NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
32455 |
1g2g   |
cing | 2-parsed | STAR | entry | full | 84 |
data_1g2g_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1g2g
_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_1g2g 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1g2g
_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 1g2g "Master copy" parsed_1g2g
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1g2g
_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 1g2g.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1g2g 1
1 1g2g.mr . . XPLOR/CNS 2 distance NOE simple 84 parsed_1g2g 1
1 1g2g.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1g2g 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_1g2g
_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 19-OCT-00 1G2G
*TITLE MINIMAL CONFORMATION OF THE ALPHA-CONOTOXIN IMI FOR THE
*TITLE 2 ALPHA7 NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR RECOGNITION
*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 SOLID PHASE SYNTHESIS OF ALPHA-
*SOURCE 4 CONOTOXIN IMI WAS CARRIED OUT USING THE F-MOC CHEMISTRY.
*SOURCE 5 THE SEQUENCE OF THE PROTEIN IS NATURALLY FOUND IN THE
*SOURCE 6 VENOM OF CONUS IMPERIALIS (IMPERIAL CONE).
*KEYWDS ALPHA-HELIX, 3-10 HELIX
*EXPDTA NMR, 30 STRUCTURES
*AUTHOR H.LAMTHANH, C.JEGOU-MATHERON, D.SERVENT, A.MENEZ,
*AUTHOR 2 J.M.LANCELIN
*REVDAT 1 08-NOV-00 1G2G 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1g2g
_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_1g2g 1
2 1 . . . parsed_1g2g 1
3 1 . . . parsed_1g2g 1
4 1 . . . parsed_1g2g 1
5 1 . . . parsed_1g2g 1
6 1 . . . parsed_1g2g 1
7 1 . . . parsed_1g2g 1
8 1 . . . parsed_1g2g 1
9 1 . . . parsed_1g2g 1
10 1 . . . parsed_1g2g 1
11 1 . . . parsed_1g2g 1
12 1 . . . parsed_1g2g 1
13 1 . . . parsed_1g2g 1
14 1 . . . parsed_1g2g 1
15 1 . . . parsed_1g2g 1
16 1 . . . parsed_1g2g 1
17 1 . . . parsed_1g2g 1
18 1 . . . parsed_1g2g 1
19 1 . . . parsed_1g2g 1
20 1 . . . parsed_1g2g 1
21 1 . . . parsed_1g2g 1
22 1 . . . parsed_1g2g 1
23 1 . . . parsed_1g2g 1
24 1 . . . parsed_1g2g 1
25 1 . . . parsed_1g2g 1
26 1 . . . parsed_1g2g 1
27 1 . . . parsed_1g2g 1
28 1 . . . parsed_1g2g 1
29 1 . . . parsed_1g2g 1
30 1 . . . parsed_1g2g 1
31 1 . . . parsed_1g2g 1
32 1 . . . parsed_1g2g 1
33 1 . . . parsed_1g2g 1
34 1 . . . parsed_1g2g 1
35 1 . . . parsed_1g2g 1
36 1 . . . parsed_1g2g 1
37 1 . . . parsed_1g2g 1
38 1 . . . parsed_1g2g 1
39 1 . . . parsed_1g2g 1
40 1 . . . parsed_1g2g 1
41 1 . . . parsed_1g2g 1
42 1 . . . parsed_1g2g 1
