NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
38404 |
1rg4   |
6040 | cing | 2-parsed | STAR | entry | full | 188 |
data_1rg4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1rg4
_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_1rg4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1rg4
_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 1rg4 "Master copy" parsed_1rg4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1rg4
_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 1rg4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1rg4 1
1 1rg4.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1rg4 1
1 1rg4.mr . . XPLOR/CNS 3 distance NOE simple 127 parsed_1rg4 1
1 1rg4.mr . . XPLOR/CNS 4 distance NOE ambi 26 parsed_1rg4 1
1 1rg4.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 21 parsed_1rg4 1
1 1rg4.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 14 parsed_1rg4 1
1 1rg4.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1rg4 1
1 1rg4.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1rg4 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_1rg4
_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 SURFACE ACTIVE PROTEIN 11-NOV-03 1RG4
*TITLE SP-B C-TERMINAL PEPTIDE IN ORGANIC SOLVENT (HFIP)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: PULMONARY SURFACTANT-ASSOCIATED PROTEIN B;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: C-TERMINAL HELIX;
*COMPND 5 SYNONYM: SP-B, 6 KDA PROTEIN, PULMONARY SURFACTANT-
*COMPND 6 ASSOCIATED PROTEOLIPID SPLPHE, 18 KDA PULMONARY-SURFACTANT
*COMPND 7 PROTEIN;
*COMPND 8 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS SYNTHESIZED WITH N15
*SOURCE 4 ISOTOPE LABELS ON ALL VALINE AND LEUCINE RESIDUES. THE
*SOURCE 5 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HOMO SAPIENS
*SOURCE 6 (HUMAN).
*KEYWDS LUNG, SURFACTANT, SP-B
*EXPDTA NMR, 10 STRUCTURES
*AUTHOR V.BOOTH, A.J.WARING, F.J.WALTHER, K.M.W.KEOUGH
*REVDAT 1 28-SEP-04 1RG4 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1rg4
_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
;
--------------------------------------
hfip_constraints.tblht??0???0?mBIN???=! NOE derived distance restraints
! Sequential
;
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rg4
_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_1rg4 1
2 1 . . . parsed_1rg4 1
3 1 . . . parsed_1rg4 1
4 1 . . . parsed_1rg4 1
5 1 . . . parsed_1rg4 1
6 1 . . . parsed_1rg4 1
7 1 . . . parsed_1rg4 1
8 1 . . . parsed_1rg4 1
9 1 . . . parsed_1rg4 1
10 1 . . . parsed_1rg4 1
11 1 . . . parsed_1rg4 1
12 1 . . . parsed_1rg4 1
13 1 . . . parsed_1rg4 1
14 1 . . . parsed_1rg4 1
15 1 . . . parsed_1rg4 1
16 1 . . . parsed_1rg4 1
17 1 . . . parsed_1rg4 1
18 1 . . . parsed_1rg4 1
19 1 . . . parsed_1rg4 1
20 1 . . . parsed_1rg4 1
21 1 . . . parsed_1rg4 1
22 1 . . . parsed_1rg4 1
23 1 . . . parsed_1rg4 1
24 1 . . . parsed_1rg4 1
25 1 . . . parsed_1rg4 1
26 1 . . . parsed_1rg4 1
27 1 . . . parsed_1rg4 1
28 1 . . . parsed_1rg4 1
29 1 . . . parsed_1rg4 1
30 1 . . . parsed_1rg4 1
31 1 . . . parsed_1rg4 1
32 1 . . . parsed_1rg4 1
33 1 . . . parsed_1rg4 1
34 1 . . . parsed_1rg4 1
35 1 . . . parsed_1rg4 1
36 1 . . . parsed_1rg4 1
37 1 . . . parsed_1rg4 1
38 1 . . . parsed_1rg4 1
39 1 . . . parsed_1rg4 1
40 1 . . . parsed_1rg4 1
41 1 . . . parsed_1rg4 1
42 1 . . . parsed_1rg4 1
43 1 . . . parsed_1rg4 1
44 1 . . . parsed_1rg4 1
45 1 . . . parsed_1rg4 1
46 1 . . . parsed_1rg4 1
47 1 . . . parsed_1rg4 1
48 1 . . . parsed_1rg4 1
49 1 . . . parsed_1rg4 1
50 1 . . . parsed_1rg4 1
51 1 . . . parsed_1rg4 1
52 1 . . . parsed_1rg4 1
53 1 . . . parsed_1rg4 1
54 1 . . . parsed_1rg4 1
55 1 . . . parsed_1rg4 1
56 1 . . . parsed_1rg4 1
57 1 . . . parsed_1rg4 1
58 1 . . . parsed_1rg4 1
59 1 . . . parsed_1rg4 1
60 1 . . . parsed_1rg4 1
61 1 . . . parsed_1rg4 1
62 1 . . . parsed_1rg4 1
63 1 . . . parsed_1rg4 1
64 1 . . . parsed_1rg4 1
65 1 . . . parsed_1rg4 1
66 1 . . . parsed_1rg4 1
67 1 . . . parsed_1rg4 1
68 1 . . . parsed_1rg4 1
69 1 . . . parsed_1rg4 1
70 1 . . . parsed_1rg4 1
71 1 . . . parsed_1rg4 1
72 1 . . . parsed_1rg4 1
73 1 . . . parsed_1rg4 1
74 1 . . . parsed_1rg4 1
75 1 . . . parsed_1rg4 1
76 1 . . . parsed_1rg4 1
77 1 . . . parsed_1rg4 1
78 1 . . . parsed_1rg4 1
79 1 . . . parsed_1rg4 1
80 1 . . . parsed_1rg4 1
81 1 . . . parsed_1rg4 1
82 1 . . . parsed_1rg4 1
83 1 . . . parsed_1rg4 1
84 1 . . . parsed_1rg4 1
85 1 . . . parsed_1rg4 1
86 1 . . . parsed_1rg4 1
87 1 . . . parsed_1rg4 1
88 1 . . . parsed_1rg4 1
89 1 . . . parsed_1rg4 1
90 1 . . . parsed_1rg4 1
91 1 . . . parsed_1rg4 1
92 1 . . . parsed_1rg4 1
93 1 . . . parsed_1rg4 1
94 1 . . . parsed_1rg4 1
95 1 . . . parsed_1rg4 1
96 1 . . . parsed_1rg4 1
97 1 . . . parsed_1rg4 1
98 1 . . . parsed_1rg4 1
99 1 . . . parsed_1rg4 1
100 1 . . . parsed_1rg4 1
101 1 . . . parsed_1rg4 1
102 1 . . . parsed_1rg4 1
103 1 . . . parsed_1rg4 1
104 1 . . . parsed_1rg4 1
105 1 . . . parsed_1rg4 1
106 1 . . . parsed_1rg4 1
107 1 . . . parsed_1rg4 1
108 1 . . . parsed_1rg4 1
109 1 . . . parsed_1rg4 1
110 1 . . . parsed_1rg4 1
111 1 . . . parsed_1rg4 1
112 1 . . . parsed_1rg4 1
113 1 . . . parsed_1rg4 1
114 1 . . . parsed_1rg4 1
115 1 . . . parsed_1rg4 1
116 1 . . . parsed_1rg4 1
117 1 . . . parsed_1rg4 1
118 1 . . . parsed_1rg4 1
119 1 . . . parsed_1rg4 1
120 1 . . . parsed_1rg4 1
121 1 . . . parsed_1rg4 1
122 1 . . . parsed_1rg4 1
123 1 . . . parsed_1rg4 1
124 1 . . . parsed_1rg4 1
125 1 . . . parsed_1rg4 1
126 1 . . . parsed_1rg4 1
127 1 . . . parsed_1rg4 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 1 . HA# parsed_1rg4 1
1 1 2 . . . . . . . . . 2 . HN parsed_1rg4 1
2 1 1 . . . . . . . . . 2 . HN parsed_1rg4 1
2 1 2 . . . . . . . . . 3 . HN parsed_1rg4 1
3 1 1 . . . . . . . . . 2 . HG# parsed_1rg4 1
3 1 2 . . . . . . . . . 3 . HN parsed_1rg4 1
4 1 1 . . . . . . . . . 2 . HA parsed_1rg4 1
4 1 2 . . . . . . . . . 3 . HN parsed_1rg4 1
5 1 1 . . . . . . . . . 2 . HB# parsed_1rg4 1
5 1 2 . . . . . . . . . 3 . HN parsed_1rg4 1
6 1 1 . . . . . . . . . 2 . HA parsed_1rg4 1
6 1 2 . . . . . . . . . 3 . HB# parsed_1rg4 1
7 1 1 . . . . . . . . . 2 . HA parsed_1rg4 1
7 1 2 . . . . . . . . . 3 . HG# parsed_1rg4 1
8 1 1 . . . . . . . . . 2 . HD# parsed_1rg4 1
8 1 2 . . . . . . . . . 3 . HN parsed_1rg4 1
9 1 1 . . . . . . . . . 3 . HA parsed_1rg4 1
9 1 2 . . . . . . . . . 4 . HN parsed_1rg4 1
10 1 1 . . . . . . . . . 3 . HN parsed_1rg4 1
10 1 2 . . . . . . . . . 4 . HN parsed_1rg4 1
11 1 1 . . . . . . . . . 3 . HG# parsed_1rg4 1
11 1 2 . . . . . . . . . 4 . HD1# parsed_1rg4 1
12 1 1 . . . . . . . . . 3 . HG# parsed_1rg4 1
12 1 2 . . . . . . . . . 4 . HA parsed_1rg4 1
13 1 1 . . . . . . . . . 3 . HG# parsed_1rg4 1
