NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
624368 |
6bx9   |
30385 | cing | 2-parsed | STAR | entry | full | 177 |
data_6bx9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6bx9
_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_6bx9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6bx9
_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 6bx9 "Master copy" parsed_6bx9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6bx9
_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 6bx9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6bx9 1
1 6bx9.mr . . XPLOR/CNS 2 distance NOE simple 167 parsed_6bx9 1
1 6bx9.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 5 parsed_6bx9 1
1 6bx9.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 5 parsed_6bx9 1
1 6bx9.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6bx9 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_6bx9
_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 TOXIN 18-DEC-17 6BX9
*TITLE SOLUTION STRUCTURE OF CONOTOXIN REG3B
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: CONOTOXIN;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: REG3B
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: CONUS REGIUS;
*SOURCE 3 ORGANISM_COMMON: CROWN CONE;
*SOURCE 4 ORGANISM_TAXID: 101314;
*SOURCE 5 OTHER_DETAILS: VENOM DUCT
*KEYWDS MINI-M, MULTI-TURN SCAFFOLD, TOXIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR F.MARI,S.DOVELL
*REVDAT 1 24-JAN-18 6BX9 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6bx9
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_6bx9 1
2 1 . . . parsed_6bx9 1
3 1 . . . parsed_6bx9 1
4 1 . . . parsed_6bx9 1
5 1 . . . parsed_6bx9 1
6 1 . . . parsed_6bx9 1
7 1 . . . parsed_6bx9 1
8 1 . . . parsed_6bx9 1
9 1 . . . parsed_6bx9 1
10 1 . . . parsed_6bx9 1
11 1 . . . parsed_6bx9 1
12 1 . . . parsed_6bx9 1
13 1 . . . parsed_6bx9 1
14 1 . . . parsed_6bx9 1
15 1 . . . parsed_6bx9 1
16 1 . . . parsed_6bx9 1
17 1 . . . parsed_6bx9 1
18 1 . . . parsed_6bx9 1
19 1 . . . parsed_6bx9 1
20 1 . . . parsed_6bx9 1
21 1 . . . parsed_6bx9 1
22 1 . . . parsed_6bx9 1
23 1 . . . parsed_6bx9 1
24 1 . . . parsed_6bx9 1
25 1 . . . parsed_6bx9 1
26 1 . . . parsed_6bx9 1
27 1 . . . parsed_6bx9 1
28 1 . . . parsed_6bx9 1
29 1 . . . parsed_6bx9 1
30 1 . . . parsed_6bx9 1
31 1 . . . parsed_6bx9 1
32 1 . . . parsed_6bx9 1
33 1 . . . parsed_6bx9 1
34 1 . . . parsed_6bx9 1
35 1 . . . parsed_6bx9 1
36 1 . . . parsed_6bx9 1
37 1 . . . parsed_6bx9 1
38 1 . . . parsed_6bx9 1
39 1 . . . parsed_6bx9 1
40 1 . . . parsed_6bx9 1
41 1 . . . parsed_6bx9 1
42 1 . . . parsed_6bx9 1
43 1 . . . parsed_6bx9 1
44 1 . . . parsed_6bx9 1
45 1 . . . parsed_6bx9 1
46 1 . . . parsed_6bx9 1
47 1 . . . parsed_6bx9 1
48 1 . . . parsed_6bx9 1
49 1 . . . parsed_6bx9 1
50 1 . . . parsed_6bx9 1
51 1 . . . parsed_6bx9 1
52 1 . . . parsed_6bx9 1
53 1 . . . parsed_6bx9 1
54 1 . . . parsed_6bx9 1
55 1 . . . parsed_6bx9 1
56 1 . . . parsed_6bx9 1
57 1 . . . parsed_6bx9 1
58 1 . . . parsed_6bx9 1
59 1 . . . parsed_6bx9 1
60 1 . . . parsed_6bx9 1
61 1 . . . parsed_6bx9 1
62 1 . . . parsed_6bx9 1
63 1 . . . parsed_6bx9 1
64 1 . . . parsed_6bx9 1
65 1 . . . parsed_6bx9 1
66 1 . . . parsed_6bx9 1
67 1 . . . parsed_6bx9 1
68 1 . . . parsed_6bx9 1
69 1 . . . parsed_6bx9 1
70 1 . . . parsed_6bx9 1
71 1 . . . parsed_6bx9 1
72 1 . . . parsed_6bx9 1
73 1 . . . parsed_6bx9 1
74 1 . . . parsed_6bx9 1
75 1 . . . parsed_6bx9 1
76 1 . . . parsed_6bx9 1
77 1 . . . parsed_6bx9 1
78 1 . . . parsed_6bx9 1
79 1 . . . parsed_6bx9 1
80 1 . . . parsed_6bx9 1
81 1 . . . parsed_6bx9 1
82 1 . . . parsed_6bx9 1
83 1 . . . parsed_6bx9 1
84 1 . . . parsed_6bx9 1
85 1 . . . parsed_6bx9 1
86 1 . . . parsed_6bx9 1
87 1 . . . parsed_6bx9 1
88 1 . . . parsed_6bx9 1
89 1 . . . parsed_6bx9 1
90 1 . . . parsed_6bx9 1
91 1 . . . parsed_6bx9 1
92 1 . . . parsed_6bx9 1
93 1 . . . parsed_6bx9 1
94 1 . . . parsed_6bx9 1
95 1 . . . parsed_6bx9 1
96 1 . . . parsed_6bx9 1
97 1 . . . parsed_6bx9 1
98 1 . . . parsed_6bx9 1
99 1 . . . parsed_6bx9 1
100 1 . . . parsed_6bx9 1
101 1 . . . parsed_6bx9 1
102 1 . . . parsed_6bx9 1
103 1 . . . parsed_6bx9 1
104 1 . . . parsed_6bx9 1
105 1 . . . parsed_6bx9 1
106 1 . . . parsed_6bx9 1
107 1 . . . parsed_6bx9 1
108 1 . . . parsed_6bx9 1
