NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
45520 | 2e8d | 10022 | cing | 2-parsed | STAR | distance | general distance | simple | 111 |
data_2e8d_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2e8d _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_2e8d 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2e8d _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 2e8d "Master copy" parsed_2e8d stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2e8d _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 2e8d.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2e8d 1 1 2e8d.mr . . XPLOR/CNS 2 distance "general distance" simple 111 parsed_2e8d 1 1 2e8d.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2e8d 1 1 2e8d.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2e8d 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2e8d _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "general distance" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 2 _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_2e8d 1 2 1 . . . parsed_2e8d 1 3 1 . . . parsed_2e8d 1 4 1 . . . parsed_2e8d 1 5 1 . . . parsed_2e8d 1 6 1 . . . parsed_2e8d 1 7 1 . . . parsed_2e8d 1 8 1 . . . parsed_2e8d 1 9 1 . . . parsed_2e8d 1 10 1 . . . parsed_2e8d 1 11 1 . . . parsed_2e8d 1 12 1 . . . parsed_2e8d 1 13 1 . . . parsed_2e8d 1 14 1 . . . parsed_2e8d 1 15 1 . . . parsed_2e8d 1 16 1 . . . parsed_2e8d 1 17 1 . . . parsed_2e8d 1 18 1 . . . parsed_2e8d 1 19 1 . . . parsed_2e8d 1 20 1 . . . parsed_2e8d 1 21 1 . . . parsed_2e8d 1 22 1 . . . parsed_2e8d 1 23 1 . . . parsed_2e8d 1 24 1 . . . parsed_2e8d 1 25 1 . . . parsed_2e8d 1 26 1 . . . parsed_2e8d 1 27 1 . . . parsed_2e8d 1 28 1 . . . parsed_2e8d 1 29 1 . . . parsed_2e8d 1 30 1 . . . parsed_2e8d 1 31 1 . . . parsed_2e8d 1 32 1 . . . parsed_2e8d 1 33 1 . . . parsed_2e8d 1 34 1 . . . parsed_2e8d 1 35 1 . . . parsed_2e8d 1 36 1 . . . parsed_2e8d 1 37 1 . . . parsed_2e8d 1 38 1 . . . parsed_2e8d 1 39 1 . . . parsed_2e8d 1 40 1 . . . parsed_2e8d 1 41 1 . . . parsed_2e8d 1 42 1 . . . parsed_2e8d 1 43 1 . . . parsed_2e8d 1 44 1 . . . parsed_2e8d 1 45 1 . . . parsed_2e8d 1 46 1 . . . parsed_2e8d 1 47 1 . . . parsed_2e8d 1 48 1 . . . parsed_2e8d 1 49 1 . . . parsed_2e8d 1 50 1 . . . parsed_2e8d 1 51 1 . . . parsed_2e8d 1 52 1 . . . parsed_2e8d 1 53 1 . . . parsed_2e8d 1 54 1 . . . parsed_2e8d 1 55 1 . . . parsed_2e8d 1 56 1 . . . parsed_2e8d 1 57 1 . . . parsed_2e8d 1 58 1 . . . parsed_2e8d 1 59 1 . . . parsed_2e8d 1 60 1 . . . parsed_2e8d 1 61 1 . . . parsed_2e8d 1 62 1 . . . parsed_2e8d 1 63 1 . . . parsed_2e8d 1 64 1 . . . parsed_2e8d 1 65 1 . . . parsed_2e8d 1 66 1 . . . parsed_2e8d 1 67 1 . . . parsed_2e8d 1 68 1 . . . parsed_2e8d 1 69 1 . . . parsed_2e8d 1 70 1 . . . parsed_2e8d 1 71 1 . . . parsed_2e8d 1 72 1 . . . parsed_2e8d 1 73 1 . . . parsed_2e8d 1 74 1 . . . parsed_2e8d 1 75 1 . . . parsed_2e8d 1 76 1 . . . parsed_2e8d 1 77 1 . . . parsed_2e8d 1 78 1 . . . parsed_2e8d 1 79 1 . . . parsed_2e8d 1 80 1 . . . parsed_2e8d 1 81 1 . . . parsed_2e8d 1 82 1 . . . parsed_2e8d 1 83 1 . . . parsed_2e8d 1 84 1 . . . parsed_2e8d 1 85 1 . . . parsed_2e8d 1 86 1 . . . parsed_2e8d 1 87 1 . . . parsed_2e8d 1 88 1 . . . parsed_2e8d 1 89 1 . . . parsed_2e8d 1 90 1 . . . parsed_2e8d 1 91 1 . . . parsed_2e8d 1 92 1 . . . parsed_2e8d 1 93 1 . . . parsed_2e8d 1 94 1 . . . parsed_2e8d 1 95 1 . . . parsed_2e8d 1 96 1 . . . parsed_2e8d 1 97 1 . . . parsed_2e8d 1 98 1 . . . parsed_2e8d 1 99 1 . . . parsed_2e8d 1 100 1 . . . parsed_2e8d 1 101 1 . . . parsed_2e8d 1 102 1 . . . parsed_2e8d 1 103 1 . . . parsed_2e8d 1 104 1 . . . parsed_2e8d 1 105 1 . . . parsed_2e8d 1 106 1 . . . parsed_2e8d 1 107 1 . . . parsed_2e8d 1 108 1 . . . parsed_2e8d 1 109 1 . . . parsed_2e8d 1 110 1 . . . parsed_2e8d 1 111 1 . . . parsed_2e8d 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 . . . . . . . . . 