Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
633324 | 6mjd RC | 30519 | cing | 2-parsed | STAR | entry | full | 217 |
data_6mjd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6mjd
_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_6mjd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6mjd
_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 6mjd "Master copy" parsed_6mjd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6mjd
_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 6mjd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6mjd 1
1 6mjd.mr . . XPLOR/CNS 2 distance NOE simple 178 parsed_6mjd 1
1 6mjd.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 33 parsed_6mjd 1
1 6mjd.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 6 parsed_6mjd 1
1 6mjd.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6mjd 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_6mjd
_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 20-SEP-18 6MJD
*TITLE NMR SOLUTION STRUCTURE OF GIIIC
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ARG-ASP-CYS-CYS-THR-HYP-HYP-LYS-LYS-CYS-LYS-ASP-ARG-ARG-
*COMPND 3 CYS-LYS-HYP-LEU-LYS-CYS-CYS-ALA-NH2;
*COMPND 4 CHAIN: A;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: CONUS GEOGRAPHUS;
*SOURCE 4 ORGANISM_TAXID: 6491
*KEYWDS CONOTOXIN, SODIUM CHANNEL BLOCKER, TOXIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR P.J.HARVEY,T.DUREK,D.J.CRAIK
*REVDAT 1 28-NOV-18 6MJD 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6mjd
_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_6mjd 1
2 1 . . . parsed_6mjd 1
3 1 . . . parsed_6mjd 1
4 1 . . . parsed_6mjd 1
5 1 . . . parsed_6mjd 1
6 1 . . . parsed_6mjd 1
7 1 . . . parsed_6mjd 1
8 1 . . . parsed_6mjd 1
9 1 . . . parsed_6mjd 1
10 1 . . . parsed_6mjd 1
11 1 . . . parsed_6mjd 1
12 1 . . . parsed_6mjd 1
13 1 . . . parsed_6mjd 1
14 1 . . . parsed_6mjd 1
15 1 . . . parsed_6mjd 1
16 1 . . . parsed_6mjd 1
17 1 . . . parsed_6mjd 1
18 1 . . . parsed_6mjd 1
19 1 . . . parsed_6mjd 1
20 1 . . . parsed_6mjd 1
21 1 . . . parsed_6mjd 1
22 1 . . . parsed_6mjd 1
23 1 . . . parsed_6mjd 1
24 1 . . . parsed_6mjd 1
25 1 . . . parsed_6mjd 1
26 1 . . . parsed_6mjd 1
27 1 . . . parsed_6mjd 1
28 1 . . . parsed_6mjd 1
29 1 . . . parsed_6mjd 1
30 1 . . . parsed_6mjd 1
31 1 . . . parsed_6mjd 1
32 1 . . . parsed_6mjd 1
33 1 . . . parsed_6mjd 1
34 1 . . . parsed_6mjd 1
35 1 . . . parsed_6mjd 1
36 1 . . . parsed_6mjd 1
37 1 . . . parsed_6mjd 1
38 1 . . . parsed_6mjd 1
39 1 . . . parsed_6mjd 1
40 1 . . . parsed_6mjd 1
41 1 . . . parsed_6mjd 1
42 1 . . . parsed_6mjd 1
43 1 . . . parsed_6mjd 1
44 1 . . . parsed_6mjd 1
45 1 . . . parsed_6mjd 1
46 1 . . . parsed_6mjd 1
47 1 . . . parsed_6mjd 1
48 1 . . . parsed_6mjd 1
49 1 . . . parsed_6mjd 1
50 1 . . . parsed_6mjd 1
51 1 . . . parsed_6mjd 1
52 1 . . . parsed_6mjd 1
53 1 . . . parsed_6mjd 1
54 1 . . . parsed_6mjd 1
55 1 . . . parsed_6mjd 1
56 1 . . . parsed_6mjd 1
57 1 . . . parsed_6mjd 1
58 1 . . . parsed_6mjd 1
59 1 . . . parsed_6mjd 1
60 1 . . . parsed_6mjd 1
61 1 . . . parsed_6mjd 1
62 1 . . . parsed_6mjd 1
63 1 . . . parsed_6mjd 1
64 1 . . . parsed_6mjd 1
65 1 . . . parsed_6mjd 1
66 1 . . . parsed_6mjd 1
67 1 . . . parsed_6mjd 1
68 1 . . . parsed_6mjd 1
69 1 . . . parsed_6mjd 1
70 1 . . . parsed_6mjd 1
71 1 . . . parsed_6mjd 1
72 1 . . . parsed_6mjd 1
73 1 . . . parsed_6mjd 1
74 1 . . . parsed_6mjd 1
75 1 . . . parsed_6mjd 1
76 1 . . . parsed_6mjd 1
77 1 . . . parsed_6mjd 1
78 1 . . . parsed_6mjd 1
79 1 . . . parsed_6mjd 1
80 1 . . . parsed_6mjd 1
81 1 . . . parsed_6mjd 1
82 1 . . . parsed_6mjd 1
83 1 . . . parsed_6mjd 1
84 1 . . . parsed_6mjd 1
85 1 . . . parsed_6mjd 1
86 1 . . . parsed_6mjd 1
87 1 . . . parsed_6mjd 1
88 1 . . . parsed_6mjd 1
89 1 . . . parsed_6mjd 1
90 1 . . . parsed_6mjd 1
91 1 . . . parsed_6mjd 1
92 1 . . . parsed_6mjd 1
93 1 . . . parsed_6mjd 1
94 1 . . . parsed_6mjd 1
95 1 . . . parsed_6mjd 1
96 1 . . . parsed_6mjd 1
97 1 . . . parsed_6mjd 1
98 1 . . . parsed_6mjd 1
99 1 . . . parsed_6mjd 1
100 1 . . . parsed_6mjd 1
101 1 . . . parsed_6mjd 1
102 1 . . . parsed_6mjd 1
103 1 . . . parsed_6mjd 1
104 1 . . . parsed_6mjd 1
105 1 . . . parsed_6mjd 1
106 1 . . . parsed_6mjd 1
107 1 . . . parsed_6mjd 1
108 1 . . . parsed_6mjd 1
109 1 . . . parsed_6mjd 1
110 1 . . . parsed_6mjd 1
111 1 . . . parsed_6mjd 1
112 1 . . . parsed_6mjd 1
113 1 . . . parsed_6mjd 1
114 1 . . . parsed_6mjd 1
115 1 . . . parsed_6mjd 1
116 1 . . . parsed_6mjd 1
117 1 . . . parsed_6mjd 1
118 1 . . . parsed_6mjd 1
