NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
30484 |
1cnl   |
4399 | cing | 2-parsed | STAR | entry | full | 117 |
data_1cnl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1cnl
_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_1cnl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1cnl
_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 1cnl "Master copy" parsed_1cnl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1cnl
_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 1cnl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1cnl 1
1 1cnl.mr . . XPLOR/CNS 2 distance NOE simple 117 parsed_1cnl 1
1 1cnl.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1cnl 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_1cnl
_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-MAY-99 1CNL
*TITLE ALPHA-CONOTOXIN IMI
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ALPHA-CONOTOXIN IMI;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE
*SOURCE 4 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN CONUS
*SOURCE 5 IMPERIALIS.
*KEYWDS CONOTOXIN, NICOTINIC ACETYLCHOLINE RECEPTOR BLOCKER
*EXPDTA NMR, 10 STRUCTURES
*AUTHOR J.GEHRMANN, N.L.DALY, D.J.CRAIK
*REVDAT 1 27-MAY-99 1CNL 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1cnl
_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_1cnl 1
2 1 . . . parsed_1cnl 1
3 1 . . . parsed_1cnl 1
4 1 . . . parsed_1cnl 1
5 1 . . . parsed_1cnl 1
6 1 . . . parsed_1cnl 1
7 1 . . . parsed_1cnl 1
8 1 . . . parsed_1cnl 1
9 1 . . . parsed_1cnl 1
10 1 . . . parsed_1cnl 1
11 1 . . . parsed_1cnl 1
12 1 . . . parsed_1cnl 1
13 1 . . . parsed_1cnl 1
14 1 . . . parsed_1cnl 1
15 1 . . . parsed_1cnl 1
16 1 . . . parsed_1cnl 1
17 1 . . . parsed_1cnl 1
18 1 . . . parsed_1cnl 1
19 1 . . . parsed_1cnl 1
20 1 . . . parsed_1cnl 1
21 1 . . . parsed_1cnl 1
22 1 . . . parsed_1cnl 1
23 1 . . . parsed_1cnl 1
24 1 . . . parsed_1cnl 1
25 1 . . . parsed_1cnl 1
26 1 . . . parsed_1cnl 1
27 1 . . . parsed_1cnl 1
28 1 . . . parsed_1cnl 1
29 1 . . . parsed_1cnl 1
30 1 . . . parsed_1cnl 1
31 1 . . . parsed_1cnl 1
32 1 . . . parsed_1cnl 1
33 1 . . . parsed_1cnl 1
34 1 . . . parsed_1cnl 1
35 1 . . . parsed_1cnl 1
36 1 . . . parsed_1cnl 1
37 1 . . . parsed_1cnl 1
38 1 . . . parsed_1cnl 1
39 1 . . . parsed_1cnl 1
40 1 . . . parsed_1cnl 1
41 1 . . . parsed_1cnl 1
42 1 . . . parsed_1cnl 1
43 1 . . . parsed_1cnl 1
44 1 . . . parsed_1cnl 1
45 1 . . . parsed_1cnl 1
46 1 . . . parsed_1cnl 1
47 1 . . . parsed_1cnl 1
48 1 . . . parsed_1cnl 1
49 1 . . . parsed_1cnl 1
50 1 . . . parsed_1cnl 1
51 1 . . . parsed_1cnl 1
52 1 . . . parsed_1cnl 1
53 1 . . . parsed_1cnl 1
54 1 . . . parsed_1cnl 1
55 1 . . . parsed_1cnl 1
56 1 . . . parsed_1cnl 1
57 1 . . . parsed_1cnl 1
58 1 . . . parsed_1cnl 1
59 1 . . . parsed_1cnl 1
60 1 . . . parsed_1cnl 1
61 1 . . . parsed_1cnl 1
62 1 . . . parsed_1cnl 1
63 1 . . . parsed_1cnl 1
64 1 . . . parsed_1cnl 1