3 . CA parsed_2e8d 1 1 1 2 . . . . . . . . . 4 . CD1# parsed_2e8d 1 2 1 1 . . . . . . . . . 3 . CE1# parsed_2e8d 1 2 1 2 . . . . . . . . . 5 . CA parsed_2e8d 1 3 1 1 . . . . . . . . . 3 . CZ parsed_2e8d 1 3 1 2 . . . . . . . . . 5 . CA parsed_2e8d 1 4 1 1 . . . . . . . . . 3 . CD2# parsed_2e8d 1 4 1 2 . . . . . . . . . 20 . CG parsed_2e8d 1 5 1 1 . . . . . . . . . 5 . CB parsed_2e8d 1 5 1 2 . . . . . . . . . 18 . CG1# parsed_2e8d 1 6 1 1 . . . . . . . . . 7 . CG parsed_2e8d 1 6 1 2 . . . . . . . . . 7 . C parsed_2e8d 1 7 1 1 . . . . . . . . . 7 . CD2# parsed_2e8d 1 7 1 2 . . . . . . . . . 8 . CA parsed_2e8d 1 8 1 1 . . . . . . . . . 11 . CE2# parsed_2e8d 1 8 1 2 . . . . . . . . . 16 . CG1# parsed_2e8d 1 9 1 1 . . . . . . . . . 17 . CA parsed_2e8d 1 9 1 2 . . . . . . . . . 18 . CG2# parsed_2e8d 1 10 1 1 . . . . . . . . . 18 . CA parsed_2e8d 1 10 1 2 . . . . . . . . . 17 . CG parsed_2e8d 1 11 1 1 . . . . . . . . . 18 . CG1# parsed_2e8d 1 11 1 2 . . . . . . . . . 19 . CA parsed_2e8d 1 12 1 1 . . . . . . . . . 19 . CA parsed_2e8d 1 12 1 2 . . . . . . . . . 20 . CD1# parsed_2e8d 1 13 1 1 . . . . . . . . . 25 . CA parsed_2e8d 1 13 1 2 . . . . . . . . . 26 . CD1# parsed_2e8d 1 14 1 1 . . . . . . . . . 25 . CE1# parsed_2e8d 1 14 1 2 . . . . . . . . . 27 . CA parsed_2e8d 1 15 1 1 . . . . . . . . . 25 . CZ parsed_2e8d 1 15 1 2 . . . . . . . . . 27 . CA parsed_2e8d 1 16 1 1 . . . . . . . . . 25 . CD2# parsed_2e8d 1 16 1 2 . . . . . . . . . 42 . CG parsed_2e8d 1 17 1 1 . . . . . . . . . 27 . CB parsed_2e8d 1 17 1 2 . . . . . . . . . 40 . CG1# parsed_2e8d 1 18 1 1 . . . . . . . . . 29 . CG parsed_2e8d 1 18 1 2 . . . . . . . . . 29 . C parsed_2e8d 1 19 1 1 . . . . . . . . . 29 . CD2# parsed_2e8d 1 19 1 2 . . . . . . . . . 30 . CA parsed_2e8d 1 20 1 1 . . . . . . . . . 33 . CE2# parsed_2e8d 1 20 1 2 . . . . . . . . . 38 . CG1# parsed_2e8d 1 21 1 1 . . . . . . . . . 39 . CA parsed_2e8d 1 21 1 2 . . . . . . . . . 40 . CG2# parsed_2e8d 1 22 1 1 . . . . . . . . . 40 . CA parsed_2e8d 1 22 1 2 . . . . . . . . . 39 . CG parsed_2e8d 1 23 1 1 . . . . . . . . . 40 . CG1# parsed_2e8d 1 23 1 2 . . . . . . . . . 41 . CA parsed_2e8d 1 24 1 1 . . . . . . . . . 41 . CA parsed_2e8d 1 24 1 2 . . . . . . . . . 42 . CD1# parsed_2e8d 1 25 1 1 . . . . . . . . . 47 . CA parsed_2e8d 1 25 1 2 . . . . . . . . . 48 . CD1# parsed_2e8d 1 26 1 1 . . . . . . . . . 47 . CE1# parsed_2e8d 1 26 1 2 . . . . . . . . . 49 . CA parsed_2e8d 1 27 1 1 . . . . . . . . . 47 . CZ parsed_2e8d 1 27 1 2 . . . . . . . . . 49 . CA parsed_2e8d 1 28 1 1 . . . . . . . . . 47 . CD2# parsed_2e8d 1 28 1 2 . . . . . . . . . 64 . CG parsed_2e8d 1 29 1 1 . . . . . . . . . 49 . CB parsed_2e8d 1 29 1 2 . . . . . . . . . 62 . CG1# parsed_2e8d 1 30 1 1 . . . . . . . . . 51 . CG parsed_2e8d 1 30 1 2 . . . . . . . . . 51 . C parsed_2e8d 1 31 1 1 . . . . . . . . . 51 . CD2# parsed_2e8d 1 31 1 2 . . . . . . . . . 52 . CA parsed_2e8d 1 32 1 1 . . . . . . . . . 