NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
34041 | 1jar | 5140 | cing | 2-parsed | STAR | entry | full | 125 |
data_1jar_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1jar _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_1jar 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1jar _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 1jar "Master copy" parsed_1jar stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1jar _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 1jar.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1jar 1 1 1jar.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1jar 1 1 1jar.mr . . DYANA/DIANA 3 distance NOE simple 53 parsed_1jar 1 1 1jar.mr . . DYANA/DIANA 4 distance "general distance" simple 9 parsed_1jar 1 1 1jar.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1jar 1 1 1jar.mr . . DYANA/DIANA 6 distance NOE simple 53 parsed_1jar 1 1 1jar.mr . . DYANA/DIANA 7 distance "general distance" simple 10 parsed_1jar 1 1 1jar.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1jar 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_1jar _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 VIRUS/VIRAL PROTEIN 31-MAY-01 1JAR *TITLE SOLUTION STRUCTURE OF LACTAM ANALOGUE (DDAB)OF HIV GP41 600- *TITLE 2 612 LOOP. *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DDAB: (ACE)IWGDSGKLI(DAB)TTA ANALOGUE OF HIV *COMPND 3 GP41; *COMPND 4 CHAIN: A; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1 *KEYWDS LACTAM BOND, CYCLIC PEPTIDE, HIV GP41, PEPTIDOMIMETICS. *EXPDTA NMR, 49 STRUCTURES *AUTHOR A.PHAN CHAN DU, D.LIMAL, V.SEMETEY, H.DALI, M.JOLIVET, *AUTHOR 2 C.DESGRANGES, M.T.CUNG, J.P.BRIAND, M.C.PETIT, S.MULLER *REVDAT 1 01-JUL-03 1JAR 0 ; save_ save_MR_file_comment_2 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1jar _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 2 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; NMR restraints used for the structure calculation of DDab analogue peptide atom1 atom2 upper limit constraints ; save_ save_DYANA/DIANA_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1jar _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _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_1jar 1 2 1 . . . parsed_1jar 1 3 1 . . . parsed_1jar 1 4 1 . . . parsed_1jar 1 5 1 . . . parsed_1jar 1 6 1 . . . parsed_1jar 1 7 1 . . . parsed_1jar 1 8 1 . . . parsed_1jar 1 9 1 . . . parsed_1jar 1 10 1 . . . parsed_1jar 1 11 1 . . . parsed_1jar 1 12 1 . . . parsed_1jar 1 13 1 . . . parsed_1jar 1 14 1 . . . parsed_1jar 1 15 1 . . . parsed_1jar 1 16 1 . . . parsed_1jar 1 17 1 . . . parsed_1jar 1 18 1 . . . parsed_1jar 1 19 1 . . . parsed_1jar 1 20 1 . . . parsed_1jar 1 21 1 . . . parsed_1jar 1 22 1 . . . parsed_1jar 1 23 1 . . . parsed_1jar 1 24 1 . . . parsed_1jar 1 25 1 . . . parsed_1jar 1 26 1 . . . parsed_1jar 1 27 1 . . . parsed_1jar 1 28 1 . . . parsed_1jar 1 29 1 . . . parsed_1jar 1 30 1 . . . parsed_1jar 1 31 1 . . . parsed_1jar 1 32 1 . . . parsed_1jar 1 33 1 . . . parsed_1jar 