NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
30770 |
1d9j   |
cing | 2-parsed | STAR | entry | full | 182 |
data_1d9j_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1d9j
_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_1d9j 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1d9j
_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 1d9j "Master copy" parsed_1d9j
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1d9j
_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 1d9j.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1d9j 1
1 1d9j.mr . . XPLOR/CNS 2 distance NOE simple 152 parsed_1d9j 1
1 1d9j.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 12 parsed_1d9j 1
1 1d9j.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1d9j 1
1 1d9j.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1d9j 1
1 1d9j.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1d9j 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_1d9j
_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 MEMBRANE PROTEIN 28-OCT-99 1D9J
*TITLE SOLUTION STRUCTURE OF CECROPIN A(1-8)-MAGAININ 2(1-12)
*TITLE 2 HYBRID PEPTIDE
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: CECROPIN A(1-8)-MAGAININ 2(1-12) HYBRID PEPTIDE;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS + HYALOPHORA CECROPIA;
*SOURCE 3 ORGANISM_COMMON: AFRICAN CLAWED FROG + CECROPIA MOTH;
*SOURCE 4 CELLULAR_LOCATION: MEMBRANE
*KEYWDS HELIX-HINGE-HELIX
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR D.OH, Y.KIM
*REVDAT 1 11-NOV-99 1D9J 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1d9j
_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_1d9j 1
2 1 . . . parsed_1d9j 1
3 1 . . . parsed_1d9j 1
4 1 . . . parsed_1d9j 1
5 1 . . . parsed_1d9j 1
6 1 . . . parsed_1d9j 1
7 1 . . . parsed_1d9j 1
8 1 . . . parsed_1d9j 1
9 1 . . . parsed_1d9j 1
10 1 . . . parsed_1d9j 1
11 1 . . . parsed_1d9j 1
12 1 . . . parsed_1d9j 1
13 1 . . . parsed_1d9j 1
14 1 . . . parsed_1d9j 1
15 1 . . . parsed_1d9j 1
16 1 . . . parsed_1d9j 1
17 1 . . . parsed_1d9j 1
18 1 . . . parsed_1d9j 1
19 1 . . . parsed_1d9j 1
20 1 . . . parsed_1d9j 1
21 1 . . . parsed_1d9j 1
22 1 . . . parsed_1d9j 1
23 1 . . . parsed_1d9j 1
24 1 . . . parsed_1d9j 1
25 1 . . . parsed_1d9j 1
26 1 . . . parsed_1d9j 1
27 1 . . . parsed_1d9j 1
28 1 . . . parsed_1d9j 1
29 1 . . . parsed_1d9j 1
30 1 . . . parsed_1d9j 1
31 1 . . . parsed_1d9j 1
32 1 . . . parsed_1d9j 1
33 1 . . . parsed_1d9j 1
34 1 . . . parsed_1d9j 1
35 1 . . . parsed_1d9j 1
36 1 . . . parsed_1d9j 1
37 1 . . . parsed_1d9j 1
38 1 . . . parsed_1d9j 1
39 1 . . . parsed_1d9j 1
40 1 . . . parsed_1d9j 1
41 1 . . . parsed_1d9j 1
42 1 . . . parsed_1d9j 1
43 1 . . . parsed_1d9j 1
44 1 . . . parsed_1d9j 1
45 1 . . . parsed_1d9j 1
46 1 . . . parsed_1d9j 1
47 1 . . . parsed_1d9j 1
48 1 . . . parsed_1d9j 1
49 1 . . . parsed_1d9j 1
50 1 . . . parsed_1d9j 1
51 1 . . . parsed_1d9j 1
52 1 . . . parsed_1d9j 1
53 1 . . . parsed_1d9j 1
54 1 . . . parsed_1d9j 1
55 1 . . . parsed_1d9j 1
56 1 . . . parsed_1d9j 1
57 1 . . . parsed_1d9j 1
58 1 . . . parsed_1d9j 1
59 1 . . . parsed_1d9j 1
60 1 . . . parsed_1d9j 1
61 1 . . . parsed_1d9j 1
62 1 . . . parsed_1d9j 1
63 1 . . . parsed_1d9j 1
64 1 . . . parsed_1d9j 1
65 1 . . . parsed_1d9j 1
66 1 . . . parsed_1d9j 1
67 1 . . . parsed_1d9j 1
68 1 . . . parsed_1d9j 1
69 1 . . . parsed_1d9j 1
70 1 . . . parsed_1d9j 1
71 1 . . . parsed_1d9j 1
72 1 . . . parsed_1d9j 1
73 1 . . . parsed_1d9j 1
74 1 . . . parsed_1d9j 1
75 1 . . . parsed_1d9j 1
76 1 . . . parsed_1d9j 1
77 1 . . . parsed_1d9j 1
78 1 . . . parsed_1d9j 1
79 1 . . . parsed_1d9j 1
80 1 . . . parsed_1d9j 1
81 1 . . . parsed_1d9j 1
82 1 . . . parsed_1d9j 1
83 1 . . . parsed_1d9j 1
84 1 . . . parsed_1d9j 1
85 1 . . . parsed_1d9j 1
86 1 . . . parsed_1d9j 1
87 1 . . . parsed_1d9j 1
88 1 . . . parsed_1d9j 1
89 1 . . . parsed_1d9j 1
90 1 . . . parsed_1d9j 1
91 1 . . . parsed_1d9j 1
92 1 . . . parsed_1d9j 1
93 1 . . . parsed_1d9j 1
94 1 . . . parsed_1d9j 1
95 1 . . . parsed_1d9j 1
96 1 . . . parsed_1d9j 1
97 1 . . . parsed_1d9j 1
98 1 . . . parsed_1d9j 1
