data_26670 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26670 _Entry.Title ; order parameters for the CaM(E84K):nNOS(p) complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-21 _Entry.Accession_date 2015-09-21 _Entry.Last_release_date 2015-09-22 _Entry.Original_release_date 2015-09-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Kyle Harpole . W. . . 26670 2 Vignesh Kasinath . . . . 26670 3 Jackwee Lim . . . . 26670 4 Kathleen Valentine . G. . . 26670 5 Kim Sharp . A. . . 26670 6 Joshua Wand . A. . . 26670 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID order_parameters 3 26670 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'order parameters' 164 26670 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 . . 2017-06-27 . original BMRB . 26670 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26665 'Calmodulin (D58N)' 26670 BMRB 26666 'Calmodulin (D95N)' 26670 BMRB 26667 'Calmodulin (E84K)' 26670 BMRB 26668 'Calmodulin (D58N):smMLCK(p)' 26670 BMRB 26669 'Calmodulin (D95N):smMLCK(p)' 26670 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26670 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28584100 _Citation.Full_citation . _Citation.Title ; Entropy in molecular recognition by proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 114 _Citation.Journal_issue 25 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 6563 _Citation.Page_last 6568 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jose Caro J. A. . . 26670 1 2 Kyle Harpole K. W. . . 26670 1 3 Vignesh Kasinath V. . . . 26670 1 4 Jackwee Lim J. . . . 26670 1 5 Jeffrey Granja J. . . . 26670 1 6 Kathleen Valentine K. G. . . 26670 1 7 Kim Sharp K. A. . . 26670 1 8 'A Joshua' Wand A. J. . . 26670 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26670 _Assembly.ID 1 _Assembly.Name 'Calmodulin (E84K):nNOS(p)' _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 'Calmodulin (E84K)' 1 $Calmodulin(E84K) A . yes native no no . . . 26670 1 2 nNOS(p) 2 $nNOS(p) B . yes native no no . . . 26670 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calmodulin(E84K) _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin(E84K) _Entity.Entry_ID 26670 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Calmodulin(E84K) _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 ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEkIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _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 148 _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 . 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 . ALA . 26670 1 2 . ASP . 26670 1 3 . GLN . 26670 1 4 . LEU . 26670 1 5 . THR . 26670 1 6 . GLU . 26670 1 7 . GLU . 26670 1 8 . GLN . 26670 1 9 . ILE . 26670 1 10 . ALA . 26670 1 11 . GLU . 26670 1 12 . PHE . 26670 1 13 . LYS . 26670 1 14 . GLU . 26670 1 15 . ALA . 26670 1 16 . PHE . 26670 1 17 . SER . 26670 1 18 . LEU . 26670 1 19 . PHE . 26670 1 20 . ASP . 26670 1 21 . LYS . 26670 1 22 . ASP . 26670 1 23 . GLY . 26670 1 24 . ASP . 26670 1 25 . GLY . 26670 1 26 . THR . 26670 1 27 . ILE . 26670 1 28 . THR . 26670 1 29 . THR . 26670 1 30 . LYS . 26670 1 31 . GLU . 26670 1 32 . LEU . 26670 1 33 . GLY . 26670 1 34 . THR . 26670 1 35 . VAL . 26670 1 36 . MET . 26670 1 37 . ARG . 26670 1 38 . SER . 26670 1 39 . LEU . 26670 1 40 . GLY . 26670 1 41 . GLN . 26670 1 42 . ASN . 26670 1 43 . PRO . 26670 1 44 . THR . 26670 1 45 . GLU . 26670 1 46 . ALA . 26670 1 47 . GLU . 26670 1 48 . LEU . 26670 1 49 . GLN . 26670 1 50 . ASP . 26670 1 51 . MET . 26670 1 52 . ILE . 26670 1 53 . ASN . 26670 1 54 . GLU . 26670 1 55 . VAL . 26670 1 56 . ASP . 26670 1 57 . ALA . 26670 1 58 . ASP . 26670 1 59 . GLY . 26670 1 60 . ASN . 26670 1 61 . GLY . 26670 1 62 . THR . 26670 1 63 . ILE . 26670 1 64 . ASP . 26670 1 65 . PHE . 26670 1 66 . PRO . 26670 1 67 . GLU . 26670 1 68 . PHE . 26670 1 69 . LEU . 