119 1 . . . parsed_6mjd 1
120 1 . . . parsed_6mjd 1
121 1 . . . parsed_6mjd 1
122 1 . . . parsed_6mjd 1
123 1 . . . parsed_6mjd 1
124 1 . . . parsed_6mjd 1
125 1 . . . parsed_6mjd 1
126 1 . . . parsed_6mjd 1
127 1 . . . parsed_6mjd 1
128 1 . . . parsed_6mjd 1
129 1 . . . parsed_6mjd 1
130 1 . . . parsed_6mjd 1
131 1 . . . parsed_6mjd 1
132 1 . . . parsed_6mjd 1
133 1 . . . parsed_6mjd 1
134 1 . . . parsed_6mjd 1
135 1 . . . parsed_6mjd 1
136 1 . . . parsed_6mjd 1
137 1 . . . parsed_6mjd 1
138 1 . . . parsed_6mjd 1
139 1 . . . parsed_6mjd 1
140 1 . . . parsed_6mjd 1
141 1 . . . parsed_6mjd 1
142 1 . . . parsed_6mjd 1
143 1 . . . parsed_6mjd 1
144 1 . . . parsed_6mjd 1
145 1 . . . parsed_6mjd 1
146 1 . . . parsed_6mjd 1
147 1 . . . parsed_6mjd 1
148 1 . . . parsed_6mjd 1
149 1 . . . parsed_6mjd 1
150 1 . . . parsed_6mjd 1
151 1 . . . parsed_6mjd 1
152 1 . . . parsed_6mjd 1
153 1 . . . parsed_6mjd 1
154 1 . . . parsed_6mjd 1
155 1 . . . parsed_6mjd 1
156 1 . . . parsed_6mjd 1
157 1 . . . parsed_6mjd 1
158 1 . . . parsed_6mjd 1
159 1 . . . parsed_6mjd 1
160 1 . . . parsed_6mjd 1
161 1 . . . parsed_6mjd 1
162 1 . . . parsed_6mjd 1
163 1 . . . parsed_6mjd 1
164 1 . . . parsed_6mjd 1
165 1 . . . parsed_6mjd 1
166 1 . . . parsed_6mjd 1
167 1 . . . parsed_6mjd 1
168 1 . . . parsed_6mjd 1
169 1 . . . parsed_6mjd 1
170 1 . . . parsed_6mjd 1
171 1 . . . parsed_6mjd 1
172 1 . . . parsed_6mjd 1
173 1 . . . parsed_6mjd 1
174 1 . . . parsed_6mjd 1
175 1 . . . parsed_6mjd 1
176 1 . . . parsed_6mjd 1
177 1 . . . parsed_6mjd 1
178 1 . . . parsed_6mjd 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_6mjd 1
1 1 2 . . . . . . . . . 3 . HN parsed_6mjd 1
2 1 1 . . . . . . . . . 12 . HA parsed_6mjd 1
2 1 2 . . . . . . . . . 13 . HN parsed_6mjd 1
3 1 1 . . . . . . . . . 18 . HA parsed_6mjd 1
3 1 2 . . . . . . . . . 19 . HN parsed_6mjd 1
4 1 1 . . . . . . . . . 8 . HA parsed_6mjd 1
4 1 2 . . . . . . . . . 9 . HN parsed_6mjd 1
5 1 1 . . . . . . . . . 19 . HA parsed_6mjd 1
5 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1
6 1 1 . . . . . . . . . 10 . HA parsed_6mjd 1
6 1 2 . . . . . . . . . 12 . HN parsed_6mjd 1
7 1 1 . . . . . . . . . 5 . HN parsed_6mjd 1
7 1 2 . . . . . . . . . 5 . HB parsed_6mjd 1
8 1 1 . . . . . . . . . 13 . HA parsed_6mjd 1
8 1 2 . . . . . . . . . 16 . HN parsed_6mjd 1
9 1 1 . . . . . . . . . 16 . HN parsed_6mjd 1
9 1 2 . . . . . . . . . 17 . HD2 parsed_6mjd 1
10 1 1 . . . . . . . . . 12 . HB2 parsed_6mjd 1
10 1 2 . . . . . . . . . 13 . HN parsed_6mjd 1
11 1 1 . . . . . . . . . 12 . HB1 parsed_6mjd 1
11 1 2 . . . . . . . . . 13 . HN parsed_6mjd 1
12 1 1 . . . . . . . . . 11 . HN parsed_6mjd 1
12 1 2 . . . . . . . . . 11 . HB2 parsed_6mjd 1
13 1 1 . . . . . . . . . 19 . HB2 parsed_6mjd 1
13 1 2 . . . . . . . . . 20 . HN parsed_6mjd 1
14 1 1 . . . . . . . . . 19 . HB1 parsed_6mjd 1
14 1 2 . . . . . . . . . 20 . HN parsed_6mjd 1
15 1 1 . . . . . . . . . 11 . HN parsed_6mjd 1
15 1 2 . . . . . . . . . 11 . HB1 parsed_6mjd 1
16 1 1 . . . . . . . . . 8 . HN parsed_6mjd 1
16 1 2 . . . . . . . . . 8 . HG2 parsed_6mjd 1
17 1 1 . . . . . . . . . 8 . HN parsed_6mjd 1
17 1 2 . . . . . . . . . 8 . HG1 parsed_6mjd 1
18 1 1 . . . . . . . . . 8 . HN parsed_6mjd 1
18 1 2 . . . . . . . . . 8 . HB1 parsed_6mjd 1
19 1 1 . . . . . . . . . 8 . HN parsed_6mjd 1
19 1 2 . . . . . . . . . 8 . HB2 parsed_6mjd 1
20 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1
20 1 2 . . . . . . . . . 13 . HB2 parsed_6mjd 1
21 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1
21 1 2 . . . . . . . . . 13 . HB1 parsed_6mjd 1
22 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1
22 1 2 . . . . . . . . . 13 . HG2 parsed_6mjd 1
23 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1
23 1 2 . . . . . . . . . 13 . HG1 parsed_6mjd 1
24 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1
24 1 2 . . . . . . . . . 14 . HG2 parsed_6mjd 1
25 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1
25 1 2 . . . . . . . . . 14 . HG1 parsed_6mjd 1
26 1 1 . . . . . . . . . 22 . HN parsed_6mjd 1
26 1 2 . . . . . . . . . 22 . HB# parsed_6mjd 1
27 1 1 . . . . . . . . . 14 . HB2 parsed_6mjd 1
27 1 2 . . . . . . . . . 14 . HE parsed_6mjd 1
28 1 1 . . . . . . . . . 14 . HB1 parsed_6mjd 1
28 1 2 . . . . . . . . . 14 . HE parsed_6mjd 1
29 1 1 . . . . . . . . . 18 . HB2 parsed_6mjd 1
29 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1
30 1 1 . . . . . . . . . 12 . HN parsed_6mjd 1
30 1 2 . . . . . . . . . 12 . HB1 parsed_6mjd 1
31 1 1 . . . . . . . . . 20 . HB1 parsed_6mjd 1