43 1 . . . parsed_1g2g 1
44 1 . . . parsed_1g2g 1
45 1 . . . parsed_1g2g 1
46 1 . . . parsed_1g2g 1
47 1 . . . parsed_1g2g 1
48 1 . . . parsed_1g2g 1
49 1 . . . parsed_1g2g 1
50 1 . . . parsed_1g2g 1
51 1 . . . parsed_1g2g 1
52 1 . . . parsed_1g2g 1
53 1 . . . parsed_1g2g 1
54 1 . . . parsed_1g2g 1
55 1 . . . parsed_1g2g 1
56 1 . . . parsed_1g2g 1
57 1 . . . parsed_1g2g 1
58 1 . . . parsed_1g2g 1
59 1 . . . parsed_1g2g 1
60 1 . . . parsed_1g2g 1
61 1 . . . parsed_1g2g 1
62 1 . . . parsed_1g2g 1
63 1 . . . parsed_1g2g 1
64 1 . . . parsed_1g2g 1
65 1 . . . parsed_1g2g 1
66 1 . . . parsed_1g2g 1
67 1 . . . parsed_1g2g 1
68 1 . . . parsed_1g2g 1
69 1 . . . parsed_1g2g 1
70 1 . . . parsed_1g2g 1
71 1 . . . parsed_1g2g 1
72 1 . . . parsed_1g2g 1
73 1 . . . parsed_1g2g 1
74 1 . . . parsed_1g2g 1
75 1 . . . parsed_1g2g 1
76 1 . . . parsed_1g2g 1
77 1 . . . parsed_1g2g 1
78 1 . . . parsed_1g2g 1
79 1 . . . parsed_1g2g 1
80 1 . . . parsed_1g2g 1
81 1 . . . parsed_1g2g 1
82 1 . . . parsed_1g2g 1
83 1 . . . parsed_1g2g 1
84 1 . . . parsed_1g2g 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_1g2g 1
1 1 2 . . . . . . . . . 2 . hn parsed_1g2g 1
2 1 1 . . . . . . . . . 1 . ha2 parsed_1g2g 1
2 1 2 . . . . . . . . . 2 . hn parsed_1g2g 1
3 1 1 . . . . . . . . . 1 . ha1 parsed_1g2g 1
3 1 2 . . . . . . . . . 3 . hn parsed_1g2g 1
4 1 1 . . . . . . . . . 1 . ha2 parsed_1g2g 1
4 1 2 . . . . . . . . . 3 . hn parsed_1g2g 1
5 1 1 . . . . . . . . . 2 . ha parsed_1g2g 1
5 1 2 . . . . . . . . . 3 . hn parsed_1g2g 1
6 1 1 . . . . . . . . . 2 . hn parsed_1g2g 1
6 1 2 . . . . . . . . . 3 . hn parsed_1g2g 1
7 1 1 . . . . . . . . . 2 . hb1 parsed_1g2g 1
7 1 2 . . . . . . . . . 3 . hn parsed_1g2g 1
8 1 1 . . . . . . . . . 2 . hb2 parsed_1g2g 1
8 1 2 . . . . . . . . . 3 . hn parsed_1g2g 1
9 1 1 . . . . . . . . . 2 . ha parsed_1g2g 1
9 1 2 . . . . . . . . . 5 . hb* parsed_1g2g 1
10 1 1 . . . . . . . . . 2 . ha parsed_1g2g 1
10 1 2 . . . . . . . . . 8 . hn parsed_1g2g 1
11 1 1 . . . . . . . . . 3 . hn parsed_1g2g 1
11 1 2 . . . . . . . . . 4 . hn parsed_1g2g 1
12 1 1 . . . . . . . . . 3 . ha parsed_1g2g 1
12 1 2 . . . . . . . . . 4 . hn parsed_1g2g 1
13 1 1 . . . . . . . . . 3 . hb1 parsed_1g2g 1
13 1 2 . . . . . . . . . 4 . hn parsed_1g2g 1
14 1 1 . . . . . . . . . 3 . hb2 parsed_1g2g 1
14 1 2 . . . . . . . . . 4 . hn parsed_1g2g 1
15 1 1 . . . . . . . . . 3 . hb1 parsed_1g2g 1
15 1 2 . . . . . . . . . 9 . ha parsed_1g2g 1
16 1 1 . . . . . . . . . 3 . hb2 parsed_1g2g 1
16 1 2 . . . . . . . . . 9 . ha parsed_1g2g 1
17 1 1 . . . . . . . . . 3 . ha parsed_1g2g 1
