NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
538904 | 2ley | 17733 | cing | 2-parsed | STAR | entry | full | 199 |
data_2ley_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2ley _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_2ley 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2ley _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 2ley "Master copy" parsed_2ley stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2ley _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 2ley.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ley 1 1 2ley.mr . . XPLOR/CNS 2 distance NOE simple 142 parsed_2ley 1 1 2ley.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 31 parsed_2ley 1 1 2ley.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 26 parsed_2ley 1 1 2ley.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ley 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_2ley _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 26-JUN-11 2LEY *TITLE SOLUTION STRUCTURE OF (R7G)-CRP4 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ALPHA-DEFENSIN 4; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: DEFENSIN-RELATED CRYPTDIN-4; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; *SOURCE 3 ORGANISM_COMMON: MOUSE; *SOURCE 4 ORGANISM_TAXID: 10090; *SOURCE 5 GENE: DEFA4, DEFCR4; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET28A *KEYWDS ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR K.ROSENGREN, H.S.ANDERSSON, L.M.HAUGAARD-KEDSTROM, E.BENGTSSON, *AUTHOR 2 N.L.DALY, S.M.FIGUEREDO, X.QU, D.J.CRAIK, A.J.OUELLETTE *REVDAT 1 16-MAY-12 2LEY 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2ley _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_2ley 1 2 1 . . . parsed_2ley 1 3 1 . . . parsed_2ley 1 4 1 . . . parsed_2ley 1 5 1 . . . parsed_2ley 1 6 1 . . . parsed_2ley 1 7 1 . . . parsed_2ley 1 8 1 . . . parsed_2ley 1 9 1 . . . parsed_2ley 1 10 1 . . . parsed_2ley 1 11 1 . . . parsed_2ley 1 12 1 . . . parsed_2ley 1 13 1 . . . parsed_2ley 1 14 1 . . . parsed_2ley 1 15 1 . . . parsed_2ley 1 16 1 . . . parsed_2ley 1 17 1 . . . parsed_2ley 1 18 1 . . . parsed_2ley 1 19 1 . . . parsed_2ley 1 20 1 . . . parsed_2ley 1 21 1 . . . parsed_2ley 1 22 1 . . . parsed_2ley 1 23 1 . . . parsed_2ley 1 24 1 . . . parsed_2ley 1 25 1 . . . parsed_2ley 1 26 1 . . . parsed_2ley 1 27 1 . . . parsed_2ley 1 28 1 . . . parsed_2ley 1 29 1 . . . parsed_2ley 1 30 1 . . . parsed_2ley 1 31 1 . . . parsed_2ley 1 32 1 . . . parsed_2ley 1 33 1 . . . parsed_2ley 1 34 1 . . . parsed_2ley 1 35 1 . . . parsed_2ley 1 36 1 . . . parsed_2ley 1 37 1 . . . parsed_2ley 1 38 1 . . . parsed_2ley 1 39 1 . . . parsed_2ley 1 40 1 . . . parsed_2ley 1 41 1 . . . parsed_2ley 1 42 1 . . . parsed_2ley 1 43 1 . . . parsed_2ley 1 44 1 . . . parsed_2ley 1 45 1 . . . parsed_2ley 1 46 1 . . . parsed_2ley 1 47 1 . . . parsed_2ley 1 48 1 . . . parsed_2ley 1 49 1 . . . parsed_2ley 1 50 1 . . . parsed_2ley 1 51 1 . . . parsed_2ley 1 52 1 . . . parsed_2ley 1 53 1 . . . parsed_2ley 1 54 1 . . . parsed_2ley 1 55 1 . . . parsed_2ley 1 56 1 . . . parsed_2ley 1 57 1 . . . parsed_2ley 1 58 1 . . . parsed_2ley 1 59 1 . . . parsed_2ley 1 60 1 . . . parsed_2ley 1 61 1 . . . parsed_2ley 1 62 1 . . . parsed_2ley 1 63 1 . . . parsed_2ley 1 64 1 . . . parsed_2ley 1 65 1 . . . parsed_2ley 1 66 1 . . . parsed_2ley 1 67 1 . . . parsed_2ley 1 68 1 . . . parsed_2ley 1 69 1 . . . parsed_2ley 1 70 1 . . . parsed_2ley 1 71 1 . . . parsed_2ley 1 72 1 . . . parsed_2ley 1 73 1 . . . parsed_2ley 1 74 1 . . . parsed_2ley 1 75 1 . . . parsed_2ley 1 76 1 . . . parsed_2ley 1 77 1 . . . parsed_2ley 1 78 1 . . . parsed_2ley 1 79 1 . . . parsed_2ley 1 80 1 . . . parsed_2ley 1 81 1 . . . parsed_2ley 1 82 1 . . . parsed_2ley 1 83 1 . . . parsed_2ley 1 84 1 . . . parsed_2ley 1 85 1 . . . parsed_2ley 1 86 1 . . . parsed_2ley 1 87 1 . . . parsed_2ley 1 88 1 . . . parsed_2ley 1 89 1 . . . parsed_2ley 1 90 1 . . . parsed_2ley 1 91 1 . . . parsed_2ley 1 92 1 . . . parsed_2ley 1 93 1 . . . parsed_2ley 1 94 1 . . . parsed_2ley 1 95 1 . . . parsed_2ley 1 96 1 . . . parsed_2ley 1 97 1 . . . parsed_2ley 1 98 1 . . . parsed_2ley 1 99 1 . . . parsed_2ley 1 100 1 . . . parsed_2ley 1 101 1 . . . parsed_2ley 1 102 1 . . . parsed_2ley 1 103 1 . . . parsed_2ley 1 104 1 . . . parsed_2ley 1 105 1 . . . parsed_2ley 1 106 1 . . . parsed_2ley 1 107 1 . . . parsed_2ley 1 108 1 . . . parsed_2ley 1 109 1 . . . parsed_2ley 1 110 1 . . . parsed_2ley 1 111 1 . . . parsed_2ley 1 112 1 . . . parsed_2ley 1 113 1 . . . parsed_2ley 1 114 1 . . . parsed_2ley 1 115 1 . . . parsed_2ley 1 116 1 . . . parsed_2ley 1 117 1 . . . parsed_2ley 1 118 1 . . . parsed_2ley 1 119 1 . . . parsed_2ley 1 120 1 . . . parsed_2ley 1 121 1 . . . parsed_2ley 1 122 1 . . . parsed_2ley 1 123 1 . . . parsed_2ley 1 124 1 . . . parsed_2ley 1 125 1 . . . parsed_2ley 1 126 1 . . . parsed_2ley 1 127 1 . . . parsed_2ley 1 128 1 . . . parsed_2ley 1 129 1 . . . parsed_2ley 1 130 1 . . . parsed_2ley 1 131 1 . . . parsed_2ley 1 132 1 . . . parsed_2ley 1 133 1 . . . parsed_2ley 1 134 1 . . . parsed_2ley 1 135 1 . . . parsed_2ley 1 136 1 . . . parsed_2ley 1 137 1 . . . parsed_2ley 1 138 1 . . . parsed_2ley 1 139 1 . . . parsed_2ley 1 140 1 . . . parsed_2ley 1 141 1 . . . parsed_2ley 1 142 1 . . . parsed_2ley 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 . . . . . . . . . 7 . HA1 parsed_2ley 1 1 1 2 . . . . . . . . . 8 . HN parsed_2ley 1 2 1 1 . . . . . . . . . 7 . HA2 parsed_2ley 1 2 1 2 . . . . . . . . . 8 . HN parsed_2ley 1 3 1 1 . . . . . . . . . 6 . HA parsed_2ley 1 3 1 2 . . . . . . . . . 7 . HN parsed_2ley 1 4 1 1 . . . . . . . . . 6 . HB1 parsed_2ley 1 4 1 2 . . . . . . . . . 7 . HN parsed_2ley 1 5 1 1 . . . . . . . . . 5 . HA parsed_2ley 1 5 1 2 . . . . . . . . . 6 . HN parsed_2ley 1 6 1 1 . . . . . . . . . 18 . HA parsed_2ley 1 6 1 2 . . . . . . . . . 19 . HN parsed_2ley 1 7 1 1 . . . . . . . . . 20 . HA parsed_2ley 1 7 1 2 . . . . . . . . . 21 . HN parsed_2ley 1 8 1 1 . . . . . . . . . 20 . HB parsed_2ley 1 8 1 2 . . . . . . . . . 21 . HN parsed_2ley 1 9 1 1 . . . . . . . . . 21 . HB2 parsed_2ley 1 9 1 2 . . . . . . . . . 22 . HN parsed_2ley 1 10 1 1 . . . . . . . . . 25 . HA parsed_2ley 1 10 1 2 . . . . . . . . . 26 . HN parsed_2ley 1 11 1 1 . . . . . . . . . 25 . HB1 parsed_2ley 1 11 1 2 . . . . . . . . . 26 . HN parsed_2ley 1 12 1 1 . . . . . . . . . 25 . HB2 parsed_2ley 1 12 1 2 . . . . . . . . . 26 . HN parsed_2ley 1 13 1 1 . . . . . . . . . 26 . HB# parsed_2ley 1 13 1 2 . . . . . . . . . 27 . HN parsed_2ley 1 14 1 1 . . . . . . . . . 26 . HA parsed_2ley 1 14 1 2 . . . . . . . . . 27 . HN parsed_2ley 1 15 1 1 . . . . . . . . . 23 . HA parsed_2ley 1 15 1 2 . . . . . . . . . 24 . HN parsed_2ley 1 16 1 1 . . . . . . . . . 22 . HA1 parsed_2ley 1 16 1 2 . . . . . . . . . 23 . HN parsed_2ley 1 17 1 1 . . . . . . . . . 5 . HB# parsed_2ley 1 17 1 2 . . . . . . . . . 6 . HN parsed_2ley 1 18 1 1 . . . . . . . . . 10 . HA parsed_2ley 1 18 1 2 . . . . . . . . . 11 . HN parsed_2ley 1 19 1 1 . . . . . . . . . 10 . HB2 parsed_2ley 1 19 1 2 . . . . . . . . . 11 . HN parsed_2ley 1 20 1 1 . . . . . . . . . 4 . HA parsed_2ley 1 20 1 2 . . . . . . . . . 5 . HN parsed_2ley 1 21 1 1 . . . . . . . . . 4 . HB2 parsed_2ley 1 21 1 2 . . . . . . . . . 5 . HN parsed_2ley 1 22 1 1 . . . . . . . . . 4 . HB1 parsed_2ley 1 22 1 2 . . . . . . . . . 5 . HN parsed_2ley 1 23 1 1 . . . . . . . . . 3 . HB# parsed_2ley 1 23 1 2 . . . . . . . . . 4 . HN parsed_2ley 1 24 1 1 . . . . . . . . . 3 . HA parsed_2ley 1 24 1 2 . . . . . . . . . 4 . HN parsed_2ley 1 25 1 1 . . . . . . . . . 15 . HA parsed_2ley 1 25 1 2 . . . . . . . . . 16 . HN parsed_2ley 1 26 1 1 . . . . . . . . . 15 . HB1 parsed_2ley 1 26 1 2 . . . . . . . . . 16 . HN parsed_2ley 1 27 1 1 . . . . . . . . . 16 . HA parsed_2ley 1 27 1 2 . . . . . . . . . 17 . HN parsed_2ley 1 28 1 1 . . . . . . . . . 16 . HB# parsed_2ley 1 28 1 2 . . . . . . . . . 17 . HN parsed_2ley 1 29 1 1 . . . . . . . . . 28 . HB1 parsed_2ley 1 29 1 2 . . . . . . . . . 29 . HN parsed_2ley 1 30 1 1 . . . . . . . . . 28 . HA parsed_2ley 1 30 1 2 . . . . . . . . . 29 . HN parsed_2ley 1 31 1 1 . . . . . . . . . 27 . HB1 parsed_2ley 1 31 1 2 . . . . . . . . . 28 . HN parsed_2ley 1 32 1 1 . . . . . . . . . 5 . HN parsed_2ley 1 32 1 2 . . . . . . . . . 29 . HA parsed_2ley 1 33 1 1 . . . . . . . . . 5 . HN parsed_2ley 1 33 1 2 . . . . . . . . . 28 . HN parsed_2ley 1 34 1 1 . . . . . . . . . 4 . HA parsed_2ley 1 34 1 2 . . . . . . . . . 29 . HA parsed_2ley 1 35 1 1 . . . . . . . . . 6 . HA parsed_2ley 1 35 1 2 . . . . . . . . . 28 . HN parsed_2ley 1 36 1 1 . . . . . . . . . 6 . HA parsed_2ley 1 36 1 2 . . . . . . . . . 27 . HA parsed_2ley 1 37 1 1 . . . . . . . . . 