data_26667 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26667 _Entry.Title ; Backbone and side chain order parameters for calcium-bound calmodulin (E84K) ; _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. . . 26667 2 Vignesh Kasinath . . . . 26667 3 Jackwee Lim . . . . 26667 4 Kathleen Valentine . G. . . 26667 5 Kim Sharp . A. . . 26667 6 Joshua Wand . A. . . 26667 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Wand Group, University of Pennsylvania' . 26667 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID order_parameters 2 26667 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'order parameters' 152 26667 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 . 26667 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26665 'Calmodulin (D58N)' 26667 BMRB 26666 'Calmodulin (D95N)' 26667 BMRB 26668 'Calmodulin (D58N):smMLCK(p)' 26667 BMRB 26669 'Calmodulin (D95N):smMLCK(p)' 26667 BMRB 26670 'Calmodulin (E84K):nNOS(p)' 26667 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26667 _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. . . 26667 1 2 Kyle Harpole K. W. . . 26667 1 3 Vignesh Kasinath V. . . . 26667 1 4 Jackwee Lim J. . . . 26667 1 5 Jeffrey Granja J. . . . 26667 1 6 Kathleen Valentine K. G. . . 26667 1 7 Kim Sharp K. A. . . 26667 1 8 'A Joshua' Wand A. J. . . 26667 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26667 _Assembly.ID 1 _Assembly.Name 'Calmodulin (E84K)' _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 . . . 26667 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calmodulin(E84K) _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin(E84K) _Entity.Entry_ID 26667 _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 . 26667 1 2 . ASP . 26667 1 3 . GLN . 26667 1 4 . LEU . 26667 1 5 . THR . 26667 1 6 . GLU . 26667 1 7 . GLU . 26667 1 8 . GLN . 26667 1 9 . ILE . 26667 1 10 . ALA . 26667 1 11 . GLU . 26667 1 12 . PHE . 26667 1 13 . LYS . 26667 1 14 . GLU . 26667 1 15 . ALA . 26667 1 16 . PHE . 26667 1 17 . SER . 26667 1 18 . LEU . 26667 1 19 . PHE . 26667 1 20 . ASP . 26667 1 21 . LYS . 26667 1 22 . ASP . 26667 1 23 . GLY . 26667 1 24 . ASP . 26667 1 25 . GLY . 26667 1 26 . THR . 26667 1 27 . ILE . 26667 1 28 . THR . 26667 1 29 . THR . 26667 1 30 . LYS . 26667 1 31 . GLU . 26667 1 32 . LEU . 26667 1 33 . GLY . 26667 1 34 . THR . 26667 1 35 . VAL . 26667 1 36 . MET . 26667 1 37 . ARG . 26667 1 38 . SER . 26667 1 39 . LEU . 26667 1 40 . GLY . 26667 1 41 . GLN . 26667 1 42 . ASN . 26667 1 43 . PRO . 26667 1 44 . THR . 26667 1 45 . GLU . 26667 1 46 . ALA . 26667 1 47 . GLU . 26667 1 48 . LEU . 26667 1 49 . GLN . 26667 1 50 . ASP . 26667 1 51 . MET . 26667 1 52 . ILE . 26667 1 53 . ASN . 26667 1 54 . GLU . 26667 1 55 . VAL . 26667 1 56 . ASP . 26667 1 57 . ALA . 26667 1 58 . ASP . 26667 1 59 . GLY . 26667 1 60 . ASN . 26667 1 61 . GLY . 26667 1 62 . THR . 26667 1 63 . ILE . 26667 1 64 . ASP . 26667 1 65 . PHE . 26667 1 66 . PRO . 26667 1 67 . GLU . 26667 1 68 . PHE . 26667 1 69 . LEU . 26667 1 70 . THR . 26667 1 71 . MET . 26667 1 72 . MET . 26667 1 73 . ALA . 26667 1 74 . ARG . 26667 1 75 . LYS . 26667 1 76 . MET . 26667 1 77 . LYS . 26667 1 78 . ASP . 26667 1 79 . THR . 26667 1 80 . ASP . 26667 1 81 . SER . 26667 1 82 . GLU . 26667 1 83 . GLU . 26667 1 84 . LYS . 