13 1 2 . . . . . . . . . 4 . HN parsed_1rg4 1
14 1 1 . . . . . . . . . 3 . HB# parsed_1rg4 1
14 1 2 . . . . . . . . . 4 . HN parsed_1rg4 1
15 1 1 . . . . . . . . . 3 . HA parsed_1rg4 1
15 1 2 . . . . . . . . . 4 . HB2 parsed_1rg4 1
16 1 1 . . . . . . . . . 3 . HA parsed_1rg4 1
16 1 2 . . . . . . . . . 4 . HB1 parsed_1rg4 1
17 1 1 . . . . . . . . . 3 . HB# parsed_1rg4 1
17 1 2 . . . . . . . . . 4 . HD1# parsed_1rg4 1
18 1 1 . . . . . . . . . 3 . HN parsed_1rg4 1
18 1 2 . . . . . . . . . 4 . HD1# parsed_1rg4 1
19 1 1 . . . . . . . . . 3 . HA parsed_1rg4 1
19 1 2 . . . . . . . . . 4 . HG parsed_1rg4 1
20 1 1 . . . . . . . . . 3 . HA parsed_1rg4 1
20 1 2 . . . . . . . . . 4 . HD1# parsed_1rg4 1
21 1 1 . . . . . . . . . 4 . HG parsed_1rg4 1
21 1 2 . . . . . . . . . 5 . HD2 parsed_1rg4 1
22 1 1 . . . . . . . . . 4 . HN parsed_1rg4 1
22 1 2 . . . . . . . . . 5 . HD1 parsed_1rg4 1
23 1 1 . . . . . . . . . 4 . HN parsed_1rg4 1
23 1 2 . . . . . . . . . 5 . HD2 parsed_1rg4 1
24 1 1 . . . . . . . . . 4 . HB1 parsed_1rg4 1
24 1 2 . . . . . . . . . 5 . HD1 parsed_1rg4 1
25 1 1 . . . . . . . . . 4 . HD1# parsed_1rg4 1
25 1 2 . . . . . . . . . 5 . HB# parsed_1rg4 1
26 1 1 . . . . . . . . . 4 . HD1# parsed_1rg4 1
26 1 2 . . . . . . . . . 5 . HD2 parsed_1rg4 1
27 1 1 . . . . . . . . . 4 . HB2 parsed_1rg4 1
27 1 2 . . . . . . . . . 5 . HD2 parsed_1rg4 1
28 1 1 . . . . . . . . . 4 . HB2 parsed_1rg4 1
28 1 2 . . . . . . . . . 5 . HD1 parsed_1rg4 1
29 1 1 . . . . . . . . . 4 . HG parsed_1rg4 1
29 1 2 . . . . . . . . . 5 . HD1 parsed_1rg4 1
30 1 1 . . . . . . . . . 4 . HB1 parsed_1rg4 1
30 1 2 . . . . . . . . . 5 . HD2 parsed_1rg4 1
31 1 1 . . . . . . . . . 4 . HA parsed_1rg4 1
31 1 2 . . . . . . . . . 5 . HD2 parsed_1rg4 1
32 1 1 . . . . . . . . . 4 . HA parsed_1rg4 1
32 1 2 . . . . . . . . . 5 . HD1 parsed_1rg4 1
33 1 1 . . . . . . . . . 4 . HB2 parsed_1rg4 1
33 1 2 . . . . . . . . . 5 . HB# parsed_1rg4 1
34 1 1 . . . . . . . . . 4 . HA parsed_1rg4 1
34 1 2 . . . . . . . . . 5 . HG# parsed_1rg4 1
35 1 1 . . . . . . . . . 4 . HN parsed_1rg4 1
35 1 2 . . . . . . . . . 5 . HG# parsed_1rg4 1
36 1 1 . . . . . . . . . 5 . HB# parsed_1rg4 1
36 1 2 . . . . . . . . . 6 . HA parsed_1rg4 1
37 1 1 . . . . . . . . . 5 . HD2 parsed_1rg4 1
37 1 2 . . . . . . . . . 6 . HN parsed_1rg4 1
38 1 1 . . . . . . . . . 5 . HA parsed_1rg4 1
38 1 2 . . . . . . . . . 6 . HN parsed_1rg4 1
39 1 1 . . . . . . . . . 5 . HD1 parsed_1rg4 1
39 1 2 . . . . . . . . . 6 . HN parsed_1rg4 1
40 1 1 . . . . . . . . . 5 . HD2 parsed_1rg4 1
40 1 2 . . . . . . . . . 6 . HN parsed_1rg4 1
41 1 1 . . . . . . . . . 5 . HB# parsed_1rg4 1
41 1 2 . . . . . . . . . 6 . HN parsed_1rg4 1
42 1 1 . . . . . . . . . 5 . HG# parsed_1rg4 1
42 1 2 . . . . . . . . . 6 . HN parsed_1rg4 1
43 1 1 . . . . . . . . . 5 . HA parsed_1rg4 1
43 1 2 . . . . . . . . . 6 . HG# parsed_1rg4 1
44 1 1 . . . . . . . . . 6 . HB# parsed_1rg4 1
44 1 2 . . . . . . . . . 7 . HN parsed_1rg4 1
45 1 1 . . . . . . . . . 6 . HA parsed_1rg4 1
45 1 2 . . . . . . . . . 7 . HN parsed_1rg4 1
46 1 1 . . . . . . . . . 6 . HG# parsed_1rg4 1
46 1 2 . . . . . . . . . 7 . HN parsed_1rg4 1
47 1 1 . . . . . . . . . 6 . HN parsed_1rg4 1
47 1 2 . . . . . . . . . 7 . HN parsed_1rg4 1
48 1 1 . . . . . . . . . 7 . HN parsed_1rg4 1
48 1 2 . . . . . . . . . 8 . HG## parsed_1rg4 1
49 1 1 . . . . . . . . . 7 . HA parsed_1rg4 1
49 1 2 . . . . . . . . . 8 . HN parsed_1rg4 1
50 1 1 . . . . . . . . . 7 . HB# parsed_1rg4 1
50 1 2 . . . . . . . . . 8 . HA parsed_1rg4 1
51 1 1 . . . . . . . . . 7 . HG parsed_1rg4 1
51 1 2 . . . . . . . . . 8 . HA parsed_1rg4 1
52 1 1 . . . . . . . . . 7 . HN parsed_1rg4 1
52 1 2 . . . . . . . . . 8 . HA parsed_1rg4 1
53 1 1 . . . . . . . . . 7 . HB# parsed_1rg4 1
53 1 2 . . . . . . . . . 8 . HN parsed_1rg4 1
54 1 1 . . . . . . . . . 7 . HG parsed_1rg4 1
54 1 2 . . . . . . . . . 8 . HN parsed_1rg4 1
55 1 1 . . . . . . . . . 7 . HN parsed_1rg4 1
55 1 2 . . . . . . . . . 8 . HB parsed_1rg4 1
56 1 1 . . . . . . . . . 8 . HN parsed_1rg4 1
56 1 2 . . . . . . . . . 9 . HB# parsed_1rg4 1
57 1 1 . . . . . . . . . 8 . HN parsed_1rg4 1
57 1 2 . . . . . . . . . 9 . HN parsed_1rg4 1
58 1 1 . . . . . . . . . 8 . HB parsed_1rg4 1
58 1 2 . . . . . . . . . 9 . HN parsed_1rg4 1
59 1 1 . . . . . . . . . 9 . HA parsed_1rg4 1
59 1 2 . . . . . . . . . 10 . HN parsed_1rg4 1
60 1 1 . . . . . . . . . 9 . HN parsed_1rg4 1
60 1 2 . . . . . . . . . 10 . HN parsed_1rg4 1
61 1 1 . . . . . . . . . 9 . HB# parsed_1rg4 1
61 1 2 . . . . . . . . . 10 . HN parsed_1rg4 1
62 1 1 . . . . . . . . . 10 . HN parsed_1rg4 1
62 1 2 . . . . . . . . . 11 . HN parsed_1rg4 1
63 1 1 . . . . . . . . . 10 . HD# parsed_1rg4 1
63 1 2 . . . . . . . . . 11 . HD## parsed_1rg4 1
64 1 1 . . . . . . . . . 11 . HB# parsed_1rg4 1
64 1 2 . . . . . . . . . 12 . HN parsed_1rg4 1
65 1 1 . . . . . . . . . 11 . HN parsed_1rg4 1
65 1 2 . . . . . . . . . 12 . HN parsed_1rg4 1
66 1 1 . . . . . . . . . 11 . HG parsed_1rg4 1
66 1 2 . . . . . . . . . 12 . HN parsed_1rg4 1
67 1 1 . . . . . . . . . 11 . HG parsed_1rg4 1
67 1 2 . . . . . . . . . 12 . HA parsed_1rg4 1
68 1 1 . . . . . . . . . 12 . HN parsed_1rg4 1
68 1 2 . . . . . . . . . 13 . HN parsed_1rg4 1
69 1 1 . . . . . . . . . 12 . HA parsed_1rg4 1
69 1 2 . . . . . . . . . 13 . HN parsed_1rg4 1
70 1 1 . . . . . . . . . 13 . HG parsed_1rg4 1
70 1 2 . . . . . . . . . 14 . HN parsed_1rg4 1
71 1 1 . . . . . . . . . 13 . HB# parsed_1rg4 1
71 1 2 . . . . . . . . . 14 . HN parsed_1rg4 1
72 1 1 . . . . . . . . . 14 . HN parsed_1rg4 1
72 1 2 . . . . . . . . . 15 . HB# parsed_1rg4 1
73 1 1 . . . . . . . . . 14 . HA parsed_1rg4 1
73 1 2 . . . . . . . . . 15 . HN parsed_1rg4 1
74 1 1 . . . . . . . . . 14 . HB# parsed_1rg4 1
74 1 2 . . . . . . . . . 15 . HN parsed_1rg4 1
75 1 1 . . . . . . . . . 14 . HG# parsed_1rg4 1
75 1 2 . . . . . . . . . 15 . HN parsed_1rg4 1
76 1 1 . . . . . . . . . 15 . HA parsed_1rg4 1
76 1 2 . . . . . . . . . 16 . HN parsed_1rg4 1
77 1 1 . . . . . . . . . 15 . HN parsed_1rg4 1
77 1 2 . . . . . . . . . 16 . HN parsed_1rg4 1
78 1 1 . . . . . . . . . 15 . HN parsed_1rg4 1
78 1 2 . . . . . . . . . 16 . HA parsed_1rg4 1
79 1 1 . . . . . . . . . 15 . HN parsed_1rg4 1
79 1 2 . . . . . . . . . 16 . HB# parsed_1rg4 1
80 1 1 . . . . . . . . . 1 . HA# parsed_1rg4 1
80 1 2 . . . . . . . . . 3 . HN parsed_1rg4 1
81 1 1 . . . . . . . . . 2 . HG# parsed_1rg4 1
81 1 2 . . . . . . . . . 4 . HN parsed_1rg4 1
82 1 1 . . . . . . . . . 3 . HG# parsed_1rg4 1
82 1 2 . . . . . . . . . 8 . HG## parsed_1rg4 1
83 1 1 . . . . . . . . . 4 . HD1# parsed_1rg4 1
83 1 2 . . . . . . . . . 6 . HA parsed_1rg4 1
84 1 1 . . . . . . . . . 4 . HG parsed_1rg4 1
84 1 2 . . . . . . . . . 6 . HN parsed_1rg4 1