7 . HN parsed_2ley 1 37 1 2 . . . . . . . . . 27 . HA parsed_2ley 1 38 1 1 . . . . . . . . . 7 . HN parsed_2ley 1 38 1 2 . . . . . . . . . 26 . HN parsed_2ley 1 39 1 1 . . . . . . . . . 16 . HN parsed_2ley 1 39 1 2 . . . . . . . . . 29 . HN parsed_2ley 1 40 1 1 . . . . . . . . . 18 . HN parsed_2ley 1 40 1 2 . . . . . . . . . 28 . HA parsed_2ley 1 41 1 1 . . . . . . . . . 23 . HN parsed_2ley 1 41 1 2 . . . . . . . . . 25 . HN parsed_2ley 1 42 1 1 . . . . . . . . . 19 . HN parsed_2ley 1 42 1 2 . . . . . . . . . 27 . HN parsed_2ley 1 43 1 1 . . . . . . . . . 20 . HA parsed_2ley 1 43 1 2 . . . . . . . . . 27 . HN parsed_2ley 1 44 1 1 . . . . . . . . . 21 . HN parsed_2ley 1 44 1 2 . . . . . . . . . 26 . HA parsed_2ley 1 45 1 1 . . . . . . . . . 24 . HA parsed_2ley 1 45 1 2 . . . . . . . . . 25 . HN parsed_2ley 1 46 1 1 . . . . . . . . . 18 . HN parsed_2ley 1 46 1 2 . . . . . . . . . 19 . HN parsed_2ley 1 47 1 1 . . . . . . . . . 30 . HB2 parsed_2ley 1 47 1 2 . . . . . . . . . 31 . HN parsed_2ley 1 48 1 1 . . . . . . . . . 23 . HB parsed_2ley 1 48 1 2 . . . . . . . . . 24 . HN parsed_2ley 1 49 1 1 . . . . . . . . . 21 . HN parsed_2ley 1 49 1 2 . . . . . . . . . 25 . HB2 parsed_2ley 1 50 1 1 . . . . . . . . . 9 . HN parsed_2ley 1 50 1 2 . . . . . . . . . 25 . HA parsed_2ley 1 51 1 1 . . . . . . . . . 13 . HA parsed_2ley 1 51 1 2 . . . . . . . . . 14 . HN parsed_2ley 1 52 1 1 . . . . . . . . . 11 . HB1 parsed_2ley 1 52 1 2 . . . . . . . . . 12 . HN parsed_2ley 1 53 1 1 . . . . . . . . . 24 . HN parsed_2ley 1 53 1 2 . . . . . . . . . 25 . HN parsed_2ley 1 54 1 1 . . . . . . . . . 31 . HN parsed_2ley 1 54 1 2 . . . . . . . . . 32 . HN parsed_2ley 1 55 1 1 . . . . . . . . . 8 . HN parsed_2ley 1 55 1 2 . . . . . . . . . 10 . HN parsed_2ley 1 56 1 1 . . . . . . . . . 21 . HN parsed_2ley 1 56 1 2 . . . . . . . . . 22 . HN parsed_2ley 1 57 1 1 . . . . . . . . . 21 . HN parsed_2ley 1 57 1 2 . . . . . . . . . 25 . HN parsed_2ley 1 58 1 1 . . . . . . . . . 7 . HN parsed_2ley 1 58 1 2 . . . . . . . . . 28 . HN parsed_2ley 1 59 1 1 . . . . . . . . . 22 . HA2 parsed_2ley 1 59 1 2 . . . . . . . . . 23 . HN parsed_2ley 1 60 1 1 . . . . . . . . . 2 . HA parsed_2ley 1 60 1 2 . . . . . . . . . 3 . HN parsed_2ley 1 61 1 1 . . . . . . . . . 11 . HB2 parsed_2ley 1 61 1 2 . . . . . . . . . 12 . HN parsed_2ley 1 62 1 1 . . . . . . . . . 11 . HA parsed_2ley 1 62 1 2 . . . . . . . . . 12 . HN parsed_2ley 1 63 1 1 . . . . . . . . . 12 . HB# parsed_2ley 1 63 1 2 . . . . . . . . . 13 . HN parsed_2ley 1 64 1 1 . . . . . . . . . 12 . HA parsed_2ley 1 64 1 2 . . . . . . . . . 13 . HN parsed_2ley 1 65 1 1 . . . . . . . . . 15 . HA parsed_2ley 1 65 1 2 . . . . . . . . . 31 . HN parsed_2ley 1 66 1 1 . . . . . . . . . 13 . HA parsed_2ley 1 66 1 2 . . . . . . . . . 15 . HN parsed_2ley 1 67 1 1 . . . . . . . . . 9 . HA1 parsed_2ley 1 67 1 2 . . . . . . . . . 10 . HN parsed_2ley 1 68 1 1 . . . . . . . . . 9 . HA2 parsed_2ley 1 68 1 2 . . . . . . . . . 10 . HN parsed_2ley 1 69 1 1 . . . . . . . . . 30 . HB1 parsed_2ley 1 69 1 2 . . . . . . . . . 31 . HN parsed_2ley 1 70 1 1 . . . . . . . . . 16 . HN parsed_2ley 1 70 1 2 . . . . . . . . . 30 . HA parsed_2ley 1 71 1 1 . . . . . . . . . 30 . HA parsed_2ley 1 71 1 2 . . . . . . . . . 31 . HN parsed_2ley 1 72 1 1 . . . . . . . . . 14 . HN parsed_2ley 1 72 1 2 . . . . . . . . . 15 . HN parsed_2ley 1 73 1 1 . . . . . . . . . 17 . HA parsed_2ley 1 73 1 2 . . . . . . . . . 18 . HN parsed_2ley 1 74 1 1 . . . . . . . . . 18 . HD# parsed_2ley 1 74 1 2 . . . . . . . . . 19 . HN parsed_2ley 1 75 1 1 . . . . . . . . . 18 . HG# parsed_2ley 1 75 1 2 . . . . . . . . . 19 . HN parsed_2ley 1 76 1 1 . . . . . . . . . 26 . HG parsed_2ley 1 76 1 2 . . . . . . . . . 27 . HN parsed_2ley 1 77 1 1 . . . . . . . . . 16 . HG# parsed_2ley 1 77 1 2 . . . . . . . . . 17 . HN parsed_2ley 1 78 1 1 . . . . . . . . . 16 . HB# parsed_2ley 1 78 1 2 . . . . . . . . . 29 . HN parsed_2ley 1 79 1 1 . . . . . . . . . 5 . HD# parsed_2ley 1 79 1 2 . . . . . . . . . 28 . HB2 parsed_2ley 1 80 1 1 . . . . . . . . . 5 . HE# parsed_2ley 1 80 1 2 . . . . . . . . . 28 . HB2 parsed_2ley 1 81 1 1 . . . . . . . . . 18 . HB# parsed_2ley 1 81 1 2 . . . . . . . . . 27 . HD# parsed_2ley 1 82 1 1 . . . . . . . . . 4 . HB2 parsed_2ley 1 82 1 2 . . . . . . . . . 27 . HE# parsed_2ley 1 83 1 1 . . . . . . . . . 4 . HB2 parsed_2ley 1 83 1 2 . . . . . . . . . 