26670 1 70 . THR . 26670 1 71 . MET . 26670 1 72 . MET . 26670 1 73 . ALA . 26670 1 74 . ARG . 26670 1 75 . LYS . 26670 1 76 . MET . 26670 1 77 . LYS . 26670 1 78 . ASP . 26670 1 79 . THR . 26670 1 80 . ASP . 26670 1 81 . SER . 26670 1 82 . GLU . 26670 1 83 . GLU . 26670 1 84 . LYS . 26670 1 85 . ILE . 26670 1 86 . ARG . 26670 1 87 . GLU . 26670 1 88 . ALA . 26670 1 89 . PHE . 26670 1 90 . ARG . 26670 1 91 . VAL . 26670 1 92 . PHE . 26670 1 93 . ASP . 26670 1 94 . LYS . 26670 1 95 . ASP . 26670 1 96 . GLY . 26670 1 97 . ASN . 26670 1 98 . GLY . 26670 1 99 . TYR . 26670 1 100 . ILE . 26670 1 101 . SER . 26670 1 102 . ALA . 26670 1 103 . ALA . 26670 1 104 . GLU . 26670 1 105 . LEU . 26670 1 106 . ARG . 26670 1 107 . HIS . 26670 1 108 . VAL . 26670 1 109 . MET . 26670 1 110 . THR . 26670 1 111 . ASN . 26670 1 112 . LEU . 26670 1 113 . GLY . 26670 1 114 . GLU . 26670 1 115 . LYS . 26670 1 116 . LEU . 26670 1 117 . THR . 26670 1 118 . ASP . 26670 1 119 . GLU . 26670 1 120 . GLU . 26670 1 121 . VAL . 26670 1 122 . ASP . 26670 1 123 . GLU . 26670 1 124 . MET . 26670 1 125 . ILE . 26670 1 126 . ARG . 26670 1 127 . GLU . 26670 1 128 . ALA . 26670 1 129 . ASP . 26670 1 130 . ILE . 26670 1 131 . ASP . 26670 1 132 . GLY . 26670 1 133 . ASP . 26670 1 134 . GLY . 26670 1 135 . GLN . 26670 1 136 . VAL . 26670 1 137 . ASN . 26670 1 138 . TYR . 26670 1 139 . GLU . 26670 1 140 . GLU . 26670 1 141 . PHE . 26670 1 142 . VAL . 26670 1 143 . GLN . 26670 1 144 . MET . 26670 1 145 . MET . 26670 1 146 . THR . 26670 1 147 . ALA . 26670 1 148 . LYS . 26670 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 26670 1 . ASP 2 2 26670 1 . GLN 3 3 26670 1 . LEU 4 4 26670 1 . THR 5 5 26670 1 . GLU 6 6 26670 1 . GLU 7 7 26670 1 . GLN 8 8 26670 1 . ILE 9 9 26670 1 . ALA 10 10 26670 1 . GLU 11 11 26670 1 . PHE 12 12 26670 1 . LYS 13 13 26670 1 . GLU 14 14 26670 1 . ALA 15 15 26670 1 . PHE 16 16 26670 1 . SER 17 17 26670 1 . LEU 18 18 26670 1 . PHE 19 19 26670 1 . ASP 20 20 26670 1 . LYS 21 21 26670 1 . ASP 22 22 26670 1 . GLY 23 23 26670 1 . ASP 24 24 26670 1 . GLY 25 25 26670 1 . THR 26 26 26670 1 . ILE 27 27 26670 1 . THR 28 28 26670 1 . THR 29 29 26670 1 . LYS 30 30 26670 1 . GLU 31 31 26670 1 . LEU 32 32 26670 1 . GLY 33 33 26670 1 . THR 34 34 26670 1 . VAL 35 35 26670 1 . MET 36 36 26670 1 . ARG 37 37 26670 1 . SER 38 38 26670 1 . LEU 39 39 26670 1 . GLY 40 40 26670 1 . GLN 41 41 26670 1 . ASN 42 42 26670 1 . PRO 43 43 26670 1 . THR 44 44 26670 1 . GLU 45 45 26670 1 . ALA 46 46 26670 1 . GLU 47 47 26670 1 . LEU 48 48 26670 1 . GLN 49 49 26670 1 . ASP 50 50 26670 1 . MET 51 51 26670 1 . ILE 52 52 26670 1 . ASN 53 53 26670 1 . GLU 54 54 26670 1 . VAL 55 55 26670 1 . ASP 56 56 26670 1 . ALA 57 57 26670 1 . ASP 58 58 26670 1 . GLY 59 59 26670 1 . ASN 60 60 26670 1 . GLY 61 61 26670 1 . THR 62 62 26670 1 . ILE 63 63 26670 1 . ASP 64 64 26670 1 . PHE 65 65 26670 1 . PRO 66 66 26670 1 . GLU 67 67 26670 1 . PHE 68 68 26670 1 . LEU 69 69 26670 1 . THR 70 70 26670 1 . MET 71 71 26670 1 . MET 72 72 26670 1 . ALA 73 73 26670 1 . ARG 74 74 26670 1 . LYS 75 75 26670 1 . MET 76 76 26670 1 . LYS 77 77 26670 1 . ASP 78 78 26670 1 . THR 79 79 26670 1 . ASP 80 80 26670 1 . SER 81 81 26670 1 . GLU 82 82 26670 1 . GLU 83 83 26670 1 . LYS 84 84 26670 1 . ILE 85 85 26670 1 . ARG 86 86 26670 1 . GLU 87 87 26670 1 . ALA 88 88 26670 1 . PHE 89 89 26670 1 . ARG 90 90 26670 1 . VAL 91 91 26670 1 . PHE 92 92 26670 1 . ASP 93 93 26670 1 . LYS 94 94 26670 1 . ASP 95 95 26670 1 . GLY 96 96 26670 1 . ASN 97 97 26670 1 . GLY 98 98 26670 1 . TYR 99 99 26670 1 . ILE 100 100 26670 1 . SER 101 101 26670 1 . ALA 102 102 26670 1 . ALA 103 103 26670 1 . GLU 104 104 26670 1 . LEU 105 105 26670 1 . ARG 106 106 26670 1 . HIS 107 107 26670 1 . VAL 108 108 26670 1 . MET 109 109 26670 1 . THR 110 110 26670 1 . ASN 111 111 26670 1 . LEU 112 112 26670 1 . GLY 113 113 