NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
28801 | 1a1p | cing | 2-parsed | STAR | entry | full | 145 |
data_1a1p_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1a1p _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_1a1p 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1a1p _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 1a1p "Master copy" parsed_1a1p stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1a1p _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 1a1p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1a1p 1 1 1a1p.mr . . XPLOR/CNS 2 distance NOE simple 135 parsed_1a1p 1 1 1a1p.mr . . XPLOR/CNS 3 distance "disulfide bond" simple 1 parsed_1a1p 1 1 1a1p.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 9 parsed_1a1p 1 1 1a1p.mr . . XPLOR/CNS 5 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1a1p 1 1 1a1p.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1a1p 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_1a1p _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 COMPLEMENT PROTEIN 12-DEC-97 1A1P *TITLE COMPSTATIN, NMR, 21 STRUCTURES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: COMPSTATIN; *COMPND 3 CHAIN: NULL; *COMPND 4 ENGINEERED: YES; *COMPND 5 OTHER_DETAILS: SYNTHETIC, IDENTIFIED BY A PHAGE-DISPLAYED *COMPND 6 RANDOM PEPTIDE LIBRARY *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: CHEMICAL SYNTHESIS; *SOURCE 3 OTHER_DETAILS: SYNTHETIC, IDENTIFIED BY A PHAGE-DISPLAYED *SOURCE 4 RANDOM PEPTIDE LIBRARY *KEYWDS COMPLEMENT PROTEIN, C3, COMPLEMENT INHIBITOR, NMR, PEPTIDE *KEYWDS 2 STRUCTURE *EXPDTA NMR, 21 STRUCTURES *AUTHOR D.MORIKIS,N.ASSA-MUNT,A.SAHU,J.D.LAMBRIS *REVDAT 1 08-APR-98 1A1P 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1a1p _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_1a1p 1 2 1 . . . parsed_1a1p 1 3 1 . . . parsed_1a1p 1 4 1 . . . parsed_1a1p 1 5 1 . . . parsed_1a1p 1 6 1 . . . parsed_1a1p 1 7 1 . . . parsed_1a1p 1 8 1 . . . parsed_1a1p 1 9 1 . . . parsed_1a1p 1 10 1 . . . parsed_1a1p 1 11 1 . . . parsed_1a1p 1 12 1 . . . parsed_1a1p 1 13 1 . . . parsed_1a1p 1 14 1 . . . parsed_1a1p 1 15 1 . . . parsed_1a1p 1 16 1 . . . parsed_1a1p 1 17 1 . . . parsed_1a1p 1 18 1 . . . parsed_1a1p 1 19 1 . . . parsed_1a1p 1 20 1 . . . parsed_1a1p 1 21 1 . . . parsed_1a1p 1 22 1 . . . parsed_1a1p 1 23 1 . . . parsed_1a1p 1 24 1 . . . parsed_1a1p 1 25 1 . . . parsed_1a1p 1 26 1 . . . parsed_1a1p 1 27 1 . . . parsed_1a1p 1 28 1 . . . parsed_1a1p 1 29 1 . . . parsed_1a1p 1 30 1 . . . parsed_1a1p 1 31 1 . . . parsed_1a1p 1 32 1 . . . parsed_1a1p 1 33 1 . . . parsed_1a1p 1 34 1 . . . parsed_1a1p 1 35 1 . . . parsed_1a1p 1 36 1 . . . parsed_1a1p 1 37 1 . . . parsed_1a1p 1 38 1 . . . parsed_1a1p 1 39 1 . . . parsed_1a1p 1 40 1 . . . parsed_1a1p 1 41 1 . . . parsed_1a1p 1 42 1 . . . parsed_1a1p 1 43 1 . . . parsed_1a1p 1 44 1 . . . parsed_1a1p 1 45 1 . . . parsed_1a1p 1 46 1 . . . parsed_1a1p 1 47 1 . . . parsed_1a1p 1 48 1 . . . parsed_1a1p 1 49 1 . . . parsed_1a1p 1 50 1 . . . parsed_1a1p 1 51 1 . . . parsed_1a1p 1 52 1 . . . parsed_1a1p 1 53 1 . . . parsed_1a1p 1 54 1 . . . parsed_1a1p 1 55 1 . . . parsed_1a1p 1 56 1 . . . parsed_1a1p 1 57 1 . . . parsed_1a1p 1 58 1 . . . parsed_1a1p 1 59 1 . . . parsed_1a1p 1 60 1 . . . parsed_1a1p 1 61 1 . . . parsed_1a1p 1 62 1 . . . parsed_1a1p 1 63 1 . . . parsed_1a1p 1 64 1 . . . parsed_1a1p 1 65 1 . . . parsed_1a1p 1 66 1 . . . parsed_1a1p 1 67 1 . . . parsed_1a1p 1 68 1 . . . parsed_1a1p 1 69 1 . . . parsed_1a1p 1 70 1 . . . parsed_1a1p 1 71 1 . . . parsed_1a1p 1 72 1 . . . parsed_1a1p 1 73 1 . . . parsed_1a1p 1 74 1 . . . parsed_1a1p 1 75 1 . . . parsed_1a1p 1 76 1 . . . parsed_1a1p 1 77 1 . . . parsed_1a1p 1 78 1 . . . parsed_1a1p 1 79 1 . . . parsed_1a1p 