26667 1 85 . ILE . 26667 1 86 . ARG . 26667 1 87 . GLU . 26667 1 88 . ALA . 26667 1 89 . PHE . 26667 1 90 . ARG . 26667 1 91 . VAL . 26667 1 92 . PHE . 26667 1 93 . ASP . 26667 1 94 . LYS . 26667 1 95 . ASP . 26667 1 96 . GLY . 26667 1 97 . ASN . 26667 1 98 . GLY . 26667 1 99 . TYR . 26667 1 100 . ILE . 26667 1 101 . SER . 26667 1 102 . ALA . 26667 1 103 . ALA . 26667 1 104 . GLU . 26667 1 105 . LEU . 26667 1 106 . ARG . 26667 1 107 . HIS . 26667 1 108 . VAL . 26667 1 109 . MET . 26667 1 110 . THR . 26667 1 111 . ASN . 26667 1 112 . LEU . 26667 1 113 . GLY . 26667 1 114 . GLU . 26667 1 115 . LYS . 26667 1 116 . LEU . 26667 1 117 . THR . 26667 1 118 . ASP . 26667 1 119 . GLU . 26667 1 120 . GLU . 26667 1 121 . VAL . 26667 1 122 . ASP . 26667 1 123 . GLU . 26667 1 124 . MET . 26667 1 125 . ILE . 26667 1 126 . ARG . 26667 1 127 . GLU . 26667 1 128 . ALA . 26667 1 129 . ASP . 26667 1 130 . ILE . 26667 1 131 . ASP . 26667 1 132 . GLY . 26667 1 133 . ASP . 26667 1 134 . GLY . 26667 1 135 . GLN . 26667 1 136 . VAL . 26667 1 137 . ASN . 26667 1 138 . TYR . 26667 1 139 . GLU . 26667 1 140 . GLU . 26667 1 141 . PHE . 26667 1 142 . VAL . 26667 1 143 . GLN . 26667 1 144 . MET . 26667 1 145 . MET . 26667 1 146 . THR . 26667 1 147 . ALA . 26667 1 148 . LYS . 26667 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 26667 1 . ASP 2 2 26667 1 . GLN 3 3 26667 1 . LEU 4 4 26667 1 . THR 5 5 26667 1 . GLU 6 6 26667 1 . GLU 7 7 26667 1 . GLN 8 8 26667 1 . ILE 9 9 26667 1 . ALA 10 10 26667 1 . GLU 11 11 26667 1 . PHE 12 12 26667 1 . LYS 13 13 26667 1 . GLU 14 14 26667 1 . ALA 15 15 26667 1 . PHE 16 16 26667 1 . SER 17 17 26667 1 . LEU 18 18 26667 1 . PHE 19 19 26667 1 . ASP 20 20 26667 1 . LYS 21 21 26667 1 . ASP 22 22 26667 1 . GLY 23 23 26667 1 . ASP 24 24 26667 1 . GLY 25 25 26667 1 . THR 26 26 26667 1 . ILE 27 27 26667 1 . THR 28 28 26667 1 . THR 29 29 26667 1 . LYS 30 30 26667 1 . GLU 31 31 26667 1 . LEU 32 32 26667 1 . GLY 33 33 26667 1 . THR 34 34 26667 1 . VAL 35 35 26667 1 . MET 36 36 26667 1 . ARG 37 37 26667 1 . SER 38 38 26667 1 . LEU 39 39 26667 1 . GLY 40 40 26667 1 . GLN 41 41 26667 1 . ASN 42 42 26667 1 . PRO 43 43 26667 1 . THR 44 44 26667 1 . GLU 45 45 26667 1 . ALA 46 46 26667 1 . GLU 47 47 26667 1 . LEU 48 48 26667 1 . GLN 49 49 26667 1 . ASP 50 50 26667 1 . MET 51 51 26667 1 . ILE 52 52 26667 1 . ASN 53 53 26667 1 . GLU 54 54 26667 1 . VAL 55 55 26667 1 . ASP 56 56 26667 1 . ALA 57 57 26667 1 . ASP 58 58 26667 1 . GLY 59 59 26667 1 . ASN 60 60 26667 1 . GLY 61 61 26667 1 . THR 62 62 26667 1 . ILE 63 63 26667 1 . ASP 64 64 26667 1 . PHE 65 65 26667 1 . PRO 66 66 26667 1 . GLU 67 67 26667 1 . PHE 68 68 26667 1 . LEU 69 69 26667 1 . THR 70 70 26667 1 . MET 71 71 26667 1 . MET 72 72 26667 1 . ALA 73 73 26667 1 . ARG 74 74 26667 1 . LYS 75 75 26667 1 . MET 76 76 26667 1 . LYS 77 77 26667 1 . ASP 78 78 26667 1 . THR 79 79 26667 1 . ASP 80 80 26667 1 . SER 81 81 26667 1 . GLU 82 82 26667 1 . GLU 83 83 26667 1 . LYS 84 84 26667 1 . ILE 85 85 26667 1 . ARG 86 86 26667 1 . GLU 87 87 26667 1 . ALA 88 88 26667 1 . PHE 89 89 26667 1 . ARG 90 90 26667 1 . VAL 91 91 26667 1 . PHE 92 92 26667 1 . ASP 93 93 26667 1 . LYS 94 94 26667 1 . ASP 95 95 26667 1 . GLY 96 96 26667 1 . ASN 97 97 26667 1 . GLY 98 98 26667 1 . TYR 99 99 26667 