85 1 1 . . . . . . . . . 4 . HB1 parsed_1rg4 1
85 1 2 . . . . . . . . . 6 . HN parsed_1rg4 1
86 1 1 . . . . . . . . . 5 . HD2 parsed_1rg4 1
86 1 2 . . . . . . . . . 8 . HG## parsed_1rg4 1
87 1 1 . . . . . . . . . 5 . HD2 parsed_1rg4 1
87 1 2 . . . . . . . . . 7 . HN parsed_1rg4 1
88 1 1 . . . . . . . . . 5 . HB# parsed_1rg4 1
88 1 2 . . . . . . . . . 8 . HN parsed_1rg4 1
89 1 1 . . . . . . . . . 5 . HA parsed_1rg4 1
89 1 2 . . . . . . . . . 8 . HG## parsed_1rg4 1
90 1 1 . . . . . . . . . 5 . HB# parsed_1rg4 1
90 1 2 . . . . . . . . . 8 . HG## parsed_1rg4 1
91 1 1 . . . . . . . . . 5 . HB# parsed_1rg4 1
91 1 2 . . . . . . . . . 7 . HD## parsed_1rg4 1
92 1 1 . . . . . . . . . 5 . HD1 parsed_1rg4 1
92 1 2 . . . . . . . . . 8 . HG## parsed_1rg4 1
93 1 1 . . . . . . . . . 6 . HA parsed_1rg4 1
93 1 2 . . . . . . . . . 9 . HB# parsed_1rg4 1
94 1 1 . . . . . . . . . 6 . HA parsed_1rg4 1
94 1 2 . . . . . . . . . 9 . HN parsed_1rg4 1
95 1 1 . . . . . . . . . 6 . HA parsed_1rg4 1
95 1 2 . . . . . . . . . 8 . HN parsed_1rg4 1
96 1 1 . . . . . . . . . 7 . HN parsed_1rg4 1
96 1 2 . . . . . . . . . 9 . HN parsed_1rg4 1
97 1 1 . . . . . . . . . 7 . HA parsed_1rg4 1
97 1 2 . . . . . . . . . 10 . HN parsed_1rg4 1
98 1 1 . . . . . . . . . 7 . HB# parsed_1rg4 1
98 1 2 . . . . . . . . . 9 . HN parsed_1rg4 1
99 1 1 . . . . . . . . . 8 . HA parsed_1rg4 1
99 1 2 . . . . . . . . . 11 . HB# parsed_1rg4 1
100 1 1 . . . . . . . . . 8 . HA parsed_1rg4 1
100 1 2 . . . . . . . . . 11 . HG parsed_1rg4 1
101 1 1 . . . . . . . . . 8 . HA parsed_1rg4 1
101 1 2 . . . . . . . . . 12 . HN parsed_1rg4 1
102 1 1 . . . . . . . . . 8 . HA parsed_1rg4 1
102 1 2 . . . . . . . . . 11 . HN parsed_1rg4 1
103 1 1 . . . . . . . . . 8 . HA parsed_1rg4 1
103 1 2 . . . . . . . . . 10 . HN parsed_1rg4 1
104 1 1 . . . . . . . . . 8 . HB parsed_1rg4 1
104 1 2 . . . . . . . . . 10 . HN parsed_1rg4 1
105 1 1 . . . . . . . . . 8 . HG## parsed_1rg4 1
105 1 2 . . . . . . . . . 10 . HN parsed_1rg4 1
106 1 1 . . . . . . . . . 9 . HA parsed_1rg4 1
106 1 2 . . . . . . . . . 12 . HN parsed_1rg4 1
107 1 1 . . . . . . . . . 9 . HB# parsed_1rg4 1
107 1 2 . . . . . . . . . 13 . HD## parsed_1rg4 1
108 1 1 . . . . . . . . . 9 . HA parsed_1rg4 1
108 1 2 . . . . . . . . . 12 . HA parsed_1rg4 1
109 1 1 . . . . . . . . . 9 . HB# parsed_1rg4 1
109 1 2 . . . . . . . . . 11 . HD## parsed_1rg4 1
110 1 1 . . . . . . . . . 9 . HB# parsed_1rg4 1
110 1 2 . . . . . . . . . 12 . HN parsed_1rg4 1
111 1 1 . . . . . . . . . 9 . HA parsed_1rg4 1
111 1 2 . . . . . . . . . 12 . HB parsed_1rg4 1
112 1 1 . . . . . . . . . 10 . HN parsed_1rg4 1
112 1 2 . . . . . . . . . 12 . HN parsed_1rg4 1
113 1 1 . . . . . . . . . 10 . HA parsed_1rg4 1
113 1 2 . . . . . . . . . 13 . HG parsed_1rg4 1
114 1 1 . . . . . . . . . 10 . HN parsed_1rg4 1
114 1 2 . . . . . . . . . 13 . HD## parsed_1rg4 1
115 1 1 . . . . . . . . . 10 . HA parsed_1rg4 1
115 1 2 . . . . . . . . . 15 . HN parsed_1rg4 1
116 1 1 . . . . . . . . . 11 . HN parsed_1rg4 1
116 1 2 . . . . . . . . . 14 . HG# parsed_1rg4 1
117 1 1 . . . . . . . . . 11 . HB# parsed_1rg4 1
117 1 2 . . . . . . . . . 13 . HD## parsed_1rg4 1
118 1 1 . . . . . . . . . 12 . HA parsed_1rg4 1
118 1 2 . . . . . . . . . 14 . HN parsed_1rg4 1
119 1 1 . . . . . . . . . 12 . HA parsed_1rg4 1
119 1 2 . . . . . . . . . 15 . HN parsed_1rg4 1
120 1 1 . . . . . . . . . 12 . HA parsed_1rg4 1
120 1 2 . . . . . . . . . 16 . HN parsed_1rg4 1
121 1 1 . . . . . . . . . 12 . HA parsed_1rg4 1
121 1 2 . . . . . . . . . 14 . HE parsed_1rg4 1
122 1 1 . . . . . . . . . 13 . HA parsed_1rg4 1
122 1 2 . . . . . . . . . 15 . HN parsed_1rg4 1
123 1 1 . . . . . . . . . 13 . HA parsed_1rg4 1
123 1 2 . . . . . . . . . 16 . HN parsed_1rg4 1
124 1 1 . . . . . . . . . 14 . HN parsed_1rg4 1
124 1 2 . . . . . . . . . 16 . HN parsed_1rg4 1
125 1 1 . . . . . . . . . 14 . HN parsed_1rg4 1
125 1 2 . . . . . . . . . 16 . HB# parsed_1rg4 1
126 1 1 . . . . . . . . . 14 . HB# parsed_1rg4 1
126 1 2 . . . . . . . . . 16 . HN parsed_1rg4 1
127 1 1 . . . . . . . . . 14 . HA parsed_1rg4 1
127 1 2 . . . . . . . . . 16 . HN parsed_1rg4 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 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
2 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
3 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
4 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
5 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
6 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
7 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
8 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
9 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
10 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
11 1 . . . . . 5.0 1.8 7.0 parsed_1rg4 1
12 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
13 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
14 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
15 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
16 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
17 1 . . . . . 5.0 1.8 7.0 parsed_1rg4 1
18 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
19 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
20 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
21 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
22 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
23 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
24 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
25 1 . . . . . 5.0 1.8 7.0 parsed_1rg4 1
26 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
27 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
28 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
29 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
30 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
31 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
32 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
33 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
34 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
35 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
36 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
37 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
38 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
39 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
40 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
41 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
42 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
43 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
44 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
45 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
46 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
