NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
608583 | 5kx2 | 30146 | cing | 2-parsed | STAR | entry | full | 166 |
data_5kx2_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_5kx2 _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_5kx2 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_5kx2 _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 5kx2 "Master copy" parsed_5kx2 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_5kx2 _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 5kx2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5kx2 1 1 5kx2.mr . . XPLOR/CNS 2 distance NOE simple 119 parsed_5kx2 1 1 5kx2.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 31 parsed_5kx2 1 1 5kx2.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 16 parsed_5kx2 1 1 5kx2.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5kx2 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_5kx2 _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 DE NOVO PROTEIN 19-JUL-16 5KX2 *TITLE NMR SOLUTION STRUCTURE OF DESIGNED PEPTIDE NC_CEE_D1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DESIGNED PEPTIDE NC_CEE_D1; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630 *KEYWDS SYNTHETIC DESIGNED PEPTIDE, DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR P.J.HARVEY,D.J.CRAIK *REVDAT 1 21-SEP-16 5KX2 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_5kx2 _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_5kx2 1 2 1 . . . parsed_5kx2 1 3 1 . . . parsed_5kx2 1 4 1 . . . parsed_5kx2 1 5 1 . . . parsed_5kx2 1 6 1 . . . parsed_5kx2 1 7 1 . . . parsed_5kx2 1 8 1 . . . parsed_5kx2 1 9 1 . . . parsed_5kx2 1 10 1 . . . parsed_5kx2 1 11 1 . . . parsed_5kx2 1 12 1 . . . parsed_5kx2 1 13 1 . . . parsed_5kx2 1 14 1 . . . parsed_5kx2 1 15 1 . . . parsed_5kx2 1 16 1 . . . parsed_5kx2 1 17 1 . . . parsed_5kx2 1 18 1 . . . parsed_5kx2 1 19 1 . . . parsed_5kx2 1 20 1 . . . parsed_5kx2 1 21 1 . . . parsed_5kx2 1 22 1 . . . parsed_5kx2 1 23 1 . . . parsed_5kx2 1 24 1 . . . parsed_5kx2 1 25 1 . . . parsed_5kx2 1 26 1 . . . parsed_5kx2 1 27 1 . . . parsed_5kx2 1 28 1 . . . parsed_5kx2 1 29 1 . . . parsed_5kx2 1 30 1 . . . parsed_5kx2 1 31 1 . . . parsed_5kx2 1 32 1 . . . parsed_5kx2 1 33 1 . . . parsed_5kx2 1 34 1 . . . parsed_5kx2 1 35 1 . . . parsed_5kx2 1 36 1 . . . parsed_5kx2 1 37 1 . . . parsed_5kx2 1 38 1 . . . parsed_5kx2 1 39 1 . . . parsed_5kx2 1 40 1 . . . parsed_5kx2 1 41 1 . . . parsed_5kx2 1 42 1 . . . parsed_5kx2 1 43 1 . . . parsed_5kx2 1 44 1 . . . parsed_5kx2 1 45 1 . . . parsed_5kx2 1 46 1 . . . parsed_5kx2 1 47 1 . . . parsed_5kx2 1 48 1 . . . parsed_5kx2 1 49 1 . . . parsed_5kx2 1 50 1 . . . parsed_5kx2 1 51 1 . . . parsed_5kx2 1 52 1 . . . parsed_5kx2 1 53 1 . . . parsed_5kx2 1 54 1 . . . parsed_5kx2 1 55 1 . . . parsed_5kx2 1 56 1 . . . parsed_5kx2 1 57 1 . . . parsed_5kx2 1 58 1 . . . parsed_5kx2 1 59 1 . . . parsed_5kx2 1 60 1 . . . parsed_5kx2 1 61 1 . . . parsed_5kx2 1 62 1 . . . parsed_5kx2 1 63 1 . . . parsed_5kx2 1 64 1 . . . parsed_5kx2 1 65 1 . . . parsed_5kx2 1 66 1 . . . parsed_5kx2 1 67 1 . . . parsed_5kx2 1 68 1 . . . parsed_5kx2 1 69 1 . . . parsed_5kx2 1 70 1 . . . parsed_5kx2 1 71 1 . . . parsed_5kx2 1 72 1 . . . parsed_5kx2 1 73 1 . . . parsed_5kx2 1 74 1 . . . parsed_5kx2 1 75 1 . . . parsed_5kx2 1 76 1 . . . parsed_5kx2 1 77 1 . . . parsed_5kx2 1 78 1 . . . parsed_5kx2 1 79 1 . . . parsed_5kx2 1 80 1 . . . parsed_5kx2 1 81 1 . . . parsed_5kx2 1 82 1 . . . parsed_5kx2 1 83 1 . . . parsed_5kx2 1 84 1 . . . parsed_5kx2 1 85 1 . . . parsed_5kx2 1 86 1 . . . parsed_5kx2 1 87 1 . . . parsed_5kx2 1 88 1 . . . parsed_5kx2 1 89 1 . . . parsed_5kx2 1 90 1 . . . parsed_5kx2 1 91 1 . . . parsed_5kx2 1 92 1 . . . parsed_5kx2 1 93 1 . . . parsed_5kx2 1 94 1 . . . parsed_5kx2 1 95 1 . . . parsed_5kx2 1 96 1 . . . parsed_5kx2 1 97 1 . . . parsed_5kx2 1 98 1 . . . parsed_5kx2 1 99 1 . . . parsed_5kx2 1 100 1 . . . parsed_5kx2 1 101 1 . . . parsed_5kx2 1 102 1 . . . parsed_5kx2 1 103 1 . . . parsed_5kx2 1 104 1 . . . parsed_5kx2 1 105 1 . . . parsed_5kx2 1 106 1 . . . parsed_5kx2 1 107 1 . . . parsed_5kx2 1 108 1 . . . parsed_5kx2 1 109 1 . . . parsed_5kx2 1 110 1 . . . parsed_5kx2 1 111 1 . . . parsed_5kx2 1 112 1 . . . parsed_5kx2 1 113 1 . . . parsed_5kx2 1 114 1 . . . parsed_5kx2 1 115 1 . . . parsed_5kx2 1 116 1 . . . parsed_5kx2 1 117 1 . . . parsed_5kx2 1 118 1 . . . parsed_5kx2 1 119 1 . . . parsed_5kx2 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 . HB parsed_5kx2 1 1 1 2 . . . . . . . . . 3 . HN parsed_5kx2 1 2 1 1 . . . . . . . . . 3 . HN parsed_5kx2 1 2 1 2 . . . . . . . . . 3 . HB parsed_5kx2 1 3 1 1 . . . . . . . . . 2 . HA parsed_5kx2 1 3 1 2 . . . . . . . . . 3 . HN parsed_5kx2 1 4 1 1 . . . . . . . . . 3 . HN parsed_5kx2 1 4 1 2 . . . . . . . . . 4 . HN parsed_5kx2 1 5 1 1 . . . . . . . . . 2 . HN parsed_5kx2 1 5 1 2 . . . . . . . . . 2 . HG1# parsed_5kx2 1 6 1 1 . . . . . . . . . 2 . HN parsed_5kx2 1 6 1 2 . . . . . . . . . 2 . HB parsed_5kx2 1 7 1 1 . . . . . . . . . 1 . HD2 parsed_5kx2 1 7 1 2 . . . . . . . . . 2 . HN parsed_5kx2 1 8 1 1 . . . . . . . . . 2 . HN parsed_5kx2 1 8 1 2 . . . . . . . . . 17 . HN parsed_5kx2 1 9 1 1 . . . . . . . . . 4 . HN parsed_5kx2 1 9 1 2 . . . . . . . . . 4 . HB2 parsed_5kx2 1 10 1 1 . . . . . . . . . 4 . HN parsed_5kx2 1 10 1 2 . . . . . . . . . 4 . HB1 parsed_5kx2 1 11 1 1 . . . . . . . . . 3 . HA parsed_5kx2 1 11 1 2 . . . . . . . . . 4 . HN parsed_5kx2 1 12 1 1 . . . . . . . . . 4 . HA parsed_5kx2 1 12 1 2 . . . . . . . . . 5 . HN parsed_5kx2 1 13 1 1 . . . . . . . . . 5 . HA parsed_5kx2 1 13 1 2 . . . . . . . . . 6 . HN parsed_5kx2 1 14 1 1 . . . . . . . . . 6 . HN parsed_5kx2 1 14 1 2 . . . . . . . . . 6 . HG1# parsed_5kx2 1 15 1 1 . . . . . . . . . 6 . HN parsed_5kx2 1 15 1 2 . . . . . . . . . 6 . HG2# parsed_5kx2 1 16 1 1 . . . . . . . . . 6 . HN parsed_5kx2 1 16 1 2 . . . . . . . . . 6 . HB parsed_5kx2 1 17 1 1 . . . . . . . . . 6 . HG1# parsed_5kx2 1 17 1 2 . . . . . . . . . 7 . HN parsed_5kx2 1 18 1 1 . . . . . . . . . 6 . HG2# parsed_5kx2 1 18 1 2 . . . . . . . . . 7 . HN parsed_5kx2 1 19 1 1 . . . . . . . . . 7 . HN parsed_5kx2 1 19 1 2 . . . . . . . . . 7 . HB1 parsed_5kx2 1 20 1 1 . . . . . . . . . 7 . HN parsed_5kx2 1 20 1 2 . . . . . . . . . 7 . HB2 parsed_5kx2 1 21 1 1 . . . . . . . . . 6 . HA parsed_5kx2 1 21 1 2 . . . . . . . . . 7 . HN parsed_5kx2 1 22 1 1 . . . . . . . . . 8 . HA parsed_5kx2 1 22 1 2 . . . . . . . . . 9 . HD2 parsed_5kx2 1 23 1 1 . . . . . . . . . 8 . HA parsed_5kx2 1 23 1 2 . . . . . . . . . 9 . HD1 parsed_5kx2 1 24 1 1 . . . . . . . . . 4 . HN parsed_5kx2 1 24 1 2 . . . . . . . . . 15 . HN parsed_5kx2 1 25 1 1 . . . . . . . . . 14 . HA parsed_5kx2 1 25 1 2 . . . . . . . . . 