1 . ILE 100 100 26667 1 . SER 101 101 26667 1 . ALA 102 102 26667 1 . ALA 103 103 26667 1 . GLU 104 104 26667 1 . LEU 105 105 26667 1 . ARG 106 106 26667 1 . HIS 107 107 26667 1 . VAL 108 108 26667 1 . MET 109 109 26667 1 . THR 110 110 26667 1 . ASN 111 111 26667 1 . LEU 112 112 26667 1 . GLY 113 113 26667 1 . GLU 114 114 26667 1 . LYS 115 115 26667 1 . LEU 116 116 26667 1 . THR 117 117 26667 1 . ASP 118 118 26667 1 . GLU 119 119 26667 1 . GLU 120 120 26667 1 . VAL 121 121 26667 1 . ASP 122 122 26667 1 . GLU 123 123 26667 1 . MET 124 124 26667 1 . ILE 125 125 26667 1 . ARG 126 126 26667 1 . GLU 127 127 26667 1 . ALA 128 128 26667 1 . ASP 129 129 26667 1 . ILE 130 130 26667 1 . ASP 131 131 26667 1 . GLY 132 132 26667 1 . ASP 133 133 26667 1 . GLY 134 134 26667 1 . GLN 135 135 26667 1 . VAL 136 136 26667 1 . ASN 137 137 26667 1 . TYR 138 138 26667 1 . GLU 139 139 26667 1 . GLU 140 140 26667 1 . PHE 141 141 26667 1 . VAL 142 142 26667 1 . GLN 143 143 26667 1 . MET 144 144 26667 1 . MET 145 145 26667 1 . THR 146 146 26667 1 . ALA 147 147 26667 1 . LYS 148 148 26667 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26667 _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 . . . . . . . . . . . . . 26667 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 26667 _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 . . . 26667 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Rlx_sample _Sample.Sf_category sample _Sample.Sf_framecode Rlx_sample _Sample.Entry_ID 26667 _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 . . . . 26667 1 2 Calmodulin(E84K) '[U-13C; U-2H]' . . 1 $Calmodulin(E84K) . . 1 . . mM . . . . 26667 1 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 26667 _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 26667 1 pressure 1 . atm 26667 1 temperature 308 . K 26667 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 26667 _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.' . . 26667 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26667 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 26667 _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 26667 _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 26667 _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 26667 _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 . . . 26667 1 2 spectrometer_2 Bruker Avance . 600 . . . 26667 1 3 spectrometer_3 Bruker Avance . 750 . . . 26667 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 26667 _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 $Rlx_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26667 1 2 '2H IzCz-compensated Dz and Dy' no . . . . . . . . . . 1 $Rlx_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26667 1 stop_ save_ ###################### # Order parameters # ###################### save_Methyl_Order_parameters _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode Methyl_Order_parameters _Order_parameter_list.Entry_ID 26667 _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 2 '2H IzCz-compensated Dz and Dy' . . . 26667 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 CD1 C 13 0.446 0.013 5.08E-11 1.31E-12 . . . . . . . . . . . . . . . . . . . . . 26667 1 2 . 1 1 4 4 LEU CD2 C 13 0.403 0.009 3.41E-11 6.82E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 3 . 