NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
33397 | 1i8e | 5021 | cing | 2-parsed | STAR | entry | full | 133 |
data_1i8e_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1i8e _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_1i8e 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1i8e _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 1i8e "Master copy" parsed_1i8e stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1i8e _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 1i8e.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1i8e 1 1 1i8e.mr . . XPLOR/CNS 2 distance NOE simple 122 parsed_1i8e 1 1 1i8e.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 11 parsed_1i8e 1 1 1i8e.mr . . XPLOR/CNS 4 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1i8e 1 1 1i8e.mr . . XPLOR/CNS 5 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1i8e 1 1 1i8e.mr . . XPLOR/CNS 6 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1i8e 1 1 1i8e.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1i8e 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_1i8e _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 CELL ADHESION 13-MAR-01 1I8E *TITLE NMR ENSEMBLE OF ION-SELECTIVE LIGAND A22 FOR PLATELET *TITLE 2 INTEGRIN ALPHAIIB-BETA3 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ION-SELECTIVE LIGAND A22; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY *SOURCE 4 SYNTHESIZED:COMMERCIAL SOLID PHASE WITH CYCLIZATION WITH *SOURCE 5 SELECTIVE DISULPHIDE OXIDATION *KEYWDS INTEGRIN, RGD *EXPDTA NMR, 15 STRUCTURES *AUTHOR J.W.SMITH, H.LE CALVEZ, L.PARRA-GESSERT, N.E.PREECE, X.JIA, *AUTHOR 2 N.ASSA-MUNT *REVDAT 1 10-JUL-02 1I8E 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1i8e _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_1i8e 1 2 1 . . . parsed_1i8e 1 3 1 . . . parsed_1i8e 1 4 1 . . . parsed_1i8e 1 5 1 . . . parsed_1i8e 1 6 1 . . . parsed_1i8e 1 7 1 . . . parsed_1i8e 1 8 1 . . . parsed_1i8e 1 9 1 . . . parsed_1i8e 1 10 1 . . . parsed_1i8e 1 11 1 . . . parsed_1i8e 1 12 1 . . . parsed_1i8e 1 13 1 . . . parsed_1i8e 1 14 1 . . . parsed_1i8e 1 15 1 . . . parsed_1i8e 1 16 1 . . . parsed_1i8e 1 17 1 . . . parsed_1i8e 1 18 1 . . . parsed_1i8e 1 19 1 . . . parsed_1i8e 1 20 1 . . . parsed_1i8e 1 21 1 . . . parsed_1i8e 1 22 1 . . . parsed_1i8e 1 23 1 . . . parsed_1i8e 1 24 1 . . . parsed_1i8e 1 25 1 . . . parsed_1i8e 1 26 1 . . . parsed_1i8e 1 27 1 . . . parsed_1i8e 1 28 1 . . . parsed_1i8e 1 29 1 . . . parsed_1i8e 1 30 1 . . . parsed_1i8e 1 31 1 . . . parsed_1i8e 1 32 1 . . . parsed_1i8e 1 33 1 . . . parsed_1i8e 1 34 1 . . . parsed_1i8e 1 35 1 . . . parsed_1i8e 1 36 1 . . . parsed_1i8e 1 37 1 . . . parsed_1i8e 1 38 1 . . . parsed_1i8e 1 39 1 . . . parsed_1i8e 1 40 1 . . . parsed_1i8e 1 41 1 . . . parsed_1i8e 1 42 1 . . . parsed_1i8e 1 43 1 . . . parsed_1i8e 1 44 1 . . . parsed_1i8e 1 45 1 . . . parsed_1i8e 1 46 1 . . . parsed_1i8e 1 47 1 . . . parsed_1i8e 1 48 1 . . . parsed_1i8e 1 49 1 . . . parsed_1i8e 1 50 1 . . . parsed_1i8e 1 51 1 . . . parsed_1i8e 1 52 1 . . . parsed_1i8e 1 53 1 . . . parsed_1i8e 1 54 1 . . . parsed_1i8e 1 55 1 . . . parsed_1i8e 1 56 1 . . . parsed_1i8e 1 57 1 . . . parsed_1i8e 1 58 1 . . . parsed_1i8e 1 59 1 . . . parsed_1i8e 1 60 1 . . . parsed_1i8e 1 61 1 . . . parsed_1i8e 1 62 1 . . . parsed_1i8e 1 63 1 . . . parsed_1i8e 1 64 1 . . . parsed_1i8e 1 65 1 . . . parsed_1i8e 1 66 1 . . . parsed_1i8e 1 67 1 . . . parsed_1i8e 1 68 1 . . . parsed_1i8e 1 69 1 . . . parsed_1i8e 1 70 1 . . . parsed_1i8e 