NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
38396 |
1rg3   |
6040 | cing | 2-parsed | STAR | entry | full | 232 |
data_1rg3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1rg3
_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_1rg3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1rg3
_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 1rg3 "Master copy" parsed_1rg3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1rg3
_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 1rg3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1rg3 1
1 1rg3.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1rg3 1
1 1rg3.mr . . XPLOR/CNS 3 distance NOE simple 130 parsed_1rg3 1
1 1rg3.mr . . XPLOR/CNS 4 distance NOE ambi 71 parsed_1rg3 1
1 1rg3.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 19 parsed_1rg3 1
1 1rg3.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 12 parsed_1rg3 1
1 1rg3.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1rg3 1
1 1rg3.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1rg3 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_1rg3
_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 1RG3
*TITLE SP-B C-TERMINAL PEPTIDE IN SDS MICELLES
*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 1RG3 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1rg3
_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
;
--------------------------------------
sds_constraints.tbl?q????????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_1rg3
_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_1rg3 1
2 1 . . . parsed_1rg3 1
3 1 . . . parsed_1rg3 1
4 1 . . . parsed_1rg3 1
5 1 . . . parsed_1rg3 1
6 1 . . . parsed_1rg3 1
7 1 . . . parsed_1rg3 1
8 1 . . . parsed_1rg3 1
9 1 . . . parsed_1rg3 1
10 1 . . . parsed_1rg3 1
11 1 . . . parsed_1rg3 1
12 1 . . . parsed_1rg3 1
13 1 . . . parsed_1rg3 1
14 1 . . . parsed_1rg3 1
15 1 . . . parsed_1rg3 1
16 1 . . . parsed_1rg3 1
17 1 . . . parsed_1rg3 1
18 1 . . . parsed_1rg3 1
19 1 . . . parsed_1rg3 1
20 1 . . . parsed_1rg3 1
21 1 . . . parsed_1rg3 1
22 1 . . . parsed_1rg3 1
23 1 . . . parsed_1rg3 1
24 1 . . . parsed_1rg3 1
25 1 . . . parsed_1rg3 1
26 1 . . . parsed_1rg3 1
27 1 . . . parsed_1rg3 1
28 1 . . . parsed_1rg3 1
29 1 . . . parsed_1rg3 1
30 1 . . . parsed_1rg3 1
31 1 . . . parsed_1rg3 1
32 1 . . . parsed_1rg3 1
33 1 . . . parsed_1rg3 1
34 1 . . . parsed_1rg3 1
35 1 . . . parsed_1rg3 1
36 1 . . . parsed_1rg3 1
37 1 . . . parsed_1rg3 1
38 1 . . . parsed_1rg3 1
39 1 . . . parsed_1rg3 1
40 1 . . . parsed_1rg3 1
41 1 . . . parsed_1rg3 1
42 1 . . . parsed_1rg3 1
43 1 . . . parsed_1rg3 1
44 1 . . . parsed_1rg3 1
45 1 . . . parsed_1rg3 1
46 1 . . . parsed_1rg3 1
47 1 . . . parsed_1rg3 1
48 1 . . . parsed_1rg3 1
49 1 . . . parsed_1rg3 1
50 1 . . . parsed_1rg3 1
51 1 . . . parsed_1rg3 1
52 1 . . . parsed_1rg3 1
53 1 . . . parsed_1rg3 1
54 1 . . . parsed_1rg3 1
55 1 . . . parsed_1rg3 1
56 1 . . . parsed_1rg3 1
57 1 . . . parsed_1rg3 1
58 1 . . . parsed_1rg3 1
59 1 . . . parsed_1rg3 1
60 1 . . . parsed_1rg3 1
61 1 . . . parsed_1rg3 1
62 1 . . . parsed_1rg3 1
63 1 . . . parsed_1rg3 1
64 1 . . . parsed_1rg3 1
65 1 . . . parsed_1rg3 1
66 1 . . . parsed_1rg3 1
67 1 . . . parsed_1rg3 1
68 1 . . . parsed_1rg3 1
69 1 . . . parsed_1rg3 1
70 1 . . . parsed_1rg3 1
71 1 . . . parsed_1rg3 1
72 1 . . . parsed_1rg3 1
73 1 . . . parsed_1rg3 1
74 1 . . . parsed_1rg3 1
75 1 . . . parsed_1rg3 1
76 1 . . . parsed_1rg3 1
77 1 . . . parsed_1rg3 1
78 1 . . . parsed_1rg3 1
79 1 . . . parsed_1rg3 1
80 1 . . . parsed_1rg3 1
81 1 . . . parsed_1rg3 1
82 1 . . . parsed_1rg3 1
83 1 . . . parsed_1rg3 1
84 1 . . . parsed_1rg3 1
85 1 . . . parsed_1rg3 1
86 1 . . . parsed_1rg3 1
87 1 . . . parsed_1rg3 1
88 1 . . . parsed_1rg3 1
89 1 . . . parsed_1rg3 1
90 1 . . . parsed_1rg3 1
91 1 . . . parsed_1rg3 1
92 1 . . . parsed_1rg3 1
93 1 . . . parsed_1rg3 1
94 1 . . . parsed_1rg3 1
95 1 . . . parsed_1rg3 1
96 1 . . . parsed_1rg3 1
97 1 . . . parsed_1rg3 1
98 1 . . . parsed_1rg3 1
99 1 . . . parsed_1rg3 1
100 1 . . . parsed_1rg3 1
101 1 . . . parsed_1rg3 1
102 1 . . . parsed_1rg3 1
103 1 . . . parsed_1rg3 1
104 1 . . . parsed_1rg3 1
105 1 . . . parsed_1rg3 1
106 1 . . . parsed_1rg3 1
107 1 . . . parsed_1rg3 1
108 1 . . . parsed_1rg3 1
109 1 . . . parsed_1rg3 1
110 1 . . . parsed_1rg3 1
111 1 . . . parsed_1rg3 1
112 1 . . . parsed_1rg3 1
113 1 . . . parsed_1rg3 1
114 1 . . . parsed_1rg3 1
115 1 . . . parsed_1rg3 1
116 1 . . . parsed_1rg3 1
117 1 . . . parsed_1rg3 1
118 1 . . . parsed_1rg3 1
119 1 . . . parsed_1rg3 1
120 1 . . . parsed_1rg3 1
121 1 . . . parsed_1rg3 1
122 1 . . . parsed_1rg3 1
123 1 . . . parsed_1rg3 1
124 1 . . . parsed_1rg3 1
125 1 . . . parsed_1rg3 1
126 1 . . . parsed_1rg3 1
127 1 . . . parsed_1rg3 1
128 1 . . . parsed_1rg3 1
129 1 . . . parsed_1rg3 1
130 1 . . . parsed_1rg3 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_1rg3 1
1 1 2 . . . . . . . . . 2 . HN parsed_1rg3 1
2 1 1 . . . . . . . . . 1 . HA# parsed_1rg3 1
2 1 2 . . . . . . . . . 2 . HA parsed_1rg3 1
3 1 1 . . . . . . . . . 1 . HA# parsed_1rg3 1
3 1 2 . . . . . . . . . 2 . HD# parsed_1rg3 1
4 1 1 . . . . . . . . . 1 . HA# parsed_1rg3 1
4 1 2 . . . . . . . . . 2 . HG# parsed_1rg3 1
5 1 1 . . . . . . . . . 1 . HA# parsed_1rg3 1
5 1 2 . . . . . . . . . 2 . HB# parsed_1rg3 1
6 1 1 . . . . . . . . . 2 . HA parsed_1rg3 1
6 1 2 . . . . . . . . . 3 . HN parsed_1rg3 1
7 1 1 . . . . . . . . . 2 . HD# parsed_1rg3 1
7 1 2 . . . . . . . . . 3 . HN parsed_1rg3 1
8 1 1 . . . . . . . . . 2 . HE parsed_1rg3 1
8 1 2 . . . . . . . . . 3 . HN parsed_1rg3 1
9 1 1 . . . . . . . . . 2 . HA parsed_1rg3 1
9 1 2 . . . . . . . . . 3 . HG# parsed_1rg3 1
10 1 1 . . . . . . . . . 2 . HA parsed_1rg3 1
10 1 2 . . . . . . . . . 3 . HA parsed_1rg3 1
11 1 1 . . . . . . . . . 3 . HG# parsed_1rg3 1
11 1 2 . . . . . . . . . 4 . HN parsed_1rg3 1
12 1 1 . . . . . . . . . 3 . HA parsed_1rg3 1
12 1 2 . . . . . . . . . 4 . HN parsed_1rg3 1
13 1 1 . . . . . . . . . 3 . HB# parsed_1rg3 1
13 1 2 . . . . . . . . . 4 . HA parsed_1rg3 1
14 1 1 . . . . . . . . . 3 . HG# parsed_1rg3 1
14 1 2 . . . . . . . . . 4 . HA parsed_1rg3 1
15 1 1 . . . . . . . . . 3 . HN parsed_1rg3 1
15 1 2 . . . . . . . . . 4 . HB2 parsed_1rg3 1
16 1 1 . . . . . . . . . 4 . HA parsed_1rg3 1
16 1 2 . . . . . . . . . 5 . HD1 parsed_1rg3 1
17 1 1 . . . . . . . . . 4 . HN parsed_1rg3 1
17 1 2 . . . . . . . . . 5 . HD1 parsed_1rg3 1
18 1 1 . . . . . . . . . 4 . HA parsed_1rg3 1
18 1 2 . . . . . . . . . 5 . HD2 parsed_1rg3 1
19 1 1 . . . . . . . . . 4 . HN parsed_1rg3 1
19 1 2 . . . . . . . . . 5 . HD2 parsed_1rg3 1
20 1 1 . . . . . . . . . 4 . HA parsed_1rg3 1
20 1 2 . . . . . . . . . 5 . HG# parsed_1rg3 1
21 1 1 . . . . . . . . . 4 . HN parsed_1rg3 1
21 1 2 . . . . . . . . . 5 . HG# parsed_1rg3 1
22 1 1 . . . . . . . . . 4 . HD2# parsed_1rg3 1
22 1 2 . . . . . . . . . 5 . HD2 parsed_1rg3 1
23 1 1 . . . . . . . . . 5 . HD1 parsed_1rg3 1
23 1 2 . . . . . . . . . 6 . HN parsed_1rg3 1
24 1 1 . . . . . . . . . 5 . HG# parsed_1rg3 1
24 1 2 . . . . . . . . . 6 . HN parsed_1rg3 1
25 1 1 . . . . . . . . . 5 . HD2 parsed_1rg3 1
25 1 2 . . . . . . . . . 6 . HN parsed_1rg3 1
26 1 1 . . . . . . . . . 6 . HN parsed_1rg3 1
26 1 2 . . . . . . . . . 7 . HN parsed_1rg3 1
27 1 1 . . . . . . . . . 6 . HG# parsed_1rg3 1
27 1 2 . . . . . . . . . 7 . HN parsed_1rg3 1
28 1 1 . . . . . . . . . 6 . HB# parsed_1rg3 1
28 1 2 . . . . . . . . . 7 . HN parsed_1rg3 1
29 1 1 . . . . . . . . . 7 . HD## parsed_1rg3 1
29 1 2 . . . . . . . . . 8 . HA parsed_1rg3 1
30 1 1 . . . . . . . . . 7 . HA parsed_1rg3 1
30 1 2 . . . . . . . . . 8 . HN parsed_1rg3 1
31 1 1 . . . . . . . . . 8 . HN parsed_1rg3 1
31 1 2 . . . . . . . . . 9 . HN parsed_1rg3 1
32 1 1 . . . . . . . . . 8 . HA parsed_1rg3 1
32 1 2 . . . . . . . . . 9 . HB# parsed_1rg3 1
33 1 1 . . . . . . . . . 8 . HA parsed_1rg3 1
33 1 2 . . . . . . . . . 9 . HN parsed_1rg3 1
34 1 1 . . . . . . . . . 8 . HG## parsed_1rg3 1
34 1 2 . . . . . . . . . 9 . HB# parsed_1rg3 1
35 1 1 . . . . . . . . . 8 . HG## parsed_1rg3 1
35 1 2 . . . . . . . . . 9 . HN parsed_1rg3 1
36 1 1 . . . . . . . . . 8 . HB parsed_1rg3 1
36 1 2 . . . . . . . . . 9 . HN parsed_1rg3 1
37 1 1 . . . . . . . . . 8 . HN parsed_1rg3 1
37 1 2 . . . . . . . . . 9 . HB# parsed_1rg3 1
38 1 1 . . . . . . . . . 9 . HN parsed_1rg3 1
38 1 2 . . . . . . . . . 10 . HN parsed_1rg3 1
39 1 1 . . . . . . . . . 9 . HB# parsed_1rg3 1
39 1 2 . . . . . . . . . 10 . HG# parsed_1rg3 1
40 1 1 . . . . . . . . . 9 . HB# parsed_1rg3 1
40 1 2 . . . . . . . . . 10 . HN parsed_1rg3 1
41 1 1 . . . . . . . . . 9 . HB# parsed_1rg3 1
41 1 2 . . . . . . . . . 10 . HB# parsed_1rg3 1
42 1 1 . . . . . . . . . 10 . HN parsed_1rg3 1
42 1 2 . . . . . . . . . 11 . HN parsed_1rg3 1
43 1 1 . . . . . . . . . 10 . HD# parsed_1rg3 1
43 1 2 . . . . . . . . . 11 . HN parsed_1rg3 1
44 1 1 . . . . . . . . . 10 . HB# parsed_1rg3 1
44 1 2 . . . . . . . . . 11 . HN parsed_1rg3 1
45 1 1 . . . . . . . . . 10 . HE parsed_1rg3 1
45 1 2 . . . . . . . . . 11 . HN parsed_1rg3 1
46 1 1 . . . . . . . . . 10 . HA parsed_1rg3 1
46 1 2 . . . . . . . . . 11 . HN parsed_1rg3 1
47 1 1 . . . . . . . . . 11 . HN parsed_1rg3 1
47 1 2 . . . . . . . . . 12 . HA parsed_1rg3 1
48 1 1 . . . . . . . . . 11 . HN parsed_1rg3 1
48 1 2 . . . . . . . . . 12 . HN parsed_1rg3 1
49 1 1 . . . . . . . . . 11 . HA parsed_1rg3 1
49 1 2 . . . . . . . . . 12 . HA parsed_1rg3 1
50 1 1 . . . . . . . . . 11 . HA parsed_1rg3 1
50 1 2 . . . . . . . . . 12 . HN parsed_1rg3 1
51 1 1 . . . . . . . . . 11 . HN parsed_1rg3 1
51 1 2 . . . . . . . . . 12 . HG## parsed_1rg3 1
52 1 1 . . . . . . . . . 11 . HB# parsed_1rg3 1
52 1 2 . . . . . . . . . 12 . HN parsed_1rg3 1
53 1 1 . . . . . . . . . 12 . HN parsed_1rg3 1
53 1 2 . . . . . . . . . 13 . HA parsed_1rg3 1
54 1 1 . . . . . . . . . 12 . HA parsed_1rg3 1
54 1 2 . . . . . . . . . 13 . HN parsed_1rg3 1
55 1 1 . . . . . . . . . 12 . HN parsed_1rg3 1
