NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
32735 | 1gq0 | cing | 2-parsed | STAR | entry | full | 87 |
data_1gq0_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1gq0 _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_1gq0 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1gq0 _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 1gq0 "Master copy" parsed_1gq0 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1gq0 _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 1gq0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1gq0 1 1 1gq0.mr . . XPLOR/CNS 2 distance NOE ambi 87 parsed_1gq0 1 1 1gq0.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1gq0 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1gq0 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *HEADER PEPTAIBOL 31-JAN-01 1GQ0 *TITLE SOLUTION STRUCTURE OF ANTIAMOEBIN I, A MEMBRANE *TITLE 2 CHANNEL-FORMING POLYPEPTIDE; NMR, 20 STRUCTURES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ANTIAMOEBIN I; *COMPND 3 CHAIN: A *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: EMERICELLIOPSIS SP. *KEYWDS PEPTAIBOL, ION CHANNEL, MEMBRANE POLYPEPTIDE, ANTIBIOTIC *EXPDTA NMR, 20 STRUCTURES *AUTHOR T.P.GALBRAITH,R.HARRIS,P.C.DRISCOLL,B.A.WALLACE *REVDAT 1 03-DEC-01 1GQ0 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1gq0 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _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_1gq0 1 2 1 . . . parsed_1gq0 1 3 1 . . . parsed_1gq0 1 4 1 . . . parsed_1gq0 1 5 1 . . . parsed_1gq0 1 6 1 . . . parsed_1gq0 1 7 1 . . . parsed_1gq0 1 8 1 . . . parsed_1gq0 1 9 1 . . . parsed_1gq0 1 10 1 . . . parsed_1gq0 1 11 1 . . . parsed_1gq0 1 12 1 . . . parsed_1gq0 1 13 1 . . . parsed_1gq0 1 14 1 . . . parsed_1gq0 1 15 1 . . . parsed_1gq0 1 16 1 . . . parsed_1gq0 1 17 1 . . . parsed_1gq0 1 18 1 . . . parsed_1gq0 1 19 1 . . . parsed_1gq0 1 20 1 . . . parsed_1gq0 1 21 1 . . . parsed_1gq0 1 22 1 . . . parsed_1gq0 1 23 1 . . . parsed_1gq0 1 24 1 . . . parsed_1gq0 1 25 1 . . . parsed_1gq0 1 26 1 . . . parsed_1gq0 1 27 1 . . . parsed_1gq0 1 28 1 . . . parsed_1gq0 1 29 1 . . . parsed_1gq0 1 30 1 . . . parsed_1gq0 1 31 1 . . . parsed_1gq0 1 32 1 . . . parsed_1gq0 1 33 1 . . . parsed_1gq0 1 34 1 . . . parsed_1gq0 1 35 1 . . . parsed_1gq0 1 36 1 . . . parsed_1gq0 1 37 1 . . . parsed_1gq0 1 38 1 . . . parsed_1gq0 1 39 1 . . . parsed_1gq0 1 40 1 . . . parsed_1gq0 1 41 1 . . . parsed_1gq0 1 42 1 . . . parsed_1gq0 1 43 1 . . . parsed_1gq0 1 44 1 . . . parsed_1gq0 1 45 1 . . . parsed_1gq0 1 46 1 . . . parsed_1gq0 1 47 1 . . . parsed_1gq0 1 48 1 . . . parsed_1gq0 1 49 1 . . . parsed_1gq0 1 50 1 . . . parsed_1gq0 1 51 1 . . . parsed_1gq0 1 52 1 . . . parsed_1gq0 1 53 1 . . . parsed_1gq0 1 54 1 . . . parsed_1gq0 1 55 1 . . . parsed_1gq0 1 56 1 . . . parsed_1gq0 1 57 1 . . . parsed_1gq0 1 58 1 . . . parsed_1gq0 1 59 1 . . . parsed_1gq0 1 60 1 . . . parsed_1gq0 1 61 1 . . . parsed_1gq0 1 62 1 . . . parsed_1gq0 1 63 1 . . . parsed_1gq0 1 64 1 . . . parsed_1gq0 1 65 1 . . . parsed_1gq0 1 66 1 . . . parsed_1gq0 1 67 1 . . . parsed_1gq0 1 68 1 . . . parsed_1gq0 1 69 1 . . . parsed_1gq0 1 70 1 . . . parsed_1gq0 1 71 1 . . . parsed_1gq0 1 72 1 . . . parsed_1gq0 1 73 1 . . . parsed_1gq0 1 74 1 . . . parsed_1gq0 1 75 1 . . . parsed_1gq0 1 76 1 . . . parsed_1gq0 1 77 1 . . . parsed_1gq0 1 78 1 . . . parsed_1gq0 1 79 1 . . . parsed_1gq0 1 80 1 . . . parsed_1gq0 1 81 1 . . . parsed_1gq0 1 82 1 . . . parsed_1gq0 1 83 1 . . . parsed_1gq0 1 84 1 . . . parsed_1gq0 1 85 1 . . . parsed_1gq0 1 86 1 . . . parsed_1gq0 1 87 1 . . . parsed_1gq0 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 . HA* parsed_1gq0 1 1 1 2 . . . . . . . . . 2 . HN parsed_1gq0 1 2 1 1 . . . . . . . . . 2 . HN parsed_1gq0 1 2 1 2 . . . . . . . . . 2 . HA parsed_1gq0 1 3 1 1 . . . . . . . . . 2 . HN parsed_1gq0 1 3 1 2 . . . . . . . . . 2 . HB2 parsed_1gq0 1 4 1 1 . . . . . . . . . 2 . HN parsed_1gq0 1 4 1 2 . . . . . . . . . 4 . HN parsed_1gq0 1 5 1 1 . . . . . . . . . 2 . HA parsed_1gq0 1 5 1 2 . . . . . . . . . 2 . HB2 parsed_1gq0 1 6 1 1 . . . . . . . . . 2 . HA parsed_1gq0 1 6 1 2 . . . . . . . . . 2 . HB1 parsed_1gq0 1 7 1 1 . . . . . . . . . 3 . HB1* parsed_1gq0 1 7 1 2 . . . . . . . . . 4 . HN parsed_1gq0 1 8 1 1 . . . . . . . . . 4 . HN parsed_1gq0 1 8 1 2 . . . . . . . . . 4 . HB1* parsed_1gq0 1 8 1 2 . . . . . . . . . 4 . HB2* parsed_1gq0 1 9 1 1 . . . . . . . . . 4 . HN parsed_1gq0 1 9 1 2 . . . . . . . . . 5 . HN parsed_1gq0 1 10 1 1 . . . . . . . . . 4 . HB2* parsed_1gq0 1 10 1 2 . . . . . . . . . 5 . HN parsed_1gq0 1 11 1 1 . . . . . . . . . 5 . HN parsed_1gq0 1 11 1 2 . . . . . . . . . 5 . HB1* parsed_1gq0 1 11 1 2 . . . . . . . . . 5 . HB2* parsed_1gq0 1 12 1 1 . . . . . . . . . 5 . HN parsed_1gq0 1 12 1 2 . . . . . . . . . 6 . HN parsed_1gq0 1 13 1 1 . . . . . . . . . 5 . HB1* parsed_1gq0 1 13 1 2 . . . . . . . . . 