NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
30913 | 1diu | cing | 2-parsed | STAR | distance | NOE | simple | 103 |
data_1diu_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1diu _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project" NMR . parsed_1diu 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1diu _Entry.Title "Original constraint list(s)" _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination . _Entry.NMR_STAR_version 3.1 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1diu "Master copy" parsed_1diu stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1diu _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1diu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1diu 1 1 1diu.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 parsed_1diu 1 1 1diu.mr . . DISCOVER 3 stereochemistry chirality "Not applicable" 0 parsed_1diu 1 1 1diu.mr . . DISCOVER 4 distance NOE simple 103 parsed_1diu 1 1 1diu.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1diu 1 1 1diu.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1diu 1 stop_ save_ save_Discover_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1diu _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_1diu 1 2 1 . . . parsed_1diu 1 3 1 . . . parsed_1diu 1 4 1 . . . parsed_1diu 1 5 1 . . . parsed_1diu 1 6 1 . . . parsed_1diu 1 7 1 . . . parsed_1diu 1 8 1 . . . parsed_1diu 1 9 1 . . . parsed_1diu 1 10 1 . . . parsed_1diu 1 11 1 . . . parsed_1diu 1 12 1 . . . parsed_1diu 1 13 1 . . . parsed_1diu 1 14 1 . . . parsed_1diu 1 15 1 . . . parsed_1diu 1 16 1 . . . parsed_1diu 1 17 1 . . . parsed_1diu 1 18 1 . . . parsed_1diu 1 19 1 . . . parsed_1diu 1 20 1 . . . parsed_1diu 1 21 1 . . . parsed_1diu 1 22 1 . . . parsed_1diu 1 23 1 . . . parsed_1diu 1 24 1 . . . parsed_1diu 1 25 1 . . . parsed_1diu 1 26 1 . . . parsed_1diu 1 27 1 . . . parsed_1diu 1 28 1 . . . parsed_1diu 1 29 1 . . . parsed_1diu 1 30 1 . . . parsed_1diu 1 31 1 . . . parsed_1diu 1 32 1 . . . parsed_1diu 1 33 1 . . . parsed_1diu 1 34 1 . . . parsed_1diu 1 35 1 . . . parsed_1diu 1 36 1 . . . parsed_1diu 1 37 1 . . . parsed_1diu 1 38 1 . . . parsed_1diu 1 39 1 . . . parsed_1diu 1 40 1 . . . parsed_1diu 1 41 1 . . . parsed_1diu 1 42 1 . . . parsed_1diu 1 43 1 . . . parsed_1diu 1 44 1 . . . parsed_1diu 1 45 1 . . . parsed_1diu 1 46 1 . . . parsed_1diu 1 47 1 . . . parsed_1diu 1 48 1 . . . parsed_1diu 1 49 1 . . . parsed_1diu 1 50 1 . . . parsed_1diu 1 51 1 . . . parsed_1diu 1 52 1 . . . parsed_1diu 1 53 1 . . . parsed_1diu 1 54 1 . . . parsed_1diu 1 55 1 . . . parsed_1diu 1 56 1 . . . parsed_1diu 1 57 1 . . . parsed_1diu 1 58 1 . . . parsed_1diu 1 59 1 . . . parsed_1diu 1 60 1 . . . parsed_1diu 1 61 1 . . . parsed_1diu 1 62 1 . . . parsed_1diu 1 63 1 . . . parsed_1diu 1 64 1 . . . parsed_1diu 1 65 1 . . . parsed_1diu 1 66 1 . . . parsed_1diu 1 67 1 . . . parsed_1diu 1 68 1 . . . parsed_1diu 1 69 1 . . . parsed_1diu 1 70 1 . . . parsed_1diu 1 71 1 . . . parsed_1diu 1 72 1 . . . parsed_1diu 1 73 1 . . . parsed_1diu 1 74 1 . . . parsed_1diu 1 75 1 . . . parsed_1diu 1 76 1 . . . parsed_1diu 1 77 1 . . . parsed_1diu 1 78 1 . . . parsed_1diu 1 79 1 . . . parsed_1diu 1 80 1 . . . parsed_1diu 1 81 1 . . . parsed_1diu 1 82 1 . . . parsed_1diu 1 83 1 . . . parsed_1diu 1 84 1 . . . parsed_1diu 1 85 1 . . . parsed_1diu 1 86 1 . . . parsed_1diu 1 87 1 . . . parsed_1diu 1 88 1 . . . parsed_1diu 1 89 1 . . . parsed_1diu 1 90 1 . . . parsed_1diu 1 91 1 . . . parsed_1diu 1 92 1 . . . parsed_1diu 1 93 1 . . . parsed_1diu 1 94 1 . . . parsed_1diu 1 95 1 . . . parsed_1diu 1 96 1 . . . parsed_1diu 1 97 1 . . . parsed_1diu 1 98 1 . . . parsed_1diu 1 99 1 . . . parsed_1diu 1 100 1 . . . parsed_1diu 1 101 1 . . . parsed_1diu 1 102 1 . . . parsed_1diu 1 103 1 . . . parsed_1diu 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . 1 170 DAP H2* parsed_1diu 1 1 1 2 . . . . . . . . 1 6 ALA HB* parsed_1diu 1 2 1 1 . . . . . . . . 1 170 DAP H2* parsed_1diu 1 2 1 2 . . . . . . . . 1 116 THR HG1 parsed_1diu 1 3 1 1 . . . . . . . . 1 170 DAP H4* parsed_1diu 1 3 1 2 . . . . . . . . 1 5 TRP HA parsed_1diu 1 4 1 1 . . . . . . . . 1 170 DAP H4* parsed_1diu 1 4 1 2 . . . . . . . . 1 6 ALA HB* parsed_1diu 1 5 1 1 . . . . . . . . 1 170 DAP H4* parsed_1diu 1 5 1 2 . . . . . . . . 1 4 LEU HG parsed_1diu 1 6 1 1 . . . . . . . . 1 170 DAP H6 parsed_1diu 1 6 1 2 . . . . . . . . 1 19 LEU HD1* parsed_1diu 1 7 1 1 . . . . . . . . 1 170 DAP H6 parsed_1diu 1 7 1 2 . . . . . . . . 1 19 LEU HD2* parsed_1diu 1 8 1 1 . . . . . . . . 1 170 DAP H6 parsed_1diu 1 8 1 2 . . . . . . . . 1 27 LEU HA parsed_1diu 1 9 1 1 . . . . . . . . 1 170 DAP H6 parsed_1diu 1 9 1 2 . . . . . . . . 1 27 LEU HG parsed_1diu 1 10 1 1 . . . . . . . . 1 171 MEP H2 parsed_1diu 1 10 1 2 . . . . . . . . 1 49 PHE HE* parsed_1diu 1 11 1 1 . . . . . . . . 1 171 MEP H2 parsed_1diu 1 11 1 2 . . . . . . . . 1 49 PHE HD* parsed_1diu 1 12 1 1 . . . . . . . . 1 171 MEP H2 parsed_1diu 1 12 1 2 . . . . . . . . 1 30 PHE HE* parsed_1diu 1 13 1 1 . . . . . . . . 1 171 MEP H2 parsed_1diu 1 13 1 2 . . . . . . . . 1 27 LEU HD2* parsed_1diu 1 14 1 1 . . . . . . . . 1 171 MEP H6 parsed_1diu 1 14 1 2 . . . . . . . . 1 19 LEU HD1* parsed_1diu 1 15 1 1 . . . . . . . . 1 171 MEP H6 parsed_1diu 1 15 1 2 . . . . . . . . 1 19 LEU HD2* parsed_1diu 1 16 1 1 . . . . . . . . 1 171 MEP H6 parsed_1diu 1 16 1 2 . . . . . . . . 1 19 LEU HG parsed_1diu 1 17 1 1 . . . . . . . . 1 171 MEP HM5* parsed_1diu 1 17 1 2 . . . . . . . . 1 19 LEU HD1* parsed_1diu 1 18 1 1 . . . . . . . . 1 171 MEP HM5* parsed_1diu 1 18 1 2 . . . . . . . . 1 19 LEU HD2* parsed_1diu 1 19 1 1 . . . . . . . . 