99 1 . . . parsed_1d9j 1
100 1 . . . parsed_1d9j 1
101 1 . . . parsed_1d9j 1
102 1 . . . parsed_1d9j 1
103 1 . . . parsed_1d9j 1
104 1 . . . parsed_1d9j 1
105 1 . . . parsed_1d9j 1
106 1 . . . parsed_1d9j 1
107 1 . . . parsed_1d9j 1
108 1 . . . parsed_1d9j 1
109 1 . . . parsed_1d9j 1
110 1 . . . parsed_1d9j 1
111 1 . . . parsed_1d9j 1
112 1 . . . parsed_1d9j 1
113 1 . . . parsed_1d9j 1
114 1 . . . parsed_1d9j 1
115 1 . . . parsed_1d9j 1
116 1 . . . parsed_1d9j 1
117 1 . . . parsed_1d9j 1
118 1 . . . parsed_1d9j 1
119 1 . . . parsed_1d9j 1
120 1 . . . parsed_1d9j 1
121 1 . . . parsed_1d9j 1
122 1 . . . parsed_1d9j 1
123 1 . . . parsed_1d9j 1
124 1 . . . parsed_1d9j 1
125 1 . . . parsed_1d9j 1
126 1 . . . parsed_1d9j 1
127 1 . . . parsed_1d9j 1
128 1 . . . parsed_1d9j 1
129 1 . . . parsed_1d9j 1
130 1 . . . parsed_1d9j 1
131 1 . . . parsed_1d9j 1
132 1 . . . parsed_1d9j 1
133 1 . . . parsed_1d9j 1
134 1 . . . parsed_1d9j 1
135 1 . . . parsed_1d9j 1
136 1 . . . parsed_1d9j 1
137 1 . . . parsed_1d9j 1
138 1 . . . parsed_1d9j 1
139 1 . . . parsed_1d9j 1
140 1 . . . parsed_1d9j 1
141 1 . . . parsed_1d9j 1
142 1 . . . parsed_1d9j 1
143 1 . . . parsed_1d9j 1
144 1 . . . parsed_1d9j 1
145 1 . . . parsed_1d9j 1
146 1 . . . parsed_1d9j 1
147 1 . . . parsed_1d9j 1
148 1 . . . parsed_1d9j 1
149 1 . . . parsed_1d9j 1
150 1 . . . parsed_1d9j 1
151 1 . . . parsed_1d9j 1
152 1 . . . parsed_1d9j 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 . . . . . . . . . 3 . HN parsed_1d9j 1
1 1 2 . . . . . . . . . 4 . HN parsed_1d9j 1
2 1 1 . . . . . . . . . 4 . HN parsed_1d9j 1
2 1 2 . . . . . . . . . 5 . HN parsed_1d9j 1
3 1 1 . . . . . . . . . 6 . HN parsed_1d9j 1
3 1 2 . . . . . . . . . 5 . HN parsed_1d9j 1
4 1 1 . . . . . . . . . 7 . HN parsed_1d9j 1
4 1 2 . . . . . . . . . 6 . HN parsed_1d9j 1
5 1 1 . . . . . . . . . 7 . HN parsed_1d9j 1
5 1 2 . . . . . . . . . 8 . HN parsed_1d9j 1
6 1 1 . . . . . . . . . 9 . HN parsed_1d9j 1
6 1 2 . . . . . . . . . 8 . HN parsed_1d9j 1
7 1 1 . . . . . . . . . 11 . HN parsed_1d9j 1
7 1 2 . . . . . . . . . 10 . HN parsed_1d9j 1
8 1 1 . . . . . . . . . 11 . HN parsed_1d9j 1
8 1 2 . . . . . . . . . 12 . HN parsed_1d9j 1
9 1 1 . . . . . . . . . 12 . HN parsed_1d9j 1
9 1 2 . . . . . . . . . 13 . HN parsed_1d9j 1
10 1 1 . . . . . . . . . 14 . HN parsed_1d9j 1
10 1 2 . . . . . . . . . 13 . HN parsed_1d9j 1
11 1 1 . . . . . . . . . 15 . HN parsed_1d9j 1
11 1 2 . . . . . . . . . 16 . HN parsed_1d9j 1
12 1 1 . . . . . . . . . 17 . HN parsed_1d9j 1
12 1 2 . . . . . . . . . 16 . HN parsed_1d9j 1
13 1 1 . . . . . . . . . 17 . HN parsed_1d9j 1
13 1 2 . . . . . . . . . 18 . HN parsed_1d9j 1
14 1 1 . . . . . . . . . 18 . HN parsed_1d9j 1
14 1 2 . . . . . . . . . 19 . HN parsed_1d9j 1
15 1 1 . . . . . . . . . 20 . HN parsed_1d9j 1
15 1 2 . . . . . . . . . 19 . HN parsed_1d9j 1
16 1 1 . . . . . . . . . 3 . HN parsed_1d9j 1
16 1 2 . . . . . . . . . 2 . HA parsed_1d9j 1
17 1 1 . . . . . . . . . 4 . HN parsed_1d9j 1
17 1 2 . . . . . . . . . 3 . HA parsed_1d9j 1
18 1 1 . . . . . . . . . 5 . HN parsed_1d9j 1
18 1 2 . . . . . . . . . 4 . HA parsed_1d9j 1
19 1 1 . . . . . . . . . 6 . HN parsed_1d9j 1
19 1 2 . . . . . . . . . 5 . HA parsed_1d9j 1
20 1 1 . . . . . . . . . 7 . HN parsed_1d9j 1
20 1 2 . . . . . . . . . 6 . HA parsed_1d9j 1
21 1 1 . . . . . . . . . 8 . HN parsed_1d9j 1
21 1 2 . . . . . . . . . 7 . HA parsed_1d9j 1
22 1 1 . . . . . . . . . 11 . HN parsed_1d9j 1
22 1 2 . . . . . . . . . 10 . HA parsed_1d9j 1
23 1 1 . . . . . . . . . 12 . HN parsed_1d9j 1
23 1 2 . . . . . . . . . 11 . HA1 parsed_1d9j 1
24 1 1 . . . . . . . . . 12 . HN parsed_1d9j 1
24 1 2 . . . . . . . . . 11 . HA2 parsed_1d9j 1
25 1 1 . . . . . . . . . 13 . HN parsed_1d9j 1
25 1 2 . . . . . . . . . 12 . HA parsed_1d9j 1
26 1 1 . . . . . . . . . 14 . HN parsed_1d9j 1
26 1 2 . . . . . . . . . 13 . HA parsed_1d9j 1
27 1 1 . . . . . . . . . 15 . HN parsed_1d9j 1
27 1 2 . . . . . . . . . 14 . HA parsed_1d9j 1
28 1 1 . . . . . . . . . 16 . HN parsed_1d9j 1
28 1 2 . . . . . . . . . 15 . HA parsed_1d9j 1
