 0.75 . . . 15.8 0.89 0.01 0.715 0.015 . . . . . . . . . 26507 6 6 . 1 1 8 8 GLY N N 15 . . . . 23 9 5.9 0.9 . . . 7.6 0.88 0.01 0.705 0.025 . . . . . . . . . 26507 6 7 . 1 1 9 9 PHE N N 15 . . . . 13 11 4.25 0.85 . . . 45.7 0.88 0.01 0.73 0.02 . . . . . . . . . 26507 6 8 . 1 1 10 10 ILE N N 15 . . . . 25 9 5.7 0.8 . . . 14.6 0.88 0.01 0.7 0.02 . . . . . . . . . 26507 6 9 . 1 1 11 11 GLU N N 15 . . . . 62 21 8.15 1.95 . . . 50.5 0.9 0.02 0.655 0.045 . . . . . . . . . 26507 6 10 . 1 1 12 12 GLY N N 15 . . . . 28 7 5.5 0.9 . . . 25.5 0.82 0.01 0.72 0.02 . . . . . . . . . 26507 6 11 . 1 1 13 13 GLY N N 15 . . . . 24.5 24.5 2.4 0.3 . . . 55.1 0.95 0.01 0.805 0.005 . . . . . . . . . 26507 6 12 . 1 1 14 14 TRP N N 15 . . . . 8.5 8.5 3.8 0.5 . . . 12.9 0.87 0.01 0.73 0.01 . . . . . . . . . 26507 6 13 . 1 1 15 15 THR N N 15 . . . . 11 8 5.6 1 . . . 36.0 0.86 0.01 0.685 0.025 . . . . . . . . . 26507 6 14 . 1 1 16 16 GLY N N 15 . . . . 12.5 12.5 3.9 0.5 . . . 13.7 0.88 0.01 0.73 0.01 . . . . . . . . . 26507 6 15 . 1 1 17 17 MET N N 15 . . . . 22 21 5.4 1.1 . . . 15.1 0.94 0.01 0.725 0.025 . . . . . . . . . 26507 6 16 . 1 1 18 18 ILE N N 15 . . . . 87 87 5.3 0.7 . . . 11.4 0.89 0.01 0.7 0.02 . . . . . . . . . 26507 6 17 . 1 1 19 19 ASP N N 15 . . . . 17 8 5.45 0.85 . . . 8.9 0.88 0.01 0.7 0.02 . . . . . . . . . 26507 6 18 . 1 1 20 20 GLY N N 15 . . . . 4 4 3.6 0.4 . . . 16.6 0.875 0.005 0.73 0.01 . . . . . . . . . 26507 6 19 . 1 1 21 21 TRP N N 15 . . . . 62 62 3.45 0.35 . . . 10.8 0.895 0.005 0.75 0.01 . . . . . . . . . 26507 6 20 . 1 1 22 22 TYR N N 15 . . . . 20 10 6.65 1.15 . . . 13.7 0.885 0.015 0.66 0.03 . . . . . . . . . 26507 6 21 . 1 1 23 23 GLY N N 15 . . . . 35 6 3.6 0.4 . . . 9.1 0.8 0.01 0.67 0.01 . . . . . . . . . 26507 6 stop_ save_ save_order_parameter_list_model_B _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_model_B _Order_parameter_list.Entry_ID 26507 _Order_parameter_list.ID 7 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units ns _Order_parameter_list.Tau_s_val_units ns _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details ; (a) The \u03c4s and S2s for model B spins represent the globally-fitted value over all model B spins. The best- fit overall rotational correlation times \u03c4R = 10.9 0.1 ns (DPC), \u03c4R = 15.1 0.2 ns (q=0.29 bicelles), \u03c4R = 26.6 0.4 ns (q=0.52), \u03c4R = 29.0 0.4 ns (q=0.55), and \u03c4R = 44.2 0.7 ns (q=0.69) were used for all model model B fits. Entries for G13 and G23 are those from Table S3. (b) Reported ranges represent the one standard-deviation confidence region on the \u03c72-surface. ; _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 '1H-15N HSQC 1' . . . 26507 7 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 3 3 PHE N N 15 . . . . 19 8 5.1 0.6 . . . 36.3 0.87 0.01 0.7 0.02 . . . . . . . . . 26507 7 2 . 1 1 4 4 GLY N N 15 . . . . 27 9 5.1 0.6 . . . 44.1 0.885 0.005 0.595 0.035 . . . . . . . . . 26507 7 3 . 1 1 5 5 ALA N N 15 . . . . 16 16 5.1 0.6 . . . 25.0 0.94 0.01 0.73 0.02 . . . . . . . . . 26507 7 4 . 1 1 6 6 ILE N N 15 . . . . 4.5 4.5 5.1 0.6 . . . 18.7 0.845 0.005 0.67 0.03 . . . . . . . . . 26507 7 5 . 1 1 7 7 ALA N N 15 . . . . 16 8 5.1 0.6 . . . 16.6 0.885 0.005 0.715 0.015 . . . . . . . . . 26507 7 6 . 1 1 8 8 GLY N N 15 . . . . 11 7 5.1 0.6 . . . 13.3 0.87 0.01 0.705 0.025 . . . . . . . . . 