65 1 . . . parsed_1cnl 1
66 1 . . . parsed_1cnl 1
67 1 . . . parsed_1cnl 1
68 1 . . . parsed_1cnl 1
69 1 . . . parsed_1cnl 1
70 1 . . . parsed_1cnl 1
71 1 . . . parsed_1cnl 1
72 1 . . . parsed_1cnl 1
73 1 . . . parsed_1cnl 1
74 1 . . . parsed_1cnl 1
75 1 . . . parsed_1cnl 1
76 1 . . . parsed_1cnl 1
77 1 . . . parsed_1cnl 1
78 1 . . . parsed_1cnl 1
79 1 . . . parsed_1cnl 1
80 1 . . . parsed_1cnl 1
81 1 . . . parsed_1cnl 1
82 1 . . . parsed_1cnl 1
83 1 . . . parsed_1cnl 1
84 1 . . . parsed_1cnl 1
85 1 . . . parsed_1cnl 1
86 1 . . . parsed_1cnl 1
87 1 . . . parsed_1cnl 1
88 1 . . . parsed_1cnl 1
89 1 . . . parsed_1cnl 1
90 1 . . . parsed_1cnl 1
91 1 . . . parsed_1cnl 1
92 1 . . . parsed_1cnl 1
93 1 . . . parsed_1cnl 1
94 1 . . . parsed_1cnl 1
95 1 . . . parsed_1cnl 1
96 1 . . . parsed_1cnl 1
97 1 . . . parsed_1cnl 1
98 1 . . . parsed_1cnl 1
99 1 . . . parsed_1cnl 1
100 1 . . . parsed_1cnl 1
101 1 . . . parsed_1cnl 1
102 1 . . . parsed_1cnl 1
103 1 . . . parsed_1cnl 1
104 1 . . . parsed_1cnl 1
105 1 . . . parsed_1cnl 1
106 1 . . . parsed_1cnl 1
107 1 . . . parsed_1cnl 1
108 1 . . . parsed_1cnl 1
109 1 . . . parsed_1cnl 1
110 1 . . . parsed_1cnl 1
111 1 . . . parsed_1cnl 1
112 1 . . . parsed_1cnl 1
113 1 . . . parsed_1cnl 1
114 1 . . . parsed_1cnl 1
115 1 . . . parsed_1cnl 1
116 1 . . . parsed_1cnl 1
117 1 . . . parsed_1cnl 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 1 . HA1 parsed_1cnl 1
1 1 2 . . . . . . . . . 2 . HN parsed_1cnl 1
2 1 1 . . . . . . . . . 1 . HA2 parsed_1cnl 1
2 1 2 . . . . . . . . . 2 . HN parsed_1cnl 1
3 1 1 . . . . . . . . . 1 . HA1 parsed_1cnl 1
3 1 2 . . . . . . . . . 3 . HN parsed_1cnl 1
4 1 1 . . . . . . . . . 1 . HA2 parsed_1cnl 1
4 1 2 . . . . . . . . . 3 . HN parsed_1cnl 1
5 1 1 . . . . . . . . . 2 . HN parsed_1cnl 1
5 1 2 . . . . . . . . . 2 . HA parsed_1cnl 1
6 1 1 . . . . . . . . . 2 . HN parsed_1cnl 1
6 1 2 . . . . . . . . . 2 . HB1 parsed_1cnl 1
7 1 1 . . . . . . . . . 2 . HN parsed_1cnl 1
7 1 2 . . . . . . . . . 2 . HB2 parsed_1cnl 1
8 1 1 . . . . . . . . . 2 . HN parsed_1cnl 1
8 1 2 . . . . . . . . . 3 . HN parsed_1cnl 1
9 1 1 . . . . . . . . . 2 . HA parsed_1cnl 1
9 1 2 . . . . . . . . . 3 . HN parsed_1cnl 1
10 1 1 . . . . . . . . . 2 . HB1 parsed_1cnl 1
10 1 2 . . . . . . . . . 3 . HN parsed_1cnl 1
11 1 1 . . . . . . . . . 2 . HB2 parsed_1cnl 1
11 1 2 . . . . . . . . . 3 . HN parsed_1cnl 1
12 1 1 . . . . . . . . . 2 . HA parsed_1cnl 1
12 1 2 . . . . . . . . . 8 . HN parsed_1cnl 1
13 1 1 . . . . . . . . . 2 . HA parsed_1cnl 1
13 1 2 . . . . . . . . . 8 . HB1 parsed_1cnl 1
14 1 1 . . . . . . . . . 2 . HA parsed_1cnl 1
14 1 2 . . . . . . . . . 8 . HB2 parsed_1cnl 1
15 1 1 . . . . . . . . . 2 . HA parsed_1cnl 1
15 1 2 . . . . . . . . . 7 . HG1 parsed_1cnl 1
16 1 1 . . . . . . . . . 2 . HA parsed_1cnl 1
16 1 2 . . . . . . . . . 7 . HG2 parsed_1cnl 1
17 1 1 . . . . . . . . . 3 . HN parsed_1cnl 1
