NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
570340 |
2mg6   |
19587 | cing | 2-parsed | STAR | entry | full | 188 |
data_2mg6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mg6
_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_2mg6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mg6
_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 2mg6 "Master copy" parsed_2mg6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mg6
_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 2mg6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mg6 1
1 2mg6.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 0 parsed_2mg6 1
1 2mg6.mr . . XPLOR/CNS 3 distance NOE simple 167 parsed_2mg6 1
1 2mg6.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 21 parsed_2mg6 1
1 2mg6.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mg6 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_2mg6
_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 28-OCT-13 2MG6
*TITLE NON-REDUCIBLE ANALOGUES OF ALPHA-CONOTOXIN VC1.1: [3,16]-TRANS DICARBA
*TITLE 2 VC1.1
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ALPHA-CONOTOXIN VC1A;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: ACV1, ALPHA-VC1A, VC1.1;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: CONUS VICTORIAE;
*SOURCE 4 ORGANISM_COMMON: QUEEN VICTORIA CONE SNAIL;
*SOURCE 5 ORGANISM_TAXID: 319920;
*SOURCE 6 OTHER_DETAILS: VENOM
*KEYWDS DICARBA, TOXIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR S.D.ROBINSON, C.A.MACRAILD, B.J.VAN LIEROP, A.J.ROBINSON, R.S.NORTON
*REVDAT 1 18-DEC-13 2MG6 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mg6
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
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
;
assign (resid 5 and name N )
(resid 5 and name HN )
(resid 2 and name O )
;
2 1 4 29 parsed_2mg6 1
2
;
assign (resid 4 and name N )
(resid 4 and name HN )
(resid 1 and name O )
;
5 1 7 29 parsed_2mg6 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mg6
_Distance_constraint_list.ID 2
_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_2mg6 2
2 1 . . . parsed_2mg6 2
3 1 . . . parsed_2mg6 2
4 1 . . . parsed_2mg6 2
5 1 . . . parsed_2mg6 2
6 1 . . . parsed_2mg6 2
7 1 . . . parsed_2mg6 2
8 1 . . . parsed_2mg6 2
9 1 . . . parsed_2mg6 2
10 1 . . . parsed_2mg6 2
11 1 . . . parsed_2mg6 2
12 1 . . . parsed_2mg6 2
13 1 . . . parsed_2mg6 2
14 1 . . . parsed_2mg6 2
15 1 . . . parsed_2mg6 2
16 1 . . . parsed_2mg6 2
17 1 . . . parsed_2mg6 2
18 1 . . . parsed_2mg6 2
19 1 . . . parsed_2mg6 2
20 1 . . . parsed_2mg6 2
21 1 . . . parsed_2mg6 2
22 1 . . . parsed_2mg6 2
23 1 . . . parsed_2mg6 2
24 1 . . . parsed_2mg6 2
25 1 . . . parsed_2mg6 2
26 1 . . . parsed_2mg6 2
27 1 . . . parsed_2mg6 2
28 1 . . . parsed_2mg6 2
29 1 . . . parsed_2mg6 2
30 1 . . . parsed_2mg6 2
31 1 . . . parsed_2mg6 2
32 1 . . . parsed_2mg6 2
33 1 . . . parsed_2mg6 2
34 1 . . . parsed_2mg6 2
35 1 . . . parsed_2mg6 2
36 1 . . . parsed_2mg6 2
37 1 . . . parsed_2mg6 2
38 1 . . . parsed_2mg6 2
39 1 . . . parsed_2mg6 2
40 1 . . . parsed_2mg6 2
41 1 . . . parsed_2mg6 2
42 1 . . . parsed_2mg6 2
43 1 . . . parsed_2mg6 2
44 1 . . . parsed_2mg6 2
45 1 . . . parsed_2mg6 2
46 1 . . . parsed_2mg6 2
47 1 . . . parsed_2mg6 2
48 1 . . . parsed_2mg6 2
49 1 . . . parsed_2mg6 2
50 1 . . . parsed_2mg6 2
51 1 . . . parsed_2mg6 2
52 1 . . . parsed_2mg6 2
53 1 . . . parsed_2mg6 2
54 1 . . . parsed_2mg6 2
55 1 . . . parsed_2mg6 2
56 1 . . . parsed_2mg6 2
57 1 . . . parsed_2mg6 2
58 1 . . . parsed_2mg6 2
59 1 . . . parsed_2mg6 2
60 1 . . . parsed_2mg6 2
61 1 . . . parsed_2mg6 2
62 1 . . . parsed_2mg6 2
63 1 . . . parsed_2mg6 2
64 1 . . . parsed_2mg6 2
65 1 . . . parsed_2mg6 2
66 1 . . . parsed_2mg6 2
67 1 . . . parsed_2mg6 2
68 1 . . . parsed_2mg6 2
69 1 . . . parsed_2mg6 2
70 1 . . . parsed_2mg6 2
71 1 . . . parsed_2mg6 2
72 1 . . . parsed_2mg6 2
73 1 . . . parsed_2mg6 2
74 1 . . . parsed_2mg6 2
75 1 . . . parsed_2mg6 2
76 1 . . . parsed_2mg6 2
77 1 . . . parsed_2mg6 2
78 1 . . . parsed_2mg6 2
