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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
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37074 |
1p0l ![]() ![]() |
cing | 2-parsed | STAR | entry | full | 151 |
data_1p0l_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1p0l _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_1p0l 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1p0l _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 1p0l "Master copy" parsed_1p0l stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1p0l _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 1p0l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1p0l 1 1 1p0l.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1p0l 1 1 1p0l.mr . . XPLOR/CNS 3 distance NOE simple 136 parsed_1p0l 1 1 1p0l.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1p0l 1 1 1p0l.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 15 parsed_1p0l 1 1 1p0l.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1p0l 1 1 1p0l.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1p0l 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_1p0l _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 RIBOSOME 10-APR-03 1P0L *TITLE HP (2-20) SUBSTITUTION GLN TO TRP MODIFICATION IN SDS-D25 *TITLE 2 MICELLES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 19-MER PEPTIDE FROM 50S RIBOSOMAL PROTEIN L1; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: RIBOSOMAL PROTEIN L1; *COMPND 5 ENGINEERED: YES; *COMPND 6 MUTATION: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED. *SOURCE 4 THE SEQUENCE FOR THIS PEPTIDE WHICH N-TERMINUS OF *SOURCE 5 HELICOBACTER PYLORI RIBOSOMAL PROTEIN L1 *KEYWDS COIL-HELIX-COIL *EXPDTA NMR, 20 STRUCTURES *AUTHOR K.H.LEE, D.G.LEE, Y.K.PARK, K.S.HARM, Y.M.KIM *REVDAT 1 20-MAY-03 1P0L 0 ; save_ save_MR_file_comment_2 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1p0l _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 2 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; set message=off echo=off end ; save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1p0l _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _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_1p0l 1 2 1 . . . parsed_1p0l 1 3 1 . . . parsed_1p0l 1 4 1 . . . parsed_1p0l 1 5 1 . . . parsed_1p0l 1 6 1 . . . parsed_1p0l 1 7 1 . . . parsed_1p0l 1 8 1 . . . parsed_1p0l 1 9 1 . . . parsed_1p0l 1 10 1 . . . parsed_1p0l 1 11 1 . . . parsed_1p0l 1 12 1 . . . parsed_1p0l 1 13 1 . . . parsed_1p0l 1 14 1 . . . parsed_1p0l 1 15 1 . . . parsed_1p0l 1 16 1 . . . parsed_1p0l 1 17 1 . . . parsed_1p0l 1 18 1 . . . parsed_1p0l 1 19 1 . . . parsed_1p0l 1 20 1 . . . parsed_1p0l 1 21 1 . . . parsed_1p0l 1 22 1 . . . parsed_1p0l 1 23 1 . . . parsed_1p0l 1 24 1 . . . parsed_1p0l 1 25 1 . . . parsed_1p0l 1 26 1 . . . parsed_1p0l 1 27 1 . . . parsed_1p0l 1 28 1 . . . parsed_1p0l 1 29 1 . . . parsed_1p0l 1 30 1 . . . parsed_1p0l 1 31 1 . . . parsed_1p0l 1 32 1 . . . parsed_1p0l 1 33 1 . . . parsed_1p0l 1 34 1 . . . parsed_1p0l 1 35 1 . . . parsed_1p0l 1 36 1 . . . parsed_1p0l 1 37 1 . . . parsed_1p0l 1 38 1 . . . parsed_1p0l 1 39 1 . . . parsed_1p0l 1 40 1 . . . parsed_1p0l 1 41 1 . . . parsed_1p0l 1 42 1 . . . parsed_1p0l 1 43 1 . . . parsed_1p0l 1 44 1 . . . parsed_1p0l 1 45 1 . . . parsed_1p0l 1 46 1 . . . parsed_1p0l 1 47 1 . . . parsed_1p0l 1 48 1 . . . parsed_1p0l 1 49 1 . . . parsed_1p0l 1 50 1 . . . parsed_1p0l 1 51 1 . . . parsed_1p0l 1 52 1 . . . parsed_1p0l 1 53 1 . . . parsed_1p0l 1 54 1 . . . parsed_1p0l 1 55 1 . . . parsed_1p0l 1 56 1 . . . parsed_1p0l 1 57 1 . . . parsed_1p0l 1 58 1 . . . parsed_1p0l 1 59 1 . . . parsed_1p0l 1 60 1 . . . parsed_1p0l 1 61 1 . . . parsed_1p0l 1 62 1 . . . parsed_1p0l 1 63 1 . . . parsed_1p0l 1 64 1 . . . parsed_1p0l 1 65 1 . . . parsed_1p0l 1 66 1 . . . parsed_1p0l 1 67 1 . . . parsed_1p0l 1 68 1 . . . parsed_1p0l 1 69 1 . . . parsed_1p0l 1 70 1 . . . parsed_1p0l 1 71 1 . . . parsed_1p0l 1 72 1 . . . parsed_1p0l 1 73 1 . . . parsed_1p0l 1 74 1 . . . parsed_1p0l 1 75 1 . . . parsed_1p0l 1 76 1 . . . parsed_1p0l 1 77 1 . . . parsed_1p0l 1 78 1 . . . parsed_1p0l 1 79 1 . . . parsed_1p0l 1 80 1 . . . parsed_1p0l 1 81 1 . . . parsed_1p0l 1 82 1 . . . parsed_1p0l 1 83 1 . . . parsed_1p0l 1 84 1 . . . parsed_1p0l 1 85 1 . . . parsed_1p0l 1 86 1 . . . parsed_1p0l 1 87 1 . . . parsed_1p0l 1 88 1 . . . parsed_1p0l 1 89 1 . . . parsed_1p0l 1 90 1 . . . parsed_1p0l 1 91 1 . . . parsed_1p0l 1 92 1 . . . parsed_1p0l 1 93 1 . . . parsed_1p0l 1 94 1 . . . parsed_1p0l 1 95 1 . . . parsed_1p0l 1 96 1 . . . parsed_1p0l 1 97 1 . . . parsed_1p0l 1 98 1 . . . parsed_1p0l 1 99 1 . . . parsed_1p0l 1 100 1 . . . parsed_1p0l 1 101 1 . . . parsed_1p0l 1 102 1 . . . parsed_1p0l 1 103 1 . . . parsed_1p0l 1 104 1 . . . parsed_1p0l 1 105 1 . . . parsed_1p0l 1 106 1 . . . parsed_1p0l 1 107 1 . . . parsed_1p0l 1 108 1 . . . parsed_1p0l 1 109 1 . . . parsed_1p0l 1 110 1 . . . parsed_1p0l 1 111 1 . . . parsed_1p0l 1 112 1 . . . parsed_1p0l 1 113 1 . . . parsed_1p0l 1 114 1 . . . parsed_1p0l 1 115 1 . . . parsed_1p0l 1 116 1 . . . parsed_1p0l 1 117 1 . . . parsed_1p0l 1 118 1 . . . parsed_1p0l 1 119 1 . . . parsed_1p0l 1 120 1 . . . parsed_1p0l 1 121 1 . . . parsed_1p0l 1 122 1 . . . parsed_1p0l 1 123 1 . . . parsed_1p0l 1 124 1 . . . parsed_1p0l 1 125 1 . . . parsed_1p0l 1 126 1 . . . parsed_1p0l 1 127 1 . . . parsed_1p0l 1 128 1 . . . parsed_1p0l 1 129 1 . . . parsed_1p0l 1 130 1 . . . parsed_1p0l 1 131 1 . . . parsed_1p0l 1 132 1 . . . parsed_1p0l 1 133 1 . . . parsed_1p0l 1 134 1 . . . parsed_1p0l 1 135 1 . . . parsed_1p0l 1 136 1 . . . parsed_1p0l 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 . HN parsed_1p0l 1 1 1 2 . . . . . . . . . 3 . HN parsed_1p0l 1 2 1 1 . . . . . . . . . 3 . HN parsed_1p0l 1 2 1 2 . . . . . . . . . 4 . HN parsed_1p0l 1 3 1 1 . . . . . . . . . 4 . HN parsed_1p0l 1 3 1 2 . . . . . . . . . 5 . HN parsed_1p0l 1 4 1 1 . . . . . . . . . 5 . HN parsed_1p0l 1 4 1 2 . . . . . . . . . 6 . HN parsed_1p0l 1 5 1 1 . . . . . . . . . 6 . HN parsed_1p0l 1 5 1 2 . . . . . . . . . 7 . HN parsed_1p0l 1 6 1 1 . . . . . . . . . 7 . HN parsed_1p0l 1 6 1 2 . . . . . . . . . 8 . HN parsed_1p0l 1 7 1 1 . . . . . . . . . 8 . HN parsed_1p0l 1 7 1 2 . . . . . . . . . 9 . HN parsed_1p0l 1 8 1 1 . . . . . . . . . 9 . HN parsed_1p0l 1 8 1 2 . . . . . . . . . 10 . HN parsed_1p0l 1 9 1 1 . . . . . . . . . 10 . HN parsed_1p0l 1 9 1 2 . . . . . . . . . 11 . HN parsed_1p0l 1 10 1 1 . . . . . . . . . 12 . HN parsed_1p0l 1 10 1 2 . . . . . . . . . 11 . HN parsed_1p0l 1 11 1 1 . . . . . . . . . 13 . HN parsed_1p0l 1 11 1 2 . . . . . . . . . 12 . HN parsed_1p0l 1 12 1 1 . . . . . . . . . 14 . HN parsed_1p0l 1 12 1 2 . . . . . . . . . 13 . HN parsed_1p0l 1 13 1 1 . . . . . . . . . 15 . HN parsed_1p0l 1 13 1 2 . . . . . . . . . 14 . HN parsed_1p0l 1 14 1 1 . . . . . . . . . 16 . HN parsed_1p0l 1 14 1 2 . . . . . . . . . 15 . HN parsed_1p0l 1 15 1 1 . . . . . . . . . 17 . HN parsed_1p0l 1 15 1 2 . . . . . . . . . 16 . HN parsed_1p0l 1 16 1 1 . . . . . . . . . 18 . HN parsed_1p0l 1 16 1 2 . . . . . . . . . 17 . HN parsed_1p0l 1 17 1 1 . . . . . . . . . 19 . HN parsed_1p0l 1 17 1 2 . . . . . . . . . 18 . HN parsed_1p0l 1 18 1 1 . . . . . . . . . 3 . HN parsed_1p0l 1 18 1 2 . . . . . . . . . 2 . HA parsed_1p0l 1 19 1 1 . . . . . . . . . 4 . HN parsed_1p0l 1 19 1 2 . . . . . . . . . 3 . HA parsed_1p0l 1 20 1 1 . . . . . . . . . 5 . HN parsed_1p0l 1 20 1 2 . . . . . . . . . 4 . HA parsed_1p0l 1 21 1 1 . . . . . . . . . 6 . HN parsed_1p0l 1 21 1 2 . . . . . . . . . 5 . HA parsed_1p0l 1 22 1 1 . . . . . . . . . 7 . HN parsed_1p0l 1 22 1 2 . . . . . . . . . 6 . HA parsed_1p0l 1 23 1 1 . . . . . . . . . 8 . HN parsed_1p0l 1 23 1 2 . . . . . . . . . 7 . HA parsed_1p0l 1 24 1 1 . . . . . . . . . 9 . HN parsed_1p0l 1 24 1 2 . . . . . . . . . 8 . HA parsed_1p0l 1 25 1 1 . . . . . . . . . 10 . HN parsed_1p0l 1 25 1 2 . . . . . . . . . 9 . HA parsed_1p0l 1 26 1 1 . . . . . . . . . 11 . HN parsed_1p0l 1 26 1 2 . . . . . . . . . 10 . HA parsed_1p0l 1 27 1 1 . . . . . . . . . 12 . HN parsed_1p0l 1 27 1 2 . . . . . . . . . 11 . HA parsed_1p0l 1 28 1 1 . . . . . . . . . 13 . HN parsed_1p0l 1 28 1 2 . . . . . . . . . 