29 1 1 . . . . . . . . . 17 . HN parsed_1d9j 1
29 1 2 . . . . . . . . . 16 . HA parsed_1d9j 1
30 1 1 . . . . . . . . . 18 . HN parsed_1d9j 1
30 1 2 . . . . . . . . . 17 . HA parsed_1d9j 1
31 1 1 . . . . . . . . . 19 . HN parsed_1d9j 1
31 1 2 . . . . . . . . . 18 . HA parsed_1d9j 1
32 1 1 . . . . . . . . . 20 . HN parsed_1d9j 1
32 1 2 . . . . . . . . . 19 . HA parsed_1d9j 1
33 1 1 . . . . . . . . . 3 . HN parsed_1d9j 1
33 1 2 . . . . . . . . . 2 . HB# parsed_1d9j 1
34 1 1 . . . . . . . . . 3 . HN parsed_1d9j 1
34 1 2 . . . . . . . . . 2 . HD1 parsed_1d9j 1
35 1 1 . . . . . . . . . 3 . HN parsed_1d9j 1
35 1 2 . . . . . . . . . 2 . HE3 parsed_1d9j 1
36 1 1 . . . . . . . . . 4 . HN parsed_1d9j 1
36 1 2 . . . . . . . . . 3 . HB# parsed_1d9j 1
37 1 1 . . . . . . . . . 5 . HN parsed_1d9j 1
37 1 2 . . . . . . . . . 4 . HB# parsed_1d9j 1
38 1 1 . . . . . . . . . 5 . HN parsed_1d9j 1
38 1 2 . . . . . . . . . 4 . HG parsed_1d9j 1
39 1 1 . . . . . . . . . 5 . HN parsed_1d9j 1
39 1 2 . . . . . . . . . 4 . HD2# parsed_1d9j 1
40 1 1 . . . . . . . . . 5 . HN parsed_1d9j 1
40 1 2 . . . . . . . . . 4 . HD1# parsed_1d9j 1
41 1 1 . . . . . . . . . 5 . HD# parsed_1d9j 1
41 1 2 . . . . . . . . . 4 . HA parsed_1d9j 1
42 1 1 . . . . . . . . . 5 . HD# parsed_1d9j 1
42 1 2 . . . . . . . . . 4 . HD1# parsed_1d9j 1
43 1 1 . . . . . . . . . 5 . HD# parsed_1d9j 1
43 1 2 . . . . . . . . . 4 . HG parsed_1d9j 1
44 1 1 . . . . . . . . . 5 . HD# parsed_1d9j 1
44 1 2 . . . . . . . . . 4 . HB# parsed_1d9j 1
45 1 1 . . . . . . . . . 6 . HN parsed_1d9j 1
45 1 2 . . . . . . . . . 5 . HB1 parsed_1d9j 1
46 1 1 . . . . . . . . . 6 . HN parsed_1d9j 1
46 1 2 . . . . . . . . . 5 . HB2 parsed_1d9j 1
47 1 1 . . . . . . . . . 6 . HN parsed_1d9j 1
47 1 2 . . . . . . . . . 5 . HD# parsed_1d9j 1
48 1 1 . . . . . . . . . 8 . HN parsed_1d9j 1
48 1 2 . . . . . . . . . 7 . HB# parsed_1d9j 1
49 1 1 . . . . . . . . . 9 . HN parsed_1d9j 1
49 1 2 . . . . . . . . . 8 . HB parsed_1d9j 1
50 1 1 . . . . . . . . . 9 . HA parsed_1d9j 1
50 1 2 . . . . . . . . . 8 . HG2# parsed_1d9j 1
51 1 1 . . . . . . . . . 9 . HN parsed_1d9j 1
51 1 2 . . . . . . . . . 10 . HG2# parsed_1d9j 1
52 1 1 . . . . . . . . . 11 . HN parsed_1d9j 1
52 1 2 . . . . . . . . . 10 . HB parsed_1d9j 1
53 1 1 . . . . . . . . . 11 . HN parsed_1d9j 1
53 1 2 . . . . . . . . . 10 . HG2# parsed_1d9j 1
54 1 1 . . . . . . . . . 13 . HN parsed_1d9j 1
54 1 2 . . . . . . . . . 12 . HB# parsed_1d9j 1
55 1 1 . . . . . . . . . 13 . HN parsed_1d9j 1
55 1 2 . . . . . . . . . 12 . HG# parsed_1d9j 1
56 1 1 . . . . . . . . . 13 . HD# parsed_1d9j 1
56 1 2 . . . . . . . . . 14 . HD1# parsed_1d9j 1
57 1 1 . . . . . . . . . 14 . HN parsed_1d9j 1
57 1 2 . . . . . . . . . 13 . HD# parsed_1d9j 1
58 1 1 . . . . . . . . . 14 . HN parsed_1d9j 1
58 1 2 . . . . . . . . . 13 . HB1 parsed_1d9j 1
59 1 1 . . . . . . . . . 14 . HN parsed_1d9j 1
59 1 2 . . . . . . . . . 13 . HB2 parsed_1d9j 1
60 1 1 . . . . . . . . . 16 . HN parsed_1d9j 1
60 1 2 . . . . . . . . . 15 . HB# parsed_1d9j 1
61 1 1 . . . . . . . . . 17 . HN parsed_1d9j 1
61 1 2 . . . . . . . . . 16 . HB1 parsed_1d9j 1
62 1 1 . . . . . . . . . 18 . HN parsed_1d9j 1
62 1 2 . . . . . . . . . 17 . HB# parsed_1d9j 1
63 1 1 . . . . . . . . . 19 . HN parsed_1d9j 1
63 1 2 . . . . . . . . . 18 . HB# parsed_1d9j 1
64 1 1 . . . . . . . . . 20 . HN parsed_1d9j 1
64 1 2 . . . . . . . . . 19 . HB# parsed_1d9j 1
65 1 1 . . . . . . . . . 20 . HN parsed_1d9j 1
65 1 2 . . . . . . . . . 19 . HG# parsed_1d9j 1
66 1 1 . . . . . . . . . 20 . HD# parsed_1d9j 1
66 1 2 . . . . . . . . . 19 . HA parsed_1d9j 1
67 1 1 . . . . . . . . . 20 . HD# parsed_1d9j 1
67 1 2 . . . . . . . . . 19 . HB# parsed_1d9j 1
68 1 1 . . . . . . . . . 20 . HD# parsed_1d9j 1
68 1 2 . . . . . . . . . 19 . HG# parsed_1d9j 1
69 1 1 . . . . . . . . . 6 . HN parsed_1d9j 1
69 1 2 . . . . . . . . . 8 . HN parsed_1d9j 1
70 1 1 . . . . . . . . . 12 . HN parsed_1d9j 1
70 1 2 . . . . . . . . . 10 . HG2# parsed_1d9j 1
71 1 1 . . . . . . . . . 18 . HN parsed_1d9j 1
71 1 2 . . . . . . . . . 16 . HA parsed_1d9j 1
72 1 1 . . . . . . . . . 5 . HD# parsed_1d9j 1