1 80 1 . . . parsed_1a1p 1 81 1 . . . parsed_1a1p 1 82 1 . . . parsed_1a1p 1 83 1 . . . parsed_1a1p 1 84 1 . . . parsed_1a1p 1 85 1 . . . parsed_1a1p 1 86 1 . . . parsed_1a1p 1 87 1 . . . parsed_1a1p 1 88 1 . . . parsed_1a1p 1 89 1 . . . parsed_1a1p 1 90 1 . . . parsed_1a1p 1 91 1 . . . parsed_1a1p 1 92 1 . . . parsed_1a1p 1 93 1 . . . parsed_1a1p 1 94 1 . . . parsed_1a1p 1 95 1 . . . parsed_1a1p 1 96 1 . . . parsed_1a1p 1 97 1 . . . parsed_1a1p 1 98 1 . . . parsed_1a1p 1 99 1 . . . parsed_1a1p 1 100 1 . . . parsed_1a1p 1 101 1 . . . parsed_1a1p 1 102 1 . . . parsed_1a1p 1 103 1 . . . parsed_1a1p 1 104 1 . . . parsed_1a1p 1 105 1 . . . parsed_1a1p 1 106 1 . . . parsed_1a1p 1 107 1 . . . parsed_1a1p 1 108 1 . . . parsed_1a1p 1 109 1 . . . parsed_1a1p 1 110 1 . . . parsed_1a1p 1 111 1 . . . parsed_1a1p 1 112 1 . . . parsed_1a1p 1 113 1 . . . parsed_1a1p 1 114 1 . . . parsed_1a1p 1 115 1 . . . parsed_1a1p 1 116 1 . . . parsed_1a1p 1 117 1 . . . parsed_1a1p 1 118 1 . . . parsed_1a1p 1 119 1 . . . parsed_1a1p 1 120 1 . . . parsed_1a1p 1 121 1 . . . parsed_1a1p 1 122 1 . . . parsed_1a1p 1 123 1 . . . parsed_1a1p 1 124 1 . . . parsed_1a1p 1 125 1 . . . parsed_1a1p 1 126 1 . . . parsed_1a1p 1 127 1 . . . parsed_1a1p 1 128 1 . . . parsed_1a1p 1 129 1 . . . parsed_1a1p 1 130 1 . . . parsed_1a1p 1 131 1 . . . parsed_1a1p 1 132 1 . . . parsed_1a1p 1 133 1 . . . parsed_1a1p 1 134 1 . . . parsed_1a1p 1 135 1 . . . parsed_1a1p 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 . HE1 parsed_1a1p 1 1 1 2 . . . . . . . . . 7 . HD1 parsed_1a1p 1 2 1 1 . . . . . . . . . 7 . HE1 parsed_1a1p 1 2 1 2 . . . . . . . . . 7 . HZ2 parsed_1a1p 1 3 1 1 . . . . . . . . . 2 . HN parsed_1a1p 1 3 1 2 . . . . . . . . . 1 . HA parsed_1a1p 1 4 1 1 . . . . . . . . . 2 . HN parsed_1a1p 1 4 1 2 . . . . . . . . . 2 . HB# parsed_1a1p 1 5 1 1 . . . . . . . . . 2 . HN parsed_1a1p 1 5 1 2 . . . . . . . . . 1 . HB parsed_1a1p 1 6 1 1 . . . . . . . . . 3 . HN parsed_1a1p 1 6 1 2 . . . . . . . . . 4 . HN parsed_1a1p 1 7 1 1 . . . . . . . . . 3 . HN parsed_1a1p 1 7 1 2 . . . . . . . . . 2 . HB# parsed_1a1p 1 8 1 1 . . . . . . . . . 3 . HN parsed_1a1p 1 8 1 2 . . . . . . . . . 2 . HA parsed_1a1p 1 9 1 1 . . . . . . . . . 3 . HN parsed_1a1p 1 9 1 2 . . . . . . . . . 3 . HG** parsed_1a1p 1 10 1 1 . . . . . . . . . 3 . HN parsed_1a1p 1 10 1 2 . . . . . . . . . 3 . HA parsed_1a1p 1 11 1 1 . . . . . . . . . 3 . HN parsed_1a1p 1 11 1 2 . . . . . . . . . 3 . HB parsed_1a1p 1 12 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1 12 1 2 . . . . . . . . . 11 . HN parsed_1a1p 1 13 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1 13 1 2 . . . . . . . . . 11 . HB# parsed_1a1p 1 14 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1 14 1 2 . . . . . . . . . 11 . HG# parsed_1a1p 1 15 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1 15 1 2 . . . . . . . . . 12 . HB2 parsed_1a1p 1 16 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1 16 1 2 . . . . . . . . . 12 . HB1 parsed_1a1p 1 17 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1 17 1 2 . . . . . . . . . 11 . HA parsed_1a1p 1 18 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1 18 1 2 . . . . . . . . . 12 . HA parsed_1a1p 1 19 1 1 . . . . . . . . . 10 . HN parsed_1a1p 1 19 1 2 . . . . . . . . . 10 . HB# parsed_1a1p 1 20 1 1 . . . . . . . . . 10 . HN parsed_1a1p 1 20 1 2 . . . . . . . . . 10 . HA parsed_1a1p 1 21 1 1 . . . . . . . . . 11 . HN parsed_1a1p 1 21 1 2 . . . . . . . . . 10 . HA parsed_1a1p 1 22 1 1 . . . . . . . . . 11 . HN parsed_1a1p 1 22 1 2 . . . . . . . . . 10 . HB# parsed_1a1p 1 23 1 1 . . . . . . . . . 11 . HN parsed_1a1p 1 23 1 2 . . . . . . . . . 11 . HB# parsed_1a1p 1 24 1 1 . . . . . . . . . 11 . HN parsed_1a1p 1 24 1 2 . . . . . . . . . 