1 1 5 5 THR CG2 C 13 0.768 0.005 3.54E-11 5.43E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 4 . 1 1 9 9 ILE CG2 C 13 0.831 0.006 2.82E-11 7.24E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 5 . 1 1 9 9 ILE CD1 C 13 0.397 0.005 1.86E-11 4.95E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 6 . 1 1 10 10 ALA CB C 13 0.909 0.008 3.40E-11 6.49E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 7 . 1 1 15 15 ALA CB C 13 1.072 0.011 6.36E-11 1.69E-12 . . . . . . . . . . . . . . . . . . . . . 26667 1 8 . 1 1 18 18 LEU CD1 C 13 0.227 0.004 3.93E-11 7.31E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 9 . 1 1 18 18 LEU CD2 C 13 0.287 0.003 3.97E-11 5.18E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 10 . 1 1 26 26 THR CG2 C 13 0.562 0.017 8.94E-11 1.12E-12 . . . . . . . . . . . . . . . . . . . . . 26667 1 11 . 1 1 27 27 ILE CG2 C 13 0.272 0.028 2.97E-11 5.29E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 12 . 1 1 29 29 THR CG2 C 13 0.419 0.007 6.71E-11 7.55E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 13 . 1 1 32 32 LEU CD1 C 13 0.526 0.014 3.04E-11 6.61E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 14 . 1 1 35 35 VAL CG2 C 13 0.775 0.011 2.47E-11 7.37E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 15 . 1 1 36 36 MET CE C 13 0.269 0.004 9.90E-12 3.06E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 16 . 1 1 48 48 LEU CD2 C 13 0.390 0.006 2.99E-11 4.32E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 17 . 1 1 51 51 MET CE C 13 0.224 0.003 9.00E-12 0.01E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 18 . 1 1 52 52 ILE CG2 C 13 0.623 0.007 4.11E-11 7.66E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 19 . 1 1 52 52 ILE CD1 C 13 0.361 0.005 1.86E-11 5.35E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 20 . 1 1 55 55 VAL CG1 C 13 0.611 0.007 5.07E-11 8.74E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 21 . 1 1 55 55 VAL CG2 C 13 0.574 0.010 4.39E-11 1.08E-12 . . . . . . . . . . . . . . . . . . . . . 26667 1 22 . 1 1 62 62 THR CG2 C 13 0.865 0.022 1.03E-10 2.92E-12 . . . . . . . . . . . . . . . . . . . . . 26667 1 23 . 1 1 63 63 ILE CD1 C 13 0.443 0.004 3.05E-11 7.66E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 24 . 1 1 63 63 ILE CG2 C 13 0.792 0.012 2.51E-11 1.15E-12 . . . . . . . . . . . . . . . . . . . . . 26667 1 25 . 1 1 69 69 LEU CD1 C 13 0.444 0.010 3.85E-11 1.60E-12 . . . . . . . . . . . . . . . . . . . . . 26667 1 26 . 1 1 69 69 LEU CD2 C 13 0.456 0.032 4.24E-11 3.35E-12 . . . . . . . . . . . . . . . . . . . . . 26667 1 27 . 1 1 70 70 THR CG2 C 13 0.661 0.006 4.60E-11 5.11E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 28 . 1 1 71 71 MET CE C 13 0.171 0.004 9.47E-12 5.00E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 29 . 1 1 72 72 MET CE C 13 0.280 0.001 1.00E-11 1.09E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 30 . 1 1 73 73 ALA CB C 13 0.868 0.005 4.32E-11 4.66E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 31 . 1 1 76 76 MET CE C 13 0.111 0.011 8.70E-12 4.59E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 32 . 1 1 79 79 THR CG2 C 13 0.354 0.007 5.17E-11 4.77E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 33 . 