55 . CE2# parsed_2e8d 1 32 1 2 . . . . . . . . . 60 . CG1# parsed_2e8d 1 33 1 1 . . . . . . . . . 61 . CA parsed_2e8d 1 33 1 2 . . . . . . . . . 62 . CG2# parsed_2e8d 1 34 1 1 . . . . . . . . . 62 . CA parsed_2e8d 1 34 1 2 . . . . . . . . . 61 . CG parsed_2e8d 1 35 1 1 . . . . . . . . . 62 . CG1# parsed_2e8d 1 35 1 2 . . . . . . . . . 63 . CA parsed_2e8d 1 36 1 1 . . . . . . . . . 63 . CA parsed_2e8d 1 36 1 2 . . . . . . . . . 64 . CD1# parsed_2e8d 1 37 1 1 . . . . . . . . . 69 . CA parsed_2e8d 1 37 1 2 . . . . . . . . . 70 . CD1# parsed_2e8d 1 38 1 1 . . . . . . . . . 69 . CE1# parsed_2e8d 1 38 1 2 . . . . . . . . . 71 . CA parsed_2e8d 1 39 1 1 . . . . . . . . . 69 . CZ parsed_2e8d 1 39 1 2 . . . . . . . . . 71 . CA parsed_2e8d 1 40 1 1 . . . . . . . . . 69 . CD2# parsed_2e8d 1 40 1 2 . . . . . . . . . 86 . CG parsed_2e8d 1 41 1 1 . . . . . . . . . 71 . CB parsed_2e8d 1 41 1 2 . . . . . . . . . 84 . CG1# parsed_2e8d 1 42 1 1 . . . . . . . . . 73 . CG parsed_2e8d 1 42 1 2 . . . . . . . . . 71 . C parsed_2e8d 1 43 1 1 . . . . . . . . . 73 . CD2# parsed_2e8d 1 43 1 2 . . . . . . . . . 74 . CA parsed_2e8d 1 44 1 1 . . . . . . . . . 77 . CE2# parsed_2e8d 1 44 1 2 . . . . . . . . . 82 . CG1# parsed_2e8d 1 45 1 1 . . . . . . . . . 83 . CA parsed_2e8d 1 45 1 2 . . . . . . . . . 84 . CG2# parsed_2e8d 1 46 1 1 . . . . . . . . . 84 . CA parsed_2e8d 1 46 1 2 . . . . . . . . . 83 . CG parsed_2e8d 1 47 1 1 . . . . . . . . . 84 . CG1# parsed_2e8d 1 47 1 2 . . . . . . . . . 85 . CA parsed_2e8d 1 48 1 1 . . . . . . . . . 85 . CA parsed_2e8d 1 48 1 2 . . . . . . . . . 86 . CD1# parsed_2e8d 1 49 1 1 . . . . . . . . . 3 . CZ parsed_2e8d 1 49 1 2 . . . . . . . . . 42 . CD1# parsed_2e8d 1 50 1 1 . . . . . . . . . 3 . CZ parsed_2e8d 1 50 1 2 . . . . . . . . . 42 . CG parsed_2e8d 1 51 1 1 . . . . . . . . . 3 . CE2# parsed_2e8d 1 51 1 2 . . . . . . . . . 42 . CG parsed_2e8d 1 52 1 1 . . . . . . . . . 3 . CE1# parsed_2e8d 1 52 1 2 . . . . . . . . . 40 . CG1# parsed_2e8d 1 53 1 1 . . . . . . . . . 7 . CE1# parsed_2e8d 1 53 1 2 . . . . . . . . . 33 . CE1# parsed_2e8d 1 54 1 1 . . . . . . . . . 7 . CZ parsed_2e8d 1 54 1 2 . . . . . . . . . 33 . CZ parsed_2e8d 1 55 1 1 . . . . . . . . . 11 . CE2# parsed_2e8d 1 55 1 2 . . . . . . . . . 36 . CB parsed_2e8d 1 56 1 1 . . . . . . . . . 3 . HN parsed_2e8d 1 56 1 2 . . . . . . . . . 24 . O parsed_2e8d 1 57 1 1 . . . . . . . . . 5 . HN parsed_2e8d 1 57 1 2 . . . . . . . . . 26 . O parsed_2e8d 1 58 1 1 . . . . . . . . . 7 . HN parsed_2e8d 1 58 1 2 . . . . . . . . . 28 . O parsed_2e8d 1 59 1 1 . . . . . . . . . 9 . HN parsed_2e8d 1 59 1 2 . . . . . . . . . 30 . O parsed_2e8d 1 60 1 1 . . . . . . . . . 26 . HN parsed_2e8d 1 60 1 2 . . . . . . . . . 3 . O parsed_2e8d 1 61 1 1 . . . . . . . . . 28 . HN parsed_2e8d 1 61 1 2 . . . . . . . . . 5 . O parsed_2e8d 1 62 1 1 . . . . . . . . . 30 . HN parsed_2e8d 1 62 1 2 . . . . . . . . . 7 . O parsed_2e8d 1 63 1 1 . . . . . . . . . 16 . HN parsed_2e8d 1 63 1 2 . . . . . . . . . 37 . O parsed_2e8d 1 64 1 1 . . . . . . . . . 18 . HN parsed_2e8d 1 64 1 2 . . . . . . . . . 39 . O parsed_2e8d 1 65 1 1 . . . . . . . . . 20 . HN parsed_2e8d 1 65 1 2 . . . . . . . . . 41 . O parsed_2e8d 1 66 1 1 . . . . . . . . . 37 . HN parsed_2e8d 1 66 1 2 . . . . . . . . . 14 . O parsed_2e8d 1 67 1 1 . . . . . . . . . 39 . HN parsed_2e8d 1 67 1 2 . . . . . . . . . 16 . O parsed_2e8d 1 68 1 1 . . . . . . . . . 41 . HN parsed_2e8d 1 68 1 2 . . . . . . . . . 