55 1 2 . . . . . . . . . 13 . HN parsed_1rg3 1
56 1 1 . . . . . . . . . 12 . HA parsed_1rg3 1
56 1 2 . . . . . . . . . 13 . HA parsed_1rg3 1
57 1 1 . . . . . . . . . 12 . HB parsed_1rg3 1
57 1 2 . . . . . . . . . 13 . HN parsed_1rg3 1
58 1 1 . . . . . . . . . 12 . HG## parsed_1rg3 1
58 1 2 . . . . . . . . . 13 . HA parsed_1rg3 1
59 1 1 . . . . . . . . . 14 . HA parsed_1rg3 1
59 1 2 . . . . . . . . . 15 . HN parsed_1rg3 1
60 1 1 . . . . . . . . . 14 . HN parsed_1rg3 1
60 1 2 . . . . . . . . . 15 . HN parsed_1rg3 1
61 1 1 . . . . . . . . . 14 . HD# parsed_1rg3 1
61 1 2 . . . . . . . . . 15 . HA parsed_1rg3 1
62 1 1 . . . . . . . . . 15 . HN parsed_1rg3 1
62 1 2 . . . . . . . . . 16 . HN parsed_1rg3 1
63 1 1 . . . . . . . . . 15 . HA parsed_1rg3 1
63 1 2 . . . . . . . . . 16 . HN parsed_1rg3 1
64 1 1 . . . . . . . . . 15 . HB2 parsed_1rg3 1
64 1 2 . . . . . . . . . 16 . HN parsed_1rg3 1
65 1 1 . . . . . . . . . 15 . HB1 parsed_1rg3 1
65 1 2 . . . . . . . . . 16 . HN parsed_1rg3 1
66 1 1 . . . . . . . . . 15 . HN parsed_1rg3 1
66 1 2 . . . . . . . . . 16 . HB# parsed_1rg3 1
67 1 1 . . . . . . . . . 15 . HB2 parsed_1rg3 1
67 1 2 . . . . . . . . . 16 . HB# parsed_1rg3 1
68 1 1 . . . . . . . . . 15 . HB1 parsed_1rg3 1
68 1 2 . . . . . . . . . 16 . HB# parsed_1rg3 1
69 1 1 . . . . . . . . . 15 . HB2 parsed_1rg3 1
69 1 2 . . . . . . . . . 16 . HA parsed_1rg3 1
70 1 1 . . . . . . . . . 1 . HA# parsed_1rg3 1
70 1 2 . . . . . . . . . 3 . HG# parsed_1rg3 1
71 1 1 . . . . . . . . . 1 . HA# parsed_1rg3 1
71 1 2 . . . . . . . . . 3 . HB# parsed_1rg3 1
72 1 1 . . . . . . . . . 1 . HA# parsed_1rg3 1
72 1 2 . . . . . . . . . 5 . HD2 parsed_1rg3 1
73 1 1 . . . . . . . . . 2 . HD# parsed_1rg3 1
73 1 2 . . . . . . . . . 5 . HB# parsed_1rg3 1
74 1 1 . . . . . . . . . 2 . HA parsed_1rg3 1
74 1 2 . . . . . . . . . 5 . HD2 parsed_1rg3 1
75 1 1 . . . . . . . . . 2 . HA parsed_1rg3 1
75 1 2 . . . . . . . . . 5 . HD1 parsed_1rg3 1
76 1 1 . . . . . . . . . 2 . HE parsed_1rg3 1
76 1 2 . . . . . . . . . 5 . HD2 parsed_1rg3 1
77 1 1 . . . . . . . . . 3 . HG# parsed_1rg3 1
77 1 2 . . . . . . . . . 6 . HB# parsed_1rg3 1
78 1 1 . . . . . . . . . 3 . HA parsed_1rg3 1
78 1 2 . . . . . . . . . 5 . HD1 parsed_1rg3 1
79 1 1 . . . . . . . . . 3 . HN parsed_1rg3 1
79 1 2 . . . . . . . . . 5 . HD1 parsed_1rg3 1
80 1 1 . . . . . . . . . 3 . HN parsed_1rg3 1
80 1 2 . . . . . . . . . 5 . HD2 parsed_1rg3 1
81 1 1 . . . . . . . . . 3 . HA parsed_1rg3 1
81 1 2 . . . . . . . . . 5 . HD2 parsed_1rg3 1
82 1 1 . . . . . . . . . 3 . HA parsed_1rg3 1
82 1 2 . . . . . . . . . 6 . HN parsed_1rg3 1
83 1 1 . . . . . . . . . 3 . HA parsed_1rg3 1
83 1 2 . . . . . . . . . 6 . HB# parsed_1rg3 1
84 1 1 . . . . . . . . . 3 . HA parsed_1rg3 1
84 1 2 . . . . . . . . . 6 . HG# parsed_1rg3 1
85 1 1 . . . . . . . . . 3 . HA parsed_1rg3 1
85 1 2 . . . . . . . . . 7 . HN parsed_1rg3 1
86 1 1 . . . . . . . . . 4 . HA parsed_1rg3 1
86 1 2 . . . . . . . . . 7 . HA parsed_1rg3 1
87 1 1 . . . . . . . . . 4 . HA parsed_1rg3 1
87 1 2 . . . . . . . . . 7 . HN parsed_1rg3 1
88 1 1 . . . . . . . . . 4 . HA parsed_1rg3 1
88 1 2 . . . . . . . . . 6 . HB# parsed_1rg3 1
89 1 1 . . . . . . . . . 4 . HN parsed_1rg3 1
89 1 2 . . . . . . . . . 7 . HA parsed_1rg3 1
90 1 1 . . . . . . . . . 4 . HA parsed_1rg3 1
90 1 2 . . . . . . . . . 8 . HG## parsed_1rg3 1
91 1 1 . . . . . . . . . 6 . HG# parsed_1rg3 1
91 1 2 . . . . . . . . . 9 . HB# parsed_1rg3 1
92 1 1 . . . . . . . . . 6 . HN parsed_1rg3 1
92 1 2 . . . . . . . . . 9 . HB# parsed_1rg3 1
93 1 1 . . . . . . . . . 6 . HB# parsed_1rg3 1
93 1 2 . . . . . . . . . 9 . HN parsed_1rg3 1
94 1 1 . . . . . . . . . 6 . HG# parsed_1rg3 1
94 1 2 . . . . . . . . . 9 . HN parsed_1rg3 1
95 1 1 . . . . . . . . . 6 . HN parsed_1rg3 1
95 1 2 . . . . . . . . . 8 . HG## parsed_1rg3 1
96 1 1 . . . . . . . . . 6 . HB# parsed_1rg3 1
96 1 2 . . . . . . . . . 10 . HD# parsed_1rg3 1
97 1 1 . . . . . . . . . 6 . HG# parsed_1rg3 1
97 1 2 . . . . . . . . . 10 . HN parsed_1rg3 1
98 1 1 . . . . . . . . . 6 . HG# parsed_1rg3 1
98 1 2 . . . . . . . . . 10 . HD# parsed_1rg3 1
99 1 1 . . . . . . . . . 6 . HG# parsed_1rg3 1
99 1 2 . . . . . . . . . 10 . HE parsed_1rg3 1
100 1 1 . . . . . . . . . 7 . HN parsed_1rg3 1
100 1 2 . . . . . . . . . 10 . HN parsed_1rg3 1
101 1 1 . . . . . . . . . 7 . HN parsed_1rg3 1
101 1 2 . . . . . . . . . 9 . HB# parsed_1rg3 1
102 1 1 . . . . . . . . . 7 . HN parsed_1rg3 1
102 1 2 . . . . . . . . . 9 . HN parsed_1rg3 1
103 1 1 . . . . . . . . . 7 . HN parsed_1rg3 1
103 1 2 . . . . . . . . . 10 . HB# parsed_1rg3 1
104 1 1 . . . . . . . . . 7 . HN parsed_1rg3 1
104 1 2 . . . . . . . . . 10 . HD# parsed_1rg3 1
105 1 1 . . . . . . . . . 8 . HA parsed_1rg3 1
105 1 2 . . . . . . . . . 11 . HN parsed_1rg3 1
106 1 1 . . . . . . . . . 8 . HN parsed_1rg3 1
106 1 2 . . . . . . . . . 10 . HN parsed_1rg3 1
107 1 1 . . . . . . . . . 8 . HA parsed_1rg3 1
107 1 2 . . . . . . . . . 12 . HN parsed_1rg3 1
108 1 1 . . . . . . . . . 9 . HA parsed_1rg3 1
108 1 2 . . . . . . . . . 12 . HN parsed_1rg3 1
109 1 1 . . . . . . . . . 9 . HB# parsed_1rg3 1
109 1 2 . . . . . . . . . 12 . HN parsed_1rg3 1
110 1 1 . . . . . . . . . 10 . HG# parsed_1rg3 1
110 1 2 . . . . . . . . . 13 . HA parsed_1rg3 1
111 1 1 . . . . . . . . . 10 . HG# parsed_1rg3 1
111 1 2 . . . . . . . . . 12 . HA parsed_1rg3 1
112 1 1 . . . . . . . . . 11 . HN parsed_1rg3 1
112 1 2 . . . . . . . . . 14 . HA parsed_1rg3 1
113 1 1 . . . . . . . . . 11 . HD## parsed_1rg3 1
113 1 2 . . . . . . . . . 16 . HN parsed_1rg3 1
114 1 1 . . . . . . . . . 11 . HN parsed_1rg3 1
114 1 2 . . . . . . . . . 13 . HN parsed_1rg3 1
115 1 1 . . . . . . . . . 11 . HA parsed_1rg3 1
115 1 2 . . . . . . . . . 14 . HB# parsed_1rg3 1
116 1 1 . . . . . . . . . 11 . HA parsed_1rg3 1
116 1 2 . . . . . . . . . 14 . HD# parsed_1rg3 1
117 1 1 . . . . . . . . . 12 . HA parsed_1rg3 1
117 1 2 . . . . . . . . . 16 . HN parsed_1rg3 1
118 1 1 . . . . . . . . . 12 . HG## parsed_1rg3 1
118 1 2 . . . . . . . . . 16 . HB# parsed_1rg3 1
119 1 1 . . . . . . . . . 12 . HN parsed_1rg3 1
119 1 2 . . . . . . . . . 14 . HN parsed_1rg3 1
120 1 1 . . . . . . . . . 12 . HG## parsed_1rg3 1
120 1 2 . . . . . . . . . 16 . HN parsed_1rg3 1
121 1 1 . . . . . . . . . 12 . HA parsed_1rg3 1
121 1 2 . . . . . . . . . 15 . HB2 parsed_1rg3 1
122 1 1 . . . . . . . . . 12 . HA parsed_1rg3 1
122 1 2 . . . . . . . . . 15 . HB1 parsed_1rg3 1
123 1 1 . . . . . . . . . 13 . HB# parsed_1rg3 1
123 1 2 . . . . . . . . . 16 . HA parsed_1rg3 1
124 1 1 . . . . . . . . . 13 . HA parsed_1rg3 1
124 1 2 . . . . . . . . . 16 . HN parsed_1rg3 1
125 1 1 . . . . . . . . . 13 . HA parsed_1rg3 1
125 1 2 . . . . . . . . . 16 . HB# parsed_1rg3 1
126 1 1 . . . . . . . . . 13 . HB# parsed_1rg3 1
126 1 2 . . . . . . . . . 16 . HN parsed_1rg3 1
127 1 1 . . . . . . . . . 14 . HN parsed_1rg3 1
127 1 2 . . . . . . . . . 16 . HN parsed_1rg3 1
128 1 1 . . . . . . . . . 14 . HB# parsed_1rg3 1
128 1 2 . . . . . . . . . 16 . HN parsed_1rg3 1
129 1 1 . . . . . . . . . 14 . HG# parsed_1rg3 1
129 1 2 . . . . . . . . . 16 . HN parsed_1rg3 1
130 1 1 . . . . . . . . . 14 . HA parsed_1rg3 1
130 1 2 . . . . . . . . . 16 . HN parsed_1rg3 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.8 1.8 3.8 parsed_1rg3 1
2 1 . . . . . 3.4 1.8 4.4 parsed_1rg3 1
3 1 . . . . . 5.0 1.8 7.0 parsed_1rg3 1
4 1 . . . . . 5.0 1.8 7.0 parsed_1rg3 1
5 1 . . . . . 3.4 1.8 5.4 parsed_1rg3 1
6 1 . . . . . 2.8 1.8 2.8 parsed_1rg3 1
7 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
8 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
9 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
10 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
11 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
12 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
13 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
14 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
15 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
16 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
17 1 . . . . . 2.8 1.8 2.8 parsed_1rg3 1
18 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
19 1 . . . . . 2.8 1.8 2.8 parsed_1rg3 1
20 1 . . . . . 3.4 1.8 4.4 parsed_1rg3 1
21 1 . . . . . 3.4 1.8 4.4 parsed_1rg3 1
22 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
23 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
24 1 . . . . . 2.8 1.8 3.8 parsed_1rg3 1
25 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
26 1 . . . . . 2.8 1.8 2.8 parsed_1rg3 1
27 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
28 1 . . . . . 3.4 1.8 4.4 parsed_1rg3 1
29 1 . . . . . 5.0 1.8 8.0 parsed_1rg3 1
30 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
31 1 . . . . . 2.8 1.8 2.8 parsed_1rg3 1
32 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
33 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
34 1 . . . . . 5.0 1.8 9.0 parsed_1rg3 1
35 1 . . . . . 2.8 1.8 5.8 parsed_1rg3 1
36 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
37 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
38 1 . . . . . 2.8 1.8 2.8 parsed_1rg3 1
39 1 . . . . . 5.0 1.8 7.0 parsed_1rg3 1
40 1 . . . . . 2.8 1.8 3.8 parsed_1rg3 1
41 1 . . . . . 5.0 1.8 7.0 parsed_1rg3 1
42 1 . . . . . 2.8 1.8 2.8 parsed_1rg3 1
43 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
44 1 . . . . . 2.8 1.8 3.8 parsed_1rg3 1
45 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
46 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
47 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
48 1 . . . . . 2.8 1.8 2.8 parsed_1rg3 1
49 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
50 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
51 1 . . . . . 5.0 1.8 8.0 parsed_1rg3 1
52 1 . . . . . 3.4 1.8 4.4 parsed_1rg3 1
53 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
54 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
55 1 . . . . . 2.8 1.8 2.8 parsed_1rg3 1