17 1 2 . . . . . . . . . 4 . HN parsed_1cnl 1
18 1 1 . . . . . . . . . 3 . HN parsed_1cnl 1
18 1 2 . . . . . . . . . 5 . HN parsed_1cnl 1
19 1 1 . . . . . . . . . 3 . HA parsed_1cnl 1
19 1 2 . . . . . . . . . 8 . HN parsed_1cnl 1
20 1 1 . . . . . . . . . 3 . HB1 parsed_1cnl 1
20 1 2 . . . . . . . . . 8 . HN parsed_1cnl 1
21 1 1 . . . . . . . . . 3 . HB2 parsed_1cnl 1
21 1 2 . . . . . . . . . 8 . HN parsed_1cnl 1
22 1 1 . . . . . . . . . 3 . HA parsed_1cnl 1
22 1 2 . . . . . . . . . 9 . HA parsed_1cnl 1
23 1 1 . . . . . . . . . 3 . HB1 parsed_1cnl 1
23 1 2 . . . . . . . . . 9 . HA parsed_1cnl 1
24 1 1 . . . . . . . . . 3 . HB2 parsed_1cnl 1
24 1 2 . . . . . . . . . 9 . HA parsed_1cnl 1
25 1 1 . . . . . . . . . 3 . HB1 parsed_1cnl 1
25 1 2 . . . . . . . . . 10 . HA parsed_1cnl 1
26 1 1 . . . . . . . . . 3 . HB2 parsed_1cnl 1
26 1 2 . . . . . . . . . 10 . HA parsed_1cnl 1
27 1 1 . . . . . . . . . 3 . HA parsed_1cnl 1
27 1 2 . . . . . . . . . 12 . HN parsed_1cnl 1
28 1 1 . . . . . . . . . 3 . HB1 parsed_1cnl 1
28 1 2 . . . . . . . . . 12 . HA parsed_1cnl 1
29 1 1 . . . . . . . . . 3 . HB2 parsed_1cnl 1
29 1 2 . . . . . . . . . 12 . HA parsed_1cnl 1
30 1 1 . . . . . . . . . 3 . HN parsed_1cnl 1
30 1 2 . . . . . . . . . 3 . HA parsed_1cnl 1
31 1 1 . . . . . . . . . 3 . HN parsed_1cnl 1
31 1 2 . . . . . . . . . 3 . HB1 parsed_1cnl 1
32 1 1 . . . . . . . . . 3 . HN parsed_1cnl 1
32 1 2 . . . . . . . . . 3 . HB2 parsed_1cnl 1
33 1 1 . . . . . . . . . 4 . HN parsed_1cnl 1
33 1 2 . . . . . . . . . 5 . HN parsed_1cnl 1
34 1 1 . . . . . . . . . 4 . HA parsed_1cnl 1
34 1 2 . . . . . . . . . 5 . HN parsed_1cnl 1
35 1 1 . . . . . . . . . 4 . HN parsed_1cnl 1
35 1 2 . . . . . . . . . 4 . HB1 parsed_1cnl 1
36 1 1 . . . . . . . . . 4 . HN parsed_1cnl 1
36 1 2 . . . . . . . . . 4 . HB2 parsed_1cnl 1
37 1 1 . . . . . . . . . 4 . HN parsed_1cnl 1
37 1 2 . . . . . . . . . 4 . HA parsed_1cnl 1
38 1 1 . . . . . . . . . 5 . HA parsed_1cnl 1
38 1 2 . . . . . . . . . 7 . HN parsed_1cnl 1
39 1 1 . . . . . . . . . 5 . HA parsed_1cnl 1
39 1 2 . . . . . . . . . 6 . HD1 parsed_1cnl 1
40 1 1 . . . . . . . . . 5 . HA parsed_1cnl 1
40 1 2 . . . . . . . . . 6 . HD2 parsed_1cnl 1
41 1 1 . . . . . . . . . 5 . HA parsed_1cnl 1
41 1 2 . . . . . . . . . 6 . HG* parsed_1cnl 1
42 1 1 . . . . . . . . . 5 . HB1 parsed_1cnl 1
42 1 2 . . . . . . . . . 6 . HD1 parsed_1cnl 1
43 1 1 . . . . . . . . . 5 . HB2 parsed_1cnl 1
43 1 2 . . . . . . . . . 6 . HD2 parsed_1cnl 1
44 1 1 . . . . . . . . . 5 . HN parsed_1cnl 1
44 1 2 . . . . . . . . . 5 . HA parsed_1cnl 1
45 1 1 . . . . . . . . . 5 . HN parsed_1cnl 1
45 1 2 . . . . . . . . . 5 . HB1 parsed_1cnl 1
46 1 1 . . . . . . . . . 5 . HN parsed_1cnl 1
46 1 2 . . . . . . . . . 5 . HB2 parsed_1cnl 1
47 1 1 . . . . . . . . . 6 . HA parsed_1cnl 1
47 1 2 . . . . . . . . . 7 . HN parsed_1cnl 1
48 1 1 . . . . . . . . . 6 . HD1 parsed_1cnl 1
48 1 2 . . . . . . . . . 7 . HN parsed_1cnl 1