26670 1 . GLU 114 114 26670 1 . LYS 115 115 26670 1 . LEU 116 116 26670 1 . THR 117 117 26670 1 . ASP 118 118 26670 1 . GLU 119 119 26670 1 . GLU 120 120 26670 1 . VAL 121 121 26670 1 . ASP 122 122 26670 1 . GLU 123 123 26670 1 . MET 124 124 26670 1 . ILE 125 125 26670 1 . ARG 126 126 26670 1 . GLU 127 127 26670 1 . ALA 128 128 26670 1 . ASP 129 129 26670 1 . ILE 130 130 26670 1 . ASP 131 131 26670 1 . GLY 132 132 26670 1 . ASP 133 133 26670 1 . GLY 134 134 26670 1 . GLN 135 135 26670 1 . VAL 136 136 26670 1 . ASN 137 137 26670 1 . TYR 138 138 26670 1 . GLU 139 139 26670 1 . GLU 140 140 26670 1 . PHE 141 141 26670 1 . VAL 142 142 26670 1 . GLN 143 143 26670 1 . MET 144 144 26670 1 . MET 145 145 26670 1 . THR 146 146 26670 1 . ALA 147 147 26670 1 . LYS 148 148 26670 1 stop_ save_ save_nNOS(p) _Entity.Sf_category entity _Entity.Sf_framecode nNOS(p) _Entity.Entry_ID 26670 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name nNOS(p) _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 ; GSKRRAIGFKKLAEAVKFSA KLMGQ ; _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 25 _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 . 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 . 26670 2 2 0 SER . 26670 2 3 1 LYS . 26670 2 4 2 ARG . 26670 2 5 3 ARG . 26670 2 6 4 ALA . 26670 2 7 5 ILE . 26670 2 8 6 GLY . 26670 2 9 7 PHE . 26670 2 10 8 LYS . 26670 2 11 9 LYS . 26670 2 12 10 LEU . 26670 2 13 11 ALA . 26670 2 14 12 GLU . 26670 2 15 13 ALA . 26670 2 16 14 VAL . 26670 2 17 15 LYS . 26670 2 18 16 PHE . 26670 2 19 17 SER . 26670 2 20 18 ALA . 26670 2 21 19 LYS . 26670 2 22 20 LEU . 26670 2 23 21 MET . 26670 2 24 22 GLY . 26670 2 25 23 GLN . 26670 2 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 26670 2 . SER 2 2 26670 2 . LYS 3 3 26670 2 . ARG 4 4 26670 2 . ARG 5 5 26670 2 . ALA 6 6 26670 2 . ILE 7 7 26670 2 . GLY 8 8 26670 2 . PHE 9 9 26670 2 . LYS 10 10 26670 2 . LYS 11 11 26670 2 . LEU 12 12 26670 2 . ALA 13 13 26670 2 . GLU 14 14 26670 2 . ALA 15 15 26670 2 . VAL 16 16 26670 2 . LYS 17 17 26670 2 . PHE 18 18 26670 2 . SER 19 19 26670 2 . ALA 20 20 26670 2 . LYS 21 21 26670 2 . LEU 22 22 26670 2 . MET 23 23 26670 2 . GLY 24 24 26670 2 . GLN 25 25 26670 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 26670 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Calmodulin(E84K) . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . 26670 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 26670 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Calmodulin(E84K) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 26670 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CaM_rlx_sample _Sample.Sf_category sample _Sample.Sf_framecode CaM_rlx_sample _Sample.Entry_ID 26670 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Calmodulin(E84K) '[U-99% 15N]' . . 1 $Calmodulin(E84K) . . 0.4 . . mM . . . . 26670 1 2 Calmodulin(E84K) '[U-13C; U-2H]' . . 1 $Calmodulin(E84K) . . 1 . . mM . . . . 26670 1 3 nNOS(p) 'natural abundance' . . 2 $nNOS(p) . . 1.55 1.5 1.6 mM . . . . 26670 1 stop_ save_ save_nNOS_rlx_sample _Sample.Sf_category sample _Sample.Sf_framecode nNOS_rlx_sample _Sample.Entry_ID 26670 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Calmodulin(E84K) '[U-99% 15N]' . . 1 $Calmodulin(E84K) . . 1.4 . . mM . . . . 26670 2 2 nNOS(p) '[U-13C; U-15N; U-2H]' . . 2 $nNOS(p) . . 1.15 1.1 1.2 mM . . . . 26670 2 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 26670 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 26670 1 pressure 1 . atm 26670 1 temperature 308 . K 26670 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 26670 _Software.ID 1 _Software.Name Felix _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 26670 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26670 1 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 26670 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 26670 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 26670 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 26670 _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 . 