1 1 85 85 ILE CG2 C 13 0.624 0.006 2.97E-11 8.54E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 34 . 1 1 85 85 ILE CD1 C 13 0.386 0.003 2.38E-11 5.02E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 35 . 1 1 88 88 ALA CB C 13 0.942 0.021 6.92E-11 2.86E-12 . . . . . . . . . . . . . . . . . . . . . 26667 1 36 . 1 1 91 91 VAL CG1 C 13 0.818 0.007 4.72E-11 9.77E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 37 . 1 1 91 91 VAL CG2 C 13 0.747 0.006 2.75E-11 1.07E-12 . . . . . . . . . . . . . . . . . . . . . 26667 1 38 . 1 1 100 100 ILE CG2 C 13 0.841 0.011 3.48E-11 5.69E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 39 . 1 1 102 102 ALA CB C 13 1.000 0.008 3.79E-11 6.31E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 40 . 1 1 105 105 LEU CD1 C 13 0.395 0.006 3.16E-11 7.08E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 41 . 1 1 105 105 LEU CD2 C 13 0.273 0.015 3.50E-11 1.19E-12 . . . . . . . . . . . . . . . . . . . . . 26667 1 42 . 1 1 108 108 VAL CG2 C 13 0.560 0.004 3.10E-11 9.75E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 43 . 1 1 109 109 MET CE C 13 0.216 0.004 8.00E-12 0.01E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 44 . 1 1 112 112 LEU CD1 C 13 0.481 0.024 5.13E-11 1.61E-12 . . . . . . . . . . . . . . . . . . . . . 26667 1 45 . 1 1 116 116 LEU CD1 C 13 0.391 0.022 5.71E-11 2.70E-12 . . . . . . . . . . . . . . . . . . . . . 26667 1 46 . 1 1 116 116 LEU CD2 C 13 0.329 0.006 3.54E-11 5.10E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 47 . 1 1 121 121 VAL CG1 C 13 0.599 0.006 4.13E-11 4.73E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 48 . 1 1 121 121 VAL CG2 C 13 0.593 0.006 3.66E-11 6.10E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 49 . 1 1 124 124 MET CE C 13 0.230 0.002 8.00E-12 0.01E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 50 . 1 1 125 125 ILE CG2 C 13 0.684 0.006 3.65E-11 5.96E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 51 . 1 1 125 125 ILE CD1 C 13 0.241 0.003 2.78E-11 4.58E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 52 . 1 1 128 128 ALA CB C 13 0.878 0.013 6.02E-11 1.07E-12 . . . . . . . . . . . . . . . . . . . . . 26667 1 53 . 1 1 130 130 ILE CG2 C 13 0.572 0.003 3.79E-11 3.63E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 54 . 1 1 130 130 ILE CD1 C 13 0.369 0.004 2.51E-11 2.59E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 55 . 1 1 136 136 VAL CG2 C 13 0.795 0.007 4.83E-11 8.36E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 56 . 1 1 142 142 VAL CG1 C 13 0.789 0.008 5.19E-11 1.21E-12 . . . . . . . . . . . . . . . . . . . . . 26667 1 57 . 1 1 142 142 VAL CG2 C 13 0.702 0.007 2.46E-11 5.77E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 58 . 1 1 145 145 MET CE C 13 0.224 0.009 7.53E-12 5.00E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 59 . 1 1 146 146 THR CG2 C 13 0.467 0.007 5.10E-11 5.98E-13 . . . . . . . . . . . . . . . . . . . . . 26667 1 60 . 1 1 147 147 ALA CB C 13 0.370 0.002 3.71E-11 2.84E-23 . . . . . . . . . . . . . . . . . . . . . 26667 1 stop_ save_ save_Backbone_Order_Parameters _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode Backbone_Order_Parameters _Order_parameter_list.Entry_ID 26667 _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 1 '15N T1,T2,NOE' . . . 