56 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
57 1 . . . . . 2.8 1.8 2.8 parsed_1rg3 1
58 1 . . . . . 5.0 1.8 8.0 parsed_1rg3 1
59 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
60 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
61 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
62 1 . . . . . 2.8 1.8 2.8 parsed_1rg3 1
63 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
64 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
65 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
66 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
67 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
68 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
69 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
70 1 . . . . . 5.0 1.8 7.0 parsed_1rg3 1
71 1 . . . . . 5.0 1.8 7.0 parsed_1rg3 1
72 1 . . . . . 3.4 1.8 4.4 parsed_1rg3 1
73 1 . . . . . 5.0 1.8 7.0 parsed_1rg3 1
74 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
75 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
76 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
77 1 . . . . . 5.0 1.8 7.0 parsed_1rg3 1
78 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
79 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
80 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
81 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
82 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
83 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
84 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
85 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
86 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
87 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
88 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
89 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
90 1 . . . . . 5.0 1.8 8.0 parsed_1rg3 1
91 1 . . . . . 5.0 1.8 7.0 parsed_1rg3 1
92 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
93 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
94 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
95 1 . . . . . 5.0 1.8 8.0 parsed_1rg3 1
96 1 . . . . . 5.0 1.8 7.0 parsed_1rg3 1
97 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
98 1 . . . . . 5.0 1.8 7.0 parsed_1rg3 1
99 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
100 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
101 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
102 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
103 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
104 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
105 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
106 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
107 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
108 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
109 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
110 1 . . . . . 2.8 1.8 3.8 parsed_1rg3 1
111 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
112 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
113 1 . . . . . 5.0 1.8 8.0 parsed_1rg3 1
114 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
115 1 . . . . . 2.8 1.8 3.8 parsed_1rg3 1
116 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
117 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
118 1 . . . . . 5.0 1.8 9.0 parsed_1rg3 1
119 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
120 1 . . . . . 5.0 1.8 8.0 parsed_1rg3 1
121 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
122 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
123 1 . . . . . 2.8 1.8 3.8 parsed_1rg3 1
124 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 1
125 1 . . . . . 3.4 1.8 4.4 parsed_1rg3 1
126 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
127 1 . . . . . 3.4 1.8 3.4 parsed_1rg3 1
128 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
129 1 . . . . . 5.0 1.8 6.0 parsed_1rg3 1
130 1 . . . . . 5.0 1.8 5.0 parsed_1rg3 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: 22 volume: 411.77 intensity: 53.21 occur:2.0 {?}" 1 72 1 133 parsed_1rg3 1
2 "peak: 24 volume: 58.37 intensity: 4.71 occur:1.0 {?}" 2 72 2 133 parsed_1rg3 1
3 "peak: 25 volume: 9.20 intensity: 1.58 occur:1.0 {?}" 3 72 3 133 parsed_1rg3 1
4 "peak: 26 volume: 34.73 intensity: 2.99 occur:1.0 {?}" 4 72 4 133 parsed_1rg3 1
5 "peak: 27 volume: 124.63 intensity: 10.56 occur:1.0 {?}" 5 72 5 133 parsed_1rg3 1
6 "peak: 40 volume: 172.81 intensity: 10.68 occur:2.0 {?}" 6 72 6 133 parsed_1rg3 1
7 "peak: 56 volume: 17.95 intensity: 1.58 occur:2.0 {?}" 7 72 7 133 parsed_1rg3 1
8 "peak: 67 volume: 5.27 intensity: 0.72 occur:1.0 {?}" 8 72 8 133 parsed_1rg3 1
9 "peak: 98 volume: 3.77 intensity: 1.32 occur:2.0 {?}" 9 72 9 133 parsed_1rg3 1
10 "peak: 451 volume: 6.07 intensity: 1.23 occur:1.0 {?}" 10 72 10 133 parsed_1rg3 1
11 "peak: 34 volume: 3.63 intensity: 0.56 occur:2.2 {?}" 11 72 11 133 parsed_1rg3 1
12 "peak: 76 volume: 44.17 intensity: 4.30 occur:2.0 {?}" 12 72 12 133 parsed_1rg3 1
13 "peak: 109 volume: 7.94 intensity: 2.91 occur:2.1 {?}" 13 72 13 133 parsed_1rg3 1
14 "peak: 457 volume: 5.74 intensity: 0.51 occur:1.0 {?}" 14 72 14 133 parsed_1rg3 1
15 "peak: 672 volume: 44.02 intensity: 4.62 occur:1.0 {?}" 15 72 15 133 parsed_1rg3 1
16 "peak: 149 volume: 96.07 intensity: 4.92 occur:2.0 {?}" 16 72 16 133 parsed_1rg3 1
17 "peak: 152 volume: 242.90 intensity: 6.51 occur:2.0 {?}" 17 72 17 133 parsed_1rg3 1
18 "peak: 170 volume: 126.75 intensity: 7.09 occur:2.0 {?} !loosened one notch" 18 72 18 153 parsed_1rg3 1
19 "peak: 171 volume: 267.25 intensity: 7.41 occur:2.0 {?}" 19 72 19 133 parsed_1rg3 1
20 "peak: 463 volume: 152.91 intensity: 5.71 occur:1.0 {?}" 20 72 20 133 parsed_1rg3 1
21 "peak: 465 volume: 63.96 intensity: 3.82 occur:1.0 {?}" 21 72 21 133 parsed_1rg3 1
22 "peak: 623 volume: 3.25 intensity: 0.26 occur:1.0 {?}" 22 72 22 133 parsed_1rg3 1
23 "peak: 175 volume: 26.53 intensity: 1.79 occur:2.0 {?}" 23 72 23 133 parsed_1rg3 1
24 "peak: 464 volume: 263.57 intensity: 4.18 occur:2.0 {?}" 24 72 24 133 parsed_1rg3 1
25 "peak: 656 volume: 8.88 intensity: 1.19 occur:2.0 {?}" 25 72 25 133 parsed_1rg3 1
26 "peak: 21 volume: 390.97 intensity: 7.32 occur:2.0 {?}" 26 72 26 133 parsed_1rg3 1
27 "peak: 207 volume: 41.22 intensity: 1.91 occur:3.0 {?}" 27 72 27 133 parsed_1rg3 1
28 "peak: 209 volume: 109.16 intensity: 6.06 occur:2.0 {?}" 28 72 28 133 parsed_1rg3 1
29 "peak: 492 volume: 5.03 intensity: 0.57 occur:1.0 {?}" 29 72 29 133 parsed_1rg3 1
30 "peak: 500 volume: 60.34 intensity: 7.85 occur:1.0 {?}" 30 72 30 133 parsed_1rg3 1
31 "peak: 19 volume: 321.41 intensity: 7.40 occur:2.0 {?}" 31 72 31 133 parsed_1rg3 1
32 "peak: 252 volume: 2.08 intensity: 1.06 occur:2.0 {?}" 32 72 32 133 parsed_1rg3 1
33 "peak: 264 volume: 141.13 intensity: 3.39 occur:2.0 {?}" 33 72 33 133 parsed_1rg3 1
34 "peak: 285 volume: 2.85 intensity: 0.60 occur:2.1 {?}" 34 72 34 133 parsed_1rg3 1
35 "peak: 504 volume: 78.93 intensity: 3.65 occur:2.1 {?}" 35 72 35 133 parsed_1rg3 1
36 "peak: 592 volume: 129.08 intensity: 8.35 occur:1.0 {?}" 36 72 36 133 parsed_1rg3 1
37 "peak: 666 volume: 9.42 intensity: 1.08 occur:2.0 {?}" 37 72 37 133 parsed_1rg3 1
38 "peak: 266 volume: 277.69 intensity: 9.71 occur:1.0 {?}" 38 72 38 133 parsed_1rg3 1
39 "peak: 280 volume: 3.16 intensity: 1.11 occur:1.0 {?}" 39 72 39 133 parsed_1rg3 1
40 "peak: 295 volume: 239.54 intensity: 5.38 occur:3.0 {?}" 40 72 40 133 parsed_1rg3 1
41 "peak: 604 volume: 19.46 intensity: 0.88 occur:3.0 {?}" 41 72 41 133 parsed_1rg3 1
42 "peak: 10 volume: 262.29 intensity: 11.20 occur:2.0 {?}" 42 72 42 133 parsed_1rg3 1
43 "peak: 314 volume: 6.38 intensity: 1.20 occur:2.0 {?}" 43 72 43 133 parsed_1rg3 1
44 "peak: 315 volume: 233.26 intensity: 10.84 occur:2.0 {?}" 44 72 44 133 parsed_1rg3 1
45 "peak: 617 volume: 1.00 intensity: 0.49 occur:1.0 {?}" 45 72 45 133 parsed_1rg3 1
46 "peak: 620 volume: 66.34 intensity: 15.48 occur:2.0 {?}" 46 72 46 133 parsed_1rg3 1
47 "peak: 7 volume: 14.57 intensity: 1.77 occur:2.0 {?}" 47 72 47 133 parsed_1rg3 1
48 "peak: 9 volume: 276.31 intensity: 10.27 occur:2.0 {?}" 48 72 48 133 parsed_1rg3 1
49 "peak: 573 volume: 9.82 intensity: 2.07 occur:1.0 {?}" 49 72 49 133 parsed_1rg3 1
50 "peak: 600 volume: 185.12 intensity: 6.87 occur:2.0 {?} !loosened one notch" 50 72 50 153 parsed_1rg3 1
51 "peak: 628 volume: 9.73 intensity: 0.90 occur:1.1 {?}" 51 72 51 133 parsed_1rg3 1
52 "peak: 683 volume: 132.06 intensity: 5.78 occur:2.0 {?}" 52 72 52 133 parsed_1rg3 1
53 "peak: 359 volume: 25.86 intensity: 1.51 occur:2.0 {?}" 53 72 53 133 parsed_1rg3 1
54 "peak: 531 volume: 238.19 intensity: 8.56 occur:2.0 {?} !loosened one notch" 54 72 54 153 parsed_1rg3 1
55 "peak: 552 volume: 181.17 intensity: 7.89 occur:1.0 {?}" 55 72 55 133 parsed_1rg3 1
56 "peak: 571 volume: 18.82 intensity: 2.61 occur:1.0 {?}" 56 72 56 133 parsed_1rg3 1
57 "peak: 591 volume: 319.76 intensity: 7.92 occur:2.0 {?}" 57 72 57 133 parsed_1rg3 1
58 "peak: 632 volume: 6.25 intensity: 0.74 occur:1.0 {?}" 58 72 58 133 parsed_1rg3 1
59 "peak: 402 volume: 90.40 intensity: 14.02 occur:2.0 {?}" 59 72 59 133 parsed_1rg3 1
60 "peak: 416 volume: 63.76 intensity: 21.59 occur:1.0 {?}" 60 72 60 133 parsed_1rg3 1
61 "peak: 692 volume: 7.17 intensity: 0.63 occur:1.0 {?}" 61 72 61 133 parsed_1rg3 1
62 "peak: 17 volume: 301.03 intensity: 18.80 occur:2.0 {?}" 62 72 62 133 parsed_1rg3 1
63 "peak: 383 volume: 109.47 intensity: 8.06 occur:1.0 {?}" 63 72 63 133 parsed_1rg3 1
64 "peak: 384 volume: 41.42 intensity: 2.31 occur:2.0 {?}" 64 72 64 133 parsed_1rg3 1
65 "peak: 385 volume: 62.43 intensity: 3.14 occur:2.0 {?}" 65 72 65 133 parsed_1rg3 1
66 "peak: 395 volume: 34.67 intensity: 2.13 occur:2.1 {?}" 66 72 66 133 parsed_1rg3 1
67 "peak: 526 volume: 4.19 intensity: 0.37 occur:1.0 {?}" 67 72 67 133 parsed_1rg3 1
68 "peak: 527 volume: 7.64 intensity: 0.85 occur:2.0 {?}" 68 72 68 133 parsed_1rg3 1
69
;
peak: 694 volume: 1.51 intensity: 0.27 occur:1.0 {?}
Medium