27 . HD# parsed_2ley 1 84 1 1 . . . . . . . . . 4 . HB1 parsed_2ley 1 84 1 2 . . . . . . . . . 27 . HE# parsed_2ley 1 85 1 1 . . . . . . . . . 19 . HN parsed_2ley 1 85 1 2 . . . . . . . . . 27 . HB2 parsed_2ley 1 86 1 1 . . . . . . . . . 5 . HE# parsed_2ley 1 86 1 2 . . . . . . . . . 7 . HA2 parsed_2ley 1 87 1 1 . . . . . . . . . 5 . HD# parsed_2ley 1 87 1 2 . . . . . . . . . 7 . HA2 parsed_2ley 1 88 1 1 . . . . . . . . . 5 . HE# parsed_2ley 1 88 1 2 . . . . . . . . . 7 . HA1 parsed_2ley 1 89 1 1 . . . . . . . . . 5 . HD# parsed_2ley 1 89 1 2 . . . . . . . . . 7 . HA1 parsed_2ley 1 90 1 1 . . . . . . . . . 4 . HA parsed_2ley 1 90 1 2 . . . . . . . . . 5 . HD# parsed_2ley 1 91 1 1 . . . . . . . . . 8 . HA parsed_2ley 1 91 1 2 . . . . . . . . . 25 . HD# parsed_2ley 1 92 1 1 . . . . . . . . . 5 . HD# parsed_2ley 1 92 1 2 . . . . . . . . . 6 . HN parsed_2ley 1 93 1 1 . . . . . . . . . 27 . HD# parsed_2ley 1 93 1 2 . . . . . . . . . 28 . HN parsed_2ley 1 94 1 1 . . . . . . . . . 5 . HE# parsed_2ley 1 94 1 2 . . . . . . . . . 6 . HN parsed_2ley 1 95 1 1 . . . . . . . . . 11 . HB1 parsed_2ley 1 95 1 2 . . . . . . . . . 28 . HB1 parsed_2ley 1 96 1 1 . . . . . . . . . 11 . HB1 parsed_2ley 1 96 1 2 . . . . . . . . . 15 . HB2 parsed_2ley 1 97 1 1 . . . . . . . . . 12 . HG# parsed_2ley 1 97 1 2 . . . . . . . . . 13 . HN parsed_2ley 1 98 1 1 . . . . . . . . . 12 . HD# parsed_2ley 1 98 1 2 . . . . . . . . . 13 . HN parsed_2ley 1 99 1 1 . . . . . . . . . 5 . HN parsed_2ley 1 99 1 2 . . . . . . . . . 28 . HB2 parsed_2ley 1 100 1 1 . . . . . . . . . 4 . HA parsed_2ley 1 100 1 2 . . . . . . . . . 30 . HD2 parsed_2ley 1 101 1 1 . . . . . . . . . 4 . HA parsed_2ley 1 101 1 2 . . . . . . . . . 30 . HD1 parsed_2ley 1 102 1 1 . . . . . . . . . 29 . HA parsed_2ley 1 102 1 2 . . . . . . . . . 30 . HD2 parsed_2ley 1 103 1 1 . . . . . . . . . 29 . HA parsed_2ley 1 103 1 2 . . . . . . . . . 30 . HD1 parsed_2ley 1 104 1 1 . . . . . . . . . 8 . HB# parsed_2ley 1 104 1 2 . . . . . . . . . 25 . HD# parsed_2ley 1 105 1 1 . . . . . . . . . 8 . HB# parsed_2ley 1 105 1 2 . . . . . . . . . 25 . HE# parsed_2ley 1 106 1 1 . . . . . . . . . 6 . HA parsed_2ley 1 106 1 2 . . . . . . . . . 27 . HD# parsed_2ley 1 107 1 1 . . . . . . . . . 7 . HN parsed_2ley 1 107 1 2 . . . . . . . . . 25 . HB1 parsed_2ley 1 108 1 1 . . . . . . . . . 5 . HE# parsed_2ley 1 108 1 2 . . . . . . . . . 28 . HB1 parsed_2ley 1 109 1 1 . . . . . . . . . 18 . HB# parsed_2ley 1 109 1 2 . . . . . . . . . 27 . HE# parsed_2ley 1 110 1 1 . . . . . . . . . 5 . HD# parsed_2ley 1 110 1 2 . . . . . . . . . 28 . HB1 parsed_2ley 1 111 1 1 . . . . . . . . . 11 . HB1 parsed_2ley 1 111 1 2 . . . . . . . . . 15 . HB1 parsed_2ley 1 112 1 1 . . . . . . . . . 17 . HG* parsed_2ley 1 112 1 2 . . . . . . . . . 18 . HN parsed_2ley 1 113 1 1 . . . . . . . . . 20 . HG2# parsed_2ley 1 113 1 2 . . . . . . . . . 21 . HN parsed_2ley 1 114 1 1 . . . . . . . . . 26 . HD# parsed_2ley 1 114 1 2 . . . . . . . . . 27 . HN parsed_2ley 1 115 1 1 . . . . . . . . . 23 . HG2# parsed_2ley 1 115 1 2 . . . . . . . . . 24 . HN parsed_2ley 1 116 1 1 . . . . . . . . . 11 . HN parsed_2ley 1 116 1 2 . . . . . . . . . 26 . HD# parsed_2ley 1 117 1 1 . . . . . . . . . 17 . HG* parsed_2ley 1 117 1 2 . . . . . . . . . 19 . HN parsed_2ley 1 118 1 1 . . . . . . . . . 20 . HG2# parsed_2ley 1 118 1 2 . . . . . . . . . 26 . HA parsed_2ley 1 119 1 1 . . . . . . . . . 17 . HG* parsed_2ley 1 119 1 2 . . . . . . . . . 18 . HA parsed_2ley 1 120 1 1 . . . . . . . . . 17 . HA parsed_2ley 1 120 1 2 . . . . . . . . . 26 . HD# parsed_2ley 1 121 1 1 . . . . . . . . . 17 . HG* parsed_2ley 1 121 1 2 . . . . . . . . . 27 . HN parsed_2ley 1 122 1 1 . . . . . . . . . 10 . HA parsed_2ley 1 122 1 2 . . . . . . . . . 26 . HD# parsed_2ley 1 123 1 1 . . . . . . . . . 20 . HA parsed_2ley 1 123 1 2 . . . . . . . . . 26 . HD# parsed_2ley 1 124 1 1 . . . . . . . . . 4 . HA parsed_2ley 1 124 1 2 . . . . . . . . . 30 . HD# parsed_2ley 1 125 1 1 . . . . . . . . . 5 . HD# parsed_2ley 1 125 1 2 . . . . . . . . . 7 . HA# parsed_2ley 1 126 1 1 . . . . . . . . . 5 . HE# parsed_2ley 1 126 1 2 . . . . . . . . . 7 . HA# parsed_2ley 1 127 1 1 . . . . . . . . . 7 . HA# parsed_2ley 1 127 1 2 . . . . . . . . . 8 . HN parsed_2ley 1 128 1 1 . . . . . . . . . 8 . HD# parsed_2ley 1 128 1 2 . . . . . . . . . 25 . HD# parsed_2ley 1 129 1 1 . . . . . . . . . 