49 1 1 . . . . . . . . . 6 . HD2 parsed_1cnl 1
49 1 2 . . . . . . . . . 7 . HN parsed_1cnl 1
50 1 1 . . . . . . . . . 6 . HG* parsed_1cnl 1
50 1 2 . . . . . . . . . 7 . HN parsed_1cnl 1
51 1 1 . . . . . . . . . 6 . HA parsed_1cnl 1
51 1 2 . . . . . . . . . 8 . HB1 parsed_1cnl 1
52 1 1 . . . . . . . . . 6 . HA parsed_1cnl 1
52 1 2 . . . . . . . . . 8 . HB2 parsed_1cnl 1
53 1 1 . . . . . . . . . 6 . HA parsed_1cnl 1
53 1 2 . . . . . . . . . 9 . HB* parsed_1cnl 1
54 1 1 . . . . . . . . . 7 . HN parsed_1cnl 1
54 1 2 . . . . . . . . . 8 . HN parsed_1cnl 1
55 1 1 . . . . . . . . . 7 . HA parsed_1cnl 1
55 1 2 . . . . . . . . . 8 . HN parsed_1cnl 1
56 1 1 . . . . . . . . . 7 . HB1 parsed_1cnl 1
56 1 2 . . . . . . . . . 8 . HN parsed_1cnl 1
57 1 1 . . . . . . . . . 7 . HB2 parsed_1cnl 1
57 1 2 . . . . . . . . . 8 . HN parsed_1cnl 1
58 1 1 . . . . . . . . . 7 . HG* parsed_1cnl 1
58 1 2 . . . . . . . . . 8 . HB1 parsed_1cnl 1
59 1 1 . . . . . . . . . 7 . HA parsed_1cnl 1
59 1 2 . . . . . . . . . 9 . HN parsed_1cnl 1
60 1 1 . . . . . . . . . 7 . HN parsed_1cnl 1
60 1 2 . . . . . . . . . 7 . HA parsed_1cnl 1
61 1 1 . . . . . . . . . 7 . HN parsed_1cnl 1
61 1 2 . . . . . . . . . 7 . HB1 parsed_1cnl 1
62 1 1 . . . . . . . . . 7 . HN parsed_1cnl 1
62 1 2 . . . . . . . . . 7 . HB2 parsed_1cnl 1
63 1 1 . . . . . . . . . 8 . HN parsed_1cnl 1
63 1 2 . . . . . . . . . 9 . HN parsed_1cnl 1
64 1 1 . . . . . . . . . 8 . HN parsed_1cnl 1
64 1 2 . . . . . . . . . 9 . HA parsed_1cnl 1
65 1 1 . . . . . . . . . 8 . HA parsed_1cnl 1
65 1 2 . . . . . . . . . 9 . HN parsed_1cnl 1
66 1 1 . . . . . . . . . 8 . HN parsed_1cnl 1
66 1 2 . . . . . . . . . 9 . HB* parsed_1cnl 1
67 1 1 . . . . . . . . . 8 . HB1 parsed_1cnl 1
67 1 2 . . . . . . . . . 9 . HN parsed_1cnl 1
68 1 1 . . . . . . . . . 8 . HB2 parsed_1cnl 1
68 1 2 . . . . . . . . . 9 . HN parsed_1cnl 1
69 1 1 . . . . . . . . . 8 . HB1 parsed_1cnl 1
69 1 2 . . . . . . . . . 9 . HA parsed_1cnl 1
70 1 1 . . . . . . . . . 8 . HB2 parsed_1cnl 1
70 1 2 . . . . . . . . . 9 . HA parsed_1cnl 1
71 1 1 . . . . . . . . . 8 . HA parsed_1cnl 1
71 1 2 . . . . . . . . . 10 . HN parsed_1cnl 1
72 1 1 . . . . . . . . . 8 . HA parsed_1cnl 1
72 1 2 . . . . . . . . . 10 . HD1 parsed_1cnl 1
73 1 1 . . . . . . . . . 8 . HN parsed_1cnl 1
73 1 2 . . . . . . . . . 8 . HA parsed_1cnl 1
74 1 1 . . . . . . . . . 8 . HN parsed_1cnl 1
74 1 2 . . . . . . . . . 8 . HB1 parsed_1cnl 1
75 1 1 . . . . . . . . . 8 . HN parsed_1cnl 1
75 1 2 . . . . . . . . . 8 . HB2 parsed_1cnl 1
76 1 1 . . . . . . . . . 9 . HA parsed_1cnl 1
76 1 2 . . . . . . . . . 9 . HN parsed_1cnl 1
77 1 1 . . . . . . . . . 9 . HN parsed_1cnl 1
77 1 2 . . . . . . . . . 9 . HB* parsed_1cnl 1
78 1 1 . . . . . . . . . 9 . HN parsed_1cnl 1
78 1 2 . . . . . . . . . 10 . HN parsed_1cnl 1
79 1 1 . . . . . . . . . 9 . HA parsed_1cnl 1
79 1 2 . . . . . . . . . 10 . HN parsed_1cnl 1
80 1 1 . . . . . . . . . 9 . HA parsed_1cnl 1