26507 7 7 . 1 1 9 9 PHE N N 15 . . . . 19 8 5.1 0.6 . . . 45.4 0.885 0.005 0.73 0.02 . . . . . . . . . 26507 7 8 . 1 1 10 10 ILE N N 15 . . . . 18 6 5.1 0.6 . . . 16.7 0.87 0.01 0.7 0.02 . . . . . . . . . 26507 7 9 . 1 1 11 11 GLU N N 15 . . . . 32 8 5.1 0.6 . . . 55.0 0.87 0.01 0.655 0.045 . . . . . . . . . 26507 7 10 . 1 1 12 12 GLY N N 15 . . . . 19 5 5.1 0.6 . . . 37.1 0.82 0.01 0.72 0.02 . . . . . . . . . 26507 7 11 . 1 1 13 13 GLY N N 15 . . . . 24.5 24.5 2.4 0.3 . . . 55.1 0.95 0.01 0.805 0.005 . . . . . . . . . 26507 7 12 . 1 1 14 14 TRP N N 15 . . . . 22 7 5.1 0.6 . . . 18.8 0.88 0.01 0.73 0.01 . . . . . . . . . 26507 7 13 . 1 1 15 15 THR N N 15 . . . . 14 6 5.1 0.6 . . . 42.0 0.855 0.005 0.685 0.025 . . . . . . . . . 26507 7 14 . 1 1 16 16 GLY N N 15 . . . . 13 8 5.1 0.6 . . . 18.1 0.89 0.01 0.73 0.01 . . . . . . . . . 26507 7 15 . 1 1 17 17 MET N N 15 . . . . 14.5 14.5 5.1 0.6 . . . 25.4 0.93 0.01 0.725 0.025 . . . . . . . . . 26507 7 16 . 1 1 18 18 ILE N N 15 . . . . 9 9 5.1 0.6 . . . 12.6 0.885 0.005 0.7 0.02 . . . . . . . . . 26507 7 17 . 1 1 19 19 ASP N N 15 . . . . 15 6 5.1 0.6 . . . 9.3 0.875 0.005 0.7 0.02 . . . . . . . . . 26507 7 18 . 1 1 20 20 GLY N N 15 . . . . 15 8 5.1 0.6 . . . 26.1 0.885 0.005 0.73 0.01 . . . . . . . . . 26507 7 19 . 1 1 21 21 TRP N N 15 . . . . 14 10 5.1 0.6 . . . 20.6 0.905 0.005 0.75 0.01 . . . . . . . . . 26507 7 20 . 1 1 22 22 TYR N N 15 . . . . 17 6 5.1 0.6 . . . 19.3 0.87 0.01 0.66 0.03 . . . . . . . . . 26507 7 21 . 1 1 23 23 GLY N N 15 . . . . 35 6 3.6 0.4 . . . 9.1 0.8 0.01 0.67 0.01 . . . . . . . . . 26507 7 stop_ save_ save_order_parameter_list_p31_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_p31_1 _Order_parameter_list.Entry_ID 26507 _Order_parameter_list.ID 8 _Order_parameter_list.Sample_condition_list_ID 2 _Order_parameter_list.Sample_condition_list_label $sample_conditions_2 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units ns _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 9 '1H-15N HSQC 8' . . . 26507 8 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 2 2 1 1 PX4 P1 P 31 . . . . 15 2 . . . . . . . . . . . . . . . . . . . 26507 8 stop_ save_ save_order_parameter_list_p31_2 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_p31_2 _Order_parameter_list.Entry_ID 26507 _Order_parameter_list.ID 9 _Order_parameter_list.Sample_condition_list_ID 5 _Order_parameter_list.Sample_condition_list_label $sample_conditions_5 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units ns _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 11 '1H-15N HSQC 10' . . . 26507 9 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 2 2 1 1 PX4 P1 P 31 . . . . 31 3 . . . . . . . . . . . . . . . . . . . 26507 9 stop_ save_ save_order_parameter_list_p31_3 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_p31_3 _Order_parameter_list.Entry_ID 26507 _Order_parameter_list.ID 10 _Order_parameter_list.Sample_condition_list_ID 2 _Order_parameter_list.Sample_condition_list_label $sample_conditions_2 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units ns _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 13 '1H-15N TROSY 2' . . . 26507 10 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 2 2 1 1 PX4 P1 P 31 . . . . 42 4 . . . . . . . . . . . . . . . . . . . 26507 10 stop_ save_