47 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
48 1 . . . . . 5.0 1.8 8.0 parsed_1rg4 1
49 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
50 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
51 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
52 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
53 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
54 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
55 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
56 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
57 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
58 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
59 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
60 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
61 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
62 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
63 1 . . . . . 5.0 1.8 9.0 parsed_1rg4 1
64 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
65 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
66 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
67 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
68 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
69 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
70 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
71 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
72 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
73 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
74 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
75 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
76 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
77 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
78 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
79 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
80 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
81 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
82 1 . . . . . 5.0 1.8 9.0 parsed_1rg4 1
83 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
84 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
85 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
86 1 . . . . . 5.0 1.8 8.0 parsed_1rg4 1
87 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
88 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
89 1 . . . . . 5.0 1.8 8.0 parsed_1rg4 1
90 1 . . . . . 5.0 1.8 9.0 parsed_1rg4 1
91 1 . . . . . 5.0 1.8 9.0 parsed_1rg4 1
92 1 . . . . . 5.0 1.8 8.0 parsed_1rg4 1
93 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
94 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
95 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
96 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
97 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
98 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
99 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
100 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
101 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
102 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
103 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
104 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
105 1 . . . . . 5.0 1.8 8.0 parsed_1rg4 1
106 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
107 1 . . . . . 5.0 1.8 9.0 parsed_1rg4 1
108 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
109 1 . . . . . 5.0 1.8 9.0 parsed_1rg4 1
110 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
111 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
112 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
113 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
114 1 . . . . . 5.0 1.8 8.0 parsed_1rg4 1
115 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
116 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
117 1 . . . . . 5.0 1.8 9.0 parsed_1rg4 1
118 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
119 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
120 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
121 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
122 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
123 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
124 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 1
125 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
126 1 . . . . . 5.0 1.8 6.0 parsed_1rg4 1
127 1 . . . . . 5.0 1.8 5.0 parsed_1rg4 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 "peak: 447 volume: 0.00 intensity: 8.16 occur:1.0 {?}" 1 72 1 133 parsed_1rg4 1
2 "peak: 74 volume: 0.00 intensity: 0.99 occur:2.0 {?}" 2 72 2 133 parsed_1rg4 1
3 "peak: 90 volume: 0.00 intensity: 0.84 occur:2.0 {?}" 3 72 3 133 parsed_1rg4 1
4 "peak: 94 volume: 0.00 intensity: 4.03 occur:2.0 {?}" 4 72 4 133 parsed_1rg4 1
5 "peak: 95 volume: 0.00 intensity: 0.62 occur:1.0 {?}" 5 72 5 133 parsed_1rg4 1
6 "peak: 106 volume: 0.00 intensity: 0.75 occur:2.0 {?}" 6 72 6 133 parsed_1rg4 1
7 "peak: 110 volume: 0.00 intensity: 0.40 occur:1.0 {?}" 7 72 7 133 parsed_1rg4 1
8 "peak: 451 volume: 0.00 intensity: 0.10 occur:2.0 {?}" 8 72 8 133 parsed_1rg4 1
9 "peak: 49 volume: 0.00 intensity: 4.80 occur:3.0 {?}" 9 72 9 133 parsed_1rg4 1
10 "peak: 54 volume: 0.00 intensity: 0.62 occur:3.0 {?}" 10 72 10 133 parsed_1rg4 1
11 "peak: 109 volume: 0.00 intensity: 0.12 occur:2.0 {?}" 11 72 11 133 parsed_1rg4 1
12 "peak: 111 volume: 0.00 intensity: 0.46 occur:1.0 {?}" 12 72 12 133 parsed_1rg4 1
13 "peak: 113 volume: 0.00 intensity: 0.63 occur:2.0 {?}" 13 72 13 133 parsed_1rg4 1
14 "peak: 114 volume: 0.00 intensity: 1.42 occur:2.0 {?}" 14 72 14 133 parsed_1rg4 1
15 "peak: 119 volume: 0.00 intensity: 0.90 occur:1.0 {?}" 15 72 15 133 parsed_1rg4 1
16 "peak: 120 volume: 0.00 intensity: 0.86 occur:1.0 {?}" 16 72 16 133 parsed_1rg4 1
17 "peak: 131 volume: 0.00 intensity: 0.47 occur:1.0 {?}" 17 72 17 133 parsed_1rg4 1
18 "peak: 141 volume: 0.00 intensity: 0.36 occur:1.0 {?}" 18 72 18 133 parsed_1rg4 1
19 "peak: 374 volume: 0.00 intensity: 0.78 occur:1.0 {?}" 19 72 19 133 parsed_1rg4 1
20 "peak: 462 volume: 0.00 intensity: 0.48 occur:1.0 {?}" 20 72 20 133 parsed_1rg4 1
21 "peak: 46 volume: 0.00 intensity: 0.60 occur:1.0 {?}" 21 72 21 133 parsed_1rg4 1
22 "peak: 63 volume: 0.00 intensity: 0.59 occur:3.0 {?}" 22 72 22 133 parsed_1rg4 1
23 "peak: 64 volume: 0.00 intensity: 0.59 occur:3.0 {?}" 23 72 23 133 parsed_1rg4 1
24 "peak: 123 volume: 0.00 intensity: 0.89 occur:2.0 {?}" 24 72 24 133 parsed_1rg4 1
25 "peak: 132 volume: 0.00 intensity: 0.10 occur:1.0 {?}" 25 72 25 133 parsed_1rg4 1
26 "peak: 136 volume: 0.00 intensity: 0.82 occur:3.0 {?}" 26 72 26 133 parsed_1rg4 1