500 . . . 26670 1 2 spectrometer_2 Bruker Avance . 600 . . . 26670 1 3 spectrometer_3 Bruker Avance . 750 . . . 26670 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 26670 _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 '15N T1,T2,NOE' no . . . . . . . . . . 1 $CaM_rlx_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26670 1 2 '2H IzCz-compensated Dz and Dy' no . . . . . . . . . . 1 $CaM_rlx_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26670 1 3 '2H IzCz-compensated Dz and Dy' no . . . . . . . . . . 2 $nNOS_rlx_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26670 1 stop_ save_ ###################### # Order parameters # ###################### save_Backbone_Order_Parameters _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode Backbone_Order_Parameters _Order_parameter_list.Entry_ID 26670 _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 . _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 1 '15N T1,T2,NOE' . . . 26670 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 4 4 LEU N N 15 0.577 0.018 1.10E-09 3.97E-10 . . . . . . . . . . . . . . . . . . . . . 26670 1 2 . 1 1 5 5 THR N N 15 0.753 0.004 5.41E-10 1.73E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 3 . 1 1 6 6 GLU N N 15 0.820 0.004 3.69E-10 1.53E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 4 . 1 1 8 8 GLN N N 15 0.837 0.006 3.97E-10 2.17E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 5 . 1 1 9 9 ILE N N 15 0.884 0.006 5.69E-10 4.66E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 6 . 1 1 10 10 ALA N N 15 0.907 0.003 3.09E-10 2.34E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 7 . 1 1 11 11 GLU N N 15 0.877 0.003 2.81E-10 1.83E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 8 . 1 1 12 12 PHE N N 15 0.919 0.005 3.18E-10 4.07E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 9 . 1 1 13 13 LYS N N 15 0.998 0.002 4.27E-09 1.12E-09 . . . . . . . . . . . . . . . . . . . . . 26670 1 10 . 1 1 14 14 GLU N N 15 0.918 0.005 1.58E-10 3.83E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 11 . 1 1 16 16 PHE N N 15 0.918 0.005 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 12 . 1 1 17 17 SER N N 15 0.899 0.008 1.53E-11 1.94E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 13 . 1 1 18 18 LEU N N 15 0.911 0.004 2.00E-14 4.47E-13 . . . . . . . . . . . . . . . . . . . . . 26670 1 14 . 1 1 19 19 PHE N N 15 0.875 0.007 2.68E-10 3.13E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 15 . 1 1 20 20 ASP N N 15 0.868 0.005 6.54E-11 2.23E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 16 . 1 1 21 21 LYS N N 15 0.810 0.008 1.61E-10 1.47E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 17 . 1 1 22 22 ASP N N 15 0.874 0.004 2.66E-11 1.69E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 18 . 1 1 23 23 GLY N N 15 0.856 0.010 2.09E-11 1.49E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 19 . 1 1 24 24 ASP N N 15 0.879 0.007 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 20 . 1 1 25 25 GLY N N 15 0.878 0.008 1.02E-12 4.56E-12 . . . . . . . . . . . . . . . . . . . . . 26670 1 21 . 1 1 26 26 THR N N 15 0.906 0.004 2.32E-12 7.07E-12 . . . . . . . . . . . . . . . . . . . . . 26670 1 22 . 1 1 27 27 ILE N N 15 0.861 0.009 2.04E-10 3.46E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 23 . 1 1 28 28 THR N N 15 0.891 0.007 5.56E-11 3.39E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 24 . 1 1 29 29 THR N N 15 0.855 0.005 3.82E-11 1.72E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 25 . 1 1 30 30 LYS N N 15 0.894 0.005 1.03E-10 2.18E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 26 . 1 1 31 31 GLU N N 15 0.889 0.006 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 27 . 