8 . HD# parsed_2ley 1 129 1 2 . . . . . . . . . 25 . HE# parsed_2ley 1 130 1 1 . . . . . . . . . 8 . HD# parsed_2ley 1 130 1 2 . . . . . . . . . 25 . HZ parsed_2ley 1 131 1 1 . . . . . . . . . 11 . HB1 parsed_2ley 1 131 1 2 . . . . . . . . . 15 . HG# parsed_2ley 1 132 1 1 . . . . . . . . . 12 . HN parsed_2ley 1 132 1 2 . . . . . . . . . 15 . HG# parsed_2ley 1 133 1 1 . . . . . . . . . 15 . HB2 parsed_2ley 1 133 1 2 . . . . . . . . . 30 . HB# parsed_2ley 1 134 1 1 . . . . . . . . . 15 . HG# parsed_2ley 1 134 1 2 . . . . . . . . . 16 . HN parsed_2ley 1 135 1 1 . . . . . . . . . 18 . HG# parsed_2ley 1 135 1 2 . . . . . . . . . 27 . HD# parsed_2ley 1 136 1 1 . . . . . . . . . 18 . HG# parsed_2ley 1 136 1 2 . . . . . . . . . 27 . HE# parsed_2ley 1 137 1 1 . . . . . . . . . 19 . HA# parsed_2ley 1 137 1 2 . . . . . . . . . 20 . HN parsed_2ley 1 138 1 1 . . . . . . . . . 22 . HA# parsed_2ley 1 138 1 2 . . . . . . . . . 23 . HN parsed_2ley 1 139 1 1 . . . . . . . . . 22 . HA# parsed_2ley 1 139 1 2 . . . . . . . . . 25 . HD# parsed_2ley 1 140 1 1 . . . . . . . . . 29 . HA parsed_2ley 1 140 1 2 . . . . . . . . . 30 . HD# parsed_2ley 1 141 1 1 . . . . . . . . . 29 . HB# parsed_2ley 1 141 1 2 . . . . . . . . . 30 . HD# parsed_2ley 1 142 1 1 . . . . . . . . . 30 . HB# parsed_2ley 1 142 1 2 . . . . . . . . . 32 . HN parsed_2ley 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 . . . . . 2.470 1.800 3.140 parsed_2ley 1 2 1 . . . . . 2.470 1.800 3.140 parsed_2ley 1 3 1 . . . . . 2.145 1.800 2.490 parsed_2ley 1 4 1 . . . . . 3.155 1.800 4.510 parsed_2ley 1 5 1 . . . . . 2.180 1.800 2.560 parsed_2ley 1 6 1 . . . . . 2.705 1.800 3.610 parsed_2ley 1 7 1 . . . . . 2.195 1.800 2.590 parsed_2ley 1 8 1 . . . . . 2.365 1.800 2.930 parsed_2ley 1 9 1 . . . . . 3.030 1.800 4.260 parsed_2ley 1 10 1 . . . . . 2.160 1.800 2.520 parsed_2ley 1 11 1 . . . . . 2.335 1.800 2.870 parsed_2ley 1 12 1 . . . . . 3.170 1.800 4.540 parsed_2ley 1 13 1 . . . . . 3.515 1.800 5.230 parsed_2ley 1 14 1 . . . . . 2.180 1.800 2.560 parsed_2ley 1 15 1 . . . . . 2.365 1.800 2.930 parsed_2ley 1 16 1 . . . . . 2.565 1.800 3.330 parsed_2ley 1 17 1 . . . . . 3.005 1.800 4.210 parsed_2ley 1 18 1 . . . . . 2.240 1.800 2.680 parsed_2ley 1 19 1 . . . . . 2.735 1.800 3.670 parsed_2ley 1 20 1 . . . . . 2.195 1.800 2.590 parsed_2ley 1 21 1 . . . . . 2.935 1.800 4.070 parsed_2ley 1 22 1 . . . . . 2.380 1.800 2.960 parsed_2ley 1 23 1 . . . . . 3.175 1.800 4.550 parsed_2ley 1 24 1 . . . . . 2.160 1.800 2.520 parsed_2ley 1 25 1 . . . . . 2.210 1.800 2.620 parsed_2ley 1 26 1 . . . . . 2.660 1.800 3.520 parsed_2ley 1 27 1 . . . . . 2.100 1.800 2.400 parsed_2ley 1 28 1 . . . . . 3.125 1.800 4.450 parsed_2ley 1 29 1 . . . . . 3.200 1.800 4.600 parsed_2ley 1 30 1 . . . . . 2.130 1.800 2.460 parsed_2ley 1 31 1 . . . . . 2.955 1.800 4.110 parsed_2ley 1 32 1 . . . . . 2.735 1.800 3.670 parsed_2ley 1 33 1 . . . . . 2.315 1.800 2.830 parsed_2ley 1 34 1 . . . . . 3.090 1.800 4.380 parsed_2ley 1 35 1 . . . . . 2.750 1.800 3.700 parsed_2ley 1 36 1 . . . . . 2.860 1.800 3.920 parsed_2ley 1 37 1 . . . . . 3.140 1.800 4.480 parsed_2ley 1 38 1 . . . . . 2.640 1.800 3.480 parsed_2ley 1 39 1 . . . . . 2.410 1.800 3.020 parsed_2ley 1 40 1 . . . . . 3.370 1.800 4.940 parsed_2ley 1 41 1 . . . . . 3.370 1.800 4.940 parsed_2ley 1 42 1 . . . . . 2.845 1.800 3.890 parsed_2ley 1 43 1 . . . . . 2.505 1.800 3.210 parsed_2ley 1 44 1 . . . . . 2.640 1.800 3.480 parsed_2ley 1 45 1 . . . . . 2.660 1.800 3.520 parsed_2ley 1 46 1 . . . . . 2.315 1.800 2.830 parsed_2ley 1 47 1 . . . . . 2.735 1.800 3.670 parsed_2ley 1 48 1 . . . . . 2.640 1.800 3.480 parsed_2ley 1 49 1 . . . . . 2.875 1.800 3.950 parsed_2ley 1 50 1 . . . . . 2.705 1.800 3.610 parsed_2ley 1 51 1 . . . . . 2.315 1.800 2.830 parsed_2ley 1 52 1 . . . . . 2.255 1.800 2.710 parsed_2ley 1 53 1 . . . . . 2.350 1.800 2.900 parsed_2ley 1 54 1 . . . . . 2.625 1.800 3.450 parsed_2ley 1 55 1 . . . . . 2.795 1.800 3.790 parsed_2ley 1 56 1 . . . . . 2.675 1.800 3.550 parsed_2ley 1 57 1 . . . . . 3.170 1.800 4.540 parsed_2ley 1 58 1 . . . . . 2.815 1.800 3.830 parsed_2ley 1 59 1 . . . . . 2.565 1.800 3.330 parsed_2ley 1 60 1 . . . . . 2.270 1.800 2.740 parsed_2ley 1 61 1 . . . . . 2.610 1.800 3.420 parsed_2ley 1 62 1 . . . . . 2.350 1.800 2.900 parsed_2ley 1 63 1 . . . . . 2.970 1.800 4.140 parsed_2ley 1 64 1 . . . . . 