18 . O parsed_2e8d 1 69 1 1 . . . . . . . . . 43 . HN parsed_2e8d 1 69 1 2 . . . . . . . . . 20 . O parsed_2e8d 1 70 1 1 . . . . . . . . . 25 . CZ parsed_2e8d 1 70 1 2 . . . . . . . . . 64 . CD1# parsed_2e8d 1 71 1 1 . . . . . . . . . 25 . CZ parsed_2e8d 1 71 1 2 . . . . . . . . . 64 . CG parsed_2e8d 1 72 1 1 . . . . . . . . . 25 . CE2# parsed_2e8d 1 72 1 2 . . . . . . . . . 64 . CG parsed_2e8d 1 73 1 1 . . . . . . . . . 25 . CE1# parsed_2e8d 1 73 1 2 . . . . . . . . . 62 . CG1# parsed_2e8d 1 74 1 1 . . . . . . . . . 29 . CE1# parsed_2e8d 1 74 1 2 . . . . . . . . . 55 . CE1# parsed_2e8d 1 75 1 1 . . . . . . . . . 29 . CZ parsed_2e8d 1 75 1 2 . . . . . . . . . 55 . CZ parsed_2e8d 1 76 1 1 . . . . . . . . . 33 . CE2# parsed_2e8d 1 76 1 2 . . . . . . . . . 58 . CB parsed_2e8d 1 77 1 1 . . . . . . . . . 25 . HN parsed_2e8d 1 77 1 2 . . . . . . . . . 46 . O parsed_2e8d 1 78 1 1 . . . . . . . . . 27 . HN parsed_2e8d 1 78 1 2 . . . . . . . . . 48 . O parsed_2e8d 1 79 1 1 . . . . . . . . . 29 . HN parsed_2e8d 1 79 1 2 . . . . . . . . . 50 . O parsed_2e8d 1 80 1 1 . . . . . . . . . 31 . HN parsed_2e8d 1 80 1 2 . . . . . . . . . 52 . O parsed_2e8d 1 81 1 1 . . . . . . . . . 48 . HN parsed_2e8d 1 81 1 2 . . . . . . . . . 25 . O parsed_2e8d 1 82 1 1 . . . . . . . . . 50 . HN parsed_2e8d 1 82 1 2 . . . . . . . . . 27 . O parsed_2e8d 1 83 1 1 . . . . . . . . . 52 . HN parsed_2e8d 1 83 1 2 . . . . . . . . . 29 . O parsed_2e8d 1 84 1 1 . . . . . . . . . 38 . HN parsed_2e8d 1 84 1 2 . . . . . . . . . 59 . O parsed_2e8d 1 85 1 1 . . . . . . . . . 40 . HN parsed_2e8d 1 85 1 2 . . . . . . . . . 61 . O parsed_2e8d 1 86 1 1 . . . . . . . . . 42 . HN parsed_2e8d 1 86 1 2 . . . . . . . . . 63 . O parsed_2e8d 1 87 1 1 . . . . . . . . . 59 . HN parsed_2e8d 1 87 1 2 . . . . . . . . . 36 . O parsed_2e8d 1 88 1 1 . . . . . . . . . 61 . HN parsed_2e8d 1 88 1 2 . . . . . . . . . 38 . O parsed_2e8d 1 89 1 1 . . . . . . . . . 63 . HN parsed_2e8d 1 89 1 2 . . . . . . . . . 40 . O parsed_2e8d 1 90 1 1 . . . . . . . . . 65 . HN parsed_2e8d 1 90 1 2 . . . . . . . . . 42 . O parsed_2e8d 1 91 1 1 . . . . . . . . . 47 . CZ parsed_2e8d 1 91 1 2 . . . . . . . . . 86 . CD1# parsed_2e8d 1 92 1 1 . . . . . . . . . 47 . CZ parsed_2e8d 1 92 1 2 . . . . . . . . . 86 . CG parsed_2e8d 1 93 1 1 . . . . . . . . . 47 . CE2# parsed_2e8d 1 93 1 2 . . . . . . . . . 86 . CG parsed_2e8d 1 94 1 1 . . . . . . . . . 47 . CE1# parsed_2e8d 1 94 1 2 . . . . . . . . . 84 . CG1# parsed_2e8d 1 95 1 1 . . . . . . . . . 51 . CE1# parsed_2e8d 1 95 1 2 . . . . . . . . . 77 . CE1# parsed_2e8d 1 96 1 1 . . . . . . . . . 51 . CZ parsed_2e8d 1 96 1 2 . . . . . . . . . 77 . CZ parsed_2e8d 1 97 1 1 . . . . . . . . . 55 . CE2# parsed_2e8d 1 97 1 2 . . . . . . . . . 80 . CB parsed_2e8d 1 98 1 1 . . . . . . . . . 47 . HN parsed_2e8d 1 98 1 2 . . . . . . . . . 68 . O parsed_2e8d 1 99 1 1 . . . . . . . . . 49 . HN parsed_2e8d 1 99 1 2 . . . . . . . . . 70 . O parsed_2e8d 1 100 1 1 . . . . . . . . . 51 . HN parsed_2e8d 1 100 1 2 . . . . . . . . . 72 . O parsed_2e8d 1 101 1 1 . . . . . . . . . 53 . HN parsed_2e8d 1 101 1 2 . . . . . . . . . 74 . O parsed_2e8d 1 102 1 1 . . . . . . . . . 70 . HN parsed_2e8d 1 102 1 2 . . . . . . . . . 47 . O parsed_2e8d 1 103 1 1 . . . . . . . . . 72 . HN parsed_2e8d 1 103 1 2 . . . . . . . . . 49 . O parsed_2e8d 1 104 1 1 . . . . . . . . . 74 . HN parsed_2e8d 1 104 1 2 . . . . . . . . . 