15 . HN parsed_5kx2 1 26 1 1 . . . . . . . . . 14 . HN parsed_5kx2 1 26 1 2 . . . . . . . . . 14 . HB2 parsed_5kx2 1 27 1 1 . . . . . . . . . 14 . HN parsed_5kx2 1 27 1 2 . . . . . . . . . 14 . HB1 parsed_5kx2 1 28 1 1 . . . . . . . . . 14 . HB1 parsed_5kx2 1 28 1 2 . . . . . . . . . 15 . HN parsed_5kx2 1 29 1 1 . . . . . . . . . 13 . HA parsed_5kx2 1 29 1 2 . . . . . . . . . 14 . HN parsed_5kx2 1 30 1 1 . . . . . . . . . 13 . HN parsed_5kx2 1 30 1 2 . . . . . . . . . 13 . HB2 parsed_5kx2 1 31 1 1 . . . . . . . . . 13 . HN parsed_5kx2 1 31 1 2 . . . . . . . . . 13 . HB1 parsed_5kx2 1 32 1 1 . . . . . . . . . 12 . HA parsed_5kx2 1 32 1 2 . . . . . . . . . 13 . HN parsed_5kx2 1 33 1 1 . . . . . . . . . 2 . HG2# parsed_5kx2 1 33 1 2 . . . . . . . . . 3 . HN parsed_5kx2 1 34 1 1 . . . . . . . . . 12 . HN parsed_5kx2 1 34 1 2 . . . . . . . . . 12 . HB parsed_5kx2 1 35 1 1 . . . . . . . . . 11 . HA parsed_5kx2 1 35 1 2 . . . . . . . . . 12 . HN parsed_5kx2 1 36 1 1 . . . . . . . . . 11 . HB parsed_5kx2 1 36 1 2 . . . . . . . . . 12 . HN parsed_5kx2 1 37 1 1 . . . . . . . . . 11 . HG2# parsed_5kx2 1 37 1 2 . . . . . . . . . 12 . HN parsed_5kx2 1 38 1 1 . . . . . . . . . 11 . HN parsed_5kx2 1 38 1 2 . . . . . . . . . 11 . HG2# parsed_5kx2 1 39 1 1 . . . . . . . . . 11 . HN parsed_5kx2 1 39 1 2 . . . . . . . . . 11 . HB parsed_5kx2 1 40 1 1 . . . . . . . . . 16 . HN parsed_5kx2 1 40 1 2 . . . . . . . . . 16 . HG1# parsed_5kx2 1 41 1 1 . . . . . . . . . 16 . HN parsed_5kx2 1 41 1 2 . . . . . . . . . 16 . HG2# parsed_5kx2 1 42 1 1 . . . . . . . . . 15 . HG2# parsed_5kx2 1 42 1 2 . . . . . . . . . 16 . HN parsed_5kx2 1 43 1 1 . . . . . . . . . 16 . HN parsed_5kx2 1 43 1 2 . . . . . . . . . 16 . HB parsed_5kx2 1 44 1 1 . . . . . . . . . 16 . HG1# parsed_5kx2 1 44 1 2 . . . . . . . . . 17 . HN parsed_5kx2 1 45 1 1 . . . . . . . . . 16 . HG2# parsed_5kx2 1 45 1 2 . . . . . . . . . 17 . HN parsed_5kx2 1 46 1 1 . . . . . . . . . 15 . HA parsed_5kx2 1 46 1 2 . . . . . . . . . 16 . HN parsed_5kx2 1 47 1 1 . . . . . . . . . 15 . HB parsed_5kx2 1 47 1 2 . . . . . . . . . 16 . HN parsed_5kx2 1 48 1 1 . . . . . . . . . 15 . HN parsed_5kx2 1 48 1 2 . . . . . . . . . 15 . HG2# parsed_5kx2 1 49 1 1 . . . . . . . . . 15 . HN parsed_5kx2 1 49 1 2 . . . . . . . . . 15 . HB parsed_5kx2 1 50 1 1 . . . . . . . . . 3 . HA parsed_5kx2 1 50 1 2 . . . . . . . . . 17 . HN parsed_5kx2 1 51 1 1 . . . . . . . . . 16 . HA parsed_5kx2 1 51 1 2 . . . . . . . . . 17 . HN parsed_5kx2 1 52 1 1 . . . . . . . . . 1 . HD2 parsed_5kx2 1 52 1 2 . . . . . . . . . 18 . HA parsed_5kx2 1 53 1 1 . . . . . . . . . 17 . HA parsed_5kx2 1 53 1 2 . . . . . . . . . 18 . HD2 parsed_5kx2 1 54 1 1 . . . . . . . . . 17 . HA parsed_5kx2 1 54 1 2 . . . . . . . . . 18 . HD1 parsed_5kx2 1 55 1 1 . . . . . . . . . 1 . HD1 parsed_5kx2 1 55 1 2 . . . . . . . . . 2 . HN parsed_5kx2 1 56 1 1 . . . . . . . . . 2 . HN parsed_5kx2 1 56 1 2 . . . . . . . . . 18 . HA parsed_5kx2 1 57 1 1 . . . . . . . . . 2 . HA parsed_5kx2 1 57 1 2 . . . . . . . . . 2 . HG1# parsed_5kx2 1 58 1 1 . . . . . . . . . 2 . HA parsed_5kx2 1 58 1 2 . . . . . . . . . 2 . HG2# parsed_5kx2 1 59 1 1 . . . . . . . . . 2 . HN parsed_5kx2 1 59 1 2 . . . . . . . . . 2 . HG2# parsed_5kx2 1 60 1 1 . . . . . . . . . 3 . HA parsed_5kx2 1 60 1 2 . . . . . . . . . 3 . HG2# parsed_5kx2 1 61 1 1 . . . . . . . . . 