79 1 . . . parsed_2mg6 2
80 1 . . . parsed_2mg6 2
81 1 . . . parsed_2mg6 2
82 1 . . . parsed_2mg6 2
83 1 . . . parsed_2mg6 2
84 1 . . . parsed_2mg6 2
85 1 . . . parsed_2mg6 2
86 1 . . . parsed_2mg6 2
87 1 . . . parsed_2mg6 2
88 1 . . . parsed_2mg6 2
89 1 . . . parsed_2mg6 2
90 1 . . . parsed_2mg6 2
91 1 . . . parsed_2mg6 2
92 1 . . . parsed_2mg6 2
93 1 . . . parsed_2mg6 2
94 1 . . . parsed_2mg6 2
95 1 . . . parsed_2mg6 2
96 1 . . . parsed_2mg6 2
97 1 . . . parsed_2mg6 2
98 1 . . . parsed_2mg6 2
99 1 . . . parsed_2mg6 2
100 1 . . . parsed_2mg6 2
101 1 . . . parsed_2mg6 2
102 1 . . . parsed_2mg6 2
103 1 . . . parsed_2mg6 2
104 1 . . . parsed_2mg6 2
105 1 . . . parsed_2mg6 2
106 1 . . . parsed_2mg6 2
107 1 . . . parsed_2mg6 2
108 1 . . . parsed_2mg6 2
109 1 . . . parsed_2mg6 2
110 1 . . . parsed_2mg6 2
111 1 . . . parsed_2mg6 2
112 1 . . . parsed_2mg6 2
113 1 . . . parsed_2mg6 2
114 1 . . . parsed_2mg6 2
115 1 . . . parsed_2mg6 2
116 1 . . . parsed_2mg6 2
117 1 . . . parsed_2mg6 2
118 1 . . . parsed_2mg6 2
119 1 . . . parsed_2mg6 2
120 1 . . . parsed_2mg6 2
121 1 . . . parsed_2mg6 2
122 1 . . . parsed_2mg6 2
123 1 . . . parsed_2mg6 2
124 1 . . . parsed_2mg6 2
125 1 . . . parsed_2mg6 2
126 1 . . . parsed_2mg6 2
127 1 . . . parsed_2mg6 2
128 1 . . . parsed_2mg6 2
129 1 . . . parsed_2mg6 2
130 1 . . . parsed_2mg6 2
131 1 . . . parsed_2mg6 2
132 1 . . . parsed_2mg6 2
133 1 . . . parsed_2mg6 2
134 1 . . . parsed_2mg6 2
135 1 . . . parsed_2mg6 2
136 1 . . . parsed_2mg6 2
137 1 . . . parsed_2mg6 2
138 1 . . . parsed_2mg6 2
139 1 . . . parsed_2mg6 2
140 1 . . . parsed_2mg6 2
141 1 . . . parsed_2mg6 2
142 1 . . . parsed_2mg6 2
143 1 . . . parsed_2mg6 2
144 1 . . . parsed_2mg6 2
145 1 . . . parsed_2mg6 2
146 1 . . . parsed_2mg6 2
147 1 . . . parsed_2mg6 2
148 1 . . . parsed_2mg6 2
149 1 . . . parsed_2mg6 2
150 1 . . . parsed_2mg6 2
151 1 . . . parsed_2mg6 2
152 1 . . . parsed_2mg6 2
153 1 . . . parsed_2mg6 2
154 1 . . . parsed_2mg6 2
155 1 . . . parsed_2mg6 2
156 1 . . . parsed_2mg6 2
157 1 . . . parsed_2mg6 2
158 1 . . . parsed_2mg6 2
159 1 . . . parsed_2mg6 2
160 1 . . . parsed_2mg6 2
161 1 . . . parsed_2mg6 2
162 1 . . . parsed_2mg6 2
163 1 . . . parsed_2mg6 2
164 1 . . . parsed_2mg6 2
165 1 . . . parsed_2mg6 2
166 1 . . . parsed_2mg6 2
167 1 . . . parsed_2mg6 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 . . . . . . . . . 7 . HN parsed_2mg6 2
1 1 2 . . . . . . . . . 7 . HB2 parsed_2mg6 2
2 1 1 . . . . . . . . . 7 . HN parsed_2mg6 2
2 1 2 . . . . . . . . . 7 . HB1 parsed_2mg6 2
3 1 1 . . . . . . . . . 15 . HN parsed_2mg6 2
3 1 2 . . . . . . . . . 15 . HB parsed_2mg6 2
4 1 1 . . . . . . . . . 7 . HB2 parsed_2mg6 2
4 1 2 . . . . . . . . . 7 . HE parsed_2mg6 2
5 1 1 . . . . . . . . . 7 . HB1 parsed_2mg6 2
5 1 2 . . . . . . . . . 7 . HE parsed_2mg6 2
6 1 1 . . . . . . . . . 15 . HN parsed_2mg6 2
6 1 2 . . . . . . . . . 15 . HG2* parsed_2mg6 2
7 1 1 . . . . . . . . . 11 . HN parsed_2mg6 2
7 1 2 . . . . . . . . . 11 . HB2 parsed_2mg6 2
8 1 1 . . . . . . . . . 11 . HN parsed_2mg6 2
8 1 2 . . . . . . . . . 11 . HB1 parsed_2mg6 2
9 1 1 . . . . . . . . . 16 . HN parsed_2mg6 2
9 1 2 . . . . . . . . . 16 . HB2 parsed_2mg6 2
10 1 1 . . . . . . . . . 5 . HN parsed_2mg6 2
10 1 2 . . . . . . . . . 5 . HB1 parsed_2mg6 2
11 1 1 . . . . . . . . . 5 . HN parsed_2mg6 2
11 1 2 . . . . . . . . . 5 . HB2 parsed_2mg6 2
12 1 1 . . . . . . . . . 12 . HN parsed_2mg6 2
12 1 2 . . . . . . . . . 12 . HB1 parsed_2mg6 2
13 1 1 . . . . . . . . . 12 . HN parsed_2mg6 2
13 1 2 . . . . . . . . . 12 . HB2 parsed_2mg6 2
14 1 1 . . . . . . . . . 2 . HN parsed_2mg6 2
14 1 2 . . . . . . . . . 2 . HB1 parsed_2mg6 2
15 1 1 . . . . . . . . . 14 . HN parsed_2mg6 2
15 1 2 . . . . . . . . . 14 . HG1 parsed_2mg6 2
16 1 1 . . . . . . . . . 14 . HN parsed_2mg6 2
16 1 2 . . . . . . . . . 14 . HG2 parsed_2mg6 2
17 1 1 . . . . . . . . . 14 . HN parsed_2mg6 2
17 1 2 . . . . . . . . . 14 . HB1 parsed_2mg6 2
18 1 1 . . . . . . . . . 14 . HN parsed_2mg6 2
18 1 2 . . . . . . . . . 14 . HB2 parsed_2mg6 2
