NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
622213 | 5ykk | 36124 | cing | 2-parsed | STAR | entry | full | 152 |
data_5ykk_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_5ykk _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_5ykk 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_5ykk _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 5ykk "Master copy" parsed_5ykk stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_5ykk _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 5ykk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5ykk 1 1 5ykk.mr . . DYANA/DIANA 2 distance NOE simple 125 parsed_5ykk 1 1 5ykk.mr . . DYANA/DIANA 3 sequence "Not applicable" "Not applicable" 0 parsed_5ykk 1 1 5ykk.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 27 parsed_5ykk 1 1 5ykk.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5ykk 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_5ykk _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 ANTIMICROBIAL PROTEIN 15-OCT-17 5YKK *TITLE ANTIMICROBIAL PEPTIDE ANDERSONIN-Y1 (AY1) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ANDERSONIN-Y1 (AY1); *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: ODORRANA ANDERSONII; *SOURCE 4 ORGANISM_TAXID: 369514 *KEYWDS CYANA 2.1, ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR I.PAL,H.S.ATREYA,A.BHUNIA *REVDAT 1 01-NOV-17 5YKK 0 ; save_ save_DYANA/DIANA_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_5ykk _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_5ykk 1 2 1 . . . parsed_5ykk 1 3 1 . . . parsed_5ykk 1 4 1 . . . parsed_5ykk 1 5 1 . . . parsed_5ykk 1 6 1 . . . parsed_5ykk 1 7 1 . . . parsed_5ykk 1 8 1 . . . parsed_5ykk 1 9 1 . . . parsed_5ykk 1 10 1 . . . parsed_5ykk 1 11 1 . . . parsed_5ykk 1 12 1 . . . parsed_5ykk 1 13 1 . . . parsed_5ykk 1 14 1 . . . parsed_5ykk 1 15 1 . . . parsed_5ykk 1 16 1 . . . parsed_5ykk 1 17 1 . . . parsed_5ykk 1 18 1 . . . parsed_5ykk 1 19 1 . . . parsed_5ykk 1 20 1 . . . parsed_5ykk 1 21 1 . . . parsed_5ykk 1 22 1 . . . parsed_5ykk 1 23 1 . . . parsed_5ykk 1 24 1 . . . parsed_5ykk 1 25 1 . . . parsed_5ykk 1 26 1 . . . parsed_5ykk 1 27 1 . . . parsed_5ykk 1 28 1 . . . parsed_5ykk 1 29 1 . . . parsed_5ykk 1 30 1 . . . parsed_5ykk 1 31 1 . . . parsed_5ykk 1 32 1 . . . parsed_5ykk 1 33 1 . . . parsed_5ykk 1 34 1 . . . parsed_5ykk 1 35 1 . . . parsed_5ykk 1 36 1 . . . parsed_5ykk 1 37 1 . . . parsed_5ykk 1 38 1 . . . parsed_5ykk 1 39 1 . . . parsed_5ykk 1 40 1 . . . parsed_5ykk 1 41 1 . . . parsed_5ykk 1 42 1 . . . parsed_5ykk 1 43 1 . . . parsed_5ykk 1 44 1 . . . parsed_5ykk 1 45 1 . . . parsed_5ykk 1 46 1 . . . parsed_5ykk 1 47 1 . . . parsed_5ykk 1 48 1 . . . parsed_5ykk 1 49 1 . . . parsed_5ykk 1 50 1 . . . parsed_5ykk 1 51 1 . . . parsed_5ykk 1 52 1 . . . parsed_5ykk 1 53 1 . . . parsed_5ykk 1 54 1 . . . parsed_5ykk 1 55 1 . . . parsed_5ykk 1 56 1 . . . parsed_5ykk 1 57 1 . . . parsed_5ykk 1 58 1 . . . parsed_5ykk 1 59 1 . . . parsed_5ykk 1 60 1 . . . parsed_5ykk 1 61 1 . . . parsed_5ykk 1 62 1 . . . parsed_5ykk 1 63 1 . . . parsed_5ykk 1 64 1 . . . parsed_5ykk 1 