12 . HA parsed_1p0l 1 29 1 1 . . . . . . . . . 14 . HN parsed_1p0l 1 29 1 2 . . . . . . . . . 13 . HA parsed_1p0l 1 30 1 1 . . . . . . . . . 15 . HN parsed_1p0l 1 30 1 2 . . . . . . . . . 14 . HA parsed_1p0l 1 31 1 1 . . . . . . . . . 16 . HN parsed_1p0l 1 31 1 2 . . . . . . . . . 15 . HA parsed_1p0l 1 32 1 1 . . . . . . . . . 17 . HN parsed_1p0l 1 32 1 2 . . . . . . . . . 16 . HA parsed_1p0l 1 33 1 1 . . . . . . . . . 18 . HN parsed_1p0l 1 33 1 2 . . . . . . . . . 17 . HA parsed_1p0l 1 34 1 1 . . . . . . . . . 19 . HN parsed_1p0l 1 34 1 2 . . . . . . . . . 18 . HA parsed_1p0l 1 35 1 1 . . . . . . . . . 20 . HN parsed_1p0l 1 35 1 2 . . . . . . . . . 19 . HA parsed_1p0l 1 36 1 1 . . . . . . . . . 4 . HN parsed_1p0l 1 36 1 2 . . . . . . . . . 3 . HB1 parsed_1p0l 1 37 1 1 . . . . . . . . . 4 . HN parsed_1p0l 1 37 1 2 . . . . . . . . . 3 . HB2 parsed_1p0l 1 38 1 1 . . . . . . . . . 4 . HN parsed_1p0l 1 38 1 2 . . . . . . . . . 3 . HD# parsed_1p0l 1 39 1 1 . . . . . . . . . 4 . HN parsed_1p0l 1 39 1 2 . . . . . . . . . 3 . HG# parsed_1p0l 1 40 1 1 . . . . . . . . . 5 . HN parsed_1p0l 1 40 1 2 . . . . . . . . . 4 . HB parsed_1p0l 1 41 1 1 . . . . . . . . . 5 . HN parsed_1p0l 1 41 1 2 . . . . . . . . . 4 . HG1# parsed_1p0l 1 42 1 1 . . . . . . . . . 5 . HN parsed_1p0l 1 42 1 2 . . . . . . . . . 4 . HG2# parsed_1p0l 1 43 1 1 . . . . . . . . . 6 . HN parsed_1p0l 1 43 1 2 . . . . . . . . . 5 . HB1 parsed_1p0l 1 44 1 1 . . . . . . . . . 6 . HN parsed_1p0l 1 44 1 2 . . . . . . . . . 5 . HB2 parsed_1p0l 1 45 1 1 . . . . . . . . . 7 . HN parsed_1p0l 1 45 1 2 . . . . . . . . . 6 . HG# parsed_1p0l 1 46 1 1 . . . . . . . . . 9 . HN parsed_1p0l 1 46 1 2 . . . . . . . . . 8 . HB# parsed_1p0l 1 47 1 1 . . . . . . . . . 9 . HN parsed_1p0l 1 47 1 2 . . . . . . . . . 8 . HG parsed_1p0l 1 48 1 1 . . . . . . . . . 9 . HN parsed_1p0l 1 48 1 2 . . . . . . . . . 8 . HB# parsed_1p0l 1 49 1 1 . . . . . . . . . 9 . HN parsed_1p0l 1 49 1 2 . . . . . . . . . 8 . HD# parsed_1p0l 1 50 1 1 . . . . . . . . . 10 . HN parsed_1p0l 1 50 1 2 . . . . . . . . . 9 . HG# parsed_1p0l 1 51 1 1 . . . . . . . . . 11 . HN parsed_1p0l 1 51 1 2 . . . . . . . . . 10 . HG# parsed_1p0l 1 52 1 1 . . . . . . . . . 13 . HN parsed_1p0l 1 52 1 2 . . . . . . . . . 12 . HB1 parsed_1p0l 1 53 1 1 . . . . . . . . . 13 . HN parsed_1p0l 1 53 1 2 . . . . . . . . . 12 . HB2 parsed_1p0l 1 54 1 1 . . . . . . . . . 17 . HN parsed_1p0l 1 54 1 2 . . . . . . . . . 16 . HB1 parsed_1p0l 1 55 1 1 . . . . . . . . . 5 . HN parsed_1p0l 1 55 1 2 . . . . . . . . . 3 . HA parsed_1p0l 1 56 1 1 . . . . . . . . . 7 . HN parsed_1p0l 1 56 1 2 . . . . . . . . . 5 . HA parsed_1p0l 1 57 1 1 . . . . . . . . . 12 . HN parsed_1p0l 1 57 1 2 . . . . . . . . . 10 . HA parsed_1p0l 1 58 1 1 . . . . . . . . . 14 . HN parsed_1p0l 1 58 1 2 . . . . . . . . . 12 . HA parsed_1p0l 1 59 1 1 . . . . . . . . . 3 . HA parsed_1p0l 1 59 1 2 . . . . . . . . . 5 . HB1 parsed_1p0l 1 60 1 1 . . . . . . . . . 3 . HA parsed_1p0l 1 60 1 2 . . . . . . . . . 5 . HB2 parsed_1p0l 1 61 1 1 . . . . . . . . . 7 . HN parsed_1p0l 1 61 1 2 . . . . . . . . . 4 . HA parsed_1p0l 1 62 1 1 . . . . . . . . . 8 . HN parsed_1p0l 1 62 1 2 . . . . . . . . . 5 . HA parsed_1p0l 1 63 1 1 . . . . . . . . . 9 . HN parsed_1p0l 1 63 1 2 . . . . . . . . . 6 . HA parsed_1p0l 1 64 1 1 . . . . . . . . . 10 . HN parsed_1p0l 1 64 1 2 . . . . . . . . . 7 . HA parsed_1p0l 1 65 1 1 . . . . . . . . . 11 . HN parsed_1p0l 1 65 1 2 . . . . . . . . . 8 . HA parsed_1p0l 1 66 1 1 . . . . . . . . . 12 . HN parsed_1p0l 1 66 1 2 . . . . . . . . . 9 . HA parsed_1p0l 1 67 1 1 . . . . . . . . . 13 . HN parsed_1p0l 1 67 1 2 . . . . . . . . . 10 . HA parsed_1p0l 1 68 1 1 . . . . . . . . . 14 . HN parsed_1p0l 1 68 1 2 . . . . . . . . . 11 . HA parsed_1p0l 1 69 1 1 . . . . . . . . . 15 . HN parsed_1p0l 1 69 1 2 . . . . . . . . . 12 . HA parsed_1p0l 1 70 1 1 . . . . . . . . . 16 . HN parsed_1p0l 1 70 1 2 . . . . . . . . . 13 . HA parsed_1p0l 1 71 1 1 . . . . . . . . . 17 . HN parsed_1p0l 1 71 1 2 . . . . . . . . . 14 . HA parsed_1p0l 1 72 1 1 . . . . . . . . . 18 . HN parsed_1p0l 1 72 1 2 . . . . . . . . . 