1 1 32 32 LEU N N 15 0.920 0.008 8.88E-11 4.36E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 28 . 1 1 33 33 GLY N N 15 0.894 0.006 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 29 . 1 1 34 34 THR N N 15 0.934 0.005 3.34E-10 4.68E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 30 . 1 1 36 36 MET N N 15 0.907 0.004 2.70E-10 2.71E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 31 . 1 1 37 37 ARG N N 15 0.876 0.004 1.36E-10 1.84E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 32 . 1 1 38 38 SER N N 15 0.877 0.007 7.15E-11 2.35E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 33 . 1 1 39 39 LEU N N 15 0.867 0.007 2.22E-10 2.58E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 34 . 1 1 40 40 GLY N N 15 0.736 0.004 2.17E-10 9.89E-12 . . . . . . . . . . . . . . . . . . . . . 26670 1 35 . 1 1 42 42 ASN N N 15 0.831 0.007 1.97E-10 2.14E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 36 . 1 1 44 44 THR N N 15 0.856 0.004 1.89E-10 1.57E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 37 . 1 1 45 45 GLU N N 15 0.956 0.007 8.79E-11 6.78E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 38 . 1 1 53 53 ASN N N 15 0.883 0.004 3.90E-10 2.09E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 39 . 1 1 54 54 GLU N N 15 0.879 0.008 2.48E-10 4.01E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 40 . 1 1 55 55 VAL N N 15 0.877 0.005 1.01E-10 2.36E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 41 . 1 1 56 56 ASP N N 15 0.654 0.007 1.51E-10 7.05E-12 . . . . . . . . . . . . . . . . . . . . . 26670 1 42 . 1 1 57 57 ALA N N 15 0.809 0.007 9.56E-11 1.09E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 43 . 1 1 59 59 GLY N N 15 0.855 0.007 3.10E-12 7.03E-12 . . . . . . . . . . . . . . . . . . . . . 26670 1 44 . 1 1 61 61 GLY N N 15 0.895 0.006 8.07E-11 1.97E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 45 . 1 1 62 62 THR N N 15 0.917 0.006 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 46 . 1 1 63 63 ILE N N 15 0.873 0.006 1.88E-10 3.01E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 47 . 1 1 64 64 ASP N N 15 0.923 0.007 1.70E-10 4.92E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 48 . 1 1 65 65 PHE N N 15 0.930 0.008 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 49 . 1 1 67 67 GLU N N 15 0.907 0.007 8.30E-12 1.64E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 50 . 1 1 68 68 PHE N N 15 0.919 0.006 3.20E-13 2.81E-12 . . . . . . . . . . . . . . . . . . . . . 26670 1 51 . 1 1 70 70 THR N N 15 0.990 0.008 6.42E-10 7.49E-10 . . . . . . . . . . . . . . . . . . . . . 26670 1 52 . 1 1 71 71 MET N N 15 0.924 0.005 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 53 . 1 1 72 72 MET N N 15 0.911 0.005 1.00E-10 2.44E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 54 . 1 1 73 73 ALA N N 15 0.754 0.002 8.50E-09 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 55 . 1 1 79 79 THR N N 15 0.784 0.008 1.69E-09 1.55E-09 . . . . . . . . . . . . . . . . . . . . . 26670 1 56 . 1 1 80 80 ASP N N 15 0.897 0.005 3.49E-10 3.06E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 57 . 1 1 82 82 GLU N N 15 0.884 0.010 5.69E-10 6.72E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 58 . 1 1 86 86 ARG N N 15 0.906 0.006 5.38E-11 2.75E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 59 . 1 1 89 89 PHE N N 15 0.928 0.006 2.00E-14 4.47E-13 . . . . . . . . . . . . . . . . . . . . . 26670 1 60 . 1 1 91 91 VAL N N 15 0.897 0.007 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 61 . 1 1 92 92 PHE N N 15 0.867 0.006 6.98E-11 2.03E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 62 . 1 1 93 93 ASP N N 15 0.841 0.005 1.74E-10 1.45E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 63 . 1 1 94 94 LYS N N 15 0.895 0.009 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 64 . 