6 . HN parsed_1gq0 1 14 1 1 . . . . . . . . . 6 . HN parsed_1gq0 1 14 1 2 . . . . . . . . . 6 . HB1* parsed_1gq0 1 15 1 1 . . . . . . . . . 6 . HN parsed_1gq0 1 15 1 2 . . . . . . . . . 6 . HB2* parsed_1gq0 1 16 1 1 . . . . . . . . . 6 . HN parsed_1gq0 1 16 1 2 . . . . . . . . . 7 . HN parsed_1gq0 1 17 1 1 . . . . . . . . . 6 . HB1B parsed_1gq0 1 17 1 2 . . . . . . . . . 7 . HN parsed_1gq0 1 18 1 1 . . . . . . . . . 6 . HB2* parsed_1gq0 1 18 1 2 . . . . . . . . . 7 . HN parsed_1gq0 1 19 1 1 . . . . . . . . . 7 . HN parsed_1gq0 1 19 1 2 . . . . . . . . . 7 . HA2 parsed_1gq0 1 20 1 1 . . . . . . . . . 7 . HN parsed_1gq0 1 20 1 2 . . . . . . . . . 7 . HA1 parsed_1gq0 1 21 1 1 . . . . . . . . . 7 . HN parsed_1gq0 1 21 1 2 . . . . . . . . . 8 . HN parsed_1gq0 1 22 1 1 . . . . . . . . . 7 . HA2 parsed_1gq0 1 22 1 2 . . . . . . . . . 8 . HN parsed_1gq0 1 23 1 1 . . . . . . . . . 7 . HA1 parsed_1gq0 1 23 1 2 . . . . . . . . . 8 . HN parsed_1gq0 1 24 1 1 . . . . . . . . . 8 . HN parsed_1gq0 1 24 1 2 . . . . . . . . . 8 . HA parsed_1gq0 1 25 1 1 . . . . . . . . . 8 . HN parsed_1gq0 1 25 1 2 . . . . . . . . . 8 . HB1 parsed_1gq0 1 26 1 1 . . . . . . . . . 8 . HN parsed_1gq0 1 26 1 2 . . . . . . . . . 8 . HG parsed_1gq0 1 27 1 1 . . . . . . . . . 8 . HN parsed_1gq0 1 27 1 2 . . . . . . . . . 9 . HN parsed_1gq0 1 28 1 1 . . . . . . . . . 8 . HA parsed_1gq0 1 28 1 2 . . . . . . . . . 8 . HB1 parsed_1gq0 1 29 1 1 . . . . . . . . . 8 . HA parsed_1gq0 1 29 1 2 . . . . . . . . . 9 . HN parsed_1gq0 1 30 1 1 . . . . . . . . . 8 . HA parsed_1gq0 1 30 1 2 . . . . . . . . . 10 . HN parsed_1gq0 1 31 1 1 . . . . . . . . . 9 . HN parsed_1gq0 1 31 1 2 . . . . . . . . . 9 . HB1* parsed_1gq0 1 32 1 1 . . . . . . . . . 9 . HN parsed_1gq0 1 32 1 2 . . . . . . . . . 9 . HB2* parsed_1gq0 1 33 1 1 . . . . . . . . . 10 . HN parsed_1gq0 1 33 1 2 . . . . . . . . . 10 . HB1* parsed_1gq0 1 34 1 1 . . . . . . . . . 10 . HN parsed_1gq0 1 34 1 2 . . . . . . . . . 10 . HB2* parsed_1gq0 1 35 1 1 . . . . . . . . . 10 . HN parsed_1gq0 1 35 1 2 . . . . . . . . . 11 . HD1 parsed_1gq0 1 36 1 1 . . . . . . . . . 10 . HN parsed_1gq0 1 36 1 2 . . . . . . . . . 11 . HD2 parsed_1gq0 1 37 1 1 . . . . . . . . . 10 . HB1* parsed_1gq0 1 37 1 1 . . . . . . . . . 10 . HB2* parsed_1gq0 1 37 1 2 . . . . . . . . . 11 . HA parsed_1gq0 1 38 1 1 . . . . . . . . . 11 . HA parsed_1gq0 1 38 1 2 . . . . . . . . . 11 . HB1 parsed_1gq0 1 39 1 1 . . . . . . . . . 11 . HA parsed_1gq0 1 39 1 2 . . . . . . . . . 