51 . O parsed_2e8d 1 105 1 1 . . . . . . . . . 60 . HN parsed_2e8d 1 105 1 2 . . . . . . . . . 81 . O parsed_2e8d 1 106 1 1 . . . . . . . . . 62 . HN parsed_2e8d 1 106 1 2 . . . . . . . . . 83 . O parsed_2e8d 1 107 1 1 . . . . . . . . . 64 . HN parsed_2e8d 1 107 1 2 . . . . . . . . . 85 . O parsed_2e8d 1 108 1 1 . . . . . . . . . 81 . HN parsed_2e8d 1 108 1 2 . . . . . . . . . 58 . O parsed_2e8d 1 109 1 1 . . . . . . . . . 83 . HN parsed_2e8d 1 109 1 2 . . . . . . . . . 60 . O parsed_2e8d 1 110 1 1 . . . . . . . . . 85 . HN parsed_2e8d 1 110 1 2 . . . . . . . . . 62 . O parsed_2e8d 1 111 1 1 . . . . . . . . . 87 . HN parsed_2e8d 1 111 1 2 . . . . . . . . . 64 . O parsed_2e8d 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 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 2 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 3 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 4 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 5 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 6 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 7 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 8 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 9 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 10 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 11 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 12 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 13 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 14 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 15 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 16 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 17 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 18 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 19 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 20 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 21 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 22 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 23 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 24 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 25 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 26 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 27 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 28 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 29 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 30 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 31 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 32 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 33 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 34 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 35 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 36 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 37 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 38 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 39 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 40 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 41 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 42 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 43 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 44 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 45 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 46 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 47 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 48 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1 49 1 . . . . . 