27 "peak: 148 volume: 0.00 intensity: 1.49 occur:2.0 {?}" 27 72 27 133 parsed_1rg4 1
28 "peak: 149 volume: 0.00 intensity: 0.89 occur:1.0 {?}" 28 72 28 133 parsed_1rg4 1
29 "peak: 150 volume: 0.00 intensity: 0.99 occur:3.0 {?}" 29 72 29 133 parsed_1rg4 1
30 "peak: 153 volume: 0.00 intensity: 0.74 occur:2.0 {?}" 30 72 30 133 parsed_1rg4 1
31 "peak: 156 volume: 0.00 intensity: 1.25 occur:2.0 {?}" 31 72 31 133 parsed_1rg4 1
32 "peak: 157 volume: 0.00 intensity: 0.50 occur:2.0 {?}" 32 72 32 133 parsed_1rg4 1
33 "peak: 163 volume: 0.00 intensity: 0.20 occur:1.0 {?}" 33 72 33 133 parsed_1rg4 1
34 "peak: 170 volume: 0.00 intensity: 1.40 occur:2.0 {?}" 34 72 34 133 parsed_1rg4 1
35 "peak: 456 volume: 0.00 intensity: 0.22 occur:1.0 {?}" 35 72 35 133 parsed_1rg4 1
36 "peak: 18 volume: 0.00 intensity: 0.47 occur:1.0 {?}" 36 72 36 133 parsed_1rg4 1
37 "peak: 42 volume: 0.00 intensity: 0.33 occur:3.0 {?}" 37 72 37 133 parsed_1rg4 1
38 "peak: 143 volume: 0.00 intensity: 1.01 occur:1.0 {?}" 38 72 38 133 parsed_1rg4 1
39 "peak: 158 volume: 0.00 intensity: 0.32 occur:3.0 {?}" 39 72 39 133 parsed_1rg4 1
40 "peak: 159 volume: 0.00 intensity: 0.33 occur:1.0 {?}" 40 72 40 133 parsed_1rg4 1
41 "peak: 168 volume: 0.00 intensity: 0.38 occur:3.0 {?}" 41 72 41 133 parsed_1rg4 1
42 "peak: 171 volume: 0.00 intensity: 1.18 occur:3.0 {?}" 42 72 42 133 parsed_1rg4 1
43 "peak: 197 volume: 0.00 intensity: 0.22 occur:1.0 {?}" 43 72 43 133 parsed_1rg4 1
44 "peak: 4 volume: 0.00 intensity: 1.08 occur:2.0 {?}" 44 72 44 133 parsed_1rg4 1
45 "peak: 78 volume: 0.00 intensity: 0.70 occur:4.0 {?}" 45 72 45 133 parsed_1rg4 1
46 "peak: 218 volume: 0.00 intensity: 0.29 occur:2.0 {?}" 46 72 46 133 parsed_1rg4 1
47 "peak: 222 volume: 0.00 intensity: 0.79 occur:2.0 {?}" 47 72 47 133 parsed_1rg4 1
48 "peak: 5 volume: 0.00 intensity: 0.32 occur:1.0 {?}" 48 72 48 133 parsed_1rg4 1
49 "peak: 79 volume: 0.00 intensity: 1.22 occur:2.0 {?}" 49 72 49 133 parsed_1rg4 1
50 "peak: 124 volume: 0.00 intensity: 0.75 occur:2.0 {?}" 50 72 50 133 parsed_1rg4 1
51 "peak: 125 volume: 0.00 intensity: 0.88 occur:1.0 {?}" 51 72 51 133 parsed_1rg4 1
52 "peak: 219 volume: 0.00 intensity: 0.35 occur:2.0 {?}" 52 72 52 133 parsed_1rg4 1
53 "peak: 236 volume: 0.00 intensity: 1.19 occur:1.0 {?}" 53 72 53 133 parsed_1rg4 1
54 "peak: 237 volume: 0.00 intensity: 0.36 occur:1.0 {?}" 54 72 54 133 parsed_1rg4 1
55 "peak: 244 volume: 0.00 intensity: 0.75 occur:2.0 {?}" 55 72 55 133 parsed_1rg4 1
56 "peak: 231 volume: 0.00 intensity: 0.19 occur:2.0 {?}" 56 72 56 133 parsed_1rg4 1
57 "peak: 238 volume: 0.00 intensity: 1.13 occur:2.0 {?}" 57 72 57 133 parsed_1rg4 1
58 "peak: 249 volume: 0.00 intensity: 2.52 occur:2.0 {?}" 58 72 58 133 parsed_1rg4 1
59 "peak: 80 volume: 0.00 intensity: 1.55 occur:1.0 {?}" 59 72 59 133 parsed_1rg4 1
60 "peak: 81 volume: 0.00 intensity: 0.81 occur:1.0 {?}" 60 72 60 133 parsed_1rg4 1
61 "peak: 268 volume: 0.00 intensity: 0.63 occur:3.0 {?}" 61 72 61 133 parsed_1rg4 1
62 "peak: 281 volume: 0.00 intensity: 1.46 occur:2.0 {?}" 62 72 62 133 parsed_1rg4 1
63 "peak: 401 volume: 0.00 intensity: 0.12 occur:1.0 {?}" 63 72 63 133 parsed_1rg4 1
64 "peak: 285 volume: 0.00 intensity: 0.02 occur:1.1 {?}" 64 72 64 133 parsed_1rg4 1
65 "peak: 300 volume: 0.00 intensity: 0.33 occur:2.0 {?}" 65 72 65 133 parsed_1rg4 1
66 "peak: 382 volume: 0.00 intensity: 0.66 occur:2.0 {?}" 66 72 66 133 parsed_1rg4 1
67 "peak: 388 volume: 0.00 intensity: 0.18 occur:1.0 {?}" 67 72 67 133 parsed_1rg4 1
68 "peak: 299 volume: 0.00 intensity: 0.33 occur:1.0 {?}" 68 72 68 133 parsed_1rg4 1
69 "peak: 301 volume: 0.00 intensity: 0.04 occur:1.0 {?}" 69 72 69 133 parsed_1rg4 1
70 "peak: 314 volume: 0.00 intensity: 0.47 occur:2.0 {?}" 70 72 70 133 parsed_1rg4 1
71 "peak: 315 volume: 0.00 intensity: 0.71 occur:1.0 {?}" 71 72 71 133 parsed_1rg4 1
72 "peak: 320 volume: 0.00 intensity: 0.46 occur:1.0 {?}" 72 72 72 133 parsed_1rg4 1
73 "peak: 330 volume: 0.00 intensity: 0.40 occur:1.0 {?}" 73 72 73 133 parsed_1rg4 1
74 "peak: 334 volume: 0.00 intensity: 0.23 occur:1.0 {?}" 74 72 74 133 parsed_1rg4 1
75 "peak: 335 volume: 0.00 intensity: 0.19 occur:1.0 {?}" 75 72 75 133 parsed_1rg4 1
76 "peak: 85 volume: 0.00 intensity: 0.85 occur:1.0 {?}" 76 72 76 133 parsed_1rg4 1
77 "peak: 86 volume: 0.00 intensity: 1.55 occur:2.0 {?}" 77 72 77 133 parsed_1rg4 1
78 "peak: 329 volume: 0.00 intensity: 1.39 occur:2.0 {?}" 78 72 78 133 parsed_1rg4 1
79
;
peak: 333 volume: 0.00 intensity: 0.89 occur:2.0 {?}
Medium
;
79 72 80 10 parsed_1rg4 1
80 "peak: 41 volume: 0.00 intensity: 0.44 occur:1.0 {?}" 81 72 81 133 parsed_1rg4 1
81 "peak: 115 volume: 0.00 intensity: 1.37 occur:1.0 {?}" 82 72 82 133 parsed_1rg4 1
82 "peak: 393 volume: 0.00 intensity: 0.29 occur:2.0 {?}" 83 72 83 133 parsed_1rg4 1
83 "peak: 137 volume: 0.00 intensity: 0.18 occur:1.0 {?}" 84 72 84 133 parsed_1rg4 1
84 "peak: 470 volume: 0.00 intensity: 0.13 occur:1.0 {?}" 85 72 85 133 parsed_1rg4 1
85 "peak: 471 volume: 0.00 intensity: 0.12 occur:1.0 {?}" 86 72 86 133 parsed_1rg4 1
86 "peak: 48 volume: 0.01 intensity: 0.23 occur:1.0 {not_sure}" 87 72 87 140 parsed_1rg4 1
87 "peak: 220 volume: 0.00 intensity: 0.17 occur:1.0 {?}" 88 72 88 133 parsed_1rg4 1
88 "peak: 235 volume: 0.00 intensity: 0.43 occur:2.0 {?}" 89 72 89 133 parsed_1rg4 1
89 "peak: 464 volume: 0.80 intensity: 0.79 occur:1.0 {not_sure}" 90 72 90 140 parsed_1rg4 1
90 "peak: 466 volume: 0.00 intensity: 0.14 occur:1.0 {?}" 91 72 91 133 parsed_1rg4 1
91 "peak: 468 volume: 0.00 intensity: 0.10 occur:1.0 {?}" 92 72 92 133 parsed_1rg4 1
92 "peak: 469 volume: 0.18 intensity: 0.15 occur:1.0 {not_sure}" 93 72 93 140 parsed_1rg4 1
93 "peak: 17 volume: 0.00 intensity: 1.18 occur:4.0 {?}" 94 72 94 133 parsed_1rg4 1
94 "peak: 23 volume: 0.00 intensity: 0.54 occur:1.0 {?}" 95 72 95 133 parsed_1rg4 1
95 "peak: 229 volume: 0.00 intensity: 0.17 occur:1.0 {?}" 96 72 96 133 parsed_1rg4 1
96 "peak: 7 volume: 0.00 intensity: 0.37 occur:2.0 {?}" 97 72 97 133 parsed_1rg4 1
97 "peak: 265 volume: 0.00 intensity: 0.75 occur:1.0 {?}" 98 72 98 133 parsed_1rg4 1
98 "peak: 479 volume: 0.77 intensity: 0.31 occur:2.0 {not_sure}" 99 72 99 140 parsed_1rg4 1
99 "peak: 240 volume: 0.00 intensity: 0.96 occur:1.0 {?}" 100 72 100 133 parsed_1rg4 1
100 "peak: 242 volume: 0.00 intensity: 0.76 occur:1.0 {?}" 101 72 101 133 parsed_1rg4 1
101 "peak: 243 volume: 0.00 intensity: -0.03 occur:1.0 {?}" 102 72 102 133 parsed_1rg4 1
102 "peak: 398 volume: 0.00 intensity: 1.00 occur:1.0 {?}" 103 72 103 133 parsed_1rg4 1
103 "peak: 404 volume: 0.00 intensity: 0.26 occur:1.0 {?}" 104 72 104 133 parsed_1rg4 1
104 "peak: 405 volume: 0.00 intensity: 0.40 occur:1.0 {?}" 105 72 105 133 parsed_1rg4 1