72 1 2 . . . . . . . . . 8 . HG12 parsed_1d9j 1
73 1 1 . . . . . . . . . 7 . HN parsed_1d9j 1
73 1 2 . . . . . . . . . 4 . HA parsed_1d9j 1
74 1 1 . . . . . . . . . 8 . HN parsed_1d9j 1
74 1 2 . . . . . . . . . 5 . HA parsed_1d9j 1
75 1 1 . . . . . . . . . 13 . HN parsed_1d9j 1
75 1 2 . . . . . . . . . 10 . HA parsed_1d9j 1
76 1 1 . . . . . . . . . 13 . HD# parsed_1d9j 1
76 1 2 . . . . . . . . . 10 . HG2# parsed_1d9j 1
77 1 1 . . . . . . . . . 13 . HD# parsed_1d9j 1
77 1 2 . . . . . . . . . 10 . HB parsed_1d9j 1
78 1 1 . . . . . . . . . 14 . HN parsed_1d9j 1
78 1 2 . . . . . . . . . 11 . HA1 parsed_1d9j 1
79 1 1 . . . . . . . . . 17 . HN parsed_1d9j 1
79 1 2 . . . . . . . . . 14 . HB# parsed_1d9j 1
80 1 1 . . . . . . . . . 17 . HN parsed_1d9j 1
80 1 2 . . . . . . . . . 14 . HD1# parsed_1d9j 1
81 1 1 . . . . . . . . . 19 . HN parsed_1d9j 1
81 1 2 . . . . . . . . . 16 . HA parsed_1d9j 1
82 1 1 . . . . . . . . . 20 . HD# parsed_1d9j 1
82 1 2 . . . . . . . . . 17 . HB# parsed_1d9j 1
83 1 1 . . . . . . . . . 4 . HA parsed_1d9j 1
83 1 2 . . . . . . . . . 7 . HB# parsed_1d9j 1
84 1 1 . . . . . . . . . 5 . HA parsed_1d9j 1
84 1 2 . . . . . . . . . 8 . HB# parsed_1d9j 1
85 1 1 . . . . . . . . . 10 . HA parsed_1d9j 1
85 1 2 . . . . . . . . . 13 . HB1 parsed_1d9j 1
86 1 1 . . . . . . . . . 10 . HA parsed_1d9j 1
86 1 2 . . . . . . . . . 13 . HB2 parsed_1d9j 1
87 1 1 . . . . . . . . . 11 . HA1 parsed_1d9j 1
87 1 2 . . . . . . . . . 14 . HB# parsed_1d9j 1
88 1 1 . . . . . . . . . 11 . HA2 parsed_1d9j 1
88 1 2 . . . . . . . . . 14 . HB# parsed_1d9j 1
89 1 1 . . . . . . . . . 12 . HA parsed_1d9j 1
89 1 2 . . . . . . . . . 15 . HB# parsed_1d9j 1
90 1 1 . . . . . . . . . 13 . HA parsed_1d9j 1
90 1 2 . . . . . . . . . 16 . HB1 parsed_1d9j 1
91 1 1 . . . . . . . . . 13 . HA parsed_1d9j 1
91 1 2 . . . . . . . . . 16 . HB2 parsed_1d9j 1
92 1 1 . . . . . . . . . 14 . HA parsed_1d9j 1
92 1 2 . . . . . . . . . 17 . HB# parsed_1d9j 1
93 1 1 . . . . . . . . . 15 . HA parsed_1d9j 1
93 1 2 . . . . . . . . . 18 . HB# parsed_1d9j 1
94 1 1 . . . . . . . . . 16 . HA parsed_1d9j 1
94 1 2 . . . . . . . . . 19 . HB# parsed_1d9j 1
95 1 1 . . . . . . . . . 17 . HA parsed_1d9j 1
95 1 2 . . . . . . . . . 20 . HB1 parsed_1d9j 1
96 1 1 . . . . . . . . . 17 . HA parsed_1d9j 1
96 1 2 . . . . . . . . . 20 . HB2 parsed_1d9j 1
97 1 1 . . . . . . . . . 15 . HN parsed_1d9j 1
97 1 2 . . . . . . . . . 12 . HA parsed_1d9j 1
98 1 1 . . . . . . . . . 16 . HN parsed_1d9j 1
98 1 2 . . . . . . . . . 13 . HA parsed_1d9j 1
99 1 1 . . . . . . . . . 18 . HN parsed_1d9j 1
99 1 2 . . . . . . . . . 15 . HA parsed_1d9j 1
100 1 1 . . . . . . . . . 15 . HD2 parsed_1d9j 1
100 1 2 . . . . . . . . . 12 . HB# parsed_1d9j 1
101 1 1 . . . . . . . . . 2 . HD1 parsed_1d9j 1
101 1 2 . . . . . . . . . 2 . HB# parsed_1d9j 1
102 1 1 . . . . . . . . . 2 . HE3 parsed_1d9j 1
102 1 2 . . . . . . . . . 2 . HB# parsed_1d9j 1
103 1 1 . . . . . . . . . 3 . HN parsed_1d9j 1
103 1 2 . . . . . . . . . 3 . HB# parsed_1d9j 1
104 1 1 . . . . . . . . . 3 . HN parsed_1d9j 1
104 1 2 . . . . . . . . . 3 . HG# parsed_1d9j 1
105 1 1 . . . . . . . . . 4 . HN parsed_1d9j 1
105 1 2 . . . . . . . . . 4 . HB# parsed_1d9j 1
106 1 1 . . . . . . . . . 4 . HN parsed_1d9j 1
106 1 2 . . . . . . . . . 4 . HG parsed_1d9j 1
107 1 1 . . . . . . . . . 4 . HN parsed_1d9j 1
107 1 2 . . . . . . . . . 4 . HD2# parsed_1d9j 1
108 1 1 . . . . . . . . . 4 . HN parsed_1d9j 1
108 1 2 . . . . . . . . . 4 . HD1# parsed_1d9j 1
109 1 1 . . . . . . . . . 5 . HN parsed_1d9j 1
109 1 2 . . . . . . . . . 5 . HB1 parsed_1d9j 1
110 1 1 . . . . . . . . . 5 . HN parsed_1d9j 1
110 1 2 . . . . . . . . . 5 . HB2 parsed_1d9j 1
111 1 1 . . . . . . . . . 5 . HD# parsed_1d9j 1
111 1 2 . . . . . . . . . 5 . HA parsed_1d9j 1
112 1 1 . . . . . . . . . 5 . HD# parsed_1d9j 1
112 1 2 . . . . . . . . . 5 . HB1 parsed_1d9j 1
113 1 1 . . . . . . . . . 5 . HD# parsed_1d9j 1
113 1 2 . . . . . . . . . 5 . HB2 parsed_1d9j 1
114 1 1 . . . . . . . . . 6 . HN parsed_1d9j 1
114 1 2 . . . . . . . . . 6 . HB# parsed_1d9j 1