15 . HA parsed_1p0l 1 73 1 1 . . . . . . . . . 19 . HN parsed_1p0l 1 73 1 2 . . . . . . . . . 16 . HA parsed_1p0l 1 74 1 1 . . . . . . . . . 7 . HN parsed_1p0l 1 74 1 2 . . . . . . . . . 4 . HG1# parsed_1p0l 1 75 1 1 . . . . . . . . . 10 . HN parsed_1p0l 1 75 1 2 . . . . . . . . . 7 . HB1 parsed_1p0l 1 76 1 1 . . . . . . . . . 13 . HN parsed_1p0l 1 76 1 2 . . . . . . . . . 9 . HA parsed_1p0l 1 77 1 1 . . . . . . . . . 11 . HN parsed_1p0l 1 77 1 2 . . . . . . . . . 7 . HB1 parsed_1p0l 1 78 1 1 . . . . . . . . . 5 . HA parsed_1p0l 1 78 1 2 . . . . . . . . . 8 . HB1 parsed_1p0l 1 79 1 1 . . . . . . . . . 6 . HA parsed_1p0l 1 79 1 2 . . . . . . . . . 9 . HB1 parsed_1p0l 1 80 1 1 . . . . . . . . . 6 . HA parsed_1p0l 1 80 1 2 . . . . . . . . . 9 . HB1 parsed_1p0l 1 81 1 1 . . . . . . . . . 6 . HA parsed_1p0l 1 81 1 2 . . . . . . . . . 9 . HG# parsed_1p0l 1 82 1 1 . . . . . . . . . 7 . HA parsed_1p0l 1 82 1 2 . . . . . . . . . 10 . HB1 parsed_1p0l 1 83 1 1 . . . . . . . . . 9 . HA parsed_1p0l 1 83 1 2 . . . . . . . . . 12 . HB1 parsed_1p0l 1 84 1 1 . . . . . . . . . 9 . HA parsed_1p0l 1 84 1 2 . . . . . . . . . 12 . HB2 parsed_1p0l 1 85 1 1 . . . . . . . . . 12 . HA parsed_1p0l 1 85 1 2 . . . . . . . . . 15 . HG12 parsed_1p0l 1 86 1 1 . . . . . . . . . 12 . HA parsed_1p0l 1 86 1 2 . . . . . . . . . 15 . HG2# parsed_1p0l 1 87 1 1 . . . . . . . . . 14 . HA parsed_1p0l 1 87 1 2 . . . . . . . . . 17 . HB# parsed_1p0l 1 88 1 1 . . . . . . . . . 15 . HA parsed_1p0l 1 88 1 2 . . . . . . . . . 18 . HB1 parsed_1p0l 1 89 1 1 . . . . . . . . . 16 . HA parsed_1p0l 1 89 1 2 . . . . . . . . . 19 . HB1 parsed_1p0l 1 90 1 1 . . . . . . . . . 2 . HN parsed_1p0l 1 90 1 2 . . . . . . . . . 2 . HB1 parsed_1p0l 1 91 1 1 . . . . . . . . . 2 . HN parsed_1p0l 1 91 1 2 . . . . . . . . . 2 . HB2 parsed_1p0l 1 92 1 1 . . . . . . . . . 2 . HN parsed_1p0l 1 92 1 2 . . . . . . . . . 2 . HD# parsed_1p0l 1 93 1 1 . . . . . . . . . 2 . HN parsed_1p0l 1 93 1 2 . . . . . . . . . 2 . HG# parsed_1p0l 1 94 1 1 . . . . . . . . . 3 . HN parsed_1p0l 1 94 1 2 . . . . . . . . . 3 . HB1 parsed_1p0l 1 95 1 1 . . . . . . . . . 3 . HN parsed_1p0l 1 95 1 2 . . . . . . . . . 3 . HB2 parsed_1p0l 1 96 1 1 . . . . . . . . . 3 . HN parsed_1p0l 1 96 1 2 . . . . . . . . . 3 . HD# parsed_1p0l 1 97 1 1 . . . . . . . . . 3 . HN parsed_1p0l 1 97 1 2 . . . . . . . . . 3 . HG# parsed_1p0l 1 98 1 1 . . . . . . . . . 4 . HN parsed_1p0l 1 98 1 2 . . . . . . . . . 4 . HB parsed_1p0l 1 99 1 1 . . . . . . . . . 4 . HN parsed_1p0l 1 99 1 2 . . . . . . . . . 4 . HG1# parsed_1p0l 1 100 1 1 . . . . . . . . . 4 . HN parsed_1p0l 1 100 1 2 . . . . . . . . . 4 . HG2# parsed_1p0l 1 101 1 1 . . . . . . . . . 5 . HN parsed_1p0l 1 101 1 2 . . . . . . . . . 5 . HB1 parsed_1p0l 1 102 1 1 . . . . . . . . . 5 . HN parsed_1p0l 1 102 1 2 . . . . . . . . . 5 . HB2 parsed_1p0l 1 103 1 1 . . . . . . . . . 6 . HN parsed_1p0l 1 103 1 2 . . . . . . . . . 6 . HB1 parsed_1p0l 1 104 1 1 . . . . . . . . . 6 . HN parsed_1p0l 1 104 1 2 . . . . . . . . . 6 . HB2 parsed_1p0l 1 105 1 1 . . . . . . . . . 6 . HN parsed_1p0l 1 105 1 2 . . . . . . . . . 6 . HD# parsed_1p0l 1 106 1 1 . . . . . . . . . 6 . HN parsed_1p0l 1 106 1 2 . . . . . . . . . 6 . HG# parsed_1p0l 1 107 1 1 . . . . . . . . . 7 . HN parsed_1p0l 1 107 1 2 . . . . . . . . . 7 . HB1 parsed_1p0l 1 108 1 1 . . . . . . . . . 7 . HN parsed_1p0l 1 108 1 2 . . . . . . . . . 7 . HB2 parsed_1p0l 1 109 1 1 . . . . . . . . . 7 . HN parsed_1p0l 1 109 1 2 . . . . . . . . . 7 . HG# parsed_1p0l 1 110 1 1 . . . . . . . . . 8 . HN parsed_1p0l 1 110 1 2 . . . . . . . . . 8 . HB# parsed_1p0l 1 111 1 1 . . . . . . . . . 8 . HN parsed_1p0l 1 111 1 2 . . . . . . . . . 8 . HG parsed_1p0l 1 112 1 1 . . . . . . . . . 8 . HN parsed_1p0l 1 112 1 2 . . . . . . . . . 8 . HD# parsed_1p0l 1 113 1 1 . . . . . . . . . 9 . HN parsed_1p0l 1 113 1 2 . . . . . . . . . 9 . HB1 parsed_1p0l 1 114 1 1 . . . . . . . . . 9 . HN parsed_1p0l 1 114 1 2 . . . . . . . . . 9 . HB2 parsed_1p0l 1 115 1 1 . . . . . . . . . 9 . HN parsed_1p0l 1 115 1 2 . . . . . . . . . 9 . HG# parsed_1p0l 1 116 1 1 . . . . . . . . . 10 . HN parsed_1p0l 1 116 1 2 . . . . . . . . . 