;
69 72 70 10 parsed_1rg3 1
70 "peak: 643 volume: 5.50 intensity: 1.31 occur:1.0 {?}" 71 72 71 133 parsed_1rg3 1
71 "peak: 644 volume: 2.97 intensity: 1.15 occur:1.0 {?}" 72 72 72 133 parsed_1rg3 1
72 "peak: 645 volume: 53.48 intensity: 6.40 occur:1.0 {?}" 73 72 73 133 parsed_1rg3 1
73 "peak: 61 volume: 3.41 intensity: 1.18 occur:1.0 {?}" 74 72 74 133 parsed_1rg3 1
74 "peak: 466 volume: 17.23 intensity: 1.15 occur:1.0 {?}" 75 72 75 133 parsed_1rg3 1
75 "peak: 469 volume: 16.26 intensity: 1.62 occur:1.0 {?}" 76 72 76 133 parsed_1rg3 1
76 "peak: 657 volume: 6.10 intensity: 0.40 occur:1.0 {careful}" 77 72 77 139 parsed_1rg3 1
77 "peak: 100 volume: 21.32 intensity: 1.42 occur:1.0 {?}" 78 72 78 133 parsed_1rg3 1
78 "peak: 148 volume: 37.78 intensity: 1.76 occur:2.0 {?}" 79 72 79 133 parsed_1rg3 1
79 "peak: 153 volume: 43.88 intensity: 2.20 occur:1.0 {?}" 80 72 80 133 parsed_1rg3 1
80 "peak: 172 volume: 16.97 intensity: 2.10 occur:1.0 {?}" 81 72 81 133 parsed_1rg3 1
81 "peak: 467 volume: 8.99 intensity: 1.48 occur:1.0 {?}" 82 72 82 133 parsed_1rg3 1
82 "peak: 471 volume: 19.82 intensity: 1.44 occur:2.0 {?}" 83 72 83 133 parsed_1rg3 1
83 "peak: 481 volume: 26.07 intensity: 4.36 occur:2.0 {?}" 84 72 84 133 parsed_1rg3 1
84 "peak: 484 volume: 17.03 intensity: 2.45 occur:1.0 {?}" 85 72 85 133 parsed_1rg3 1
85 "peak: 486 volume: 16.09 intensity: 1.76 occur:2.0 {?}" 86 72 86 133 parsed_1rg3 1
86 "peak: 117 volume: 2.78 intensity: 0.75 occur:1.1 {?}" 87 72 87 133 parsed_1rg3 1
87 "peak: 206 volume: 109.08 intensity: 5.78 occur:2.0 {?}" 88 72 88 133 parsed_1rg3 1
88 "peak: 456 volume: 5.88 intensity: 0.66 occur:1.0 {?}" 89 72 89 133 parsed_1rg3 1
89 "peak: 662 volume: 8.73 intensity: 0.81 occur:1.0 {?}" 90 72 90 133 parsed_1rg3 1
90 "peak: 688 volume: 1.71 intensity: 0.29 occur:1.0 {?}" 91 72 91 133 parsed_1rg3 1
91 "peak: 277 volume: 13.29 intensity: 1.40 occur:2.0 {?}" 92 72 92 133 parsed_1rg3 1
92 "peak: 474 volume: 0.64 intensity: 0.32 occur:2.0 {?}" 93 72 93 133 parsed_1rg3 1
93 "peak: 479 volume: 1.04 intensity: 0.39 occur:1.0 {?}" 94 72 94 133 parsed_1rg3 1
94 "peak: 641 volume: 2.96 intensity: 1.04 occur:1.0 {?}" 95 72 95 133 parsed_1rg3 1
95 "peak: 659 volume: 2.13 intensity: 0.21 occur:1.1 {?}" 96 72 96 133 parsed_1rg3 1
96 "peak: 663 volume: 2.55 intensity: 0.47 occur:1.0 {careful}" 97 72 97 139 parsed_1rg3 1
97 "peak: 671 volume: 5.43 intensity: 0.50 occur:1.0 {?}" 98 72 98 133 parsed_1rg3 1
98 "peak: 675 volume: 2.62 intensity: 0.62 occur:2.0 {?}" 99 72 99 133 parsed_1rg3 1
99 "peak: 676 volume: 1.28 intensity: 0.50 occur:1.0 {?}" 100 72 100 133 parsed_1rg3 1
100 "peak: 216 volume: 10.77 intensity: 3.56 occur:1.0 {?}" 101 72 101 133 parsed_1rg3 1
101 "peak: 489 volume: 13.76 intensity: 1.15 occur:1.0 {?}" 102 72 102 133 parsed_1rg3 1
102 "peak: 490 volume: 21.48 intensity: 7.20 occur:1.0 {?}" 103 72 103 133 parsed_1rg3 1
103 "peak: 508 volume: 30.13 intensity: 2.61 occur:1.0 {?}" 104 72 104 133 parsed_1rg3 1
104 "peak: 665 volume: 4.93 intensity: 0.53 occur:1.0 {?}" 105 72 105 133 parsed_1rg3 1
105 "peak: 8 volume: 115.51 intensity: 5.56 occur:2.0 {?}" 106 72 106 133 parsed_1rg3 1
106 "peak: 15 volume: 64.35 intensity: 3.20 occur:2.0 {?}" 107 72 107 133 parsed_1rg3 1
107 "peak: 244 volume: 50.10 intensity: 2.21 occur:2.0 {?}" 108 72 108 133 parsed_1rg3 1
108 "peak: 339 volume: 103.16 intensity: 5.27 occur:1.1 {?}" 109 72 109 133 parsed_1rg3 1
109 "peak: 670 volume: 0.33 intensity: 0.33 occur:2.0 {?}" 110 72 110 133 parsed_1rg3 1
110 "peak: 553 volume: 378.27 intensity: 17.91 occur:1.0 {?}" 111 72 111 133 parsed_1rg3 1
111 "peak: 578 volume: 75.41 intensity: 7.21 occur:1.0 {?} !loosened on notch" 112 72 112 152 parsed_1rg3 1
112 "peak: 427 volume: 16.26 intensity: 1.41 occur:1.0 {?}" 113 72 113 133 parsed_1rg3 1
113 "peak: 517 volume: 5.45 intensity: 0.92 occur:1.0 {?}" 114 72 114 133 parsed_1rg3 1
114 "peak: 597 volume: 45.98 intensity: 9.62 occur:2.0 {?}" 115 72 115 133 parsed_1rg3 1
115 "peak: 598 volume: 196.69 intensity: 18.23 occur:1.0 {careful}" 116 72 116 139 parsed_1rg3 1
116 "peak: 681 volume: 5.74 intensity: 1.93 occur:2.0 {?}" 117 72 117 133 parsed_1rg3 1
117 "peak: 381 volume: 20.81 intensity: 1.25 occur:2.0 {?}" 118 72 118 133 parsed_1rg3 1
118 "peak: 391 volume: 4.77 intensity: 0.63 occur:2.2 {?}" 119 72 119 133 parsed_1rg3 1
119 "peak: 417 volume: 15.93 intensity: 0.87 occur:1.1 {?}" 120 72 120 133 parsed_1rg3 1
120 "peak: 518 volume: 3.07 intensity: 0.42 occur:1.0 {?}" 121 72 121 133 parsed_1rg3 1
121 "peak: 575 volume: 10.28 intensity: 1.47 occur:2.0 {?}" 122 72 122 133 parsed_1rg3 1
122 "peak: 576 volume: 21.50 intensity: 2.91 occur:2.0 {?}" 123 72 123 133 parsed_1rg3 1
123 "peak: 112 volume: 210.43 intensity: 11.98 occur:1.0 {?}" 124 72 124 133 parsed_1rg3 1
124 "peak: 382 volume: 35.07 intensity: 3.99 occur:2.0 {?}" 125 72 125 133 parsed_1rg3 1
125 "peak: 390 volume: 66.69 intensity: 7.05 occur:2.0 {?}" 126 72 126 133 parsed_1rg3 1
126 "peak: 519 volume: 7.64 intensity: 0.84 occur:1.0 {?}" 127 72 127 133 parsed_1rg3 1
127 "peak: 16 volume: 108.00 intensity: 6.05 occur:1.0 {?}" 128 72 128 133 parsed_1rg3 1
128 "peak: 386 volume: 15.71 intensity: 0.88 occur:1.0 {?}" 129 72 129 133 parsed_1rg3 1
129 "peak: 387 volume: 36.43 intensity: 1.40 occur:1.0 {?}" 130 72 130 133 parsed_1rg3 1
130
;
peak: 514 volume: 3.85 intensity: 3.85 occur:2.0 {?}
Ambiguous (these were added only in the refinement stage : initially a large set of structures that fulfilled the unambiguous restranints
and widely sampled conformational space were generated, then a subset of these structures were choosen that also fulfilled the
ambiguous restraints, then these structures were refined using the ambiguous restraints as follows)
;
131 72 134 113 parsed_1rg3 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rg3
_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_1rg3 2
1 2 . 3 . parsed_1rg3 2
1 3 . 4 . parsed_1rg3 2
1 4 . . . parsed_1rg3 2
2 1 2 . OR parsed_1rg3 2
2 2 . 3 . parsed_1rg3 2
2 3 . . . parsed_1rg3 2
3 1 2 . OR parsed_1rg3 2
3 2 . 3 . parsed_1rg3 2
3 3 . . . parsed_1rg3 2
4 1 2 . OR parsed_1rg3 2
4 2 . 3 . parsed_1rg3 2
4 3 . . . parsed_1rg3 2
5 1 2 . OR parsed_1rg3 2
5 2 . 3 . parsed_1rg3 2
5 3 . 4 . parsed_1rg3 2
5 4 . . . parsed_1rg3 2
6 1 2 . OR parsed_1rg3 2
6 2 . 3 . parsed_1rg3 2
6 3 . . . parsed_1rg3 2
7 1 2 . OR parsed_1rg3 2
7 2 . 3 . parsed_1rg3 2
7 3 . . . parsed_1rg3 2
8 1 2 . OR parsed_1rg3 2
8 2 . 3 . parsed_1rg3 2
8 3 . . . parsed_1rg3 2
9 1 2 . OR parsed_1rg3 2
9 2 . 3 . parsed_1rg3 2
9 3 . . . parsed_1rg3 2
10 1 2 . OR parsed_1rg3 2
10 2 . 3 . parsed_1rg3 2
10 3 . . . parsed_1rg3 2
11 1 2 . OR parsed_1rg3 2
11 2 . 3 . parsed_1rg3 2
11 3 . . . parsed_1rg3 2
12 1 2 . OR parsed_1rg3 2
12 2 . 3 . parsed_1rg3 2
12 3 . 4 . parsed_1rg3 2
12 4 . 5 . parsed_1rg3 2
12 5 . . . parsed_1rg3 2
13 1 2 . OR parsed_1rg3 2
13 2 . 3 . parsed_1rg3 2
13 3 . . . parsed_1rg3 2
14 1 2 . OR parsed_1rg3 2
14 2 . 3 . parsed_1rg3 2
14 3 . . . parsed_1rg3 2
15 1 2 . OR parsed_1rg3 2
15 2 . 3 . parsed_1rg3 2
15 3 . . . parsed_1rg3 2
16 1 2 . OR parsed_1rg3 2
16 2 . 3 . parsed_1rg3 2
16 3 . 4 . parsed_1rg3 2
16 4 . . . parsed_1rg3 2
17 1 2 . OR parsed_1rg3 2
17 2 . 3 . parsed_1rg3 2
17 3 . 4 . parsed_1rg3 2
17 4 . . . parsed_1rg3 2
18 1 2 . OR parsed_1rg3 2
18 2 . 3 . parsed_1rg3 2
18 3 . 4 . parsed_1rg3 2
18 4 . . . parsed_1rg3 2
19 1 2 . OR parsed_1rg3 2
19 2 . 3 . parsed_1rg3 2
19 3 . . . parsed_1rg3 2
20 1 2 . OR parsed_1rg3 2
20 2 . 3 . parsed_1rg3 2
20 3 . 4 . parsed_1rg3 2
20 4 . . . parsed_1rg3 2
21 1 2 . OR parsed_1rg3 2
21 2 . 3 . parsed_1rg3 2
21 3 . . . parsed_1rg3 2
22 1 2 . OR parsed_1rg3 2
22 2 . 3 . parsed_1rg3 2
22 3 . . . parsed_1rg3 2
23 1 2 . OR parsed_1rg3 2
23 2 . 3 . parsed_1rg3 2
23 3 . 4 . parsed_1rg3 2
23 4 . 5 . parsed_1rg3 2
23 5 . . . parsed_1rg3 2
24 1 2 . OR parsed_1rg3 2
24 2 . 3 . parsed_1rg3 2
24 3 . 4 . parsed_1rg3 2
24 4 . . . parsed_1rg3 2
25 1 2 . OR parsed_1rg3 2
25 2 . 3 . parsed_1rg3 2
25 3 . . . parsed_1rg3 2
26 1 2 . OR parsed_1rg3 2
26 2 . 3 . parsed_1rg3 2
26 3 . 4 . parsed_1rg3 2
26 4 . 5 . parsed_1rg3 2
26 5 . . . parsed_1rg3 2
27 1 2 . OR parsed_1rg3 2
27 2 . 3 . parsed_1rg3 2
27 3 . 4 . parsed_1rg3 2
27 4 . 5 . parsed_1rg3 2
27 5 . . . parsed_1rg3 2
28 1 2 . OR parsed_1rg3 2
28 2 . 3 . parsed_1rg3 2
28 3 . 4 . parsed_1rg3 2
28 4 . 5 . parsed_1rg3 2
28 5 . . . parsed_1rg3 2
29 1 2 . OR parsed_1rg3 2
29 2 . 3 . parsed_1rg3 2
29 3 . 4 . parsed_1rg3 2
29 4 . . . parsed_1rg3 2
30 1 2 . OR parsed_1rg3 2
30 2 . 3 . parsed_1rg3 2
30 3 . 4 . parsed_1rg3 2
30 4 . 5 . parsed_1rg3 2
30 5 . . . parsed_1rg3 2
31 1 2 . OR parsed_1rg3 2
31 2 . 3 . parsed_1rg3 2
31 3 . 4 . parsed_1rg3 2
31 4 . . . parsed_1rg3 2
32 1 2 . OR parsed_1rg3 2
32 2 . 3 . parsed_1rg3 2
32 3 . 4 . parsed_1rg3 2
32 4 . . . parsed_1rg3 2
33 1 2 . OR parsed_1rg3 2
33 2 . 3 . parsed_1rg3 2
33 3 . 4 . parsed_1rg3 2
33 4 . 5 . parsed_1rg3 2
33 5 . . . parsed_1rg3 2
34 1 2 . OR parsed_1rg3 2
34 2 . 3 . parsed_1rg3 2
34 3 . 4 . parsed_1rg3 2
34 4 . 5 . parsed_1rg3 2
34 5 . . . parsed_1rg3 2
35 1 2 . OR parsed_1rg3 2
35 2 . 3 . parsed_1rg3 2
35 3 . 4 . parsed_1rg3 2
35 4 . 5 . parsed_1rg3 2
35 5 . . . parsed_1rg3 2
36 1 2 . OR parsed_1rg3 2
36 2 . 3 . parsed_1rg3 2
36 3 . . . parsed_1rg3 2
37 1 2 . OR parsed_1rg3 2
37 2 . 3 . parsed_1rg3 2
37 3 . 4 . parsed_1rg3 2
37 4 . 5 . parsed_1rg3 2
37 5 . . . parsed_1rg3 2
38 1 2 . OR parsed_1rg3 2
38 2 . 3 . parsed_1rg3 2
38 3 . 4 . parsed_1rg3 2
38 4 . 5 . parsed_1rg3 2
38 5 . . . parsed_1rg3 2
39 1 2 . OR parsed_1rg3 2
39 2 . 3 . parsed_1rg3 2
39 3 . . . parsed_1rg3 2
40 1 2 . OR parsed_1rg3 2
40 2 . 3 . parsed_1rg3 2
40 3 . 4 . parsed_1rg3 2
40 4 . . . parsed_1rg3 2
41 1 2 . OR parsed_1rg3 2
41 2 . 3 . parsed_1rg3 2
41 3 . 4 . parsed_1rg3 2
41 4 . 5 . parsed_1rg3 2
41 5 . . . parsed_1rg3 2
42 1 2 . OR parsed_1rg3 2
42 2 . 3 . parsed_1rg3 2
42 3 . . . parsed_1rg3 2
43 1 2 . OR parsed_1rg3 2