109 1 . . . parsed_6bx9 1
110 1 . . . parsed_6bx9 1
111 1 . . . parsed_6bx9 1
112 1 . . . parsed_6bx9 1
113 1 . . . parsed_6bx9 1
114 1 . . . parsed_6bx9 1
115 1 . . . parsed_6bx9 1
116 1 . . . parsed_6bx9 1
117 1 . . . parsed_6bx9 1
118 1 . . . parsed_6bx9 1
119 1 . . . parsed_6bx9 1
120 1 . . . parsed_6bx9 1
121 1 . . . parsed_6bx9 1
122 1 . . . parsed_6bx9 1
123 1 . . . parsed_6bx9 1
124 1 . . . parsed_6bx9 1
125 1 . . . parsed_6bx9 1
126 1 . . . parsed_6bx9 1
127 1 . . . parsed_6bx9 1
128 1 . . . parsed_6bx9 1
129 1 . . . parsed_6bx9 1
130 1 . . . parsed_6bx9 1
131 1 . . . parsed_6bx9 1
132 1 . . . parsed_6bx9 1
133 1 . . . parsed_6bx9 1
134 1 . . . parsed_6bx9 1
135 1 . . . parsed_6bx9 1
136 1 . . . parsed_6bx9 1
137 1 . . . parsed_6bx9 1
138 1 . . . parsed_6bx9 1
139 1 . . . parsed_6bx9 1
140 1 . . . parsed_6bx9 1
141 1 . . . parsed_6bx9 1
142 1 . . . parsed_6bx9 1
143 1 . . . parsed_6bx9 1
144 1 . . . parsed_6bx9 1
145 1 . . . parsed_6bx9 1
146 1 . . . parsed_6bx9 1
147 1 . . . parsed_6bx9 1
148 1 . . . parsed_6bx9 1
149 1 . . . parsed_6bx9 1
150 1 . . . parsed_6bx9 1
151 1 . . . parsed_6bx9 1
152 1 . . . parsed_6bx9 1
153 1 . . . parsed_6bx9 1
154 1 . . . parsed_6bx9 1
155 1 . . . parsed_6bx9 1
156 1 . . . parsed_6bx9 1
157 1 . . . parsed_6bx9 1
158 1 . . . parsed_6bx9 1
159 1 . . . parsed_6bx9 1
160 1 . . . parsed_6bx9 1
161 1 . . . parsed_6bx9 1
162 1 . . . parsed_6bx9 1
163 1 . . . parsed_6bx9 1
164 1 . . . parsed_6bx9 1
165 1 . . . parsed_6bx9 1
166 1 . . . parsed_6bx9 1
167 1 . . . parsed_6bx9 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 2 . HA parsed_6bx9 1
1 1 2 . . . . . . . . . 2 . HN parsed_6bx9 1
2 1 1 . . . . . . . . . 2 . HB1 parsed_6bx9 1
2 1 2 . . . . . . . . . 2 . HN parsed_6bx9 1
3 1 1 . . . . . . . . . 2 . HB2 parsed_6bx9 1
3 1 2 . . . . . . . . . 2 . HN parsed_6bx9 1
4 1 1 . . . . . . . . . 1 . HA parsed_6bx9 1
4 1 2 . . . . . . . . . 2 . HN parsed_6bx9 1
5 1 1 . . . . . . . . . 1 . HB# parsed_6bx9 1
5 1 2 . . . . . . . . . 2 . HN parsed_6bx9 1
6 1 1 . . . . . . . . . 2 . HA parsed_6bx9 1
6 1 2 . . . . . . . . . 3 . HN parsed_6bx9 1
7 1 1 . . . . . . . . . 3 . HA parsed_6bx9 1
7 1 2 . . . . . . . . . 3 . HN parsed_6bx9 1
8 1 1 . . . . . . . . . 3 . HB parsed_6bx9 1
8 1 2 . . . . . . . . . 3 . HN parsed_6bx9 1
9 1 1 . . . . . . . . . 4 . HA parsed_6bx9 1
9 1 2 . . . . . . . . . 4 . HN parsed_6bx9 1
10 1 1 . . . . . . . . . 4 . HB# parsed_6bx9 1
10 1 2 . . . . . . . . . 4 . HN parsed_6bx9 1
11 1 1 . . . . . . . . . 3 . HB parsed_6bx9 1
11 1 2 . . . . . . . . . 4 . HN parsed_6bx9 1
12 1 1 . . . . . . . . . 10 . HB1 parsed_6bx9 1
12 1 2 . . . . . . . . . 4 . HN parsed_6bx9 1
13 1 1 . . . . . . . . . 10 . HB2 parsed_6bx9 1
13 1 2 . . . . . . . . . 4 . HN parsed_6bx9 1
14 1 1 . . . . . . . . . 4 . HA parsed_6bx9 1
14 1 2 . . . . . . . . . 5 . HN parsed_6bx9 1
15 1 1 . . . . . . . . . 4 . HB# parsed_6bx9 1
15 1 2 . . . . . . . . . 5 . HN parsed_6bx9 1
16 1 1 . . . . . . . . . 5 . HA parsed_6bx9 1
16 1 2 . . . . . . . . . 5 . HN parsed_6bx9 1
17 1 1 . . . . . . . . . 5 . HB# parsed_6bx9 1
17 1 2 . . . . . . . . . 5 . HN parsed_6bx9 1
18 1 1 . . . . . . . . . 5 . HG parsed_6bx9 1
18 1 2 . . . . . . . . . 5 . HN parsed_6bx9 1
19 1 1 . . . . . . . . . 5 . HA parsed_6bx9 1
19 1 2 . . . . . . . . . 6 . HN parsed_6bx9 1
20 1 1 . . . . . . . . . 6 . HB2 parsed_6bx9 1
20 1 2 . . . . . . . . . 6 . HN parsed_6bx9 1
21 1 1 . . . . . . . . . 6 . HA parsed_6bx9 1
21 1 2 . . . . . . . . . 6 . HN parsed_6bx9 1
22 1 1 . . . . . . . . . 6 . HB1 parsed_6bx9 1
22 1 2 . . . . . . . . . 6 . HN parsed_6bx9 1
23 1 1 . . . . . . . . . 6 . HA parsed_6bx9 1
23 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1
24 1 1 . . . . . . . . . 7 . HA parsed_6bx9 1
24 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1
25 1 1 . . . . . . . . . 7 . HB1 parsed_6bx9 1
25 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1
26 1 1 . . . . . . . . . 7 . HB2 parsed_6bx9 1
26 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1
27 1 1 . . . . . . . . . 6 . HB1 parsed_6bx9 1
27 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1
28 1 1 . . . . . . . . . 6 . HB2 parsed_6bx9 1
28 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1
29 1 1 . . . . . . . . . 7 . HB1 parsed_6bx9 1
29 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1