1 1 96 96 GLY N N 15 0.896 0.007 6.60E-12 1.11E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 65 . 1 1 97 97 ASN N N 15 0.895 0.008 1.50E-10 3.04E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 66 . 1 1 98 98 GLY N N 15 0.900 0.004 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 67 . 1 1 99 99 TYR N N 15 0.867 0.008 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 68 . 1 1 100 100 ILE N N 15 0.904 0.009 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 69 . 1 1 101 101 SER N N 15 0.901 0.006 9.40E-13 4.44E-12 . . . . . . . . . . . . . . . . . . . . . 26670 1 70 . 1 1 102 102 ALA N N 15 0.904 0.005 7.48E-12 1.14E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 71 . 1 1 103 103 ALA N N 15 0.928 0.006 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 72 . 1 1 106 106 ARG N N 15 0.908 0.005 4.08E-11 2.78E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 73 . 1 1 109 109 MET N N 15 0.905 0.007 1.17E-10 3.08E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 74 . 1 1 110 110 THR N N 15 0.898 0.007 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 75 . 1 1 111 111 ASN N N 15 0.867 0.007 2.60E-10 2.55E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 76 . 1 1 113 113 GLY N N 15 0.641 0.005 6.10E-10 1.55E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 77 . 1 1 115 115 LYS N N 15 0.647 0.005 6.57E-10 1.52E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 78 . 1 1 116 116 LEU N N 15 0.788 0.006 2.64E-10 1.64E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 79 . 1 1 117 117 THR N N 15 0.878 0.005 2.54E-10 2.10E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 80 . 1 1 118 118 ASP N N 15 0.869 0.005 1.22E-10 1.89E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 81 . 1 1 120 120 GLU N N 15 0.900 0.003 1.81E-10 2.33E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 82 . 1 1 122 122 ASP N N 15 0.908 0.004 2.07E-10 2.49E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 83 . 1 1 123 123 GLU N N 15 0.894 0.007 9.39E-11 2.69E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 84 . 1 1 125 125 ILE N N 15 0.600 0.005 1.09E-10 5.63E-12 . . . . . . . . . . . . . . . . . . . . . 26670 1 85 . 1 1 130 130 ILE N N 15 0.885 0.007 1.48E-12 5.28E-12 . . . . . . . . . . . . . . . . . . . . . 26670 1 86 . 1 1 131 131 ASP N N 15 0.815 0.006 6.43E-11 1.09E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 87 . 1 1 132 132 GLY N N 15 0.876 0.006 1.02E-12 4.90E-12 . . . . . . . . . . . . . . . . . . . . . 26670 1 88 . 1 1 134 134 GLY N N 15 0.899 0.005 6.15E-11 2.22E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 89 . 1 1 135 135 GLN N N 15 0.865 0.007 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 90 . 1 1 136 136 VAL N N 15 0.882 0.010 0.00E+00 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 1 91 . 1 1 137 137 ASN N N 15 0.898 0.005 9.75E-11 2.55E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 92 . 1 1 140 140 GLU N N 15 0.934 0.006 8.00E-14 1.41E-12 . . . . . . . . . . . . . . . . . . . . . 26670 1 93 . 1 1 141 141 PHE N N 15 0.878 0.004 1.55E-10 2.26E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 94 . 1 1 142 142 VAL N N 15 0.826 0.006 2.14E-10 1.66E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 95 . 1 1 145 145 MET N N 15 0.836 0.004 1.24E-09 5.15E-11 . . . . . . . . . . . . . . . . . . . . . 26670 1 96 . 1 1 146 146 THR N N 15 0.701 0.007 4.23E-09 2.73E-10 . . . . . . . . . . . . . . . . . . . . . 26670 1 stop_ save_ save_Methyl_Order_Parameters_CaM _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode Methyl_Order_Parameters_CaM _Order_parameter_list.Entry_ID 26670 _Order_parameter_list.ID 2 _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 . _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 2 '2H IzCz-compensated Dz and Dy' . . . 