31 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1
32 1 1 . . . . . . . . . 12 . HN parsed_6mjd 1
32 1 2 . . . . . . . . . 12 . HB2 parsed_6mjd 1
33 1 1 . . . . . . . . . 5 . HA parsed_6mjd 1
33 1 2 . . . . . . . . . 6 . HD2 parsed_6mjd 1
34 1 1 . . . . . . . . . 5 . HA parsed_6mjd 1
34 1 2 . . . . . . . . . 6 . HD1 parsed_6mjd 1
35 1 1 . . . . . . . . . 2 . HA parsed_6mjd 1
35 1 2 . . . . . . . . . 4 . HN parsed_6mjd 1
36 1 1 . . . . . . . . . 12 . HA parsed_6mjd 1
36 1 2 . . . . . . . . . 14 . HN parsed_6mjd 1
37 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1
37 1 2 . . . . . . . . . 13 . HD2 parsed_6mjd 1
38 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1
38 1 2 . . . . . . . . . 13 . HD1 parsed_6mjd 1
39 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1
39 1 2 . . . . . . . . . 14 . HD2 parsed_6mjd 1
40 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1
40 1 2 . . . . . . . . . 14 . HD1 parsed_6mjd 1
41 1 1 . . . . . . . . . 1 . HB2 parsed_6mjd 1
41 1 2 . . . . . . . . . 1 . HE parsed_6mjd 1
42 1 1 . . . . . . . . . 1 . HB1 parsed_6mjd 1
42 1 2 . . . . . . . . . 1 . HE parsed_6mjd 1
43 1 1 . . . . . . . . . 9 . HN parsed_6mjd 1
43 1 2 . . . . . . . . . 9 . HD2 parsed_6mjd 1
44 1 1 . . . . . . . . . 9 . HN parsed_6mjd 1
44 1 2 . . . . . . . . . 9 . HD1 parsed_6mjd 1
45 1 1 . . . . . . . . . 5 . HN parsed_6mjd 1
45 1 2 . . . . . . . . . 5 . HG2# parsed_6mjd 1
46 1 1 . . . . . . . . . 18 . HN parsed_6mjd 1
46 1 2 . . . . . . . . . 18 . HG parsed_6mjd 1
47 1 1 . . . . . . . . . 16 . HN parsed_6mjd 1
47 1 2 . . . . . . . . . 18 . HG parsed_6mjd 1
48 1 1 . . . . . . . . . 19 . HN parsed_6mjd 1
48 1 2 . . . . . . . . . 19 . HD2 parsed_6mjd 1
49 1 1 . . . . . . . . . 19 . HN parsed_6mjd 1
49 1 2 . . . . . . . . . 19 . HD1 parsed_6mjd 1
50 1 1 . . . . . . . . . 8 . HG2 parsed_6mjd 1
50 1 2 . . . . . . . . . 9 . HN parsed_6mjd 1
51 1 1 . . . . . . . . . 10 . HB1 parsed_6mjd 1
51 1 2 . . . . . . . . . 11 . HN parsed_6mjd 1
52 1 1 . . . . . . . . . 10 . HB2 parsed_6mjd 1
52 1 2 . . . . . . . . . 11 . HN parsed_6mjd 1
53 1 1 . . . . . . . . . 20 . HB2 parsed_6mjd 1
53 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1
54 1 1 . . . . . . . . . 16 . HN parsed_6mjd 1
54 1 2 . . . . . . . . . 17 . HD1 parsed_6mjd 1
55 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1
55 1 2 . . . . . . . . . 15 . HN parsed_6mjd 1
56 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1
56 1 2 . . . . . . . . . 14 . HE parsed_6mjd 1
57 1 1 . . . . . . . . . 11 . HN parsed_6mjd 1
57 1 2 . . . . . . . . . 12 . HN parsed_6mjd 1
58 1 1 . . . . . . . . . 20 . HN parsed_6mjd 1
58 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1
59 1 1 . . . . . . . . . 4 . HN parsed_6mjd 1
59 1 2 . . . . . . . . . 5 . HN parsed_6mjd 1
60 1 1 . . . . . . . . . 10 . HN parsed_6mjd 1
60 1 2 . . . . . . . . . 11 . HN parsed_6mjd 1
61 1 1 . . . . . . . . . 9 . HN parsed_6mjd 1
61 1 2 . . . . . . . . . 10 . HN parsed_6mjd 1
62 1 1 . . . . . . . . . 3 . HN parsed_6mjd 1
62 1 2 . . . . . . . . . 4 . HN parsed_6mjd 1
63 1 1 . . . . . . . . . 19 . HN parsed_6mjd 1
63 1 2 . . . . . . . . . 20 . HN parsed_6mjd 1
64 1 1 . . . . . . . . . 8 . HN parsed_6mjd 1
64 1 2 . . . . . . . . . 9 . HN parsed_6mjd 1
65 1 1 . . . . . . . . . 19 . HN parsed_6mjd 1
65 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1
66 1 1 . . . . . . . . . 18 . HN parsed_6mjd 1
66 1 2 . . . . . . . . . 19 . HN parsed_6mjd 1
67 1 1 . . . . . . . . . 8 . HG1 parsed_6mjd 1
67 1 2 . . . . . . . . . 10 . HN parsed_6mjd 1
68 1 1 . . . . . . . . . 18 . HB1 parsed_6mjd 1
68 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1
69 1 1 . . . . . . . . . 10 . HA parsed_6mjd 1
69 1 2 . . . . . . . . . 15 . HB2 parsed_6mjd 1
70 1 1 . . . . . . . . . 10 . HA parsed_6mjd 1
70 1 2 . . . . . . . . . 15 . HB1 parsed_6mjd 1
71 1 1 . . . . . . . . . 16 . HA parsed_6mjd 1
71 1 2 . . . . . . . . . 21 . HB1 parsed_6mjd 1
72 1 1 . . . . . . . . . 6 . HB2 parsed_6mjd 1
72 1 2 . . . . . . . . . 7 . HA parsed_6mjd 1
73 1 1 . . . . . . . . . 5 . HA parsed_6mjd 1
73 1 2 . . . . . . . . . 5 . HG2# parsed_6mjd 1
74 1 1 . . . . . . . . . 15 . HA parsed_6mjd 1
74 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1
75 1 1 . . . . . . . . . 18 . HA parsed_6mjd 1
75 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1
76 1 1 . . . . . . . . . 8 . HA parsed_6mjd 1
76 1 2 . . . . . . . . . 8 . HG1 parsed_6mjd 1
77 1 1 . . . . . . . . . 5 . HG2# parsed_6mjd 1
77 1 2 . . . . . . . . . 6 . HD2 parsed_6mjd 1