1 71 1 . . . parsed_1i8e 1 72 1 . . . parsed_1i8e 1 73 1 . . . parsed_1i8e 1 74 1 . . . parsed_1i8e 1 75 1 . . . parsed_1i8e 1 76 1 . . . parsed_1i8e 1 77 1 . . . parsed_1i8e 1 78 1 . . . parsed_1i8e 1 79 1 . . . parsed_1i8e 1 80 1 . . . parsed_1i8e 1 81 1 . . . parsed_1i8e 1 82 1 . . . parsed_1i8e 1 83 1 . . . parsed_1i8e 1 84 1 . . . parsed_1i8e 1 85 1 . . . parsed_1i8e 1 86 1 . . . parsed_1i8e 1 87 1 . . . parsed_1i8e 1 88 1 . . . parsed_1i8e 1 89 1 . . . parsed_1i8e 1 90 1 . . . parsed_1i8e 1 91 1 . . . parsed_1i8e 1 92 1 . . . parsed_1i8e 1 93 1 . . . parsed_1i8e 1 94 1 . . . parsed_1i8e 1 95 1 . . . parsed_1i8e 1 96 1 . . . parsed_1i8e 1 97 1 . . . parsed_1i8e 1 98 1 . . . parsed_1i8e 1 99 1 . . . parsed_1i8e 1 100 1 . . . parsed_1i8e 1 101 1 . . . parsed_1i8e 1 102 1 . . . parsed_1i8e 1 103 1 . . . parsed_1i8e 1 104 1 . . . parsed_1i8e 1 105 1 . . . parsed_1i8e 1 106 1 . . . parsed_1i8e 1 107 1 . . . parsed_1i8e 1 108 1 . . . parsed_1i8e 1 109 1 . . . parsed_1i8e 1 110 1 . . . parsed_1i8e 1 111 1 . . . parsed_1i8e 1 112 1 . . . parsed_1i8e 1 113 1 . . . parsed_1i8e 1 114 1 . . . parsed_1i8e 1 115 1 . . . parsed_1i8e 1 116 1 . . . parsed_1i8e 1 117 1 . . . parsed_1i8e 1 118 1 . . . parsed_1i8e 1 119 1 . . . parsed_1i8e 1 120 1 . . . parsed_1i8e 1 121 1 . . . parsed_1i8e 1 122 1 . . . parsed_1i8e 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_1i8e 1 1 1 2 . . . . . . . . . 2 . hn parsed_1i8e 1 2 1 1 . . . . . . . . . 1 . ha* parsed_1i8e 1 2 1 2 . . . . . . . . . 3 . he* parsed_1i8e 1 3 1 1 . . . . . . . . . 1 . ha* parsed_1i8e 1 3 1 2 . . . . . . . . . 12 . ha parsed_1i8e 1 4 1 1 . . . . . . . . . 1 . ha* parsed_1i8e 1 4 1 2 . . . . . . . . . 2 . ha parsed_1i8e 1 5 1 1 . . . . . . . . . 1 . ha* parsed_1i8e 1 5 1 2 . . . . . . . . . 13 . hn* parsed_1i8e 1 6 1 1 . . . . . . . . . 1 . ha* parsed_1i8e 1 6 1 2 . . . . . . . . . 3 . hn parsed_1i8e 1 7 1 1 . . . . . . . . . 2 . ha parsed_1i8e 1 7 1 2 . . . . . . . . . 13 . hn* parsed_1i8e 1 8 1 1 . . . . . . . . . 2 . ha parsed_1i8e 1 8 1 2 . . . . . . . . . 3 . hd* parsed_1i8e 1 9 1 1 . . . . . . . . . 2 . hn parsed_1i8e 1 9 1 2 . . . . . . . . . 12 . ha parsed_1i8e 1 10 1 1 . . . . . . . . . 2 . ha parsed_1i8e 1 10 1 2 . . . . . . . . . 12 . hb* parsed_1i8e 1 11 1 1 . . . . . . . . . 2 . hn parsed_1i8e 1 11 1 2 . . . . . . . . . 3 . hn parsed_1i8e 1 12 1 1 . . . . . . . . . 3 . hn parsed_1i8e 1 12 1 2 . . . . . . . . . 12 . ha parsed_1i8e 1 13 1 1 . . . . . . . . . 3 . hn parsed_1i8e 1 13 1 2 . . . . . . . . . 2 . ha parsed_1i8e 1 14 1 1 . . . . . . . . . 3 . hn parsed_1i8e 1 14 1 2 . . . . . . . . . 2 . hb* parsed_1i8e 1 15 1 1 . . . . . . . . . 3 . hn parsed_1i8e 1 15 1 2 . . . . . . . . . 4 . hn parsed_1i8e 1 16 1 1 . . . . . . . . . 3 . hn parsed_1i8e 1 16 1 2 . . . . . . . . . 13 . hn* parsed_1i8e 1 17 1 1 . . . . . . . . . 4 . ha parsed_1i8e 1 17 1 2 . . . . . . . . . 3 . hd* parsed_1i8e 1 18 1 1 . . . . . . . . . 4 . hb* parsed_1i8e 1 18 1 2 . . . . . . . . . 5 . ha parsed_1i8e 1 19 1 1 . . . . . . . . . 4 . hn parsed_1i8e 1 19 1 2 . . . . . . . . . 3 . ha parsed_1i8e 1 20 1 1 . . . . . . . . . 4 . hn parsed_1i8e 1 20 1 2 . . . . . . . . . 3 . hb* parsed_1i8e 1 21 1 1 . . . . . . . . . 5 . ha parsed_1i8e 1 21 1 2 . . . . . . . . . 6 . hb* parsed_1i8e 1 22 1 1 . . . . . . . . . 5 . ha parsed_1i8e 1 22 1 2 . . . . . . . . . 6 . hd** parsed_1i8e 1 23 1 1 . . . . . . . . . 5 . ha parsed_1i8e 1 23 1 2 . . . . . . . . . 7 . hn parsed_1i8e 1 24 1 1 . . . . . . . . . 