2 . HG1# parsed_5kx2 1 61 1 2 . . . . . . . . . 3 . HN parsed_5kx2 1 62 1 1 . . . . . . . . . 3 . HN parsed_5kx2 1 62 1 2 . . . . . . . . . 3 . HG2# parsed_5kx2 1 63 1 1 . . . . . . . . . 4 . HA parsed_5kx2 1 63 1 2 . . . . . . . . . 4 . HE3 parsed_5kx2 1 64 1 1 . . . . . . . . . 4 . HA parsed_5kx2 1 64 1 2 . . . . . . . . . 4 . HD1 parsed_5kx2 1 65 1 1 . . . . . . . . . 4 . HA parsed_5kx2 1 65 1 2 . . . . . . . . . 4 . HZ3 parsed_5kx2 1 66 1 1 . . . . . . . . . 4 . HB2 parsed_5kx2 1 66 1 2 . . . . . . . . . 5 . HN parsed_5kx2 1 67 1 1 . . . . . . . . . 4 . HB1 parsed_5kx2 1 67 1 2 . . . . . . . . . 5 . HN parsed_5kx2 1 68 1 1 . . . . . . . . . 8 . HG2# parsed_5kx2 1 68 1 2 . . . . . . . . . 8 . HG11 parsed_5kx2 1 69 1 1 . . . . . . . . . 8 . HN parsed_5kx2 1 69 1 2 . . . . . . . . . 8 . HG11 parsed_5kx2 1 70 1 1 . . . . . . . . . 8 . HN parsed_5kx2 1 70 1 2 . . . . . . . . . 8 . HG12 parsed_5kx2 1 71 1 1 . . . . . . . . . 8 . HN parsed_5kx2 1 71 1 2 . . . . . . . . . 8 . HB parsed_5kx2 1 72 1 1 . . . . . . . . . 11 . HA parsed_5kx2 1 72 1 2 . . . . . . . . . 11 . HG2# parsed_5kx2 1 73 1 1 . . . . . . . . . 15 . HA parsed_5kx2 1 73 1 2 . . . . . . . . . 15 . HG2# parsed_5kx2 1 74 1 1 . . . . . . . . . 12 . HA parsed_5kx2 1 74 1 2 . . . . . . . . . 12 . HG2# parsed_5kx2 1 75 1 1 . . . . . . . . . 3 . HG2# parsed_5kx2 1 75 1 2 . . . . . . . . . 15 . HN parsed_5kx2 1 76 1 1 . . . . . . . . . 16 . HA parsed_5kx2 1 76 1 2 . . . . . . . . . 16 . HG1# parsed_5kx2 1 77 1 1 . . . . . . . . . 16 . HA parsed_5kx2 1 77 1 2 . . . . . . . . . 16 . HG2# parsed_5kx2 1 78 1 1 . . . . . . . . . 3 . HA parsed_5kx2 1 78 1 2 . . . . . . . . . 16 . HG1# parsed_5kx2 1 79 1 1 . . . . . . . . . 3 . HA parsed_5kx2 1 79 1 2 . . . . . . . . . 16 . HG2# parsed_5kx2 1 80 1 1 . . . . . . . . . 2 . HB parsed_5kx2 1 80 1 2 . . . . . . . . . 17 . HN parsed_5kx2 1 81 1 1 . . . . . . . . . 16 . HB parsed_5kx2 1 81 1 2 . . . . . . . . . 17 . HN parsed_5kx2 1 82 1 1 . . . . . . . . . 4 . HN parsed_5kx2 1 82 1 2 . . . . . . . . . 4 . HE3 parsed_5kx2 1 83 1 1 . . . . . . . . . 4 . HN parsed_5kx2 1 83 1 2 . . . . . . . . . 4 . HD1 parsed_5kx2 1 84 1 1 . . . . . . . . . 3 . HG2# parsed_5kx2 1 84 1 2 . . . . . . . . . 14 . HB1 parsed_5kx2 1 85 1 1 . . . . . . . . . 1 . HD1 parsed_5kx2 1 85 1 2 . . . . . . . . . 18 . HA parsed_5kx2 1 86 1 1 . . . . . . . . . 8 . HA parsed_5kx2 1 86 1 2 . . . . . . . . . 8 . HG2# parsed_5kx2 1 87 1 1 . . . . . . . . . 12 . HA parsed_5kx2 1 87 1 2 . . . . . . . . . 12 . HG1# parsed_5kx2 1 88 1 1 . . . . . . . . . 13 . HA parsed_5kx2 1 88 1 2 . . . . . . . . . 13 . HD2 parsed_5kx2 1 89 1 1 . . . . . . . . . 13 . HA parsed_5kx2 1 89 1 2 . . . . . . . . . 13 . HD1 parsed_5kx2 1 90 1 1 . . . . . . . . . 8 . HG2# parsed_5kx2 1 90 1 2 . . . . . . . . . 8 . HG12 parsed_5kx2 1 91 1 1 . . . . . . . . . 1 . HD# parsed_5kx2 1 91 1 2 . . . . . . . . . 2 . HN parsed_5kx2 1 92 1 1 . . . . . . . . . 1 . HD# parsed_5kx2 1 92 1 2 . . . . . . . . . 2 . HG* parsed_5kx2 1 93 1 1 . . . . . . . . . 1 . HD# parsed_5kx2 1 93 1 2 . . . . . . . . . 18 . HA parsed_5kx2 1 94 1 1 . . . . . . . . . 2 . HN parsed_5kx2 1 94 1 2 . . . . . . . . . 2 . HG* parsed_5kx2 1 95 1 1 . . . . . . . . . 2 . HG* parsed_5kx2 1 95 1 2 . . . . . . . . . 3 . HN parsed_5kx2 1 96 1 1 . . . . . . . . . 3 . HA parsed_5kx2 1 96 1 2 . . . . . . . . . 16 . HG* parsed_5kx2 1 97 1 1 . . . . . . . . . 