26667 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 6 6 GLU N N 15 0.901 0.003 5.06E-09 4.96E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 2 . 1 1 7 7 GLU N N 15 0.914 0.005 7.65E-09 5.95E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 3 . 1 1 9 9 ILE N N 15 0.938 0.002 2.87E-09 3.39E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 4 . 1 1 10 10 ALA N N 15 0.949 0.001 4.27E-09 1.33E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 5 . 1 1 12 12 PHE N N 15 0.954 0.002 3.79E-09 5.56E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 6 . 1 1 13 13 LYS N N 15 0.954 0.002 4.34E-09 2.95E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 7 . 1 1 14 14 GLU N N 15 0.933 0.001 4.63E-09 1.26E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 8 . 1 1 15 15 ALA N N 15 0.961 0.001 4.13E-09 1.28E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 9 . 1 1 16 16 PHE N N 15 0.977 0.002 3.97E-09 1.11E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 10 . 1 1 17 17 SER N N 15 0.964 0.002 3.78E-09 1.44E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 11 . 1 1 18 18 LEU N N 15 0.962 0.001 4.29E-09 8.61E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 12 . 1 1 20 20 ASP N N 15 0.936 0.001 4.06E-09 8.36E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 13 . 1 1 21 21 LYS N N 15 0.906 0.005 1.30E-09 1.02E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 14 . 1 1 22 22 ASP N N 15 0.904 0.005 8.16E-09 5.08E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 15 . 1 1 24 24 ASP N N 15 0.948 0.003 8.80E-09 5.08E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 16 . 1 1 26 26 THR N N 15 0.943 0.001 4.67E-09 2.02E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 17 . 1 1 27 27 ILE N N 15 0.955 0.003 2.60E-09 4.11E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 18 . 1 1 28 28 THR N N 15 0.951 0.003 4.60E-09 4.59E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 19 . 1 1 29 29 THR N N 15 0.918 0.003 9.20E-09 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26667 2 20 . 1 1 30 30 LYS N N 15 0.925 0.004 8.53E-09 6.21E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 21 . 1 1 31 31 GLU N N 15 0.925 0.004 4.48E-09 3.30E-09 . . . . . . . . . . . . . . . . . . . . . 26667 2 22 . 1 1 32 32 LEU N N 15 0.948 0.003 5.51E-09 4.84E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 23 . 1 1 33 33 GLY N N 15 0.912 0.003 9.20E-09 2.93E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 24 . 1 1 35 35 VAL N N 15 0.923 0.002 9.20E-09 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26667 2 25 . 1 1 37 37 ARG N N 15 0.924 0.004 7.56E-09 5.25E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 26 . 1 1 39 39 LEU N N 15 0.919 0.003 4.91E-09 3.79E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 27 . 1 1 41 41 GLN N N 15 0.925 0.002 2.78E-09 4.16E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 28 . 1 1 42 42 ASN N N 15 0.782 0.006 1.01E-09 4.94E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 29 . 1 1 45 45 GLU N N 15 0.923 0.002 9.20E-09 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26667 2 30 . 1 1 46 46 ALA N N 15 0.908 0.003 8.22E-09 3.28E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 31 . 1 1 48 48 LEU N N 15 0.910 0.003 9.07E-09 2.44E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 32 . 