30 1 1 . . . . . . . . . 1 . HB# parsed_6bx9 1
30 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1
31 1 1 . . . . . . . . . 8 . HB1 parsed_6bx9 1
31 1 2 . . . . . . . . . 8 . HE parsed_6bx9 1
32 1 1 . . . . . . . . . 8 . HB2 parsed_6bx9 1
32 1 2 . . . . . . . . . 8 . HE parsed_6bx9 1
33 1 1 . . . . . . . . . 8 . HD# parsed_6bx9 1
33 1 2 . . . . . . . . . 8 . HE parsed_6bx9 1
34 1 1 . . . . . . . . . 8 . HG1 parsed_6bx9 1
34 1 2 . . . . . . . . . 8 . HE parsed_6bx9 1
35 1 1 . . . . . . . . . 8 . HG2 parsed_6bx9 1
35 1 2 . . . . . . . . . 8 . HE parsed_6bx9 1
36 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1
36 1 2 . . . . . . . . . 8 . HE parsed_6bx9 1
37 1 1 . . . . . . . . . 9 . HA parsed_6bx9 1
37 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1
38 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1
38 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1
39 1 1 . . . . . . . . . 8 . HB# parsed_6bx9 1
39 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1
40 1 1 . . . . . . . . . 8 . HG# parsed_6bx9 1
40 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1
41 1 1 . . . . . . . . . 9 . HB1 parsed_6bx9 1
41 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1
42 1 1 . . . . . . . . . 9 . HB2 parsed_6bx9 1
42 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1
43 1 1 . . . . . . . . . 9 . HE# parsed_6bx9 1
43 1 2 . . . . . . . . . 9 . HD# parsed_6bx9 1
44 1 1 . . . . . . . . . 7 . HA parsed_6bx9 1
44 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1
45 1 1 . . . . . . . . . 7 . HB# parsed_6bx9 1
45 1 2 . . . . . . . . . 9 . HD# parsed_6bx9 1
46 1 1 . . . . . . . . . 9 . HD# parsed_6bx9 1
46 1 2 . . . . . . . . . 9 . HN parsed_6bx9 1
47 1 1 . . . . . . . . . 9 . HA parsed_6bx9 1
47 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1
48 1 1 . . . . . . . . . 10 . HA parsed_6bx9 1
48 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1
49 1 1 . . . . . . . . . 7 . HA parsed_6bx9 1
49 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1
50 1 1 . . . . . . . . . 7 . HB# parsed_6bx9 1
50 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1
51 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1
51 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1
52 1 1 . . . . . . . . . 9 . HB1 parsed_6bx9 1
52 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1
53 1 1 . . . . . . . . . 9 . HB2 parsed_6bx9 1
53 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1
54 1 1 . . . . . . . . . 10 . HB1 parsed_6bx9 1
54 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1
55 1 1 . . . . . . . . . 10 . HB2 parsed_6bx9 1
55 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1
56 1 1 . . . . . . . . . 12 . HA parsed_6bx9 1
56 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1
57 1 1 . . . . . . . . . 12 . HB# parsed_6bx9 1
57 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1
58 1 1 . . . . . . . . . 11 . HA parsed_6bx9 1
58 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1
59 1 1 . . . . . . . . . 10 . HB1 parsed_6bx9 1
59 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1
60 1 1 . . . . . . . . . 10 . HB2 parsed_6bx9 1
60 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1
61 1 1 . . . . . . . . . 11 . HB2 parsed_6bx9 1
61 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1
62 1 1 . . . . . . . . . 12 . HD1# parsed_6bx9 1
62 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1
63 1 1 . . . . . . . . . 13 . HA parsed_6bx9 1
63 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1
64 1 1 . . . . . . . . . 13 . HB# parsed_6bx9 1
64 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1
65 1 1 . . . . . . . . . 13 . HG# parsed_6bx9 1
65 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1
66 1 1 . . . . . . . . . 14 . HA parsed_6bx9 1
66 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1
67 1 1 . . . . . . . . . 14 . HB1 parsed_6bx9 1
67 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1
68 1 1 . . . . . . . . . 14 . HB2 parsed_6bx9 1
68 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1
69 1 1 . . . . . . . . . 12 . HD1# parsed_6bx9 1
69 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1
70 1 1 . . . . . . . . . 6 . HA parsed_6bx9 1
70 1 2 . . . . . . . . . 14 . HN parsed_6bx9 1
71 1 1 . . . . . . . . . 14 . HA parsed_6bx9 1