80 1 2 . . . . . . . . . 10 . HA parsed_1cnl 1
81 1 1 . . . . . . . . . 9 . HB* parsed_1cnl 1
81 1 2 . . . . . . . . . 10 . HN parsed_1cnl 1
82 1 1 . . . . . . . . . 9 . HB* parsed_1cnl 1
82 1 2 . . . . . . . . . 10 . HD1 parsed_1cnl 1
83 1 1 . . . . . . . . . 9 . HB* parsed_1cnl 1
83 1 2 . . . . . . . . . 10 . HA parsed_1cnl 1
84 1 1 . . . . . . . . . 9 . HA parsed_1cnl 1
84 1 2 . . . . . . . . . 11 . HN parsed_1cnl 1
85 1 1 . . . . . . . . . 9 . HA parsed_1cnl 1
85 1 2 . . . . . . . . . 12 . HN parsed_1cnl 1
86 1 1 . . . . . . . . . 9 . HB* parsed_1cnl 1
86 1 2 . . . . . . . . . 12 . HN parsed_1cnl 1
87 1 1 . . . . . . . . . 10 . HN parsed_1cnl 1
87 1 2 . . . . . . . . . 10 . HD1 parsed_1cnl 1
88 1 1 . . . . . . . . . 10 . HA parsed_1cnl 1
88 1 2 . . . . . . . . . 10 . HD1 parsed_1cnl 1
89 1 1 . . . . . . . . . 10 . HA parsed_1cnl 1
89 1 2 . . . . . . . . . 10 . HE3 parsed_1cnl 1
90 1 1 . . . . . . . . . 10 . HN parsed_1cnl 1
90 1 2 . . . . . . . . . 11 . HN parsed_1cnl 1
91 1 1 . . . . . . . . . 10 . HD1 parsed_1cnl 1
91 1 2 . . . . . . . . . 11 . HN parsed_1cnl 1
92 1 1 . . . . . . . . . 10 . HA parsed_1cnl 1
92 1 2 . . . . . . . . . 11 . HN parsed_1cnl 1
93 1 1 . . . . . . . . . 10 . HB1 parsed_1cnl 1
93 1 2 . . . . . . . . . 11 . HN parsed_1cnl 1
94 1 1 . . . . . . . . . 10 . HB2 parsed_1cnl 1
94 1 2 . . . . . . . . . 11 . HN parsed_1cnl 1
95 1 1 . . . . . . . . . 10 . HN parsed_1cnl 1
95 1 2 . . . . . . . . . 12 . HN parsed_1cnl 1
96 1 1 . . . . . . . . . 10 . HB1 parsed_1cnl 1
96 1 2 . . . . . . . . . 12 . HN parsed_1cnl 1
97 1 1 . . . . . . . . . 10 . HB1 parsed_1cnl 1
97 1 2 . . . . . . . . . 12 . HN parsed_1cnl 1
98 1 1 . . . . . . . . . 10 . HA parsed_1cnl 1
98 1 2 . . . . . . . . . 10 . HB1 parsed_1cnl 1
99 1 1 . . . . . . . . . 10 . HA parsed_1cnl 1
99 1 2 . . . . . . . . . 10 . HB2 parsed_1cnl 1
100 1 1 . . . . . . . . . 10 . HA parsed_1cnl 1
100 1 2 . . . . . . . . . 10 . HB1 parsed_1cnl 1
101 1 1 . . . . . . . . . 10 . HA parsed_1cnl 1
101 1 2 . . . . . . . . . 10 . HB2 parsed_1cnl 1
102 1 1 . . . . . . . . . 11 . HA parsed_1cnl 1
102 1 2 . . . . . . . . . 10 . HE3 parsed_1cnl 1
103 1 1 . . . . . . . . . 10 . HB1 parsed_1cnl 1
103 1 2 . . . . . . . . . 10 . HE3 parsed_1cnl 1
104 1 1 . . . . . . . . . 10 . HB2 parsed_1cnl 1
104 1 2 . . . . . . . . . 10 . HE3 parsed_1cnl 1
105 1 1 . . . . . . . . . 10 . HB1 parsed_1cnl 1
105 1 2 . . . . . . . . . 10 . HD1 parsed_1cnl 1
106 1 1 . . . . . . . . . 10 . HB2 parsed_1cnl 1
106 1 2 . . . . . . . . . 10 . HD1 parsed_1cnl 1
107 1 1 . . . . . . . . . 10 . HN parsed_1cnl 1
107 1 2 . . . . . . . . . 10 . HA parsed_1cnl 1
108 1 1 . . . . . . . . . 10 . HN parsed_1cnl 1
108 1 2 . . . . . . . . . 10 . HB1 parsed_1cnl 1
109 1 1 . . . . . . . . . 10 . HN parsed_1cnl 1
109 1 2 . . . . . . . . . 10 . HB2 parsed_1cnl 1
110 1 1 . . . . . . . . . 11 . HN parsed_1cnl 1
110 1 2 . . . . . . . . . 12 . HN parsed_1cnl 1