10 . HB1 parsed_1p0l 1 117 1 1 . . . . . . . . . 10 . HN parsed_1p0l 1 117 1 2 . . . . . . . . . 10 . HB2 parsed_1p0l 1 118 1 1 . . . . . . . . . 10 . HN parsed_1p0l 1 118 1 2 . . . . . . . . . 10 . HD# parsed_1p0l 1 119 1 1 . . . . . . . . . 10 . HN parsed_1p0l 1 119 1 2 . . . . . . . . . 10 . HG# parsed_1p0l 1 120 1 1 . . . . . . . . . 11 . HN parsed_1p0l 1 120 1 2 . . . . . . . . . 11 . HB# parsed_1p0l 1 121 1 1 . . . . . . . . . 11 . HN parsed_1p0l 1 121 1 2 . . . . . . . . . 11 . HG parsed_1p0l 1 122 1 1 . . . . . . . . . 11 . HN parsed_1p0l 1 122 1 2 . . . . . . . . . 11 . HD# parsed_1p0l 1 123 1 1 . . . . . . . . . 12 . HN parsed_1p0l 1 123 1 2 . . . . . . . . . 12 . HB1 parsed_1p0l 1 124 1 1 . . . . . . . . . 12 . HN parsed_1p0l 1 124 1 2 . . . . . . . . . 12 . HB2 parsed_1p0l 1 125 1 1 . . . . . . . . . 14 . HN parsed_1p0l 1 125 1 2 . . . . . . . . . 14 . HB1 parsed_1p0l 1 126 1 1 . . . . . . . . . 14 . HN parsed_1p0l 1 126 1 2 . . . . . . . . . 14 . HB2 parsed_1p0l 1 127 1 1 . . . . . . . . . 14 . HN parsed_1p0l 1 127 1 2 . . . . . . . . . 14 . HD# parsed_1p0l 1 128 1 1 . . . . . . . . . 14 . HN parsed_1p0l 1 128 1 2 . . . . . . . . . 14 . HG# parsed_1p0l 1 129 1 1 . . . . . . . . . 15 . HN parsed_1p0l 1 129 1 2 . . . . . . . . . 15 . HB parsed_1p0l 1 130 1 1 . . . . . . . . . 15 . HN parsed_1p0l 1 130 1 2 . . . . . . . . . 15 . HG11 parsed_1p0l 1 131 1 1 . . . . . . . . . 15 . HN parsed_1p0l 1 131 1 2 . . . . . . . . . 15 . HG12 parsed_1p0l 1 132 1 1 . . . . . . . . . 15 . HN parsed_1p0l 1 132 1 2 . . . . . . . . . 15 . HG2# parsed_1p0l 1 133 1 1 . . . . . . . . . 15 . HN parsed_1p0l 1 133 1 2 . . . . . . . . . 15 . HD1# parsed_1p0l 1 134 1 1 . . . . . . . . . 17 . HN parsed_1p0l 1 134 1 2 . . . . . . . . . 17 . HB# parsed_1p0l 1 135 1 1 . . . . . . . . . 18 . HN parsed_1p0l 1 135 1 2 . . . . . . . . . 18 . HB1 parsed_1p0l 1 136 1 1 . . . . . . . . . 18 . HN parsed_1p0l 1 136 1 2 . . . . . . . . . 18 . HB2 parsed_1p0l 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 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 2 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 3 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 4 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 5 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 6 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 7 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 8 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 9 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 10 1 . . . . . 3.0 1.8 3.8 parsed_1p0l 1 11 1 . . . . . 3.0 1.8 3.8 parsed_1p0l 1 12 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 13 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 14 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 15 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 16 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 17 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 18 1 . . . . . 2.5 1.8 2.7 parsed_1p0l 1 19 1 . . . . . 2.5 1.8 2.7 parsed_1p0l 1 20 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 21 1 . . . . . 2.5 1.8 3.2 parsed_1p0l 1 22 1 . . . . . 3.0 1.8 3.8 parsed_1p0l 1 23 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 24 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 25 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 26 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 27 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 28 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 29 1 . . . . . 3.0 1.8 3.8 parsed_1p0l 1 30 1 . . . . . 3.0 1.8 3.8 parsed_1p0l 1 31 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 32 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 33 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 34 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 35 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 36 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 37 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 38 1 . . . . . 4.0 1.8 6.5 parsed_1p0l 1 39 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 40 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 41 1 . . . . . 