65 1 . . . parsed_5ykk 1 66 1 . . . parsed_5ykk 1 67 1 . . . parsed_5ykk 1 68 1 . . . parsed_5ykk 1 69 1 . . . parsed_5ykk 1 70 1 . . . parsed_5ykk 1 71 1 . . . parsed_5ykk 1 72 1 . . . parsed_5ykk 1 73 1 . . . parsed_5ykk 1 74 1 . . . parsed_5ykk 1 75 1 . . . parsed_5ykk 1 76 1 . . . parsed_5ykk 1 77 1 . . . parsed_5ykk 1 78 1 . . . parsed_5ykk 1 79 1 . . . parsed_5ykk 1 80 1 . . . parsed_5ykk 1 81 1 . . . parsed_5ykk 1 82 1 . . . parsed_5ykk 1 83 1 . . . parsed_5ykk 1 84 1 . . . parsed_5ykk 1 85 1 . . . parsed_5ykk 1 86 1 . . . parsed_5ykk 1 87 1 . . . parsed_5ykk 1 88 1 . . . parsed_5ykk 1 89 1 . . . parsed_5ykk 1 90 1 . . . parsed_5ykk 1 91 1 . . . parsed_5ykk 1 92 1 . . . parsed_5ykk 1 93 1 . . . parsed_5ykk 1 94 1 . . . parsed_5ykk 1 95 1 . . . parsed_5ykk 1 96 1 . . . parsed_5ykk 1 97 1 . . . parsed_5ykk 1 98 1 . . . parsed_5ykk 1 99 1 . . . parsed_5ykk 1 100 1 . . . parsed_5ykk 1 101 1 . . . parsed_5ykk 1 102 1 . . . parsed_5ykk 1 103 1 . . . parsed_5ykk 1 104 1 . . . parsed_5ykk 1 105 1 . . . parsed_5ykk 1 106 1 . . . parsed_5ykk 1 107 1 . . . parsed_5ykk 1 108 1 . . . parsed_5ykk 1 109 1 . . . parsed_5ykk 1 110 1 . . . parsed_5ykk 1 111 1 . . . parsed_5ykk 1 112 1 . . . parsed_5ykk 1 113 1 . . . parsed_5ykk 1 114 1 . . . parsed_5ykk 1 115 1 . . . parsed_5ykk 1 116 1 . . . parsed_5ykk 1 117 1 . . . parsed_5ykk 1 118 1 . . . parsed_5ykk 1 119 1 . . . parsed_5ykk 1 120 1 . . . parsed_5ykk 1 121 1 . . . parsed_5ykk 1 122 1 . . . parsed_5ykk 1 123 1 . . . parsed_5ykk 1 124 1 . . . parsed_5ykk 1 125 1 . . . parsed_5ykk 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 PHE QB parsed_5ykk 1 1 1 2 . . . . . . . . . 2 LEU H parsed_5ykk 1 2 1 1 . . . . . . . . . 2 LEU QB parsed_5ykk 1 2 1 2 . . . . . . . . . 2 LEU H parsed_5ykk 1 3 1 1 . . . . . . . . . 2 LEU QQD parsed_5ykk 1 3 1 2 . . . . . . . . . 2 LEU H parsed_5ykk 1 4 1 1 . . . . . . . . . 2 LEU HA parsed_5ykk 1 4 1 2 . . . . . . . . . 3 PRO QD parsed_5ykk 1 5 1 1 . . . . . . . . . 4 LYS HA parsed_5ykk 1 5 1 2 . . . . . . . . . 5 LEU H parsed_5ykk 1 6 1 1 . . . . . . . . . 4 LYS QB parsed_5ykk 1 6 1 2 . . . . . . . . . 5 LEU H parsed_5ykk 1 7 1 1 . . . . . . . . . 4 LYS QG parsed_5ykk 1 7 1 2 . . . . . . . . . 5 LEU H parsed_5ykk 1 8 1 1 . . . . . . . . . 4 LYS H parsed_5ykk 1 8 1 2 . . . . . . . . . 5 LEU H parsed_5ykk 1 9 1 1 . . . . . . . . . 4 LYS HA parsed_5ykk 1 9 1 2 . . . . . . . . . 7 ALA H parsed_5ykk 1 10 1 1 . . . . . . . . . 4 LYS HA parsed_5ykk 1 10 1 2 . . . . . . . . . 6 PHE H parsed_5ykk 1 11 1 1 . . . . . . . . . 4 LYS QB parsed_5ykk 1 11 1 2 . . . . . . . . . 7 ALA H parsed_5ykk 1 12 1 1 . . . . . . . . . 4 LYS H parsed_5ykk 1 12 1 2 . . . . . . . . . 4 LYS QB parsed_5ykk 1 13 1 1 . . . . . . . . . 4 LYS H parsed_5ykk 1 13 1 2 . . . . . . . . . 4 LYS QG parsed_5ykk 1 14 1 1 . . . . . . . . . 4 LYS H parsed_5ykk 1 14 1 2 . . . . . . . . . 4 LYS QD parsed_5ykk 1 15 1 1 . . . . . . . . . 5 LEU H parsed_5ykk 1 15 1 2 . . . . . . . . . 5 LEU HB2 parsed_5ykk 1 16 1 1 . . . . . . . . . 5 LEU H parsed_5ykk 1 16 1 2 . . . . . . . . . 5 LEU HB3 parsed_5ykk 1 17 1 1 . . . . . . . . . 