4 . HB# parsed_5kx2 1 97 1 2 . . . . . . . . . 4 . HE3 parsed_5kx2 1 98 1 1 . . . . . . . . . 4 . HB# parsed_5kx2 1 98 1 2 . . . . . . . . . 5 . HN parsed_5kx2 1 99 1 1 . . . . . . . . . 4 . HD1 parsed_5kx2 1 99 1 2 . . . . . . . . . 17 . HB# parsed_5kx2 1 100 1 1 . . . . . . . . . 5 . HN parsed_5kx2 1 100 1 2 . . . . . . . . . 5 . HB# parsed_5kx2 1 101 1 1 . . . . . . . . . 5 . HB# parsed_5kx2 1 101 1 2 . . . . . . . . . 6 . HN parsed_5kx2 1 102 1 1 . . . . . . . . . 6 . HN parsed_5kx2 1 102 1 2 . . . . . . . . . 6 . HG* parsed_5kx2 1 103 1 1 . . . . . . . . . 6 . HG* parsed_5kx2 1 103 1 2 . . . . . . . . . 7 . HN parsed_5kx2 1 104 1 1 . . . . . . . . . 7 . HN parsed_5kx2 1 104 1 2 . . . . . . . . . 7 . HB# parsed_5kx2 1 105 1 1 . . . . . . . . . 7 . HN parsed_5kx2 1 105 1 2 . . . . . . . . . 7 . HG# parsed_5kx2 1 106 1 1 . . . . . . . . . 7 . HB# parsed_5kx2 1 106 1 2 . . . . . . . . . 7 . HH1# parsed_5kx2 1 107 1 1 . . . . . . . . . 7 . HD# parsed_5kx2 1 107 1 2 . . . . . . . . . 7 . HH1# parsed_5kx2 1 108 1 1 . . . . . . . . . 8 . HN parsed_5kx2 1 108 1 2 . . . . . . . . . 8 . HG1# parsed_5kx2 1 109 1 1 . . . . . . . . . 8 . HA parsed_5kx2 1 109 1 2 . . . . . . . . . 9 . HD# parsed_5kx2 1 110 1 1 . . . . . . . . . 8 . HG2# parsed_5kx2 1 110 1 2 . . . . . . . . . 8 . HG1# parsed_5kx2 1 111 1 1 . . . . . . . . . 8 . HG2# parsed_5kx2 1 111 1 2 . . . . . . . . . 9 . HD# parsed_5kx2 1 112 1 1 . . . . . . . . . 10 . HG# parsed_5kx2 1 112 1 2 . . . . . . . . . 11 . HN parsed_5kx2 1 113 1 1 . . . . . . . . . 10 . HD# parsed_5kx2 1 113 1 2 . . . . . . . . . 11 . HN parsed_5kx2 1 114 1 1 . . . . . . . . . 12 . HN parsed_5kx2 1 114 1 2 . . . . . . . . . 12 . HG* parsed_5kx2 1 115 1 1 . . . . . . . . . 12 . HG* parsed_5kx2 1 115 1 2 . . . . . . . . . 13 . HN parsed_5kx2 1 116 1 1 . . . . . . . . . 16 . HN parsed_5kx2 1 116 1 2 . . . . . . . . . 16 . HG* parsed_5kx2 1 117 1 1 . . . . . . . . . 16 . HG* parsed_5kx2 1 117 1 2 . . . . . . . . . 17 . HN parsed_5kx2 1 118 1 1 . . . . . . . . . 17 . HN parsed_5kx2 1 118 1 2 . . . . . . . . . 17 . HB# parsed_5kx2 1 119 1 1 . . . . . . . . . 17 . HA parsed_5kx2 1 119 1 2 . . . . . . . . . 18 . HD# parsed_5kx2 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 . . . . . 3.070 1.800 4.340 parsed_5kx2 1 2 1 . . . . . 2.690 1.800 3.580 parsed_5kx2 1 3 1 . . . . . 2.365 1.800 2.930 parsed_5kx2 1 4 1 . . . . . 3.580 1.800 5.360 parsed_5kx2 1 5 1 . . . . . 3.215 1.800 4.630 parsed_5kx2 1 6 1 . . . . . 2.645 1.800 3.490 parsed_5kx2 1 7 1 . . . . . 3.280 1.800 4.760 parsed_5kx2 1 8 1 . . . . . 3.085 1.800 4.370 parsed_5kx2 1 9 1 . . . . . 2.815 1.800 3.830 parsed_5kx2 1 10 1 . . . . . 2.815 1.800 3.830 parsed_5kx2 1 11 1 . . . . . 2.360 1.800 2.920 parsed_5kx2 1 12 1 . . . . . 2.415 1.800 3.030 parsed_5kx2 1 13 1 . . . . . 2.370 1.800 2.940 parsed_5kx2 1 14 1 . . . . . 3.175 1.800 4.550 parsed_5kx2 1 15 1 . . . . . 3.175 1.800 4.550 parsed_5kx2 1 16 1 . . . . . 2.980 1.800 4.160 parsed_5kx2 1 17 1 . . . . . 3.280 1.800 4.760 parsed_5kx2 1 18 1 . . . . . 3.280 1.800 4.760 parsed_5kx2 1 19 1 . . . . . 2.845 1.800 3.890 parsed_5kx2 1 20 1 . . . . . 2.845 1.800 3.890 parsed_5kx2 1 21 1 . . . . . 2.350 1.800 2.900 parsed_5kx2 1 22 1 . . . . . 2.715 1.800 3.630 parsed_5kx2 1 23 1 . . . . . 2.715 1.800 3.630 parsed_5kx2 1 24 1 . . . . . 3.070 1.800 4.340 parsed_5kx2 1 25 1 . . . . . 