1 1 52 52 ILE N N 15 0.929 0.003 7.47E-09 5.16E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 33 . 1 1 54 54 GLU N N 15 0.930 0.004 6.83E-09 1.07E-09 . . . . . . . . . . . . . . . . . . . . . 26667 2 34 . 1 1 56 56 ASP N N 15 0.926 0.004 4.35E-09 3.44E-09 . . . . . . . . . . . . . . . . . . . . . 26667 2 35 . 1 1 57 57 ALA N N 15 0.746 0.003 4.84E-10 1.23E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 36 . 1 1 58 58 ASP N N 15 0.894 0.003 9.05E-09 2.52E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 37 . 1 1 61 61 GLY N N 15 0.926 0.003 8.35E-09 4.69E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 38 . 1 1 63 63 ILE N N 15 0.961 0.002 3.16E-09 5.34E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 39 . 1 1 64 64 ASP N N 15 0.944 0.004 4.51E-09 1.27E-09 . . . . . . . . . . . . . . . . . . . . . 26667 2 40 . 1 1 65 65 PHE N N 15 0.952 0.002 3.85E-09 1.61E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 41 . 1 1 68 68 PHE N N 15 0.941 0.005 8.39E-09 9.10E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 42 . 1 1 69 69 LEU N N 15 0.948 0.004 8.86E-09 5.81E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 43 . 1 1 70 70 THR N N 15 0.898 0.006 1.70E-09 2.03E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 44 . 1 1 71 71 MET N N 15 0.943 0.002 4.32E-09 1.10E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 45 . 1 1 72 72 MET N N 15 0.946 0.002 4.30E-09 1.38E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 46 . 1 1 73 73 ALA N N 15 0.931 0.002 4.32E-09 1.70E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 47 . 1 1 74 74 ARG N N 15 0.909 0.002 5.41E-09 2.69E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 48 . 1 1 77 77 LYS N N 15 0.761 0.007 6.59E-09 2.95E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 49 . 1 1 78 78 ASP N N 15 0.633 0.022 7.62E-09 3.18E-09 . . . . . . . . . . . . . . . . . . . . . 26667 2 50 . 1 1 79 79 THR N N 15 0.635 0.001 9.20E-09 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26667 2 51 . 1 1 80 80 ASP N N 15 0.691 0.002 9.15E-09 6.36E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 52 . 1 1 81 81 SER N N 15 0.767 0.006 8.92E-10 3.56E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 53 . 1 1 82 82 GLU N N 15 0.802 0.002 9.20E-09 0.00E+00 . . . . . . . . . . . . . . . . . . . . . 26667 2 54 . 1 1 83 83 GLU N N 15 0.865 0.002 3.86E-09 3.87E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 55 . 1 1 86 86 ARG N N 15 0.953 0.002 3.39E-09 4.44E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 56 . 1 1 89 89 PHE N N 15 0.848 0.005 7.32E-10 3.66E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 57 . 1 1 90 90 ARG N N 15 0.834 0.004 5.07E-10 2.39E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 58 . 1 1 91 91 VAL N N 15 0.969 0.002 3.09E-09 1.18E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 59 . 1 1 93 93 ASP N N 15 0.951 0.001 3.00E-09 8.37E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 60 . 1 1 95 95 ASP N N 15 0.903 0.002 9.10E-09 1.19E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 61 . 1 1 96 96 GLY N N 15 0.918 0.005 8.29E-09 6.01E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 62 . 1 1 99 99 TYR N N 15 0.939 0.004 7.01E-09 1.56E-09 . . . . . . . . . . . . . . . . . . . . . 