1 34 1 . . . parsed_1jar 1 35 1 . . . parsed_1jar 1 36 1 . . . parsed_1jar 1 37 1 . . . parsed_1jar 1 38 1 . . . parsed_1jar 1 39 1 . . . parsed_1jar 1 40 1 . . . parsed_1jar 1 41 1 . . . parsed_1jar 1 42 1 . . . parsed_1jar 1 43 1 . . . parsed_1jar 1 44 1 . . . parsed_1jar 1 45 1 . . . parsed_1jar 1 46 1 . . . parsed_1jar 1 47 1 . . . parsed_1jar 1 48 1 . . . parsed_1jar 1 49 1 . . . parsed_1jar 1 50 1 . . . parsed_1jar 1 51 1 . . . parsed_1jar 1 52 1 . . . parsed_1jar 1 53 1 . . . parsed_1jar 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 . . . . . . . . . 2 ILE HN parsed_1jar 1 1 1 2 . . . . . . . . . 2 ILE HA parsed_1jar 1 2 1 1 . . . . . . . . . 2 ILE HN parsed_1jar 1 2 1 2 . . . . . . . . . 2 ILE HB parsed_1jar 1 3 1 1 . . . . . . . . . 2 ILE HN parsed_1jar 1 3 1 2 . . . . . . . . . 2 ILE QG2 parsed_1jar 1 4 1 1 . . . . . . . . . 2 ILE HN parsed_1jar 1 4 1 2 . . . . . . . . . 2 ILE QD1 parsed_1jar 1 5 1 1 . . . . . . . . . 2 ILE QD1 parsed_1jar 1 5 1 2 . . . . . . . . . 3 TRP HN parsed_1jar 1 6 1 1 . . . . . . . . . 3 TRP HN parsed_1jar 1 6 1 2 . . . . . . . . . 3 TRP HA parsed_1jar 1 7 1 1 . . . . . . . . . 3 TRP HN parsed_1jar 1 7 1 2 . . . . . . . . . 3 TRP HD1 parsed_1jar 1 8 1 1 . . . . . . . . . 3 TRP HN parsed_1jar 1 8 1 2 . . . . . . . . . 4 GLY HN parsed_1jar 1 9 1 1 . . . . . . . . . 3 TRP HA parsed_1jar 1 9 1 2 . . . . . . . . . 4 GLY HN parsed_1jar 1 10 1 1 . . . . . . . . . 3 TRP QB parsed_1jar 1 10 1 2 . . . . . . . . . 4 GLY HN parsed_1jar 1 11 1 1 . . . . . . . . . 4 GLY HN parsed_1jar 1 11 1 2 . . . . . . . . . 4 GLY QA parsed_1jar 1 12 1 1 . . . . . . . . . 5 APS HN parsed_1jar 1 12 1 2 . . . . . . . . . 5 APS HA parsed_1jar 1 13 1 1 . . . . . . . . . 5 APS HN parsed_1jar 1 13 1 2 . . . . . . . . . 5 APS QB parsed_1jar 1 14 1 1 . . . . . . . . . 5 APS HA parsed_1jar 1 14 1 2 . . . . . . . . . 6 SER HN parsed_1jar 1 15 1 1 . . . . . . . . . 5 APS QB parsed_1jar 1 15 1 2 . . . . . . . . . 11 DAB HD parsed_1jar 1 16 1 1 . . . . . . . . . 6 SER HN parsed_1jar 1 16 1 2 . . . . . . . . . 6 SER HA parsed_1jar 1 17 1 1 . . . . . . . . . 6 SER HN parsed_1jar 1 17 1 2 . . . . . . . . . 6 SER QB parsed_1jar 1 18 1 1 . . . . . . . . . 6 SER HN parsed_1jar 1 18 1 2 . . . . . . . . . 7 GLY HN parsed_1jar 1 19 1 1 . . . . . . . . . 6 SER HA parsed_1jar 1 19 1 2 . . . . . . . . . 7 GLY HN parsed_1jar 1 20 1 1 . . . . . . . . . 6 SER QB parsed_1jar 1 20 1 2 . . . . . . . . . 7 GLY HN parsed_1jar 1 21 1 1 . . . . . . . . . 7 GLY HN parsed_1jar 1 21 1 2 . . . . . . . . . 8 LYS HN parsed_1jar 1 22 1 1 . . . . . . . . . 7 GLY QA parsed_1jar 1 22 1 2 . . . . . . . . . 8 LYS HN parsed_1jar 1 23 1 1 . . . . . . . . . 8 LYS HN parsed_1jar 1 23 1 2 . . . . . . . . . 8 LYS HA parsed_1jar 1 24 1 1 . . . . . . . . . 8 LYS HN parsed_1jar 1 24 1 2 . . . . . . . . . 8 LYS QB parsed_1jar 1 25 1 1 . . . . . . . . . 8 LYS HN parsed_1jar 1 25 1 2 . . . . . . . . . 8 LYS QG parsed_1jar 1 26 1 1 . . . . . . . . . 8 LYS HN parsed_1jar 1 26 1 2 . . . . . . . . . 8 LYS QD parsed_1jar 1 27 1 1 . . . . . . . . . 