115 1 1 . . . . . . . . . 6 . HN parsed_1d9j 1
115 1 2 . . . . . . . . . 6 . HG# parsed_1d9j 1
116 1 1 . . . . . . . . . 7 . HN parsed_1d9j 1
116 1 2 . . . . . . . . . 7 . HB# parsed_1d9j 1
117 1 1 . . . . . . . . . 7 . HN parsed_1d9j 1
117 1 2 . . . . . . . . . 7 . HG# parsed_1d9j 1
118 1 1 . . . . . . . . . 8 . HN parsed_1d9j 1
118 1 2 . . . . . . . . . 8 . HB parsed_1d9j 1
119 1 1 . . . . . . . . . 8 . HN parsed_1d9j 1
119 1 2 . . . . . . . . . 8 . HG12 parsed_1d9j 1
120 1 1 . . . . . . . . . 8 . HN parsed_1d9j 1
120 1 2 . . . . . . . . . 8 . HG11 parsed_1d9j 1
121 1 1 . . . . . . . . . 8 . HN parsed_1d9j 1
121 1 2 . . . . . . . . . 8 . HG2# parsed_1d9j 1
122 1 1 . . . . . . . . . 10 . HN parsed_1d9j 1
122 1 2 . . . . . . . . . 10 . HB parsed_1d9j 1
123 1 1 . . . . . . . . . 10 . HN parsed_1d9j 1
123 1 2 . . . . . . . . . 10 . HG12 parsed_1d9j 1
124 1 1 . . . . . . . . . 10 . HN parsed_1d9j 1
124 1 2 . . . . . . . . . 10 . HG11 parsed_1d9j 1
125 1 1 . . . . . . . . . 10 . HN parsed_1d9j 1
125 1 2 . . . . . . . . . 10 . HG2# parsed_1d9j 1
126 1 1 . . . . . . . . . 12 . HN parsed_1d9j 1
126 1 2 . . . . . . . . . 12 . HB# parsed_1d9j 1
127 1 1 . . . . . . . . . 12 . HN parsed_1d9j 1
127 1 2 . . . . . . . . . 12 . HG# parsed_1d9j 1
128 1 1 . . . . . . . . . 12 . HN parsed_1d9j 1
128 1 2 . . . . . . . . . 12 . HD# parsed_1d9j 1
129 1 1 . . . . . . . . . 13 . HN parsed_1d9j 1
129 1 2 . . . . . . . . . 13 . HB1 parsed_1d9j 1
130 1 1 . . . . . . . . . 13 . HN parsed_1d9j 1
130 1 2 . . . . . . . . . 13 . HB2 parsed_1d9j 1
131 1 1 . . . . . . . . . 13 . HN parsed_1d9j 1
131 1 2 . . . . . . . . . 13 . HD# parsed_1d9j 1
132 1 1 . . . . . . . . . 13 . HD# parsed_1d9j 1
132 1 2 . . . . . . . . . 13 . HA parsed_1d9j 1
133 1 1 . . . . . . . . . 13 . HD# parsed_1d9j 1
133 1 2 . . . . . . . . . 13 . HB1 parsed_1d9j 1
134 1 1 . . . . . . . . . 13 . HD# parsed_1d9j 1
134 1 2 . . . . . . . . . 13 . HB2 parsed_1d9j 1
135 1 1 . . . . . . . . . 14 . HN parsed_1d9j 1
135 1 2 . . . . . . . . . 14 . HB# parsed_1d9j 1
136 1 1 . . . . . . . . . 14 . HN parsed_1d9j 1
136 1 2 . . . . . . . . . 14 . HG parsed_1d9j 1
137 1 1 . . . . . . . . . 14 . HN parsed_1d9j 1
137 1 2 . . . . . . . . . 14 . HD1# parsed_1d9j 1
138 1 1 . . . . . . . . . 14 . HN parsed_1d9j 1
138 1 2 . . . . . . . . . 14 . HD2# parsed_1d9j 1
139 1 1 . . . . . . . . . 15 . HN parsed_1d9j 1
139 1 2 . . . . . . . . . 15 . HB# parsed_1d9j 1
140 1 1 . . . . . . . . . 15 . HD2 parsed_1d9j 1
140 1 2 . . . . . . . . . 15 . HB# parsed_1d9j 1
141 1 1 . . . . . . . . . 16 . HN parsed_1d9j 1
141 1 2 . . . . . . . . . 16 . HB1 parsed_1d9j 1
142 1 1 . . . . . . . . . 16 . HN parsed_1d9j 1
142 1 2 . . . . . . . . . 16 . HB2 parsed_1d9j 1
143 1 1 . . . . . . . . . 17 . HN parsed_1d9j 1
143 1 2 . . . . . . . . . 17 . HB# parsed_1d9j 1
144 1 1 . . . . . . . . . 18 . HN parsed_1d9j 1
144 1 2 . . . . . . . . . 18 . HB# parsed_1d9j 1
145 1 1 . . . . . . . . . 18 . HN parsed_1d9j 1
145 1 2 . . . . . . . . . 18 . HG# parsed_1d9j 1
146 1 1 . . . . . . . . . 19 . HN parsed_1d9j 1
146 1 2 . . . . . . . . . 19 . HB# parsed_1d9j 1
147 1 1 . . . . . . . . . 19 . HN parsed_1d9j 1
147 1 2 . . . . . . . . . 19 . HG# parsed_1d9j 1
148 1 1 . . . . . . . . . 20 . HN parsed_1d9j 1
148 1 2 . . . . . . . . . 20 . HB1 parsed_1d9j 1
149 1 1 . . . . . . . . . 20 . HN parsed_1d9j 1
149 1 2 . . . . . . . . . 20 . HB2 parsed_1d9j 1
150 1 1 . . . . . . . . . 20 . HD# parsed_1d9j 1
150 1 2 . . . . . . . . . 20 . HA parsed_1d9j 1
151 1 1 . . . . . . . . . 20 . HD# parsed_1d9j 1
151 1 2 . . . . . . . . . 20 . HB1 parsed_1d9j 1
152 1 1 . . . . . . . . . 20 . HD# parsed_1d9j 1
152 1 2 . . . . . . . . . 20 . HB2 parsed_1d9j 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 3.3 parsed_1d9j 1
2 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
3 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
4 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
5 1 . . . . . 2.5 1.8 2.7 parsed_1d9j 1
6 1 . . . . . 2.5 1.8 2.7 parsed_1d9j 1
7 1 . . . . . 2.5 1.8 2.7 parsed_1d9j 1
8 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