5 LEU H parsed_5ykk 1 17 1 2 . . . . . . . . . 5 LEU HG parsed_5ykk 1 18 1 1 . . . . . . . . . 5 LEU H parsed_5ykk 1 18 1 2 . . . . . . . . . 5 LEU QD1 parsed_5ykk 1 19 1 1 . . . . . . . . . 6 PHE H parsed_5ykk 1 19 1 2 . . . . . . . . . 6 PHE HB2 parsed_5ykk 1 20 1 1 . . . . . . . . . 6 PHE H parsed_5ykk 1 20 1 2 . . . . . . . . . 6 PHE HB2 parsed_5ykk 1 21 1 1 . . . . . . . . . 6 PHE H parsed_5ykk 1 21 1 2 . . . . . . . . . 7 ALA H parsed_5ykk 1 22 1 1 . . . . . . . . . 6 PHE HA parsed_5ykk 1 22 1 2 . . . . . . . . . 7 ALA H parsed_5ykk 1 23 1 1 . . . . . . . . . 6 PHE HB2 parsed_5ykk 1 23 1 2 . . . . . . . . . 7 ALA H parsed_5ykk 1 24 1 1 . . . . . . . . . 6 PHE HB3 parsed_5ykk 1 24 1 2 . . . . . . . . . 7 ALA H parsed_5ykk 1 25 1 1 . . . . . . . . . 7 ALA QB parsed_5ykk 1 25 1 2 . . . . . . . . . 7 ALA H parsed_5ykk 1 26 1 1 . . . . . . . . . 6 PHE HA parsed_5ykk 1 26 1 2 . . . . . . . . . 10 THR H parsed_5ykk 1 27 1 1 . . . . . . . . . 6 PHE HD1 parsed_5ykk 1 27 1 2 . . . . . . . . . 10 THR QG2 parsed_5ykk 1 28 1 1 . . . . . . . . . 6 PHE HD2 parsed_5ykk 1 28 1 2 . . . . . . . . . 10 THR QG2 parsed_5ykk 1 29 1 1 . . . . . . . . . 6 PHE HA parsed_5ykk 1 29 1 2 . . . . . . . . . 9 ILE H parsed_5ykk 1 30 1 1 . . . . . . . . . 6 PHE HD1 parsed_5ykk 1 30 1 2 . . . . . . . . . 9 ILE HG12 parsed_5ykk 1 31 1 1 . . . . . . . . . 6 PHE HD1 parsed_5ykk 1 31 1 2 . . . . . . . . . 9 ILE HG13 parsed_5ykk 1 32 1 1 . . . . . . . . . 6 PHE HD1 parsed_5ykk 1 32 1 2 . . . . . . . . . 9 ILE HG2 parsed_5ykk 1 33 1 1 . . . . . . . . . 6 PHE HD1 parsed_5ykk 1 33 1 2 . . . . . . . . . 9 ILE HD1 parsed_5ykk 1 34 1 1 . . . . . . . . . 6 PHE HD2 parsed_5ykk 1 34 1 2 . . . . . . . . . 9 ILE HG12 parsed_5ykk 1 35 1 1 . . . . . . . . . 6 PHE HD2 parsed_5ykk 1 35 1 2 . . . . . . . . . 9 ILE HG13 parsed_5ykk 1 36 1 1 . . . . . . . . . 6 PHE HD2 parsed_5ykk 1 36 1 2 . . . . . . . . . 9 ILE HG2 parsed_5ykk 1 37 1 1 . . . . . . . . . 6 PHE HD2 parsed_5ykk 1 37 1 2 . . . . . . . . . 9 ILE HD1 parsed_5ykk 1 38 1 1 . . . . . . . . . 7 ALA H parsed_5ykk 1 38 1 2 . . . . . . . . . 8 LYS H parsed_5ykk 1 39 1 1 . . . . . . . . . 7 ALA H parsed_5ykk 1 39 1 2 . . . . . . . . . 4 LYS HB2 parsed_5ykk 1 40 1 1 . . . . . . . . . 7 ALA H parsed_5ykk 1 40 1 2 . . . . . . . . . 4 LYS HB3 parsed_5ykk 1 41 1 1 . . . . . . . . . 7 ALA HA parsed_5ykk 1 41 1 2 . . . . . . . . . 8 LYS H parsed_5ykk 1 42 1 1 . . . . . . . . . 7 ALA QB parsed_5ykk 1 42 1 2 . . . . . . . . . 8 LYS H parsed_5ykk 1 43 1 1 . . . . . . . . . 8 LYS H parsed_5ykk 1 43 1 2 . . . . . . . . . 4 LYS HA parsed_5ykk 1 44 1 1 . . . . . . . . . 8 LYS H parsed_5ykk 1 44 1 2 . . . . . . . . . 4 LYS QD parsed_5ykk 1 45 1 1 . . . . . . . . . 8 LYS H parsed_5ykk 1 45 1 2 . . . . . . . . . 4 LYS QG parsed_5ykk 1 46 1 1 . . . . . . . . . 8 LYS H parsed_5ykk 1 46 1 2 . . . . . . . . . 8 LYS HB2 parsed_5ykk 1 47 1 1 . . . . . . . . . 8 LYS H parsed_5ykk 1 47 1 2 . . . . . . . . . 8 LYS HB3 parsed_5ykk 1 48 1 1 . . . . . . . . . 8 LYS H parsed_5ykk 1 48 1 2 . . . . . . . . . 8 LYS HG2 parsed_5ykk 1 49 1 1 . . . . . . . . . 