10 ILE HN parsed_1jar 1 27 1 2 . . . . . . . . . 10 ILE HA parsed_1jar 1 28 1 1 . . . . . . . . . 10 ILE HN parsed_1jar 1 28 1 2 . . . . . . . . . 10 ILE HB parsed_1jar 1 29 1 1 . . . . . . . . . 10 ILE HN parsed_1jar 1 29 1 2 . . . . . . . . . 10 ILE QD1 parsed_1jar 1 30 1 1 . . . . . . . . . 10 ILE HN parsed_1jar 1 30 1 2 . . . . . . . . . 11 DAB HN parsed_1jar 1 31 1 1 . . . . . . . . . 10 ILE HN parsed_1jar 1 31 1 2 . . . . . . . . . 14 ALA HN parsed_1jar 1 32 1 1 . . . . . . . . . 10 ILE HA parsed_1jar 1 32 1 2 . . . . . . . . . 11 DAB HN parsed_1jar 1 33 1 1 . . . . . . . . . 10 ILE QG2 parsed_1jar 1 33 1 2 . . . . . . . . . 11 DAB HN parsed_1jar 1 34 1 1 . . . . . . . . . 10 ILE QD1 parsed_1jar 1 34 1 2 . . . . . . . . . 11 DAB HN parsed_1jar 1 35 1 1 . . . . . . . . . 10 ILE QD1 parsed_1jar 1 35 1 2 . . . . . . . . . 12 THR HN parsed_1jar 1 36 1 1 . . . . . . . . . 11 DAB HN parsed_1jar 1 36 1 2 . . . . . . . . . 11 DAB HA parsed_1jar 1 37 1 1 . . . . . . . . . 11 DAB HN parsed_1jar 1 37 1 2 . . . . . . . . . 11 DAB QB parsed_1jar 1 38 1 1 . . . . . . . . . 11 DAB HN parsed_1jar 1 38 1 2 . . . . . . . . . 11 DAB QG parsed_1jar 1 39 1 1 . . . . . . . . . 11 DAB HN parsed_1jar 1 39 1 2 . . . . . . . . . 12 THR HN parsed_1jar 1 40 1 1 . . . . . . . . . 11 DAB HA parsed_1jar 1 40 1 2 . . . . . . . . . 11 DAB HD parsed_1jar 1 41 1 1 . . . . . . . . . 11 DAB HA parsed_1jar 1 41 1 2 . . . . . . . . . 12 THR HN parsed_1jar 1 42 1 1 . . . . . . . . . 11 DAB QB parsed_1jar 1 42 1 2 . . . . . . . . . 11 DAB HD parsed_1jar 1 43 1 1 . . . . . . . . . 11 DAB QB parsed_1jar 1 43 1 2 . . . . . . . . . 12 THR HN parsed_1jar 1 44 1 1 . . . . . . . . . 11 DAB QG parsed_1jar 1 44 1 2 . . . . . . . . . 11 DAB HD parsed_1jar 1 45 1 1 . . . . . . . . . 12 THR HN parsed_1jar 1 45 1 2 . . . . . . . . . 12 THR HA parsed_1jar 1 46 1 1 . . . . . . . . . 12 THR HN parsed_1jar 1 46 1 2 . . . . . . . . . 12 THR HB parsed_1jar 1 47 1 1 . . . . . . . . . 12 THR HN parsed_1jar 1 47 1 2 . . . . . . . . . 12 THR QG2 parsed_1jar 1 48 1 1 . . . . . . . . . 12 THR HB parsed_1jar 1 48 1 2 . . . . . . . . . 13 THR HN parsed_1jar 1 49 1 1 . . . . . . . . . 13 THR HN parsed_1jar 1 49 1 2 . . . . . . . . . 13 THR HA parsed_1jar 1 50 1 1 . . . . . . . . . 13 THR HN parsed_1jar 1 50 1 2 . . . . . . . . . 13 THR HB parsed_1jar 1 51 1 1 . . . . . . . . . 13 THR HN parsed_1jar 1 51 1 2 . . . . . . . . . 13 THR QG2 parsed_1jar 1 52 1 1 . . . . . . . . . 14 ALA HN parsed_1jar 1 52 1 2 . . . . . . . . . 14 ALA HA parsed_1jar 1 53 1 1 . . . . . . . . . 14 ALA HN parsed_1jar 1 53 1 2 . . . . . . . . . 14 ALA QB parsed_1jar 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 . . . . . . . 3.80 parsed_1jar 1 2 1 . . . . . . . 3.80 parsed_1jar 1 3 1 . . . . . . . 5.50 parsed_1jar 1 4 1 . . . . . . . 5.50 parsed_1jar 1 5 1 . . . . . . . 5.50 parsed_1jar 1 6 1 . . . . . . . 3.80 parsed_1jar 1 7 1 . . . . . . . 5.50 parsed_1jar 1 8 1 . . . . . . . 3.80 parsed_1jar 1 9 1 . . . . . . . 3.80 parsed_1jar 1 10 1 . . . . . . . 