19 1 1 . . . . . . . . . 15 . HN parsed_2mg6 2
19 1 2 . . . . . . . . . 15 . HD1* parsed_2mg6 2
20 1 1 . . . . . . . . . 15 . HN parsed_2mg6 2
20 1 2 . . . . . . . . . 15 . HG11 parsed_2mg6 2
21 1 1 . . . . . . . . . 15 . HN parsed_2mg6 2
21 1 2 . . . . . . . . . 15 . HG12 parsed_2mg6 2
22 1 1 . . . . . . . . . 15 . HA parsed_2mg6 2
22 1 2 . . . . . . . . . 15 . HG2* parsed_2mg6 2
23 1 1 . . . . . . . . . 15 . HG2* parsed_2mg6 2
23 1 2 . . . . . . . . . 15 . HG11 parsed_2mg6 2
24 1 1 . . . . . . . . . 15 . HG2* parsed_2mg6 2
24 1 2 . . . . . . . . . 15 . HD1* parsed_2mg6 2
25 1 1 . . . . . . . . . 15 . HG2* parsed_2mg6 2
25 1 2 . . . . . . . . . 15 . HG12 parsed_2mg6 2
26 1 1 . . . . . . . . . 15 . HA parsed_2mg6 2
26 1 2 . . . . . . . . . 15 . HD1* parsed_2mg6 2
27 1 1 . . . . . . . . . 14 . HA parsed_2mg6 2
27 1 2 . . . . . . . . . 14 . HG2 parsed_2mg6 2
28 1 1 . . . . . . . . . 14 . HA parsed_2mg6 2
28 1 2 . . . . . . . . . 14 . HG1 parsed_2mg6 2
29 1 1 . . . . . . . . . 7 . HA parsed_2mg6 2
29 1 2 . . . . . . . . . 7 . HE parsed_2mg6 2
30 1 1 . . . . . . . . . 12 . HB1 parsed_2mg6 2
30 1 2 . . . . . . . . . 12 . HD2 parsed_2mg6 2
31 1 1 . . . . . . . . . 12 . HB2 parsed_2mg6 2
31 1 2 . . . . . . . . . 12 . HD2 parsed_2mg6 2
32 1 1 . . . . . . . . . 6 . HA parsed_2mg6 2
32 1 2 . . . . . . . . . 9 . HN parsed_2mg6 2
33 1 1 . . . . . . . . . 5 . HA parsed_2mg6 2
33 1 2 . . . . . . . . . 7 . HN parsed_2mg6 2
34 1 1 . . . . . . . . . 9 . HA parsed_2mg6 2
34 1 2 . . . . . . . . . 12 . HN parsed_2mg6 2
35 1 1 . . . . . . . . . 6 . HA parsed_2mg6 2
35 1 2 . . . . . . . . . 8 . HN parsed_2mg6 2
36 1 1 . . . . . . . . . 7 . HA parsed_2mg6 2
36 1 2 . . . . . . . . . 8 . HN parsed_2mg6 2
37 1 1 . . . . . . . . . 4 . HA parsed_2mg6 2
37 1 2 . . . . . . . . . 5 . HN parsed_2mg6 2
38 1 1 . . . . . . . . . 12 . HA parsed_2mg6 2
38 1 2 . . . . . . . . . 12 . HD2 parsed_2mg6 2
39 1 1 . . . . . . . . . 8 . HA parsed_2mg6 2
39 1 2 . . . . . . . . . 12 . HD2 parsed_2mg6 2
40 1 1 . . . . . . . . . 10 . HA parsed_2mg6 2
40 1 2 . . . . . . . . . 10 . HD* parsed_2mg6 2
41 1 1 . . . . . . . . . 7 . HB2 parsed_2mg6 2
41 1 2 . . . . . . . . . 8 . HN parsed_2mg6 2
42 1 1 . . . . . . . . . 7 . HB1 parsed_2mg6 2
42 1 2 . . . . . . . . . 8 . HN parsed_2mg6 2
43 1 1 . . . . . . . . . 14 . HB1 parsed_2mg6 2
43 1 2 . . . . . . . . . 15 . HN parsed_2mg6 2
44 1 1 . . . . . . . . . 15 . HB parsed_2mg6 2
44 1 2 . . . . . . . . . 16 . HN parsed_2mg6 2
45 1 1 . . . . . . . . . 11 . HB2 parsed_2mg6 2
45 1 2 . . . . . . . . . 12 . HN parsed_2mg6 2
46 1 1 . . . . . . . . . 11 . HB1 parsed_2mg6 2
46 1 2 . . . . . . . . . 12 . HN parsed_2mg6 2
47 1 1 . . . . . . . . . 11 . HB2 parsed_2mg6 2
47 1 2 . . . . . . . . . 12 . HD2 parsed_2mg6 2
48 1 1 . . . . . . . . . 11 . HB1 parsed_2mg6 2
48 1 2 . . . . . . . . . 12 . HD2 parsed_2mg6 2
49 1 1 . . . . . . . . . 5 . HB2 parsed_2mg6 2
49 1 2 . . . . . . . . . 8 . HN parsed_2mg6 2
50 1 1 . . . . . . . . . 5 . HB2 parsed_2mg6 2
50 1 2 . . . . . . . . . 7 . HN parsed_2mg6 2
51 1 1 . . . . . . . . . 12 . HN parsed_2mg6 2
51 1 2 . . . . . . . . . 13 . HD2 parsed_2mg6 2
52 1 1 . . . . . . . . . 12 . HN parsed_2mg6 2
52 1 2 . . . . . . . . . 13 . HD1 parsed_2mg6 2
53 1 1 . . . . . . . . . 13 . HD2 parsed_2mg6 2
53 1 2 . . . . . . . . . 14 . HN parsed_2mg6 2
54 1 1 . . . . . . . . . 14 . HN parsed_2mg6 2
54 1 2 . . . . . . . . . 15 . HN parsed_2mg6 2
55 1 1 . . . . . . . . . 8 . HN parsed_2mg6 2
55 1 2 . . . . . . . . . 9 . HN parsed_2mg6 2
56 1 1 . . . . . . . . . 9 . HN parsed_2mg6 2
56 1 2 . . . . . . . . . 10 . HN parsed_2mg6 2
57 1 1 . . . . . . . . . 3 . HN parsed_2mg6 2
57 1 2 . . . . . . . . . 4 . HN parsed_2mg6 2
58 1 1 . . . . . . . . . 7 . HN parsed_2mg6 2
58 1 2 . . . . . . . . . 8 . HN parsed_2mg6 2
59 1 1 . . . . . . . . . 4 . HN parsed_2mg6 2
59 1 2 . . . . . . . . . 5 . HN parsed_2mg6 2
60 1 1 . . . . . . . . . 15 . HG2* parsed_2mg6 2
60 1 2 . . . . . . . . . 16 . HN parsed_2mg6 2
61 1 1 . . . . . . . . . 5 . HB1 parsed_2mg6 2
61 1 2 . . . . . . . . . 8 . HN parsed_2mg6 2