11 . HG# parsed_1a1p 1 25 1 1 . . . . . . . . . 11 . HN parsed_1a1p 1 25 1 2 . . . . . . . . . 11 . HA parsed_1a1p 1 26 1 1 . . . . . . . . . 8 . HN parsed_1a1p 1 26 1 2 . . . . . . . . . 7 . HB# parsed_1a1p 1 27 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1 27 1 2 . . . . . . . . . 4 . HA parsed_1a1p 1 28 1 1 . . . . . . . . . 8 . HN parsed_1a1p 1 28 1 2 . . . . . . . . . 9 . HN parsed_1a1p 1 29 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1 29 1 2 . . . . . . . . . 4 . HG** parsed_1a1p 1 30 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1 30 1 2 . . . . . . . . . 5 . HA parsed_1a1p 1 31 1 1 . . . . . . . . . 8 . HN parsed_1a1p 1 31 1 2 . . . . . . . . . 7 . HN parsed_1a1p 1 32 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1 32 1 2 . . . . . . . . . 6 . HN parsed_1a1p 1 33 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1 33 1 2 . . . . . . . . . 5 . HG# parsed_1a1p 1 34 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1 34 1 2 . . . . . . . . . 3 . HG** parsed_1a1p 1 35 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1 35 1 2 . . . . . . . . . 4 . HB parsed_1a1p 1 36 1 1 . . . . . . . . . 8 . HN parsed_1a1p 1 36 1 2 . . . . . . . . . 8 . HA# parsed_1a1p 1 37 1 1 . . . . . . . . . 8 . HN parsed_1a1p 1 37 1 2 . . . . . . . . . 7 . HA parsed_1a1p 1 38 1 1 . . . . . . . . . 13 . HN parsed_1a1p 1 38 1 2 . . . . . . . . . 13 . HB parsed_1a1p 1 39 1 1 . . . . . . . . . 13 . HN parsed_1a1p 1 39 1 2 . . . . . . . . . 12 . HB1 parsed_1a1p 1 40 1 1 . . . . . . . . . 13 . HN parsed_1a1p 1 40 1 2 . . . . . . . . . 13 . HG2# parsed_1a1p 1 41 1 1 . . . . . . . . . 13 . HN parsed_1a1p 1 41 1 2 . . . . . . . . . 13 . HA parsed_1a1p 1 42 1 1 . . . . . . . . . 13 . HN parsed_1a1p 1 42 1 2 . . . . . . . . . 12 . HA parsed_1a1p 1 43 1 1 . . . . . . . . . 9 . HE1 parsed_1a1p 1 43 1 2 . . . . . . . . . 9 . HD2 parsed_1a1p 1 44 1 1 . . . . . . . . . 4 . HN parsed_1a1p 1 44 1 2 . . . . . . . . . 4 . HG** parsed_1a1p 1 45 1 1 . . . . . . . . . 4 . HN parsed_1a1p 1 45 1 2 . . . . . . . . . 3 . HG** parsed_1a1p 1 46 1 1 . . . . . . . . . 4 . HN parsed_1a1p 1 46 1 2 . . . . . . . . . 4 . HA parsed_1a1p 1 47 1 1 . . . . . . . . . 4 . HN parsed_1a1p 1 47 1 2 . . . . . . . . . 4 . HB parsed_1a1p 1 48 1 1 . . . . . . . . . 4 . HN parsed_1a1p 1 48 1 2 . . . . . . . . . 3 . HB parsed_1a1p 1 49 1 1 . . . . . . . . . 4 . HN parsed_1a1p 1 49 1 2 . . . . . . . . . 3 . HA parsed_1a1p 1 50 1 1 . . . . . . . . . 10 . HE1 parsed_1a1p 1 50 1 2 . . . . . . . . . 10 . HD2 parsed_1a1p 1 51 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1 51 1 2 . . . . . . . . . 6 . HA parsed_1a1p 1 52 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1 52 1 2 . . . . . . . . . 5 . HB# parsed_1a1p 1 53 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1 53 1 2 . . . . . . . . . 7 . HN parsed_1a1p 1 54 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1 54 1 2 . . . . . . . . . 6 . HB# parsed_1a1p 1 55 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1 55 1 2 . . . . . . . . . 5 . HA parsed_1a1p 1 56 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1 56 1 2 . . . . . . . . . 5 . HG# parsed_1a1p 1 57 1 1 . . . . . . . . . 9 . HN parsed_1a1p 1 57 1 2 . . . . . . . . . 9 . HA parsed_1a1p 1 58 1 1 . . . . . . . . . 9 . HN parsed_1a1p 1 58 1 2 . . . . . . . . . 8 . HA# parsed_1a1p 1 59 1 1 . . . . . . . . . 9 . HN parsed_1a1p 1 59 1 2 . . . . . . . . . 9 . HB2 parsed_1a1p 1 60 1 1 . . . . . . . . . 9 . HN parsed_1a1p 1 60 1 2 . . . . . . . . . 9 . HB1 parsed_1a1p 1 61 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1 61 1 2 . . . . . . . . . 7 . HE3 parsed_1a1p 1 62 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1 62 1 2 . . . . . . . . . 7 . HA parsed_1a1p 1 63 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1 63 1 2 . . . . . . . . . 