4.80 parsed_1jar 1 11 1 . . . . . . . 3.80 parsed_1jar 1 12 1 . . . . . . . 3.80 parsed_1jar 1 13 1 . . . . . . . 3.80 parsed_1jar 1 14 1 . . . . . . . 3.80 parsed_1jar 1 15 1 . . . . . . . 3.80 parsed_1jar 1 16 1 . . . . . . . 2.80 parsed_1jar 1 17 1 . . . . . . . 4.80 parsed_1jar 1 18 1 . . . . . . . 3.80 parsed_1jar 1 19 1 . . . . . . . 3.80 parsed_1jar 1 20 1 . . . . . . . 3.80 parsed_1jar 1 21 1 . . . . . . . 3.80 parsed_1jar 1 22 1 . . . . . . . 3.80 parsed_1jar 1 23 1 . . . . . . . 3.80 parsed_1jar 1 24 1 . . . . . . . 3.80 parsed_1jar 1 25 1 . . . . . . . 5.50 parsed_1jar 1 26 1 . . . . . . . 5.50 parsed_1jar 1 27 1 . . . . . . . 3.80 parsed_1jar 1 28 1 . . . . . . . 3.80 parsed_1jar 1 29 1 . . . . . . . 5.50 parsed_1jar 1 30 1 . . . . . . . 3.80 parsed_1jar 1 31 1 . . . . . . . 4.80 parsed_1jar 1 32 1 . . . . . . . 2.80 parsed_1jar 1 33 1 . . . . . . . 5.50 parsed_1jar 1 34 1 . . . . . . . 5.50 parsed_1jar 1 35 1 . . . . . . . 5.50 parsed_1jar 1 36 1 . . . . . . . 3.80 parsed_1jar 1 37 1 . . . . . . . 3.80 parsed_1jar 1 38 1 . . . . . . . 5.50 parsed_1jar 1 39 1 . . . . . . . 3.80 parsed_1jar 1 40 1 . . . . . . . 5.50 parsed_1jar 1 41 1 . . . . . . . 3.80 parsed_1jar 1 42 1 . . . . . . . 4.80 parsed_1jar 1 43 1 . . . . . . . 4.80 parsed_1jar 1 44 1 . . . . . . . 3.80 parsed_1jar 1 45 1 . . . . . . . 3.80 parsed_1jar 1 46 1 . . . . . . . 3.80 parsed_1jar 1 47 1 . . . . . . . 5.50 parsed_1jar 1 48 1 . . . . . . . 3.80 parsed_1jar 1 49 1 . . . . . . . 3.80 parsed_1jar 1 50 1 . . . . . . . 3.80 parsed_1jar 1 51 1 . . . . . . . 5.50 parsed_1jar 1 52 1 . . . . . . . 2.80 parsed_1jar 1 53 1 . . . . . . . 3.80 parsed_1jar 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1jar _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "general distance" _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_1jar 2 2 1 . . . parsed_1jar 2 3 1 . . . parsed_1jar 2 4 1 . . . parsed_1jar 2 5 1 . . . parsed_1jar 2 6 1 . . . parsed_1jar 2 7 1 . . . parsed_1jar 2 8 1 . . . parsed_1jar 2 9 1 . . . parsed_1jar 2 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 . . . . . . . . . 5 APS CG parsed_1jar 2 1 1 2 . . . . . . . . . 11 DAB ND parsed_1jar 2 2 1 1 . . . . . . . . . 5 APS CB parsed_1jar 2 2 1 2 . . . . . . . . . 11 DAB ND parsed_1jar 2 3 1 1 . . . . . . . . . 5 APS OD1 parsed_1jar 2 3 1 2 . . . . . . . . . 11 DAB ND parsed_1jar 2 4 1 1 . . . . . . . . . 5 APS CG parsed_1jar 2 4 1 2 . . . . . . . . . 11 DAB CG parsed_1jar 2 5 1 1 . . . . . . . . . 5 APS CG parsed_1jar 2 5 1 2 . . . . . . . . . 11 DAB HD parsed_1jar 2 6 1 1 . . . . . . . . . 5 APS OD1 parsed_1jar 2 6 1 2 . . . . . . . . . 11 DAB CG parsed_1jar 2 7 1 1 . . . . . . . . . 5 APS OD1 parsed_1jar 2 7 1 2 . . . . . . . . . 11 DAB HD parsed_1jar 2 8 1 1 . . . . . . . . . 5 APS CB parsed_1jar 2 8 1 2 . . . . . . . . . 5 APS OD1 parsed_1jar 2 9 1 1 . . . . . . . . . 11 DAB HD parsed_1jar 2 9 1 2 . . . . . . . . . 11 DAB CG parsed_1jar 2 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 . . . . . . . 