111 1 1 . . . . . . . . . 11 . HA parsed_1cnl 1
111 1 2 . . . . . . . . . 12 . HN parsed_1cnl 1
112 1 1 . . . . . . . . . 11 . HN parsed_1cnl 1
112 1 2 . . . . . . . . . 11 . HA parsed_1cnl 1
113 1 1 . . . . . . . . . 12 . HA parsed_1cnl 1
113 1 2 . . . . . . . . . 12 . HN parsed_1cnl 1
114 1 1 . . . . . . . . . 12 . HB1 parsed_1cnl 1
114 1 2 . . . . . . . . . 12 . HN parsed_1cnl 1
115 1 1 . . . . . . . . . 12 . HB2 parsed_1cnl 1
115 1 2 . . . . . . . . . 12 . HN parsed_1cnl 1
116 1 1 . . . . . . . . . 12 . HB1 parsed_1cnl 1
116 1 2 . . . . . . . . . 12 . HA parsed_1cnl 1
117 1 1 . . . . . . . . . 12 . HB2 parsed_1cnl 1
117 1 2 . . . . . . . . . 12 . HA parsed_1cnl 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 . . . . . 0 0.0 2.7 parsed_1cnl 1
2 1 . . . . . 0 0.0 2.7 parsed_1cnl 1
3 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
4 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
5 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
6 1 . . . . . 0 0.0 2.7 parsed_1cnl 1
7 1 . . . . . 0 0.0 2.7 parsed_1cnl 1
8 1 . . . . . 0 0.0 2.7 parsed_1cnl 1
9 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
10 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
11 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
12 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
13 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
14 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
15 1 . . . . . 0 0.0 4.5 parsed_1cnl 1
16 1 . . . . . 0 0.0 4.5 parsed_1cnl 1
17 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
18 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
19 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
20 1 . . . . . 0 0.0 6.0 parsed_1cnl 1
21 1 . . . . . 0 0.0 6.0 parsed_1cnl 1
22 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
23 1 . . . . . 0 0.0 6.0 parsed_1cnl 1
24 1 . . . . . 0 0.0 6.0 parsed_1cnl 1
25 1 . . . . . 0 0.0 6.0 parsed_1cnl 1
26 1 . . . . . 0 0.0 6.0 parsed_1cnl 1
27 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
28 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
29 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
30 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
31 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
32 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
33 1 . . . . . 0 0.0 2.7 parsed_1cnl 1
34 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
35 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
36 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
37 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
38 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
39 1 . . . . . 0 0.0 2.7 parsed_1cnl 1
40 1 . . . . . 0 0.0 2.7 parsed_1cnl 1
41 1 . . . . . 0 0.0 6.0 parsed_1cnl 1
42 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
43 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
44 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