62 1 1 . . . . . . . . . 15 . HG11 parsed_2mg6 2
62 1 2 . . . . . . . . . 16 . HN parsed_2mg6 2
63 1 1 . . . . . . . . . 15 . HG12 parsed_2mg6 2
63 1 2 . . . . . . . . . 16 . HN parsed_2mg6 2
64 1 1 . . . . . . . . . 15 . HD1* parsed_2mg6 2
64 1 2 . . . . . . . . . 16 . HN parsed_2mg6 2
65 1 1 . . . . . . . . . 13 . HD1 parsed_2mg6 2
65 1 2 . . . . . . . . . 14 . HN parsed_2mg6 2
66 1 1 . . . . . . . . . 12 . HB1 parsed_2mg6 2
66 1 2 . . . . . . . . . 14 . HN parsed_2mg6 2
67 1 1 . . . . . . . . . 12 . HA parsed_2mg6 2
67 1 2 . . . . . . . . . 14 . HN parsed_2mg6 2
68 1 1 . . . . . . . . . 12 . HA parsed_2mg6 2
68 1 2 . . . . . . . . . 13 . HD2 parsed_2mg6 2
69 1 1 . . . . . . . . . 12 . HA parsed_2mg6 2
69 1 2 . . . . . . . . . 13 . HD1 parsed_2mg6 2
70 1 1 . . . . . . . . . 12 . HB1 parsed_2mg6 2
70 1 2 . . . . . . . . . 15 . HG2* parsed_2mg6 2
71 1 1 . . . . . . . . . 12 . HB1 parsed_2mg6 2
71 1 2 . . . . . . . . . 15 . HD1* parsed_2mg6 2
72 1 1 . . . . . . . . . 12 . HB2 parsed_2mg6 2
72 1 2 . . . . . . . . . 15 . HD1* parsed_2mg6 2
73 1 1 . . . . . . . . . 12 . HB2 parsed_2mg6 2
73 1 2 . . . . . . . . . 15 . HG2* parsed_2mg6 2
74 1 1 . . . . . . . . . 15 . HN parsed_2mg6 2
74 1 2 . . . . . . . . . 16 . HN parsed_2mg6 2
75 1 1 . . . . . . . . . 11 . HN parsed_2mg6 2
75 1 2 . . . . . . . . . 12 . HN parsed_2mg6 2
76 1 1 . . . . . . . . . 10 . HN parsed_2mg6 2
76 1 2 . . . . . . . . . 10 . HD* parsed_2mg6 2
77 1 1 . . . . . . . . . 10 . HD* parsed_2mg6 2
77 1 2 . . . . . . . . . 11 . HN parsed_2mg6 2
78 1 1 . . . . . . . . . 2 . HA parsed_2mg6 2
78 1 2 . . . . . . . . . 5 . HB2 parsed_2mg6 2
79 1 1 . . . . . . . . . 3 . HN parsed_2mg6 2
79 1 2 . . . . . . . . . 5 . HN parsed_2mg6 2
80 1 1 . . . . . . . . . 7 . HA parsed_2mg6 2
80 1 2 . . . . . . . . . 9 . HN parsed_2mg6 2
81 1 1 . . . . . . . . . 7 . HN parsed_2mg6 2
81 1 2 . . . . . . . . . 7 . HE parsed_2mg6 2
82 1 1 . . . . . . . . . 12 . HB1 parsed_2mg6 2
82 1 2 . . . . . . . . . 15 . HN parsed_2mg6 2
83 1 1 . . . . . . . . . 14 . HB2 parsed_2mg6 2
83 1 2 . . . . . . . . . 15 . HN parsed_2mg6 2
84 1 1 . . . . . . . . . 12 . HN parsed_2mg6 2
84 1 2 . . . . . . . . . 12 . HD2 parsed_2mg6 2
85 1 1 . . . . . . . . . 7 . HA parsed_2mg6 2
85 1 2 . . . . . . . . . 10 . HN parsed_2mg6 2
86 1 1 . . . . . . . . . 3 . HA parsed_2mg6 2
86 1 2 . . . . . . . . . 5 . HN parsed_2mg6 2
87 1 1 . . . . . . . . . 15 . HB parsed_2mg6 2
87 1 2 . . . . . . . . . 15 . HD1* parsed_2mg6 2
88 1 1 . . . . . . . . . 9 . HA parsed_2mg6 2
88 1 2 . . . . . . . . . 9 . HD22 parsed_2mg6 2
89 1 1 . . . . . . . . . 9 . HA parsed_2mg6 2
89 1 2 . . . . . . . . . 9 . HD21 parsed_2mg6 2
90 1 1 . . . . . . . . . 8 . HA parsed_2mg6 2
90 1 2 . . . . . . . . . 10 . HN parsed_2mg6 2
91 1 1 . . . . . . . . . 12 . HB2 parsed_2mg6 2
91 1 2 . . . . . . . . . 15 . HG11 parsed_2mg6 2
92 1 1 . . . . . . . . . 12 . HB2 parsed_2mg6 2
92 1 2 . . . . . . . . . 15 . HG12 parsed_2mg6 2
93 1 1 . . . . . . . . . 12 . HB2 parsed_2mg6 2
93 1 2 . . . . . . . . . 15 . HB parsed_2mg6 2
94 1 1 . . . . . . . . . 5 . HB1 parsed_2mg6 2
94 1 2 . . . . . . . . . 7 . HN parsed_2mg6 2
95 1 1 . . . . . . . . . 8 . HA parsed_2mg6 2
95 1 2 . . . . . . . . . 11 . HN parsed_2mg6 2
96 1 1 . . . . . . . . . 8 . HA parsed_2mg6 2
96 1 2 . . . . . . . . . 11 . HB1 parsed_2mg6 2
97 1 1 . . . . . . . . . 8 . HA parsed_2mg6 2
97 1 2 . . . . . . . . . 11 . HB2 parsed_2mg6 2
98 1 1 . . . . . . . . . 9 . HA parsed_2mg6 2
98 1 2 . . . . . . . . . 12 . HB2 parsed_2mg6 2
99 1 1 . . . . . . . . . 7 . HA parsed_2mg6 2
99 1 2 . . . . . . . . . 11 . HN parsed_2mg6 2
100 1 1 . . . . . . . . . 9 . HA parsed_2mg6 2
100 1 2 . . . . . . . . . 11 . HN parsed_2mg6 2
101 1 1 . . . . . . . . . 10 . HN parsed_2mg6 2
101 1 2 . . . . . . . . . 12 . HN parsed_2mg6 2
102 1 1 . . . . . . . . . 12 . HD2 parsed_2mg6 2
102 1 2 . . . . . . . . . 15 . HD1* parsed_2mg6 2
103 1 1 . . . . . . . . . 1 . HA* parsed_2mg6 2
103 1 2 . . . . . . . . . 3 . HN parsed_2mg6 2
104 1 1 . . . . . . . . . 2 . HA parsed_2mg6 2