1.31 parsed_1jar 2 2 1 . . . . . . . 2.36 parsed_1jar 2 3 1 . . . . . . . 2.25 parsed_1jar 2 4 1 . . . . . . . 2.43 parsed_1jar 2 5 1 . . . . . . . 2.05 parsed_1jar 2 6 1 . . . . . . . 2.75 parsed_1jar 2 7 1 . . . . . . . 3.19 parsed_1jar 2 8 1 . . . . . . . 2.43 parsed_1jar 2 9 1 . . . . . . . 2.34 parsed_1jar 2 stop_ loop_ _Dist_constraint_parse_err.ID _Dist_constraint_parse_err.Content _Dist_constraint_parse_err.Begin_line _Dist_constraint_parse_err.Begin_column _Dist_constraint_parse_err.End_line _Dist_constraint_parse_err.End_column _Dist_constraint_parse_err.Entry_ID _Dist_constraint_parse_err.Distance_constraint_list_ID 1 ; 5 APS CB 11 DAB CG 3.79 "5 APS CB" 11 DAB HD 2.41 ; 6 1 7 27 parsed_1jar 2 stop_ save_ save_MR_file_comment_5 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1jar _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 5 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; atom1 atom2 lower limit constraints ; save_ save_DYANA/DIANA_distance_constraints_6 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1jar _Distance_constraint_list.ID 3 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 6 _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_1jar 3 2 1 . . . parsed_1jar 3 3 1 . . . parsed_1jar 3 4 1 . . . parsed_1jar 3 5 1 . . . parsed_1jar 3 6 1 . . . parsed_1jar 3 7 1 . . . parsed_1jar 3 8 1 . . . parsed_1jar 3 9 1 . . . parsed_1jar 3 10 1 . . . parsed_1jar 3 11 1 . . . parsed_1jar 3 12 1 . . . parsed_1jar 3 13 1 . . . parsed_1jar 3 14 1 . . . parsed_1jar 3 15 1 . . . parsed_1jar 3 16 1 . . . parsed_1jar 3 17 1 . . . parsed_1jar 3 18 1 . . . parsed_1jar 3 19 1 . . . parsed_1jar 3 20 1 . . . parsed_1jar 3 21 1 . . . parsed_1jar 3 22 1 . . . parsed_1jar 3 23 1 . . . parsed_1jar 3 24 1 . . . parsed_1jar 3 25 1 . . . parsed_1jar 3 26 1 . . . parsed_1jar 3 27 1 . . . parsed_1jar 3 28 1 . . . parsed_1jar 3 29 1 . . . parsed_1jar 3 30 1 . . . parsed_1jar 3 31 1 . . . parsed_1jar 3 32 1 . . . parsed_1jar 3 33 1 . . . parsed_1jar 3 34 1 . . . parsed_1jar 3 35 1 . . . parsed_1jar 3 36 1 . . . parsed_1jar 3 37 1 . . . parsed_1jar 3 38 1 . . . parsed_1jar 3 39 1 . . . parsed_1jar 3 40 1 . . . parsed_1jar 3 41 1 . . . parsed_1jar 3 42 1 . . . parsed_1jar 3 43 1 . . . parsed_1jar 3 44 1 . . . parsed_1jar 3 45 1 . . . parsed_1jar 3 46 1 . . . parsed_1jar 3 47 1 . . . parsed_1jar 3 48 1 . . . parsed_1jar 3 49 1 . . . parsed_1jar 3 50 1 . . . parsed_1jar 3 51 1 . . . parsed_1jar 3 52 1 . . . parsed_1jar 3 53 1 . . . parsed_1jar 3 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 . . . . . . . . . 2 ILE HN parsed_1jar 3 1 1 2 . . . . . . . . . 2 ILE HA parsed_1jar 3 2 1 1 . . . . . . . . . 2 ILE HN parsed_1jar 3 2 1 2 . . . . . . . . . 2 ILE HB parsed_1jar 3 3 1 1 . . . . . . . . . 2 ILE HN parsed_1jar 3 3 1 2 . . . . . . . . . 2 ILE QG2 parsed_1jar 3 4 1 1 . . . . . . . . . 2 ILE HN parsed_1jar 3 4 1 2 . . . . . . . . . 2 ILE QD1 parsed_1jar 3 5 1 1 . . . . . . . . . 2 ILE QD1 parsed_1jar 3 5 1 2 . . . . . . . . . 3 TRP HN parsed_1jar 3 6 1 1 . . . . . . . . . 