17 1 2 . . . . . . . . . 9 . ha parsed_1g2g 1
18 1 1 . . . . . . . . . 3 . hn parsed_1g2g 1
18 1 2 . . . . . . . . . 9 . ha parsed_1g2g 1
19 1 1 . . . . . . . . . 3 . hn parsed_1g2g 1
19 1 2 . . . . . . . . . 9 . hb* parsed_1g2g 1
20 1 1 . . . . . . . . . 5 . ha parsed_1g2g 1
20 1 2 . . . . . . . . . 6 . hd* parsed_1g2g 1
21 1 1 . . . . . . . . . 5 . ha parsed_1g2g 1
21 1 2 . . . . . . . . . 6 . hg* parsed_1g2g 1
22 1 1 . . . . . . . . . 5 . hb1 parsed_1g2g 1
22 1 2 . . . . . . . . . 6 . hd* parsed_1g2g 1
23 1 1 . . . . . . . . . 5 . hb2 parsed_1g2g 1
23 1 2 . . . . . . . . . 6 . hd* parsed_1g2g 1
24 1 1 . . . . . . . . . 5 . ha parsed_1g2g 1
24 1 2 . . . . . . . . . 7 . hn parsed_1g2g 1
25 1 1 . . . . . . . . . 5 . hb2 parsed_1g2g 1
25 1 2 . . . . . . . . . 7 . hn parsed_1g2g 1
26 1 1 . . . . . . . . . 5 . hb1 parsed_1g2g 1
26 1 2 . . . . . . . . . 7 . hn parsed_1g2g 1
27 1 1 . . . . . . . . . 5 . hb1 parsed_1g2g 1
27 1 2 . . . . . . . . . 8 . hn parsed_1g2g 1
28 1 1 . . . . . . . . . 5 . hb2 parsed_1g2g 1
28 1 2 . . . . . . . . . 8 . hn parsed_1g2g 1
29 1 1 . . . . . . . . . 5 . ha parsed_1g2g 1
29 1 2 . . . . . . . . . 8 . hn parsed_1g2g 1
30 1 1 . . . . . . . . . 5 . hb1 parsed_1g2g 1
30 1 2 . . . . . . . . . 8 . hb* parsed_1g2g 1
31 1 1 . . . . . . . . . 5 . hb2 parsed_1g2g 1
31 1 2 . . . . . . . . . 8 . hb* parsed_1g2g 1
32 1 1 . . . . . . . . . 5 . hb1 parsed_1g2g 1
32 1 2 . . . . . . . . . 9 . hn parsed_1g2g 1
33 1 1 . . . . . . . . . 5 . hb2 parsed_1g2g 1
33 1 2 . . . . . . . . . 9 . hn parsed_1g2g 1
34 1 1 . . . . . . . . . 6 . hd* parsed_1g2g 1
34 1 2 . . . . . . . . . 7 . hg* parsed_1g2g 1
35 1 1 . . . . . . . . . 6 . hd* parsed_1g2g 1
35 1 2 . . . . . . . . . 7 . hn parsed_1g2g 1
36 1 1 . . . . . . . . . 6 . hd* parsed_1g2g 1
36 1 2 . . . . . . . . . 7 . hb* parsed_1g2g 1
37 1 1 . . . . . . . . . 6 . hg* parsed_1g2g 1
37 1 2 . . . . . . . . . 7 . hn parsed_1g2g 1
38 1 1 . . . . . . . . . 6 . hb1 parsed_1g2g 1
38 1 2 . . . . . . . . . 7 . hn parsed_1g2g 1
39 1 1 . . . . . . . . . 6 . hb2 parsed_1g2g 1
39 1 2 . . . . . . . . . 7 . hn parsed_1g2g 1
40 1 1 . . . . . . . . . 6 . ha parsed_1g2g 1
40 1 2 . . . . . . . . . 9 . hb* parsed_1g2g 1
41 1 1 . . . . . . . . . 6 . hg* parsed_1g2g 1
41 1 2 . . . . . . . . . 8 . hn parsed_1g2g 1
42 1 1 . . . . . . . . . 6 . hb1 parsed_1g2g 1
42 1 2 . . . . . . . . . 8 . hn parsed_1g2g 1
43 1 1 . . . . . . . . . 6 . hb2 parsed_1g2g 1
43 1 2 . . . . . . . . . 8 . hn parsed_1g2g 1
44 1 1 . . . . . . . . . 7 . ha parsed_1g2g 1
44 1 2 . . . . . . . . . 8 . hn parsed_1g2g 1