8 LYS H parsed_5ykk 1 49 1 2 . . . . . . . . . 8 LYS HG3 parsed_5ykk 1 50 1 1 . . . . . . . . . 8 LYS H parsed_5ykk 1 50 1 2 . . . . . . . . . 8 LYS QD parsed_5ykk 1 51 1 1 . . . . . . . . . 8 LYS H parsed_5ykk 1 51 1 2 . . . . . . . . . 9 ILE H parsed_5ykk 1 52 1 1 . . . . . . . . . 8 LYS HA parsed_5ykk 1 52 1 2 . . . . . . . . . 9 ILE H parsed_5ykk 1 53 1 1 . . . . . . . . . 8 LYS HB2 parsed_5ykk 1 53 1 2 . . . . . . . . . 9 ILE H parsed_5ykk 1 54 1 1 . . . . . . . . . 8 LYS HB3 parsed_5ykk 1 54 1 2 . . . . . . . . . 9 ILE H parsed_5ykk 1 55 1 1 . . . . . . . . . 8 LYS HG2 parsed_5ykk 1 55 1 2 . . . . . . . . . 9 ILE H parsed_5ykk 1 56 1 1 . . . . . . . . . 8 LYS HG3 parsed_5ykk 1 56 1 2 . . . . . . . . . 9 ILE H parsed_5ykk 1 57 1 1 . . . . . . . . . 8 LYS QD parsed_5ykk 1 57 1 2 . . . . . . . . . 9 ILE H parsed_5ykk 1 58 1 1 . . . . . . . . . 9 ILE H parsed_5ykk 1 58 1 2 . . . . . . . . . 10 THR H parsed_5ykk 1 59 1 1 . . . . . . . . . 9 ILE HA parsed_5ykk 1 59 1 2 . . . . . . . . . 10 THR H parsed_5ykk 1 60 1 1 . . . . . . . . . 9 ILE HB parsed_5ykk 1 60 1 2 . . . . . . . . . 10 THR H parsed_5ykk 1 61 1 1 . . . . . . . . . 9 ILE HG12 parsed_5ykk 1 61 1 2 . . . . . . . . . 10 THR H parsed_5ykk 1 62 1 1 . . . . . . . . . 9 ILE HG13 parsed_5ykk 1 62 1 2 . . . . . . . . . 10 THR H parsed_5ykk 1 63 1 1 . . . . . . . . . 9 ILE HD1 parsed_5ykk 1 63 1 2 . . . . . . . . . 10 THR H parsed_5ykk 1 64 1 1 . . . . . . . . . 9 ILE HG2 parsed_5ykk 1 64 1 2 . . . . . . . . . 10 THR H parsed_5ykk 1 65 1 1 . . . . . . . . . 9 ILE H parsed_5ykk 1 65 1 2 . . . . . . . . . 9 ILE HB parsed_5ykk 1 66 1 1 . . . . . . . . . 9 ILE H parsed_5ykk 1 66 1 2 . . . . . . . . . 9 ILE HG12 parsed_5ykk 1 67 1 1 . . . . . . . . . 9 ILE H parsed_5ykk 1 67 1 2 . . . . . . . . . 9 ILE HG13 parsed_5ykk 1 68 1 1 . . . . . . . . . 9 ILE H parsed_5ykk 1 68 1 2 . . . . . . . . . 9 ILE HD1 parsed_5ykk 1 69 1 1 . . . . . . . . . 9 ILE H parsed_5ykk 1 69 1 2 . . . . . . . . . 9 ILE HG2 parsed_5ykk 1 70 1 1 . . . . . . . . . 10 THR H parsed_5ykk 1 70 1 2 . . . . . . . . . 10 THR HB parsed_5ykk 1 71 1 1 . . . . . . . . . 10 THR H parsed_5ykk 1 71 1 2 . . . . . . . . . 10 THR QG2 parsed_5ykk 1 72 1 1 . . . . . . . . . 10 THR HA parsed_5ykk 1 72 1 2 . . . . . . . . . 11 LYS H parsed_5ykk 1 73 1 1 . . . . . . . . . 10 THR HB parsed_5ykk 1 73 1 2 . . . . . . . . . 11 LYS H parsed_5ykk 1 74 1 1 . . . . . . . . . 10 THR QG2 parsed_5ykk 1 74 1 2 . . . . . . . . . 11 LYS H parsed_5ykk 1 75 1 1 . . . . . . . . . 11 LYS QB parsed_5ykk 1 75 1 2 . . . . . . . . . 11 LYS H parsed_5ykk 1 76 1 1 . . . . . . . . . 11 LYS QG parsed_5ykk 1 76 1 2 . . . . . . . . . 11 LYS H parsed_5ykk 1 77 1 1 . . . . . . . . . 11 LYS QD parsed_5ykk 1 77 1 2 . . . . . . . . . 11 LYS H parsed_5ykk 1 78 1 1 . . . . . . . . . 11 LYS HA parsed_5ykk 1 78 1 2 . . . . . . . . . 12 LYS H parsed_5ykk 1 79 1 1 . . . . . . . . . 11 LYS QB parsed_5ykk 1 79 1 2 . . . . . . . . . 12 LYS H parsed_5ykk 1 80 1 1 . . . . . . . . . 11 LYS QG parsed_5ykk 1 80 1 2 . . . . . . . . . 12 LYS H parsed_5ykk 1 81 1 1 . . . . . . . . . 