2.360 1.800 2.920 parsed_5kx2 1 26 1 . . . . . 2.665 1.800 3.530 parsed_5kx2 1 27 1 . . . . . 2.935 1.800 4.070 parsed_5kx2 1 28 1 . . . . . 3.055 1.800 4.310 parsed_5kx2 1 29 1 . . . . . 2.385 1.800 2.970 parsed_5kx2 1 30 1 . . . . . 2.880 1.800 3.960 parsed_5kx2 1 31 1 . . . . . 2.880 1.800 3.960 parsed_5kx2 1 32 1 . . . . . 2.360 1.800 2.920 parsed_5kx2 1 33 1 . . . . . 3.250 1.800 4.700 parsed_5kx2 1 34 1 . . . . . 2.790 1.800 3.780 parsed_5kx2 1 35 1 . . . . . 2.390 1.800 2.980 parsed_5kx2 1 36 1 . . . . . 2.925 1.800 4.050 parsed_5kx2 1 37 1 . . . . . 2.980 1.800 4.160 parsed_5kx2 1 38 1 . . . . . 2.990 1.800 4.180 parsed_5kx2 1 39 1 . . . . . 2.775 1.800 3.750 parsed_5kx2 1 40 1 . . . . . 3.180 1.800 4.560 parsed_5kx2 1 41 1 . . . . . 3.180 1.800 4.560 parsed_5kx2 1 42 1 . . . . . 2.915 1.800 4.030 parsed_5kx2 1 43 1 . . . . . 2.780 1.800 3.760 parsed_5kx2 1 44 1 . . . . . 3.280 1.800 4.760 parsed_5kx2 1 45 1 . . . . . 3.280 1.800 4.760 parsed_5kx2 1 46 1 . . . . . 2.375 1.800 2.950 parsed_5kx2 1 47 1 . . . . . 2.985 1.800 4.170 parsed_5kx2 1 48 1 . . . . . 3.090 1.800 4.380 parsed_5kx2 1 49 1 . . . . . 2.830 1.800 3.860 parsed_5kx2 1 50 1 . . . . . 2.945 1.800 4.090 parsed_5kx2 1 51 1 . . . . . 2.355 1.800 2.910 parsed_5kx2 1 52 1 . . . . . 2.640 1.800 3.480 parsed_5kx2 1 53 1 . . . . . 2.715 1.800 3.630 parsed_5kx2 1 54 1 . . . . . 2.715 1.800 3.630 parsed_5kx2 1 55 1 . . . . . 3.280 1.800 4.760 parsed_5kx2 1 56 1 . . . . . 3.365 1.800 4.930 parsed_5kx2 1 57 1 . . . . . 2.815 1.800 3.830 parsed_5kx2 1 58 1 . . . . . 2.815 1.800 3.830 parsed_5kx2 1 59 1 . . . . . 3.215 1.800 4.630 parsed_5kx2 1 60 1 . . . . . 2.680 1.800 3.560 parsed_5kx2 1 61 1 . . . . . 3.250 1.800 4.700 parsed_5kx2 1 62 1 . . . . . 3.195 1.800 4.590 parsed_5kx2 1 63 1 . . . . . 3.185 1.800 4.570 parsed_5kx2 1 64 1 . . . . . 3.420 1.800 5.040 parsed_5kx2 1 65 1 . . . . . 3.650 1.800 5.500 parsed_5kx2 1 66 1 . . . . . 3.380 1.800 4.960 parsed_5kx2 1 67 1 . . . . . 3.380 1.800 4.960 parsed_5kx2 1 68 1 . . . . . 2.725 1.800 3.650 parsed_5kx2 1 69 1 . . . . . 3.305 1.800 4.810 parsed_5kx2 1 70 1 . . . . . 3.305 1.800 4.810 parsed_5kx2 1 71 1 . . . . . 2.775 1.800 3.750 parsed_5kx2 1 72 1 . . . . . 2.760 1.800 3.720 parsed_5kx2 1 73 1 . . . . . 2.915 1.800 4.030 parsed_5kx2 1 74 1 . . . . . 2.880 1.800 3.960 parsed_5kx2 1 75 1 . . . . . 3.205 1.800 4.610 parsed_5kx2 1 76 1 . . . . . 2.910 1.800 4.020 parsed_5kx2 1 77 1 . . . . . 2.910 1.800 4.020 parsed_5kx2 1 78 1 . . . . . 3.475 1.800 5.150 parsed_5kx2 1 79 1 . . . . . 3.475 1.800 5.150 parsed_5kx2 1 80 1 . . . . . 3.325 1.800 4.850 parsed_5kx2 1 81 1 . . . . . 3.320 1.800 4.840 parsed_5kx2 1 82 1 . . . . . 3.630 1.800 5.460 parsed_5kx2 1 83 1 . . . . . 3.480 1.800 5.160 parsed_5kx2 1 84 1 . . . . . 3.085 1.800 4.370 parsed_5kx2 1 85 1 . . . . . 2.640 1.800 3.480 parsed_5kx2 1 86 1 . . . . . 2.655 1.800 3.510 parsed_5kx2 1 87 1 . . . . . 2.880 1.800 3.960 parsed_5kx2 1 88 1 . . . . . 3.650 1.800 5.500 parsed_5kx2 1 89 1 . . . . . 3.650 1.800 5.500 parsed_5kx2 1 90 1 . . . . . 2.725 1.800 3.650 parsed_5kx2 1 91 1 . . . . . 2.855 1.800 3.910 parsed_5kx2 1 92 1 . . . . . 3.065 1.800 4.330 parsed_5kx2 1 93 1 . . . . . 2.410 1.800 3.020 parsed_5kx2 1 94 1 . . . . . 2.700 1.800 3.600 parsed_5kx2 1 95 1 . . . . . 2.725 1.800 3.650 parsed_5kx2 1 96 1 . . . . . 