5 . hb* parsed_1i8e 1 24 1 2 . . . . . . . . . 4 . ha parsed_1i8e 1 25 1 1 . . . . . . . . . 5 . ha parsed_1i8e 1 25 1 2 . . . . . . . . . 3 . he* parsed_1i8e 1 26 1 1 . . . . . . . . . 5 . hn parsed_1i8e 1 26 1 2 . . . . . . . . . 4 . ha parsed_1i8e 1 27 1 1 . . . . . . . . . 5 . hn parsed_1i8e 1 27 1 2 . . . . . . . . . 7 . hn parsed_1i8e 1 28 1 1 . . . . . . . . . 5 . ha parsed_1i8e 1 28 1 2 . . . . . . . . . 6 . hg parsed_1i8e 1 29 1 1 . . . . . . . . . 5 . hn parsed_1i8e 1 29 1 2 . . . . . . . . . 8 . hn parsed_1i8e 1 30 1 1 . . . . . . . . . 6 . ha parsed_1i8e 1 30 1 2 . . . . . . . . . 8 . hn parsed_1i8e 1 31 1 1 . . . . . . . . . 6 . hn parsed_1i8e 1 31 1 2 . . . . . . . . . 7 . hb* parsed_1i8e 1 32 1 1 . . . . . . . . . 6 . hn parsed_1i8e 1 32 1 2 . . . . . . . . . 5 . ha parsed_1i8e 1 33 1 1 . . . . . . . . . 6 . hn parsed_1i8e 1 33 1 2 . . . . . . . . . 5 . hb* parsed_1i8e 1 34 1 1 . . . . . . . . . 6 . hd** parsed_1i8e 1 34 1 2 . . . . . . . . . 7 . ha parsed_1i8e 1 35 1 1 . . . . . . . . . 6 . hn parsed_1i8e 1 35 1 2 . . . . . . . . . 7 . hn parsed_1i8e 1 36 1 1 . . . . . . . . . 7 . hn parsed_1i8e 1 36 1 2 . . . . . . . . . 5 . hb* parsed_1i8e 1 37 1 1 . . . . . . . . . 7 . hn parsed_1i8e 1 37 1 2 . . . . . . . . . 6 . ha parsed_1i8e 1 38 1 1 . . . . . . . . . 7 . hn parsed_1i8e 1 38 1 2 . . . . . . . . . 6 . hb* parsed_1i8e 1 39 1 1 . . . . . . . . . 7 . ha parsed_1i8e 1 39 1 2 . . . . . . . . . 9 . hn parsed_1i8e 1 40 1 1 . . . . . . . . . 7 . hb* parsed_1i8e 1 40 1 2 . . . . . . . . . 8 . hn parsed_1i8e 1 41 1 1 . . . . . . . . . 7 . hg* parsed_1i8e 1 41 1 2 . . . . . . . . . 8 . hn parsed_1i8e 1 42 1 1 . . . . . . . . . 7 . hn parsed_1i8e 1 42 1 2 . . . . . . . . . 6 . hd* parsed_1i8e 1 43 1 1 . . . . . . . . . 7 . hn parsed_1i8e 1 43 1 2 . . . . . . . . . 8 . hn parsed_1i8e 1 44 1 1 . . . . . . . . . 8 . hn parsed_1i8e 1 44 1 2 . . . . . . . . . 7 . ha parsed_1i8e 1 45 1 1 . . . . . . . . . 8 . hn parsed_1i8e 1 45 1 2 . . . . . . . . . 9 . hn parsed_1i8e 1 46 1 1 . . . . . . . . . 9 . hn parsed_1i8e 1 46 1 2 . . . . . . . . . 8 . ha* parsed_1i8e 1 47 1 1 . . . . . . . . . 9 . hb* parsed_1i8e 1 47 1 2 . . . . . . . . . 10 . hn parsed_1i8e 1 48 1 1 . . . . . . . . . 9 . hn parsed_1i8e 1 48 1 2 . . . . . . . . . 10 . hn parsed_1i8e 1 49 1 1 . . . . . . . . . 9 . hn parsed_1i8e 1 49 1 2 . . . . . . . . . 5 . hb* parsed_1i8e 1 50 1 1 . . . . . . . . . 9 . hn parsed_1i8e 1 50 1 2 . . . . . . . . . 5 . ha parsed_1i8e 1 51 1 1 . . . . . . . . . 9 . hb* parsed_1i8e 1 51 1 2 . . . . . . . . . 11 . he* parsed_1i8e 1 52 1 1 . . . . . . . . . 10 . hb* parsed_1i8e 1 52 1 2 . . . . . . . . . 11 . hn parsed_1i8e 1 53 1 1 . . . . . . . . . 10 . hn parsed_1i8e 1 53 1 2 . . . . . . . . . 9 . ha parsed_1i8e 1 54 1 1 . . . . . . . . . 10 . ha parsed_1i8e 1 54 1 2 . . . . . . . . . 11 . hd* parsed_1i8e 1 55 1 1 . . . . . . . . . 10 . ha parsed_1i8e 1 55 1 2 . . . . . . . . . 11 . he* parsed_1i8e 1 56 1 1 . . . . . . . . . 10 . hn parsed_1i8e 1 56 1 2 . . . . . . . . . 11 . hn parsed_1i8e 1 57 1 1 . . . . . . . . . 11 . hn parsed_1i8e 1 57 1 2 . . . . . . . . . 10 . ha parsed_1i8e 1 58 1 1 . . . . . . . . . 11 . ha parsed_1i8e 1 58 1 2 . . . . . . . . . 12 . hb* parsed_1i8e 1 59 1 1 . . . . . . . . . 11 . hn parsed_1i8e 1 59 1 2 . . . . . . . . . 9 . ha parsed_1i8e 1 60 1 1 . . . . . . . . . 11 . ha parsed_1i8e 1 60 1 2 . . . . . . . . . 13 . hn* parsed_1i8e 1 61 1 1 . . . . . . . . . 11 . hn parsed_1i8e 1 61 1 2 . . . . . . . . . 9 . hb* parsed_1i8e 1 62 1 1 . . . . . . . . . 