105 "peak: 410 volume: 0.00 intensity: 0.14 occur:1.0 {?}" 106 72 106 133 parsed_1rg4 1
106 "peak: 82 volume: 0.00 intensity: 0.87 occur:2.0 {?}" 107 72 107 133 parsed_1rg4 1
107 "peak: 134 volume: 0.00 intensity: 0.12 occur:1.1 {?}" 108 72 108 133 parsed_1rg4 1
108 "peak: 256 volume: 0.00 intensity: 0.12 occur:1.0 {?}" 109 72 109 133 parsed_1rg4 1
109 "peak: 264 volume: 0.00 intensity: 0.23 occur:2.0 {?}" 110 72 110 133 parsed_1rg4 1
110 "peak: 297 volume: 0.00 intensity: 0.19 occur:2.0 {?}" 111 72 111 133 parsed_1rg4 1
111 "peak: 307 volume: 0.45 intensity: 1.03 occur:1.0 {}" 112 72 112 132 parsed_1rg4 1
112 "peak: 83 volume: 0.00 intensity: 0.24 occur:1.0 {?}" 113 72 113 133 parsed_1rg4 1
113 "peak: 272 volume: 0.00 intensity: 0.89 occur:2.0 {?}" 114 72 114 133 parsed_1rg4 1
114 "peak: 411 volume: 0.00 intensity: 0.11 occur:1.0 {?}" 115 72 115 133 parsed_1rg4 1
115 "peak: 416 volume: 0.00 intensity: 1.17 occur:1.0 {?}" 116 72 116 133 parsed_1rg4 1
116 "peak: 279 volume: 0.00 intensity: 2.05 occur:1.0 {?}" 117 72 117 133 parsed_1rg4 1
117 "peak: 350 volume: 0.00 intensity: 1.70 occur:1.0 {?}" 118 72 118 133 parsed_1rg4 1
118 "peak: 319 volume: 0.00 intensity: 0.18 occur:1.0 {?}" 119 72 119 133 parsed_1rg4 1
119 "peak: 332 volume: 0.00 intensity: 0.27 occur:1.0 {?}" 120 72 120 133 parsed_1rg4 1
120 "peak: 339 volume: 0.00 intensity: 0.57 occur:1.0 {?}" 121 72 121 133 parsed_1rg4 1
121 "peak: 387 volume: 0.00 intensity: 0.25 occur:1.0 {?}" 122 72 122 133 parsed_1rg4 1
122 "peak: 331 volume: 0.00 intensity: 0.52 occur:1.0 {?}" 123 72 123 133 parsed_1rg4 1
123 "peak: 338 volume: 0.00 intensity: 0.63 occur:1.0 {?}" 124 72 124 133 parsed_1rg4 1
124 "peak: 87 volume: 0.00 intensity: 1.44 occur:1.0 {?}" 125 72 125 133 parsed_1rg4 1
125 "peak: 316 volume: 0.00 intensity: 0.24 occur:1.0 {?}" 126 72 126 133 parsed_1rg4 1
126 "peak: 473 volume: 0.00 intensity: 0.52 occur:1.0 {?}" 127 72 127 133 parsed_1rg4 1
127 "peak: 484 volume: 0.00 intensity: 1.10 occur:1.0 {?}" 128 72 128 133 parsed_1rg4 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rg4
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_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 2 . OR parsed_1rg4 2
1 2 . 3 . parsed_1rg4 2
1 3 . 4 . parsed_1rg4 2
1 4 . . . parsed_1rg4 2
2 1 2 . OR parsed_1rg4 2
2 2 . 3 . parsed_1rg4 2
2 3 . 4 . parsed_1rg4 2
2 4 . . . parsed_1rg4 2
3 1 2 . OR parsed_1rg4 2
3 2 . 3 . parsed_1rg4 2
3 3 . 4 . parsed_1rg4 2
3 4 . . . parsed_1rg4 2
4 1 2 . OR parsed_1rg4 2
4 2 . 3 . parsed_1rg4 2
4 3 . . . parsed_1rg4 2
5 1 2 . OR parsed_1rg4 2
5 2 . 3 . parsed_1rg4 2
5 3 . . . parsed_1rg4 2
6 1 2 . OR parsed_1rg4 2
6 2 . 3 . parsed_1rg4 2
6 3 . . . parsed_1rg4 2
7 1 2 . OR parsed_1rg4 2
7 2 . 3 . parsed_1rg4 2
7 3 . . . parsed_1rg4 2
8 1 2 . OR parsed_1rg4 2
8 2 . 3 . parsed_1rg4 2
8 3 . 4 . parsed_1rg4 2
8 4 . . . parsed_1rg4 2
9 1 2 . OR parsed_1rg4 2
9 2 . 3 . parsed_1rg4 2
9 3 . . . parsed_1rg4 2
10 1 2 . OR parsed_1rg4 2
10 2 . 3 . parsed_1rg4 2
10 3 . . . parsed_1rg4 2
11 1 2 . OR parsed_1rg4 2
11 2 . 3 . parsed_1rg4 2
11 3 . . . parsed_1rg4 2
12 1 2 . OR parsed_1rg4 2
12 2 . 3 . parsed_1rg4 2
12 3 . 4 . parsed_1rg4 2
12 4 . 5 . parsed_1rg4 2
12 5 . . . parsed_1rg4 2
13 1 2 . OR parsed_1rg4 2
13 2 . 3 . parsed_1rg4 2
13 3 . . . parsed_1rg4 2
14 1 2 . OR parsed_1rg4 2
14 2 . 3 . parsed_1rg4 2
14 3 . . . parsed_1rg4 2
15 1 2 . OR parsed_1rg4 2
15 2 . 3 . parsed_1rg4 2
15 3 . . . parsed_1rg4 2
16 1 2 . OR parsed_1rg4 2
16 2 . 3 . parsed_1rg4 2
16 3 . 4 . parsed_1rg4 2
16 4 . 5 . parsed_1rg4 2
16 5 . . . parsed_1rg4 2
17 1 2 . OR parsed_1rg4 2
17 2 . 3 . parsed_1rg4 2
17 3 . 4 . parsed_1rg4 2
17 4 . . . parsed_1rg4 2
18 1 2 . OR parsed_1rg4 2
18 2 . 3 . parsed_1rg4 2
18 3 . . . parsed_1rg4 2
19 1 2 . OR parsed_1rg4 2
19 2 . 3 . parsed_1rg4 2
19 3 . 4 . parsed_1rg4 2
19 4 . 5 . parsed_1rg4 2
19 5 . . . parsed_1rg4 2
20 1 2 . OR parsed_1rg4 2
20 2 . 3 . parsed_1rg4 2
20 3 . . . parsed_1rg4 2
21 1 2 . OR parsed_1rg4 2
21 2 . 3 . parsed_1rg4 2
21 3 . 4 . parsed_1rg4 2
21 4 . . . parsed_1rg4 2
22 1 2 . OR parsed_1rg4 2
22 2 . 3 . parsed_1rg4 2
22 3 . . . parsed_1rg4 2
23 1 2 . OR parsed_1rg4 2
23 2 . 3 . parsed_1rg4 2
23 3 . . . parsed_1rg4 2
24 1 2 . OR parsed_1rg4 2
24 2 . 3 . parsed_1rg4 2
24 3 . 4 . parsed_1rg4 2
24 4 . . . parsed_1rg4 2
25 1 2 . OR parsed_1rg4 2
25 2 . 3 . parsed_1rg4 2
25 3 . . . parsed_1rg4 2
26 1 2 . OR parsed_1rg4 2
26 2 . 3 . parsed_1rg4 2
26 3 . . . parsed_1rg4 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 2 1 . . . . . . . . . 4 . HD1# parsed_1rg4 2
1 2 2 . . . . . . . . . 6 . HE2# parsed_1rg4 2
1 3 1 . . . . . . . . . 6 . HE2# parsed_1rg4 2
1 3 2 . . . . . . . . . 7 . HD## parsed_1rg4 2
1 4 1 . . . . . . . . . 6 . HE2# parsed_1rg4 2
1 4 2 . . . . . . . . . 8 . HG## parsed_1rg4 2
2 2 1 . . . . . . . . . 4 . HD1# parsed_1rg4 2
2 2 2 . . . . . . . . . 5 . HD1 parsed_1rg4 2
2 3 1 . . . . . . . . . 5 . HD1 parsed_1rg4 2
2 3 2 . . . . . . . . . 7 . HD## parsed_1rg4 2
2 4 1 . . . . . . . . . 5 . HD1 parsed_1rg4 2
2 4 2 . . . . . . . . . 8 . HG## parsed_1rg4 2
3 2 1 . . . . . . . . . 4 . HD1# parsed_1rg4 2
3 2 2 . . . . . . . . . 6 . HE2# parsed_1rg4 2
3 3 1 . . . . . . . . . 6 . HE2# parsed_1rg4 2
3 3 2 . . . . . . . . . 7 . HD## parsed_1rg4 2
3 4 1 . . . . . . . . . 6 . HE2# parsed_1rg4 2
3 4 2 . . . . . . . . . 8 . HG## parsed_1rg4 2
4 2 1 . . . . . . . . . 4 . HB1 parsed_1rg4 2
4 2 2 . . . . . . . . . 4 . HB2 parsed_1rg4 2
4 3 1 . . . . . . . . . 2 . HG# parsed_1rg4 2
4 3 2 . . . . . . . . . 2 . HB# parsed_1rg4 2
5 2 1 . . . . . . . . . 4 . HN parsed_1rg4 2
5 2 2 . . . . . . . . . 5 . HA parsed_1rg4 2
5 3 1 . . . . . . . . . 4 . HN parsed_1rg4 2
5 3 2 . . . . . . . . . 7 . HA parsed_1rg4 2
6 2 1 . . . . . . . . . 5 . HB# parsed_1rg4 2
6 2 2 . . . . . . . . . 7 . HD## parsed_1rg4 2
6 3 1 . . . . . . . . . 5 . HB# parsed_1rg4 2
6 3 2 . . . . . . . . . 4 . HD1# parsed_1rg4 2
7 2 1 . . . . . . . . . 6 . HA parsed_1rg4 2
7 2 2 . . . . . . . . . 7 . HB# parsed_1rg4 2
7 3 1 . . . . . . . . . 6 . HA parsed_1rg4 2
7 3 2 . . . . . . . . . 4 . HB2 parsed_1rg4 2
8 2 1 . . . . . . . . . 6 . HA parsed_1rg4 2
8 2 2 . . . . . . . . . 7 . HD## parsed_1rg4 2
8 3 1 . . . . . . . . . 6 . HA parsed_1rg4 2
8 3 2 . . . . . . . . . 8 . HG## parsed_1rg4 2
8 4 1 . . . . . . . . . 6 . HA parsed_1rg4 2
8 4 2 . . . . . . . . . 4 . HD1# parsed_1rg4 2
9 2 1 . . . . . . . . . 6 . HN parsed_1rg4 2
9 2 2 . . . . . . . . . 7 . HA parsed_1rg4 2
9 3 1 . . . . . . . . . 6 . HN parsed_1rg4 2
9 3 2 . . . . . . . . . 5 . HA parsed_1rg4 2
10 2 1 . . . . . . . . . 6 . HN parsed_1rg4 2
10 2 2 . . . . . . . . . 7 . HB# parsed_1rg4 2
10 3 1 . . . . . . . . . 6 . HN parsed_1rg4 2
10 3 2 . . . . . . . . . 4 . HB1 parsed_1rg4 2