26667 2 63 . 1 1 100 100 ILE N N 15 0.886 0.004 1.03E-09 5.88E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 64 . 1 1 101 101 SER N N 15 0.951 0.004 5.20E-09 1.11E-09 . . . . . . . . . . . . . . . . . . . . . 26667 2 65 . 1 1 102 102 ALA N N 15 0.930 0.004 1.11E-09 8.53E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 66 . 1 1 105 105 LEU N N 15 0.945 0.003 4.60E-09 6.34E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 67 . 1 1 109 109 MET N N 15 0.926 0.001 3.79E-09 2.58E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 68 . 1 1 110 110 THR N N 15 0.902 0.002 4.17E-09 2.32E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 69 . 1 1 114 114 GLU N N 15 0.856 0.009 5.79E-09 2.26E-09 . . . . . . . . . . . . . . . . . . . . . 26667 2 70 . 1 1 115 115 LYS N N 15 0.704 0.011 2.69E-09 9.18E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 71 . 1 1 116 116 LEU N N 15 0.614 0.004 8.60E-10 1.80E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 72 . 1 1 117 117 THR N N 15 0.814 0.004 1.01E-09 3.16E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 73 . 1 1 118 118 ASP N N 15 0.926 0.003 2.07E-09 1.81E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 74 . 1 1 119 119 GLU N N 15 0.921 0.002 4.48E-09 3.74E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 75 . 1 1 121 121 VAL N N 15 0.928 0.001 3.69E-09 3.88E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 76 . 1 1 125 125 ILE N N 15 0.942 0.001 3.59E-09 4.54E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 77 . 1 1 127 127 GLU N N 15 0.965 0.001 3.89E-09 2.01E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 78 . 1 1 128 128 ALA N N 15 0.936 0.002 3.67E-09 3.96E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 79 . 1 1 129 129 ASP N N 15 0.950 0.001 3.61E-09 3.45E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 80 . 1 1 130 130 ILE N N 15 0.656 0.003 3.53E-10 7.57E-12 . . . . . . . . . . . . . . . . . . . . . 26667 2 81 . 1 1 131 131 ASP N N 15 0.905 0.004 7.87E-09 4.70E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 82 . 1 1 133 133 ASP N N 15 0.898 0.002 6.62E-10 2.46E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 83 . 1 1 134 134 GLY N N 15 0.932 0.004 4.89E-09 1.94E-09 . . . . . . . . . . . . . . . . . . . . . 26667 2 84 . 1 1 135 135 GLN N N 15 0.942 0.002 5.12E-09 4.57E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 85 . 1 1 136 136 VAL N N 15 0.928 0.004 1.66E-09 1.96E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 86 . 1 1 137 137 ASN N N 15 0.929 0.006 6.01E-09 1.78E-09 . . . . . . . . . . . . . . . . . . . . . 26667 2 87 . 1 1 140 140 GLU N N 15 0.927 0.003 7.11E-09 6.00E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 88 . 1 1 141 141 PHE N N 15 0.911 0.003 9.10E-09 4.35E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 89 . 1 1 142 142 VAL N N 15 0.937 0.001 4.23E-09 8.47E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 90 . 1 1 143 143 GLN N N 15 0.924 0.002 5.18E-09 1.91E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 91 . 1 1 145 145 MET N N 15 0.922 0.002 3.94E-09 3.59E-11 . . . . . . . . . . . . . . . . . . . . . 26667 2 92 . 1 1 147 147 ALA N N 15 0.743 0.003 5.66E-09 1.60E-10 . . . . . . . . . . . . . . . . . . . . . 26667 2 stop_ save_