NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
589060 |
2n09   |
26536 | cing | 2-parsed | STAR | distance | NOE | simple | 46 |
data_2n09_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n09
_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_2n09 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n09
_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 2n09 "Master copy" parsed_2n09
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n09
_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 2n09.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n09 1
1 2n09.mr . . XPLOR/CNS 2 distance NOE simple 46 parsed_2n09 1
1 2n09.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_2n09 1
1 2n09.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n09 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n09
_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_2n09 1
2 1 . . . parsed_2n09 1
3 1 . . . parsed_2n09 1
4 1 . . . parsed_2n09 1
5 1 . . . parsed_2n09 1
6 1 . . . parsed_2n09 1
7 1 . . . parsed_2n09 1
8 1 . . . parsed_2n09 1
9 1 . . . parsed_2n09 1
10 1 . . . parsed_2n09 1
11 1 . . . parsed_2n09 1
12 1 . . . parsed_2n09 1
13 1 . . . parsed_2n09 1
14 1 . . . parsed_2n09 1
15 1 . . . parsed_2n09 1
16 1 . . . parsed_2n09 1
17 1 . . . parsed_2n09 1
18 1 . . . parsed_2n09 1
19 1 . . . parsed_2n09 1
20 1 . . . parsed_2n09 1
21 1 . . . parsed_2n09 1
22 1 . . . parsed_2n09 1
23 1 . . . parsed_2n09 1
24 1 . . . parsed_2n09 1
25 1 . . . parsed_2n09 1
26 1 . . . parsed_2n09 1
27 1 . . . parsed_2n09 1
28 1 . . . parsed_2n09 1
29 1 . . . parsed_2n09 1
30 1 . . . parsed_2n09 1
31 1 . . . parsed_2n09 1
32 1 . . . parsed_2n09 1
33 1 . . . parsed_2n09 1
34 1 . . . parsed_2n09 1
35 1 . . . parsed_2n09 1
36 1 . . . parsed_2n09 1
37 1 . . . parsed_2n09 1
38 1 . . . parsed_2n09 1
39 1 . . . parsed_2n09 1
40 1 . . . parsed_2n09 1
41 1 . . . parsed_2n09 1
42 1 . . . parsed_2n09 1
43 1 . . . parsed_2n09 1
44 1 . . . parsed_2n09 1
45 1 . . . parsed_2n09 1
46 1 . . . parsed_2n09 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 . HA parsed_2n09 1
1 1 2 . . . . . . . . . 2 . HN parsed_2n09 1
2 1 1 . . . . . . . . . 1 . HB2 parsed_2n09 1
2 1 2 . . . . . . . . . 2 . HN parsed_2n09 1
3 1 1 . . . . . . . . . 1 . HA parsed_2n09 1
3 1 2 . . . . . . . . . 2 . HD2 parsed_2n09 1
4 1 1 . . . . . . . . . 2 . HN parsed_2n09 1
4 1 2 . . . . . . . . . 3 . HN parsed_2n09 1
5 1 1 . . . . . . . . . 2 . HB* parsed_2n09 1
5 1 2 . . . . . . . . . 2 . HN parsed_2n09 1
6 1 1 . . . . . . . . . 2 . HB* parsed_2n09 1
6 1 2 . . . . . . . . . 3 . HN parsed_2n09 1
7 1 1 . . . . . . . . . 2 . HB* parsed_2n09 1
7 1 2 . . . . . . . . . 4 . HN parsed_2n09 1
8 1 1 . . . . . . . . . 3 . HA parsed_2n09 1
8 1 2 . . . . . . . . . 4 . HN parsed_2n09 1
9 1 1 . . . . . . . . . 3 . HA parsed_2n09 1
9 1 2 . . . . . . . . . 5 . HN parsed_2n09 1
10 1 1 . . . . . . . . . 3 . HB1 parsed_2n09 1
10 1 2 . . . . . . . . . 4 . HN parsed_2n09 1
11 1 1 . . . . . . . . . 3 . HB2 parsed_2n09 1
11 1 2 . . . . . . . . . 4 . HN parsed_2n09 1
12 1 1 . . . . . . . . . 3 . HG* parsed_2n09 1
12 1 2 . . . . . . . . . 4 . HN parsed_2n09 1
13 1 1 . . . . . . . . . 4 . HA1 parsed_2n09 1
13 1 2 . . . . . . . . . 5 . HN parsed_2n09 1
14 1 1 . . . . . . . . . 4 . HN parsed_2n09 1
14 1 2 . . . . . . . . . 5 . HN parsed_2n09 1
15 1 1 . . . . . . . . . 5 . HA parsed_2n09 1
15 1 2 . . . . . . . . . 6 . HN parsed_2n09 1
16 1 1 . . . . . . . . . 5 . HA parsed_2n09 1
16 1 2 . . . . . . . . . 7 . HN parsed_2n09 1
17 1 1 . . . . . . . . . 5 . HG2 parsed_2n09 1
17 1 2 . . . . . . . . . 7 . HN parsed_2n09 1