71 1 2 . . . . . . . . . 15 . HN parsed_6bx9 1
72 1 1 . . . . . . . . . 15 . HA parsed_6bx9 1
72 1 2 . . . . . . . . . 15 . HN parsed_6bx9 1
73 1 1 . . . . . . . . . 15 . HB1 parsed_6bx9 1
73 1 2 . . . . . . . . . 15 . HN parsed_6bx9 1
74 1 1 . . . . . . . . . 15 . HB2 parsed_6bx9 1
74 1 2 . . . . . . . . . 15 . HN parsed_6bx9 1
75 1 1 . . . . . . . . . 1 . HB# parsed_6bx9 1
75 1 2 . . . . . . . . . 15 . HN parsed_6bx9 1
76 1 1 . . . . . . . . . 2 . HN parsed_6bx9 1
76 1 2 . . . . . . . . . 3 . HN parsed_6bx9 1
77 1 1 . . . . . . . . . 3 . HN parsed_6bx9 1
77 1 2 . . . . . . . . . 4 . HN parsed_6bx9 1
78 1 1 . . . . . . . . . 4 . HN parsed_6bx9 1
78 1 2 . . . . . . . . . 5 . HN parsed_6bx9 1
79 1 1 . . . . . . . . . 5 . HN parsed_6bx9 1
79 1 2 . . . . . . . . . 6 . HN parsed_6bx9 1
80 1 1 . . . . . . . . . 6 . HN parsed_6bx9 1
80 1 2 . . . . . . . . . 7 . HN parsed_6bx9 1
81 1 1 . . . . . . . . . 9 . HN parsed_6bx9 1
81 1 2 . . . . . . . . . 10 . HN parsed_6bx9 1
82 1 1 . . . . . . . . . 2 . HN parsed_6bx9 1
82 1 2 . . . . . . . . . 4 . HN parsed_6bx9 1
83 1 1 . . . . . . . . . 9 . HN parsed_6bx9 1
83 1 2 . . . . . . . . . 12 . HN parsed_6bx9 1
84 1 1 . . . . . . . . . 1 . HA parsed_6bx9 1
84 1 2 . . . . . . . . . 1 . HB1 parsed_6bx9 1
85 1 1 . . . . . . . . . 1 . HA parsed_6bx9 1
85 1 2 . . . . . . . . . 13 . HB# parsed_6bx9 1
86 1 1 . . . . . . . . . 2 . HA parsed_6bx9 1
86 1 2 . . . . . . . . . 2 . HB1 parsed_6bx9 1
87 1 1 . . . . . . . . . 2 . HA parsed_6bx9 1
87 1 2 . . . . . . . . . 2 . HB2 parsed_6bx9 1
88 1 1 . . . . . . . . . 4 . HA parsed_6bx9 1
88 1 2 . . . . . . . . . 4 . HB# parsed_6bx9 1
89 1 1 . . . . . . . . . 5 . HA parsed_6bx9 1
89 1 2 . . . . . . . . . 5 . HB# parsed_6bx9 1
90 1 1 . . . . . . . . . 7 . HA parsed_6bx9 1
90 1 2 . . . . . . . . . 7 . HB1 parsed_6bx9 1
91 1 1 . . . . . . . . . 7 . HA parsed_6bx9 1
91 1 2 . . . . . . . . . 7 . HB2 parsed_6bx9 1
92 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1
92 1 2 . . . . . . . . . 8 . HB1 parsed_6bx9 1
93 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1
93 1 2 . . . . . . . . . 8 . HB# parsed_6bx9 1
94 1 1 . . . . . . . . . 9 . HA parsed_6bx9 1
94 1 2 . . . . . . . . . 9 . HB# parsed_6bx9 1
95 1 1 . . . . . . . . . 11 . HA parsed_6bx9 1
95 1 2 . . . . . . . . . 11 . HB1 parsed_6bx9 1
96 1 1 . . . . . . . . . 11 . HA parsed_6bx9 1
96 1 2 . . . . . . . . . 11 . HB2 parsed_6bx9 1
97 1 1 . . . . . . . . . 12 . HA parsed_6bx9 1
97 1 2 . . . . . . . . . 12 . HB1 parsed_6bx9 1
98 1 1 . . . . . . . . . 12 . HA parsed_6bx9 1
98 1 2 . . . . . . . . . 12 . HB2 parsed_6bx9 1
99 1 1 . . . . . . . . . 13 . HA parsed_6bx9 1
99 1 2 . . . . . . . . . 13 . HB# parsed_6bx9 1
100 1 1 . . . . . . . . . 15 . HA parsed_6bx9 1
100 1 2 . . . . . . . . . 1 . HB# parsed_6bx9 1
101 1 1 . . . . . . . . . 15 . HA parsed_6bx9 1
101 1 2 . . . . . . . . . 15 . HB1 parsed_6bx9 1
102 1 1 . . . . . . . . . 15 . HA parsed_6bx9 1
102 1 2 . . . . . . . . . 15 . HB2 parsed_6bx9 1
103 1 1 . . . . . . . . . 1 . HA parsed_6bx9 1
103 1 2 . . . . . . . . . 1 . HB2 parsed_6bx9 1
104 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1
104 1 2 . . . . . . . . . 12 . HB# parsed_6bx9 1
105 1 1 . . . . . . . . . 3 . HA parsed_6bx9 1
105 1 2 . . . . . . . . . 3 . HG2# parsed_6bx9 1
106 1 1 . . . . . . . . . 5 . HA parsed_6bx9 1
106 1 2 . . . . . . . . . 5 . HG parsed_6bx9 1
107 1 1 . . . . . . . . . 12 . HA parsed_6bx9 1
107 1 2 . . . . . . . . . 12 . HG parsed_6bx9 1
108 1 1 . . . . . . . . . 13 . HA parsed_6bx9 1
108 1 2 . . . . . . . . . 13 . HG1 parsed_6bx9 1
109 1 1 . . . . . . . . . 13 . HA parsed_6bx9 1
109 1 2 . . . . . . . . . 13 . HG2 parsed_6bx9 1
110 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1
110 1 2 . . . . . . . . . 8 . HG1 parsed_6bx9 1
111 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1
111 1 2 . . . . . . . . . 8 . HG2 parsed_6bx9 1
112 1 1 . . . . . . . . . 5 . HA parsed_6bx9 1
112 1 2 . . . . . . . . . 5 . HD2# parsed_6bx9 1
113 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1
113 1 2 . . . . . . . . . 8 . HD# parsed_6bx9 1
114 1 1 . . . . . . . . . 9 . HA parsed_6bx9 1
114 1 2 . . . . . . . . . 9 . HD# parsed_6bx9 1
115 1 1 . . . . . . . . . 12 . HA parsed_6bx9 1
115 1 2 . . . . . . . . . 12 . HD1# parsed_6bx9 1