78 1 1 . . . . . . . . . 14 . HA parsed_6mjd 1
78 1 2 . . . . . . . . . 14 . HG2 parsed_6mjd 1
79 1 1 . . . . . . . . . 14 . HA parsed_6mjd 1
79 1 2 . . . . . . . . . 14 . HG1 parsed_6mjd 1
80 1 1 . . . . . . . . . 16 . HA parsed_6mjd 1
80 1 2 . . . . . . . . . 21 . HB2 parsed_6mjd 1
81 1 1 . . . . . . . . . 17 . HD2 parsed_6mjd 1
81 1 2 . . . . . . . . . 18 . HG parsed_6mjd 1
82 1 1 . . . . . . . . . 5 . HG2# parsed_6mjd 1
82 1 2 . . . . . . . . . 6 . HD1 parsed_6mjd 1
83 1 1 . . . . . . . . . 8 . HA parsed_6mjd 1
83 1 2 . . . . . . . . . 8 . HG2 parsed_6mjd 1
84 1 1 . . . . . . . . . 3 . HN parsed_6mjd 1
84 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1
85 1 1 . . . . . . . . . 15 . HA parsed_6mjd 1
85 1 2 . . . . . . . . . 18 . HG parsed_6mjd 1
86 1 1 . . . . . . . . . 12 . HN parsed_6mjd 1
86 1 2 . . . . . . . . . 13 . HN parsed_6mjd 1
87 1 1 . . . . . . . . . 15 . HN parsed_6mjd 1
87 1 2 . . . . . . . . . 16 . HN parsed_6mjd 1
88 1 1 . . . . . . . . . 18 . HB2 parsed_6mjd 1
88 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1
89 1 1 . . . . . . . . . 18 . HB2 parsed_6mjd 1
89 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1
90 1 1 . . . . . . . . . 18 . HB1 parsed_6mjd 1
90 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1
91 1 1 . . . . . . . . . 18 . HB1 parsed_6mjd 1
91 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1
92 1 1 . . . . . . . . . 3 . HB1 parsed_6mjd 1
92 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1
93 1 1 . . . . . . . . . 3 . HB2 parsed_6mjd 1
93 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1
94 1 1 . . . . . . . . . 18 . HA parsed_6mjd 1
94 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1
95 1 1 . . . . . . . . . 18 . HD2# parsed_6mjd 1
95 1 2 . . . . . . . . . 19 . HN parsed_6mjd 1
96 1 1 . . . . . . . . . 18 . HN parsed_6mjd 1
96 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1
97 1 1 . . . . . . . . . 18 . HN parsed_6mjd 1
97 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1
98 1 1 . . . . . . . . . 4 . HA parsed_6mjd 1
98 1 2 . . . . . . . . . 8 . HG2 parsed_6mjd 1
99 1 1 . . . . . . . . . 22 . HB# parsed_6mjd 1
99 1 2 . . . . . . . . . 23 . . parsed_6mjd 1
100 1 1 . . . . . . . . . 22 . HB# parsed_6mjd 1
100 1 2 . . . . . . . . . 23 . . parsed_6mjd 1
101 1 1 . . . . . . . . . 7 . HA parsed_6mjd 1
101 1 2 . . . . . . . . . 8 . HG2 parsed_6mjd 1
102 1 1 . . . . . . . . . 3 . HN parsed_6mjd 1
102 1 2 . . . . . . . . . 5 . HN parsed_6mjd 1
103 1 1 . . . . . . . . . 4 . HN parsed_6mjd 1
103 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1
104 1 1 . . . . . . . . . 4 . HA parsed_6mjd 1
104 1 2 . . . . . . . . . 8 . HD2 parsed_6mjd 1
105 1 1 . . . . . . . . . 4 . HA parsed_6mjd 1
105 1 2 . . . . . . . . . 8 . HD1 parsed_6mjd 1
106 1 1 . . . . . . . . . 18 . HD1# parsed_6mjd 1
106 1 2 . . . . . . . . . 20 . HN parsed_6mjd 1
107 1 1 . . . . . . . . . 18 . HD2# parsed_6mjd 1
107 1 2 . . . . . . . . . 20 . HN parsed_6mjd 1
108 1 1 . . . . . . . . . 18 . HD1# parsed_6mjd 1
108 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1
109 1 1 . . . . . . . . . 18 . HD1# parsed_6mjd 1
109 1 2 . . . . . . . . . 19 . HN parsed_6mjd 1
110 1 1 . . . . . . . . . 7 . HA parsed_6mjd 1
110 1 2 . . . . . . . . . 8 . HA parsed_6mjd 1
111 1 1 . . . . . . . . . 7 . HA parsed_6mjd 1
111 1 2 . . . . . . . . . 8 . HG1 parsed_6mjd 1
112 1 1 . . . . . . . . . 6 . HB1 parsed_6mjd 1
112 1 2 . . . . . . . . . 7 . HA parsed_6mjd 1
113 1 1 . . . . . . . . . 4 . HA parsed_6mjd 1
113 1 2 . . . . . . . . . 8 . HB1 parsed_6mjd 1
114 1 1 . . . . . . . . . 4 . HA parsed_6mjd 1
114 1 2 . . . . . . . . . 8 . HB2 parsed_6mjd 1
115 1 1 . . . . . . . . . 17 . HD1 parsed_6mjd 1
115 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1
116 1 1 . . . . . . . . . 1 . HA parsed_6mjd 1
116 1 2 . . . . . . . . . 1 . HG# parsed_6mjd 1
117 1 1 . . . . . . . . . 1 . HB# parsed_6mjd 1
117 1 2 . . . . . . . . . 1 . HD# parsed_6mjd 1
118 1 1 . . . . . . . . . 1 . HB# parsed_6mjd 1
118 1 2 . . . . . . . . . 1 . HE parsed_6mjd 1
119 1 1 . . . . . . . . . 1 . HB# parsed_6mjd 1
119 1 2 . . . . . . . . . 3 . HN parsed_6mjd 1
120 1 1 . . . . . . . . . 1 . HG# parsed_6mjd 1
120 1 2 . . . . . . . . . 3 . HN parsed_6mjd 1
121 1 1 . . . . . . . . . 2 . HB# parsed_6mjd 1
121 1 2 . . . . . . . . . 3 . HN parsed_6mjd 1
122 1 1 . . . . . . . . . 2 . HB# parsed_6mjd 1
122 1 2 . . . . . . . . . 5 . HN parsed_6mjd 1
123 1 1 . . . . . . . . . 2 . HB# parsed_6mjd 1
123 1 2 . . . . . . . . . 5 . HB parsed_6mjd 1