3.055 1.800 4.310 parsed_5kx2 1 97 1 . . . . . 2.755 1.800 3.710 parsed_5kx2 1 98 1 . . . . . 3.025 1.800 4.250 parsed_5kx2 1 99 1 . . . . . 3.105 1.800 4.410 parsed_5kx2 1 100 1 . . . . . 2.635 1.800 3.470 parsed_5kx2 1 101 1 . . . . . 2.825 1.800 3.850 parsed_5kx2 1 102 1 . . . . . 2.860 1.800 3.920 parsed_5kx2 1 103 1 . . . . . 2.940 1.800 4.080 parsed_5kx2 1 104 1 . . . . . 2.570 1.800 3.340 parsed_5kx2 1 105 1 . . . . . 3.250 1.800 4.700 parsed_5kx2 1 106 1 . . . . . 3.230 1.800 4.660 parsed_5kx2 1 107 1 . . . . . 2.655 1.800 3.510 parsed_5kx2 1 108 1 . . . . . 2.905 1.800 4.010 parsed_5kx2 1 109 1 . . . . . 2.430 1.800 3.060 parsed_5kx2 1 110 1 . . . . . 2.475 1.800 3.150 parsed_5kx2 1 111 1 . . . . . 2.865 1.800 3.930 parsed_5kx2 1 112 1 . . . . . 3.025 1.800 4.250 parsed_5kx2 1 113 1 . . . . . 2.755 1.800 3.710 parsed_5kx2 1 114 1 . . . . . 2.945 1.800 4.090 parsed_5kx2 1 115 1 . . . . . 2.805 1.800 3.810 parsed_5kx2 1 116 1 . . . . . 2.880 1.800 3.960 parsed_5kx2 1 117 1 . . . . . 2.945 1.800 4.090 parsed_5kx2 1 118 1 . . . . . 2.725 1.800 3.650 parsed_5kx2 1 119 1 . . . . . 2.430 1.800 3.060 parsed_5kx2 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 "distance restraints" 2 1 2 21 parsed_5kx2 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 "# Restraints file 1: design20pdb.restraints" 1 1 1 43 parsed_5kx2 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_5kx2 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_5kx2 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_5kx2 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -70.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_5kx2 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_5kx2 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_5kx2 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_5kx2 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5kx2 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5kx2 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5kx2 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_5kx2 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5kx2 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 160.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5kx2 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_5kx2 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 150.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_5kx2 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -60.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5kx2 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5kx2 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5kx2 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 170.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5kx2 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5kx2 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 150.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_5kx2 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5kx2 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 170.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5kx2 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_5kx2 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_5kx2 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_5kx2 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 150.