11 LYS QD parsed_5ykk 1 81 1 2 . . . . . . . . . 12 LYS H parsed_5ykk 1 82 1 1 . . . . . . . . . 12 LYS QB parsed_5ykk 1 82 1 2 . . . . . . . . . 12 LYS H parsed_5ykk 1 83 1 1 . . . . . . . . . 12 LYS QG parsed_5ykk 1 83 1 2 . . . . . . . . . 12 LYS H parsed_5ykk 1 84 1 1 . . . . . . . . . 12 LYS QD parsed_5ykk 1 84 1 2 . . . . . . . . . 12 LYS H parsed_5ykk 1 85 1 1 . . . . . . . . . 11 LYS H parsed_5ykk 1 85 1 2 . . . . . . . . . 12 LYS H parsed_5ykk 1 86 1 1 . . . . . . . . . 12 LYS HA parsed_5ykk 1 86 1 2 . . . . . . . . . 13 ASN H parsed_5ykk 1 87 1 1 . . . . . . . . . 12 LYS H parsed_5ykk 1 87 1 2 . . . . . . . . . 13 ASN H parsed_5ykk 1 88 1 1 . . . . . . . . . 12 LYS HB2 parsed_5ykk 1 88 1 2 . . . . . . . . . 13 ASN H parsed_5ykk 1 89 1 1 . . . . . . . . . 12 LYS HB3 parsed_5ykk 1 89 1 2 . . . . . . . . . 13 ASN H parsed_5ykk 1 90 1 1 . . . . . . . . . 12 LYS QD parsed_5ykk 1 90 1 2 . . . . . . . . . 13 ASN H parsed_5ykk 1 91 1 1 . . . . . . . . . 12 LYS HG2 parsed_5ykk 1 91 1 2 . . . . . . . . . 13 ASN H parsed_5ykk 1 92 1 1 . . . . . . . . . 12 LYS HG3 parsed_5ykk 1 92 1 2 . . . . . . . . . 13 ASN H parsed_5ykk 1 93 1 1 . . . . . . . . . 13 ASN H parsed_5ykk 1 93 1 2 . . . . . . . . . 13 ASN HB2 parsed_5ykk 1 94 1 1 . . . . . . . . . 13 ASN H parsed_5ykk 1 94 1 2 . . . . . . . . . 13 ASN HB3 parsed_5ykk 1 95 1 1 . . . . . . . . . 13 ASN HA parsed_5ykk 1 95 1 2 . . . . . . . . . 14 MET H parsed_5ykk 1 96 1 1 . . . . . . . . . 13 ASN HB2 parsed_5ykk 1 96 1 2 . . . . . . . . . 14 MET H parsed_5ykk 1 97 1 1 . . . . . . . . . 13 ASN HB3 parsed_5ykk 1 97 1 2 . . . . . . . . . 14 MET H parsed_5ykk 1 98 1 1 . . . . . . . . . 13 ASN H parsed_5ykk 1 98 1 2 . . . . . . . . . 14 MET H parsed_5ykk 1 99 1 1 . . . . . . . . . 13 ASN H parsed_5ykk 1 99 1 2 . . . . . . . . . 14 MET H parsed_5ykk 1 100 1 1 . . . . . . . . . 14 MET H parsed_5ykk 1 100 1 2 . . . . . . . . . 14 MET HA parsed_5ykk 1 101 1 1 . . . . . . . . . 14 MET HA parsed_5ykk 1 101 1 2 . . . . . . . . . 15 ALA H parsed_5ykk 1 102 1 1 . . . . . . . . . 14 MET HB2 parsed_5ykk 1 102 1 2 . . . . . . . . . 15 ALA H parsed_5ykk 1 103 1 1 . . . . . . . . . 14 MET HB3 parsed_5ykk 1 103 1 2 . . . . . . . . . 15 ALA H parsed_5ykk 1 104 1 1 . . . . . . . . . 14 MET HG2 parsed_5ykk 1 104 1 2 . . . . . . . . . 15 ALA H parsed_5ykk 1 105 1 1 . . . . . . . . . 14 MET HG3 parsed_5ykk 1 105 1 2 . . . . . . . . . 15 ALA H parsed_5ykk 1 106 1 1 . . . . . . . . . 14 MET H parsed_5ykk 1 106 1 2 . . . . . . . . . 15 ALA H parsed_5ykk 1 107 1 1 . . . . . . . . . 14 MET HG2 parsed_5ykk 1 107 1 2 . . . . . . . . . 17 ILE HD1 parsed_5ykk 1 108 1 1 . . . . . . . . . 14 MET HG3 parsed_5ykk 1 108 1 2 . . . . . . . . . 17 ILE HG2 parsed_5ykk 1 109 1 1 . . . . . . . . . 14 MET HB2 parsed_5ykk 1 109 1 2 . . . . . . . . . 17 ILE HD1 parsed_5ykk 1 110 1 1 . . . . . . . . . 14 MET HB3 parsed_5ykk 1 110 1 2 . . . . . . . . . 17 ILE HG2 parsed_5ykk 1 111 1 1 . . . . . . . . . 14 MET HA parsed_5ykk 1 111 1 2 . . . . . . . . . 16 HIS H parsed_5ykk 1 112 1 1 . . . . . . . . . 15 ALA H parsed_5ykk 1 112 1 2 . . . . . . . . . 