3.0 1.8 4.8 parsed_1p0l 1 42 1 . . . . . 3.0 1.8 4.8 parsed_1p0l 1 43 1 . . . . . 4.0 1.8 5.5 parsed_1p0l 1 44 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 45 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 46 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 47 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 48 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 49 1 . . . . . 4.0 1.8 7.0 parsed_1p0l 1 50 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 51 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 52 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 53 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 54 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 55 1 . . . . . 4.0 1.8 5.5 parsed_1p0l 1 56 1 . . . . . 4.0 1.8 5.5 parsed_1p0l 1 57 1 . . . . . 4.0 1.8 5.5 parsed_1p0l 1 58 1 . . . . . 4.0 1.8 5.5 parsed_1p0l 1 59 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 60 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 61 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 62 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 63 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 64 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 65 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 66 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 67 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 68 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 69 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 70 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 71 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 72 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 73 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 74 1 . . . . . 4.0 1.8 7.0 parsed_1p0l 1 75 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 76 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 77 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 78 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 79 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 80 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 81 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 82 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 83 1 . . . . . 4.0 1.8 5.5 parsed_1p0l 1 84 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 85 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 86 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 87 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 88 1 . . . . . 4.0 1.8 5.5 parsed_1p0l 1 89 1 . . . . . 4.0 1.8 5.5 parsed_1p0l 1 90 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 91 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 92 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 93 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 94 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 95 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 96 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 97 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 98 1 . . . . . 2.5 1.8 3.2 parsed_1p0l 1 99 1 . . . . . 2.5 1.8 4.7 parsed_1p0l 1 100 1 . . . . . 2.5 1.8 4.7 parsed_1p0l 1 101 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 102 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 103 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 104 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 105 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 106 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 107 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 108 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 109 1 . . . . . 3.0 1.8 4.3 parsed_1p0l 1 110 1 . . . . . 3.0 1.8 4.3 parsed_1p0l 1 111 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 112 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 113 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 114 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 115 1 . . . . . 