104 1 2 . . . . . . . . . 8 . HB* parsed_2mg6 2
105 1 1 . . . . . . . . . 2 . HB1 parsed_2mg6 2
105 1 2 . . . . . . . . . 8 . HB* parsed_2mg6 2
106 1 1 . . . . . . . . . 3 . HN parsed_2mg6 2
106 1 2 . . . . . . . . . 3 . HB* parsed_2mg6 2
107 1 1 . . . . . . . . . 3 . HA parsed_2mg6 2
107 1 2 . . . . . . . . . 3 . HB* parsed_2mg6 2
108 1 1 . . . . . . . . . 3 . HA parsed_2mg6 2
108 1 2 . . . . . . . . . 9 . HB* parsed_2mg6 2
109 1 1 . . . . . . . . . 3 . HB* parsed_2mg6 2
109 1 2 . . . . . . . . . 4 . HN parsed_2mg6 2
110 1 1 . . . . . . . . . 3 . HB* parsed_2mg6 2
110 1 2 . . . . . . . . . 5 . HN parsed_2mg6 2
111 1 1 . . . . . . . . . 5 . HN parsed_2mg6 2
111 1 2 . . . . . . . . . 6 . HD* parsed_2mg6 2
112 1 1 . . . . . . . . . 5 . HA parsed_2mg6 2
112 1 2 . . . . . . . . . 6 . HD* parsed_2mg6 2
113 1 1 . . . . . . . . . 5 . HB2 parsed_2mg6 2
113 1 2 . . . . . . . . . 6 . HD* parsed_2mg6 2
114 1 1 . . . . . . . . . 5 . HB2 parsed_2mg6 2
114 1 2 . . . . . . . . . 8 . HB* parsed_2mg6 2
115 1 1 . . . . . . . . . 5 . HB1 parsed_2mg6 2
115 1 2 . . . . . . . . . 6 . HD* parsed_2mg6 2
116 1 1 . . . . . . . . . 5 . HB1 parsed_2mg6 2
116 1 2 . . . . . . . . . 8 . HB* parsed_2mg6 2
117 1 1 . . . . . . . . . 6 . HA parsed_2mg6 2
117 1 2 . . . . . . . . . 9 . HB* parsed_2mg6 2
118 1 1 . . . . . . . . . 6 . HB* parsed_2mg6 2
118 1 2 . . . . . . . . . 7 . HN parsed_2mg6 2
119 1 1 . . . . . . . . . 6 . HD* parsed_2mg6 2
119 1 2 . . . . . . . . . 7 . HN parsed_2mg6 2
120 1 1 . . . . . . . . . 6 . HD* parsed_2mg6 2
120 1 2 . . . . . . . . . 7 . HG* parsed_2mg6 2
121 1 1 . . . . . . . . . 6 . HD* parsed_2mg6 2
121 1 2 . . . . . . . . . 8 . HN parsed_2mg6 2
122 1 1 . . . . . . . . . 7 . HN parsed_2mg6 2
122 1 2 . . . . . . . . . 7 . HB* parsed_2mg6 2
123 1 1 . . . . . . . . . 7 . HN parsed_2mg6 2
123 1 2 . . . . . . . . . 7 . HG* parsed_2mg6 2
124 1 1 . . . . . . . . . 7 . HN parsed_2mg6 2
124 1 2 . . . . . . . . . 8 . HB* parsed_2mg6 2
125 1 1 . . . . . . . . . 7 . HA parsed_2mg6 2
125 1 2 . . . . . . . . . 7 . HG* parsed_2mg6 2
126 1 1 . . . . . . . . . 7 . HA parsed_2mg6 2
126 1 2 . . . . . . . . . 7 . HD* parsed_2mg6 2
127 1 1 . . . . . . . . . 7 . HA parsed_2mg6 2
127 1 2 . . . . . . . . . 10 . HB* parsed_2mg6 2
128 1 1 . . . . . . . . . 7 . HB* parsed_2mg6 2
128 1 2 . . . . . . . . . 7 . HE parsed_2mg6 2
129 1 1 . . . . . . . . . 7 . HB* parsed_2mg6 2
129 1 2 . . . . . . . . . 8 . HN parsed_2mg6 2
130 1 1 . . . . . . . . . 7 . HG* parsed_2mg6 2
130 1 2 . . . . . . . . . 7 . HE parsed_2mg6 2
131 1 1 . . . . . . . . . 7 . HG* parsed_2mg6 2
131 1 2 . . . . . . . . . 8 . HN parsed_2mg6 2
132 1 1 . . . . . . . . . 8 . HN parsed_2mg6 2
132 1 2 . . . . . . . . . 8 . HB* parsed_2mg6 2
133 1 1 . . . . . . . . . 8 . HN parsed_2mg6 2
133 1 2 . . . . . . . . . 9 . HB* parsed_2mg6 2
134 1 1 . . . . . . . . . 8 . HA parsed_2mg6 2
134 1 2 . . . . . . . . . 10 . HB* parsed_2mg6 2
135 1 1 . . . . . . . . . 8 . HB* parsed_2mg6 2
135 1 2 . . . . . . . . . 9 . HN parsed_2mg6 2
136 1 1 . . . . . . . . . 8 . HB* parsed_2mg6 2
136 1 2 . . . . . . . . . 9 . HA parsed_2mg6 2
137 1 1 . . . . . . . . . 8 . HB* parsed_2mg6 2
137 1 2 . . . . . . . . . 10 . HN parsed_2mg6 2
138 1 1 . . . . . . . . . 9 . HN parsed_2mg6 2
138 1 2 . . . . . . . . . 9 . HB* parsed_2mg6 2
139 1 1 . . . . . . . . . 9 . HA parsed_2mg6 2
139 1 2 . . . . . . . . . 9 . HD2* parsed_2mg6 2
140 1 1 . . . . . . . . . 9 . HA parsed_2mg6 2
140 1 2 . . . . . . . . . 10 . HB* parsed_2mg6 2
141 1 1 . . . . . . . . . 9 . HB* parsed_2mg6 2
141 1 2 . . . . . . . . . 10 . HN parsed_2mg6 2
142 1 1 . . . . . . . . . 9 . HB* parsed_2mg6 2
142 1 2 . . . . . . . . . 11 . HN parsed_2mg6 2
143 1 1 . . . . . . . . . 10 . HN parsed_2mg6 2
143 1 2 . . . . . . . . . 10 . HB* parsed_2mg6 2
144 1 1 . . . . . . . . . 10 . HA parsed_2mg6 2
144 1 2 . . . . . . . . . 10 . HB* parsed_2mg6 2
145 1 1 . . . . . . . . . 10 . HB* parsed_2mg6 2
145 1 2 . . . . . . . . . 11 . HN parsed_2mg6 2
146 1 1 . . . . . . . . . 10 . HB* parsed_2mg6 2