3 TRP HN parsed_1jar 3 6 1 2 . . . . . . . . . 3 TRP HA parsed_1jar 3 7 1 1 . . . . . . . . . 3 TRP HN parsed_1jar 3 7 1 2 . . . . . . . . . 3 TRP HD1 parsed_1jar 3 8 1 1 . . . . . . . . . 3 TRP HN parsed_1jar 3 8 1 2 . . . . . . . . . 4 GLY HN parsed_1jar 3 9 1 1 . . . . . . . . . 3 TRP HA parsed_1jar 3 9 1 2 . . . . . . . . . 4 GLY HN parsed_1jar 3 10 1 1 . . . . . . . . . 3 TRP QB parsed_1jar 3 10 1 2 . . . . . . . . . 4 GLY HN parsed_1jar 3 11 1 1 . . . . . . . . . 4 GLY HN parsed_1jar 3 11 1 2 . . . . . . . . . 4 GLY QA parsed_1jar 3 12 1 1 . . . . . . . . . 5 APS HN parsed_1jar 3 12 1 2 . . . . . . . . . 5 APS HA parsed_1jar 3 13 1 1 . . . . . . . . . 5 APS HN parsed_1jar 3 13 1 2 . . . . . . . . . 5 APS QB parsed_1jar 3 14 1 1 . . . . . . . . . 5 APS HA parsed_1jar 3 14 1 2 . . . . . . . . . 6 SER HN parsed_1jar 3 15 1 1 . . . . . . . . . 5 APS QB parsed_1jar 3 15 1 2 . . . . . . . . . 11 DAB HD parsed_1jar 3 16 1 1 . . . . . . . . . 6 SER HN parsed_1jar 3 16 1 2 . . . . . . . . . 6 SER HA parsed_1jar 3 17 1 1 . . . . . . . . . 6 SER HN parsed_1jar 3 17 1 2 . . . . . . . . . 6 SER QB parsed_1jar 3 18 1 1 . . . . . . . . . 6 SER HN parsed_1jar 3 18 1 2 . . . . . . . . . 7 GLY HN parsed_1jar 3 19 1 1 . . . . . . . . . 6 SER HA parsed_1jar 3 19 1 2 . . . . . . . . . 7 GLY HN parsed_1jar 3 20 1 1 . . . . . . . . . 6 SER QB parsed_1jar 3 20 1 2 . . . . . . . . . 7 GLY HN parsed_1jar 3 21 1 1 . . . . . . . . . 7 GLY HN parsed_1jar 3 21 1 2 . . . . . . . . . 8 LYS HN parsed_1jar 3 22 1 1 . . . . . . . . . 7 GLY QA parsed_1jar 3 22 1 2 . . . . . . . . . 8 LYS HN parsed_1jar 3 23 1 1 . . . . . . . . . 8 LYS HN parsed_1jar 3 23 1 2 . . . . . . . . . 8 LYS HA parsed_1jar 3 24 1 1 . . . . . . . . . 8 LYS HN parsed_1jar 3 24 1 2 . . . . . . . . . 8 LYS QB parsed_1jar 3 25 1 1 . . . . . . . . . 8 LYS HN parsed_1jar 3 25 1 2 . . . . . . . . . 8 LYS QG parsed_1jar 3 26 1 1 . . . . . . . . . 8 LYS HN parsed_1jar 3 26 1 2 . . . . . . . . . 8 LYS QD parsed_1jar 3 27 1 1 . . . . . . . . . 10 ILE HN parsed_1jar 3 27 1 2 . . . . . . . . . 10 ILE HA parsed_1jar 3 28 1 1 . . . . . . . . . 10 ILE HN parsed_1jar 3 28 1 2 . . . . . . . . . 10 ILE HB parsed_1jar 3 29 1 1 . . . . . . . . . 10 ILE HN parsed_1jar 3 29 1 2 . . . . . . . . . 10 ILE QD1 parsed_1jar 3 30 1 1 . . . . . . . . . 10 ILE HN parsed_1jar 3 30 1 2 . . . . . . . . . 11 DAB HN parsed_1jar 3 31 1 1 . . . . . . . . . 10 ILE HN parsed_1jar 3 31 1 2 . . . . . . . . . 14 ALA HN parsed_1jar 3 32 1 1 . . . . . . . . . 10 ILE HA parsed_1jar 3 32 1 2 . . . . . . . . . 11 DAB HN parsed_1jar 3 33 1 1 . . . . . . . . . 10 ILE QG2 parsed_1jar 3 33 1 2 . . . . . . . . . 11 DAB HN parsed_1jar 3 34 1 1 . . . . . . . . . 10 ILE QD1 parsed_1jar 3 34 1 2 . . . . . . . . . 11 DAB HN parsed_1jar 3 35 1 1 . . . . . . . . . 10 ILE QD1 parsed_1jar 3 35 1 2 . . . . . . . . . 12 THR HN parsed_1jar 3 36 1 1 . . . . . . . . . 11 DAB HN parsed_1jar 3 36 1 2 . . . . . . . . . 11 DAB HA parsed_1jar 3 37 1 1 . . . . . . . . . 11 DAB HN parsed_1jar 3 37 1 2 . . . . . . . . . 