124 1 1 . . . . . . . . . 3 . HN parsed_6mjd 1
124 1 2 . . . . . . . . . 3 . HB# parsed_6mjd 1
125 1 1 . . . . . . . . . 3 . HB# parsed_6mjd 1
125 1 2 . . . . . . . . . 4 . HN parsed_6mjd 1
126 1 1 . . . . . . . . . 3 . HB# parsed_6mjd 1
126 1 2 . . . . . . . . . 5 . HN parsed_6mjd 1
127 1 1 . . . . . . . . . 3 . HB# parsed_6mjd 1
127 1 2 . . . . . . . . . 18 . HB# parsed_6mjd 1
128 1 1 . . . . . . . . . 3 . HB# parsed_6mjd 1
128 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1
129 1 1 . . . . . . . . . 3 . HB# parsed_6mjd 1
129 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1
130 1 1 . . . . . . . . . 4 . HN parsed_6mjd 1
130 1 2 . . . . . . . . . 4 . HB# parsed_6mjd 1
131 1 1 . . . . . . . . . 4 . HA parsed_6mjd 1
131 1 2 . . . . . . . . . 8 . HD# parsed_6mjd 1
132 1 1 . . . . . . . . . 5 . HG2# parsed_6mjd 1
132 1 2 . . . . . . . . . 6 . HD# parsed_6mjd 1
133 1 1 . . . . . . . . . 6 . HA parsed_6mjd 1
133 1 2 . . . . . . . . . 8 . HD# parsed_6mjd 1
134 1 1 . . . . . . . . . 6 . HB# parsed_6mjd 1
134 1 2 . . . . . . . . . 7 . HA parsed_6mjd 1
135 1 1 . . . . . . . . . 7 . HB# parsed_6mjd 1
135 1 2 . . . . . . . . . 8 . HN parsed_6mjd 1
136 1 1 . . . . . . . . . 8 . HN parsed_6mjd 1
136 1 2 . . . . . . . . . 8 . HB# parsed_6mjd 1
137 1 1 . . . . . . . . . 8 . HB# parsed_6mjd 1
137 1 2 . . . . . . . . . 8 . HE# parsed_6mjd 1
138 1 1 . . . . . . . . . 8 . HB# parsed_6mjd 1
138 1 2 . . . . . . . . . 9 . HN parsed_6mjd 1
139 1 1 . . . . . . . . . 8 . HB# parsed_6mjd 1
139 1 2 . . . . . . . . . 10 . HN parsed_6mjd 1
140 1 1 . . . . . . . . . 9 . HN parsed_6mjd 1
140 1 2 . . . . . . . . . 9 . HB# parsed_6mjd 1
141 1 1 . . . . . . . . . 9 . HN parsed_6mjd 1
141 1 2 . . . . . . . . . 9 . HG# parsed_6mjd 1
142 1 1 . . . . . . . . . 10 . HN parsed_6mjd 1
142 1 2 . . . . . . . . . 10 . HB# parsed_6mjd 1
143 1 1 . . . . . . . . . 10 . HN parsed_6mjd 1
143 1 2 . . . . . . . . . 11 . HB# parsed_6mjd 1
144 1 1 . . . . . . . . . 10 . HA parsed_6mjd 1
144 1 2 . . . . . . . . . 15 . HB# parsed_6mjd 1
145 1 1 . . . . . . . . . 10 . HB# parsed_6mjd 1
145 1 2 . . . . . . . . . 11 . HN parsed_6mjd 1
146 1 1 . . . . . . . . . 11 . HN parsed_6mjd 1
146 1 2 . . . . . . . . . 11 . HB# parsed_6mjd 1
147 1 1 . . . . . . . . . 11 . HN parsed_6mjd 1
147 1 2 . . . . . . . . . 11 . HG# parsed_6mjd 1
148 1 1 . . . . . . . . . 11 . HG# parsed_6mjd 1
148 1 2 . . . . . . . . . 12 . HN parsed_6mjd 1
149 1 1 . . . . . . . . . 12 . HA parsed_6mjd 1
149 1 2 . . . . . . . . . 13 . HB# parsed_6mjd 1
150 1 1 . . . . . . . . . 12 . HB# parsed_6mjd 1
150 1 2 . . . . . . . . . 13 . HN parsed_6mjd 1
151 1 1 . . . . . . . . . 12 . HB# parsed_6mjd 1
151 1 2 . . . . . . . . . 14 . HN parsed_6mjd 1
152 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1
152 1 2 . . . . . . . . . 13 . HB# parsed_6mjd 1
153 1 1 . . . . . . . . . 13 . HN parsed_6mjd 1
153 1 2 . . . . . . . . . 13 . HG# parsed_6mjd 1
154 1 1 . . . . . . . . . 13 . HA parsed_6mjd 1
154 1 2 . . . . . . . . . 13 . HG# parsed_6mjd 1
155 1 1 . . . . . . . . . 13 . HB# parsed_6mjd 1
155 1 2 . . . . . . . . . 13 . HD# parsed_6mjd 1
156 1 1 . . . . . . . . . 13 . HB# parsed_6mjd 1
156 1 2 . . . . . . . . . 16 . HN parsed_6mjd 1
157 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1
157 1 2 . . . . . . . . . 14 . HB# parsed_6mjd 1
158 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1
158 1 2 . . . . . . . . . 14 . HG# parsed_6mjd 1
159 1 1 . . . . . . . . . 14 . HN parsed_6mjd 1
159 1 2 . . . . . . . . . 14 . HD# parsed_6mjd 1
160 1 1 . . . . . . . . . 14 . HA parsed_6mjd 1
160 1 2 . . . . . . . . . 14 . HG# parsed_6mjd 1
161 1 1 . . . . . . . . . 14 . HB# parsed_6mjd 1
161 1 2 . . . . . . . . . 14 . HE parsed_6mjd 1
162 1 1 . . . . . . . . . 15 . HN parsed_6mjd 1
162 1 2 . . . . . . . . . 15 . HB# parsed_6mjd 1
163 1 1 . . . . . . . . . 15 . HB# parsed_6mjd 1
163 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1
164 1 1 . . . . . . . . . 15 . HB# parsed_6mjd 1
164 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1
165 1 1 . . . . . . . . . 16 . HA parsed_6mjd 1
165 1 2 . . . . . . . . . 21 . HB# parsed_6mjd 1
166 1 1 . . . . . . . . . 17 . HG parsed_6mjd 1
166 1 2 . . . . . . . . . 18 . HD1# parsed_6mjd 1
167 1 1 . . . . . . . . . 17 . HG parsed_6mjd 1
167 1 2 . . . . . . . . . 18 . HD2# parsed_6mjd 1
168 1 1 . . . . . . . . . 18 . HN parsed_6mjd 1
168 1 2 . . . . . . . . . 18 . HB# parsed_6mjd 1
169 1 1 . . . . . . . . . 18 . HB# parsed_6mjd 1
169 1 2 . . . . . . . . . 19 . HN parsed_6mjd 1