9 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
10 1 . . . . . 2.5 1.8 2.7 parsed_1d9j 1
11 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
12 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
13 1 . . . . . 2.5 1.8 2.7 parsed_1d9j 1
14 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
15 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
16 1 . . . . . 2.5 1.8 2.7 parsed_1d9j 1
17 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
18 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
19 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
20 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
21 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
22 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
23 1 . . . . . 2.5 1.8 2.7 parsed_1d9j 1
24 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
25 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
26 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
27 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
28 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
29 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
30 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
31 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
32 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
33 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
34 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
35 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
36 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
37 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
38 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
39 1 . . . . . 4.0 1.8 6.5 parsed_1d9j 1
40 1 . . . . . 4.0 1.8 6.5 parsed_1d9j 1
41 1 . . . . . 4.0 1.8 7.0 parsed_1d9j 1
42 1 . . . . . 3.0 1.8 6.8 parsed_1d9j 1
43 1 . . . . . 3.0 1.8 5.3 parsed_1d9j 1
44 1 . . . . . 3.0 1.8 6.3 parsed_1d9j 1
45 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
46 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
47 1 . . . . . 4.0 1.8 7.0 parsed_1d9j 1
48 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
49 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
50 1 . . . . . 4.0 1.8 6.5 parsed_1d9j 1
51 1 . . . . . 3.0 1.8 4.8 parsed_1d9j 1
52 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
53 1 . . . . . 3.0 1.8 4.8 parsed_1d9j 1
54 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
55 1 . . . . . 4.0 1.8 6.0 parsed_1d9j 1
56 1 . . . . . 2.5 1.8 6.2 parsed_1d9j 1
57 1 . . . . . 4.0 1.8 7.0 parsed_1d9j 1
58 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
59 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
60 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
61 1 . . . . . 2.5 1.8 2.7 parsed_1d9j 1
62 1 . . . . . 2.5 1.8 4.2 parsed_1d9j 1
63 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
64 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
65 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
66 1 . . . . . 3.0 1.8 5.3 parsed_1d9j 1
67 1 . . . . . 3.0 1.8 6.3 parsed_1d9j 1
68 1 . . . . . 3.0 1.8 6.3 parsed_1d9j 1
69 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
70 1 . . . . . 4.0 1.8 6.5 parsed_1d9j 1
71 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
72 1 . . . . . 3.0 1.8 5.3 parsed_1d9j 1
73 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
74 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
75 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
76 1 . . . . . 3.0 1.8 6.7 parsed_1d9j 1
77 1 . . . . . 3.0 1.8 5.3 parsed_1d9j 1
78 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
79 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
80 1 . . . . . 3.0 1.8 4.8 parsed_1d9j 1
81 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
82 1 . . . . . 3.0 1.8 6.8 parsed_1d9j 1
83 1 . . . . . 4.0 1.8 6.0 parsed_1d9j 1
84 1 . . . . . 4.0 1.8 6.0 parsed_1d9j 1
85 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
86 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
87 1 . . . . . 4.0 1.8 6.0 parsed_1d9j 1
88 1 . . . . . 4.0 1.8 6.0 parsed_1d9j 1