12 . HN parsed_1gq0 1 40 1 1 . . . . . . . . . 11 . HB2 parsed_1gq0 1 40 1 2 . . . . . . . . . 11 . HD1 parsed_1gq0 1 41 1 1 . . . . . . . . . 11 . HB1 parsed_1gq0 1 41 1 2 . . . . . . . . . 12 . HN parsed_1gq0 1 42 1 1 . . . . . . . . . 11 . HG parsed_1gq0 1 42 1 2 . . . . . . . . . 11 . HD2 parsed_1gq0 1 43 1 1 . . . . . . . . . 11 . HD2 parsed_1gq0 1 43 1 2 . . . . . . . . . 12 . HN parsed_1gq0 1 44 1 1 . . . . . . . . . 12 . HN parsed_1gq0 1 44 1 2 . . . . . . . . . 12 . HA parsed_1gq0 1 45 1 1 . . . . . . . . . 12 . HN parsed_1gq0 1 45 1 2 . . . . . . . . . 12 . HB2 parsed_1gq0 1 46 1 1 . . . . . . . . . 12 . HN parsed_1gq0 1 46 1 2 . . . . . . . . . 12 . HG2 parsed_1gq0 1 47 1 1 . . . . . . . . . 12 . HN parsed_1gq0 1 47 1 2 . . . . . . . . . 13 . HN parsed_1gq0 1 48 1 1 . . . . . . . . . 12 . HA parsed_1gq0 1 48 1 2 . . . . . . . . . 12 . HB* parsed_1gq0 1 49 1 1 . . . . . . . . . 12 . HA parsed_1gq0 1 49 1 2 . . . . . . . . . 12 . HG2 parsed_1gq0 1 50 1 1 . . . . . . . . . 12 . HA parsed_1gq0 1 50 1 2 . . . . . . . . . 14 . HD1 parsed_1gq0 1 51 1 1 . . . . . . . . . 12 . HB1 parsed_1gq0 1 51 1 2 . . . . . . . . . 13 . HN parsed_1gq0 1 52 1 1 . . . . . . . . . 13 . HN parsed_1gq0 1 52 1 2 . . . . . . . . . 13 . HB1B parsed_1gq0 1 53 1 1 . . . . . . . . . 13 . HN parsed_1gq0 1 53 1 2 . . . . . . . . . 13 . HB2* parsed_1gq0 1 54 1 1 . . . . . . . . . 13 . HN parsed_1gq0 1 54 1 2 . . . . . . . . . 14 . HD2 parsed_1gq0 1 55 1 1 . . . . . . . . . 13 . HB2* parsed_1gq0 1 55 1 2 . . . . . . . . . 14 . HA parsed_1gq0 1 56 1 1 . . . . . . . . . 14 . HA parsed_1gq0 1 56 1 2 . . . . . . . . . 14 . HB1 parsed_1gq0 1 57 1 1 . . . . . . . . . 14 . HA parsed_1gq0 1 57 1 2 . . . . . . . . . 14 . HB2 parsed_1gq0 1 58 1 1 . . . . . . . . . 14 . HA parsed_1gq0 1 58 1 2 . . . . . . . . . 15 . HN parsed_1gq0 1 59 1 1 . . . . . . . . . 14 . HB1 parsed_1gq0 1 59 1 2 . . . . . . . . . 14 . HD2 parsed_1gq0 1 60 1 1 . . . . . . . . . 14 . HG parsed_1gq0 1 60 1 2 . . . . . . . . . 14 . HD2 parsed_1gq0 1 61 1 1 . . . . . . . . . 15 . HN parsed_1gq0 1 61 1 2 . . . . . . . . . 15 . HB1* parsed_1gq0 1 62 1 1 . . . . . . . . . 15 . HN parsed_1gq0 1 62 1 2 . . . . . . . . . 15 . HB2* parsed_1gq0 1 63 1 1 . . . . . . . . . 15 . HN parsed_1gq0 1 63 1 2 . . . . . . . . . 16 . HD1 parsed_1gq0 1 64 1 1 . . . . . . . . . 16 . HA parsed_1gq0 1 64 1 2 . . . . . . . . . 17 . HN parsed_1gq0 1 65 1 1 . . . . . . . . . 