16 HIS H parsed_5ykk 1 113 1 1 . . . . . . . . . 15 ALA HA parsed_5ykk 1 113 1 2 . . . . . . . . . 16 HIS H parsed_5ykk 1 114 1 1 . . . . . . . . . 15 ALA QB parsed_5ykk 1 114 1 2 . . . . . . . . . 16 HIS H parsed_5ykk 1 115 1 1 . . . . . . . . . 16 HIS H parsed_5ykk 1 115 1 2 . . . . . . . . . 17 ILE H parsed_5ykk 1 116 1 1 . . . . . . . . . 16 HIS HA parsed_5ykk 1 116 1 2 . . . . . . . . . 17 ILE H parsed_5ykk 1 117 1 1 . . . . . . . . . 16 HIS HB2 parsed_5ykk 1 117 1 2 . . . . . . . . . 17 ILE H parsed_5ykk 1 118 1 1 . . . . . . . . . 16 HIS HB3 parsed_5ykk 1 118 1 2 . . . . . . . . . 17 ILE H parsed_5ykk 1 119 1 1 . . . . . . . . . 17 ILE HA parsed_5ykk 1 119 1 2 . . . . . . . . . 18 ARG H parsed_5ykk 1 120 1 1 . . . . . . . . . 17 ILE HB parsed_5ykk 1 120 1 2 . . . . . . . . . 18 ARG H parsed_5ykk 1 121 1 1 . . . . . . . . . 17 ILE HG12 parsed_5ykk 1 121 1 2 . . . . . . . . . 18 ARG H parsed_5ykk 1 122 1 1 . . . . . . . . . 17 ILE HG13 parsed_5ykk 1 122 1 2 . . . . . . . . . 18 ARG H parsed_5ykk 1 123 1 1 . . . . . . . . . 17 ILE HG2 parsed_5ykk 1 123 1 2 . . . . . . . . . 18 ARG H parsed_5ykk 1 124 1 1 . . . . . . . . . 17 ILE HD1 parsed_5ykk 1 124 1 2 . . . . . . . . . 18 ARG H parsed_5ykk 1 125 1 1 . . . . . . . . . 17 ILE H parsed_5ykk 1 125 1 2 . . . . . . . . . 18 ARG H parsed_5ykk 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 . . . . . . . 3.50 parsed_5ykk 1 2 1 . . . . . . . 3.50 parsed_5ykk 1 3 1 . . . . . . . 3.80 parsed_5ykk 1 4 1 . . . . . . . 3.50 parsed_5ykk 1 5 1 . . . . . . . 2.90 parsed_5ykk 1 6 1 . . . . . . . 3.90 parsed_5ykk 1 7 1 . . . . . . . 4.00 parsed_5ykk 1 8 1 . . . . . . . 3.50 parsed_5ykk 1 9 1 . . . . . . . 3.50 parsed_5ykk 1 10 1 . . . . . . . 4.20 parsed_5ykk 1 11 1 . . . . . . . 3.50 parsed_5ykk 1 12 1 . . . . . . . 3.50 parsed_5ykk 1 13 1 . . . . . . . 3.50 parsed_5ykk 1 14 1 . . . . . . . 3.70 parsed_5ykk 1 15 1 . . . . . . . 3.50 parsed_5ykk 1 16 1 . . . . . . . 3.50 parsed_5ykk 1 17 1 . . . . . . . 4.00 parsed_5ykk 1 18 1 . . . . . . . 4.20 parsed_5ykk 1 19 1 . . . . . . . 3.50 parsed_5ykk 1 20 1 . . . . . . . 3.50 parsed_5ykk 1 21 1 . . . . . . . 3.50 parsed_5ykk 1 22 1 . . . . . . . 3.20 parsed_5ykk 1 23 1 . . . . . . . 3.80 parsed_5ykk 1 24 1 . . . . . . . 3.50 parsed_5ykk 1 25 1 . . . . . . . 3.50 parsed_5ykk 1 26 1 . . . . . . . 4.00 parsed_5ykk 1 27 1 . . . . . . . 4.00 parsed_5ykk 1 28 1 . . . . . . . 4.50 parsed_5ykk 1 29 1 . . . . . . . 4.00 parsed_5ykk 1 30 1 . . . . . . . 4.50 parsed_5ykk 1 31 1 . . . . . . . 4.50 parsed_5ykk 1 32 1 . . . . . . . 5.20 parsed_5ykk 1 33 1 . . . . . . . 4.20 parsed_5ykk 1 34 1 . . . . . . . 4.00 parsed_5ykk 1 35 1 . . . . . . . 4.00 parsed_5ykk 1 36 1 . . . . . . . 4.00 parsed_5ykk 1 37 1 . . . . . . . 4.20 parsed_5ykk 1 38 1 . . . . . . . 2.80 parsed_5ykk 1 39 1 . . . . . . . 3.80 parsed_5ykk 1 40 1 . . . . . . . 3.80 parsed_5ykk 1 41 1 . . . . . . . 3.40 parsed_5ykk 1 42 1 . . . . . . . 3.50 parsed_5ykk 1 43 1 . . . . . . . 3.80 parsed_5ykk 1 44 1 . . . . . . . 4.20 parsed_5ykk 1 45 1 . . . . . . . 4.50 parsed_5ykk 1 46 1 . . . . . . . 3.50 parsed_5ykk 1 47 1 . . . . . . . 