146 1 2 . . . . . . . . . 12 . HN parsed_2mg6 2
147 1 1 . . . . . . . . . 11 . HN parsed_2mg6 2
147 1 2 . . . . . . . . . 11 . HB* parsed_2mg6 2
148 1 1 . . . . . . . . . 11 . HB* parsed_2mg6 2
148 1 2 . . . . . . . . . 12 . HN parsed_2mg6 2
149 1 1 . . . . . . . . . 11 . HB* parsed_2mg6 2
149 1 2 . . . . . . . . . 12 . HD2 parsed_2mg6 2
150 1 1 . . . . . . . . . 12 . HN parsed_2mg6 2
150 1 2 . . . . . . . . . 13 . HD* parsed_2mg6 2
151 1 1 . . . . . . . . . 12 . HA parsed_2mg6 2
151 1 2 . . . . . . . . . 13 . HG* parsed_2mg6 2
152 1 1 . . . . . . . . . 12 . HA parsed_2mg6 2
152 1 2 . . . . . . . . . 13 . HD* parsed_2mg6 2
153 1 1 . . . . . . . . . 12 . HB1 parsed_2mg6 2
153 1 2 . . . . . . . . . 13 . HD* parsed_2mg6 2
154 1 1 . . . . . . . . . 12 . HB1 parsed_2mg6 2
154 1 2 . . . . . . . . . 15 . HG1* parsed_2mg6 2
155 1 1 . . . . . . . . . 13 . HD* parsed_2mg6 2
155 1 2 . . . . . . . . . 14 . HN parsed_2mg6 2
156 1 1 . . . . . . . . . 14 . HN parsed_2mg6 2
156 1 2 . . . . . . . . . 14 . HB* parsed_2mg6 2
157 1 1 . . . . . . . . . 14 . HA parsed_2mg6 2
157 1 2 . . . . . . . . . 14 . HG* parsed_2mg6 2
158 1 1 . . . . . . . . . 14 . HB* parsed_2mg6 2
158 1 2 . . . . . . . . . 14 . HG* parsed_2mg6 2
159 1 1 . . . . . . . . . 14 . HB* parsed_2mg6 2
159 1 2 . . . . . . . . . 15 . HN parsed_2mg6 2
160 1 1 . . . . . . . . . 14 . HG* parsed_2mg6 2
160 1 2 . . . . . . . . . 15 . HN parsed_2mg6 2
161 1 1 . . . . . . . . . 16 . HN parsed_2mg6 2
161 1 2 . . . . . . . . . 16 . HB* parsed_2mg6 2
162 1 1 . . . . . . . . . 16 . HN parsed_2mg6 2
162 1 2 . . . . . . . . . 16 . H1 parsed_2mg6 2
163 1 1 . . . . . . . . . 16 . HN parsed_2mg6 2
163 1 2 . . . . . . . . . 16 . H2 parsed_2mg6 2
164 1 1 . . . . . . . . . 16 . HB1 parsed_2mg6 2
164 1 2 . . . . . . . . . 16 . H1 parsed_2mg6 2
165 1 1 . . . . . . . . . 16 . HB1 parsed_2mg6 2
165 1 2 . . . . . . . . . 16 . H2 parsed_2mg6 2
166 1 1 . . . . . . . . . 16 . HB2 parsed_2mg6 2
166 1 2 . . . . . . . . . 16 . H1 parsed_2mg6 2
167 1 1 . . . . . . . . . 16 . HB2 parsed_2mg6 2
167 1 2 . . . . . . . . . 16 . H2 parsed_2mg6 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 . . . . . 3.49 1.80 3.49 parsed_2mg6 2
2 1 . . . . . 3.49 1.80 3.49 parsed_2mg6 2
3 1 . . . . . 3.03 1.80 3.03 parsed_2mg6 2
4 1 . . . . . 4.18 1.80 4.18 parsed_2mg6 2
5 1 . . . . . 4.18 1.80 4.18 parsed_2mg6 2
6 1 . . . . . 3.77 1.80 3.77 parsed_2mg6 2
7 1 . . . . . 3.35 1.80 3.35 parsed_2mg6 2
8 1 . . . . . 3.35 1.80 3.35 parsed_2mg6 2
9 1 . . . . . 3.37 1.80 3.37 parsed_2mg6 2
10 1 . . . . . 3.39 1.80 3.39 parsed_2mg6 2
11 1 . . . . . 3.18 1.80 3.18 parsed_2mg6 2
12 1 . . . . . 3.76 1.80 3.76 parsed_2mg6 2
13 1 . . . . . 3.38 1.80 3.38 parsed_2mg6 2
14 1 . . . . . 3.99 1.80 3.99 parsed_2mg6 2
15 1 . . . . . 4.61 1.80 4.61 parsed_2mg6 2
16 1 . . . . . 4.61 1.80 4.61 parsed_2mg6 2
17 1 . . . . . 3.68 1.80 3.68 parsed_2mg6 2
18 1 . . . . . 3.68 1.80 3.68 parsed_2mg6 2
19 1 . . . . . 4.56 1.80 4.56 parsed_2mg6 2
20 1 . . . . . 3.62 1.80 3.62 parsed_2mg6 2
21 1 . . . . . 3.62 1.80 3.62 parsed_2mg6 2
22 1 . . . . . 3.06 1.80 3.06 parsed_2mg6 2
23 1 . . . . . 3.81 1.80 3.81 parsed_2mg6 2
24 1 . . . . . 2.8 1.8 2.8 parsed_2mg6 2
25 1 . . . . . 3.81 1.80 3.81 parsed_2mg6 2
26 1 . . . . . 3.62 1.80 3.62 parsed_2mg6 2
27 1 . . . . . 3.63 1.80 3.63 parsed_2mg6 2
28 1 . . . . . 3.63 1.80 3.63 parsed_2mg6 2
29 1 . . . . . 4.08 1.80 4.08 parsed_2mg6 2
30 1 . . . . . 3.79 1.80 3.79 parsed_2mg6 2
31 1 . . . . . 3.5 1.8 3.5 parsed_2mg6 2
32 1 . . . . . 4.2 1.8 4.2 parsed_2mg6 2
33 1 . . . . . 4.26 1.80 4.26 parsed_2mg6 2
34 1 . . . . . 4.37 1.80 4.37 parsed_2mg6 2
35 1 . . . . . 4.02 1.80 4.02 parsed_2mg6 2
36 1 . . . . . 3.32 1.80 3.32 parsed_2mg6 2
37 1 . . . . . 3.58 1.80 3.58 parsed_2mg6 2
38 1 . . . . . 4.01 1.80 4.01 parsed_2mg6 2
39 1 . . . . . 4.09 1.80 4.09 parsed_2mg6 2
40 1 . . . . . 3.24 1.80 3.24 parsed_2mg6 2
41 1 . . . . . 3.78 1.80 3.78 parsed_2mg6 2
42 1 . . . . . 3.78 1.80 3.78 parsed_2mg6 2
43 1 . . . . . 3.98 1.80 3.98 parsed_2mg6 2
44 1 . . . . . 3.5 1.8 3.5 parsed_2mg6 2