12 . ha parsed_1i8e 1 62 1 2 . . . . . . . . . 2 . hb* parsed_1i8e 1 63 1 1 . . . . . . . . . 12 . ha parsed_1i8e 1 63 1 2 . . . . . . . . . 11 . hd* parsed_1i8e 1 64 1 1 . . . . . . . . . 12 . hn parsed_1i8e 1 64 1 2 . . . . . . . . . 11 . ha parsed_1i8e 1 65 1 1 . . . . . . . . . 12 . hn parsed_1i8e 1 65 1 2 . . . . . . . . . 11 . hb* parsed_1i8e 1 66 1 1 . . . . . . . . . 12 . hn parsed_1i8e 1 66 1 2 . . . . . . . . . 11 . hn parsed_1i8e 1 67 1 1 . . . . . . . . . 12 . hn parsed_1i8e 1 67 1 2 . . . . . . . . . 13 . hn* parsed_1i8e 1 68 1 1 . . . . . . . . . 12 . hb* parsed_1i8e 1 68 1 2 . . . . . . . . . 13 . hn* parsed_1i8e 1 69 1 1 . . . . . . . . . 2 . ha parsed_1i8e 1 69 1 2 . . . . . . . . . 2 . hb* parsed_1i8e 1 70 1 1 . . . . . . . . . 2 . hn parsed_1i8e 1 70 1 2 . . . . . . . . . 2 . ha parsed_1i8e 1 71 1 1 . . . . . . . . . 2 . hn parsed_1i8e 1 71 1 2 . . . . . . . . . 2 . hb* parsed_1i8e 1 72 1 1 . . . . . . . . . 3 . ha parsed_1i8e 1 72 1 2 . . . . . . . . . 3 . hb* parsed_1i8e 1 73 1 1 . . . . . . . . . 3 . ha parsed_1i8e 1 73 1 2 . . . . . . . . . 3 . hd* parsed_1i8e 1 74 1 1 . . . . . . . . . 3 . hd* parsed_1i8e 1 74 1 2 . . . . . . . . . 3 . hb* parsed_1i8e 1 75 1 1 . . . . . . . . . 3 . he* parsed_1i8e 1 75 1 2 . . . . . . . . . 3 . ha parsed_1i8e 1 76 1 1 . . . . . . . . . 3 . he* parsed_1i8e 1 76 1 2 . . . . . . . . . 3 . hb* parsed_1i8e 1 77 1 1 . . . . . . . . . 3 . hn parsed_1i8e 1 77 1 2 . . . . . . . . . 3 . ha parsed_1i8e 1 78 1 1 . . . . . . . . . 3 . hn parsed_1i8e 1 78 1 2 . . . . . . . . . 3 . hb* parsed_1i8e 1 79 1 1 . . . . . . . . . 3 . hn parsed_1i8e 1 79 1 2 . . . . . . . . . 3 . hd* parsed_1i8e 1 80 1 1 . . . . . . . . . 3 . ha parsed_1i8e 1 80 1 2 . . . . . . . . . 3 . he* parsed_1i8e 1 81 1 1 . . . . . . . . . 4 . ha parsed_1i8e 1 81 1 2 . . . . . . . . . 4 . hb* parsed_1i8e 1 82 1 1 . . . . . . . . . 4 . hn parsed_1i8e 1 82 1 2 . . . . . . . . . 4 . ha parsed_1i8e 1 83 1 1 . . . . . . . . . 4 . hn parsed_1i8e 1 83 1 2 . . . . . . . . . 4 . hb* parsed_1i8e 1 84 1 1 . . . . . . . . . 5 . ha parsed_1i8e 1 84 1 2 . . . . . . . . . 5 . hb* parsed_1i8e 1 85 1 1 . . . . . . . . . 5 . hn parsed_1i8e 1 85 1 2 . . . . . . . . . 5 . ha parsed_1i8e 1 86 1 1 . . . . . . . . . 6 . hb* parsed_1i8e 1 86 1 2 . . . . . . . . . 6 . ha parsed_1i8e 1 87 1 1 . . . . . . . . . 6 . hg parsed_1i8e 1 87 1 2 . . . . . . . . . 6 . ha parsed_1i8e 1 88 1 1 . . . . . . . . . 6 . hn parsed_1i8e 1 88 1 2 . . . . . . . . . 6 . ha parsed_1i8e 1 89 1 1 . . . . . . . . . 6 . hn parsed_1i8e 1 89 1 2 . . . . . . . . . 6 . hb* parsed_1i8e 1 90 1 1 . . . . . . . . . 6 . hn parsed_1i8e 1 90 1 2 . . . . . . . . . 6 . hd** parsed_1i8e 1 91 1 1 . . . . . . . . . 6 . hn parsed_1i8e 1 91 1 2 . . . . . . . . . 6 . hd** parsed_1i8e 1 92 1 1 . . . . . . . . . 6 . hn parsed_1i8e 1 92 1 2 . . . . . . . . . 6 . hg parsed_1i8e 1 93 1 1 . . . . . . . . . 6 . hd** parsed_1i8e 1 93 1 2 . . . . . . . . . 6 . ha parsed_1i8e 1 94 1 1 . . . . . . . . . 6 . hd** parsed_1i8e 1 94 1 2 . . . . . . . . . 6 . ha parsed_1i8e 1 95 1 1 . . . . . . . . . 7 . ha parsed_1i8e 1 95 1 2 . . . . . . . . . 7 . hd* parsed_1i8e 1 96 1 1 . . . . . . . . . 7 . hb* parsed_1i8e 1 96 1 2 . . . . . . . . . 7 . ha parsed_1i8e 1 97 1 1 . . . . . . . . . 7 . hb* parsed_1i8e 1 97 1 2 . . . . . . . . . 7 . hn parsed_1i8e 1 98 1 1 . . . . . . . . . 7 . he parsed_1i8e 1 98 1 2 . . . . . . . . . 7 . hb* parsed_1i8e 1 99 1 1 . . . . . . . . . 7 . he parsed_1i8e 1 99 1 2 . . . . . . . . . 