116 1 1 . . . . . . . . . 12 . HA parsed_6bx9 1
116 1 2 . . . . . . . . . 12 . HD2# parsed_6bx9 1
117 1 1 . . . . . . . . . 8 . HA parsed_6bx9 1
117 1 2 . . . . . . . . . 12 . HD2# parsed_6bx9 1
118 1 1 . . . . . . . . . 1 . HA parsed_6bx9 1
118 1 2 . . . . . . . . . 13 . HD# parsed_6bx9 1
119 1 1 . . . . . . . . . 5 . HA parsed_6bx9 1
119 1 2 . . . . . . . . . 5 . HD1# parsed_6bx9 1
120 1 1 . . . . . . . . . 10 . HA parsed_6bx9 1
120 1 2 . . . . . . . . . 10 . HD2 parsed_6bx9 1
121 1 1 . . . . . . . . . 1 . HB1 parsed_6bx9 1
121 1 2 . . . . . . . . . 1 . HB2 parsed_6bx9 1
122 1 1 . . . . . . . . . 7 . HB1 parsed_6bx9 1
122 1 2 . . . . . . . . . 7 . HB2 parsed_6bx9 1
123 1 1 . . . . . . . . . 8 . HB1 parsed_6bx9 1
123 1 2 . . . . . . . . . 8 . HB2 parsed_6bx9 1
124 1 1 . . . . . . . . . 9 . HB1 parsed_6bx9 1
124 1 2 . . . . . . . . . 9 . HB2 parsed_6bx9 1
125 1 1 . . . . . . . . . 10 . HB1 parsed_6bx9 1
125 1 2 . . . . . . . . . 10 . HB2 parsed_6bx9 1
126 1 1 . . . . . . . . . 14 . HB1 parsed_6bx9 1
126 1 2 . . . . . . . . . 14 . HB2 parsed_6bx9 1
127 1 1 . . . . . . . . . 15 . HB1 parsed_6bx9 1
127 1 2 . . . . . . . . . 15 . HB2 parsed_6bx9 1
128 1 1 . . . . . . . . . 6 . HB1 parsed_6bx9 1
128 1 2 . . . . . . . . . 14 . HB2 parsed_6bx9 1
129 1 1 . . . . . . . . . 13 . HB1 parsed_6bx9 1
129 1 2 . . . . . . . . . 13 . HB2 parsed_6bx9 1
130 1 1 . . . . . . . . . 1 . HB1 parsed_6bx9 1
130 1 2 . . . . . . . . . 13 . HB# parsed_6bx9 1
131 1 1 . . . . . . . . . 1 . HB2 parsed_6bx9 1
131 1 2 . . . . . . . . . 13 . HB# parsed_6bx9 1
132 1 1 . . . . . . . . . 3 . HB parsed_6bx9 1
132 1 2 . . . . . . . . . 15 . HB# parsed_6bx9 1
133 1 1 . . . . . . . . . 7 . HB# parsed_6bx9 1
133 1 2 . . . . . . . . . 10 . HB# parsed_6bx9 1
134 1 1 . . . . . . . . . 5 . HB# parsed_6bx9 1
134 1 2 . . . . . . . . . 5 . HG parsed_6bx9 1
135 1 1 . . . . . . . . . 13 . HB1 parsed_6bx9 1
135 1 2 . . . . . . . . . 13 . HG1 parsed_6bx9 1
136 1 1 . . . . . . . . . 3 . HB parsed_6bx9 1
136 1 2 . . . . . . . . . 3 . HG2# parsed_6bx9 1
137 1 1 . . . . . . . . . 8 . HB1 parsed_6bx9 1
137 1 2 . . . . . . . . . 8 . HG1 parsed_6bx9 1
138 1 1 . . . . . . . . . 8 . HB1 parsed_6bx9 1
138 1 2 . . . . . . . . . 8 . HG2 parsed_6bx9 1
139 1 1 . . . . . . . . . 8 . HB2 parsed_6bx9 1
139 1 2 . . . . . . . . . 8 . HG1 parsed_6bx9 1
140 1 1 . . . . . . . . . 13 . HB1 parsed_6bx9 1
140 1 2 . . . . . . . . . 13 . HG2 parsed_6bx9 1
141 1 1 . . . . . . . . . 13 . HG# parsed_6bx9 1
141 1 2 . . . . . . . . . 13 . HB# parsed_6bx9 1
142 1 1 . . . . . . . . . 8 . HB2 parsed_6bx9 1
142 1 2 . . . . . . . . . 8 . HG2 parsed_6bx9 1
143 1 1 . . . . . . . . . 2 . HB# parsed_6bx9 1
143 1 2 . . . . . . . . . 5 . HG parsed_6bx9 1
144 1 1 . . . . . . . . . 10 . HB# parsed_6bx9 1
144 1 2 . . . . . . . . . 5 . HG parsed_6bx9 1
145 1 1 . . . . . . . . . 8 . HD# parsed_6bx9 1
145 1 2 . . . . . . . . . 8 . HB1 parsed_6bx9 1
146 1 1 . . . . . . . . . 8 . HD# parsed_6bx9 1
146 1 2 . . . . . . . . . 8 . HB2 parsed_6bx9 1
147 1 1 . . . . . . . . . 5 . HB# parsed_6bx9 1
147 1 2 . . . . . . . . . 5 . HD1# parsed_6bx9 1
148 1 1 . . . . . . . . . 5 . HB# parsed_6bx9 1
148 1 2 . . . . . . . . . 9 . HD# parsed_6bx9 1
149 1 1 . . . . . . . . . 9 . HB1 parsed_6bx9 1
149 1 2 . . . . . . . . . 9 . HD# parsed_6bx9 1
150 1 1 . . . . . . . . . 9 . HB2 parsed_6bx9 1
150 1 2 . . . . . . . . . 9 . HD# parsed_6bx9 1
151 1 1 . . . . . . . . . 13 . HD# parsed_6bx9 1
151 1 2 . . . . . . . . . 13 . HB# parsed_6bx9 1
152 1 1 . . . . . . . . . 5 . HB# parsed_6bx9 1
152 1 2 . . . . . . . . . 5 . HD2# parsed_6bx9 1
153 1 1 . . . . . . . . . 8 . HD# parsed_6bx9 1
153 1 2 . . . . . . . . . 12 . HB# parsed_6bx9 1
154 1 1 . . . . . . . . . 9 . HB2 parsed_6bx9 1
154 1 2 . . . . . . . . . 10 . HD2 parsed_6bx9 1
155 1 1 . . . . . . . . . 10 . HB1 parsed_6bx9 1
155 1 2 . . . . . . . . . 10 . HD2 parsed_6bx9 1
156 1 1 . . . . . . . . . 10 . HB2 parsed_6bx9 1
156 1 2 . . . . . . . . . 10 . HD2 parsed_6bx9 1
157 1 1 . . . . . . . . . 5 . HG parsed_6bx9 1
157 1 2 . . . . . . . . . 5 . HD1# parsed_6bx9 1
158 1 1 . . . . . . . . . 5 . HG parsed_6bx9 1
158 1 2 . . . . . . . . . 5 . HD2# parsed_6bx9 1
159 1 1 . . . . . . . . . 8 . HD# parsed_6bx9 1
159 1 2 . . . . . . . . . 8 . HG1 parsed_6bx9 1
160 1 1 . . . . . . . . . 13 . HD1 parsed_6bx9 1