16 . HB1 parsed_1gq0 1 65 1 2 . . . . . . . . . 16 . HG2 parsed_1gq0 1 66 1 1 . . . . . . . . . 16 . HD1 parsed_1gq0 1 66 1 2 . . . . . . . . . 17 . HN parsed_1gq0 1 67 1 1 . . . . . . . . . 17 . HN parsed_1gq0 1 67 1 2 . . . . . . . . . 17 . HA parsed_1gq0 1 68 1 1 . . . . . . . . . 17 . HN parsed_1gq0 1 68 1 2 . . . . . . . . . 17 . H2 parsed_1gq0 1 69 1 1 . . . . . . . . . 17 . HA parsed_1gq0 1 69 1 2 . . . . . . . . . 17 . H1 parsed_1gq0 1 70 1 1 . . . . . . . . . 17 . HB2 parsed_1gq0 1 70 1 2 . . . . . . . . . 17 . H1 parsed_1gq0 1 71 1 1 . . . . . . . . . 2 . HA parsed_1gq0 1 71 1 2 . . . . . . . . . 4 . HN parsed_1gq0 1 72 1 1 . . . . . . . . . 4 . HN parsed_1gq0 1 72 1 2 . . . . . . . . . 8 . HA parsed_1gq0 1 73 1 1 . . . . . . . . . 7 . HA2 parsed_1gq0 1 73 1 2 . . . . . . . . . 10 . HN parsed_1gq0 1 74 1 1 . . . . . . . . . 12 . HA parsed_1gq0 1 74 1 2 . . . . . . . . . 15 . HN parsed_1gq0 1 75 1 1 . . . . . . . . . 15 . HB2* parsed_1gq0 1 75 1 2 . . . . . . . . . 16 . HA parsed_1gq0 1 76 1 1 . . . . . . . . . 15 . HB1* parsed_1gq0 1 76 1 2 . . . . . . . . . 16 . HD1 parsed_1gq0 1 77 1 1 . . . . . . . . . 15 . HB1* parsed_1gq0 1 77 1 2 . . . . . . . . . 17 . HN parsed_1gq0 1 78 1 1 . . . . . . . . . 16 . HB1 parsed_1gq0 1 78 1 2 . . . . . . . . . 17 . HN parsed_1gq0 1 79 1 1 . . . . . . . . . 16 . HB2 parsed_1gq0 1 79 1 2 . . . . . . . . . 17 . HN parsed_1gq0 1 80 1 1 . . . . . . . . . 16 . HG2 parsed_1gq0 1 80 1 2 . . . . . . . . . 17 . HN parsed_1gq0 1 81 1 1 . . . . . . . . . 2 . HB1 parsed_1gq0 1 81 1 2 . . . . . . . . . 4 . HN parsed_1gq0 1 82 1 1 . . . . . . . . . 2 . HB1 parsed_1gq0 1 82 1 2 . . . . . . . . . 5 . HN parsed_1gq0 1 83 1 1 . . . . . . . . . 4 . HB2* parsed_1gq0 1 83 1 2 . . . . . . . . . 6 . HN parsed_1gq0 1 84 1 1 . . . . . . . . . 5 . HN parsed_1gq0 1 84 1 2 . . . . . . . . . 8 . HB1 parsed_1gq0 1 85 1 1 . . . . . . . . . 5 . HB2* parsed_1gq0 1 85 1 2 . . . . . . . . . 8 . HN parsed_1gq0 1 86 1 1 . . . . . . . . . 17 . HN parsed_1gq0 1 86 1 2 . . . . . . . . . 17 . HB1 parsed_1gq0 1 87 1 1 . . . . . . . . . 17 . HN parsed_1gq0 1 87 1 2 . . . . . . . . . 17 . HB2 parsed_1gq0 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 . . . . . 3.5 2.5 4.5 parsed_1gq0 1 2 1 . . . . . 2.5 1.9 3.4 parsed_1gq0 1 3 1 . . . . . 3.1 2.8 3.4 parsed_1gq0 1 4 1 . . . . . 3.5 3.1 3.9 parsed_1gq0 1 5 1 . . . . . 3.0 2.7 3.3 parsed_1gq0 1 6 1 . . . . . 2.9 2.6 3.2 parsed_1gq0 1 7 1 . . . . . 3.6 2.8 4.4 parsed_1gq0 1 8 1 . . . . . 