45 1 . . . . . 3.98 1.80 3.98 parsed_2mg6 2
46 1 . . . . . 3.98 1.80 3.98 parsed_2mg6 2
47 1 . . . . . 4.02 1.80 4.02 parsed_2mg6 2
48 1 . . . . . 4.02 1.80 4.02 parsed_2mg6 2
49 1 . . . . . 3.55 1.80 3.55 parsed_2mg6 2
50 1 . . . . . 4.29 1.80 4.29 parsed_2mg6 2
51 1 . . . . . 3.94 1.80 3.94 parsed_2mg6 2
52 1 . . . . . 3.94 1.80 3.94 parsed_2mg6 2
53 1 . . . . . 4.88 1.80 4.88 parsed_2mg6 2
54 1 . . . . . 3.76 1.80 3.76 parsed_2mg6 2
55 1 . . . . . 3.03 1.80 3.03 parsed_2mg6 2
56 1 . . . . . 3.28 1.80 3.28 parsed_2mg6 2
57 1 . . . . . 3.23 1.80 3.23 parsed_2mg6 2
58 1 . . . . . 2.91 1.80 2.91 parsed_2mg6 2
59 1 . . . . . 3.2 1.8 3.2 parsed_2mg6 2
60 1 . . . . . 3.59 1.80 3.59 parsed_2mg6 2
61 1 . . . . . 4.33 1.80 4.33 parsed_2mg6 2
62 1 . . . . . 4.67 1.80 4.67 parsed_2mg6 2
63 1 . . . . . 4.67 1.80 4.67 parsed_2mg6 2
64 1 . . . . . 4.58 1.80 4.58 parsed_2mg6 2
65 1 . . . . . 4.88 1.80 4.88 parsed_2mg6 2
66 1 . . . . . 4.88 1.80 4.88 parsed_2mg6 2
67 1 . . . . . 4.76 1.80 4.76 parsed_2mg6 2
68 1 . . . . . 3.05 1.80 3.05 parsed_2mg6 2
69 1 . . . . . 3.05 1.80 3.05 parsed_2mg6 2
70 1 . . . . . 4.27 1.80 4.27 parsed_2mg6 2
71 1 . . . . . 3.91 1.80 3.91 parsed_2mg6 2
72 1 . . . . . 4.06 1.80 4.06 parsed_2mg6 2
73 1 . . . . . 4.26 1.80 4.26 parsed_2mg6 2
74 1 . . . . . 3.1 1.8 3.1 parsed_2mg6 2
75 1 . . . . . 2.88 1.80 2.88 parsed_2mg6 2
76 1 . . . . . 3.51 1.80 3.51 parsed_2mg6 2
77 1 . . . . . 3.94 1.80 3.94 parsed_2mg6 2
78 1 . . . . . 4.84 1.80 4.84 parsed_2mg6 2
79 1 . . . . . 4.51 1.80 4.51 parsed_2mg6 2
80 1 . . . . . 4.5 1.8 4.5 parsed_2mg6 2
81 1 . . . . . 4.6 1.8 4.6 parsed_2mg6 2
82 1 . . . . . 4.58 1.80 4.58 parsed_2mg6 2
83 1 . . . . . 3.98 1.80 3.98 parsed_2mg6 2
84 1 . . . . . 4.45 1.80 4.45 parsed_2mg6 2
85 1 . . . . . 4.57 1.80 4.57 parsed_2mg6 2
86 1 . . . . . 4.51 1.80 4.51 parsed_2mg6 2
87 1 . . . . . 3.5 1.8 3.5 parsed_2mg6 2
88 1 . . . . . 4.65 1.80 4.65 parsed_2mg6 2
89 1 . . . . . 4.65 1.80 4.65 parsed_2mg6 2
90 1 . . . . . 4.63 1.80 4.63 parsed_2mg6 2
91 1 . . . . . 5.5 1.8 5.5 parsed_2mg6 2
92 1 . . . . . 5.5 1.8 5.5 parsed_2mg6 2
93 1 . . . . . 5.17 1.80 5.17 parsed_2mg6 2
94 1 . . . . . 4.81 1.80 4.81 parsed_2mg6 2
95 1 . . . . . 4.24 1.80 4.24 parsed_2mg6 2
96 1 . . . . . 4.35 1.80 4.35 parsed_2mg6 2
97 1 . . . . . 4.35 1.80 4.35 parsed_2mg6 2
98 1 . . . . . 5.04 1.80 5.04 parsed_2mg6 2
99 1 . . . . . 4.73 1.80 4.73 parsed_2mg6 2
100 1 . . . . . 4.24 1.80 4.24 parsed_2mg6 2
101 1 . . . . . 3.56 1.80 3.56 parsed_2mg6 2
102 1 . . . . . 4.42 1.80 4.42 parsed_2mg6 2
103 1 . . . . . 5.2 1.8 5.2 parsed_2mg6 2
104 1 . . . . . 4.86 1.80 4.86 parsed_2mg6 2
105 1 . . . . . 3.68 1.80 3.68 parsed_2mg6 2
106 1 . . . . . 3.49 1.80 3.49 parsed_2mg6 2
107 1 . . . . . 2.81 1.80 2.81 parsed_2mg6 2
108 1 . . . . . 5.39 1.80 5.39 parsed_2mg6 2
109 1 . . . . . 4.51 1.80 4.51 parsed_2mg6 2
110 1 . . . . . 5.81 1.80 5.81 parsed_2mg6 2
111 1 . . . . . 4.71 1.80 4.71 parsed_2mg6 2
112 1 . . . . . 3.24 1.80 3.24 parsed_2mg6 2
113 1 . . . . . 5.23 1.80 5.23 parsed_2mg6 2
114 1 . . . . . 5.19 1.80 5.19 parsed_2mg6 2
115 1 . . . . . 5.77 1.80 5.77 parsed_2mg6 2
116 1 . . . . . 6.28 1.80 6.28 parsed_2mg6 2
117 1 . . . . . 5.15 1.80 5.15 parsed_2mg6 2
118 1 . . . . . 4.14 1.80 4.14 parsed_2mg6 2
119 1 . . . . . 4.29 1.80 4.29 parsed_2mg6 2
120 1 . . . . . 6.43 1.80 6.43 parsed_2mg6 2
121 1 . . . . . 5.5 1.8 5.5 parsed_2mg6 2
122 1 . . . . . 3.18 1.80 3.18 parsed_2mg6 2
123 1 . . . . . 4.01 1.80 4.01 parsed_2mg6 2
124 1 . . . . . 5.44 1.80 5.44 parsed_2mg6 2
125 1 . . . . . 3.66 1.80 3.66 parsed_2mg6 2
126 1 . . . . . 5.1 1.8 5.1 parsed_2mg6 2
127 1 . . . . . 5.1 1.8 5.1 parsed_2mg6 2
128 1 . . . . . 3.84 1.80 3.84 parsed_2mg6 2
129 1 . . . . . 3.62 1.80 3.62 parsed_2mg6 2
130 1 . . . . . 3.94 1.80 3.94 parsed_2mg6 2
131 1 . . . . . 4.97 1.80 4.97 parsed_2mg6 2
132 1 . . . . . 3.46 1.80 3.46 parsed_2mg6 2
133 1 . . . . . 5.63 1.80 5.63 parsed_2mg6 2
134 1 . . . . . 4.86 1.80 4.86 parsed_2mg6 2
135 1 . . . . . 4.31 1.80 4.31 parsed_2mg6 2