43 2 . 3 . parsed_1rg3 2
43 3 . . . parsed_1rg3 2
44 1 2 . OR parsed_1rg3 2
44 2 . 3 . parsed_1rg3 2
44 3 . 4 . parsed_1rg3 2
44 4 . . . parsed_1rg3 2
45 1 2 . OR parsed_1rg3 2
45 2 . 3 . parsed_1rg3 2
45 3 . . . parsed_1rg3 2
46 1 2 . OR parsed_1rg3 2
46 2 . 3 . parsed_1rg3 2
46 3 . . . parsed_1rg3 2
47 1 2 . OR parsed_1rg3 2
47 2 . 3 . parsed_1rg3 2
47 3 . . . parsed_1rg3 2
48 1 2 . OR parsed_1rg3 2
48 2 . 3 . parsed_1rg3 2
48 3 . . . parsed_1rg3 2
49 1 2 . OR parsed_1rg3 2
49 2 . 3 . parsed_1rg3 2
49 3 . . . parsed_1rg3 2
50 1 2 . OR parsed_1rg3 2
50 2 . 3 . parsed_1rg3 2
50 3 . 4 . parsed_1rg3 2
50 4 . 5 . parsed_1rg3 2
50 5 . . . parsed_1rg3 2
51 1 2 . OR parsed_1rg3 2
51 2 . 3 . parsed_1rg3 2
51 3 . . . parsed_1rg3 2
52 1 2 . OR parsed_1rg3 2
52 2 . 3 . parsed_1rg3 2
52 3 . 4 . parsed_1rg3 2
52 4 . . . parsed_1rg3 2
53 1 2 . OR parsed_1rg3 2
53 2 . 3 . parsed_1rg3 2
53 3 . 4 . parsed_1rg3 2
53 4 . . . parsed_1rg3 2
54 1 2 . OR parsed_1rg3 2
54 2 . 3 . parsed_1rg3 2
54 3 . . . parsed_1rg3 2
55 1 2 . OR parsed_1rg3 2
55 2 . 3 . parsed_1rg3 2
55 3 . . . parsed_1rg3 2
56 1 2 . OR parsed_1rg3 2
56 2 . 3 . parsed_1rg3 2
56 3 . 4 . parsed_1rg3 2
56 4 . . . parsed_1rg3 2
57 1 2 . OR parsed_1rg3 2
57 2 . 3 . parsed_1rg3 2
57 3 . 4 . parsed_1rg3 2
57 4 . . . parsed_1rg3 2
58 1 2 . OR parsed_1rg3 2
58 2 . 3 . parsed_1rg3 2
58 3 . . . parsed_1rg3 2
59 1 2 . OR parsed_1rg3 2
59 2 . 3 . parsed_1rg3 2
59 3 . . . parsed_1rg3 2
60 1 2 . OR parsed_1rg3 2
60 2 . 3 . parsed_1rg3 2
60 3 . 4 . parsed_1rg3 2
60 4 . 5 . parsed_1rg3 2
60 5 . . . parsed_1rg3 2
61 1 2 . OR parsed_1rg3 2
61 2 . 3 . parsed_1rg3 2
61 3 . 4 . parsed_1rg3 2
61 4 . . . parsed_1rg3 2
62 1 2 . OR parsed_1rg3 2
62 2 . 3 . parsed_1rg3 2
62 3 . . . parsed_1rg3 2
63 1 2 . OR parsed_1rg3 2
63 2 . 3 . parsed_1rg3 2
63 3 . . . parsed_1rg3 2
64 1 2 . OR parsed_1rg3 2
64 2 . 3 . parsed_1rg3 2
64 3 . 4 . parsed_1rg3 2
64 4 . . . parsed_1rg3 2
65 1 2 . OR parsed_1rg3 2
65 2 . 3 . parsed_1rg3 2
65 3 . 4 . parsed_1rg3 2
65 4 . 5 . parsed_1rg3 2
65 5 . . . parsed_1rg3 2
66 1 2 . OR parsed_1rg3 2
66 2 . 3 . parsed_1rg3 2
66 3 . 4 . parsed_1rg3 2
66 4 . . . parsed_1rg3 2
67 1 2 . OR parsed_1rg3 2
67 2 . 3 . parsed_1rg3 2
67 3 . . . parsed_1rg3 2
68 1 2 . OR parsed_1rg3 2
68 2 . 3 . parsed_1rg3 2
68 3 . 4 . parsed_1rg3 2
68 4 . . . parsed_1rg3 2
69 1 2 . OR parsed_1rg3 2
69 2 . 3 . parsed_1rg3 2
69 3 . . . parsed_1rg3 2
70 1 2 . OR parsed_1rg3 2
70 2 . 3 . parsed_1rg3 2
70 3 . . . parsed_1rg3 2
71 1 2 . OR parsed_1rg3 2
71 2 . 3 . parsed_1rg3 2
71 3 . . . parsed_1rg3 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 . . . . . . . . . 2 . HB# parsed_1rg3 2
1 2 2 . . . . . . . . . 3 . HN parsed_1rg3 2
1 3 1 . . . . . . . . . 3 . HN parsed_1rg3 2
1 3 2 . . . . . . . . . 4 . HB2 parsed_1rg3 2
1 4 1 . . . . . . . . . 3 . HN parsed_1rg3 2
1 4 2 . . . . . . . . . 7 . HB# parsed_1rg3 2
2 2 1 . . . . . . . . . 2 . HN parsed_1rg3 2
2 2 2 . . . . . . . . . 3 . HN parsed_1rg3 2
2 3 1 . . . . . . . . . 4 . HN parsed_1rg3 2
2 3 2 . . . . . . . . . 3 . HN parsed_1rg3 2
3 2 1 . . . . . . . . . 2 . HB# parsed_1rg3 2
3 2 2 . . . . . . . . . 3 . HG# parsed_1rg3 2
3 3 1 . . . . . . . . . 3 . HG# parsed_1rg3 2
3 3 2 . . . . . . . . . 4 . HB1 parsed_1rg3 2
4 2 1 . . . . . . . . . 2 . HB# parsed_1rg3 2
4 2 2 . . . . . . . . . 3 . HG# parsed_1rg3 2
4 3 1 . . . . . . . . . 3 . HG# parsed_1rg3 2
4 3 2 . . . . . . . . . 4 . HB1 parsed_1rg3 2
5 2 1 . . . . . . . . . 2 . HA parsed_1rg3 2
5 2 2 . . . . . . . . . 3 . HB# parsed_1rg3 2
5 3 1 . . . . . . . . . 5 . HB# parsed_1rg3 2
5 3 2 . . . . . . . . . 2 . HA parsed_1rg3 2
5 4 1 . . . . . . . . . 6 . HB# parsed_1rg3 2
5 4 2 . . . . . . . . . 2 . HA parsed_1rg3 2
6 2 1 . . . . . . . . . 3 . HN parsed_1rg3 2
6 2 2 . . . . . . . . . 4 . HN parsed_1rg3 2
6 3 1 . . . . . . . . . 3 . HN parsed_1rg3 2
6 3 2 . . . . . . . . . 2 . HN parsed_1rg3 2
7 2 1 . . . . . . . . . 3 . HA parsed_1rg3 2
7 2 2 . . . . . . . . . 4 . HB1 parsed_1rg3 2
7 3 1 . . . . . . . . . 3 . HA parsed_1rg3 2
7 3 2 . . . . . . . . . 7 . HB# parsed_1rg3 2
8 2 1 . . . . . . . . . 3 . HG# parsed_1rg3 2
8 2 2 . . . . . . . . . 4 . HD1# parsed_1rg3 2
8 3 1 . . . . . . . . . 3 . HG# parsed_1rg3 2
8 3 2 . . . . . . . . . 7 . HD## parsed_1rg3 2
9 2 1 . . . . . . . . . 3 . HG# parsed_1rg3 2
9 2 2 . . . . . . . . . 4 . HD1# parsed_1rg3 2
9 3 1 . . . . . . . . . 3 . HG# parsed_1rg3 2
9 3 2 . . . . . . . . . 7 . HD## parsed_1rg3 2
10 2 1 . . . . . . . . . 3 . HB# parsed_1rg3 2
10 2 2 . . . . . . . . . 5 . HD1 parsed_1rg3 2
10 3 1 . . . . . . . . . 5 . HD1 parsed_1rg3 2
10 3 2 . . . . . . . . . 2 . HG# parsed_1rg3 2
11 2 1 . . . . . . . . . 3 . HB# parsed_1rg3 2
11 2 2 . . . . . . . . . 5 . HD2 parsed_1rg3 2
11 3 1 . . . . . . . . . 5 . HD2 parsed_1rg3 2
11 3 2 . . . . . . . . . 2 . HG# parsed_1rg3 2
12 2 1 . . . . . . . . . 3 . HB# parsed_1rg3 2
12 2 2 . . . . . . . . . 4 . HN parsed_1rg3 2
12 3 1 . . . . . . . . . 5 . HB# parsed_1rg3 2
12 3 2 . . . . . . . . . 4 . HN parsed_1rg3 2
12 4 1 . . . . . . . . . 3 . HB# parsed_1rg3 2
12 4 2 . . . . . . . . . 2 . HN parsed_1rg3 2
12 5 1 . . . . . . . . . 6 . HB# parsed_1rg3 2
12 5 2 . . . . . . . . . 4 . HN parsed_1rg3 2
13 2 1 . . . . . . . . . 3 . HB# parsed_1rg3 2
13 2 2 . . . . . . . . . 4 . HN parsed_1rg3 2
13 3 1 . . . . . . . . . 2 . HN parsed_1rg3 2
13 3 2 . . . . . . . . . 3 . HB# parsed_1rg3 2
14 2 1 . . . . . . . . . 3 . HG# parsed_1rg3 2
14 2 2 . . . . . . . . . 4 . HB2 parsed_1rg3 2
14 3 1 . . . . . . . . . 3 . HG# parsed_1rg3 2
14 3 2 . . . . . . . . . 7 . HB# parsed_1rg3 2
15 2 1 . . . . . . . . . 4 . HA parsed_1rg3 2
15 2 2 . . . . . . . . . 8 . HG## parsed_1rg3 2
15 3 1 . . . . . . . . . 16 . HA parsed_1rg3 2
15 3 2 . . . . . . . . . 12 . HG## parsed_1rg3 2
16 2 1 . . . . . . . . . 4 . HB1 parsed_1rg3 2
16 2 2 . . . . . . . . . 5 . HD1 parsed_1rg3 2
16 3 1 . . . . . . . . . 5 . HD1 parsed_1rg3 2
16 3 2 . . . . . . . . . 2 . HB# parsed_1rg3 2
16 4 1 . . . . . . . . . 5 . HD1 parsed_1rg3 2
16 4 2 . . . . . . . . . 7 . HB# parsed_1rg3 2
17 2 1 . . . . . . . . . 4 . HB1 parsed_1rg3 2
17 2 2 . . . . . . . . . 5 . HD2 parsed_1rg3 2
17 3 1 . . . . . . . . . 5 . HD2 parsed_1rg3 2
17 3 2 . . . . . . . . . 2 . HB# parsed_1rg3 2
17 4 1 . . . . . . . . . 5 . HD2 parsed_1rg3 2
17 4 2 . . . . . . . . . 7 . HB# parsed_1rg3 2
18 2 1 . . . . . . . . . 4 . HB1 parsed_1rg3 2
18 2 2 . . . . . . . . . 6 . HN parsed_1rg3 2
18 3 1 . . . . . . . . . 6 . HN parsed_1rg3 2
18 3 2 . . . . . . . . . 7 . HB# parsed_1rg3 2
18 4 1 . . . . . . . . . 6 . HN parsed_1rg3 2
18 4 2 . . . . . . . . . 2 . HB# parsed_1rg3 2
19 2 1 . . . . . . . . . 4 . HN parsed_1rg3 2
19 2 2 . . . . . . . . . 7 . HN parsed_1rg3 2
19 3 1 . . . . . . . . . 7 . HN parsed_1rg3 2
19 3 2 . . . . . . . . . 2 . HN parsed_1rg3 2
20 2 1 . . . . . . . . . 4 . HB2 parsed_1rg3 2
20 2 2 . . . . . . . . . 6 . HG# parsed_1rg3 2
20 3 1 . . . . . . . . . 6 . HG# parsed_1rg3 2
20 3 2 . . . . . . . . . 2 . HB# parsed_1rg3 2
20 4 1 . . . . . . . . . 6 . HG# parsed_1rg3 2
20 4 2 . . . . . . . . . 7 . HB# parsed_1rg3 2
21 2 1 . . . . . . . . . 4 . HB1 parsed_1rg3 2
21 2 2 . . . . . . . . . 6 . HG# parsed_1rg3 2
21 3 1 . . . . . . . . . 6 . HG# parsed_1rg3 2
21 3 2 . . . . . . . . . 7 . HB# parsed_1rg3 2
22 2 1 . . . . . . . . . 4 . HD2# parsed_1rg3 2
22 2 2 . . . . . . . . . 7 . HN parsed_1rg3 2
22 3 1 . . . . . . . . . 4 . HD2# parsed_1rg3 2
22 3 2 . . . . . . . . . 8 . HN parsed_1rg3 2
23 2 1 . . . . . . . . . 4 . HN parsed_1rg3 2
23 2 2 . . . . . . . . . 7 . HN parsed_1rg3 2
23 3 1 . . . . . . . . . 4 . HN parsed_1rg3 2
23 3 2 . . . . . . . . . 8 . HN parsed_1rg3 2
23 4 1 . . . . . . . . . 2 . HN parsed_1rg3 2
23 4 2 . . . . . . . . . 7 . HN parsed_1rg3 2
23 5 1 . . . . . . . . . 2 . HN parsed_1rg3 2
23 5 2 . . . . . . . . . 8 . HN parsed_1rg3 2
24 2 1 . . . . . . . . . 5 . HB# parsed_1rg3 2
24 2 2 . . . . . . . . . 7 . HN parsed_1rg3 2
24 3 1 . . . . . . . . . 6 . HB# parsed_1rg3 2
24 3 2 . . . . . . . . . 7 . HN parsed_1rg3 2
24 4 1 . . . . . . . . . 8 . HB parsed_1rg3 2
24 4 2 . . . . . . . . . 7 . HN parsed_1rg3 2
25 2 1 . . . . . . . . . 6 . HA parsed_1rg3 2
25 2 2 . . . . . . . . . 8 . HA parsed_1rg3 2
25 3 1 . . . . . . . . . 11 . HA parsed_1rg3 2
25 3 2 . . . . . . . . . 8 . HA parsed_1rg3 2
26 2 1 . . . . . . . . . 6 . HA parsed_1rg3 2
26 2 2 . . . . . . . . . 8 . HA parsed_1rg3 2
26 3 1 . . . . . . . . . 8 . HA parsed_1rg3 2
26 3 2 . . . . . . . . . 7 . HA parsed_1rg3 2
26 4 1 . . . . . . . . . 8 . HA parsed_1rg3 2
26 4 2 . . . . . . . . . 9 . HA parsed_1rg3 2
26 5 1 . . . . . . . . . 8 . HA parsed_1rg3 2
26 5 2 . . . . . . . . . 5 . HA parsed_1rg3 2
27 2 1 . . . . . . . . . 7 . HB# parsed_1rg3 2
27 2 2 . . . . . . . . . 9 . HB# parsed_1rg3 2
27 3 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
27 3 2 . . . . . . . . . 11 . HB# parsed_1rg3 2
27 4 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
27 4 2 . . . . . . . . . 10 . HG# parsed_1rg3 2
27 5 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
27 5 2 . . . . . . . . . 5 . HG# parsed_1rg3 2
28 2 1 . . . . . . . . . 7 . HB# parsed_1rg3 2
28 2 2 . . . . . . . . . 9 . HB# parsed_1rg3 2
28 3 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
28 3 2 . . . . . . . . . 11 . HB# parsed_1rg3 2
28 4 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
28 4 2 . . . . . . . . . 10 . HG# parsed_1rg3 2
28 5 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
28 5 2 . . . . . . . . . 5 . HG# parsed_1rg3 2
29 2 1 . . . . . . . . . 7 . HD## parsed_1rg3 2
29 2 2 . . . . . . . . . 9 . HB# parsed_1rg3 2
29 3 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
29 3 2 . . . . . . . . . 11 . HD## parsed_1rg3 2
29 4 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
29 4 2 . . . . . . . . . 8 . HG## parsed_1rg3 2
30 2 1 . . . . . . . . . 8 . HB parsed_1rg3 2
30 2 2 . . . . . . . . . 10 . HE parsed_1rg3 2
30 3 1 . . . . . . . . . 14 . HE parsed_1rg3 2