1 171 MEP HM5* parsed_1diu 1 19 1 2 . . . . . . . . 1 19 LEU HG parsed_1diu 1 20 1 1 . . . . . . . . 1 171 MEP HM5* parsed_1diu 1 20 1 2 . . . . . . . . 1 49 PHE HA parsed_1diu 1 21 1 1 . . . . . . . . 1 171 MEP HM5* parsed_1diu 1 21 1 2 . . . . . . . . 1 49 PHE HE* parsed_1diu 1 22 1 1 . . . . . . . . 1 172 DIC H11 parsed_1diu 1 22 1 2 . . . . . . . . 1 54 LEU HD1* parsed_1diu 1 23 1 1 . . . . . . . . 1 172 DIC H12 parsed_1diu 1 23 1 2 . . . . . . . . 1 54 LEU HD1* parsed_1diu 1 24 1 1 . . . . . . . . 1 172 DIC H11 parsed_1diu 1 24 1 2 . . . . . . . . 1 27 LEU HD2* parsed_1diu 1 25 1 1 . . . . . . . . 1 172 DIC H12 parsed_1diu 1 25 1 2 . . . . . . . . 1 27 LEU HD2* parsed_1diu 1 26 1 1 . . . . . . . . 1 171 MEP HM5* parsed_1diu 1 26 1 2 . . . . . . . . 1 45 THR HA parsed_1diu 1 27 1 1 . . . . . . . . 1 172 DIC H12 parsed_1diu 1 27 1 2 . . . . . . . . 1 49 PHE HE* parsed_1diu 1 28 1 1 . . . . . . . . 1 170 DAP H1 parsed_1diu 1 28 1 2 . . . . . . . . 1 30 PHE HD* parsed_1diu 1 29 1 1 . . . . . . . . 1 170 DAP H1 parsed_1diu 1 29 1 2 . . . . . . . . 1 29 TYR HD* parsed_1diu 1 30 1 1 . . . . . . . . 1 170 DAP H1 parsed_1diu 1 30 1 2 . . . . . . . . 1 116 THR HG1 parsed_1diu 1 31 1 1 . . . . . . . . 1 170 DAP H1 parsed_1diu 1 31 1 2 . . . . . . . . 1 6 ALA HB* parsed_1diu 1 32 1 1 . . . . . . . . 1 170 DAP H71 parsed_1diu 1 32 1 2 . . . . . . . . 1 171 MEP H2 parsed_1diu 1 33 1 1 . . . . . . . . 1 170 DAP H72 parsed_1diu 1 33 1 2 . . . . . . . . 1 171 MEP H2 parsed_1diu 1 34 1 1 . . . . . . . . 1 170 DAP H71 parsed_1diu 1 34 1 2 . . . . . . . . 1 171 MEP H6 parsed_1diu 1 35 1 1 . . . . . . . . 1 170 DAP H72 parsed_1diu 1 35 1 2 . . . . . . . . 1 171 MEP H6 parsed_1diu 1 36 1 1 . . . . . . . . 1 171 MEP HM5* parsed_1diu 1 36 1 2 . . . . . . . . 1 171 MEP H6 parsed_1diu 1 37 1 1 . . . . . . . . 1 171 MEP H2 parsed_1diu 1 37 1 2 . . . . . . . . 1 172 DIC H11 parsed_1diu 1 38 1 1 . . . . . . . . 1 171 MEP H2 parsed_1diu 1 38 1 2 . . . . . . . . 1 172 DIC H12 parsed_1diu 1 39 1 1 . . . . . . . . 1 49 PHE HE* parsed_1diu 1 39 1 2 . . . . . . . . 1 54 LEU HD1* parsed_1diu 1 40 1 1 . . . . . . . . 1 49 PHE HE* parsed_1diu 1 40 1 2 . . . . . . . . 1 54 LEU HD2* parsed_1diu 1 41 1 1 . . . . . . . . 1 49 PHE HE* parsed_1diu 1 41 1 2 . . . . . . . . 1 54 LEU HG parsed_1diu 1 42 1 1 . . . . . . . . 1 49 PHE HE* parsed_1diu 1 42 1 2 . . . . . . . . 1 41 VAL HG1* parsed_1diu 1 43 1 1 . . . . . . . . 1 49 PHE HE* parsed_1diu 1 43 1 2 . . . . . . . . 1 41 VAL HG2* parsed_1diu 1 44 1 1 . . . . . . . . 1 49 PHE HE* parsed_1diu 1 44 1 2 . . . . . . . . 1 45 THR HG2* parsed_1diu 1 45 1 1 . . . . . . . . 1 49 PHE HE* parsed_1diu 1 45 1 2 . . . . . . . . 1 39 MET HE* parsed_1diu 1 46 1 1 . . . . . . . . 1 49 PHE HD* parsed_1diu 1 46 1 2 . . . . . . . . 