2.210 1.800 2.620 parsed_2ley 1 65 1 . . . . . 2.550 1.800 3.300 parsed_2ley 1 66 1 . . . . . 3.200 1.800 4.600 parsed_2ley 1 67 1 . . . . . 2.720 1.800 3.640 parsed_2ley 1 68 1 . . . . . 2.720 1.800 3.640 parsed_2ley 1 69 1 . . . . . 2.735 1.800 3.670 parsed_2ley 1 70 1 . . . . . 3.650 1.800 5.500 parsed_2ley 1 71 1 . . . . . 2.115 1.800 2.430 parsed_2ley 1 72 1 . . . . . 2.905 1.800 4.010 parsed_2ley 1 73 1 . . . . . 2.100 1.800 2.400 parsed_2ley 1 74 1 . . . . . 4.090 1.800 6.380 parsed_2ley 1 75 1 . . . . . 4.090 1.800 6.380 parsed_2ley 1 76 1 . . . . . 2.845 1.800 3.890 parsed_2ley 1 77 1 . . . . . 4.090 1.800 6.380 parsed_2ley 1 78 1 . . . . . 3.670 1.800 5.540 parsed_2ley 1 79 1 . . . . . 4.720 1.800 7.640 parsed_2ley 1 80 1 . . . . . 4.360 1.800 6.920 parsed_2ley 1 81 1 . . . . . 4.925 1.800 8.050 parsed_2ley 1 82 1 . . . . . 4.280 1.800 6.760 parsed_2ley 1 83 1 . . . . . 4.270 1.800 6.740 parsed_2ley 1 84 1 . . . . . 4.715 1.800 7.630 parsed_2ley 1 85 1 . . . . . 3.245 1.800 4.690 parsed_2ley 1 86 1 . . . . . 4.005 1.800 6.210 parsed_2ley 1 87 1 . . . . . 4.365 1.800 6.930 parsed_2ley 1 88 1 . . . . . 4.005 1.800 6.210 parsed_2ley 1 89 1 . . . . . 4.365 1.800 6.930 parsed_2ley 1 90 1 . . . . . 4.505 1.800 7.210 parsed_2ley 1 91 1 . . . . . 4.495 1.800 7.190 parsed_2ley 1 92 1 . . . . . 4.395 1.800 6.990 parsed_2ley 1 93 1 . . . . . 4.690 1.800 7.580 parsed_2ley 1 94 1 . . . . . 4.715 1.800 7.630 parsed_2ley 1 95 1 . . . . . 2.860 1.800 3.920 parsed_2ley 1 96 1 . . . . . 2.860 1.800 3.920 parsed_2ley 1 97 1 . . . . . 3.935 1.800 6.070 parsed_2ley 1 98 1 . . . . . 3.965 1.800 6.130 parsed_2ley 1 99 1 . . . . . 3.245 1.800 4.690 parsed_2ley 1 100 1 . . . . . 3.480 1.800 5.160 parsed_2ley 1 101 1 . . . . . 3.480 1.800 5.160 parsed_2ley 1 102 1 . . . . . 2.440 1.800 3.080 parsed_2ley 1 103 1 . . . . . 2.440 1.800 3.080 parsed_2ley 1 104 1 . . . . . 5.150 1.800 8.500 parsed_2ley 1 105 1 . . . . . 5.150 1.800 8.500 parsed_2ley 1 106 1 . . . . . 4.720 1.800 7.640 parsed_2ley 1 107 1 . . . . . 3.650 1.800 5.500 parsed_2ley 1 108 1 . . . . . 4.530 1.800 7.260 parsed_2ley 1 109 1 . . . . . 5.155 1.800 8.510 parsed_2ley 1 110 1 . . . . . 4.720 1.800 7.640 parsed_2ley 1 111 1 . . . . . 3.295 1.800 4.790 parsed_2ley 1 112 1 . . . . . 4.045 1.800 6.290 parsed_2ley 1 113 1 . . . . . 3.840 1.800 5.880 parsed_2ley 1 114 1 . . . . . 4.715 1.800 7.630 parsed_2ley 1 115 1 . . . . . 3.590 1.800 5.380 parsed_2ley 1 116 1 . . . . . 4.715 1.800 7.630 parsed_2ley 1 117 1 . . . . . 3.780 1.800 5.760 parsed_2ley 1 118 1 . . . . . 4.165 1.800 6.530 parsed_2ley 1 119 1 . . . . . 4.230 1.800 6.660 parsed_2ley 1 120 1 . . . . . 4.625 1.800 7.450 parsed_2ley 1 121 1 . . . . . 4.570 1.800 7.340 parsed_2ley 1 122 1 . . . . . 3.940 1.800 6.080 parsed_2ley 1 123 1 . . . . . 4.670 1.800 7.540 parsed_2ley 1 124 1 . . . . . 3.225 1.800 4.650 parsed_2ley 1 125 1 . . . . . 4.290 1.800 6.780 parsed_2ley 1 126 1 . . . . . 3.920 1.800 6.040 parsed_2ley 1 127 1 . . . . . 2.310 1.800 2.820 parsed_2ley 1 128 1 . . . . . 5.150 1.800 8.500 parsed_2ley 1 129 1 . . . . . 5.150 1.800 8.500 parsed_2ley 1 130 1 . . . . . 4.090 1.800 6.380 parsed_2ley 1 131 1 . . . . . 2.850 1.800 3.900 parsed_2ley 1 132 1 . . . . . 4.090 1.800 6.380 parsed_2ley 1 133 1 . . . . . 2.865 1.800 3.930 parsed_2ley 1 134 1 . . . . . 4.090 1.800 6.380 parsed_2ley 1 135 1 . . . . . 4.400 1.800 7.000 parsed_2ley 1 136 1 . . . . . 5.155 1.800 8.510 parsed_2ley 1 137 1 . . . . . 2.500 1.800 3.200 parsed_2ley 1 138 1 . . . . . 2.390 1.800 2.980 parsed_2ley 1 139 1 . . . . . 5.150 1.800 8.500 parsed_2ley 1 140 1 . . . . . 2.320 1.800 2.840 parsed_2ley 1 141 1 . . . . . 3.595 1.800 5.390 parsed_2ley 1 142 1 . . . . . 3.420 1.800 5.040 parsed_2ley 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2ley _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2ley 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2ley 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2ley 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2ley 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2ley 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2ley 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2ley 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2ley 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2ley 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2ley 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2ley 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2ley 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2ley 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2ley 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2ley 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2ley 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 90.