160 1 2 . . . . . . . . . 13 . HG2 parsed_6bx9 1
161 1 1 . . . . . . . . . 13 . HD2 parsed_6bx9 1
161 1 2 . . . . . . . . . 13 . HG2 parsed_6bx9 1
162 1 1 . . . . . . . . . 13 . HD1 parsed_6bx9 1
162 1 2 . . . . . . . . . 13 . HG1 parsed_6bx9 1
163 1 1 . . . . . . . . . 13 . HD2 parsed_6bx9 1
163 1 2 . . . . . . . . . 13 . HG1 parsed_6bx9 1
164 1 1 . . . . . . . . . 8 . HD# parsed_6bx9 1
164 1 2 . . . . . . . . . 8 . HG2 parsed_6bx9 1
165 1 1 . . . . . . . . . 8 . HG1 parsed_6bx9 1
165 1 2 . . . . . . . . . 8 . HG2 parsed_6bx9 1
166 1 1 . . . . . . . . . 13 . HG1 parsed_6bx9 1
166 1 2 . . . . . . . . . 13 . HG2 parsed_6bx9 1
167 1 1 . . . . . . . . . 13 . HD1 parsed_6bx9 1
167 1 2 . . . . . . . . . 13 . HD2 parsed_6bx9 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
2 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
3 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
4 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
5 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1
6 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
7 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
8 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
9 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
10 1 . . . . . 4.0 1.2 5.6 parsed_6bx9 1
11 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
12 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
13 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
14 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
15 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1
16 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
17 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
18 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
19 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
20 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
21 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
22 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
23 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
24 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
25 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
26 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
27 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
28 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
29 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
30 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
31 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
32 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
33 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
34 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
35 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
36 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
37 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
38 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
39 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
40 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
41 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
42 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
43 1 . . . . . 2.5 -0.2 4.7 parsed_6bx9 1
44 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
45 1 . . . . . 4.0 0.8 7.4 parsed_6bx9 1
46 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
47 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
48 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
49 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
50 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
51 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
52 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
53 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
54 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
55 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
56 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
57 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
58 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
59 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
60 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
61 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
62 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
63 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