3.50 parsed_5ykk 1 48 1 . . . . . . . 3.50 parsed_5ykk 1 49 1 . . . . . . . 3.50 parsed_5ykk 1 50 1 . . . . . . . 4.00 parsed_5ykk 1 51 1 . . . . . . . 2.80 parsed_5ykk 1 52 1 . . . . . . . 3.40 parsed_5ykk 1 53 1 . . . . . . . 3.80 parsed_5ykk 1 54 1 . . . . . . . 4.00 parsed_5ykk 1 55 1 . . . . . . . 3.50 parsed_5ykk 1 56 1 . . . . . . . 3.50 parsed_5ykk 1 57 1 . . . . . . . 3.80 parsed_5ykk 1 58 1 . . . . . . . 3.00 parsed_5ykk 1 59 1 . . . . . . . 3.50 parsed_5ykk 1 60 1 . . . . . . . 4.00 parsed_5ykk 1 61 1 . . . . . . . 4.00 parsed_5ykk 1 62 1 . . . . . . . 4.00 parsed_5ykk 1 63 1 . . . . . . . 4.50 parsed_5ykk 1 64 1 . . . . . . . 4.50 parsed_5ykk 1 65 1 . . . . . . . 3.50 parsed_5ykk 1 66 1 . . . . . . . 4.00 parsed_5ykk 1 67 1 . . . . . . . 4.00 parsed_5ykk 1 68 1 . . . . . . . 4.00 parsed_5ykk 1 69 1 . . . . . . . 4.50 parsed_5ykk 1 70 1 . . . . . . . 3.50 parsed_5ykk 1 71 1 . . . . . . . 3.80 parsed_5ykk 1 72 1 . . . . . . . 2.80 parsed_5ykk 1 73 1 . . . . . . . 3.50 parsed_5ykk 1 74 1 . . . . . . . 3.80 parsed_5ykk 1 75 1 . . . . . . . 3.50 parsed_5ykk 1 76 1 . . . . . . . 3.80 parsed_5ykk 1 77 1 . . . . . . . 4.00 parsed_5ykk 1 78 1 . . . . . . . 3.00 parsed_5ykk 1 79 1 . . . . . . . 3.80 parsed_5ykk 1 80 1 . . . . . . . 3.80 parsed_5ykk 1 81 1 . . . . . . . 4.00 parsed_5ykk 1 82 1 . . . . . . . 3.50 parsed_5ykk 1 83 1 . . . . . . . 3.80 parsed_5ykk 1 84 1 . . . . . . . 4.00 parsed_5ykk 1 85 1 . . . . . . . 2.80 parsed_5ykk 1 86 1 . . . . . . . 3.50 parsed_5ykk 1 87 1 . . . . . . . 2.80 parsed_5ykk 1 88 1 . . . . . . . 3.50 parsed_5ykk 1 89 1 . . . . . . . 3.50 parsed_5ykk 1 90 1 . . . . . . . 4.00 parsed_5ykk 1 91 1 . . . . . . . 4.00 parsed_5ykk 1 92 1 . . . . . . . 4.00 parsed_5ykk 1 93 1 . . . . . . . 3.50 parsed_5ykk 1 94 1 . . . . . . . 3.50 parsed_5ykk 1 95 1 . . . . . . . 3.40 parsed_5ykk 1 96 1 . . . . . . . 3.50 parsed_5ykk 1 97 1 . . . . . . . 3.50 parsed_5ykk 1 98 1 . . . . . . . 2.80 parsed_5ykk 1 99 1 . . . . . . . 2.80 parsed_5ykk 1 100 1 . . . . . . . 3.50 parsed_5ykk 1 101 1 . . . . . . . 3.50 parsed_5ykk 1 102 1 . . . . . . . 3.50 parsed_5ykk 1 103 1 . . . . . . . 3.50 parsed_5ykk 1 104 1 . . . . . . . 4.00 parsed_5ykk 1 105 1 . . . . . . . 4.00 parsed_5ykk 1 106 1 . . . . . . . 2.80 parsed_5ykk 1 107 1 . . . . . . . 4.00 parsed_5ykk 1 108 1 . . . . . . . 4.00 parsed_5ykk 1 109 1 . . . . . . . 4.50 parsed_5ykk 1 110 1 . . . . . . . 4.50 parsed_5ykk 1 111 1 . . . . . . . 4.20 parsed_5ykk 1 112 1 . . . . . . . 2.80 parsed_5ykk 1 113 1 . . . . . . . 3.45 parsed_5ykk 1 114 1 . . . . . . . 3.50 parsed_5ykk 1 115 1 . . . . . . . 2.80 parsed_5ykk 1 116 1 . . . . . . . 3.30 parsed_5ykk 1 117 1 . . . . . . . 3.50 parsed_5ykk 1 118 1 . . . . . . . 3.50 parsed_5ykk 1 119 1 . . . . . . . 3.50 parsed_5ykk 1 120 1 . . . . . . . 3.70 parsed_5ykk 1 121 1 . . . . . . . 3.50 parsed_5ykk 1 122 1 . . . . . . . 3.50 parsed_5ykk 1 123 1 . . . . . . . 3.70 parsed_5ykk 1 124 1 . . . . . . . 4.00 parsed_5ykk 1 125 1 . . . . . . . 