1 54 LEU HD1* parsed_1diu 1 47 1 1 . . . . . . . . 1 49 PHE HD* parsed_1diu 1 47 1 2 . . . . . . . . 1 54 LEU HG parsed_1diu 1 48 1 1 . . . . . . . . 1 49 PHE HD* parsed_1diu 1 48 1 2 . . . . . . . . 1 41 VAL HG2* parsed_1diu 1 49 1 1 . . . . . . . . 1 49 PHE HZ parsed_1diu 1 49 1 2 . . . . . . . . 1 39 MET HE* parsed_1diu 1 50 1 1 . . . . . . . . 1 30 PHE HE* parsed_1diu 1 50 1 2 . . . . . . . . 1 54 LEU HD1* parsed_1diu 1 51 1 1 . . . . . . . . 1 30 PHE HE* parsed_1diu 1 51 1 2 . . . . . . . . 1 34 THR HG2* parsed_1diu 1 52 1 1 . . . . . . . . 1 30 PHE HE* parsed_1diu 1 52 1 2 . . . . . . . . 1 97 ALA HB* parsed_1diu 1 53 1 1 . . . . . . . . 1 30 PHE HD* parsed_1diu 1 53 1 2 . . . . . . . . 1 54 LEU HD1* parsed_1diu 1 54 1 1 . . . . . . . . 1 30 PHE HZ parsed_1diu 1 54 1 2 . . . . . . . . 1 54 LEU HD1* parsed_1diu 1 55 1 1 . . . . . . . . 1 30 PHE HZ parsed_1diu 1 55 1 2 . . . . . . . . 1 97 ALA HB* parsed_1diu 1 56 1 1 . . . . . . . . 1 19 LEU HD2* parsed_1diu 1 56 1 2 . . . . . . . . 1 21 TRP HE1 parsed_1diu 1 57 1 1 . . . . . . . . 1 19 LEU HD2* parsed_1diu 1 57 1 2 . . . . . . . . 1 27 LEU HD1* parsed_1diu 1 58 1 1 . . . . . . . . 1 19 LEU HD1* parsed_1diu 1 58 1 2 . . . . . . . . 1 27 LEU HD1* parsed_1diu 1 59 1 1 . . . . . . . . 1 19 LEU HD1* parsed_1diu 1 59 1 2 . . . . . . . . 1 21 TRP HD1 parsed_1diu 1 60 1 1 . . . . . . . . 1 57 ARG+ HE parsed_1diu 1 60 1 2 . . . . . . . . 1 54 LEU HG parsed_1diu 1 61 1 1 . . . . . . . . 1 57 ARG+ HE parsed_1diu 1 61 1 2 . . . . . . . . 1 54 LEU HB* parsed_1diu 1 62 1 1 . . . . . . . . 1 4 LEU HD1* parsed_1diu 1 62 1 2 . . . . . . . . 1 29 TYR HE* parsed_1diu 1 63 1 1 . . . . . . . . 1 4 LEU HD2* parsed_1diu 1 63 1 2 . . . . . . . . 1 39 MET HE* parsed_1diu 1 64 1 1 . . . . . . . . 1 4 LEU HD2* parsed_1diu 1 64 1 2 . . . . . . . . 1 34 THR HG2* parsed_1diu 1 65 1 1 . . . . . . . . 1 26 ASP- HB1 parsed_1diu 1 65 1 2 . . . . . . . . 1 23 LEU HD2* parsed_1diu 1 66 1 1 . . . . . . . . 1 26 ASP- HB2 parsed_1diu 1 66 1 2 . . . . . . . . 1 23 LEU HD2* parsed_1diu 1 67 1 1 . . . . . . . . 1 26 ASP- HB1 parsed_1diu 1 67 1 2 . . . . . . . . 1 27 LEU HN parsed_1diu 1 68 1 1 . . . . . . . . 1 26 ASP- HB2 parsed_1diu 1 68 1 2 . . . . . . . . 1 27 LEU HN parsed_1diu 1 69 1 1 . . . . . . . . 1 29 TYR HD* parsed_1diu 1 69 1 2 . . . . . . . . 1 33 GLN HG* parsed_1diu 1 70 1 1 . . . . . . . . 1 116 THR HG2* parsed_1diu 1 70 1 2 . . . . . . . . 1 153 HIS+ HD2 parsed_1diu 1 71 1 1 . . . . . . . . 1 116 THR HG2* parsed_1diu 1 71 1 2 . . . . . . . . 1 155 TYR HD* parsed_1diu 1 72 1 1 . . . . . . . . 1 116 THR HG2* parsed_1diu 1 72 1 2 . . . . . . . . 1 116 THR HG1 parsed_1diu 1 73 1 1 . . . . . . . . 1 116 THR HB parsed_1diu 1 73 1 2 . . . . . . . . 1 116 THR HG1 parsed_1diu 1 74 1 1 . . . . . . . . 1 172 DIC C6A parsed_1diu 1 74 1 2 . . . . . . . . 