170 1 1 . . . . . . . . . 18 . HB# parsed_6mjd 1
170 1 2 . . . . . . . . . 20 . HN parsed_6mjd 1
171 1 1 . . . . . . . . . 18 . HB# parsed_6mjd 1
171 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1
172 1 1 . . . . . . . . . 19 . HN parsed_6mjd 1
172 1 2 . . . . . . . . . 19 . HG# parsed_6mjd 1
173 1 1 . . . . . . . . . 19 . HN parsed_6mjd 1
173 1 2 . . . . . . . . . 20 . HB# parsed_6mjd 1
174 1 1 . . . . . . . . . 19 . HA parsed_6mjd 1
174 1 2 . . . . . . . . . 19 . HG# parsed_6mjd 1
175 1 1 . . . . . . . . . 20 . HN parsed_6mjd 1
175 1 2 . . . . . . . . . 20 . HB# parsed_6mjd 1
176 1 1 . . . . . . . . . 20 . HB# parsed_6mjd 1
176 1 2 . . . . . . . . . 21 . HN parsed_6mjd 1
177 1 1 . . . . . . . . . 21 . HN parsed_6mjd 1
177 1 2 . . . . . . . . . 21 . HB# parsed_6mjd 1
178 1 1 . . . . . . . . . 21 . HB# parsed_6mjd 1
178 1 2 . . . . . . . . . 22 . HN parsed_6mjd 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 . . . . . 2.560 1.800 3.320 parsed_6mjd 1
2 1 . . . . . 2.370 1.800 2.940 parsed_6mjd 1
3 1 . . . . . 2.330 1.800 2.860 parsed_6mjd 1
4 1 . . . . . 2.370 1.800 2.940 parsed_6mjd 1
5 1 . . . . . 3.005 1.800 4.210 parsed_6mjd 1
6 1 . . . . . 3.200 1.800 4.600 parsed_6mjd 1
7 1 . . . . . 2.530 1.800 3.260 parsed_6mjd 1
8 1 . . . . . 3.305 1.800 4.810 parsed_6mjd 1
9 1 . . . . . 2.780 1.800 3.760 parsed_6mjd 1
10 1 . . . . . 3.350 1.800 4.900 parsed_6mjd 1
11 1 . . . . . 3.350 1.800 4.900 parsed_6mjd 1
12 1 . . . . . 2.870 1.800 3.940 parsed_6mjd 1
13 1 . . . . . 3.145 1.800 4.490 parsed_6mjd 1
14 1 . . . . . 3.145 1.800 4.490 parsed_6mjd 1
15 1 . . . . . 2.870 1.800 3.940 parsed_6mjd 1
16 1 . . . . . 2.840 1.800 3.880 parsed_6mjd 1
17 1 . . . . . 2.555 1.800 3.310 parsed_6mjd 1
18 1 . . . . . 2.850 1.800 3.900 parsed_6mjd 1
19 1 . . . . . 2.850 1.800 3.900 parsed_6mjd 1
20 1 . . . . . 2.700 1.800 3.600 parsed_6mjd 1
21 1 . . . . . 2.700 1.800 3.600 parsed_6mjd 1
22 1 . . . . . 3.090 1.800 4.380 parsed_6mjd 1
23 1 . . . . . 3.090 1.800 4.380 parsed_6mjd 1
24 1 . . . . . 2.890 1.800 3.980 parsed_6mjd 1
25 1 . . . . . 2.890 1.800 3.980 parsed_6mjd 1
26 1 . . . . . 2.510 1.800 3.220 parsed_6mjd 1
27 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
28 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
29 1 . . . . . 3.185 1.800 4.570 parsed_6mjd 1
30 1 . . . . . 2.550 1.800 3.300 parsed_6mjd 1
31 1 . . . . . 3.565 1.800 5.330 parsed_6mjd 1
32 1 . . . . . 2.550 1.800 3.300 parsed_6mjd 1
33 1 . . . . . 2.800 2.000 3.600 parsed_6mjd 1
34 1 . . . . . 2.570 1.800 3.340 parsed_6mjd 1
35 1 . . . . . 3.510 1.800 5.220 parsed_6mjd 1
36 1 . . . . . 3.380 1.800 4.960 parsed_6mjd 1
37 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
38 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
39 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
40 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
41 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
42 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
43 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
44 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
45 1 . . . . . 3.000 1.800 4.200 parsed_6mjd 1
46 1 . . . . . 2.545 1.800 3.290 parsed_6mjd 1
47 1 . . . . . 3.135 1.800 4.470 parsed_6mjd 1
48 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
49 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
50 1 . . . . . 3.435 1.800 5.070 parsed_6mjd 1
51 1 . . . . . 3.480 1.800 5.160 parsed_6mjd 1
52 1 . . . . . 3.480 1.800 5.160 parsed_6mjd 1
53 1 . . . . . 3.565 1.800 5.330 parsed_6mjd 1
54 1 . . . . . 2.870 1.800 3.940 parsed_6mjd 1
55 1 . . . . . 2.580 1.800 3.360 parsed_6mjd 1
56 1 . . . . . 3.520 1.800 5.240 parsed_6mjd 1
57 1 . . . . . 2.685 1.800 3.570 parsed_6mjd 1
58 1 . . . . . 2.760 1.800 3.720 parsed_6mjd 1
59 1 . . . . . 2.685 1.800 3.570 parsed_6mjd 1
60 1 . . . . . 3.085 1.800 4.370 parsed_6mjd 1
61 1 . . . . . 3.140 1.800 4.480 parsed_6mjd 1
62 1 . . . . . 2.820 1.800 3.840 parsed_6mjd 1
63 1 . . . . . 2.855 1.800 3.910 parsed_6mjd 1
64 1 . . . . . 3.540 1.800 5.280 parsed_6mjd 1
65 1 . . . . . 3.530 1.800 5.260 parsed_6mjd 1
66 1 . . . . . 3.585 1.800 5.370 parsed_6mjd 1
67 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
68 1 . . . . . 3.185 1.800 4.570 parsed_6mjd 1
69 1 . . . . . 2.845 1.800 3.890 parsed_6mjd 1
70 1 . . . . . 2.845 1.800 3.890 parsed_6mjd 1
71 1 . . . . . 3.045 1.800 4.290 parsed_6mjd 1
72 1 . . . . . 2.885 1.800 3.970 parsed_6mjd 1
73 1 . . . . . 2.630 1.800 3.460 parsed_6mjd 1