2.5 1.8 3.7 parsed_1p0l 1 116 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 117 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 118 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 119 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 120 1 . . . . . 3.0 1.8 4.3 parsed_1p0l 1 121 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 122 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 123 1 . . . . . 2.5 1.8 3.2 parsed_1p0l 1 124 1 . . . . . 2.5 1.8 3.2 parsed_1p0l 1 125 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 126 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 127 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 128 1 . . . . . 4.0 1.8 6.0 parsed_1p0l 1 129 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 130 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 131 1 . . . . . 3.0 1.8 3.3 parsed_1p0l 1 132 1 . . . . . 3.0 1.8 4.3 parsed_1p0l 1 133 1 . . . . . 3.0 1.8 4.3 parsed_1p0l 1 134 1 . . . . . 2.5 1.8 3.7 parsed_1p0l 1 135 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 1 136 1 . . . . . 4.0 1.8 5.0 parsed_1p0l 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 ; HP(anal3) IN 150mM SDS ---------- Created by Kwanghwan Lee (01/9/02) ---------- S:1.8-2.7(2.5) ; M:1.8-3.3(3.0) ; W:1.8-5.0(4.0) add pseudoatom correction(m=1.0,r=2.0,+=0.5) NH(i)-NH(i+1) NOE ; 1 1 5 20 parsed_1p0l 1 2 M 6 77 6 79 parsed_1p0l 1 3 W 7 77 7 79 parsed_1p0l 1 4 W 8 77 8 79 parsed_1p0l 1 5 W 9 77 9 79 parsed_1p0l 1 6 W 10 77 10 79 parsed_1p0l 1 7 W 11 77 11 79 parsed_1p0l 1 8 M 12 77 12 79 parsed_1p0l 1 9 M 13 77 13 79 parsed_1p0l 1 10 W 14 77 14 79 parsed_1p0l 1 11 M+ 15 77 15 80 parsed_1p0l 1 12 M+ 16 77 16 80 parsed_1p0l 1 13 M 17 77 17 79 parsed_1p0l 1 14 M 18 77 18 79 parsed_1p0l 1 15 M 19 77 19 79 parsed_1p0l 1 16 M 20 77 20 79 parsed_1p0l 1 17 W 21 77 21 79 parsed_1p0l 1 18 ; M CaH(i)-NH(i+1) NOE ; 22 77 23 21 parsed_1p0l 1 19 S 24 77 24 79 parsed_1p0l 1 20 S 25 77 25 79 parsed_1p0l 1 21 W 26 77 26 79 parsed_1p0l 1 22 S+ 27 77 27 80 parsed_1p0l 1 23 M+ 28 77 28 80 parsed_1p0l 1 24 W 29 77 29 79 parsed_1p0l 1 25 W 30 77 30 79 parsed_1p0l 1 26 W 31 77 31 79 parsed_1p0l 1 27 W 32 77 32 79 parsed_1p0l 1 28 W 33 77 33 79 parsed_1p0l 1 29 W 34 77 34 79 parsed_1p0l 1 30 M+ 35 77 35 80 parsed_1p0l 1 31 M+ 36 77 36 80 parsed_1p0l 1 32 W 37 77 37 80 parsed_1p0l 1 33 W 38 77 38 79 parsed_1p0l 1 34 W 39 77 39 79 parsed_1p0l 1 35 W 40 77 40 79 parsed_1p0l 1 36 ; W CbgdH(i)-NH(i+1) NOE ; 41 77 42 23 parsed_1p0l 1 37 W 43 77 43 80 parsed_1p0l 1 38 W 44 77 44 80 parsed_1p0l 1 39 Wm+ 45 77 45 82 parsed_1p0l 1 40 Wm 46 77 46 80 parsed_1p0l 1 41 W 47 77 47 79 parsed_1p0l 1 42 Mm+ 48 77 48 81 parsed_1p0l 1 43 Mm+ 49 77 49 81 parsed_1p0l 1 44 W+ 50 77 50 80 parsed_1p0l 1 45 W 51 77 51 79 parsed_1p0l 1 46 Wm 52 77 52 80 parsed_1p0l 1 47 Wm 53 77 53 80 parsed_1p0l 1 48 W 54 77 54 79 parsed_1p0l 1 49 Wm 55 77 55 80 parsed_1p0l 1 50 Wr 56 77 56 80 parsed_1p0l 1 51 Wm 57 77 57 80 parsed_1p0l 1 52 Wm 58 77 58 80 parsed_1p0l 1 53 W 59 77 59 79 parsed_1p0l 1 54 W 60 77 60 79 parsed_1p0l 1 55 ; W (i)-(i+2) NOE ; 61 77 62 16 parsed_1p0l 1 56 W+ 63 77 63 80 parsed_1p0l 1 57 W+ 64 77 64 80 parsed_1p0l 1 58 W+ 65 77 65 80 parsed_1p0l 1 59 W+ 66 77 68 2 parsed_1p0l 1 60 M 69 77 69 79 parsed_1p0l 1 61 ; M (i)-(i+3) NOE assign (resid 6 and name HN )(resid 3 and name HA ) 4.0 2.2 1.0 !W(OL) ; 70 77 72 84 parsed_1p0l 1 62 M 73 77 73 79 parsed_1p0l 1 63 M(OL) 74 77 74 83 parsed_1p0l 1 64 M(OL) 75 77 75 83 parsed_1p0l 1 65 M 76 77 76 79 parsed_1p0l 1 66 M(OL) 77 77 77 83 parsed_1p0l 1 67 M 78 77 78 79 parsed_1p0l 1 68 M(OL) 79 77 79 83 parsed_1p0l 1 69 M(OL) 80 77 80 83 parsed_1p0l 1 70 M 81 77 81 79 parsed_1p0l 1 71 M 82 77 82 79 parsed_1p0l 1 72 M% 83 77 83 80 parsed_1p0l 1 73 M% 84 77 84 80 parsed_1p0l 1 74 M 85 77 86 2 parsed_1p0l 1 75 Wr 87 77 87 80 parsed_1p0l 1 76 ; W (i)-(i+4) NOE ; 88 77 89 16 parsed_1p0l 1 77 W 90 77 90 79 parsed_1p0l 1 78 ; W CaH(i)-CbH(i+3) ; 91 77 92 18 parsed_1p0l 1 79 W 93 77 93 79 parsed_1p0l 1 80 W 94 77 94 79 parsed_1p0l 1 81 W 95 77 95 79 parsed_1p0l 1 82 Wm 96 77 96 80 parsed_1p0l 1 83 W 97 77 97 79 parsed_1p0l 1 84 W+ 98 77 98 80 parsed_1p0l 1 85 W 99 77 99 79 parsed_1p0l 1 86 W 100 77 100 79 parsed_1p0l 1 87 Wm 