1 28 HIS+ CE1 parsed_1diu 1 75 1 1 . . . . . . . . 1 26 ASP- HN parsed_1diu 1 75 1 2 . . . . . . . . 1 27 LEU HN parsed_1diu 1 76 1 1 . . . . . . . . 1 27 LEU HN parsed_1diu 1 76 1 2 . . . . . . . . 1 28 HIS+ HN parsed_1diu 1 77 1 1 . . . . . . . . 1 28 HIS+ HN parsed_1diu 1 77 1 2 . . . . . . . . 1 29 TYR HN parsed_1diu 1 78 1 1 . . . . . . . . 1 29 TYR HN parsed_1diu 1 78 1 2 . . . . . . . . 1 30 PHE HN parsed_1diu 1 79 1 1 . . . . . . . . 1 30 PHE HN parsed_1diu 1 79 1 2 . . . . . . . . 1 31 ARG+ HN parsed_1diu 1 80 1 1 . . . . . . . . 1 31 ARG+ HN parsed_1diu 1 80 1 2 . . . . . . . . 1 32 ALA HN parsed_1diu 1 81 1 1 . . . . . . . . 1 32 ALA HN parsed_1diu 1 81 1 2 . . . . . . . . 1 33 GLN HN parsed_1diu 1 82 1 1 . . . . . . . . 1 33 GLN HN parsed_1diu 1 82 1 2 . . . . . . . . 1 34 THR HN parsed_1diu 1 83 1 1 . . . . . . . . 1 34 THR HN parsed_1diu 1 83 1 2 . . . . . . . . 1 35 VAL HN parsed_1diu 1 84 1 1 . . . . . . . . 1 26 ASP- HA parsed_1diu 1 84 1 2 . . . . . . . . 1 29 TYR HN parsed_1diu 1 85 1 1 . . . . . . . . 1 29 TYR HA parsed_1diu 1 85 1 2 . . . . . . . . 1 32 ALA HN parsed_1diu 1 86 1 1 . . . . . . . . 1 29 TYR HA parsed_1diu 1 86 1 2 . . . . . . . . 1 32 ALA HB* parsed_1diu 1 87 1 1 . . . . . . . . 1 32 ALA HA parsed_1diu 1 87 1 2 . . . . . . . . 1 35 VAL HA parsed_1diu 1 88 1 1 . . . . . . . . 1 35 VAL HA parsed_1diu 1 88 1 2 . . . . . . . . 1 36 GLY HN parsed_1diu 1 89 1 1 . . . . . . . . 1 30 PHE HZ parsed_1diu 1 89 1 2 . . . . . . . . 1 171 MEP H2 parsed_1diu 1 90 1 1 . . . . . . . . 1 170 DAP H1 parsed_1diu 1 90 1 2 . . . . . . . . 1 19 LEU HD1* parsed_1diu 1 91 1 1 . . . . . . . . 1 170 DAP H1 parsed_1diu 1 91 1 2 . . . . . . . . 1 19 LEU HD2* parsed_1diu 1 92 1 1 . . . . . . . . 1 170 DAP H1 parsed_1diu 1 92 1 2 . . . . . . . . 1 26 ASP- HB* parsed_1diu 1 93 1 1 . . . . . . . . 1 170 DAP H1 parsed_1diu 1 93 1 2 . . . . . . . . 1 27 LEU HD2* parsed_1diu 1 94 1 1 . . . . . . . . 1 170 DAP H1 parsed_1diu 1 94 1 2 . . . . . . . . 1 30 PHE HB* parsed_1diu 1 95 1 1 . . . . . . . . 1 170 DAP H1 parsed_1diu 1 95 1 2 . . . . . . . . 1 116 THR HB parsed_1diu 1 96 1 1 . . . . . . . . 1 39 MET HE* parsed_1diu 1 96 1 2 . . . . . . . . 1 54 LEU HD2* parsed_1diu 1 97 1 1 . . . . . . . . 1 39 MET HE* parsed_1diu 1 97 1 2 . . . . . . . . 1 54 LEU HG parsed_1diu 1 98 1 1 . . . . . . . . 1 57 ARG+ HE parsed_1diu 1 98 1 2 . . . . . . . . 1 35 VAL HA parsed_1diu 1 99 1 1 . . . . . . . . 1 30 PHE HN parsed_1diu 1 99 1 2 . . . . . . . . 1 27 LEU HA parsed_1diu 1 100 1 1 . . . . . . . . 1 30 PHE HN parsed_1diu 1 100 1 2 . . . . . . . . 1 29 TYR HB* parsed_1diu 1 101 1 1 . . . . . . . . 1 30 PHE HN parsed_1diu 1 101 1 2 . . . . . . . . 1 29 TYR HD* parsed_1diu 1 102 1 1 . . . . . . . . 1 155 TYR HE1 parsed_1diu 1 102 1 2 . . . . . . . . 