30 3 2 . . . . . . . . . 12 . HB parsed_1rg3 2
30 4 1 . . . . . . . . . 10 . HE parsed_1rg3 2
30 4 2 . . . . . . . . . 12 . HB parsed_1rg3 2
30 5 1 . . . . . . . . . 10 . HE parsed_1rg3 2
30 5 2 . . . . . . . . . 6 . HB# parsed_1rg3 2
31 2 1 . . . . . . . . . 8 . HA parsed_1rg3 2
31 2 2 . . . . . . . . . 10 . HN parsed_1rg3 2
31 3 1 . . . . . . . . . 8 . HA parsed_1rg3 2
31 3 2 . . . . . . . . . 13 . HN parsed_1rg3 2
31 4 1 . . . . . . . . . 8 . HA parsed_1rg3 2
31 4 2 . . . . . . . . . 14 . HN parsed_1rg3 2
32 2 1 . . . . . . . . . 8 . HB parsed_1rg3 2
32 2 2 . . . . . . . . . 9 . HN parsed_1rg3 2
32 3 1 . . . . . . . . . 9 . HN parsed_1rg3 2
32 3 2 . . . . . . . . . 5 . HB# parsed_1rg3 2
32 4 1 . . . . . . . . . 9 . HN parsed_1rg3 2
32 4 2 . . . . . . . . . 6 . HB# parsed_1rg3 2
33 2 1 . . . . . . . . . 8 . HB parsed_1rg3 2
33 2 2 . . . . . . . . . 9 . HB# parsed_1rg3 2
33 3 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
33 3 2 . . . . . . . . . 12 . HB parsed_1rg3 2
33 4 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
33 4 2 . . . . . . . . . 5 . HB# parsed_1rg3 2
33 5 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
33 5 2 . . . . . . . . . 6 . HB# parsed_1rg3 2
34 2 1 . . . . . . . . . 8 . HB parsed_1rg3 2
34 2 2 . . . . . . . . . 9 . HB# parsed_1rg3 2
34 3 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
34 3 2 . . . . . . . . . 5 . HB# parsed_1rg3 2
34 4 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
34 4 2 . . . . . . . . . 12 . HB parsed_1rg3 2
34 5 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
34 5 2 . . . . . . . . . 6 . HB# parsed_1rg3 2
35 2 1 . . . . . . . . . 8 . HA parsed_1rg3 2
35 2 2 . . . . . . . . . 10 . HA parsed_1rg3 2
35 3 1 . . . . . . . . . 8 . HA parsed_1rg3 2
35 3 2 . . . . . . . . . 9 . HA parsed_1rg3 2
35 4 1 . . . . . . . . . 8 . HA parsed_1rg3 2
35 4 2 . . . . . . . . . 7 . HA parsed_1rg3 2
35 5 1 . . . . . . . . . 8 . HA parsed_1rg3 2
35 5 2 . . . . . . . . . 5 . HA parsed_1rg3 2
36 2 1 . . . . . . . . . 8 . HA parsed_1rg3 2
36 2 2 . . . . . . . . . 10 . HN parsed_1rg3 2
36 3 1 . . . . . . . . . 14 . HN parsed_1rg3 2
36 3 2 . . . . . . . . . 8 . HA parsed_1rg3 2
37 2 1 . . . . . . . . . 8 . HB parsed_1rg3 2
37 2 2 . . . . . . . . . 9 . HB# parsed_1rg3 2
37 3 1 . . . . . . . . . 5 . HB# parsed_1rg3 2
37 3 2 . . . . . . . . . 9 . HB# parsed_1rg3 2
37 4 1 . . . . . . . . . 12 . HB parsed_1rg3 2
37 4 2 . . . . . . . . . 9 . HB# parsed_1rg3 2
37 5 1 . . . . . . . . . 6 . HB# parsed_1rg3 2
37 5 2 . . . . . . . . . 9 . HB# parsed_1rg3 2
38 2 1 . . . . . . . . . 8 . HB parsed_1rg3 2
38 2 2 . . . . . . . . . 9 . HB# parsed_1rg3 2
38 3 1 . . . . . . . . . 12 . HB parsed_1rg3 2
38 3 2 . . . . . . . . . 9 . HB# parsed_1rg3 2
38 4 1 . . . . . . . . . 5 . HB# parsed_1rg3 2
38 4 2 . . . . . . . . . 9 . HB# parsed_1rg3 2
38 5 1 . . . . . . . . . 6 . HB# parsed_1rg3 2
38 5 2 . . . . . . . . . 9 . HB# parsed_1rg3 2
39 2 1 . . . . . . . . . 8 . HB parsed_1rg3 2
39 2 2 . . . . . . . . . 10 . HD# parsed_1rg3 2
39 3 1 . . . . . . . . . 14 . HD# parsed_1rg3 2
39 3 2 . . . . . . . . . 12 . HB parsed_1rg3 2
40 2 1 . . . . . . . . . 8 . HB parsed_1rg3 2
40 2 2 . . . . . . . . . 9 . HB# parsed_1rg3 2
40 3 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
40 3 2 . . . . . . . . . 6 . HB# parsed_1rg3 2
40 4 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
40 4 2 . . . . . . . . . 12 . HB parsed_1rg3 2
41 2 1 . . . . . . . . . 8 . HN parsed_1rg3 2
41 2 2 . . . . . . . . . 10 . HD# parsed_1rg3 2
41 3 1 . . . . . . . . . 10 . HD# parsed_1rg3 2
41 3 2 . . . . . . . . . 7 . HN parsed_1rg3 2
41 4 1 . . . . . . . . . 14 . HD# parsed_1rg3 2
41 4 2 . . . . . . . . . 8 . HN parsed_1rg3 2
41 5 1 . . . . . . . . . 14 . HD# parsed_1rg3 2
41 5 2 . . . . . . . . . 7 . HN parsed_1rg3 2
42 2 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
42 2 2 . . . . . . . . . 12 . HN parsed_1rg3 2
42 3 1 . . . . . . . . . 12 . HN parsed_1rg3 2
42 3 2 . . . . . . . . . 15 . HB# parsed_1rg3 2
43 2 1 . . . . . . . . . 9 . HB# parsed_1rg3 2
43 2 2 . . . . . . . . . 12 . HN parsed_1rg3 2
43 3 1 . . . . . . . . . 12 . HN parsed_1rg3 2
43 3 2 . . . . . . . . . 15 . HB# parsed_1rg3 2
44 2 1 . . . . . . . . . 10 . HG# parsed_1rg3 2
44 2 2 . . . . . . . . . 12 . HN parsed_1rg3 2
44 3 1 . . . . . . . . . 12 . HN parsed_1rg3 2
44 3 2 . . . . . . . . . 14 . HG# parsed_1rg3 2
44 4 1 . . . . . . . . . 12 . HN parsed_1rg3 2
44 4 2 . . . . . . . . . 13 . HB# parsed_1rg3 2
45 2 1 . . . . . . . . . 10 . HA parsed_1rg3 2
45 2 2 . . . . . . . . . 13 . HB# parsed_1rg3 2
45 3 1 . . . . . . . . . 13 . HB# parsed_1rg3 2
45 3 2 . . . . . . . . . 9 . HA parsed_1rg3 2
46 2 1 . . . . . . . . . 10 . HB# parsed_1rg3 2
46 2 2 . . . . . . . . . 12 . HN parsed_1rg3 2
46 3 1 . . . . . . . . . 12 . HN parsed_1rg3 2
46 3 2 . . . . . . . . . 14 . HB# parsed_1rg3 2
47 2 1 . . . . . . . . . 10 . HB# parsed_1rg3 2
47 2 2 . . . . . . . . . 12 . HN parsed_1rg3 2
47 3 1 . . . . . . . . . 12 . HN parsed_1rg3 2
47 3 2 . . . . . . . . . 14 . HB# parsed_1rg3 2
48 2 1 . . . . . . . . . 10 . HA parsed_1rg3 2
48 2 2 . . . . . . . . . 12 . HA parsed_1rg3 2
48 3 1 . . . . . . . . . 12 . HA parsed_1rg3 2
48 3 2 . . . . . . . . . 11 . HA parsed_1rg3 2
49 2 1 . . . . . . . . . 10 . HA parsed_1rg3 2
49 2 2 . . . . . . . . . 12 . HG## parsed_1rg3 2
49 3 1 . . . . . . . . . 12 . HG## parsed_1rg3 2
49 3 2 . . . . . . . . . 9 . HA parsed_1rg3 2
50 2 1 . . . . . . . . . 10 . HA parsed_1rg3 2
50 2 2 . . . . . . . . . 12 . HG## parsed_1rg3 2
50 3 1 . . . . . . . . . 9 . HA parsed_1rg3 2
50 3 2 . . . . . . . . . 8 . HG## parsed_1rg3 2
50 4 1 . . . . . . . . . 10 . HA parsed_1rg3 2
50 4 2 . . . . . . . . . 8 . HG## parsed_1rg3 2
50 5 1 . . . . . . . . . 9 . HA parsed_1rg3 2
50 5 2 . . . . . . . . . 12 . HG## parsed_1rg3 2
51 2 1 . . . . . . . . . 11 . HB# parsed_1rg3 2
51 2 2 . . . . . . . . . 12 . HN parsed_1rg3 2
51 3 1 . . . . . . . . . 12 . HN parsed_1rg3 2
51 3 2 . . . . . . . . . 10 . HG# parsed_1rg3 2
52 2 1 . . . . . . . . . 11 . HN parsed_1rg3 2
52 2 2 . . . . . . . . . 12 . HB parsed_1rg3 2
52 3 1 . . . . . . . . . 11 . HN parsed_1rg3 2
52 3 2 . . . . . . . . . 8 . HB parsed_1rg3 2
52 4 1 . . . . . . . . . 11 . HN parsed_1rg3 2
52 4 2 . . . . . . . . . 6 . HB# parsed_1rg3 2
53 2 1 . . . . . . . . . 11 . HB# parsed_1rg3 2
53 2 2 . . . . . . . . . 13 . HN parsed_1rg3 2
53 3 1 . . . . . . . . . 15 . HN parsed_1rg3 2
53 3 2 . . . . . . . . . 11 . HB# parsed_1rg3 2
53 4 1 . . . . . . . . . 13 . HN parsed_1rg3 2
53 4 2 . . . . . . . . . 10 . HG# parsed_1rg3 2
54 2 1 . . . . . . . . . 11 . HA parsed_1rg3 2
54 2 2 . . . . . . . . . 13 . HN parsed_1rg3 2
54 3 1 . . . . . . . . . 11 . HA parsed_1rg3 2
54 3 2 . . . . . . . . . 14 . HN parsed_1rg3 2
55 2 1 . . . . . . . . . 12 . HN parsed_1rg3 2
55 2 2 . . . . . . . . . 13 . HN parsed_1rg3 2
55 3 1 . . . . . . . . . 12 . HN parsed_1rg3 2
55 3 2 . . . . . . . . . 14 . HN parsed_1rg3 2
56 2 1 . . . . . . . . . 12 . HG## parsed_1rg3 2
56 2 2 . . . . . . . . . 14 . HA parsed_1rg3 2
56 3 1 . . . . . . . . . 14 . HA parsed_1rg3 2
56 3 2 . . . . . . . . . 13 . HD## parsed_1rg3 2
56 4 1 . . . . . . . . . 14 . HA parsed_1rg3 2
56 4 2 . . . . . . . . . 11 . HD## parsed_1rg3 2
57 2 1 . . . . . . . . . 12 . HG## parsed_1rg3 2
57 2 2 . . . . . . . . . 16 . HN parsed_1rg3 2
57 3 1 . . . . . . . . . 16 . HN parsed_1rg3 2
57 3 2 . . . . . . . . . 13 . HD## parsed_1rg3 2
57 4 1 . . . . . . . . . 16 . HN parsed_1rg3 2
57 4 2 . . . . . . . . . 11 . HD## parsed_1rg3 2
58 2 1 . . . . . . . . . 12 . HG## parsed_1rg3 2
58 2 2 . . . . . . . . . 13 . HN parsed_1rg3 2
58 3 1 . . . . . . . . . 15 . HN parsed_1rg3 2
58 3 2 . . . . . . . . . 12 . HG## parsed_1rg3 2
59 2 1 . . . . . . . . . 12 . HA parsed_1rg3 2
59 2 2 . . . . . . . . . 13 . HD## parsed_1rg3 2
59 3 1 . . . . . . . . . 12 . HA parsed_1rg3 2
59 3 2 . . . . . . . . . 11 . HD## parsed_1rg3 2
60 2 1 . . . . . . . . . 12 . HG## parsed_1rg3 2
60 2 2 . . . . . . . . . 14 . HD# parsed_1rg3 2
60 3 1 . . . . . . . . . 14 . HD# parsed_1rg3 2
60 3 2 . . . . . . . . . 13 . HD## parsed_1rg3 2
60 4 1 . . . . . . . . . 10 . HD# parsed_1rg3 2
60 4 2 . . . . . . . . . 11 . HD## parsed_1rg3 2
60 5 1 . . . . . . . . . 10 . HD# parsed_1rg3 2
60 5 2 . . . . . . . . . 7 . HD## parsed_1rg3 2
61 2 1 . . . . . . . . . 12 . HG## parsed_1rg3 2
61 2 2 . . . . . . . . . 13 . HN parsed_1rg3 2
61 3 1 . . . . . . . . . 12 . HG## parsed_1rg3 2
61 3 2 . . . . . . . . . 14 . HN parsed_1rg3 2
61 4 1 . . . . . . . . . 12 . HG## parsed_1rg3 2
61 4 2 . . . . . . . . . 15 . HN parsed_1rg3 2
62 2 1 . . . . . . . . . 13 . HN parsed_1rg3 2
62 2 2 . . . . . . . . . 14 . HD# parsed_1rg3 2
62 3 1 . . . . . . . . . 15 . HN parsed_1rg3 2
62 3 2 . . . . . . . . . 14 . HD# parsed_1rg3 2
63 2 1 . . . . . . . . . 13 . HN parsed_1rg3 2
63 2 2 . . . . . . . . . 14 . HD# parsed_1rg3 2
63 3 1 . . . . . . . . . 15 . HN parsed_1rg3 2
63 3 2 . . . . . . . . . 14 . HD# parsed_1rg3 2
64 2 1 . . . . . . . . . 13 . HB# parsed_1rg3 2
64 2 2 . . . . . . . . . 14 . HN parsed_1rg3 2
64 3 1 . . . . . . . . . 14 . HN parsed_1rg3 2
64 3 2 . . . . . . . . . 11 . HB# parsed_1rg3 2
64 4 1 . . . . . . . . . 10 . HN parsed_1rg3 2
64 4 2 . . . . . . . . . 13 . HB# parsed_1rg3 2
65 2 1 . . . . . . . . . 13 . HD## parsed_1rg3 2
65 2 2 . . . . . . . . . 14 . HE parsed_1rg3 2
65 3 1 . . . . . . . . . 10 . HE parsed_1rg3 2
65 3 2 . . . . . . . . . 11 . HD## parsed_1rg3 2
65 4 1 . . . . . . . . . 14 . HE parsed_1rg3 2
65 4 2 . . . . . . . . . 12 . HG## parsed_1rg3 2
65 5 1 . . . . . . . . . 2 . HE parsed_1rg3 2
65 5 2 . . . . . . . . . 4 . HD1# parsed_1rg3 2
66 2 1 . . . . . . . . . 13 . HD## parsed_1rg3 2
66 2 2 . . . . . . . . . 14 . HD# parsed_1rg3 2
66 3 1 . . . . . . . . . 14 . HD# parsed_1rg3 2
66 3 2 . . . . . . . . . 12 . HG## parsed_1rg3 2
66 4 1 . . . . . . . . . 14 . HD# parsed_1rg3 2
66 4 2 . . . . . . . . . 11 . HD## parsed_1rg3 2