11 DAB QB parsed_1jar 3 38 1 1 . . . . . . . . . 11 DAB HN parsed_1jar 3 38 1 2 . . . . . . . . . 11 DAB QG parsed_1jar 3 39 1 1 . . . . . . . . . 11 DAB HN parsed_1jar 3 39 1 2 . . . . . . . . . 12 THR HN parsed_1jar 3 40 1 1 . . . . . . . . . 11 DAB HA parsed_1jar 3 40 1 2 . . . . . . . . . 11 DAB HD parsed_1jar 3 41 1 1 . . . . . . . . . 11 DAB HA parsed_1jar 3 41 1 2 . . . . . . . . . 12 THR HN parsed_1jar 3 42 1 1 . . . . . . . . . 11 DAB QB parsed_1jar 3 42 1 2 . . . . . . . . . 11 DAB HD parsed_1jar 3 43 1 1 . . . . . . . . . 11 DAB QB parsed_1jar 3 43 1 2 . . . . . . . . . 12 THR HN parsed_1jar 3 44 1 1 . . . . . . . . . 11 DAB QG parsed_1jar 3 44 1 2 . . . . . . . . . 11 DAB HD parsed_1jar 3 45 1 1 . . . . . . . . . 12 THR HN parsed_1jar 3 45 1 2 . . . . . . . . . 12 THR HA parsed_1jar 3 46 1 1 . . . . . . . . . 12 THR HN parsed_1jar 3 46 1 2 . . . . . . . . . 12 THR HB parsed_1jar 3 47 1 1 . . . . . . . . . 12 THR HN parsed_1jar 3 47 1 2 . . . . . . . . . 12 THR QG2 parsed_1jar 3 48 1 1 . . . . . . . . . 12 THR HB parsed_1jar 3 48 1 2 . . . . . . . . . 13 THR HN parsed_1jar 3 49 1 1 . . . . . . . . . 13 THR HN parsed_1jar 3 49 1 2 . . . . . . . . . 13 THR HA parsed_1jar 3 50 1 1 . . . . . . . . . 13 THR HN parsed_1jar 3 50 1 2 . . . . . . . . . 13 THR HB parsed_1jar 3 51 1 1 . . . . . . . . . 13 THR HN parsed_1jar 3 51 1 2 . . . . . . . . . 13 THR QG2 parsed_1jar 3 52 1 1 . . . . . . . . . 14 ALA HN parsed_1jar 3 52 1 2 . . . . . . . . . 14 ALA HA parsed_1jar 3 53 1 1 . . . . . . . . . 14 ALA HN parsed_1jar 3 53 1 2 . . . . . . . . . 14 ALA QB parsed_1jar 3 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 . . . . . . 2.80 . parsed_1jar 3 2 1 . . . . . . 2.80 . parsed_1jar 3 3 1 . . . . . . 4.80 . parsed_1jar 3 4 1 . . . . . . 4.80 . parsed_1jar 3 5 1 . . . . . . 4.80 . parsed_1jar 3 6 1 . . . . . . 2.80 . parsed_1jar 3 7 1 . . . . . . 4.50 . parsed_1jar 3 8 1 . . . . . . 2.80 . parsed_1jar 3 9 1 . . . . . . 2.80 . parsed_1jar 3 10 1 . . . . . . 3.80 . parsed_1jar 3 11 1 . . . . . . 2.80 . parsed_1jar 3 12 1 . . . . . . 2.80 . parsed_1jar 3 13 1 . . . . . . 2.80 . parsed_1jar 3 14 1 . . . . . . 2.80 . parsed_1jar 3 15 1 . . . . . . 2.80 . parsed_1jar 3 16 1 . . . . . . 1.80 . parsed_1jar 3 17 1 . . . . . . 3.80 . parsed_1jar 3 18 1 . . . . . . 2.80 . parsed_1jar 3 19 1 . . . . . . 2.80 . parsed_1jar 3 20 1 . . . . . . 2.80 . parsed_1jar 3 21 1 . . . . . . 2.80 . parsed_1jar 3 22 1 . . . . . . 2.80 . parsed_1jar 3 23 1 . . . . . . 2.80 . parsed_1jar 3 24 1 . . . . . . 2.80 . parsed_1jar 3 25 1 . . . . . . 4.50 . parsed_1jar 3 26 1 . . . . . . 4.50 . parsed_1jar 3 27 1 . . . . . . 2.80 . parsed_1jar 3 28 1 . . . . . . 2.80 . parsed_1jar 3 29 1 . . . . . . 4.50 . parsed_1jar 3 30 1 . . . . . . 2.80 . parsed_1jar 3 31 1 . . . . . . 3.80 . parsed_1jar 3 32 1 . . . . . . 1.80 . parsed_1jar 3 33 1 . . . . . . 4.50 . parsed_1jar 3 34 1 . . . . . . 4.50 . parsed_1jar 3 35 1 . . . . . . 4.50 . parsed_1jar 3 36 1 . . . . . . 2.80 . parsed_1jar 3 37 1 . . . . . . 