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2ley 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2ley 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2ley 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2ley 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2ley 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2ley 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2ley 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . N . 4 . CA . 4 . CB . 4 . SG parsed_2ley 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_2ley 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 10 . N . 10 . CA . 10 . CB . 10 . CG parsed_2ley 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . N . 11 . CA . 11 . CB . 11 . SG parsed_2ley 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 25 . N . 25 . CA . 25 . CB . 25 . CG parsed_2ley 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 27 . N . 27 . CA . 27 . CB . 27 . CG parsed_2ley 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 28 . N . 28 . CA . 28 . CB . 28 . SG parsed_2ley 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 29 . N . 29 . CA . 29 . CB . 29 . SG parsed_2ley 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 ; phi angles ! LEU 2 assign (resid 1 and name C ) (resid 2 and name N ) (resid 2 and name CA) (resid 2 and name C ) 1 -100.0 80.0 2 ! LEU 3 ; 1 1 6 12 parsed_2ley 1 2 "! CYS 4" 9 2 9 13 parsed_2ley 1 3 "! TYR 5" 12 2 12 12 parsed_2ley 1 4 "! CYS 6" 15 2 15 15 parsed_2ley 1 5 ; ! ARG 7 assign (resid 6 and name C ) (resid 7 and name N ) (resid 7 and name CA) (resid 7 and name C ) 1 -120.0 30.0 2 ! LYS 8 ; 18 2 21 15 parsed_2ley 1 6 "! HIS 10" 24 2 24 15 parsed_2ley 1 7 "! CYS 11" 27 2 27 15 parsed_2ley 1 8 "! LYS 12" 30 2 30 15 parsed_2ley 1 9 "! ARG 13" 33 2 33 15 parsed_2ley 1 10 "! GLU 15" 36 2 36 13 parsed_2ley 1 11 "! ARG 16" 39 2 39 14 parsed_2ley 1 12 "! VAL 17" 42 2 42 14 parsed_2ley 1 13 "! ARG 18" 45 2 45 14 parsed_2ley 1 14 "! 20 THR" 48 2 48 14 parsed_2ley 1 15 "! CYS 21" 51 2 51 14 parsed_2ley 1 16 "! ILE 23" 54 2 54 14 parsed_2ley 1 17 "! ARG 24" 57 2 57 14 parsed_2ley 1 18 "! PHE 25" 60 2 60 14 parsed_2ley 1 19 "! LEU 26" 63 2 63 16 parsed_2ley 1 20 "! TYR 27" 66 2 66 16 parsed_2ley 1 21 "! CYS 28" 69 2 69 16 parsed_2ley 1 22 "! CYS 29" 72 2 72 16 parsed_2ley 1 23 "! ARG 31" 75 2 75 16 parsed_2ley 1 24 ; chi Angles ! Cys 4 ; 79 1 81 15 parsed_2ley 1 25 "! Tyr 5" 84 2 84 14 parsed_2ley 1 26 ; ! Cys 6 assign (resid 6 and name N ) (resid 6 and name CA) (resid 6 and name CB) (resid 6 and name SG) 1 -180.0 30.0 2 ! His 10 ; 87 3 90 17 parsed_2ley 1 27 "! Cys 11" 93 3 93 17 parsed_2ley 1 28 ; ! Arg 13 assign (resid 13 and name N ) (resid 13 and name CA) (resid 13 and name CB) (resid 13 and name CG) 1 60.0 30.0 2 ! Asp 15 assign (resid 15 and name N ) (resid 15 and name CA) (resid 15 and name CB) (resid 15 and name CG) 1 -180.0 30.0 2 ! Arg 18 assign (resid 18 and name N ) (resid 18 and name CA) (resid 18 and name CB) (resid 18 and name CG) 1 -60.0 30.0 2 ! Cys 21 assign (resid 21 and name N ) (resid 21 and name CA) (resid 21 and name CB) (resid 21 and name SG) 1 60.0 30.0 2 ! Tyr 25 ; 96 2 108 15 parsed_2ley 1 29 ; ! Leu 26 assign (resid 26 and name N ) (resid 26 and name CA) (resid 26 and name CB) (resid 26 and name CG) 1 -60.0 30.0 2 ! Tyr 27 ; 111 2 114 17 parsed_2ley 1 30 "! Cys 28" 117 2 117 16 parsed_2ley 1 31 "! Cys 29" 120 2 120 16 parsed_2ley 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2ley _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_2ley 2 2 1 . . . parsed_2ley 2 3 1 . . . parsed_2ley 2 4 1 . . . parsed_2ley 2 5 1 . . . parsed_2ley 2 6 1 . . . parsed_2ley 2 7 1 . . . parsed_2ley 2 8 1 . . . parsed_2ley 2 9 1 . . . parsed_2ley 2 10 1 . . . parsed_2ley 2 11 1 . . . parsed_2ley 2 12 1 . . . parsed_2ley 2 13 1 . . . parsed_2ley 2 14 1 . . . parsed_2ley 2 15 1 . . . parsed_2ley 2 16 1 . . . parsed_2ley 2 17 1 . . . parsed_2ley 2 18 1 . . . parsed_2ley 2 19 1 . . . parsed_2ley 2 20 1 . . . parsed_2ley 2 21 1 . . . parsed_2ley 2 22 1 . . . parsed_2ley 2 23 1 . . . parsed_2ley 2 24 1 . . . parsed_2ley 2 25 1 . . . parsed_2ley 2 26 1 . . . parsed_2ley 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 5 . HN parsed_2ley 2 1 1 2 . . . . . . . . . 