7 . hd* parsed_1i8e 1 100 1 1 . . . . . . . . . 7 . hg* parsed_1i8e 1 100 1 2 . . . . . . . . . 7 . ha parsed_1i8e 1 101 1 1 . . . . . . . . . 7 . hg* parsed_1i8e 1 101 1 2 . . . . . . . . . 7 . hn parsed_1i8e 1 102 1 1 . . . . . . . . . 7 . hn parsed_1i8e 1 102 1 2 . . . . . . . . . 7 . ha parsed_1i8e 1 103 1 1 . . . . . . . . . 7 . hd* parsed_1i8e 1 103 1 2 . . . . . . . . . 7 . hg* parsed_1i8e 1 104 1 1 . . . . . . . . . 7 . hd* parsed_1i8e 1 104 1 2 . . . . . . . . . 7 . hb* parsed_1i8e 1 105 1 1 . . . . . . . . . 8 . hn parsed_1i8e 1 105 1 2 . . . . . . . . . 8 . ha* parsed_1i8e 1 106 1 1 . . . . . . . . . 8 . hn parsed_1i8e 1 106 1 2 . . . . . . . . . 8 . ha* parsed_1i8e 1 107 1 1 . . . . . . . . . 9 . hb* parsed_1i8e 1 107 1 2 . . . . . . . . . 9 . ha parsed_1i8e 1 108 1 1 . . . . . . . . . 9 . hn parsed_1i8e 1 108 1 2 . . . . . . . . . 9 . ha parsed_1i8e 1 109 1 1 . . . . . . . . . 10 . ha parsed_1i8e 1 109 1 2 . . . . . . . . . 10 . hb* parsed_1i8e 1 110 1 1 . . . . . . . . . 10 . hn parsed_1i8e 1 110 1 2 . . . . . . . . . 10 . ha parsed_1i8e 1 111 1 1 . . . . . . . . . 10 . hn parsed_1i8e 1 111 1 2 . . . . . . . . . 10 . hb* parsed_1i8e 1 112 1 1 . . . . . . . . . 11 . hn parsed_1i8e 1 112 1 2 . . . . . . . . . 11 . ha parsed_1i8e 1 113 1 1 . . . . . . . . . 11 . ha parsed_1i8e 1 113 1 2 . . . . . . . . . 11 . hb* parsed_1i8e 1 114 1 1 . . . . . . . . . 11 . he* parsed_1i8e 1 114 1 2 . . . . . . . . . 11 . hb* parsed_1i8e 1 115 1 1 . . . . . . . . . 11 . hn parsed_1i8e 1 115 1 2 . . . . . . . . . 11 . hb* parsed_1i8e 1 116 1 1 . . . . . . . . . 11 . hn parsed_1i8e 1 116 1 2 . . . . . . . . . 11 . he* parsed_1i8e 1 117 1 1 . . . . . . . . . 11 . hn parsed_1i8e 1 117 1 2 . . . . . . . . . 11 . hb* parsed_1i8e 1 118 1 1 . . . . . . . . . 11 . he* parsed_1i8e 1 118 1 2 . . . . . . . . . 11 . ha parsed_1i8e 1 119 1 1 . . . . . . . . . 11 . hb* parsed_1i8e 1 119 1 2 . . . . . . . . . 11 . hd* parsed_1i8e 1 120 1 1 . . . . . . . . . 12 . ha parsed_1i8e 1 120 1 2 . . . . . . . . . 12 . hb* parsed_1i8e 1 121 1 1 . . . . . . . . . 12 . hn parsed_1i8e 1 121 1 2 . . . . . . . . . 12 . ha parsed_1i8e 1 122 1 1 . . . . . . . . . 12 . hn parsed_1i8e 1 122 1 2 . . . . . . . . . 12 . hb* parsed_1i8e 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 . . . . . 2.70 1.80 4.23 parsed_1i8e 1 2 1 . . . . . 5.00 1.80 6.53 parsed_1i8e 1 3 1 . . . . . 3.30 1.80 4.83 parsed_1i8e 1 4 1 . . . . . 3.30 1.80 4.83 parsed_1i8e 1 5 1 . . . . . 3.30 1.80 4.83 parsed_1i8e 1 6 1 . . . . . 5.00 1.80 6.53 parsed_1i8e 1 7 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 8 1 . . . . . 5.00 1.80 7.13 parsed_1i8e 1 9 1 . . . . . 5.00 1.80 5.00 parsed_1i8e 1 10 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 11 1 . . . . . 5.00 1.80 5.00 parsed_1i8e 1 12 1 . . . . . 2.70 1.80 2.70 parsed_1i8e 1 13 1 . . . . . 2.70 1.80 2.70 parsed_1i8e 1 14 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 15 1 . . . . . 5.00 1.80 5.00 parsed_1i8e 1 16 1 . . . . . 5.00 1.80 5.88 parsed_1i8e 1 17 1 . . . . . 5.00 1.80 7.13 parsed_1i8e 1 18 1 . . . . . 5.00 1.80 5.88 parsed_1i8e 1 19 1 . . . . . 2.70 1.80 2.70 parsed_1i8e 1 20 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 21 1 . . . . . 5.00 1.80 5.88 parsed_1i8e 1 22 1 . . . . . 5.00 1.80 7.31 parsed_1i8e 1 23 1 . . . . . 3.30 1.80 3.30 parsed_1i8e 1 24 1 . . . . . 5.00 1.80 5.88 parsed_1i8e 1 25 1 . . . . . 5.00 1.80 7.13 parsed_1i8e 1 26 1 . . . . . 2.70 1.80 2.70 parsed_1i8e 1 27 1 . . . . . 