89 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
90 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
91 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
92 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
93 1 . . . . . 4.0 1.8 6.0 parsed_1d9j 1
94 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
95 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
96 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
97 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
98 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
99 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
100 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
101 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
102 1 . . . . . 2.5 1.8 3.7 parsed_1d9j 1
103 1 . . . . . 2.5 1.8 3.7 parsed_1d9j 1
104 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
105 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
106 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
107 1 . . . . . 4.0 1.8 6.5 parsed_1d9j 1
108 1 . . . . . 4.0 1.8 6.5 parsed_1d9j 1
109 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
110 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
111 1 . . . . . 3.0 1.8 5.3 parsed_1d9j 1
112 1 . . . . . 3.0 1.8 5.3 parsed_1d9j 1
113 1 . . . . . 3.0 1.8 5.3 parsed_1d9j 1
114 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
115 1 . . . . . 4.0 1.8 6.0 parsed_1d9j 1
116 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
117 1 . . . . . 4.0 1.8 6.0 parsed_1d9j 1
118 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
119 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
120 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
121 1 . . . . . 3.0 1.8 4.8 parsed_1d9j 1
122 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
123 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
124 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
125 1 . . . . . 3.0 1.8 4.8 parsed_1d9j 1
126 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
127 1 . . . . . 4.0 1.8 6.0 parsed_1d9j 1
128 1 . . . . . 4.0 1.8 6.0 parsed_1d9j 1
129 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
130 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
131 1 . . . . . 3.0 1.8 5.3 parsed_1d9j 1
132 1 . . . . . 3.0 1.8 5.3 parsed_1d9j 1
133 1 . . . . . 3.0 1.8 5.3 parsed_1d9j 1
134 1 . . . . . 3.0 1.8 5.3 parsed_1d9j 1
135 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
136 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
137 1 . . . . . 4.0 1.8 6.5 parsed_1d9j 1
138 1 . . . . . 4.0 1.8 6.5 parsed_1d9j 1
139 1 . . . . . 2.5 1.8 3.7 parsed_1d9j 1
140 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
141 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
142 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
143 1 . . . . . 2.5 1.8 4.2 parsed_1d9j 1
144 1 . . . . . 2.5 1.8 3.7 parsed_1d9j 1
145 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
146 1 . . . . . 2.5 1.8 3.7 parsed_1d9j 1
147 1 . . . . . 3.0 1.8 4.3 parsed_1d9j 1
148 1 . . . . . 4.0 1.8 5.0 parsed_1d9j 1
149 1 . . . . . 3.0 1.8 3.3 parsed_1d9j 1
150 1 . . . . . 3.0 1.8 5.3 parsed_1d9j 1
151 1 . . . . . 2.5 1.8 4.7 parsed_1d9j 1
152 1 . . . . . 2.5 1.8 4.7 parsed_1d9j 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1d9j
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_1d9j 2
2 1 . . . parsed_1d9j 2
3 1 . . . parsed_1d9j 2
4 1 . . . parsed_1d9j 2
5 1 . . . parsed_1d9j 2
6 1 . . . parsed_1d9j 2
7 1 . . . parsed_1d9j 2
8 1 . . . parsed_1d9j 2
9 1 . . . parsed_1d9j 2
10 1 . . . parsed_1d9j 2
11 1 . . . parsed_1d9j 2
12 1 . . . parsed_1d9j 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 . . . . . . . . . 5 . N parsed_1d9j 2
1 1 2 . . . . . . . . . 2 . O parsed_1d9j 2
2 1 1 . . . . . . . . . 6 . N parsed_1d9j 2
2 1 2 . . . . . . . . . 3 . O parsed_1d9j 2
3 1 1 . . . . . . . . . 8 . N parsed_1d9j 2
3 1 2 . . . . . . . . . 5 . O parsed_1d9j 2
4 1 1 . . . . . . . . . 16 . N parsed_1d9j 2
4 1 2 . . . . . . . . . 13 . O parsed_1d9j 2
5 1 1 . . . . . . . . . 18 . N parsed_1d9j 2
5 1 2 . . . . . . . . . 15 . O parsed_1d9j 2