2.80 parsed_5ykk 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 "Restraints file 1: AY1.upl" 1 1 1 28 parsed_5ykk 1 stop_ save_ save_DYANA/DIANA_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_5ykk _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 4 LYS . . . . . . . . . . . . . parsed_5ykk 1 2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 4 LYS . . . . . . . . . . . . . parsed_5ykk 1 3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 5 LEU . . . . . . . . . . . . . parsed_5ykk 1 4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 5 LEU . . . . . . . . . . . . . parsed_5ykk 1 5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 6 PHE . . . . . . . . . . . . . parsed_5ykk 1 6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 6 PHE . . . . . . . . . . . . . parsed_5ykk 1 7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 7 ALA . . . . . . . . . . . . . parsed_5ykk 1 8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 7 ALA . . . . . . . . . . . . . parsed_5ykk 1 9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 8 LYS . . . . . . . . . . . . . parsed_5ykk 1 10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 8 LYS . . . . . . . . . . . . . parsed_5ykk 1 11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 9 ILE . . . . . . . . . . . . . parsed_5ykk 1 12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 9 ILE . . . . . . . . . . . . . parsed_5ykk 1 13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 10 THR . . . . . . . . . . . . . parsed_5ykk 1 14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 10 THR . . . . . . . . . . . . . parsed_5ykk 1 15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 11 LYS . . . . . . . . . . . . . parsed_5ykk 1 16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 11 LYS . . . . . . . . . . . . . parsed_5ykk 1 17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 12 LYS . . . . . . . . . . . . . parsed_5ykk 1 18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 12 LYS . . . . . . . . . . . . . parsed_5ykk 1 19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 13 ASN . . . . . . . . . . . . . parsed_5ykk 1 20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 13 ASN . . . . . . . . . . . . . parsed_5ykk 1 21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 14 MET . . . . . . . . . . . . . parsed_5ykk 1 22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 14 MET . . . . . . . . . . . . . parsed_5ykk 1 23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 15 ALA . . . . . . . . . . . . . parsed_5ykk 1 24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 15 ALA . . . . . . . . . . . . . parsed_5ykk 1 25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 16 HIS . . . . . . . . . . . . . parsed_5ykk 1 26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 16 HIS . . . . . . . . . . . . . parsed_5ykk 1 27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 17 ILE . . . . . . . . . . . . . parsed_5ykk 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 "Restraints file 3: AY1.aco" 1 1 1 28 parsed_5ykk 1 2 "Torsion angle constraints" 2 1 2 48 parsed_5ykk 1 stop_ save_
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