5.00 1.80 5.00 parsed_1i8e 1 28 1 . . . . . 5.00 1.80 5.00 parsed_1i8e 1 29 1 . . . . . 5.00 1.80 5.00 parsed_1i8e 1 30 1 . . . . . 6.00 2.80 6.00 parsed_1i8e 1 31 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 32 1 . . . . . 2.70 1.80 2.70 parsed_1i8e 1 33 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 34 1 . . . . . 5.00 1.80 7.31 parsed_1i8e 1 35 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 36 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 37 1 . . . . . 3.30 1.80 3.30 parsed_1i8e 1 38 1 . . . . . 5.00 1.80 5.88 parsed_1i8e 1 39 1 . . . . . 5.00 1.80 5.00 parsed_1i8e 1 40 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 41 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 42 1 . . . . . 5.00 1.80 7.31 parsed_1i8e 1 43 1 . . . . . 2.70 1.80 2.70 parsed_1i8e 1 44 1 . . . . . 3.30 1.80 3.30 parsed_1i8e 1 45 1 . . . . . 2.70 1.80 2.70 parsed_1i8e 1 46 1 . . . . . 5.00 1.80 5.52 parsed_1i8e 1 47 1 . . . . . 2.70 1.80 3.58 parsed_1i8e 1 48 1 . . . . . 5.00 1.80 5.00 parsed_1i8e 1 49 1 . . . . . 5.00 1.80 5.88 parsed_1i8e 1 50 1 . . . . . 5.00 1.80 5.00 parsed_1i8e 1 51 1 . . . . . 3.30 1.80 6.31 parsed_1i8e 1 52 1 . . . . . 2.70 1.80 3.58 parsed_1i8e 1 53 1 . . . . . 2.70 1.80 2.70 parsed_1i8e 1 54 1 . . . . . 3.30 1.80 5.43 parsed_1i8e 1 55 1 . . . . . 5.00 1.80 7.13 parsed_1i8e 1 56 1 . . . . . 5.00 1.80 5.00 parsed_1i8e 1 57 1 . . . . . 2.70 1.80 2.70 parsed_1i8e 1 58 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 59 1 . . . . . 5.00 1.80 5.00 parsed_1i8e 1 60 1 . . . . . 5.00 1.80 5.88 parsed_1i8e 1 61 1 . . . . . 5.00 1.80 5.88 parsed_1i8e 1 62 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 63 1 . . . . . 5.00 1.80 7.13 parsed_1i8e 1 64 1 . . . . . 2.70 1.80 2.70 parsed_1i8e 1 65 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 66 1 . . . . . 5.00 1.80 5.00 parsed_1i8e 1 67 1 . . . . . 5.00 1.80 5.88 parsed_1i8e 1 68 1 . . . . . 5.00 1.80 5.88 parsed_1i8e 1 69 1 . . . . . 3.30 1.80 3.96 parsed_1i8e 1 70 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 71 1 . . . . . 2.70 1.80 3.36 parsed_1i8e 1 72 1 . . . . . 2.70 1.80 3.36 parsed_1i8e 1 73 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 74 1 . . . . . 3.30 1.80 5.06 parsed_1i8e 1 75 1 . . . . . 5.00 1.80 5.62 parsed_1i8e 1 76 1 . . . . . 5.00 1.80 6.76 parsed_1i8e 1 77 1 . . . . . 3.30 1.80 3.30 parsed_1i8e 1 78 1 . . . . . 3.30 1.80 3.96 parsed_1i8e 1 79 1 . . . . . 5.00 1.80 6.89 parsed_1i8e 1 80 1 . . . . . 3.30 1.80 4.41 parsed_1i8e 1 81 1 . . . . . 3.30 1.80 3.96 parsed_1i8e 1 82 1 . . . . . 3.30 1.80 3.30 parsed_1i8e 1 83 1 . . . . . 3.30 1.80 3.96 parsed_1i8e 1 84 1 . . . . . 3.30 1.80 3.96 parsed_1i8e 1 85 1 . . . . . 2.70 1.80 2.70 parsed_1i8e 1 86 1 . . . . . 3.30 1.80 3.96 parsed_1i8e 1 87 1 . . . . . 3.30 1.80 3.30 parsed_1i8e 1 88 1 . . . . . 3.30 1.80 3.30 parsed_1i8e 1 89 1 . . . . . 2.70 1.80 3.36 parsed_1i8e 1 90 1 . . . . . 5.00 1.80 7.31 parsed_1i8e 1 91 1 . . . . . 5.00 1.80 7.31 parsed_1i8e 1 92 1 . . . . . 3.30 1.80 3.30 parsed_1i8e 1 93 1 . . . . . 3.30 1.80 4.98 parsed_1i8e 1 94 1 . . . . . 3.30 1.80 4.98 parsed_1i8e 1 95 1 . . . . . 5.00 1.80 5.88 parsed_1i8e 1 96 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 97 1 . . . . . 2.70 1.80 3.32 parsed_1i8e 1 98 1 . . . . . 3.30 1.80 3.92 parsed_1i8e 1 99 1 . . . . . 5.00 1.80 5.87 parsed_1i8e 1 100 1 . . . . . 3.30 1.80 3.92 parsed_1i8e 1 101 1 . . . . . 2.70 1.80 3.58 parsed_1i8e 1 102 1 . . . . . 2.70 1.80 2.70 parsed_1i8e 1 103 1 . . . . . 