45 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
46 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
47 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
48 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
49 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
50 1 . . . . . 0 0.0 7.0 parsed_1cnl 1
51 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
52 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
53 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
54 1 . . . . . 0 0.0 2.7 parsed_1cnl 1
55 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
56 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
57 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
58 1 . . . . . 0 0.0 7.0 parsed_1cnl 1
59 1 . . . . . 0 0.0 6.0 parsed_1cnl 1
60 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
61 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
62 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
63 1 . . . . . 0 0.0 2.7 parsed_1cnl 1
64 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
65 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
66 1 . . . . . 0 0.0 6.5 parsed_1cnl 1
67 1 . . . . . 0 0.0 6.0 parsed_1cnl 1
68 1 . . . . . 0 0.0 6.0 parsed_1cnl 1
69 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
70 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
71 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
72 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
73 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
74 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
75 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
76 1 . . . . . 0 0.0 2.7 parsed_1cnl 1
77 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
78 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
79 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
80 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
81 1 . . . . . 0 0.0 6.5 parsed_1cnl 1
82 1 . . . . . 0 0.0 7.0 parsed_1cnl 1
83 1 . . . . . 0 0.0 6.5 parsed_1cnl 1
84 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
85 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
86 1 . . . . . 0 0.0 6.5 parsed_1cnl 1
87 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
88 1 . . . . . 0 0.0 4.0 parsed_1cnl 1
89 1 . . . . . 0 0.0 5.5 parsed_1cnl 1
90 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
91 1 . . . . . 0 0.0 6.0 parsed_1cnl 1
92 1 . . . . . 0 0.0 2.7 parsed_1cnl 1
93 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
94 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
95 1 . . . . . 0 0.0 6.0 parsed_1cnl 1
96 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
97 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
98 1 . . . . . 0 0.0 2.7 parsed_1cnl 1
99 1 . . . . . 0 0.0 2.7 parsed_1cnl 1
100 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
101 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