26670 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 1 1 ALA CB C 13 0.056 0.002 2.73E-10 4.57E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 2 . 1 1 4 4 LEU CD1 C 13 0.369 0.016 4.39E-10 2.60E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 3 . 1 1 4 4 LEU CD2 C 13 0.385 0.009 3.24E-10 8.16E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 4 . 1 1 9 9 ILE CG2 C 13 0.708 0.005 2.56E-10 4.95E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 5 . 1 1 9 9 ILE CD1 C 13 0.433 0.005 1.89E-10 5.40E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 6 . 1 1 10 10 ALA CB C 13 0.846 0.009 3.34E-10 5.02E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 7 . 1 1 18 18 LEU CD1 C 13 0.253 0.009 3.44E-10 5.80E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 8 . 1 1 18 18 LEU CD2 C 13 0.275 0.008 3.87E-10 1.12E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 9 . 1 1 26 26 THR CG2 C 13 0.526 0.014 8.96E-10 1.20E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 10 . 1 1 27 27 ILE CD1 C 13 0.839 0.017 3.08E-10 1.64E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 11 . 1 1 27 27 ILE CG2 C 13 0.846 0.030 3.21E-10 2.38E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 12 . 1 1 29 29 THR CG2 C 13 0.354 0.004 6.93E-10 7.04E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 13 . 1 1 34 34 THR CG2 C 13 0.601 0.007 4.96E-10 7.13E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 14 . 1 1 35 35 VAL CG1 C 13 0.746 0.017 4.90E-10 3.74E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 15 . 1 1 36 36 MET CE C 13 0.315 0.004 1.29E-10 5.04E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 16 . 1 1 39 39 LEU CD2 C 13 0.733 0.022 3.22E-10 2.06E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 17 . 1 1 48 48 LEU CD1 C 13 0.480 0.021 4.16E-10 3.57E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 18 . 1 1 51 51 MET CE C 13 0.299 0.004 9.72E-11 4.48E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 19 . 1 1 52 52 ILE CD1 C 13 0.251 0.004 2.16E-10 7.28E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 20 . 1 1 55 55 VAL CG1 C 13 0.504 0.005 4.77E-10 1.16E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 21 . 1 1 55 55 VAL CG2 C 13 0.474 0.013 4.32E-10 1.66E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 22 . 1 1 62 62 THR CG2 C 13 0.806 0.018 1.05E-09 2.42E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 23 . 1 1 63 63 ILE CD1 C 13 0.693 0.012 2.78E-10 1.40E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 24 . 1 1 63 63 ILE CG2 C 13 0.635 0.012 2.05E-10 1.11E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 25 . 1 1 69 69 LEU CD1 C 13 0.367 0.018 4.01E-10 3.53E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 26 . 1 1 71 71 MET CE C 13 0.226 0.005 1.54E-10 4.96E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 27 . 1 1 72 72 MET CE C 13 0.276 0.004 1.37E-10 6.61E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 28 . 1 1 73 73 ALA CB C 13 0.823 0.009 3.78E-10 1.39E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 29 . 1 1 76 76 MET CE C 13 0.178 0.003 1.21E-10 3.01E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 30 . 1 1 85 85 ILE CG2 C 13 0.701 0.011 2.49E-10 9.08E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 31 . 1 1 85 85 ILE CD1 C 13 0.442 0.006 2.57E-10 5.21E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 32 . 1 1 88 88 ALA CB C 13 1.004 0.029 1.39E-10 1.24E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 33 . 1 1 91 91 VAL CG1 C 13 0.780 0.017 6.49E-10 4.45E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 34 . 1 1 100 100 ILE CG2 C 13 0.832 0.017 2.96E-10 1.41E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 35 . 1 1 100 100 ILE CD1 C 13 0.771 0.027 3.14E-10 3.24E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 36 . 1 1 102 102 ALA CB C 13 0.910 0.014 3.56E-10 6.09E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 37 . 