11 2 1 . . . . . . . . . 7 . HD## parsed_1rg4 2
11 2 2 . . . . . . . . . 9 . HA parsed_1rg4 2
11 3 1 . . . . . . . . . 8 . HG## parsed_1rg4 2
11 3 2 . . . . . . . . . 9 . HA parsed_1rg4 2
12 2 1 . . . . . . . . . 7 . HD## parsed_1rg4 2
12 2 2 . . . . . . . . . 8 . HA parsed_1rg4 2
12 3 1 . . . . . . . . . 8 . HA parsed_1rg4 2
12 3 2 . . . . . . . . . 11 . HD## parsed_1rg4 2
12 4 1 . . . . . . . . . 8 . HA parsed_1rg4 2
12 4 2 . . . . . . . . . 12 . HG## parsed_1rg4 2
12 5 1 . . . . . . . . . 8 . HA parsed_1rg4 2
12 5 2 . . . . . . . . . 13 . HD## parsed_1rg4 2
13 2 1 . . . . . . . . . 7 . HB# parsed_1rg4 2
13 2 2 . . . . . . . . . 9 . HA parsed_1rg4 2
13 3 1 . . . . . . . . . 7 . HB# parsed_1rg4 2
13 3 2 . . . . . . . . . 10 . HA parsed_1rg4 2
14 2 1 . . . . . . . . . 7 . HB# parsed_1rg4 2
14 2 2 . . . . . . . . . 9 . HA parsed_1rg4 2
14 3 1 . . . . . . . . . 7 . HB# parsed_1rg4 2
14 3 2 . . . . . . . . . 10 . HA parsed_1rg4 2
15 2 1 . . . . . . . . . 8 . HN parsed_1rg4 2
15 2 2 . . . . . . . . . 9 . HA parsed_1rg4 2
15 3 1 . . . . . . . . . 8 . HN parsed_1rg4 2
15 3 2 . . . . . . . . . 10 . HA parsed_1rg4 2
16 2 1 . . . . . . . . . 10 . HA parsed_1rg4 2
16 2 2 . . . . . . . . . 12 . HG## parsed_1rg4 2
16 3 1 . . . . . . . . . 8 . HG## parsed_1rg4 2
16 3 2 . . . . . . . . . 10 . HA parsed_1rg4 2
16 4 1 . . . . . . . . . 8 . HG## parsed_1rg4 2
16 4 2 . . . . . . . . . 9 . HA parsed_1rg4 2
16 5 1 . . . . . . . . . 12 . HG## parsed_1rg4 2
16 5 2 . . . . . . . . . 9 . HA parsed_1rg4 2
17 2 1 . . . . . . . . . 10 . HG# parsed_1rg4 2
17 2 2 . . . . . . . . . 11 . HD## parsed_1rg4 2
17 3 1 . . . . . . . . . 11 . HD## parsed_1rg4 2
17 3 2 . . . . . . . . . 14 . HG# parsed_1rg4 2
17 4 1 . . . . . . . . . 11 . HD## parsed_1rg4 2
17 4 2 . . . . . . . . . 7 . HB# parsed_1rg4 2
18 2 1 . . . . . . . . . 11 . HA parsed_1rg4 2
18 2 2 . . . . . . . . . 12 . HN parsed_1rg4 2
18 3 1 . . . . . . . . . 12 . HN parsed_1rg4 2
18 3 2 . . . . . . . . . 13 . HA parsed_1rg4 2
19 2 1 . . . . . . . . . 11 . HA parsed_1rg4 2
19 2 2 . . . . . . . . . 12 . HG## parsed_1rg4 2
19 3 1 . . . . . . . . . 12 . HG## parsed_1rg4 2
19 3 2 . . . . . . . . . 13 . HA parsed_1rg4 2
19 4 1 . . . . . . . . . 8 . HG## parsed_1rg4 2
19 4 2 . . . . . . . . . 11 . HA parsed_1rg4 2
19 5 1 . . . . . . . . . 8 . HG## parsed_1rg4 2
19 5 2 . . . . . . . . . 13 . HA parsed_1rg4 2
20 2 1 . . . . . . . . . 11 . HA parsed_1rg4 2
20 2 2 . . . . . . . . . 12 . HN parsed_1rg4 2
20 3 1 . . . . . . . . . 13 . HA parsed_1rg4 2
20 3 2 . . . . . . . . . 12 . HN parsed_1rg4 2
21 2 1 . . . . . . . . . 11 . HA parsed_1rg4 2
21 2 2 . . . . . . . . . 12 . HG## parsed_1rg4 2
21 3 1 . . . . . . . . . 13 . HA parsed_1rg4 2
21 3 2 . . . . . . . . . 12 . HG## parsed_1rg4 2
21 4 1 . . . . . . . . . 11 . HA parsed_1rg4 2
21 4 2 . . . . . . . . . 8 . HG## parsed_1rg4 2
22 2 1 . . . . . . . . . 12 . HG## parsed_1rg4 2
22 2 2 . . . . . . . . . 16 . HG parsed_1rg4 2
22 3 1 . . . . . . . . . 8 . HG## parsed_1rg4 2
22 3 2 . . . . . . . . . 5 . HB# parsed_1rg4 2
23 2 1 . . . . . . . . . 13 . HA parsed_1rg4 2
23 2 2 . . . . . . . . . 14 . HE parsed_1rg4 2
23 3 1 . . . . . . . . . 14 . HE parsed_1rg4 2
23 3 2 . . . . . . . . . 11 . HA parsed_1rg4 2
24 2 1 . . . . . . . . . 13 . HD## parsed_1rg4 2
24 2 2 . . . . . . . . . 14 . HN parsed_1rg4 2
24 3 1 . . . . . . . . . 14 . HN parsed_1rg4 2
24 3 2 . . . . . . . . . 12 . HG## parsed_1rg4 2
24 4 1 . . . . . . . . . 14 . HN parsed_1rg4 2
24 4 2 . . . . . . . . . 11 . HD## parsed_1rg4 2
25 2 1 . . . . . . . . . 13 . HA parsed_1rg4 2
25 2 2 . . . . . . . . . 14 . HN parsed_1rg4 2
25 3 1 . . . . . . . . . 14 . HN parsed_1rg4 2
25 3 2 . . . . . . . . . 11 . HA parsed_1rg4 2
26 2 1 . . . . . . . . . 13 . HD## parsed_1rg4 2
26 2 2 . . . . . . . . . 14 . HE parsed_1rg4 2
26 3 1 . . . . . . . . . 14 . HE parsed_1rg4 2
26 3 2 . . . . . . . . . 11 . HD## parsed_1rg4 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 2 . . . . . 5.0 1.8 12.0 parsed_1rg4 2
1 3 . . . . . 5.0 1.8 12.0 parsed_1rg4 2
1 4 . . . . . 5.0 1.8 12.0 parsed_1rg4 2
2 2 . . . . . 5.0 1.8 9.0 parsed_1rg4 2
2 3 . . . . . 5.0 1.8 9.0 parsed_1rg4 2
2 4 . . . . . 5.0 1.8 9.0 parsed_1rg4 2
3 2 . . . . . 5.0 1.8 12.0 parsed_1rg4 2
3 3 . . . . . 5.0 1.8 12.0 parsed_1rg4 2
3 4 . . . . . 5.0 1.8 12.0 parsed_1rg4 2
4 2 . . . . . 5.0 1.8 7.0 parsed_1rg4 2
4 3 . . . . . 5.0 1.8 7.0 parsed_1rg4 2
5 2 . . . . . 5.0 1.8 5.0 parsed_1rg4 2
5 3 . . . . . 5.0 1.8 5.0 parsed_1rg4 2
6 2 . . . . . 5.0 1.8 11.0 parsed_1rg4 2
6 3 . . . . . 5.0 1.8 11.0 parsed_1rg4 2
7 2 . . . . . 5.0 1.8 6.0 parsed_1rg4 2
7 3 . . . . . 5.0 1.8 6.0 parsed_1rg4 2
8 2 . . . . . 5.0 1.8 12.0 parsed_1rg4 2
8 3 . . . . . 5.0 1.8 12.0 parsed_1rg4 2
8 4 . . . . . 5.0 1.8 12.0 parsed_1rg4 2
9 2 . . . . . 5.0 1.8 5.0 parsed_1rg4 2
9 3 . . . . . 5.0 1.8 5.0 parsed_1rg4 2
10 2 . . . . . 5.0 1.8 6.0 parsed_1rg4 2
10 3 . . . . . 5.0 1.8 6.0 parsed_1rg4 2
11 2 . . . . . 5.0 1.8 11.0 parsed_1rg4 2
11 3 . . . . . 5.0 1.8 11.0 parsed_1rg4 2
12 2 . . . . . 5.0 1.8 14.0 parsed_1rg4 2
12 3 . . . . . 5.0 1.8 14.0 parsed_1rg4 2
12 4 . . . . . 5.0 1.8 14.0 parsed_1rg4 2
12 5 . . . . . 5.0 1.8 14.0 parsed_1rg4 2
13 2 . . . . . 5.0 1.8 7.0 parsed_1rg4 2
13 3 . . . . . 5.0 1.8 7.0 parsed_1rg4 2
14 2 . . . . . 5.0 1.8 7.0 parsed_1rg4 2
14 3 . . . . . 5.0 1.8 7.0 parsed_1rg4 2
15 2 . . . . . 5.0 1.8 5.0 parsed_1rg4 2
15 3 . . . . . 5.0 1.8 5.0 parsed_1rg4 2
16 2 . . . . . 5.0 1.8 17.0 parsed_1rg4 2
16 3 . . . . . 5.0 1.8 17.0 parsed_1rg4 2
16 4 . . . . . 5.0 1.8 17.0 parsed_1rg4 2
16 5 . . . . . 5.0 1.8 17.0 parsed_1rg4 2
17 2 . . . . . 5.0 1.8 17.0 parsed_1rg4 2
17 3 . . . . . 5.0 1.8 17.0 parsed_1rg4 2
17 4 . . . . . 5.0 1.8 17.0 parsed_1rg4 2
18 2 . . . . . 5.0 1.8 5.0 parsed_1rg4 2
18 3 . . . . . 5.0 1.8 5.0 parsed_1rg4 2
19 2 . . . . . 5.0 1.8 17.0 parsed_1rg4 2
19 3 . . . . . 5.0 1.8 17.0 parsed_1rg4 2
19 4 . . . . . 5.0 1.8 17.0 parsed_1rg4 2
19 5 . . . . . 5.0 1.8 17.0 parsed_1rg4 2
20 2 . . . . . 5.0 1.8 5.0 parsed_1rg4 2
20 3 . . . . . 5.0 1.8 5.0 parsed_1rg4 2
21 2 . . . . . 5.0 1.8 14.0 parsed_1rg4 2
21 3 . . . . . 5.0 1.8 14.0 parsed_1rg4 2
21 4 . . . . . 5.0 1.8 14.0 parsed_1rg4 2
22 2 . . . . . 5.0 1.8 12.0 parsed_1rg4 2
22 3 . . . . . 5.0 1.8 12.0 parsed_1rg4 2
23 2 . . . . . 5.0 1.8 5.0 parsed_1rg4 2
23 3 . . . . . 5.0 1.8 5.0 parsed_1rg4 2
24 2 . . . . . 5.0 1.8 11.0 parsed_1rg4 2
24 3 . . . . . 5.0 1.8 11.0 parsed_1rg4 2
24 4 . . . . . 5.0 1.8 11.0 parsed_1rg4 2
25 2 . . . . . 5.0 1.8 5.0 parsed_1rg4 2
25 3 . . . . . 5.0 1.8 5.0 parsed_1rg4 2
26 2 . . . . . 5.0 1.8 11.0 parsed_1rg4 2
26 3 . . . . . 5.0 1.8 11.0 parsed_1rg4 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 "peak: 32 volume: 0.00 intensity: 0.02 {or}" 2 72 2 124 parsed_1rg4 2