18 1 1 . . . . . . . . . 5 . HN parsed_2n09 1
18 1 2 . . . . . . . . . 6 . HN parsed_2n09 1
19 1 1 . . . . . . . . . 5 . HN parsed_2n09 1
19 1 2 . . . . . . . . . 7 . HN parsed_2n09 1
20 1 1 . . . . . . . . . 6 . HN parsed_2n09 1
20 1 2 . . . . . . . . . 6 . HB1 parsed_2n09 1
21 1 1 . . . . . . . . . 6 . HN parsed_2n09 1
21 1 2 . . . . . . . . . 6 . HB2 parsed_2n09 1
22 1 1 . . . . . . . . . 6 . HB1 parsed_2n09 1
22 1 2 . . . . . . . . . 7 . HN parsed_2n09 1
23 1 1 . . . . . . . . . 6 . HB2 parsed_2n09 1
23 1 2 . . . . . . . . . 7 . HN parsed_2n09 1
24 1 1 . . . . . . . . . 6 . HN parsed_2n09 1
24 1 2 . . . . . . . . . 5 . HD2 parsed_2n09 1
25 1 1 . . . . . . . . . 6 . HN parsed_2n09 1
25 1 2 . . . . . . . . . 7 . HN parsed_2n09 1
26 1 1 . . . . . . . . . 6 . HB1 parsed_2n09 1
26 1 2 . . . . . . . . . 7 . HG2 parsed_2n09 1
27 1 1 . . . . . . . . . 7 . HA parsed_2n09 1
27 1 2 . . . . . . . . . 11 . HD parsed_2n09 1
28 1 1 . . . . . . . . . 7 . HA parsed_2n09 1
28 1 2 . . . . . . . . . 10 . HD parsed_2n09 1
29 1 1 . . . . . . . . . 7 . HG2 parsed_2n09 1
29 1 2 . . . . . . . . . 8 . HN parsed_2n09 1
30 1 1 . . . . . . . . . 7 . HN parsed_2n09 1
30 1 2 . . . . . . . . . 8 . HN parsed_2n09 1
31 1 1 . . . . . . . . . 8 . HA parsed_2n09 1
31 1 2 . . . . . . . . . 9 . HN parsed_2n09 1
32 1 1 . . . . . . . . . 8 . HA parsed_2n09 1
32 1 2 . . . . . . . . . 10 . HN parsed_2n09 1
33 1 1 . . . . . . . . . 8 . HB* parsed_2n09 1
33 1 2 . . . . . . . . . 9 . HN parsed_2n09 1
34 1 1 . . . . . . . . . 8 . HN parsed_2n09 1
34 1 2 . . . . . . . . . 9 . HN parsed_2n09 1
35 1 1 . . . . . . . . . 9 . HA parsed_2n09 1
35 1 2 . . . . . . . . . 10 . HN parsed_2n09 1
36 1 1 . . . . . . . . . 9 . HN parsed_2n09 1
36 1 2 . . . . . . . . . 10 . HN parsed_2n09 1
37 1 1 . . . . . . . . . 10 . HA parsed_2n09 1
37 1 2 . . . . . . . . . 11 . HN parsed_2n09 1
38 1 1 . . . . . . . . . 10 . HA parsed_2n09 1
38 1 2 . . . . . . . . . 10 . HB2 parsed_2n09 1
39 1 1 . . . . . . . . . 10 . HA parsed_2n09 1
39 1 2 . . . . . . . . . 9 . HB* parsed_2n09 1
40 1 1 . . . . . . . . . 10 . HN parsed_2n09 1
40 1 2 . . . . . . . . . 11 . HN parsed_2n09 1
41 1 1 . . . . . . . . . 11 . HA parsed_2n09 1
41 1 2 . . . . . . . . . 11 . H1 parsed_2n09 1
42 1 1 . . . . . . . . . 11 . HA parsed_2n09 1
42 1 2 . . . . . . . . . 11 . H2 parsed_2n09 1
43 1 1 . . . . . . . . . 11 . HA parsed_2n09 1
43 1 2 . . . . . . . . . 11 . HB1 parsed_2n09 1
44 1 1 . . . . . . . . . 11 . HA parsed_2n09 1
44 1 2 . . . . . . . . . 11 . HB2 parsed_2n09 1
45 1 1 . . . . . . . . . 11 . HA parsed_2n09 1
45 1 2 . . . . . . . . . 11 . HD* parsed_2n09 1
46 1 1 . . . . . . . . . 11 . HB* parsed_2n09 1
46 1 2 . . . . . . . . . 11 . HD* parsed_2n09 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 0.0 2.7 parsed_2n09 1
2 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
3 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
4 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
5 1 . . . . . 0.0 0.0 4.5 parsed_2n09 1
6 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
7 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
8 1 . . . . . 0.0 0.0 3.5 parsed_2n09 1
9 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
10 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
11 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
12 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
13 1 . . . . . 0.0 0.0 3.5 parsed_2n09 1
14 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
15 1 . . . . . 0.0 0.0 2.7 parsed_2n09 1
16 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