28 . O parsed_2ley 2 2 1 1 . . . . . . . . . 5 . N parsed_2ley 2 2 1 2 . . . . . . . . . 28 . O parsed_2ley 2 3 1 1 . . . . . . . . . 28 . HN parsed_2ley 2 3 1 2 . . . . . . . . . 5 . O parsed_2ley 2 4 1 1 . . . . . . . . . 28 . N parsed_2ley 2 4 1 2 . . . . . . . . . 5 . O parsed_2ley 2 5 1 1 . . . . . . . . . 7 . HN parsed_2ley 2 5 1 2 . . . . . . . . . 26 . O parsed_2ley 2 6 1 1 . . . . . . . . . 7 . N parsed_2ley 2 6 1 2 . . . . . . . . . 26 . O parsed_2ley 2 7 1 1 . . . . . . . . . 26 . HN parsed_2ley 2 7 1 2 . . . . . . . . . 7 . O parsed_2ley 2 8 1 1 . . . . . . . . . 26 . N parsed_2ley 2 8 1 2 . . . . . . . . . 7 . O parsed_2ley 2 9 1 1 . . . . . . . . . 12 . HN parsed_2ley 2 9 1 2 . . . . . . . . . 15 . OE1 parsed_2ley 2 9 1 2 . . . . . . . . . 15 . OE2 parsed_2ley 2 10 1 1 . . . . . . . . . 12 . N parsed_2ley 2 10 1 2 . . . . . . . . . 15 . OE1 parsed_2ley 2 10 1 2 . . . . . . . . . 15 . OE2 parsed_2ley 2 11 1 1 . . . . . . . . . 15 . HN parsed_2ley 2 11 1 2 . . . . . . . . . 12 . O parsed_2ley 2 12 1 1 . . . . . . . . . 15 . N parsed_2ley 2 12 1 2 . . . . . . . . . 12 . O parsed_2ley 2 13 1 1 . . . . . . . . . 16 . HN parsed_2ley 2 13 1 2 . . . . . . . . . 29 . O parsed_2ley 2 14 1 1 . . . . . . . . . 16 . N parsed_2ley 2 14 1 2 . . . . . . . . . 29 . O parsed_2ley 2 15 1 1 . . . . . . . . . 29 . HN parsed_2ley 2 15 1 2 . . . . . . . . . 16 . O parsed_2ley 2 16 1 1 . . . . . . . . . 29 . N parsed_2ley 2 16 1 2 . . . . . . . . . 16 . O parsed_2ley 2 17 1 1 . . . . . . . . . 27 . HN parsed_2ley 2 17 1 2 . . . . . . . . . 19 . O parsed_2ley 2 18 1 1 . . . . . . . . . 27 . N parsed_2ley 2 18 1 2 . . . . . . . . . 19 . O parsed_2ley 2 19 1 1 . . . . . . . . . 21 . HN parsed_2ley 2 19 1 2 . . . . . . . . . 25 . O parsed_2ley 2 20 1 1 . . . . . . . . . 21 . N parsed_2ley 2 20 1 2 . . . . . . . . . 25 . O parsed_2ley 2 21 1 1 . . . . . . . . . 25 . HN parsed_2ley 2 21 1 2 . . . . . . . . . 22 . O parsed_2ley 2 22 1 1 . . . . . . . . . 25 . N parsed_2ley 2 22 1 2 . . . . . . . . . 22 . O parsed_2ley 2 23 1 1 . . . . . . . . . 18 . HN parsed_2ley 2 23 1 2 . . . . . . . . . 27 . O parsed_2ley 2 24 1 1 . . . . . . . . . 18 . N parsed_2ley 2 24 1 2 . . . . . . . . . 27 . O parsed_2ley 2 25 1 1 . . . . . . . . . 10 . HN parsed_2ley 2 25 1 2 . . . . . . . . . 8 . O parsed_2ley 2 26 1 1 . . . . . . . . . 10 . N parsed_2ley 2 26 1 2 . . . . . . . . . 8 . O parsed_2ley 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2 2 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2 3 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2 4 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2 5 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2 6 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2 7 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2 8 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2 9 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2 10 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2 11 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2 12 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2 13 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2 14 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2 15 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2 16 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2 17 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2 18 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2 19 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2 20 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2 21 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2 22 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2 23 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2 24 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2 25 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2 26 1 . . . . . 2.400 1.800 3.000 parsed_2ley 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 1 2 1 14 parsed_2ley 2 stop_ save_
Contact the webmaster for help, if required. Sunday, June 16, 2024 1:22:22 PM GMT (wattos1)