2.5 2.0 3.0 parsed_2e8d 1 50 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 51 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 52 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 53 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 54 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 55 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 56 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 57 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 58 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 59 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 60 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 61 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 62 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 63 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 64 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 65 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 66 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 67 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 68 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 69 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 70 1 . . . . . 2.5 2.0 3.0 parsed_2e8d 1 71 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 72 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 73 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 74 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 75 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 76 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 77 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 78 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 79 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 80 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 81 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 82 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 83 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 84 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 85 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 86 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 87 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 88 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 89 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 90 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 91 1 . . . . . 2.5 2.0 3.0 parsed_2e8d 1 92 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 93 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 94 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1 95 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 96 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 97 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1 98 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 99 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 100 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 101 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 102 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 103 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 104 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 105 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 106 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 107 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 108 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 109 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 110 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1 111 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 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 ; !K3 amyloid fibrils (20% TFE 10 mM HCl) for 4 mol(1) !Distance restraints Molecular A (1-22) Ser20 Asn21 Phe22 ; 2 1 8 7 parsed_2e8d 1 2 Phe22Ca-Leu23Cd 9 70 9 86 parsed_2e8d 1 3 Phe22Ce-Asn24Ca 10 70 10 86 parsed_2e8d 1 4 Phe22Cz-Asn24Ca 11 68 11 84 parsed_2e8d 1 5 ; Phe22Cd-Leu39Cr Leu23 Asn24 ; 12 71 14 7 parsed_2e8d 1 6 ; Asn24Cb-Val37Cr Cys25 Tyr26 ; 15 71 17 7 parsed_2e8d 1 7 Tyr26Cd-Tyr26Co 18 67 18 83 parsed_2e8d 1 8 ; Tyr26Ce-Val27Ca Val27 Ser28 assign ( resid 9 and name CB ) ( resid 11 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca Gly29 Phe30 ; 19 70 24 7 parsed_2e8d 1 9 ; Phe30Ce-Ile35Cg His31 Pro32 Ser33 Asp34 Ile35 Glu36 ; 25 74 31 7 parsed_2e8d 1 10 ; Glu36Ca-Val37Cg Val37 ; 32 72 33 7 parsed_2e8d 1 11 Val37Ca-Glu36Cg 34 70 34 86 parsed_2e8d 1 12 ; Val37Cg-Asp38Ca Asp38 ; 35 72 36 7 parsed_2e8d 1 13 ; Asp38Ca-Leu39Cd Leu39 Leu40 Lys41 Molecular B (23-44) Ser20 Asn21 Phe22 ; 37 72 45 7 parsed_2e8d 1 14 Phe22Ca-Leu23Cd 46 72 46 88 parsed_2e8d 1 15 Phe22Ce-Asn24Ca 47 72 47 88 parsed_2e8d 1 16 Phe22Cz-Asn24Ca 48 70 48 86 parsed_2e8d 1 17 ; Phe22Cd-Leu39Cr Leu23 Asn24 ; 49 72 51 7 parsed_2e8d 1 18 ; Asn24Cb-Val37Cr Cys25 Tyr26 ; 52 72 54 7 parsed_2e8d 1 19 Tyr26Cd-Tyr26Co 55 69 55 85 parsed_2e8d 1 20 ; Tyr26Ce-Val27Ca Val27 Ser28 assign ( resid 31 and name CB ) ( resid 33 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca Gly29 Phe30 ; 56 72 61 7 parsed_2e8d 1 21 ; Phe30Ce-Ile35Cg His31 Pro32 Ser33 Asp34 Ile35 Glu36 ; 62 74 68 7 parsed_2e8d 1 22 ; Glu36Ca-Val37Cg Val37 ; 69 72 70 7 parsed_2e8d 1 23 Val37Ca-Glu36Cg 71 70 71 86 parsed_2e8d 1 24 ; Val37Cg-Asp38Ca Asp38 ; 72 72 73 7 parsed_2e8d 1 25 ; Asp38Ca-Leu39Cd Leu39 Leu40 Lys41 Molecular C (45-66) Ser20 Asn21 Phe22 ; 74 72 82 7 parsed_2e8d 1 26 Phe22Ca-Leu23Cd 83 72 83 88 parsed_2e8d 1 27 Phe22Ce-Asn24Ca 84 72 84 88 parsed_2e8d 1 28 Phe22Cz-Asn24Ca 85 70 85 86 parsed_2e8d 1 29 ; Phe22Cd-Leu39Cr Leu23 Asn24 ; 86 72 88 7 parsed_2e8d 1 30 ; Asn24Cb-Val37Cr Cys25 Tyr26 ; 89 72 91 7 parsed_2e8d 1 31 Tyr26Ce-Val27Co 92 69 92 85 parsed_2e8d 1 32 ; Tyr26Ce-Val27Ca Val27 Ser28 assign ( resid 53 and name CB ) ( resid 55 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca Gly29 Phe30 ; 93 72 98 7 parsed_2e8d 1 33 ; Phe30Ce-Ile35Cg His31 Pro32 Ser33 Asp34 Ile35 Glu36 ; 99 74 105 7 parsed_2e8d 1 34 ; Glu36Ca-Val37Cg Val37 ; 106 72 107 7 parsed_2e8d 1 35 Val37Ca-Glu36Cg 108 70 108 86 parsed_2e8d 1 36 ; Val37Cg-Asp38Ca Asp38 ; 109 72 110 7 parsed_2e8d 1 37 ; Asp38Ca-Leu39Cd Leu39 Leu40 Lys41 Molecular D (67-88) Ser20 Asn21 Phe22 ; 111 72 119 7 parsed_2e8d 1 38 Phe22Ca-Leu23Cd 120 72 120 88 parsed_2e8d 1 39 Phe22Ca-Asn24Ca 121 72 121 88 parsed_2e8d 1 40 Phe22Cz-Asn24Ca 122 70 122 86 parsed_2e8d 1 41 ; Phe22Cd-Leu39Cr Leu23 Asn24 ; 123 72 125 7 parsed_2e8d 1 42 ; Asn24Cb-Val37Cr Cys25 Tyr26 ; 126 72 128 7 parsed_2e8d 1 43 Tyr26Ce-Tyr26Co 129 69 129 85 parsed_2e8d 1 44 ; Tyr26Ce-Val27Ca Val27 Ser28 assign ( resid 75 and name CB ) ( resid 77 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca Gly29 Phe30 ; 130 72 135 7 parsed_2e8d 1 45 ; Phe30Ce-Ile35Cg His31 Pro32 Ser33 Asp34 Ile35 Glu36 ; 136 74 142 7 parsed_2e8d 1 46 ; Glu36Ca-Val37Cg Val37 ; 143 72 144 