45 1 1 . . . . . . . . . 7 . hb1 parsed_1g2g 1
45 1 2 . . . . . . . . . 8 . hn parsed_1g2g 1
46 1 1 . . . . . . . . . 7 . hb2 parsed_1g2g 1
46 1 2 . . . . . . . . . 8 . hn parsed_1g2g 1
47 1 1 . . . . . . . . . 7 . hg* parsed_1g2g 1
47 1 2 . . . . . . . . . 8 . hn parsed_1g2g 1
48 1 1 . . . . . . . . . 7 . hn parsed_1g2g 1
48 1 2 . . . . . . . . . 8 . hn parsed_1g2g 1
49 1 1 . . . . . . . . . 7 . he parsed_1g2g 1
49 1 2 . . . . . . . . . 8 . hn parsed_1g2g 1
50 1 1 . . . . . . . . . 7 . hn parsed_1g2g 1
50 1 2 . . . . . . . . . 8 . hb1 parsed_1g2g 1
51 1 1 . . . . . . . . . 7 . hn parsed_1g2g 1
51 1 2 . . . . . . . . . 8 . hb2 parsed_1g2g 1
52 1 1 . . . . . . . . . 7 . ha parsed_1g2g 1
52 1 2 . . . . . . . . . 10 . hd1 parsed_1g2g 1
53 1 1 . . . . . . . . . 8 . ha parsed_1g2g 1
53 1 2 . . . . . . . . . 9 . hn parsed_1g2g 1
54 1 1 . . . . . . . . . 8 . hn parsed_1g2g 1
54 1 2 . . . . . . . . . 9 . hn parsed_1g2g 1
55 1 1 . . . . . . . . . 8 . hn parsed_1g2g 1
55 1 2 . . . . . . . . . 9 . ha parsed_1g2g 1
56 1 1 . . . . . . . . . 8 . hn parsed_1g2g 1
56 1 2 . . . . . . . . . 9 . hb* parsed_1g2g 1
57 1 1 . . . . . . . . . 8 . hb1 parsed_1g2g 1
57 1 2 . . . . . . . . . 9 . hn parsed_1g2g 1
58 1 1 . . . . . . . . . 8 . hb2 parsed_1g2g 1
58 1 2 . . . . . . . . . 9 . hn parsed_1g2g 1
59 1 1 . . . . . . . . . 9 . ha parsed_1g2g 1
59 1 2 . . . . . . . . . 10 . hn parsed_1g2g 1
60 1 1 . . . . . . . . . 9 . hn parsed_1g2g 1
60 1 2 . . . . . . . . . 10 . hn parsed_1g2g 1
61 1 1 . . . . . . . . . 9 . hb* parsed_1g2g 1
61 1 2 . . . . . . . . . 10 . hn parsed_1g2g 1
62 1 1 . . . . . . . . . 9 . hb* parsed_1g2g 1
62 1 2 . . . . . . . . . 10 . hd1 parsed_1g2g 1
63 1 1 . . . . . . . . . 9 . ha parsed_1g2g 1
63 1 2 . . . . . . . . . 10 . hd1 parsed_1g2g 1
64 1 1 . . . . . . . . . 9 . ha parsed_1g2g 1
64 1 2 . . . . . . . . . 11 . hn parsed_1g2g 1
65 1 1 . . . . . . . . . 9 . hb* parsed_1g2g 1
65 1 2 . . . . . . . . . 11 . hn parsed_1g2g 1
66 1 1 . . . . . . . . . 10 . hb* parsed_1g2g 1
66 1 2 . . . . . . . . . 10 . hd1 parsed_1g2g 1
67 1 1 . . . . . . . . . 10 . hb* parsed_1g2g 1
67 1 2 . . . . . . . . . 10 . he3 parsed_1g2g 1
68 1 1 . . . . . . . . . 10 . ha parsed_1g2g 1
68 1 2 . . . . . . . . . 10 . he3 parsed_1g2g 1
69 1 1 . . . . . . . . . 10 . ha parsed_1g2g 1
69 1 2 . . . . . . . . . 10 . hd1 parsed_1g2g 1
70 1 1 . . . . . . . . . 10 . hb* parsed_1g2g 1
70 1 2 . . . . . . . . . 10 . hz3 parsed_1g2g 1
71 1 1 . . . . . . . . . 10 . hn parsed_1g2g 1
71 1 2 . . . . . . . . . 11 . hn parsed_1g2g 1