74 1 . . . . . 2.760 1.800 3.720 parsed_6mjd 1
75 1 . . . . . 2.530 1.800 3.260 parsed_6mjd 1
76 1 . . . . . 2.735 1.800 3.670 parsed_6mjd 1
77 1 . . . . . 2.905 1.800 4.010 parsed_6mjd 1
78 1 . . . . . 2.920 1.800 4.040 parsed_6mjd 1
79 1 . . . . . 2.920 1.800 4.040 parsed_6mjd 1
80 1 . . . . . 3.045 1.800 4.290 parsed_6mjd 1
81 1 . . . . . 2.870 1.800 3.940 parsed_6mjd 1
82 1 . . . . . 2.905 1.800 4.010 parsed_6mjd 1
83 1 . . . . . 2.960 1.800 4.120 parsed_6mjd 1
84 1 . . . . . 3.545 1.800 5.290 parsed_6mjd 1
85 1 . . . . . 2.920 1.800 4.040 parsed_6mjd 1
86 1 . . . . . 3.465 1.800 5.130 parsed_6mjd 1
87 1 . . . . . 2.935 1.800 4.070 parsed_6mjd 1
88 1 . . . . . 2.705 1.800 3.610 parsed_6mjd 1
89 1 . . . . . 2.940 1.800 4.080 parsed_6mjd 1
90 1 . . . . . 2.940 1.800 4.080 parsed_6mjd 1
91 1 . . . . . 2.705 1.800 3.610 parsed_6mjd 1
92 1 . . . . . 2.775 1.800 3.750 parsed_6mjd 1
93 1 . . . . . 2.775 1.800 3.750 parsed_6mjd 1
94 1 . . . . . 3.365 1.800 4.930 parsed_6mjd 1
95 1 . . . . . 3.095 1.800 4.390 parsed_6mjd 1
96 1 . . . . . 3.110 1.800 4.420 parsed_6mjd 1
97 1 . . . . . 3.170 1.800 4.540 parsed_6mjd 1
98 1 . . . . . 3.025 1.800 4.250 parsed_6mjd 1
99 1 . . . . . 3.480 1.800 5.160 parsed_6mjd 1
100 1 . . . . . 3.580 1.800 5.360 parsed_6mjd 1
101 1 . . . . . 3.200 1.800 4.600 parsed_6mjd 1
102 1 . . . . . 3.625 1.800 5.450 parsed_6mjd 1
103 1 . . . . . 3.600 1.800 5.400 parsed_6mjd 1
104 1 . . . . . 3.160 1.800 4.520 parsed_6mjd 1
105 1 . . . . . 3.160 1.800 4.520 parsed_6mjd 1
106 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
107 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
108 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
109 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
110 1 . . . . . 3.335 1.800 4.870 parsed_6mjd 1
111 1 . . . . . 3.040 1.800 4.280 parsed_6mjd 1
112 1 . . . . . 2.885 1.800 3.970 parsed_6mjd 1
113 1 . . . . . 3.505 1.800 5.210 parsed_6mjd 1
114 1 . . . . . 3.505 1.800 5.210 parsed_6mjd 1
115 1 . . . . . 3.650 1.800 5.500 parsed_6mjd 1
116 1 . . . . . 2.715 1.800 3.630 parsed_6mjd 1
117 1 . . . . . 2.500 1.800 3.200 parsed_6mjd 1
118 1 . . . . . 3.265 1.800 4.730 parsed_6mjd 1
119 1 . . . . . 3.570 1.800 5.340 parsed_6mjd 1
120 1 . . . . . 3.570 1.800 5.340 parsed_6mjd 1
121 1 . . . . . 2.745 1.800 3.690 parsed_6mjd 1
122 1 . . . . . 3.135 1.800 4.470 parsed_6mjd 1
123 1 . . . . . 3.045 1.800 4.290 parsed_6mjd 1
124 1 . . . . . 2.530 1.800 3.260 parsed_6mjd 1
125 1 . . . . . 3.085 1.800 4.370 parsed_6mjd 1
126 1 . . . . . 3.570 1.800 5.340 parsed_6mjd 1
127 1 . . . . . 3.490 1.800 5.180 parsed_6mjd 1
128 1 . . . . . 2.510 1.800 3.220 parsed_6mjd 1
129 1 . . . . . 3.105 1.800 4.410 parsed_6mjd 1
130 1 . . . . . 2.520 1.800 3.240 parsed_6mjd 1
131 1 . . . . . 2.850 1.800 3.900 parsed_6mjd 1
132 1 . . . . . 2.565 1.800 3.330 parsed_6mjd 1
133 1 . . . . . 3.500 2.000 5.000 parsed_6mjd 1
134 1 . . . . . 2.630 1.800 3.460 parsed_6mjd 1
135 1 . . . . . 2.875 1.800 3.950 parsed_6mjd 1
136 1 . . . . . 2.570 1.800 3.340 parsed_6mjd 1
137 1 . . . . . 3.270 1.800 4.740 parsed_6mjd 1
138 1 . . . . . 3.005 1.800 4.210 parsed_6mjd 1
139 1 . . . . . 3.365 1.800 4.930 parsed_6mjd 1
140 1 . . . . . 2.555 1.800 3.310 parsed_6mjd 1
141 1 . . . . . 2.955 1.800 4.110 parsed_6mjd 1
142 1 . . . . . 2.720 1.800 3.640 parsed_6mjd 1
143 1 . . . . . 3.500 1.800 5.200 parsed_6mjd 1
144 1 . . . . . 2.500 1.800 3.200 parsed_6mjd 1
145 1 . . . . . 3.140 1.800 4.480 parsed_6mjd 1
146 1 . . . . . 2.585 1.800 3.370 parsed_6mjd 1
147 1 . . . . . 2.980 1.800 4.160 parsed_6mjd 1
148 1 . . . . . 3.445 1.800 5.090 parsed_6mjd 1
149 1 . . . . . 3.570 1.800 5.340 parsed_6mjd 1
150 1 . . . . . 2.985 1.800 4.170 parsed_6mjd 1
151 1 . . . . . 2.930 1.800 4.060 parsed_6mjd 1
152 1 . . . . . 2.475 1.800 3.150 parsed_6mjd 1
153 1 . . . . . 2.725 1.800 3.650 parsed_6mjd 1
154 1 . . . . . 2.740 1.800 3.680 parsed_6mjd 1
155 1 . . . . . 2.560 1.800 3.320 parsed_6mjd 1
156 1 . . . . . 3.115 1.800 4.430 parsed_6mjd 1
157 1 . . . . . 2.410 1.800 3.020 parsed_6mjd 1
158 1 . . . . . 2.610 1.800 3.420 parsed_6mjd 1
159 1 . . . . . 3.300 1.800 4.800 parsed_6mjd 1
160 1 . . . . . 2.630 1.800 3.460 parsed_6mjd 1
161 1 . . . . . 3.325 1.800 4.850 parsed_6mjd 1
162 1 . . . . . 2.675 1.800 3.550 parsed_6mjd 1
163 1 . . . . . 3.250 1.800 4.700 parsed_6mjd 1
164 1 . . . . . 3.570 1.800 5.340 parsed_6mjd 1
165 1 . . . . . 2.780 1.800 3.760 parsed_6mjd 1
166 1 . . . . . 3.535 1.800 5.270 parsed_6mjd 1
167 1 . . . . . 3.385 1.800 4.970 parsed_6mjd 1