101 77 101 80 parsed_1p0l 1 88 Wm 102 77 102 80 parsed_1p0l 1 89 W+ 103 77 103 80 parsed_1p0l 1 90 ; W+ intra ; 104 77 105 7 parsed_1p0l 1 91 M 106 77 106 79 parsed_1p0l 1 92 W 107 77 107 79 parsed_1p0l 1 93 Wm 108 77 108 80 parsed_1p0l 1 94 Wm 109 77 109 80 parsed_1p0l 1 95 M 110 77 110 79 parsed_1p0l 1 96 W 111 77 111 79 parsed_1p0l 1 97 Wm 112 77 112 80 parsed_1p0l 1 98 Wm 113 77 113 80 parsed_1p0l 1 99 S+ 114 77 114 80 parsed_1p0l 1 100 Sr 115 77 115 80 parsed_1p0l 1 101 Sr 116 77 116 80 parsed_1p0l 1 102 M 117 77 117 79 parsed_1p0l 1 103 M 118 77 118 79 parsed_1p0l 1 104 M 119 77 119 79 parsed_1p0l 1 105 M 120 77 120 79 parsed_1p0l 1 106 Wm 121 77 121 80 parsed_1p0l 1 107 Wm 122 77 122 80 parsed_1p0l 1 108 W 123 77 123 79 parsed_1p0l 1 109 W 124 77 124 79 parsed_1p0l 1 110 Mm 125 77 125 80 parsed_1p0l 1 111 Mm 126 77 126 80 parsed_1p0l 1 112 W 127 77 127 79 parsed_1p0l 1 113 Wm 128 77 128 80 parsed_1p0l 1 114 W 129 77 129 79 parsed_1p0l 1 115 W 130 77 130 79 parsed_1p0l 1 116 Sm 131 77 131 80 parsed_1p0l 1 117 W 132 77 132 79 parsed_1p0l 1 118 W 133 77 133 79 parsed_1p0l 1 119 Wm 134 77 134 80 parsed_1p0l 1 120 Wm 135 77 135 80 parsed_1p0l 1 121 Mm 136 77 136 80 parsed_1p0l 1 122 W 137 77 137 79 parsed_1p0l 1 123 Wm 138 77 138 80 parsed_1p0l 1 124 S+ 139 77 139 80 parsed_1p0l 1 125 S+ 140 77 140 80 parsed_1p0l 1 126 W 141 77 141 79 parsed_1p0l 1 127 W 142 77 142 79 parsed_1p0l 1 128 Wm 143 77 143 80 parsed_1p0l 1 129 Wm 144 77 144 80 parsed_1p0l 1 130 M 145 77 145 79 parsed_1p0l 1 131 M 146 77 146 79 parsed_1p0l 1 132 M 147 77 147 79 parsed_1p0l 1 133 Mm 148 77 148 80 parsed_1p0l 1 134 Mm 149 77 149 80 parsed_1p0l 1 135 Sm 150 77 150 80 parsed_1p0l 1 136 W 151 77 151 79 parsed_1p0l 1 137 W 152 77 152 79 parsed_1p0l 1 stop_ save_ save_MR_file_comment_4 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1p0l _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 4 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; set message=on echo=on end set message=off echo=off end restraints dihedral reset ; save_ save_CNS/XPLOR_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1p0l _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 5 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1p0l 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -40.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1p0l 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1p0l 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1p0l 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1p0l 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1p0l 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -30.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1p0l 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -30.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1p0l 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1p0l 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1p0l 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1p0l 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1p0l 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1p0l 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1p0l 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1p0l 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 ; HP IN SDS ! !Phi ! 2 ; 1 1 4 10 parsed_1p0l 1 2 "! 4" 7 3 7 10 parsed_1p0l 1 3 "! 6" 10 3 10 10 parsed_1p0l 1 4 "! 7" 13 3 13 10 parsed_1p0l 1 5 "! 8" 16 3 16 10 parsed_1p0l 1 6 "! 9" 19 3 19 10 parsed_1p0l 1 7 "! 10" 22 3 22 11 parsed_1p0l 1 8 "! 11" 25 3 25 11 parsed_1p0l 1 9 "! 12" 28 3 28 12 parsed_1p0l 1 10 "! 13" 31 3 31 12 parsed_1p0l 1 11 "! 14" 34 3 34 12 parsed_1p0l 1 12 "! 15" 37 3 37 12 parsed_1p0l 1 13 "! 17" 40 3 40 12 parsed_1p0l 1 14 "! 18" 43 3 43 12 parsed_1p0l 1 15 "! 19" 46 3 46 12 parsed_1p0l 1 stop_ save_ save_MR_file_comment_6 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1p0l _Org_constr_file_comment.ID 4 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 6 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; end set message=on echo=on end ; save_
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