3.30 1.80 4.18 parsed_1i8e 1 104 1 . . . . . 3.30 1.80 5.06 parsed_1i8e 1 105 1 . . . . . 3.30 1.80 3.82 parsed_1i8e 1 106 1 . . . . . 2.70 1.80 3.22 parsed_1i8e 1 107 1 . . . . . 2.70 1.80 2.91 parsed_1i8e 1 108 1 . . . . . 2.70 1.80 2.70 parsed_1i8e 1 109 1 . . . . . 3.30 1.80 3.51 parsed_1i8e 1 110 1 . . . . . 3.30 1.80 3.30 parsed_1i8e 1 111 1 . . . . . 3.30 1.80 3.92 parsed_1i8e 1 112 1 . . . . . 2.70 1.80 2.70 parsed_1i8e 1 113 1 . . . . . 3.30 1.80 3.51 parsed_1i8e 1 114 1 . . . . . 5.00 1.79 8.21 parsed_1i8e 1 115 1 . . . . . 3.30 1.80 3.92 parsed_1i8e 1 116 1 . . . . . 3.30 1.80 4.41 parsed_1i8e 1 117 1 . . . . . 3.30 1.80 3.92 parsed_1i8e 1 118 1 . . . . . 5.00 1.80 5.62 parsed_1i8e 1 119 1 . . . . . 5.00 1.80 8.21 parsed_1i8e 1 120 1 . . . . . 3.30 1.80 3.51 parsed_1i8e 1 121 1 . . . . . 3.30 1.80 3.30 parsed_1i8e 1 122 1 . . . . . 2.70 1.80 3.32 parsed_1i8e 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 ; A22 Acetyl ; 1 1 3 9 parsed_1i8e 1 2 strong 4 68 4 75 parsed_1i8e 1 3 weak 5 69 5 75 parsed_1i8e 1 4 medium 6 69 6 76 parsed_1i8e 1 5 medium 7 68 7 75 parsed_1i8e 1 6 medium 8 70 8 77 parsed_1i8e 1 7 ; weak C1 ; 9 69 10 5 parsed_1i8e 1 8 medium 11 69 11 76 parsed_1i8e 1 9 weak 12 68 12 73 parsed_1i8e 1 10 weak 13 66 13 71 parsed_1i8e 1 11 medium 14 69 14 76 parsed_1i8e 1 12 ; weak Y2 ; 15 65 16 5 parsed_1i8e 1 13 strong 17 65 17 72 parsed_1i8e 1 14 strong 18 65 18 72 parsed_1i8e 1 15 medium 19 68 19 75 parsed_1i8e 1 16 weak 20 65 20 70 parsed_1i8e 1 17 ; weak C3 ; 21 69 22 5 parsed_1i8e 1 18 weak 23 68 23 73 parsed_1i8e 1 19 weak 24 68 24 73 parsed_1i8e 1 20 strong 25 66 25 73 parsed_1i8e 1 21 ; weak S4 ; 26 68 27 5 parsed_1i8e 1 22 weak 28 68 28 73 parsed_1i8e 1 23 weak 29 69 29 74 parsed_1i8e 1 24 medium 30 67 30 74 parsed_1i8e 1 25 weak 31 68 31 73 parsed_1i8e 1 26 weak 32 68 32 73 parsed_1i8e 1 27 strong 33 65 33 72 parsed_1i8e 1 28 weak 34 65 34 70 parsed_1i8e 1 29 weak 35 65 35 70 parsed_1i8e 1 30 ; weak L5 ; 36 65 37 4 parsed_1i8e 1 31 weak 38 65 38 70 parsed_1i8e 1 32 medium 39 68 39 75 parsed_1i8e 1 33 strong 40 66 40 73 parsed_1i8e 1 34 medium 41 68 41 75 parsed_1i8e 1 35 weak 42 69 42 74 parsed_1i8e 1 36 ; medium R6 ; 43 67 44 4 parsed_1i8e 1 37 medium 45 68 45 75 parsed_1i8e 1 38 medium 46 64 46 71 parsed_1i8e 1 39 weak 47 68 47 74 parsed_1i8e 1 40 weak 48 65 48 70 parsed_1i8e 1 41 medium 49 68 49 75 parsed_1i8e 1 42 medium 50 68 50 75 parsed_1i8e 1 43 weak 51 68 51 73 parsed_1i8e 1 44 ; strong G7 ; 52 66 53 4 parsed_1i8e 1 45 medium 54 66 54 73 parsed_1i8e 1 46 ; strong D8 ; 55 67 56 4 parsed_1i8e 1 47 weak 57 69 57 74 parsed_1i8e 1 48 strong 58 70 58 77 parsed_1i8e 1 49 weak 59 66 59 71 parsed_1i8e 1 50 weak 60 68 60 73 parsed_1i8e 1 51 weak 61 65 61 70 parsed_1i8e 1 52 ; medium C9 ; 62 70 63 4 parsed_1i8e 1 53 strong 64 70 64 77 parsed_1i8e 1 54 strong 65 67 65 74 parsed_1i8e 1 55 medium 66 70 66 77 parsed_1i8e 1 56 weak 67 70 67 75 parsed_1i8e 1 57 ; weak Y10 ; 68 66 69 5 parsed_1i8e 1 58 strong 70 67 70 74 parsed_1i8e 1 59 medium 71 70 71 77 parsed_1i8e 1 60 weak 72 65 72 70 parsed_1i8e 1 61 weak 73 71 73 76 parsed_1i8e 1 62 ; weak C11 ; 74 70 75 5 parsed_1i8e 1 63 medium 76 69 76 76 parsed_1i8e 1 64 weak 77 70 77 75 parsed_1i8e 1 65 strong 78 67 78 74 parsed_1i8e 1 66 medium 79 70 79 77 parsed_1i8e 1 67 weak 80 67 80 72 parsed_1i8e 1 68 weak 81 71 81 76 parsed_1i8e 1 69 ; weak intras C1 ; 82 72 86 4 parsed_1i8e 1 70 medium 87 68 87 75 parsed_1i8e 1 71 medium 88 67 88 74 parsed_1i8e 1 72 ; strong Y2 ; 89 68 90 4 parsed_1i8e 1 73 