64 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
65 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1
66 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
67 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
68 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
69 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
70 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
71 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
72 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
73 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
74 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
75 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
76 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
77 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
78 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
79 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
80 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
81 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
82 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
83 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
84 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
85 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
86 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
87 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
88 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
89 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
90 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
91 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
92 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
93 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
94 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
95 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
96 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
97 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
98 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
99 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
100 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1
101 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
102 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
103 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
104 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
105 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
106 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
107 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
108 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
109 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
110 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
111 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
112 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1
113 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
114 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
115 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1
116 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1
117 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
118 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
119 1 . . . . . 4.0 1.2 5.6 parsed_6bx9 1
120 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
121 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1
122 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1
123 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1
124 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1
125 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1
126 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1
127 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1
128 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
129 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
130 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
131 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
132 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
133 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
134 1 . . . . . 2.5 0.8 3.7 parsed_6bx9 1
135 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1
136 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
137 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
138 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
139 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
140 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
141 1 . . . . . 3.0 0.6 4.7 parsed_6bx9 1
142 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
143 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
144 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
145 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
146 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
147 1 . . . . . 3.0 0.2 5.1 parsed_6bx9 1
148 1 . . . . . 3.0 -0.2 5.5 parsed_6bx9 1
149 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
150 1 . . . . . 3.0 1.2 4.1 parsed_6bx9 1
151 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
152 1 . . . . . 4.0 0.6 6.2 parsed_6bx9 1
153 1 . . . . . 4.0 0.6 6.2 parsed_6bx9 1
154 1 . . . . . 4.0 0.8 6.0 parsed_6bx9 1
155 1 . . . . . 4.0 1.2 5.6 parsed_6bx9 1
156 1 . . . . . 4.0 1.2 5.6 parsed_6bx9 1
157 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1
158 1 . . . . . 3.0 0.8 4.5 parsed_6bx9 1
159 1 . . . . . 4.0 1.2 5.6 parsed_6bx9 1
160 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
161 1 . . . . . 3.0 1.8 3.5 parsed_6bx9 1
162 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
163 1 . . . . . 4.0 1.8 5.0 parsed_6bx9 1
164 1 . . . . . 4.0 1.2 5.6 parsed_6bx9 1
165 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1
166 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 1
167 1 . . . . . 2.5 1.8 2.7 parsed_6bx9 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
;
Distance restraints
set message=off echo=off end
CYS 2
;
2 1 5 7 parsed_6bx9 1
2 "THR 3" 12 1 12 7 parsed_6bx9 1
3 "ALA 4" 17 1 17 7 parsed_6bx9 1
4 "LEU 5" 24 1 24 7 parsed_6bx9 1
5 "CYS 6" 31 1 31 7 parsed_6bx9 1
6 "SER 7" 37 1 37 7 parsed_6bx9 1
7 "ARG 8" 47 1 47 7 parsed_6bx9 1
8 "TYR 9" 55 1 55 7 parsed_6bx9 1
9 "HIS 10" 67 1 67 8 parsed_6bx9 1
10 "LEU 12" 78 1 78 8 parsed_6bx9 1
11 "CYS 15" 95 1 95 8 parsed_6bx9 1
12 NH(i)-NH(i+1) 102 1 102 15 parsed_6bx9 1
13 NH(i)-NH(i+2) 110 1 110 15 parsed_6bx9 1
14 CaH-CbH 114 1 114 9 parsed_6bx9 1
15 CaH-CgH 137 1 137 9 parsed_6bx9 1
16 CaH-CdH 146 1 146 9 parsed_6bx9 1
17 CbH-CbH 157 1 157 9 parsed_6bx9 1
18 CbH-CgH 172 1 172 9 parsed_6bx9 1
19 CbH-CdH 185 1 185 9 parsed_6bx9 1
20 CgH-CdH 199 1 199 9 parsed_6bx9 1
21 CgH-CgH 209 1 209 9 parsed_6bx9 1
22 CdH-CdH 213 1 213 9 parsed_6bx9 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 1: restraints.tbl" 1 1 1 35 parsed_6bx9 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6bx9
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_6bx9 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_6bx9 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_6bx9 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_6bx9 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_6bx9 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 restraints
! Phi restraints: minimum deviation = 30 degrees
! Y9
;
1 1 4 11 parsed_6bx9 1
2 "! C6" 7 3 7 12 parsed_6bx9 1
3 "! S7" 10 3 10 11 parsed_6bx9 1
4 "! L5" 13 3 13 12 parsed_6bx9 1
5 "! T3" 16 3 16 12 parsed_6bx9 1
6 "message=on echo=on" 21 1 21 26 parsed_6bx9 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 end 19 1 19 3 parsed_6bx9 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6bx9
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_6bx9 2
2 1 . . . parsed_6bx9 2
3 1 . . . parsed_6bx9 2
4 1 . . . parsed_6bx9 2
5 1 . . . parsed_6bx9 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 12 . N parsed_6bx9 2
1 1 2 . . . . . . . . . 10 . O parsed_6bx9 2
2 1 1 . . . . . . . . . 6 . N parsed_6bx9 2
2 1 2 . . . . . . . . . 4 . O parsed_6bx9 2
3 1 1 . . . . . . . . . 5 . N parsed_6bx9 2
3 1 2 . . . . . . . . . 3 . OG1 parsed_6bx9 2
4 1 1 . . . . . . . . . 15 . N parsed_6bx9 2
4 1 2 . . . . . . . . . 4 . O parsed_6bx9 2
5 1 1 . . . . . . . . . 14 . N parsed_6bx9 2
5 1 2 . . . . . . . . . 13 . O parsed_6bx9 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.8 2.4 3.3 parsed_6bx9 2
2 1 . . . . . 2.8 2.4 3.3 parsed_6bx9 2
3 1 . . . . . 2.8 2.4 3.3 parsed_6bx9 2
4 1 . . . . . 2.8 2.4 3.3 parsed_6bx9 2
5 1 . . . . . 2.8 2.4 3.3 parsed_6bx9 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 "H-bond restraints" 1 1 1 19 parsed_6bx9 2
stop_
save_
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