17 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
18 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
19 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
20 1 . . . . . 0.0 0.0 2.7 parsed_2n09 1
21 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
22 1 . . . . . 0.0 0.0 3.5 parsed_2n09 1
23 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
24 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
25 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
26 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
27 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
28 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
29 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
30 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
31 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
32 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
33 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
34 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
35 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
36 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
37 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
38 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
39 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
40 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
41 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
42 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
43 1 . . . . . 0.0 0.0 5.0 parsed_2n09 1
44 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
45 1 . . . . . 0.0 0.0 6.0 parsed_2n09 1
46 1 . . . . . 0.0 0.0 5.0 parsed_2n09 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
;
DapARA-NH2 cyclic NOE Assignment Table (from visual inspection)
H A E G T F T S D F F NH2 7(S) 6-5(M) 4,3 (W) and 2,1 (vW)
H1
;
1 1 5 4 parsed_2n09 1
2 (7)s 6 74 6 80 parsed_2n09 1
3 (4)w 9 74 9 80 parsed_2n09 1
4
;
(4)w
A2
;
10 75 12 4 parsed_2n09 1
5 (2)vw 13 75 13 82 parsed_2n09 1
6 "(6)m + 1.0 corr" 15 75 15 92 parsed_2n09 1
7 "(4)w + 1.0 corr" 16 75 16 92 parsed_2n09 1
8
;
(5)w + 1.0 corr
E3
;
18 75 21 4 parsed_2n09 1
9 (8)m 22 76 22 82 parsed_2n09 1
10 "(3) w" 23 76 23 83 parsed_2n09 1
11 (2)vw 24 76 24 83 parsed_2n09 1
12 (2)vw 25 76 25 83 parsed_2n09 1
13
;
(2)vw
G4
;
26 76 29 4 parsed_2n09 1
14 (7)m 30 80 30 86 parsed_2n09 1
15
;
(3)w
T5
;
31 79 33 4 parsed_2n09 1
16 (7)s 34 79 34 85 parsed_2n09 1
17 (3)w 35 79 35 85 parsed_2n09 1
18 "(3)w + corr" 36 80 36 93 parsed_2n09 1
19 (3)w 37 79 37 85 parsed_2n09 1
20
;
(2)w
F6
;
38 79 40 4 parsed_2n09 1
21 (7)s 41 80 41 86 parsed_2n09 1
22 (4)w 42 80 42 86 parsed_2n09 1
23 (6)m 43 79 43 85 parsed_2n09 1
24 "(3 w" 44 79 44 85 parsed_2n09 1
25 (1)vw 45 80 45 87 parsed_2n09 1
26 (3)w 46 78 46 84 parsed_2n09 1
27
;
(1)vw
T7
;
47 80 49 4 parsed_2n09 1
28 (1)vw 50 80 50 87 parsed_2n09 1
29 (3)w 51 80 51 86 parsed_2n09 1
30 (2)vw 52 80 52 87 parsed_2n09 1
31
;
(3)w
S8
;
53 79 56 4 parsed_2n09 1
32 (2)vw 57 79 57 86 parsed_2n09 1
33 (2)vw 58 79 58 87 parsed_2n09 1
34 "(2 v w" 59 79 59 87 parsed_2n09 1
35
;
(4 w
D9
;
60 78 62 4 parsed_2n09 1
36 (3)w 63 79 63 85 parsed_2n09 1
37
;
(4)w
F10
;
64 79 68 5 parsed_2n09 1
38 (4)w 69 79 69 85 parsed_2n09 1
39 (3)w 70 80 70 86 parsed_2n09 1
40 (2)vw 71 79 71 86 parsed_2n09 1
41
;
(3)w
F11
;
72 79 75 5 parsed_2n09 1
42 (4)w 76 79 76 86 parsed_2n09 1
43 (3)w 77 79 77 85 parsed_2n09 1
44 (3)w 78 80 78 87 parsed_2n09 1
45 (2)vw 79 80 79 87 parsed_2n09 1
46 (4)w 80 80 80 86 parsed_2n09 1
47 (4)w 81 81 81 87 parsed_2n09 1
stop_
save_
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