67 2 1 . . . . . . . . . 14 . HB# parsed_1rg3 2
67 2 2 . . . . . . . . . 15 . HN parsed_1rg3 2
67 3 1 . . . . . . . . . 13 . HN parsed_1rg3 2
67 3 2 . . . . . . . . . 14 . HB# parsed_1rg3 2
68 2 1 . . . . . . . . . 14 . HE parsed_1rg3 2
68 2 2 . . . . . . . . . 15 . HN parsed_1rg3 2
68 3 1 . . . . . . . . . 13 . HN parsed_1rg3 2
68 3 2 . . . . . . . . . 14 . HE parsed_1rg3 2
68 4 1 . . . . . . . . . 13 . HN parsed_1rg3 2
68 4 2 . . . . . . . . . 10 . HE parsed_1rg3 2
69 2 1 . . . . . . . . . 14 . HN parsed_1rg3 2
69 2 2 . . . . . . . . . 14 . HE parsed_1rg3 2
69 3 1 . . . . . . . . . 10 . HN parsed_1rg3 2
69 3 2 . . . . . . . . . 10 . HE parsed_1rg3 2
70 2 1 . . . . . . . . . 15 . HN parsed_1rg3 2
70 2 2 . . . . . . . . . 16 . HA parsed_1rg3 2
70 3 1 . . . . . . . . . 16 . HA parsed_1rg3 2
70 3 2 . . . . . . . . . 13 . HN parsed_1rg3 2
71 2 1 . . . . . . . . . 15 . HN parsed_1rg3 2
71 2 2 . . . . . . . . . 16 . HA parsed_1rg3 2
71 3 1 . . . . . . . . . 13 . HN parsed_1rg3 2
71 3 2 . . . . . . . . . 16 . HA parsed_1rg3 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 7.0 parsed_1rg3 2
1 3 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
1 4 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
2 2 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
2 3 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
3 2 . . . . . 3.4 1.8 6.4 parsed_1rg3 2
3 3 . . . . . 3.4 1.8 6.4 parsed_1rg3 2
4 2 . . . . . 5.0 1.8 8.0 parsed_1rg3 2
4 3 . . . . . 5.0 1.8 8.0 parsed_1rg3 2
5 2 . . . . . 3.4 1.8 6.4 parsed_1rg3 2
5 3 . . . . . 3.4 1.8 6.4 parsed_1rg3 2
5 4 . . . . . 3.4 1.8 6.4 parsed_1rg3 2
6 2 . . . . . 3.4 1.8 3.4 parsed_1rg3 2
6 3 . . . . . 3.4 1.8 3.4 parsed_1rg3 2
7 2 . . . . . 5.0 1.8 6.0 parsed_1rg3 2
7 3 . . . . . 5.0 1.8 6.0 parsed_1rg3 2
8 2 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
8 3 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
9 2 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
9 3 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
10 2 . . . . . 3.4 1.8 5.4 parsed_1rg3 2
10 3 . . . . . 3.4 1.8 5.4 parsed_1rg3 2
11 2 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
11 3 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
12 2 . . . . . 2.8 1.8 6.8 parsed_1rg3 2
12 3 . . . . . 2.8 1.8 6.8 parsed_1rg3 2
12 4 . . . . . 2.8 1.8 6.8 parsed_1rg3 2
12 5 . . . . . 2.8 1.8 6.8 parsed_1rg3 2
13 2 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
13 3 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
14 2 . . . . . 5.0 1.8 8.0 parsed_1rg3 2
14 3 . . . . . 5.0 1.8 8.0 parsed_1rg3 2
15 2 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
15 3 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
16 2 . . . . . 3.4 1.8 5.4 parsed_1rg3 2
16 3 . . . . . 3.4 1.8 5.4 parsed_1rg3 2
16 4 . . . . . 3.4 1.8 5.4 parsed_1rg3 2
17 2 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
17 3 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
17 4 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
18 2 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
18 3 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
18 4 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
19 2 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
19 3 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
20 2 . . . . . 5.0 1.8 10.0 parsed_1rg3 2
20 3 . . . . . 5.0 1.8 10.0 parsed_1rg3 2
20 4 . . . . . 5.0 1.8 10.0 parsed_1rg3 2
21 2 . . . . . 5.0 1.8 8.0 parsed_1rg3 2
21 3 . . . . . 5.0 1.8 8.0 parsed_1rg3 2
22 2 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
22 3 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
23 2 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
23 3 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
23 4 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
23 5 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
24 2 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
24 3 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
24 4 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
25 2 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
25 3 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
26 2 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
26 3 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
26 4 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
26 5 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
27 2 . . . . . 5.0 1.8 13.0 parsed_1rg3 2
27 3 . . . . . 5.0 1.8 13.0 parsed_1rg3 2
27 4 . . . . . 5.0 1.8 13.0 parsed_1rg3 2
27 5 . . . . . 5.0 1.8 13.0 parsed_1rg3 2
28 2 . . . . . 5.0 1.8 13.0 parsed_1rg3 2
28 3 . . . . . 5.0 1.8 13.0 parsed_1rg3 2
28 4 . . . . . 5.0 1.8 13.0 parsed_1rg3 2
28 5 . . . . . 5.0 1.8 13.0 parsed_1rg3 2
29 2 . . . . . 5.0 1.8 17.0 parsed_1rg3 2
29 3 . . . . . 5.0 1.8 17.0 parsed_1rg3 2
29 4 . . . . . 5.0 1.8 17.0 parsed_1rg3 2
30 2 . . . . . 5.0 1.8 6.0 parsed_1rg3 2
30 3 . . . . . 5.0 1.8 6.0 parsed_1rg3 2
30 4 . . . . . 5.0 1.8 6.0 parsed_1rg3 2
30 5 . . . . . 5.0 1.8 6.0 parsed_1rg3 2
31 2 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
31 3 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
31 4 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
32 2 . . . . . 2.8 1.8 4.8 parsed_1rg3 2
32 3 . . . . . 2.8 1.8 4.8 parsed_1rg3 2
32 4 . . . . . 2.8 1.8 4.8 parsed_1rg3 2
33 2 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
33 3 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
33 4 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
33 5 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
34 2 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
34 3 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
34 4 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
34 5 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
35 2 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
35 3 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
35 4 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
35 5 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
36 2 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
36 3 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
37 2 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
37 3 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
37 4 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
37 5 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
38 2 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
38 3 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
38 4 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
38 5 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
39 2 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
39 3 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
40 2 . . . . . 5.0 1.8 9.0 parsed_1rg3 2
40 3 . . . . . 5.0 1.8 9.0 parsed_1rg3 2
40 4 . . . . . 5.0 1.8 9.0 parsed_1rg3 2
41 2 . . . . . 5.0 1.8 9.0 parsed_1rg3 2
41 3 . . . . . 5.0 1.8 9.0 parsed_1rg3 2
41 4 . . . . . 5.0 1.8 9.0 parsed_1rg3 2
41 5 . . . . . 5.0 1.8 9.0 parsed_1rg3 2
42 2 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
42 3 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
43 2 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
43 3 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
44 2 . . . . . 5.0 1.8 8.0 parsed_1rg3 2
44 3 . . . . . 5.0 1.8 8.0 parsed_1rg3 2
44 4 . . . . . 5.0 1.8 8.0 parsed_1rg3 2
45 2 . . . . . 3.4 1.8 5.4 parsed_1rg3 2
45 3 . . . . . 3.4 1.8 5.4 parsed_1rg3 2
46 2 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
46 3 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
47 2 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
47 3 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
48 2 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
48 3 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
49 2 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
49 3 . . . . . 5.0 1.8 11.0 parsed_1rg3 2
50 2 . . . . . 3.4 1.8 15.4 parsed_1rg3 2
50 3 . . . . . 3.4 1.8 15.4 parsed_1rg3 2
50 4 . . . . . 3.4 1.8 15.4 parsed_1rg3 2
50 5 . . . . . 3.4 1.8 15.4 parsed_1rg3 2
51 2 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
51 3 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
52 2 . . . . . 5.0 1.8 6.0 parsed_1rg3 2
52 3 . . . . . 5.0 1.8 6.0 parsed_1rg3 2
52 4 . . . . . 5.0 1.8 6.0 parsed_1rg3 2
53 2 . . . . . 3.4 1.8 6.4 parsed_1rg3 2
53 3 . . . . . 3.4 1.8 6.4 parsed_1rg3 2
53 4 . . . . . 3.4 1.8 6.4 parsed_1rg3 2
54 2 . . . . . 2.8 1.8 2.8 parsed_1rg3 2
54 3 . . . . . 2.8 1.8 2.8 parsed_1rg3 2
55 2 . . . . . 2.8 1.8 2.8 parsed_1rg3 2
55 3 . . . . . 2.8 1.8 2.8 parsed_1rg3 2
56 2 . . . . . 2.8 1.8 11.8 parsed_1rg3 2
56 3 . . . . . 2.8 1.8 11.8 parsed_1rg3 2
56 4 . . . . . 2.8 1.8 11.8 parsed_1rg3 2
57 2 . . . . . 5.0 1.8 14.0 parsed_1rg3 2
57 3 . . . . . 5.0 1.8 14.0 parsed_1rg3 2
57 4 . . . . . 5.0 1.8 14.0 parsed_1rg3 2
58 2 . . . . . 3.4 1.8 9.4 parsed_1rg3 2
58 3 . . . . . 3.4 1.8 9.4 parsed_1rg3 2
59 2 . . . . . 3.4 1.8 9.4 parsed_1rg3 2
59 3 . . . . . 3.4 1.8 9.4 parsed_1rg3 2
60 2 . . . . . 2.8 1.8 18.8 parsed_1rg3 2
60 3 . . . . . 2.8 1.8 18.8 parsed_1rg3 2
60 4 . . . . . 2.8 1.8 18.8 parsed_1rg3 2
60 5 . . . . . 2.8 1.8 18.8 parsed_1rg3 2
61 2 . . . . . 5.0 1.8 14.0 parsed_1rg3 2
61 3 . . . . . 5.0 1.8 14.0 parsed_1rg3 2
61 4 . . . . . 5.0 1.8 14.0 parsed_1rg3 2
62 2 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
62 3 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
63 2 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
63 3 . . . . . 5.0 1.8 7.0 parsed_1rg3 2
64 2 . . . . . 3.4 1.8 6.4 parsed_1rg3 2
64 3 . . . . . 3.4 1.8 6.4 parsed_1rg3 2
64 4 . . . . . 3.4 1.8 6.4 parsed_1rg3 2
65 2 . . . . . 5.0 1.8 15.0 parsed_1rg3 2
65 3 . . . . . 5.0 1.8 15.0 parsed_1rg3 2
65 4 . . . . . 5.0 1.8 15.0 parsed_1rg3 2
65 5 . . . . . 5.0 1.8 15.0 parsed_1rg3 2
66 2 . . . . . 5.0 1.8 17.0 parsed_1rg3 2
66 3 . . . . . 5.0 1.8 17.0 parsed_1rg3 2
66 4 . . . . . 5.0 1.8 17.0 parsed_1rg3 2