6 . HA parsed_1a1p 1 64 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1 64 1 2 . . . . . . . . . 6 . HB# parsed_1a1p 1 65 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1 65 1 2 . . . . . . . . . 7 . HD1 parsed_1a1p 1 66 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1 66 1 2 . . . . . . . . . 7 . HB# parsed_1a1p 1 67 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1 67 1 2 . . . . . . . . . 5 . HB# parsed_1a1p 1 68 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1 68 1 2 . . . . . . . . . 5 . HG# parsed_1a1p 1 69 1 1 . . . . . . . . . 13 . H1 parsed_1a1p 1 69 1 2 . . . . . . . . . 13 . HA parsed_1a1p 1 70 1 1 . . . . . . . . . 13 . H1 parsed_1a1p 1 70 1 2 . . . . . . . . . 13 . HB parsed_1a1p 1 71 1 1 . . . . . . . . . 13 . H1 parsed_1a1p 1 71 1 2 . . . . . . . . . 13 . H2 parsed_1a1p 1 72 1 1 . . . . . . . . . 13 . H1 parsed_1a1p 1 72 1 2 . . . . . . . . . 13 . HG2# parsed_1a1p 1 73 1 1 . . . . . . . . . 7 . HE3 parsed_1a1p 1 73 1 2 . . . . . . . . . 7 . HZ3 parsed_1a1p 1 74 1 1 . . . . . . . . . 7 . HE3 parsed_1a1p 1 74 1 2 . . . . . . . . . 8 . HA# parsed_1a1p 1 75 1 1 . . . . . . . . . 7 . HE3 parsed_1a1p 1 75 1 2 . . . . . . . . . 7 . HB# parsed_1a1p 1 76 1 1 . . . . . . . . . 7 . HE3 parsed_1a1p 1 76 1 2 . . . . . . . . . 7 . HA parsed_1a1p 1 77 1 1 . . . . . . . . . 7 . HZ2 parsed_1a1p 1 77 1 2 . . . . . . . . . 7 . HH2 parsed_1a1p 1 78 1 1 . . . . . . . . . 5 . HE2# parsed_1a1p 1 78 1 2 . . . . . . . . . 5 . HG# parsed_1a1p 1 79 1 1 . . . . . . . . . 5 . HE2# parsed_1a1p 1 79 1 2 . . . . . . . . . 5 . HB# parsed_1a1p 1 80 1 1 . . . . . . . . . 5 . HE21 parsed_1a1p 1 80 1 2 . . . . . . . . . 5 . HE22 parsed_1a1p 1 81 1 1 . . . . . . . . . 13 . H2 parsed_1a1p 1 81 1 2 . . . . . . . . . 13 . HA parsed_1a1p 1 82 1 1 . . . . . . . . . 13 . H2 parsed_1a1p 1 82 1 2 . . . . . . . . . 13 . HB parsed_1a1p 1 83 1 1 . . . . . . . . . 13 . H2 parsed_1a1p 1 83 1 2 . . . . . . . . . 13 . HG2# parsed_1a1p 1 84 1 1 . . . . . . . . . 7 . HD1 parsed_1a1p 1 84 1 2 . . . . . . . . . 7 . HB# parsed_1a1p 1 85 1 1 . . . . . . . . . 7 . HD1 parsed_1a1p 1 85 1 2 . . . . . . . . . 7 . HA parsed_1a1p 1 86 1 1 . . . . . . . . . 11 . HE parsed_1a1p 1 86 1 2 . . . . . . . . . 11 . HB# parsed_1a1p 1 87 1 1 . . . . . . . . . 11 . HE parsed_1a1p 1 87 1 2 . . . . . . . . . 11 . HG# parsed_1a1p 1 88 1 1 . . . . . . . . . 11 . HE parsed_1a1p 1 88 1 2 . . . . . . . . . 11 . HD# parsed_1a1p 1 89 1 1 . . . . . . . . . 7 . HH2 parsed_1a1p 1 89 1 2 . . . . . . . . . 7 . HZ3 parsed_1a1p 1 90 1 1 . . . . . . . . . 9 . HD2 parsed_1a1p 1 90 1 2 . . . . . . . . . 9 . HB2 parsed_1a1p 1 91 1 1 . . . . . . . . . 9 . HD2 parsed_1a1p 1 91 1 2 . . . . . . . . . 9 . HB1 parsed_1a1p 1 92 1 1 . . . . . . . . . 10 . HD2 parsed_1a1p 1 92 1 2 . . . . . . . . . 10 . HB# parsed_1a1p 1 93 1 1 . . . . . . . . . 11 . HH11 parsed_1a1p 1 93 1 2 . . . . . . . . . 11 . HH12 parsed_1a1p 1 94 1 1 . . . . . . . . . 7 . HA parsed_1a1p 1 94 1 2 . . . . . . . . . 7 . HB# parsed_1a1p 1 95 1 1 . . . . . . . . . 6 . HA parsed_1a1p 1 95 1 2 . . . . . . . . . 6 . HB# parsed_1a1p 1 96 1 1 . . . . . . . . . 11 . HA parsed_1a1p 1 96 1 2 . . . . . . . . . 11 . HB# parsed_1a1p 1 97 1 1 . . . . . . . . . 11 . HA parsed_1a1p 1 97 1 2 . . . . . . . . . 11 . HG# parsed_1a1p 1 98 1 1 . . . . . . . . . 13 . HA parsed_1a1p 1 98 1 2 . . . . . . . . . 13 . HG2# parsed_1a1p 1 99 1 1 . . . . . . . . . 5 . HA parsed_1a1p 1 99 1 2 . . . . . . . . . 5 . HG# parsed_1a1p 1 100 1 1 . . . . . . . . . 5 . HA parsed_1a1p 1 100 1 2 . . . . . . . . . 5 . HB# parsed_1a1p 1 101 1 1 . . . . . . . . . 13 . HB parsed_1a1p 1 101 1 2 . . . . . . . . . 13 . HG2# parsed_1a1p 1 102 1 1 . . . . . . . . . 