3.0 2.4 3.6 parsed_1gq0 1 9 1 . . . . . 2.5 1.5 3.5 parsed_1gq0 1 10 1 . . . . . 3.5 2.7 4.3 parsed_1gq0 1 11 1 . . . . . 3.2 1.9 5.2 parsed_1gq0 1 12 1 . . . . . 3.9 2.8 5.2 parsed_1gq0 1 13 1 . . . . . 2.8 1.8 3.3 parsed_1gq0 1 14 1 . . . . . 3.0 1.9 4.3 parsed_1gq0 1 15 1 . . . . . 3.2 2.4 5.2 parsed_1gq0 1 16 1 . . . . . 3.1 2.8 3.4 parsed_1gq0 1 17 1 . . . . . 3.6 2.6 4.6 parsed_1gq0 1 18 1 . . . . . 3.5 2.6 5.2 parsed_1gq0 1 19 1 . . . . . 2.8 2.2 3.4 parsed_1gq0 1 20 1 . . . . . 2.7 2.1 3.3 parsed_1gq0 1 21 1 . . . . . 3.15 2.55 3.75 parsed_1gq0 1 22 1 . . . . . 3.3 3.0 3.6 parsed_1gq0 1 23 1 . . . . . 3.4 3.1 3.7 parsed_1gq0 1 24 1 . . . . . 2.8 2.2 3.4 parsed_1gq0 1 25 1 . . . . . 3.1 2.7 4.2 parsed_1gq0 1 26 1 . . . . . 2.5 1.5 3.5 parsed_1gq0 1 27 1 . . . . . 3.05 2.45 3.65 parsed_1gq0 1 28 1 . . . . . 2.5 2.2 2.8 parsed_1gq0 1 29 1 . . . . . 2.8 2.2 3.4 parsed_1gq0 1 30 1 . . . . . 3.7 2.9 4.5 parsed_1gq0 1 31 1 . . . . . 3.0 2.4 3.6 parsed_1gq0 1 32 1 . . . . . 3.2 2.6 3.8 parsed_1gq0 1 33 1 . . . . . 4.0 2.8 6.0 parsed_1gq0 1 34 1 . . . . . 3.1 2.7 3.9 parsed_1gq0 1 35 1 . . . . . 3.5 3.1 3.9 parsed_1gq0 1 36 1 . . . . . 2.8 2.5 3.1 parsed_1gq0 1 37 1 . . . . . 4.8 3.8 5.8 parsed_1gq0 1 38 1 . . . . . 2.3 2.1 2.5 parsed_1gq0 1 39 1 . . . . . 3.4 2.8 4.0 parsed_1gq0 1 40 1 . . . . . 2.8 2.2 3.4 parsed_1gq0 1 41 1 . . . . . 3.9 2.9 4.9 parsed_1gq0 1 42 1 . . . . . 3.0 2.4 3.6 parsed_1gq0 1 43 1 . . . . . 3.7 2.5 5.6 parsed_1gq0 1 44 1 . . . . . 3.0 2.4 3.6 parsed_1gq0 1 45 1 . . . . . 2.5 2.2 2.8 parsed_1gq0 1 46 1 . . . . . 3.0 2.7 3.3 parsed_1gq0 1 47 1 . . . . . 2.65 2.05 3.25 parsed_1gq0 1 48 1 . . . . . 2.7 2.1 3.3 parsed_1gq0 1 49 1 . . . . . 3.2 2.9 3.5 parsed_1gq0 1 50 1 . . . . . 3.6 3.2 4.0 parsed_1gq0 1 51 1 . . . . . 3.6 2.8 4.4 parsed_1gq0 1 52 1 . . . . . 3.8 3.0 4.6 parsed_1gq0 1 53 1 . . . . . 2.9 2.3 3.5 parsed_1gq0 1 54 1 . . . . . 3.3 3.0 3.6 parsed_1gq0 1 55 1 . . . . . 5.7 4.7 6.7 parsed_1gq0 1 56 1 . . . . . 3.4 3.1 3.7 parsed_1gq0 1 57 1 . . . . . 2.4 2.2 2.6 parsed_1gq0 1 58 1 . . . . . 3.4 2.8 4.0 parsed_1gq0 1 59 1 . . . . . 3.2 2.9 3.5 parsed_1gq0 1 60 1 . . . . . 2.8 2.2 3.4 parsed_1gq0 1 61 1 . . . . . 3.3 2.8 4.9 parsed_1gq0 1 62 1 . . . . . 2.8 2.2 3.4 parsed_1gq0 1 63 1 . . . . . 3.5 2.5 4.5 parsed_1gq0 1 64 1 . . . . . 3.4 3.1 3.7 parsed_1gq0 1 65 1 . . . . . 2.9 2.6 3.2 parsed_1gq0 1 66 1 . . . . . 4.2 3.2 5.2 parsed_1gq0 1 67 1 . . . . . 