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_5kx2 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_5kx2 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 180.0 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_5kx2 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 . N . 5 . CA . 5 . CB . 5 . SG parsed_5kx2 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . N . 14 . CA . 14 . CB . 14 . SG parsed_5kx2 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . N . 17 . CA . 17 . CB . 17 . CG parsed_5kx2 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 "dihedral restraints" 1 1 1 21 parsed_5kx2 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_5kx2 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _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_5kx2 2 2 1 . . . parsed_5kx2 2 3 1 . . . parsed_5kx2 2 4 1 . . . parsed_5kx2 2 5 1 . . . parsed_5kx2 2 6 1 . . . parsed_5kx2 2 7 1 . . . parsed_5kx2 2 8 1 . . . parsed_5kx2 2 9 1 . . . parsed_5kx2 2 10 1 . . . parsed_5kx2 2 11 1 . . . parsed_5kx2 2 12 1 . . . parsed_5kx2 2 13 1 . . . parsed_5kx2 2 14 1 . . . parsed_5kx2 2 15 1 . . . parsed_5kx2 2 16 1 . . . parsed_5kx2 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 . . . . . . . . . 2 . HN parsed_5kx2 2 1 1 2 . . . . . . . . . 17 . O parsed_5kx2 2 2 1 1 . . . . . . . . . 2 . N parsed_5kx2 2 2 1 2 . . . . . . . . . 17 . O parsed_5kx2 2 3 1 1 . . . . . . . . . 4 . HN parsed_5kx2 2 3 1 2 . . . . . . . . . 15 . O parsed_5kx2 2 4 1 1 . . . . . . . . . 4 . N parsed_5kx2 2 4 1 2 . . . . . . . . . 15 . O parsed_5kx2 2 5 1 1 . . . . . . . . . 6 . HN parsed_5kx2 2 5 1 2 . . . . . . . . . 13 . O parsed_5kx2 2 6 1 1 . . . . . . . . . 6 . N parsed_5kx2 2 6 1 2 . . . . . . . . . 13 . O parsed_5kx2 2 7 1 1 . . . . . . . . . 8 . HN parsed_5kx2 2 7 1 2 . . . . . . . . . 11 . O parsed_5kx2 2 8 1 1 . . . . . . . . . 8 . N parsed_5kx2 2 8 1 2 . . . . . . . . . 11 . O parsed_5kx2 2 9 1 1 . . . . . . . . . 11 . HN parsed_5kx2 2 9 1 2 . . . . . . . . . 8 . O parsed_5kx2 2 10 1 1 . . . . . . . . . 11 . N parsed_5kx2 2 10 1 2 . . . . . . . . . 8 . O parsed_5kx2 2 11 1 1 . . . . . . . . . 13 . HN parsed_5kx2 2 11 1 2 . . . . . . . . . 6 . O parsed_5kx2 2 12 1 1 . . . . . . . . . 13 . N parsed_5kx2 2 12 1 2 . . . . . . . . . 6 . O parsed_5kx2 2 13 1 1 . . . . . . . . . 15 . HN parsed_5kx2 2 13 1 2 . . . . . . . . . 4 . O parsed_5kx2 2 14 1 1 . . . . . . . . . 15 . N parsed_5kx2 2 14 1 2 . . . . . . . . . 4 . O parsed_5kx2 2 15 1 1 . . . . . . . . . 17 . HN parsed_5kx2 2 15 1 2 . . . . . . . . . 2 . O parsed_5kx2 2 16 1 1 . . . . . . . . . 17 . N parsed_5kx2 2 16 1 2 . . . . . . . . . 2 . O parsed_5kx2 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 . . . . . 0 0 2 parsed_5kx2 2 2 1 . . . . . 0 0 3 parsed_5kx2 2 3 1 . . . . . 0 0 2 parsed_5kx2 2 4 1 . . . . . 0 0 3 parsed_5kx2 2 5 1 . . . . . 0 0 2 parsed_5kx2 2 6 1 . . . . . 0 0 3 parsed_5kx2 2 7 1 . . . . . 0 0 2 parsed_5kx2 2 8 1 . . . . . 0 0 3 parsed_5kx2 2 9 1 . . . . . 0 0 2 parsed_5kx2 2 10 1 . . . . . 0 0 3 parsed_5kx2 2 11 1 . . . . . 0 0 2 parsed_5kx2 2 12 1 . . . . . 0 0 3 parsed_5kx2 2 13 1 . . . . . 0 0 2 parsed_5kx2 2 14 1 . . . . . 0 0 3 parsed_5kx2 2 15 1 . . . . . 0 0 2 parsed_5kx2 2 16 1 . . . . . 0 0 3 parsed_5kx2 2 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 "hbond restraints" 1 1 1 18 parsed_5kx2 2 stop_ save_
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