3 . HA parsed_1a1p 1 102 1 2 . . . . . . . . . 3 . HG** parsed_1a1p 1 103 1 1 . . . . . . . . . 3 . HA parsed_1a1p 1 103 1 2 . . . . . . . . . 3 . HB parsed_1a1p 1 104 1 1 . . . . . . . . . 3 . HA parsed_1a1p 1 104 1 2 . . . . . . . . . 4 . HG** parsed_1a1p 1 105 1 1 . . . . . . . . . 1 . HA parsed_1a1p 1 105 1 2 . . . . . . . . . 1 . HD1# parsed_1a1p 1 106 1 1 . . . . . . . . . 1 . HA parsed_1a1p 1 106 1 2 . . . . . . . . . 1 . HG2# parsed_1a1p 1 107 1 1 . . . . . . . . . 1 . HA parsed_1a1p 1 107 1 2 . . . . . . . . . 1 . HB parsed_1a1p 1 108 1 1 . . . . . . . . . 1 . HB parsed_1a1p 1 108 1 2 . . . . . . . . . 1 . HG1# parsed_1a1p 1 109 1 1 . . . . . . . . . 1 . HB parsed_1a1p 1 109 1 2 . . . . . . . . . 1 . HG2# parsed_1a1p 1 110 1 1 . . . . . . . . . 4 . HA parsed_1a1p 1 110 1 2 . . . . . . . . . 4 . HB parsed_1a1p 1 111 1 1 . . . . . . . . . 4 . HA parsed_1a1p 1 111 1 2 . . . . . . . . . 4 . HG** parsed_1a1p 1 112 1 1 . . . . . . . . . 3 . HB parsed_1a1p 1 112 1 2 . . . . . . . . . 3 . HG** parsed_1a1p 1 113 1 1 . . . . . . . . . 4 . HB parsed_1a1p 1 113 1 2 . . . . . . . . . 4 . HG** parsed_1a1p 1 114 1 1 . . . . . . . . . 9 . HB1 parsed_1a1p 1 114 1 2 . . . . . . . . . 9 . HB2 parsed_1a1p 1 115 1 1 . . . . . . . . . 12 . HB1 parsed_1a1p 1 115 1 2 . . . . . . . . . 12 . HB2 parsed_1a1p 1 116 1 1 . . . . . . . . . 11 . HD# parsed_1a1p 1 116 1 2 . . . . . . . . . 11 . HB# parsed_1a1p 1 117 1 1 . . . . . . . . . 11 . HD# parsed_1a1p 1 117 1 2 . . . . . . . . . 11 . HG# parsed_1a1p 1 118 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1 118 1 2 . . . . . . . . . 3 . HG** parsed_1a1p 1 119 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1 119 1 2 . . . . . . . . . 3 . HG** parsed_1a1p 1 120 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1 120 1 2 . . . . . . . . . 4 . HG** parsed_1a1p 1 121 1 1 . . . . . . . . . 7 . HD1 parsed_1a1p 1 121 1 2 . . . . . . . . . 6 . HB# parsed_1a1p 1 122 1 1 . . . . . . . . . 7 . HD1 parsed_1a1p 1 122 1 2 . . . . . . . . . 6 . HN parsed_1a1p 1 123 1 1 . . . . . . . . . 7 . HD1 parsed_1a1p 1 123 1 2 . . . . . . . . . 8 . HA# parsed_1a1p 1 124 1 1 . . . . . . . . . 7 . HE1 parsed_1a1p 1 124 1 2 . . . . . . . . . 5 . HB# parsed_1a1p 1 125 1 1 . . . . . . . . . 7 . HE1 parsed_1a1p 1 125 1 2 . . . . . . . . . 5 . HG# parsed_1a1p 1 126 1 1 . . . . . . . . . 7 . HE3 parsed_1a1p 1 126 1 2 . . . . . . . . . 6 . HB# parsed_1a1p 1 127 1 1 . . . . . . . . . 7 . HE3 parsed_1a1p 1 127 1 2 . . . . . . . . . 6 . HN parsed_1a1p 1 128 1 1 . . . . . . . . . 9 . HD2 parsed_1a1p 1 128 1 2 . . . . . . . . . 6 . HB# parsed_1a1p 1 129 1 1 . . . . . . . . . 9 . HD2 parsed_1a1p 1 129 1 2 . . . . . . . . . 5 . HG# parsed_1a1p 1 130 1 1 . . . . . . . . . 10 . HD2 parsed_1a1p 1 130 1 2 . . . . . . . . . 4 . HG** parsed_1a1p 1 131 1 1 . . . . . . . . . 9 . HN parsed_1a1p 1 131 1 2 . . . . . . . . . 10 . HN parsed_1a1p 1 132 1 1 . . . . . . . . . 10 . HN parsed_1a1p 1 132 1 2 . . . . . . . . . 11 . HN parsed_1a1p 1 133 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1 133 1 2 . . . . . . . . . 13 . HN parsed_1a1p 1 134 1 1 . . . . . . . . . 13 . HN parsed_1a1p 1 134 1 2 . . . . . . . . . 13 . H1 parsed_1a1p 1 135 1 1 . . . . . . . . . 8 . HN parsed_1a1p 1 135 1 2 . . . . . . . . . 6 . HB# parsed_1a1p 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 . . . . . 2.9 1.8 2.9 parsed_1a1p 1 2 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 3 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 4 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 5 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1 6 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 7 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 8 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 9 1 . . . . . 