2.7 1.0 3.4 parsed_1gq0 1 68 1 . . . . . 3.0 2.4 3.6 parsed_1gq0 1 69 1 . . . . . 3.4 2.8 4.0 parsed_1gq0 1 70 1 . . . . . 3.3 2.7 3.9 parsed_1gq0 1 71 1 . . . . . 3.9 3.1 4.7 parsed_1gq0 1 72 1 . . . . . 3.8 3.0 4.6 parsed_1gq0 1 73 1 . . . . . 3.9 3.5 4.3 parsed_1gq0 1 74 1 . . . . . 4.3 3.3 5.3 parsed_1gq0 1 75 1 . . . . . 4.0 3.0 5.0 parsed_1gq0 1 76 1 . . . . . 5.7 4.9 6.5 parsed_1gq0 1 77 1 . . . . . 4.0 3.0 5.0 parsed_1gq0 1 78 1 . . . . . 4.5 4.0 5.3 parsed_1gq0 1 79 1 . . . . . 2.9 2.6 3.2 parsed_1gq0 1 80 1 . . . . . 4.0 3.2 4.8 parsed_1gq0 1 81 1 . . . . . 3.6 3.2 4.0 parsed_1gq0 1 82 1 . . . . . 3.8 3.0 4.6 parsed_1gq0 1 83 1 . . . . . 4.7 3.7 5.7 parsed_1gq0 1 84 1 . . . . . 3.6 2.8 4.4 parsed_1gq0 1 85 1 . . . . . 3.9 3.1 4.7 parsed_1gq0 1 86 1 . . . . . 2.7 2.1 3.3 parsed_1gq0 1 87 1 . . . . . 4.2 3.4 5.0 parsed_1gq0 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 ; a combination of renum_checked.tbl and 150_roe.tbl Marked M for restraints from mardigras, H for restraints by hand Violations of hybrid1/hybrid2_chain_a.pdb omitted for third run ; 1 1 3 65 parsed_1gq0 1 2 "M !error added" 4 77 4 93 parsed_1gq0 1 3 M 5 77 5 79 parsed_1gq0 1 4 "H !R" 6 77 6 82 parsed_1gq0 1 5 H 7 77 7 79 parsed_1gq0 1 6 "H !R swapped" 8 77 8 90 parsed_1gq0 1 7 "H !R swapped" 9 77 9 90 parsed_1gq0 1 8 "H !TBR" 10 77 10 84 parsed_1gq0 1 9 "H !TBR" 11 92 11 99 parsed_1gq0 1 10 "M !error added" 12 77 12 92 parsed_1gq0 1 11 "H !R" 13 77 13 82 parsed_1gq0 1 12 "M !TBR" 14 92 14 99 parsed_1gq0 1 13 M 15 77 15 79 parsed_1gq0 1 14 "M !R" 16 77 16 82 parsed_1gq0 1 15 "M !TBR" 17 77 17 85 parsed_1gq0 1 16 "M !TBR" 18 77 18 84 parsed_1gq0 1 17 H 19 77 19 79 parsed_1gq0 1 18 "M !R swapped" 20 77 20 90 parsed_1gq0 1 19 M 21 77 21 79 parsed_1gq0 1 20 "H !R swapped" 22 77 22 90 parsed_1gq0 1 21 "H !R swapped" 23 77 23 90 parsed_1gq0 1 22 "H error x2" 24 78 24 89 parsed_1gq0 1 23 "H !R swapped" 25 77 25 90 parsed_1gq0 1 24 "H !R swapped" 26 77 26 90 parsed_1gq0 1 25 "H error x2" 27 77 27 88 parsed_1gq0 1 26 "M !R or 2.6 0.6 0.6" 28 77 28 97 parsed_1gq0 1 27 "M !error added" 29 77 29 92 parsed_1gq0 1 28 "H error x2" 30 78 30 89 parsed_1gq0 1 29 "H !R" 31 77 31 82 parsed_1gq0 1 30 H 32 77 32 79 parsed_1gq0 1 31 "H error x2" 33 77 33 88 parsed_1gq0 1 32 "H !TBR error x2" 34 77 34 93 parsed_1gq0 1 33 "H !TBR error x2" 35 77 35 93 parsed_1gq0 1 34 "M !R" 36 77 36 82 parsed_1gq0 1 35 "M !R" 37 77 37 82 parsed_1gq0 1 36 "H !R or 2.8 0.3 0.3" 38 77 38 97 