2 Ambiguous 1 1 1 13 parsed_1rg4 2
3 "peak: 155 volume: 0.17 intensity: 0.23 {or_7_or_8_HD}" 5 72 5 134 parsed_1rg4 2
4 "peak: 209 volume: 0.00 intensity: 0.06 {or}" 8 72 8 124 parsed_1rg4 2
5 "peak: 353 volume: 0.00 intensity: 8.11 {?}" 11 72 11 124 parsed_1rg4 2
6 "peak: 458 volume: 0.16 intensity: 0.16 {or_7_HA}" 13 72 13 130 parsed_1rg4 2
7 "peak: 467 volume: 0.04 intensity: 0.05 {or_5_to_4_HD}" 15 72 15 135 parsed_1rg4 2
8 "peak: 19 volume: 0.14 intensity: 0.40 {or_4HB2}" 17 72 17 130 parsed_1rg4 2
9 "peak: 20 volume: 0.00 intensity: 0.04 {or}" 19 72 19 124 parsed_1rg4 2
10 "peak: 175 volume: 0.26 intensity: 0.61 {or_5HA}" 22 72 22 129 parsed_1rg4 2
11 "peak: 181 volume: 0.01 intensity: 0.24 {or_4_HB}" 24 72 24 130 parsed_1rg4 2
12 "peak: 138 volume: 0.05 intensity: 0.19 {or_8HG2#}" 26 72 26 131 parsed_1rg4 2
13 "peak: 239 volume: 0.10 intensity: 0.18 {or8to11HDor8to12HDor8to13HD}" 28 72 28 149 parsed_1rg4 2
14 "peak: 477 volume: 0.00 intensity: 0.64 {?}" 32 72 32 124 parsed_1rg4 2
15 "peak: 478 volume: 0.00 intensity: 0.59 {?}" 34 72 34 124 parsed_1rg4 2
16 "peak: 228 volume: 0.03 intensity: 0.32 {or8to10HA}" 36 72 36 132 parsed_1rg4 2
17 "peak: 395 volume: 0.02 intensity: 0.10 {or8HGto10or8HGto9HAor12HGto9HA}" 38 73 38 153 parsed_1rg4 2
18 "peak: 491 volume: 0.25 intensity: 0.35 {or11to14HGor11to7HB}" 42 73 42 142 parsed_1rg4 2
19 "peak: 298 volume: 0.13 intensity: 0.75 {or12to13HA}" 45 72 45 133 parsed_1rg4 2
20 "peak: 396 volume: 0.00 intensity: 0.03 {or12to13HAor8HGto11HAor8HGto13HA}" 47 73 47 155 parsed_1rg4 2
21 "peak: 487 volume: 0.29 intensity: 0.26 {or13HAto12}" 51 72 51 133 parsed_1rg4 2
22 "peak: 489 volume: 0.06 intensity: 0.05 {or12to13HAor11to8HG}" 53 72 53 141 parsed_1rg4 2
23 "peak: 392 volume: -0.04 intensity: 0.08 {or8hgto5hb}" 56 72 56 133 parsed_1rg4 2
24 "peak: 327 volume: 0.08 intensity: 0.23 {or14to11HA}" 58 72 58 133 parsed_1rg4 2
25 "peak: 482 volume: 0.13 intensity: 0.13 {or14to12HGor14to11HD}" 60 72 60 142 parsed_1rg4 2
26 "peak: 483 volume: 1.15 intensity: 1.19 {or14to11HA}" 63 72 63 133 parsed_1rg4 2
27 "peak: 486 volume: 0.03 intensity: 0.03 {or14to11HD}" 65 72 65 133 parsed_1rg4 2
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1rg4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1rg4 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_1rg4 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1rg4 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_1rg4 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1rg4 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_1rg4 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1rg4 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_1rg4 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1rg4 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_1rg4 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1rg4 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_1rg4 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1rg4 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_1rg4 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1rg4 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_1rg4 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1rg4 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_1rg4 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1rg4 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_1rg4 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1rg4 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
Phi (top) and psi (bottom) angles
what the 4 numbers at the end of the assign statement mean:
1: energy constant
2: dihedral angle
3: allowed range around dihedral angle
4: exponent of the restraining function
for b: phi=-120 +/- 30 psi=120 +/- 40
for a: phi=-60 +/- 30 psi=-40 +/- 40
;
2 1 10 39 parsed_1rg4 1
stop_
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rg4
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_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_1rg4 3
2 1 . . . parsed_1rg4 3
3 1 . . . parsed_1rg4 3
4 1 . . . parsed_1rg4 3
5 1 . . . parsed_1rg4 3
6 1 . . . parsed_1rg4 3
7 1 . . . parsed_1rg4 3
8 1 . . . parsed_1rg4 3
9 1 . . . parsed_1rg4 3
10 1 . . . parsed_1rg4 3
11 1 . . . parsed_1rg4 3
12 1 . . . parsed_1rg4 3
13 1 . . . parsed_1rg4 3
14 1 . . . parsed_1rg4 3
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 . . . . . . . . . 6 . O parsed_1rg4 3
1 1 2 . . . . . . . . . 10 . HN parsed_1rg4 3
2 1 1 . . . . . . . . . 6 . O parsed_1rg4 3
2 1 2 . . . . . . . . . 10 . N parsed_1rg4 3
3 1 1 . . . . . . . . . 7 . O parsed_1rg4 3
3 1 2 . . . . . . . . . 11 . HN parsed_1rg4 3
4 1 1 . . . . . . . . . 7 . O parsed_1rg4 3
4 1 2 . . . . . . . . . 11 . N parsed_1rg4 3
5 1 1 . . . . . . . . . 8 . O parsed_1rg4 3
5 1 2 . . . . . . . . . 12 . HN parsed_1rg4 3
6 1 1 . . . . . . . . . 8 . O parsed_1rg4 3
6 1 2 . . . . . . . . . 12 . N parsed_1rg4 3
7 1 1 . . . . . . . . . 9 . O parsed_1rg4 3
7 1 2 . . . . . . . . . 13 . HN parsed_1rg4 3
8 1 1 . . . . . . . . . 9 . O parsed_1rg4 3
8 1 2 . . . . . . . . . 13 . N parsed_1rg4 3
9 1 1 . . . . . . . . . 10 . O parsed_1rg4 3
9 1 2 . . . . . . . . . 14 . HN parsed_1rg4 3
10 1 1 . . . . . . . . . 10 . O parsed_1rg4 3
10 1 2 . . . . . . . . . 14 . N parsed_1rg4 3
11 1 1 . . . . . . . . . 11 . O parsed_1rg4 3
11 1 2 . . . . . . . . . 15 . HN parsed_1rg4 3
12 1 1 . . . . . . . . . 11 . O parsed_1rg4 3
12 1 2 . . . . . . . . . 15 . N parsed_1rg4 3
13 1 1 . . . . . . . . . 12 . O parsed_1rg4 3
13 1 2 . . . . . . . . . 16 . HN parsed_1rg4 3
14 1 1 . . . . . . . . . 12 . O parsed_1rg4 3
14 1 2 . . . . . . . . . 16 . N parsed_1rg4 3
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 . . . . . 2.2 1.7 2.4 parsed_1rg4 3
2 1 . . . . . 3.3 2.5 3.5 parsed_1rg4 3
3 1 . . . . . 2.2 1.7 2.4 parsed_1rg4 3
4 1 . . . . . 3.3 2.5 5.5 parsed_1rg4 3
5 1 . . . . . 2.2 1.7 2.4 parsed_1rg4 3
6 1 . . . . . 3.3 2.5 3.5 parsed_1rg4 3
7 1 . . . . . 2.2 1.7 2.4 parsed_1rg4 3
8 1 . . . . . 3.3 2.5 5.5 parsed_1rg4 3
9 1 . . . . . 2.2 1.7 2.4 parsed_1rg4 3
10 1 . . . . . 3.3 2.5 3.5 parsed_1rg4 3
11 1 . . . . . 2.2 1.7 2.4 parsed_1rg4 3
12 1 . . . . . 3.3 2.5 5.5 parsed_1rg4 3
13 1 . . . . . 2.2 1.7 2.4 parsed_1rg4 3
14 1 . . . . . 3.3 2.5 5.5 parsed_1rg4 3
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 "Hydrogen bond restraints" 2 1 2 27 parsed_1rg4 3
stop_
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1rg4
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 7
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
--------------------------------------
;
save_
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