2.80 . parsed_1jar 3 38 1 . . . . . . 3.80 . parsed_1jar 3 39 1 . . . . . . 2.80 . parsed_1jar 3 40 1 . . . . . . 3.80 . parsed_1jar 3 41 1 . . . . . . 2.80 . parsed_1jar 3 42 1 . . . . . . 3.80 . parsed_1jar 3 43 1 . . . . . . 3.80 . parsed_1jar 3 44 1 . . . . . . 2.80 . parsed_1jar 3 45 1 . . . . . . 2.80 . parsed_1jar 3 46 1 . . . . . . 2.80 . parsed_1jar 3 47 1 . . . . . . 4.50 . parsed_1jar 3 48 1 . . . . . . 2.80 . parsed_1jar 3 49 1 . . . . . . 2.80 . parsed_1jar 3 50 1 . . . . . . 2.80 . parsed_1jar 3 51 1 . . . . . . 4.50 . parsed_1jar 3 52 1 . . . . . . 1.80 . parsed_1jar 3 53 1 . . . . . . 2.80 . parsed_1jar 3 stop_ save_ save_DYANA/DIANA_distance_constraints_7 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1jar _Distance_constraint_list.ID 4 _Distance_constraint_list.Constraint_type "general distance" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 7 _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_1jar 4 2 1 . . . parsed_1jar 4 3 1 . . . parsed_1jar 4 4 1 . . . parsed_1jar 4 5 1 . . . parsed_1jar 4 6 1 . . . parsed_1jar 4 7 1 . . . parsed_1jar 4 8 1 . . . parsed_1jar 4 9 1 . . . parsed_1jar 4 10 1 . . . parsed_1jar 4 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 . . . . . . . . . 5 APS CG parsed_1jar 4 1 1 2 . . . . . . . . . 11 DAB ND parsed_1jar 4 2 1 1 . . . . . . . . . 5 APS CG parsed_1jar 4 2 1 2 . . . . . . . . . 11 DAB ND parsed_1jar 4 3 1 1 . . . . . . . . . 5 APS CB parsed_1jar 4 3 1 2 . . . . . . . . . 11 DAB ND parsed_1jar 4 4 1 1 . . . . . . . . . 5 APS OD1 parsed_1jar 4 4 1 2 . . . . . . . . . 11 DAB ND parsed_1jar 4 5 1 1 . . . . . . . . . 5 APS CG parsed_1jar 4 5 1 2 . . . . . . . . . 11 DAB CG parsed_1jar 4 6 1 1 . . . . . . . . . 5 APS CG parsed_1jar 4 6 1 2 . . . . . . . . . 11 DAB HD parsed_1jar 4 7 1 1 . . . . . . . . . 5 APS OD1 parsed_1jar 4 7 1 2 . . . . . . . . . 11 DAB CG parsed_1jar 4 8 1 1 . . . . . . . . . 5 APS OD1 parsed_1jar 4 8 1 2 . . . . . . . . . 11 DAB HD parsed_1jar 4 9 1 1 . . . . . . . . . 5 APS CB parsed_1jar 4 9 1 2 . . . . . . . . . 5 APS OD1 parsed_1jar 4 10 1 1 . . . . . . . . . 11 DAB HD parsed_1jar 4 10 1 2 . . . . . . . . . 11 DAB CG parsed_1jar 4 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 . . . . . . 1.31 . parsed_1jar 4 2 1 . . . . . . 1.31 . parsed_1jar 4 3 1 . . . . . . 2.36 . parsed_1jar 4 4 1 . . . . . . 2.25 . parsed_1jar 4 5 1 . . . . . . 2.43 . parsed_1jar 4 6 1 . . . . . . 2.05 . parsed_1jar 4 7 1 . . . . . . 2.75 . parsed_1jar 4 8 1 . . . . . . 3.19 . parsed_1jar 4 9 1 . . . . . . 2.43 . parsed_1jar 4 10 1 . . . . . . 2.34 . parsed_1jar 4 stop_ loop_ _Dist_constraint_parse_err.ID _Dist_constraint_parse_err.Content _Dist_constraint_parse_err.Begin_line _Dist_constraint_parse_err.Begin_column _Dist_constraint_parse_err.End_line _Dist_constraint_parse_err.End_column _Dist_constraint_parse_err.Entry_ID _Dist_constraint_parse_err.Distance_constraint_list_ID 1 ; 5 APS CB 11 DAB CG 3.79 " 5 APS CB" 11 DAB HD 2.41 ; 7 1 8 29 parsed_1jar 4 stop_ save_
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