7 parsed_2e8d 1 47 Val37Ca-Glu36Cg 145 70 145 86 parsed_2e8d 1 48 ; Val37Cg-Asp38Ca Asp38 ; 146 72 147 7 parsed_2e8d 1 49 ; Asp38Ca-Leu39Cd Leu39 Leu40 Lys41 !Inter-molecular (Mol A-Mol B) !Sidechain ; 148 72 155 12 parsed_2e8d 1 50 Phe22Cz-Leu39Cd 157 71 157 87 parsed_2e8d 1 51 Phe22Cz-Leu39Cg 158 69 158 85 parsed_2e8d 1 52 Phe22Ce-Leu39Cg 159 72 159 88 parsed_2e8d 1 53 Phe22Ce-Val37Cg 160 73 160 89 parsed_2e8d 1 54 Tyr26Ce-Phe30Ce 161 73 161 89 parsed_2e8d 1 55 Tyr26Cz-Phe30Cz 162 69 162 85 parsed_2e8d 1 56 ; Phe30Ce-Ser33Cb !Hydrogen Bond ; 163 72 165 16 parsed_2e8d 1 57 Phe22HN-Asn21CO 167 68 167 84 parsed_2e8d 1 58 Asn24HN-Leu23CO 168 68 168 84 parsed_2e8d 1 59 Tyr26HN-Cys25CO 169 68 169 84 parsed_2e8d 1 60 Ser28HN-Val27CO 170 68 170 84 parsed_2e8d 1 61 Phe22CO-Leu23NH 171 68 171 84 parsed_2e8d 1 62 Asn24CO-Cys25NH 172 68 172 84 parsed_2e8d 1 63 Tyr26CO-Val27NH 173 68 173 84 parsed_2e8d 1 64 Ile35HN-Asp34CO 175 69 175 85 parsed_2e8d 1 65 Val37HN-Glu36CO 176 69 176 85 parsed_2e8d 1 66 Leu39HN-Asp38CO 177 69 177 85 parsed_2e8d 1 67 Ser33CO-Asn34NH 178 69 178 85 parsed_2e8d 1 68 Ile35CO-Glu36NH 179 69 179 85 parsed_2e8d 1 69 Val37CO-Asn38NH 180 69 180 85 parsed_2e8d 1 70 ; Leu39CO-Leu40NH !Inter-molecular (Mol B-Mol C) !Sidechain ; 181 69 185 12 parsed_2e8d 1 71 Phe22Cz-Leu39Cd 187 72 187 88 parsed_2e8d 1 72 Phe22Cz-Leu39Cg 188 70 188 86 parsed_2e8d 1 73 Phe22Ce-Leu39Cg 189 73 189 89 parsed_2e8d 1 74 Phe22Ce-Val37Cg 190 74 190 90 parsed_2e8d 1 75 Tyr26Ce-Phe30Ce 191 74 191 90 parsed_2e8d 1 76 Tyr26Cz-Phe30Cz 192 70 192 86 parsed_2e8d 1 77 ; Phe30Ce-Ser33Cb !Hydrogen Bond ; 193 72 195 16 parsed_2e8d 1 78 Phe22HN-Asn21CO 197 69 197 85 parsed_2e8d 1 79 Asn24HN-Leu23CO 198 69 198 85 parsed_2e8d 1 80 Tyr26HN-Cys25CO 199 69 199 85 parsed_2e8d 1 81 Ser28HN-Val27CO 200 69 200 85 parsed_2e8d 1 82 Phe22CO-Leu23NH 201 69 201 85 parsed_2e8d 1 83 Asn24CO-Cys25NH 202 69 202 85 parsed_2e8d 1 84 Tyr26CO-Val27NH 203 69 203 85 parsed_2e8d 1 85 Ile35HN-Asp34CO 205 69 205 85 parsed_2e8d 1 86 Val37HN-Glu36CO 206 69 206 85 parsed_2e8d 1 87 Leu39HN-Asp38CO 207 69 207 85 parsed_2e8d 1 88 Ser33CO-Asn34NH 208 69 208 85 parsed_2e8d 1 89 Ile35CO-Glu36NH 209 69 209 85 parsed_2e8d 1 90 Val37CO-Asn38NH 210 69 210 85 parsed_2e8d 1 91 ; Leu39CO-Leu40NH !Inter-molecular (Mol C-Mol D) !Sidechain ; 211 69 215 12 parsed_2e8d 1 92 Phe22Cz-Leu39Cd 217 72 217 88 parsed_2e8d 1 93 Phe22Cz-Leu39Cg 218 70 218 86 parsed_2e8d 1 94 Phe22Ce-Leu39Cg 219 73 219 89 parsed_2e8d 1 95 Phe22Ce-Val37Cg 220 74 220 90 parsed_2e8d 1 96 Tyr26Ce-Phe30Ce 221 74 221 90 parsed_2e8d 1 97 Tyr26Cz-Phe30Cz 222 70 222 86 parsed_2e8d 1 98 ; Phe30Ce-Ser33Cb !Hydrogen Bond ; 223 72 226 16 parsed_2e8d 1 99 Phe22HN-Asn21CO 228 69 228 85 parsed_2e8d 1 100 Asn24HN-Leu23CO 229 69 229 85 parsed_2e8d 1 101 Tyr26HN-Cys25CO 230 69 230 85 parsed_2e8d 1 102 Ser28HN-Val27CO 231 69 231 85 parsed_2e8d 1 103 Phe22CO-Leu23NH 232 69 232 85 parsed_2e8d 1 104 Asn24CO-Cys25NH 233 69 233 85 parsed_2e8d 1 105 Tyr26CO-Val27NH 234 69 234 85 parsed_2e8d 1 106 Ile35HN-Asp34CO 236 69 236 85 parsed_2e8d 1 107 Val37HN-Glu36CO 237 69 237 85 parsed_2e8d 1 108 Leu39HN-Asp38CO 238 69 238 85 parsed_2e8d 1 109 Ser33CO-Asn34NH 239 69 239 85 parsed_2e8d 1 110 Ile35CO-Glu36NH 240 69 240 85 parsed_2e8d 1 111 Val37CO-Asn38NH 241 69 241 85 parsed_2e8d 1 112 Leu39CO-Leu40NH 242 69 242 85 parsed_2e8d 1 stop_ save_
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