1 1 105 105 LEU CD1 C 13 0.336 0.007 4.06E-10 1.17E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 38 . 1 1 105 105 LEU CD2 C 13 0.305 0.010 3.56E-10 1.56E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 39 . 1 1 108 108 VAL CG1 C 13 0.659 0.011 4.83E-10 1.80E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 40 . 1 1 109 109 MET CE C 13 0.335 0.003 1.59E-10 3.51E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 41 . 1 1 112 112 LEU CD2 C 13 0.466 0.013 3.64E-10 1.09E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 42 . 1 1 116 116 LEU CD1 C 13 0.251 0.015 6.20E-10 2.46E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 43 . 1 1 116 116 LEU CD2 C 13 0.281 0.010 4.30E-10 7.03E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 44 . 1 1 121 121 VAL CG2 C 13 0.521 0.006 2.83E-10 7.87E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 45 . 1 1 124 124 MET CE C 13 0.391 0.004 1.30E-10 4.77E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 46 . 1 1 125 125 ILE CD1 C 13 0.300 0.005 2.62E-10 7.16E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 47 . 1 1 125 125 ILE CG2 C 13 0.517 0.005 3.89E-10 3.55E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 48 . 1 1 128 128 ALA CB C 13 0.823 0.011 4.35E-10 1.13E-11 . . . . . . . . . . . . . . . . . . . . . 26670 2 49 . 1 1 130 130 ILE CD1 C 13 0.303 0.003 3.00E-10 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 2 50 . 1 1 142 142 VAL CG1 C 13 0.563 0.004 5.94E-10 7.42E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 51 . 1 1 142 142 VAL CG2 C 13 0.547 0.007 2.66E-10 8.21E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 52 . 1 1 144 144 MET CE C 13 0.628 0.006 1.07E-10 9.52E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 53 . 1 1 145 145 MET CE C 13 0.400 0.003 1.62E-10 4.67E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 54 . 1 1 146 146 THR CG2 C 13 0.556 0.006 4.73E-10 5.54E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 55 . 1 1 147 147 ALA CB C 13 0.446 0.004 3.75E-10 4.99E-12 . . . . . . . . . . . . . . . . . . . . . 26670 2 stop_ save_ save_Methyl_Order_Parameters_nNOS(p) _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode Methyl_Order_Parameters_nNOS(p) _Order_parameter_list.Entry_ID 26670 _Order_parameter_list.ID 3 _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 . _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 3 '2H IzCz-compensated Dz and Dy' . . . 26670 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 . 2 2 6 6 ALA CB C 13 0.525 0.001 4.80E-10 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26670 3 2 . 2 2 7 7 ILE CG2 C 13 0.442 0.003 4.28E-10 3.64E-12 . . . . . . . . . . . . . . . . . . . . . 26670 3 3 . 2 2 7 7 ILE CD1 C 13 0.372 0.003 2.26E-10 4.86E-12 . . . . . . . . . . . . . . . . . . . . . 26670 3 4 . 2 2 12 12 LEU CD1 C 13 0.609 0.006 3.39E-10 7.74E-12 . . . . . . . . . . . . . . . . . . . . . 26670 3 5 . 2 2 12 12 LEU CD2 C 13 0.719 0.019 5.87E-10 2.52E-11 . . . . . . . . . . . . . . . . . . . . . 26670 3 6 . 2 2 13 13 ALA CB C 13 0.955 0.014 1.03E-09 2.34E-11 . . . . . . . . . . . . . . . . . . . . . 26670 3 7 . 2 2 15 15 ALA CB C 13 0.951 0.010 5.26E-10 9.16E-12 . . . . . . . . . . . . . . . . . . . . . 26670 3 8 . 2 2 16 16 VAL CG1 C 13 0.873 0.013 1.16E-09 1.92E-11 . . . . . . . . . . . . . . . . . . . . . 26670 3 9 . 2 2 16 16 VAL CG2 C 13 0.868 0.006 3.15E-10 9.44E-12 . . . . . . . . . . . . . . . . . . . . . 26670 3 10 . 2 2 20 20 ALA CB C 13 0.985 0.010 4.85E-10 7.72E-12 . . . . . . . . . . . . . . . . . . . . . 26670 3 11 . 2 2 22 22 LEU CD1 C 13 0.504 0.007 3.66E-10 4.92E-12 . . . . . . . . . . . . . . . . . . . . . 26670 3 12 . 2 2 22 22 LEU CD2 C 13 0.471 0.013 4.03E-10 1.49E-11 . . . . . . . . . . . . . . . . . . . . . 26670 3 13 . 2 2 23 23 MET CE C 13 0.368 0.008 1.04E-10 4.96E-12 . . . . . . . . . . . . . . . . . . . . . 26670 3 stop_ save_