136 1 . . . . . 5.7 1.8 5.7 parsed_2mg6 2
137 1 . . . . . 5.83 1.80 5.83 parsed_2mg6 2
138 1 . . . . . 3.54 1.80 3.54 parsed_2mg6 2
139 1 . . . . . 4.43 1.80 4.43 parsed_2mg6 2
140 1 . . . . . 5.28 1.80 5.28 parsed_2mg6 2
141 1 . . . . . 4.52 1.80 4.52 parsed_2mg6 2
142 1 . . . . . 5.76 1.80 5.76 parsed_2mg6 2
143 1 . . . . . 3.44 1.80 3.44 parsed_2mg6 2
144 1 . . . . . 2.75 1.80 2.75 parsed_2mg6 2
145 1 . . . . . 4.02 1.80 4.02 parsed_2mg6 2
146 1 . . . . . 4.95 1.80 4.95 parsed_2mg6 2
147 1 . . . . . 3.1 1.8 3.1 parsed_2mg6 2
148 1 . . . . . 3.81 1.80 3.81 parsed_2mg6 2
149 1 . . . . . 3.71 1.80 3.71 parsed_2mg6 2
150 1 . . . . . 3.68 1.80 3.68 parsed_2mg6 2
151 1 . . . . . 5.05 1.80 5.05 parsed_2mg6 2
152 1 . . . . . 2.83 1.80 2.83 parsed_2mg6 2
153 1 . . . . . 4.79 1.80 4.79 parsed_2mg6 2
154 1 . . . . . 5.44 1.80 5.44 parsed_2mg6 2
155 1 . . . . . 4.41 1.80 4.41 parsed_2mg6 2
156 1 . . . . . 3.47 1.80 3.47 parsed_2mg6 2
157 1 . . . . . 3.34 1.80 3.34 parsed_2mg6 2
158 1 . . . . . 2.45 1.80 2.45 parsed_2mg6 2
159 1 . . . . . 3.61 1.80 3.61 parsed_2mg6 2
160 1 . . . . . 5.11 1.80 5.11 parsed_2mg6 2
161 1 . . . . . 3.06 1.80 3.06 parsed_2mg6 2
162 1 . . . . . 3.76 1.80 3.76 parsed_2mg6 2
163 1 . . . . . 4.29 1.80 4.29 parsed_2mg6 2
164 1 . . . . . 3.87 1.80 3.87 parsed_2mg6 2
165 1 . . . . . 3.87 1.80 3.87 parsed_2mg6 2
166 1 . . . . . 3.90 1.80 3.90 parsed_2mg6 2
167 1 . . . . . 4.43 2.80 4.43 parsed_2mg6 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 NOE 1 1 1 5 parsed_2mg6 2
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mg6
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2mg6 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2mg6 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2mg6 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -42.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2mg6 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.9 -5.9 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2mg6 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.2 -59.6 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2mg6 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.8 25.2 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2mg6 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.3 2.7 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2mg6 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.7 -45.5 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2mg6 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.0 -3.8 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2mg6 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.1 -32.5 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2mg6 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.3 1.5 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2mg6 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.9 -44.9 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2mg6 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.4 -19.4 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2mg6 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.5 -45.1 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2mg6 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.1 -4.1 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2mg6 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.2 -58.4 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2mg6 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.2 36.2 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2mg6 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 120 . . 2 . N . 2 . CA . 2 . CB . 2 . CG parsed_2mg6 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 240 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_2mg6 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_2mg6 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 PHI 1 1 1 6 parsed_2mg6 1
2 "PHI and PSI (TALOS+)" 11 1 11 23 parsed_2mg6 1
3 CHI1 46 1 46 7 parsed_2mg6 1
stop_
save_
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