102 1 . . . . . 0 0.0 6.5 parsed_1cnl 1
103 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
104 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
105 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
106 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
107 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
108 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
109 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
110 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
111 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
112 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
113 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
114 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
115 1 . . . . . 0 0.0 5.0 parsed_1cnl 1
116 1 . . . . . 0 0.0 3.5 parsed_1cnl 1
117 1 . . . . . 0 0.0 5.0 parsed_1cnl 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
;
JOHN GEHRMANN
DISTANCE CONSTRAINTS
IMI PH 3.5, 12-11-97, 500MHZ DATA 280K FOR H2O - 200MS & 500MS NOESY
500MHZ DATA 278K FOR D2O - 300MS NOESY
RESIDUE 1 (GLY)
;
1 1 5 18 parsed_1cnl 1
2 "RESIDUE 2 (CYS)" 9 73 11 18 parsed_1cnl 1
3 "RESIDUE 3 (CYS)" 24 73 27 18 parsed_1cnl 1
4 ND 42 73 42 77 parsed_1cnl 1
5 ND 43 73 43 77 parsed_1cnl 1
6
;
ND
RESIDUE 4 (SER)
;
44 72 46 18 parsed_1cnl 1
7 DC 50 74 50 77 parsed_1cnl 1
8 DC 51 74 51 77 parsed_1cnl 1
9
;
ND
RESIDUE 5 (ASP)
;
52 74 53 18 parsed_1cnl 1
10 ND 61 73 61 76 parsed_1cnl 1
11 ND 62 73 62 76 parsed_1cnl 1
12
;
ND
RESIDUE 6 (PRO)
;
63 73 66 18 parsed_1cnl 1
13 "RESIDUE 7 (ARG)" 73 73 76 18 parsed_1cnl 1
14 "ASSIGN (RESID 7 AND NAME HE1 )(RESID 11 AND NAME HA ) 0 0 5.0 !" 82 73 83 75 parsed_1cnl 1
15 ND 84 73 84 76 parsed_1cnl 1
16 ND 85 73 85 76 parsed_1cnl 1
17
;
ND
RESIDUE 8 (CYS)
;
86 73 88 18 parsed_1cnl 1
18 ND 99 73 99 76 parsed_1cnl 1
19 ND 100 73 100 76 parsed_1cnl 1
20
;
ND
RESIDUE 9 (ALA)
;
101 73 102 18 parsed_1cnl 1
21 DC 104 73 104 76 parsed_1cnl 1
22 DC 105 73 105 76 parsed_1cnl 1
23 DC 110 73 110 76 parsed_1cnl 1
24 "RESIDUE 10 (TRP)" 114 73 116 19 parsed_1cnl 1
25 "DC M = 0.5" 119 73 119 84 parsed_1cnl 1
26 "DC W + 0.5" 120 73 120 84 parsed_1cnl 1
27 DC 125 73 125 76 parsed_1cnl 1
28 DC 129 73 129 76 parsed_1cnl 1
29 DC 130 73 130 76 parsed_1cnl 1
30 DC 131 73 131 76 parsed_1cnl 1
31 DC 132 73 132 76 parsed_1cnl 1
32 "DC W + 0.5 ND" 133 73 133 87 parsed_1cnl 1
33 DC 134 73 134 76 parsed_1cnl 1
34 DC 135 73 135 76 parsed_1cnl 1
35 DC 136 73 136 76 parsed_1cnl 1
36 DC 137 73 137 76 parsed_1cnl 1
37 ND 138 73 138 76 parsed_1cnl 1
38 ND 139 73 139 76 parsed_1cnl 1
39
;
ND
RESIDUE 11 (ARG)
;
140 73 142 19 parsed_1cnl 1
40
;
ND
RESIDUE 12 (CYS)
;
146 74 148 18 parsed_1cnl 1
41 DC 150 75 150 78 parsed_1cnl 1
42 DC 151 75 151 78 parsed_1cnl 1
43 DC 152 75 152 78 parsed_1cnl 1
44 DC 153 75 153 78 parsed_1cnl 1
45 DC 154 75 154 78 parsed_1cnl 1
stop_
save_
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