72 1 1 . . . . . . . . . 10 . ha parsed_1g2g 1
72 1 2 . . . . . . . . . 11 . hn parsed_1g2g 1
73 1 1 . . . . . . . . . 10 . hb1 parsed_1g2g 1
73 1 2 . . . . . . . . . 11 . hn parsed_1g2g 1
74 1 1 . . . . . . . . . 10 . hb2 parsed_1g2g 1
74 1 2 . . . . . . . . . 11 . hn parsed_1g2g 1
75 1 1 . . . . . . . . . 10 . hd1 parsed_1g2g 1
75 1 2 . . . . . . . . . 11 . ha parsed_1g2g 1
76 1 1 . . . . . . . . . 10 . hd1 parsed_1g2g 1
76 1 2 . . . . . . . . . 11 . hb* parsed_1g2g 1
77 1 1 . . . . . . . . . 10 . hz2 parsed_1g2g 1
77 1 2 . . . . . . . . . 11 . hb* parsed_1g2g 1
78 1 1 . . . . . . . . . 10 . hd1 parsed_1g2g 1
78 1 2 . . . . . . . . . 11 . hg* parsed_1g2g 1
79 1 1 . . . . . . . . . 10 . hz2 parsed_1g2g 1
79 1 2 . . . . . . . . . 11 . hg* parsed_1g2g 1
80 1 1 . . . . . . . . . 11 . hn parsed_1g2g 1
80 1 2 . . . . . . . . . 12 . hn parsed_1g2g 1
81 1 1 . . . . . . . . . 11 . ha parsed_1g2g 1
81 1 2 . . . . . . . . . 12 . hn parsed_1g2g 1
82 1 1 . . . . . . . . . 11 . hb* parsed_1g2g 1
82 1 2 . . . . . . . . . 12 . hn parsed_1g2g 1
83 1 1 . . . . . . . . . 11 . hg* parsed_1g2g 1
83 1 2 . . . . . . . . . 12 . hn parsed_1g2g 1
84 1 1 . . . . . . . . . 11 . hn parsed_1g2g 1
84 1 2 . . . . . . . . . 12 . ha parsed_1g2g 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.9 1.8 5.0 parsed_1g2g 1
2 1 . . . . . 2.9 1.8 5.0 parsed_1g2g 1
3 1 . . . . . 2.9 1.8 5.0 parsed_1g2g 1
4 1 . . . . . 2.9 1.8 5.0 parsed_1g2g 1
5 1 . . . . . 2.4 1.8 3.6 parsed_1g2g 1
6 1 . . . . . 3.5 1.8 6.3 parsed_1g2g 1
7 1 . . . . . 2.4 1.8 3.5 parsed_1g2g 1
8 1 . . . . . 2.4 1.8 3.5 parsed_1g2g 1
9 1 . . . . . 2.9 1.8 6.0 parsed_1g2g 1
10 1 . . . . . 3.5 1.8 6.3 parsed_1g2g 1
11 1 . . . . . 2.4 1.8 3.6 parsed_1g2g 1
12 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
13 1 . . . . . 2.9 1.8 5.0 parsed_1g2g 1
14 1 . . . . . 2.9 1.8 5.0 parsed_1g2g 1
15 1 . . . . . 3.5 1.8 6.0 parsed_1g2g 1
16 1 . . . . . 3.5 1.8 6.0 parsed_1g2g 1
17 1 . . . . . 2.1 1.8 2.7 parsed_1g2g 1
18 1 . . . . . 3.5 1.8 6.3 parsed_1g2g 1
19 1 . . . . . 3.5 1.8 7.3 parsed_1g2g 1
20 1 . . . . . 2.1 1.8 3.7 parsed_1g2g 1
21 1 . . . . . 2.9 1.8 6.0 parsed_1g2g 1
22 1 . . . . . 3.5 1.8 7.0 parsed_1g2g 1
23 1 . . . . . 2.4 1.8 4.3 parsed_1g2g 1
24 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
25 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
26 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
27 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
28 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
29 1 . . . . . 3.5 1.8 6.3 parsed_1g2g 1
30 1 . . . . . 3.5 1.8 6.0 parsed_1g2g 1