6 1 1 . . . . . . . . . 20 . N parsed_1d9j 2
6 1 2 . . . . . . . . . 17 . O parsed_1d9j 2
7 1 1 . . . . . . . . . 5 . HN parsed_1d9j 2
7 1 2 . . . . . . . . . 2 . O parsed_1d9j 2
8 1 1 . . . . . . . . . 6 . HN parsed_1d9j 2
8 1 2 . . . . . . . . . 3 . O parsed_1d9j 2
9 1 1 . . . . . . . . . 8 . HN parsed_1d9j 2
9 1 2 . . . . . . . . . 5 . O parsed_1d9j 2
10 1 1 . . . . . . . . . 16 . HN parsed_1d9j 2
10 1 2 . . . . . . . . . 13 . O parsed_1d9j 2
11 1 1 . . . . . . . . . 18 . HN parsed_1d9j 2
11 1 2 . . . . . . . . . 15 . O parsed_1d9j 2
12 1 1 . . . . . . . . . 20 . HN parsed_1d9j 2
12 1 2 . . . . . . . . . 17 . O parsed_1d9j 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 . . . . . 3.3 2.5 3.5 parsed_1d9j 2
2 1 . . . . . 3.3 2.5 3.5 parsed_1d9j 2
3 1 . . . . . 3.3 2.5 3.5 parsed_1d9j 2
4 1 . . . . . 3.3 2.5 3.5 parsed_1d9j 2
5 1 . . . . . 3.3 2.5 3.5 parsed_1d9j 2
6 1 . . . . . 3.3 2.5 3.5 parsed_1d9j 2
7 1 . . . . . 2.3 1.5 2.5 parsed_1d9j 2
8 1 . . . . . 2.3 1.5 2.5 parsed_1d9j 2
9 1 . . . . . 2.3 1.5 2.5 parsed_1d9j 2
10 1 . . . . . 2.3 1.5 2.5 parsed_1d9j 2
11 1 . . . . . 2.3 1.5 2.5 parsed_1d9j 2
12 1 . . . . . 2.3 1.5 2.5 parsed_1d9j 2
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1d9j
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1d9j 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1d9j 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1d9j 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1d9j 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -45.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1d9j 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1d9j 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -45.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1d9j 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -45.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1d9j 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -45.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1d9j 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1d9j 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1d9j 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -45.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1d9j 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -45.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1d9j 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1d9j 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -45.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1d9j 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1d9j 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1d9j 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -45.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1d9j 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
! 3
;
1 1 3 10 parsed_1d9j 1
2 "! 4" 6 3 6 10 parsed_1d9j 1
3 "! 5" 9 3 9 10 parsed_1d9j 1
4 "! 6" 12 3 12 10 parsed_1d9j 1
5 "! 7" 15 3 15 10 parsed_1d9j 1
6 "! 8" 18 3 18 10 parsed_1d9j 1
7 "! 9" 21 3 21 11 parsed_1d9j 1
8 "! 10" 24 3 24 11 parsed_1d9j 1
9 "! 11" 27 3 27 11 parsed_1d9j 1
10 "! 12" 30 3 30 12 parsed_1d9j 1
11 "! 13" 33 3 33 12 parsed_1d9j 1
12 "! 14" 36 3 36 12 parsed_1d9j 1
13 "! 15" 39 3 39 12 parsed_1d9j 1
14 "! 16" 42 3 42 12 parsed_1d9j 1
15 "! 17" 45 3 45 12 parsed_1d9j 1
16 "! 18" 48 3 48 12 parsed_1d9j 1
17 "! 19" 51 3 51 12 parsed_1d9j 1
18 "! 20" 54 3 54 12 parsed_1d9j 1
stop_
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1d9j
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
HEADER MEMBRANE PROTEIN 28-OCT-99 1D9J
TITLE SOLUTION STRUCTURE OF CECROPIN A(1-8)-MAGAININ 2(1-12)
TITLE 2 HYBRID PEPTIDE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CECROPIN A(1-8)-MAGAININ 2(1-12) HYBRID PEPTIDE;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS + HYALOPHORA CECROPIA;
SOURCE 3 ORGANISM_COMMON: AFRICAN CLAWED FROG + CECROPIA MOTH;
SOURCE 4 CELLULAR_LOCATION: MEMBRANE
KEYWDS HELIX-HINGE-HELIX
EXPDTA NMR, 20 STRUCTURES
AUTHOR D.OH, Y.KIM
REVDAT 1 11-NOV-99 1D9J 0
;
save_
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