67 2 . . . . . 3.4 1.8 5.4 parsed_1rg3 2
67 3 . . . . . 3.4 1.8 5.4 parsed_1rg3 2
68 2 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
68 3 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
68 4 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
69 2 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
69 3 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
70 2 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
70 3 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
71 2 . . . . . 5.0 1.8 5.0 parsed_1rg3 2
71 3 . . . . . 5.0 1.8 5.0 parsed_1rg3 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: 1 volume: 5.81 intensity: 1.35 {?}" 1 72 1 123 parsed_1rg3 2
2 "peak: 6 volume: 16.86 intensity: 5.62 {?}" 4 72 4 124 parsed_1rg3 2
3 "peak: 93 volume: 75.49 intensity: 2.70 {?}" 6 72 6 124 parsed_1rg3 2
4 "peak: 103 volume: 11.17 intensity: 1.38 {?}" 8 72 8 124 parsed_1rg3 2
5 "peak: 589 volume: 122.23 intensity: 3.72 {?}" 10 72 10 123 parsed_1rg3 2
6 "peak: 5 volume: 117.85 intensity: 4.02 {?}" 13 72 13 124 parsed_1rg3 2
7 "peak: 83 volume: 9.28 intensity: 2.01 {?}" 15 72 15 124 parsed_1rg3 2
8 "peak: 92 volume: 7.62 intensity: 0.44 {?}" 17 72 17 124 parsed_1rg3 2
9 "peak: 104 volume: 3.50 intensity: 0.37 {?}" 19 72 19 124 parsed_1rg3 2
10 "peak: 156 volume: 102.10 intensity: 3.66 {?}" 21 72 21 124 parsed_1rg3 2
11 "peak: 164 volume: 44.82 intensity: 3.07 {?}" 23 72 23 124 parsed_1rg3 2
12 "peak: 595 volume: 243.23 intensity: 7.93 {?}" 25 72 25 123 parsed_1rg3 2
13 "peak: 634 volume: 46.73 intensity: 2.52 {?}" 29 72 29 124 parsed_1rg3 2
14 "peak: 650 volume: 1.40 intensity: 0.18 {?}" 31 72 31 124 parsed_1rg3 2
15 "peak: 113 volume: 1.52 intensity: 0.52 {?}" 33 72 33 124 parsed_1rg3 2
16 "peak: 158 volume: 70.54 intensity: 7.15 {?}" 35 72 35 123 parsed_1rg3 2
17 "peak: 161 volume: 21.35 intensity: 7.22 {?}" 38 72 38 123 parsed_1rg3 2
18 "peak: 180 volume: 16.16 intensity: 0.97 {?}" 41 72 41 123 parsed_1rg3 2
19 "peak: 217 volume: 25.68 intensity: 0.92 {?}" 44 72 44 124 parsed_1rg3 2
20 "peak: 482 volume: 6.16 intensity: 1.38 {?}" 46 72 46 123 parsed_1rg3 2
21 "peak: 483 volume: 6.00 intensity: 1.24 {?}" 49 72 49 124 parsed_1rg3 2
22 "peak: 624 volume: 0.77 intensity: 0.28 {?}" 51 72 51 124 parsed_1rg3 2
23 "peak: 652 volume: 1.67 intensity: 0.41 {?}" 53 72 53 123 parsed_1rg3 2
24 "peak: 593 volume: 30.96 intensity: 10.30 {?}" 57 72 57 123 parsed_1rg3 2
25 "peak: 134 volume: 40.28 intensity: 3.60 {?}" 60 72 60 124 parsed_1rg3 2
26 "peak: 248 volume: 34.18 intensity: 2.76 {?}" 62 72 62 123 parsed_1rg3 2
27 "peak: 281 volume: 6.90 intensity: 0.57 {?}" 66 72 66 123 parsed_1rg3 2
28 "peak: 293 volume: 3.30 intensity: 0.58 {?}" 70 72 70 123 parsed_1rg3 2
29 "peak: 506 volume: 0.93 intensity: 0.14 {?}" 74 73 74 124 parsed_1rg3 2
30 "peak: 65 volume: 9.43 intensity: 0.40 {?}" 77 72 77 123 parsed_1rg3 2
31 "peak: 247 volume: 7.94 intensity: 1.07 {?}" 81 72 81 123 parsed_1rg3 2
32 "peak: 265 volume: 444.51 intensity: 10.19 {?}" 84 72 84 123 parsed_1rg3 2
33 "peak: 278 volume: 28.18 intensity: 1.96 {?}" 87 72 87 123 parsed_1rg3 2
34 "peak: 291 volume: 8.83 intensity: 1.98 {?}" 91 72 91 123 parsed_1rg3 2
35 "peak: 501 volume: 20.76 intensity: 2.48 {?}" 95 72 95 123 parsed_1rg3 2
36 "peak: 543 volume: 9.34 intensity: 1.38 {?}" 99 72 99 124 parsed_1rg3 2
37 "peak: 586 volume: 29.34 intensity: 1.83 {?}" 101 72 101 123 parsed_1rg3 2
38 "peak: 587 volume: 26.43 intensity: 1.73 {?}" 105 72 105 123 parsed_1rg3 2
39 "peak: 608 volume: 2.60 intensity: 0.87 {?}" 109 72 109 124 parsed_1rg3 2
40 "peak: 622 volume: 4.29 intensity: 0.89 {?}" 111 72 111 123 parsed_1rg3 2
41 "peak: 673 volume: 0.49 intensity: 0.49 {?}" 114 72 114 123 parsed_1rg3 2
42 "peak: 562 volume: 2.21 intensity: 0.35 {?}" 118 72 118 124 parsed_1rg3 2
43 "peak: 563 volume: 1.80 intensity: 0.34 {?}" 120 72 120 124 parsed_1rg3 2
44 "peak: 343 volume: 27.21 intensity: 3.48 {?}" 122 72 122 123 parsed_1rg3 2
45 "peak: 557 volume: 62.56 intensity: 6.65 {?}" 125 72 125 124 parsed_1rg3 2
46 "peak: 560 volume: 2.27 intensity: 0.78 {?}" 127 72 127 124 parsed_1rg3 2
47 "peak: 561 volume: 3.76 intensity: 1.29 {?}" 129 72 129 124 parsed_1rg3 2
48 "peak: 572 volume: 12.10 intensity: 2.54 {?}" 131 72 131 124 parsed_1rg3 2
49 "peak: 631 volume: 7.43 intensity: 0.88 {?}" 133 72 133 124 parsed_1rg3 2
50 "peak: 668 volume: 7.24 intensity: 1.01 {?}" 135 73 135 124 parsed_1rg3 2
51 "peak: 342 volume: 42.38 intensity: 6.00 {?}" 139 72 139 124 parsed_1rg3 2
52 "peak: 509 volume: 35.69 intensity: 7.88 {?}" 141 72 141 123 parsed_1rg3 2
53 "peak: 535 volume: 88.47 intensity: 15.15 {?}" 144 72 144 123 parsed_1rg3 2
54 "peak: 601 volume: 369.21 intensity: 12.22 {?}" 147 72 147 124 parsed_1rg3 2
55 "peak: 12 volume: 293.74 intensity: 6.80 {?}" 149 72 149 124 parsed_1rg3 2
56 "peak: 434 volume: 20.09 intensity: 0.93 {?}" 151 72 151 123 parsed_1rg3 2
57 "peak: 516 volume: 0.67 intensity: 0.25 {?}" 154 72 154 123 parsed_1rg3 2
58 "peak: 536 volume: 13.77 intensity: 1.68 {?}" 157 72 157 124 parsed_1rg3 2
59 "peak: 581 volume: 39.33 intensity: 3.13 {?}" 159 72 159 124 parsed_1rg3 2
60 "peak: 607 volume: 18.44 intensity: 0.51 {?}" 161 73 161 124 parsed_1rg3 2
61 "peak: 630 volume: 3.73 intensity: 0.22 {?}" 165 72 165 123 parsed_1rg3 2
62 "peak: 400 volume: 45.43 intensity: 1.88 {?}" 168 72 168 124 parsed_1rg3 2
63 "peak: 401 volume: 14.68 intensity: 0.95 {?}" 170 72 170 124 parsed_1rg3 2
64 "peak: 422 volume: 85.73 intensity: 9.51 {?}" 172 72 172 123 parsed_1rg3 2
65 "peak: 613 volume: 1.71 intensity: 0.24 {?}" 175 73 175 124 parsed_1rg3 2
66 "peak: 690 volume: 2.35 intensity: 0.18 {?}" 179 73 179 124 parsed_1rg3 2
67 "peak: 534 volume: 91.84 intensity: 19.09 {?}" 182 72 182 124 parsed_1rg3 2
68 "peak: 538 volume: 3.63 intensity: 0.58 {?}" 184 72 184 123 parsed_1rg3 2
69 "peak: 602 volume: 14.67 intensity: 1.44 {?}" 187 72 187 124 parsed_1rg3 2
70 "peak: 522 volume: 10.52 intensity: 2.36 {?}" 189 72 189 124 parsed_1rg3 2
71 "peak: 530 volume: 24.91 intensity: 3.23 {?}" 191 72 191 124 parsed_1rg3 2
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1rg3
_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 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1rg3 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_1rg3 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1rg3 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_1rg3 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1rg3 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_1rg3 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1rg3 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_1rg3 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1rg3 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_1rg3 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1rg3 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_1rg3 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1rg3 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_1rg3 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1rg3 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_1rg3 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1rg3 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_1rg3 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1rg3 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 (based on secondary structure as defined by local NOE patterns)
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 beta strands: phi=-120 +/- 30 psi=120 +/- 40
for alpha helix: phi=-60 +/- 30 psi=-40 +/- 40
;
2 1 10 49 parsed_1rg3 1
stop_
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1rg3
_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_1rg3 3
2 1 . . . parsed_1rg3 3
3 1 . . . parsed_1rg3 3
4 1 . . . parsed_1rg3 3
5 1 . . . parsed_1rg3 3
6 1 . . . parsed_1rg3 3
7 1 . . . parsed_1rg3 3
8 1 . . . parsed_1rg3 3
9 1 . . . parsed_1rg3 3
10 1 . . . parsed_1rg3 3
11 1 . . . parsed_1rg3 3
12 1 . . . parsed_1rg3 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 . . . . . . . . . 7 . O parsed_1rg3 3
1 1 2 . . . . . . . . . 11 . HN parsed_1rg3 3
2 1 1 . . . . . . . . . 7 . O parsed_1rg3 3
2 1 2 . . . . . . . . . 11 . N parsed_1rg3 3
3 1 1 . . . . . . . . . 8 . O parsed_1rg3 3
3 1 2 . . . . . . . . . 12 . HN parsed_1rg3 3
4 1 1 . . . . . . . . . 8 . O parsed_1rg3 3
4 1 2 . . . . . . . . . 12 . N parsed_1rg3 3
5 1 1 . . . . . . . . . 9 . O parsed_1rg3 3
5 1 2 . . . . . . . . . 13 . HN parsed_1rg3 3
6 1 1 . . . . . . . . . 9 . O parsed_1rg3 3
6 1 2 . . . . . . . . . 13 . N parsed_1rg3 3
7 1 1 . . . . . . . . . 10 . O parsed_1rg3 3
7 1 2 . . . . . . . . . 14 . HN parsed_1rg3 3
8 1 1 . . . . . . . . . 10 . O parsed_1rg3 3
8 1 2 . . . . . . . . . 14 . N parsed_1rg3 3
9 1 1 . . . . . . . . . 11 . O parsed_1rg3 3
9 1 2 . . . . . . . . . 15 . HN parsed_1rg3 3
10 1 1 . . . . . . . . . 11 . O parsed_1rg3 3
10 1 2 . . . . . . . . . 15 . N parsed_1rg3 3
11 1 1 . . . . . . . . . 12 . O parsed_1rg3 3
11 1 2 . . . . . . . . . 16 . HN parsed_1rg3 3
12 1 1 . . . . . . . . . 12 . O parsed_1rg3 3
12 1 2 . . . . . . . . . 16 . N parsed_1rg3 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_1rg3 3
2 1 . . . . . 3.3 2.5 5.5 parsed_1rg3 3
3 1 . . . . . 2.2 1.7 2.4 parsed_1rg3 3
4 1 . . . . . 3.3 2.5 3.5 parsed_1rg3 3
5 1 . . . . . 2.2 1.7 2.4 parsed_1rg3 3
6 1 . . . . . 3.3 2.5 5.5 parsed_1rg3 3
7 1 . . . . . 2.2 1.7 2.4 parsed_1rg3 3
8 1 . . . . . 3.3 2.5 3.5 parsed_1rg3 3
9 1 . . . . . 2.2 1.7 2.4 parsed_1rg3 3
10 1 . . . . . 3.3 2.5 5.5 parsed_1rg3 3
11 1 . . . . . 2.2 1.7 2.4 parsed_1rg3 3
12 1 . . . . . 3.3 2.5 5.5 parsed_1rg3 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 bonds (based on secondary structure as determined from local NOE patterns)" 2 1 2 85 parsed_1rg3 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_1rg3
_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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