1 26 ASP- HA parsed_1diu 1 103 1 1 . . . . . . . . 1 28 HIS+ HD2 parsed_1diu 1 103 1 2 . . . . . . . . 1 25 ASP- HA parsed_1diu 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 0.000 1.800 5.000 parsed_1diu 1 2 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 3 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 4 1 . . . . . 0.000 1.800 5.000 parsed_1diu 1 5 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 6 1 . . . . . 0.000 1.800 3.500 parsed_1diu 1 7 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 8 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 9 1 . . . . . 0.000 1.800 3.000 parsed_1diu 1 10 1 . . . . . 0.000 1.800 6.400 parsed_1diu 1 11 1 . . . . . 0.000 1.800 5.400 parsed_1diu 1 12 1 . . . . . 0.000 1.800 6.400 parsed_1diu 1 13 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 14 1 . . . . . 0.000 1.800 3.500 parsed_1diu 1 15 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 16 1 . . . . . 0.000 1.800 3.000 parsed_1diu 1 17 1 . . . . . 0.000 1.800 4.500 parsed_1diu 1 18 1 . . . . . 0.000 1.800 6.000 parsed_1diu 1 19 1 . . . . . 0.000 1.800 3.500 parsed_1diu 1 20 1 . . . . . 0.000 1.800 3.500 parsed_1diu 1 21 1 . . . . . 0.000 1.800 6.400 parsed_1diu 1 22 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 23 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 24 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 25 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 26 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 27 1 . . . . . 0.000 1.800 5.400 parsed_1diu 1 28 1 . . . . . 0.000 1.800 6.400 parsed_1diu 1 29 1 . . . . . 0.000 1.800 6.400 parsed_1diu 1 30 1 . . . . . 0.000 1.800 5.000 parsed_1diu 1 31 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 32 1 . . . . . 0.000 1.800 4.240 parsed_1diu 1 33 1 . . . . . 0.000 1.800 4.240 parsed_1diu 1 34 1 . . . . . 0.000 1.800 3.470 parsed_1diu 1 35 1 . . . . . 0.000 1.800 3.550 parsed_1diu 1 36 1 . . . . . 0.000 1.800 4.260 parsed_1diu 1 37 1 . . . . . 0.000 1.800 3.340 parsed_1diu 1 38 1 . . . . . 0.000 1.800 3.250 parsed_1diu 1 39 1 . . . . . 0.000 1.800 6.400 parsed_1diu 1 40 1 . . . . . 0.000 1.800 6.400 parsed_1diu 1 41 1 . . . . . 0.000 1.800 5.400 parsed_1diu 1 42 1 . . . . . 0.000 1.800 6.400 parsed_1diu 1 43 1 . . . . . 0.000 1.800 6.400 parsed_1diu 1 44 1 . . . . . 0.000 1.800 6.400 parsed_1diu 1 45 1 . . . . . 0.000 1.800 5.900 parsed_1diu 1 46 1 . . . . . 0.000 1.800 7.400 parsed_1diu 1 47 1 . . . . . 0.000 1.800 4.900 parsed_1diu 1 48 1 . . . . . 0.000 1.800 5.900 parsed_1diu 1 49 1 . . . . . 0.000 1.800 5.500 parsed_1diu 1 50 1 . . . . . 0.000 1.800 6.400 parsed_1diu 1 51 1 . . . . . 0.000 1.800 6.400 parsed_1diu 1 52 1 . . . . . 0.000 1.800 5.900 parsed_1diu 1 53 1 . . . . . 0.000 1.800 6.400 parsed_1diu 1 54 1 . . . . . 