parsed_1gq0 1 37 "H !R or 3.5 0.4 0.4" 39 77 39 97 parsed_1gq0 1 38 "M !error added !TBR" 40 92 40 112 parsed_1gq0 1 39 "H !R" 41 77 41 82 parsed_1gq0 1 40 H 42 77 42 79 parsed_1gq0 1 41 "H !R" 43 77 43 82 parsed_1gq0 1 42 "M !R" 44 77 44 82 parsed_1gq0 1 43 "H !R or 3.8 0.4 0.4 error x2" 45 77 45 106 parsed_1gq0 1 44 "M !R swapped" 46 77 46 90 parsed_1gq0 1 45 H 47 77 47 79 parsed_1gq0 1 46 "H !R" 48 77 48 82 parsed_1gq0 1 47 "H !R" 49 77 49 82 parsed_1gq0 1 48 "H error x2" 50 78 50 89 parsed_1gq0 1 49 "H !TBR error x2" 51 77 51 93 parsed_1gq0 1 50 "H !R" 52 77 52 82 parsed_1gq0 1 51 "H !R" 53 77 53 82 parsed_1gq0 1 52 "H !R" 54 77 54 82 parsed_1gq0 1 53 "H !R or 3.5 0.8 0.8" 55 77 55 97 parsed_1gq0 1 54 H 56 77 56 79 parsed_1gq0 1 55 "H !R or 2.6 0.6 0.6" 57 77 57 97 parsed_1gq0 1 56 "M error added" 58 77 58 91 parsed_1gq0 1 57 "H !TBR or 2.4 0.2 0.2" 59 77 59 99 parsed_1gq0 1 58 "H !TBR or 3.4 0.3 0.3" 60 77 60 99 parsed_1gq0 1 59 "H error x2" 61 77 61 88 parsed_1gq0 1 60 "M? !R" 62 77 62 83 parsed_1gq0 1 61 "H !R or 3.7 0.4 0.4 error x2" 63 77 63 106 parsed_1gq0 1 62 "M !TBR (and below)" 64 77 64 96 parsed_1gq0 1 63 "H !TBR or 2.4 0.4 0.4" 65 77 65 99 parsed_1gq0 1 64 "M !error added !R" 66 77 66 95 parsed_1gq0 1 65 H 67 77 67 79 parsed_1gq0 1 66 "H !R or 3.7 0.4 0.4" 68 77 68 97 parsed_1gq0 1 67 "M !error added !R" 69 77 69 95 parsed_1gq0 1 68 M 70 77 70 79 parsed_1gq0 1 69 "H !R error x2" 71 77 71 91 parsed_1gq0 1 70 "H !R error x2" 72 77 72 91 parsed_1gq0 1 71 ; H error x2 !R or 3.2 0.3 0.3 all following restraints could be debatable ; 73 77 74 45 parsed_1gq0 1 72 H 75 77 75 79 parsed_1gq0 1 73 H 76 77 76 80 parsed_1gq0 1 74 "H !R" 77 77 77 82 parsed_1gq0 1 75 "M !error added" 78 77 78 92 parsed_1gq0 1 76 "M !error add !R" 79 77 79 93 parsed_1gq0 1 77 "M !R" 80 77 80 82 parsed_1gq0 1 78 "M !error add !R" 81 77 81 93 parsed_1gq0 1 79 "M !R" 82 77 82 82 parsed_1gq0 1 80 "H !R" 83 77 83 82 parsed_1gq0 1 81 ; H !R the following restraints added from r6 method ; 84 77 85 47 parsed_1gq0 1 82 "H !R" 86 77 86 82 parsed_1gq0 1 83 "H !R error x2" 87 77 87 91 parsed_1gq0 1 84 "H !R" 88 77 88 82 parsed_1gq0 1 85 "H !R" 89 77 89 82 parsed_1gq0 1 86 ; H !R error x2 above restraint could be 10 HB1*/2* to 8HN ; 90 77 91 44 parsed_1gq0 1 87 "H !R or 4.2 0.4 0.4 error x2" 92 77 92 106 parsed_1gq0 1 88 "H !R or 2.7 0.3 0.3 error x2" 93 77 93 106 parsed_1gq0 1 stop_ save_
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