2.9 1.8 3.4 parsed_1a1p 1 10 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 11 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 12 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 13 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 14 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 15 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 16 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 17 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1 18 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 19 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 20 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 21 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 22 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 23 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 24 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 25 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 26 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 27 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1 28 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 29 1 . . . . . 3.5 1.8 4.0 parsed_1a1p 1 30 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 31 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 32 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 33 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 34 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1 35 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 36 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1 37 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 38 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 39 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 40 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1 41 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 42 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 43 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 44 1 . . . . . 3.5 1.8 4.0 parsed_1a1p 1 45 1 . . . . . 3.5 1.8 4.0 parsed_1a1p 1 46 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 47 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1 48 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 49 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1 50 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 51 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 52 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 53 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 54 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1 55 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1 56 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 57 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 58 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 59 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 60 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 61 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 62 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 63 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 64 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 65 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 66 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1 67 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 68 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 69 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 70 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 71 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1 72 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1 73 1 . . . . . 2.7 1.8 2.7 parsed_1a1p 1 74 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 75 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1 76 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 77 1 . . . . . 2.7 1.8 2.7 parsed_1a1p 1 78 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 79 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1 80 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1 81 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 82 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 83 1 . . . . . 6.0 3.0 6.5 parsed_1a1p 1 84 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1 85 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 86 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 87 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 88 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 89 1 . . . . . 2.7 1.8 2.7 parsed_1a1p 1 90 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 91 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 92 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1 93 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1 94 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1 95 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1 96 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1 97 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1 98 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1 99 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1 100 1 . . . . . 2.7 1.8 2.7 parsed_1a1p 1 101 1 . . . . . 3.3 1.8 3.8 parsed_1a1p 1 102 1 . . . . . 2.7 1.8 3.2 parsed_1a1p 1 103 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1 104 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1 105 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1 106 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1 107 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1 108 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 109 1 . . . . . 3.3 1.8 3.8 parsed_1a1p 1 110 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1 111 1 . . . . . 3.3 1.8 3.8 parsed_1a1p 1 112 1 . . . . . 2.7 1.8 3.2 parsed_1a1p 1 113 1 . . . . . 2.7 1.8 3.2 parsed_1a1p 1 114 1 . . . . . 2.7 1.8 2.7 parsed_1a1p 1 115 1 . . . . . 2.7 1.8 2.7 parsed_1a1p 1 116 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1 117 1 . . . . . 2.7 1.8 2.7 parsed_1a1p 1 118 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1 119 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1 120 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1 121 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1 122 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1 123 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1 124 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1 125 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1 126 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1 127 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1 128 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1 129 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1 130 1 . . . . . 6.0 3.0 6.5 parsed_1a1p 1 131 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 132 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1 133 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 134 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1 135 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 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 ; This file contains restraint lists for NOEs, dihedral angles and 3JNH-Ha coupling constants. NOE restraints of Compstatin c3bp_noe.tbl ; 1 1 4 15 parsed_1a1p 1 2 ; assign ( resid 12 and name HN ) ( resid 11 and name HB2 ) 5.0 3.2 0 assign ( resid 12 and name HN ) ( resid 11 and name HB1 ) 5.0 3.2 0 ; 21 1 22 70 parsed_1a1p 1 3 ; assign ( resid 11 and name HN ) ( resid 11 and name HB1 ) 3.5 1.7 0 assign ( resid 11 and name HN ) ( resid 11 and name HB2 ) 2.9 1.1 0 ; 35 1 36 70 parsed_1a1p 1 4 ; assign ( resid 5 and name HN ) ( resid 4 and name HG1# ) 5.0 3.2 0.5 assign ( resid 5 and name HN ) ( resid 4 and name HG2# ) 3.5 1.7 0.5 ; 44 1 45 71 parsed_1a1p 1 5 ; assign ( resid 4 and name HN ) ( resid 4 and name HG1# ) 3.5 1.7 0.5 assign ( resid 4 and name HN ) ( resid 4 and name HG2# ) 5.0 3.2 0.5 ; 65 1 66 71 parsed_1a1p 1 6 ; assign ( resid 5 and name HE21 ) ( resid 5 and name HB# ) 6.0 3.0 0 assign ( resid 5 and name HE21 ) ( resid 5 and name HG# ) 3.5 1.7 0 assign ( resid 5 and name HE22 ) ( resid 5 and name HG# ) 5.0 3.2 0 ; 109 1 111 70 parsed_1a1p 1 7 "assign ( resid 11 and name HE ) ( resid 11 and name HB2 ) 5.0 3.2 0" 123 1 123 70 parsed_1a1p 1 8 ; assign ( resid 11 and name HA ) ( resid 11 and name HB1 ) 3.3 1.5 0 assign ( resid 11 and name HA ) ( resid 11 and name HB2 ) 3.3 1.5 0 ; 141 1 142 70 parsed_1a1p 1 9 "assign ( resid 3 and name HA ) ( resid 4 and name HG2# ) 5.0 3.2 0.5" 155 1 155 71 parsed_1a1p 1 10 ; assign ( resid 1 and name HB ) ( resid 1 and name HG11 ) 5.0 3.2 0 assign ( resid 1 and name HB ) ( resid 1 and name HG12 ) 5.0 3.2 0 ; 162 1 163 69 parsed_1a1p 1 11 ; assign ( resid 4 and name HA ) ( resid 4 and name HG2# ) 3.3 1.5 0.5 assign ( resid 4 and name HA ) ( resid 4 and name HG1# ) 3.3 1.5 0.5 ; 168 1 169 71 parsed_1a1p 1 12 ; assign ( resid 4 and name HB ) ( resid 4 and name HG1# ) 2.7 0.9 0.5 assign ( resid 4 and name HB ) ( resid 4 and name HG2# ) 2.7 0.9 0.5 ; 173 1 174 71 parsed_1a1p 1 13 ; assign ( resid 11 and name HD# ) ( resid 11 and name HB2 ) 3.3 1.5 0 assign ( resid 11 and name HD# ) ( resid 11 and name HB1 ) 3.3 1.5 0 ; 181 1 182 71 parsed_1a1p 1 14 ; assign ( resid 5 and name HE21 ) ( resid 3 and name HG** ) 6.0 3.0 0.5 assign ( resid 5 and name HE2# ) ( resid 3 and name HG** ) 6.0 3.0 0.5 assign ( resid 5 and name HE21 ) ( resid 4 and name HG** ) 6.0 3.0 0.5 assign ( resid 5 and name HE2# ) ( resid 4 and name HG** ) 6.0 3.0 0.5 ; 187 1 190 73 parsed_1a1p 1 15 "assign ( resid 6 and name HN ) ( resid 4 and name HG2# ) 5.0 3.2 0.5" 192 1 192 71 parsed_1a1p 1 16 ; assign ( resid 10 and name HD2 ) ( resid 4 and name HG1# ) 6.0 3.0 0.5 assign ( resid 10 and name HD2 ) ( resid 4 and name HG2# ) 6.0 3.0 0.5 ; 206 1 207 73 parsed_1a1p 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1a1p _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "disulfide bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_1a1p 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 . SG parsed_1a1p 2 1 1 2 . . . . . . . . . 12 . SG parsed_1a1p 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 . . . . . 2.02 1.92 2.12 parsed_1a1p 2 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1a1p _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1a1p 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_1a1p 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1a1p 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1a1p 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1a1p 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1a1p 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1a1p 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 9 . N . 9 . CA . 9 . CB . 9 . CG parsed_1a1p 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 12 . N . 12 . CA . 12 . CB . 12 . SG parsed_1a1p 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 angle restraints of Compstatin c3bp_dihe.tbl Phi-angles c2 ; 1 1 7 5 parsed_1a1p 1 2 v3 11 1 11 5 parsed_1a1p 1 3 w7 15 1 15 5 parsed_1a1p 1 4 h9 19 1 19 5 parsed_1a1p 1 5 h10 23 1 23 6 parsed_1a1p 1 6 c12 27 1 27 7 parsed_1a1p 1 7 t13 31 1 31 6 parsed_1a1p 1 8 ; Chi-angles h9 ; 36 1 38 5 parsed_1a1p 1 9 c12 42 1 42 6 parsed_1a1p 1 stop_ save_
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