0.000 1.800 7.000 parsed_1diu 1 55 1 . . . . . 0.000 1.800 5.500 parsed_1diu 1 56 1 . . . . . 0.000 1.800 5.000 parsed_1diu 1 57 1 . . . . . 0.000 1.800 5.000 parsed_1diu 1 58 1 . . . . . 0.000 1.800 4.500 parsed_1diu 1 59 1 . . . . . 0.000 1.800 5.000 parsed_1diu 1 60 1 . . . . . 0.000 1.800 3.000 parsed_1diu 1 61 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 62 1 . . . . . 0.000 1.800 6.400 parsed_1diu 1 63 1 . . . . . 0.000 1.800 4.500 parsed_1diu 1 64 1 . . . . . 0.000 1.800 4.500 parsed_1diu 1 65 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 66 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 67 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 68 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 69 1 . . . . . 0.000 1.800 6.400 parsed_1diu 1 70 1 . . . . . 0.000 1.800 5.500 parsed_1diu 1 71 1 . . . . . 0.000 1.800 5.900 parsed_1diu 1 72 1 . . . . . 0.000 1.800 3.500 parsed_1diu 1 73 1 . . . . . 0.000 1.800 3.000 parsed_1diu 1 74 1 . . . . . 0.000 1.800 5.000 parsed_1diu 1 75 1 . . . . . 0.000 1.800 2.900 parsed_1diu 1 76 1 . . . . . 0.000 1.800 2.900 parsed_1diu 1 77 1 . . . . . 0.000 1.800 2.900 parsed_1diu 1 78 1 . . . . . 0.000 1.800 2.900 parsed_1diu 1 79 1 . . . . . 0.000 1.800 2.900 parsed_1diu 1 80 1 . . . . . 0.000 1.800 2.900 parsed_1diu 1 81 1 . . . . . 0.000 1.800 2.900 parsed_1diu 1 82 1 . . . . . 0.000 1.800 2.900 parsed_1diu 1 83 1 . . . . . 0.000 1.800 2.900 parsed_1diu 1 84 1 . . . . . 0.000 1.800 3.000 parsed_1diu 1 85 1 . . . . . 0.000 1.800 3.000 parsed_1diu 1 86 1 . . . . . 0.000 1.800 3.500 parsed_1diu 1 87 1 . . . . . 0.000 1.800 3.000 parsed_1diu 1 88 1 . . . . . 0.000 1.800 3.000 parsed_1diu 1 89 1 . . . . . 0.000 1.800 6.000 parsed_1diu 1 90 1 . . . . . 0.000 1.800 6.000 parsed_1diu 1 91 1 . . . . . 0.000 1.800 6.000 parsed_1diu 1 92 1 . . . . . 0.000 1.800 5.000 parsed_1diu 1 93 1 . . . . . 0.000 1.800 5.000 parsed_1diu 1 94 1 . . . . . 0.000 1.800 5.000 parsed_1diu 1 95 1 . . . . . 0.000 1.800 5.000 parsed_1diu 1 96 1 . . . . . 0.000 1.800 5.000 parsed_1diu 1 97 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 98 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 99 1 . . . . . 0.000 1.800 3.000 parsed_1diu 1 100 1 . . . . . 0.000 1.800 4.000 parsed_1diu 1 101 1 . . . . . 0.000 1.800 5.400 parsed_1diu 1 102 1 . . . . . 0.000 1.800 3.000 parsed_1diu 1 103 1 . . . . . 0.000 1.800 3.000 parsed_1diu 1 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 ; NOE_distance NOE restraints DAP: diaminopyrimidine ring MEP: methoxyphenyl ring DIC: dicarboxylate side chain DAP ring 19 MEP ring and DIC side chain 19 intraligand 7 protein-protein circa 40 protein backbone 16 DIC 6CO2- to HIS+ 28:based on pKa shift 1 dihedral chi-1 1 ; 1 1 15 51 parsed_1diu 1 stop_ save_
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