31 1 . . . . . 3.5 1.8 6.0 parsed_1g2g 1
32 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
33 1 . . . . . 3.5 1.8 6.3 parsed_1g2g 1
34 1 . . . . . 3.5 1.8 8.0 parsed_1g2g 1
35 1 . . . . . 2.4 1.8 4.6 parsed_1g2g 1
36 1 . . . . . 3.5 1.8 8.0 parsed_1g2g 1
37 1 . . . . . 3.5 1.8 7.3 parsed_1g2g 1
38 1 . . . . . 2.9 1.8 5.0 parsed_1g2g 1
39 1 . . . . . 2.9 1.8 5.0 parsed_1g2g 1
40 1 . . . . . 2.4 1.8 4.3 parsed_1g2g 1
41 1 . . . . . 3.5 1.8 7.3 parsed_1g2g 1
42 1 . . . . . 3.5 1.8 6.3 parsed_1g2g 1
43 1 . . . . . 3.5 1.8 6.3 parsed_1g2g 1
44 1 . . . . . 2.4 1.8 3.6 parsed_1g2g 1
45 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
46 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
47 1 . . . . . 2.9 1.8 6.3 parsed_1g2g 1
48 1 . . . . . 2.1 1.8 3.0 parsed_1g2g 1
49 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
50 1 . . . . . 2.9 1.8 5.0 parsed_1g2g 1
51 1 . . . . . 2.9 1.8 5.0 parsed_1g2g 1
52 1 . . . . . 2.9 1.8 5.0 parsed_1g2g 1
53 1 . . . . . 2.4 1.8 3.6 parsed_1g2g 1
54 1 . . . . . 2.4 1.8 3.6 parsed_1g2g 1
55 1 . . . . . 3.5 1.8 6.3 parsed_1g2g 1
56 1 . . . . . 2.9 1.8 6.3 parsed_1g2g 1
57 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
58 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
59 1 . . . . . 2.4 1.8 3.6 parsed_1g2g 1
60 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
61 1 . . . . . 2.4 1.8 4.6 parsed_1g2g 1
62 1 . . . . . 3.5 1.8 7.0 parsed_1g2g 1
63 1 . . . . . 3.5 1.8 6.0 parsed_1g2g 1
64 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
65 1 . . . . . 3.5 1.8 7.3 parsed_1g2g 1
66 1 . . . . . 2.1 1.8 3.7 parsed_1g2g 1
67 1 . . . . . 2.1 1.8 3.7 parsed_1g2g 1
68 1 . . . . . 2.9 1.8 5.0 parsed_1g2g 1
69 1 . . . . . 2.9 1.8 5.0 parsed_1g2g 1
70 1 . . . . . 3.5 1.8 7.0 parsed_1g2g 1
71 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
72 1 . . . . . 2.4 1.8 3.6 parsed_1g2g 1
73 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
74 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
75 1 . . . . . 3.5 1.8 6.0 parsed_1g2g 1
76 1 . . . . . 3.5 1.8 7.0 parsed_1g2g 1
77 1 . . . . . 3.5 1.8 7.0 parsed_1g2g 1
78 1 . . . . . 3.5 1.8 7.0 parsed_1g2g 1
79 1 . . . . . 3.5 1.8 7.0 parsed_1g2g 1
80 1 . . . . . 2.9 1.8 5.3 parsed_1g2g 1
81 1 . . . . . 2.4 1.8 3.6 parsed_1g2g 1
82 1 . . . . . 2.4 1.8 4.6 parsed_1g2g 1
83 1 . . . . . 3.5 1.8 7.3 parsed_1g2g 1
84 1 . . . . . 3.5 1.8 6.3 parsed_1g2g 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
;
NOE restraints for aImI
data from noesy spectrum 150 ms mixing time at 278 K
r0 dlow dhigh for N-H