strong 91 68 91 75 parsed_1i8e 1 74 medium 92 68 92 75 parsed_1i8e 1 75 medium 93 69 93 76 parsed_1i8e 1 76 weak 94 68 94 73 parsed_1i8e 1 77 weak 95 70 95 75 parsed_1i8e 1 78 medium 96 64 96 71 parsed_1i8e 1 79 medium 97 69 97 76 parsed_1i8e 1 80 ; medium C3 ; 99 68 100 4 parsed_1i8e 1 81 medium 101 68 101 75 parsed_1i8e 1 82 medium 102 64 102 71 parsed_1i8e 1 83 ; medium S4 ; 103 68 104 5 parsed_1i8e 1 84 medium 105 68 105 75 parsed_1i8e 1 85 ; strong L5 ; 106 67 107 5 parsed_1i8e 1 86 medium 108 68 108 75 parsed_1i8e 1 87 medium 109 64 109 71 parsed_1i8e 1 88 medium 110 64 110 71 parsed_1i8e 1 89 strong 111 69 111 76 parsed_1i8e 1 90 weak 112 69 112 74 parsed_1i8e 1 91 weak 113 69 113 74 parsed_1i8e 1 92 medium 114 64 114 71 parsed_1i8e 1 93 medium 115 69 115 76 parsed_1i8e 1 94 ; medium R6 ; 116 69 117 4 parsed_1i8e 1 95 weak 118 69 118 74 parsed_1i8e 1 96 medium 119 68 119 75 parsed_1i8e 1 97 strong 120 69 120 76 parsed_1i8e 1 98 medium 121 68 121 75 parsed_1i8e 1 99 weak 122 69 122 74 parsed_1i8e 1 100 medium 123 68 123 75 parsed_1i8e 1 101 strong 124 70 124 77 parsed_1i8e 1 102 strong 125 65 125 72 parsed_1i8e 1 103 medium 126 69 126 76 parsed_1i8e 1 104 ; medium G7 ; 127 69 129 4 parsed_1i8e 1 105 medium 130 68 130 75 parsed_1i8e 1 106 strong 131 68 132 2 parsed_1i8e 1 107 strong 133 69 133 76 parsed_1i8e 1 108 ; strong C8 ; 134 65 135 4 parsed_1i8e 1 109 medium 136 70 136 77 parsed_1i8e 1 110 medium 137 66 137 73 parsed_1i8e 1 111 ; medium Y9 ; 138 70 139 4 parsed_1i8e 1 112 strong 140 68 140 75 parsed_1i8e 1 113 medium 141 70 141 77 parsed_1i8e 1 114 weak 142 70 142 75 parsed_1i8e 1 115 medium 143 70 143 77 parsed_1i8e 1 116 medium 145 69 145 76 parsed_1i8e 1 117 medium 146 70 146 77 parsed_1i8e 1 118 weak 147 70 147 75 parsed_1i8e 1 119 ; weak C10 ; 148 72 149 5 parsed_1i8e 1 120 medium 150 70 150 77 parsed_1i8e 1 121 medium 151 67 151 74 parsed_1i8e 1 122 strong 152 71 152 78 parsed_1i8e 1 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 weak 98 69 98 72 parsed_1i8e 1 2 "assign (resid 11 and name hn) (resid 11 and name hd* 3.30 1.50 1.89" 145 1 145 67 parsed_1i8e 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1i8e _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1i8e 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1i8e 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1i8e 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1i8e 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1i8e 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1i8e 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1i8e 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1i8e 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1i8e 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 3 . n . 3 . ca . 3 . cb . 3 . cg parsed_1i8e 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 11 . n . 11 . ca . 11 . cb . 11 . cg parsed_1i8e 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 ; A22 dihedral restraints C1 ; 1 1 3 10 parsed_1i8e 1 2 ; 9.5 1.0 Y2 ; 5 68 6 10 parsed_1i8e 1 3 ; 10.2 1.0 C3 ; 8 68 9 10 parsed_1i8e 1 4 ; 13.5 1.0 S4 ; 11 69 12 10 parsed_1i8e 1 5 ; 12.9 1.0 L5 ; 14 69 15 10 parsed_1i8e 1 6 ; 13.0 1.0 R6 ; 17 70 18 10 parsed_1i8e 1 7 ; 13.7 1.0 C9 ; 20 70 21 10 parsed_1i8e 1 8 ; 12.0 1.0 Y10 ; 23 72 24 11 parsed_1i8e 1 9 ; 10.1 1.0 C11 ; 26 72 27 11 parsed_1i8e 1 10 ; 9.6 1.0 chi-angles Y2 ; 29 73 31 4 parsed_1i8e 1 11 Y10 34 1 34 5 parsed_1i8e 1 stop_ save_
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