168 1 . . . . . 2.670 1.800 3.540 parsed_6mjd 1
169 1 . . . . . 2.625 1.800 3.450 parsed_6mjd 1
170 1 . . . . . 2.815 1.800 3.830 parsed_6mjd 1
171 1 . . . . . 2.820 1.800 3.840 parsed_6mjd 1
172 1 . . . . . 3.155 1.800 4.510 parsed_6mjd 1
173 1 . . . . . 3.430 1.800 5.060 parsed_6mjd 1
174 1 . . . . . 2.725 1.800 3.650 parsed_6mjd 1
175 1 . . . . . 2.450 1.800 3.100 parsed_6mjd 1
176 1 . . . . . 3.140 1.800 4.480 parsed_6mjd 1
177 1 . . . . . 2.475 1.800 3.150 parsed_6mjd 1
178 1 . . . . . 3.100 1.800 4.400 parsed_6mjd 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" 2 1 2 21 parsed_6mjd 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: giiicpdb.restraints" 1 1 1 40 parsed_6mjd 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6mjd
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6mjd 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6mjd 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6mjd 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6mjd 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6mjd 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6mjd 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6mjd 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6mjd 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6mjd 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6mjd 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6mjd 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6mjd 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -40.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6mjd 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -45.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6mjd 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6mjd 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6mjd 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6mjd 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6mjd 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6mjd 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -60.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6mjd 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 40.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6mjd 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -20.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6mjd 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -20.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_6mjd 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_6mjd 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -40.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6mjd 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6mjd 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_6mjd 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_6mjd 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . SG parsed_6mjd 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -30.0 . . 10 . N . 10 . CA . 10 . CB . 10 . SG parsed_6mjd 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -30.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_6mjd 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG parsed_6mjd 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -30.0 . . 21 . N . 21 . CA . 21 . CB . 21 . SG parsed_6mjd 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" 1 1 1 21 parsed_6mjd 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6mjd
_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_6mjd 2
2 1 . . . parsed_6mjd 2
3 1 . . . parsed_6mjd 2
4 1 . . . parsed_6mjd 2
5 1 . . . parsed_6mjd 2
6 1 . . . parsed_6mjd 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 . . . . . . . . . 15 . HN parsed_6mjd 2
1 1 2 . . . . . . . . . 12 . O parsed_6mjd 2
2 1 1 . . . . . . . . . 15 . N parsed_6mjd 2
2 1 2 . . . . . . . . . 12 . O parsed_6mjd 2
3 1 1 . . . . . . . . . 16 . HN parsed_6mjd 2
3 1 2 . . . . . . . . . 13 . O parsed_6mjd 2
4 1 1 . . . . . . . . . 16 . N parsed_6mjd 2
4 1 2 . . . . . . . . . 13 . O parsed_6mjd 2
5 1 1 . . . . . . . . . 21 . HN parsed_6mjd 2
5 1 2 . . . . . . . . . 18 . O parsed_6mjd 2
6 1 1 . . . . . . . . . 21 . N parsed_6mjd 2
6 1 2 . . . . . . . . . 18 . O parsed_6mjd 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 . . . . . 0 0 2 parsed_6mjd 2
2 1 . . . . . 0 0 3 parsed_6mjd 2
3 1 . . . . . 0 0 2 parsed_6mjd 2
4 1 . . . . . 0 0 3 parsed_6mjd 2
5 1 . . . . . 0 0 2 parsed_6mjd 2
6 1 . . . . . 0 0 3 parsed_6mjd 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 "hbond restraints" 1 1 1 18 parsed_6mjd 2
stop_
save_