2.1 0.3 0.9 1.8 - 3.0 noe fort
2.4 0.6 1.2 1.8 - 3.6 noe moyen
2.9 1.1 2.4 1.8 - 5.3 noe faible
3.5 1.7 2.8 1.8 - 6.3 noe tres faible
r0 dlow dhigh for C-H
2.1 0.3 0.6 1.8 - 2.7 noe fort
2.4 0.6 0.9 1.8 - 3.3 noe moyen
2.9 1.1 2.1 1.8 - 5.0 noe faible
3.5 1.7 2.5 1.8 - 6.0 noe tres faible
1.0 added for noe involving CH3 - 2.0 added for two noe involving CH3
1.0 added for noe involving CH2
2.0 added for noe involving aromatics H
nombre de NOE = nombre de lignes - 342
NOE restraints for Gly 1
;
1 1 18 35 parsed_1g2g 1
2
;
medium (i+2 to i+4) NOE restraints
NOE restraints for Cys 2
sequential (i,i+1) NOE restraints
;
23 1 26 45 parsed_1g2g 1
3 "medium (i+2 to i+4) NOE restraints" 31 1 31 45 parsed_1g2g 1
4 "long (> i+4) NOE restraints" 33 1 33 45 parsed_1g2g 1
5
;
NOE restraints for Cys3
sequential (i,i+1) NOE restraints
;
38 1 39 45 parsed_1g2g 1
6
;
medium (i+2 to i+4) NOE restraints
long (> i+4) NOE restraints
;
44 1 45 45 parsed_1g2g 1
7
;
NOE restraints for Ser 4
sequential (i,i+1) NOE restraints
medium (i+2 to i+4) NOE restraints
long (> i+4) NOE restraints
NOE restraints for Asp 5
sequential (i,i+1) NOE restraints
;
53 1 59 45 parsed_1g2g 1
8 "medium (i+2 to i+4) NOE restraints" 64 1 64 45 parsed_1g2g 1
9
;
long (> i+4) NOE restraints
NOE restraints for Pro 6
sequential (i,i+1) NOE restraints
;
75 1 78 45 parsed_1g2g 1
10 "medium (i+2 to i+4) NOE restraints" 85 1 85 45 parsed_1g2g 1
11
;
long (> i+4) NOE restraints
NOE restraints for Arg 7
sequential (i,i+1) NOE restraints
;
90 1 93 45 parsed_1g2g 1
12 "medium (i+2 to i+4) NOE restraints" 102 1 102 45 parsed_1g2g 1
13
;
long (> i+4) NOE restraints
NOE restraints for Cys 8
sequential (i,i+1) NOE restraints
;
104 1 107 45 parsed_1g2g 1
14
;
medium (i+2 to i+4) NOE restraints
long (> i+4) NOE restraints
NOE restraints for Ala 9
sequential (i,i+1) NOE restraints
;
114 1 118 45 parsed_1g2g 1
15 "medium (i+2 to i+4) NOE restraints" 124 1 124 45 parsed_1g2g 1
16
;
long (> i+4) NOE restraints
NOE restraints for Try 10
intra-residu
;
127 1 131 21 parsed_1g2g 1
17 "sequential (i,i+1) NOE restraints" 137 1 137 45 parsed_1g2g 1
18
;
medium (i+2 to i+4) NOE restraints
long (> i+4) NOE restraints
NOE restraints for Arg 11
sequential (i,i+1) NOE restraints
;
147 1 151 46 parsed_1g2g 1
19
;
medium (i+2 to i+4) NOE restraints
long (> i+4) NOE restraints
NOE restraints for CYS 12
sequential (i,i+1) NOE restraints
medium (i+2 to i+4) NOE restraints
long (> i+4) NOE restraints
;
157 1 163 45 parsed_1g2g 1
stop_
save_
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