NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
648763 |
6yfy   |
50202 | cing | 2-parsed | STAR | distance | NOE | ambi | 40 |
data_6yfy_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6yfy
_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_6yfy 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6yfy
_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 6yfy "Master copy" parsed_6yfy
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6yfy
_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 6yfy.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6yfy 1
1 6yfy.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_6yfy 1
1 6yfy.mr . . XPLOR/CNS 3 distance NOE ambi 40 parsed_6yfy 1
1 6yfy.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_6yfy 1
1 6yfy.mr . . XPLOR/CNS 5 distance "general distance" ambi 0 parsed_6yfy 1
1 6yfy.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_6yfy 1
1 6yfy.mr . . XPLOR/CNS 7 distance "general distance" ambi 0 parsed_6yfy 1
1 6yfy.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6yfy 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6yfy
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_6yfy 1
2 1 . . . parsed_6yfy 1
3 1 . . . parsed_6yfy 1
4 1 . . . parsed_6yfy 1
5 1 . . . parsed_6yfy 1
6 1 . . . parsed_6yfy 1
7 1 . . . parsed_6yfy 1
8 1 . . . parsed_6yfy 1
9 1 . . . parsed_6yfy 1
10 1 . . . parsed_6yfy 1
11 1 . . . parsed_6yfy 1
12 1 . . . parsed_6yfy 1
13 1 . . . parsed_6yfy 1
14 1 . . . parsed_6yfy 1
15 1 . . . parsed_6yfy 1
16 1 . . . parsed_6yfy 1
17 1 . . . parsed_6yfy 1
18 1 . . . parsed_6yfy 1
19 1 2 . OR parsed_6yfy 1
19 2 . 3 . parsed_6yfy 1
19 3 . . . parsed_6yfy 1
20 1 2 . OR parsed_6yfy 1
20 2 . 3 . parsed_6yfy 1
20 3 . . . parsed_6yfy 1
21 1 . . . parsed_6yfy 1
22 1 . . . parsed_6yfy 1
23 1 . . . parsed_6yfy 1
24 1 . . . parsed_6yfy 1
25 1 . . . parsed_6yfy 1
26 1 2 . OR parsed_6yfy 1
26 2 . 3 . parsed_6yfy 1
26 3 . . . parsed_6yfy 1
27 1 2 . OR parsed_6yfy 1
27 2 . 3 . parsed_6yfy 1
27 3 . . . parsed_6yfy 1
28 1 . . . parsed_6yfy 1
29 1 . . . parsed_6yfy 1
30 1 . . . parsed_6yfy 1
31 1 . . . parsed_6yfy 1
32 1 . . . parsed_6yfy 1
33 1 2 . OR parsed_6yfy 1
33 2 . 3 . parsed_6yfy 1
33 3 . . . parsed_6yfy 1
34 1 2 . OR parsed_6yfy 1
34 2 . 3 . parsed_6yfy 1
34 3 . . . parsed_6yfy 1
35 1 2 . OR parsed_6yfy 1
35 2 . 3 . parsed_6yfy 1
35 3 . . . parsed_6yfy 1
36 1 2 . OR parsed_6yfy 1
36 2 . 3 . parsed_6yfy 1
36 3 . . . parsed_6yfy 1
37 1 2 . OR parsed_6yfy 1
37 2 . 3 . parsed_6yfy 1
37 3 . . . parsed_6yfy 1
38 1 2 . OR parsed_6yfy 1
38 2 . 3 . parsed_6yfy 1
38 3 . . . parsed_6yfy 1
39 1 2 . OR parsed_6yfy 1
39 2 . 3 . parsed_6yfy 1
39 3 . . . parsed_6yfy 1
40 1 2 . OR parsed_6yfy 1
40 2 . 3 . parsed_6yfy 1
40 3 . . . parsed_6yfy 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 . . . . . . . . A 2 . CA parsed_6yfy 1
1 1 2 . . . . . . . . B 6 . CB parsed_6yfy 1
2 1 1 . . . . . . . . A 2 . CA parsed_6yfy 1
2 1 2 . . . . . . . . B 7 . CB parsed_6yfy 1
3 1 1 . . . . . . . . A 2 . CA parsed_6yfy 1
3 1 2 . . . . . . . . B 7 . CA parsed_6yfy 1
4 1 1 . . . . . . . . A 2 . CB parsed_6yfy 1
4 1 2 . . . . . . . . B 7 . CA parsed_6yfy 1
5 1 1 . . . . . . . . A 3 . CB parsed_6yfy 1
5 1 2 . . . . . . . . B 6 . CB parsed_6yfy 1
6 1 1 . . . . . . . . A 3 . CB parsed_6yfy 1
6 1 2 . . . . . . . . B 7 . CB parsed_6yfy 1
7 1 1 . . . . . . . . A 3 . CB parsed_6yfy 1
7 1 2 . . . . . . . . B 7 . CA parsed_6yfy 1
8 1 1 . . . . . . . . A 2 . CG2 parsed_6yfy 1
8 1 2 . . . . . . . . B 7 . CB parsed_6yfy 1
9 1 1 . . . . . . . . A 2 . CG2 parsed_6yfy 1
9 1 2 . . . . . . . . B 6 . CA parsed_6yfy 1
10 1 1 . . . . . . . . B 2 . CA parsed_6yfy 1
10 1 2 . . . . . . . . A 6 . CB parsed_6yfy 1
11 1 1 . . . . . . . . B 2 . CA parsed_6yfy 1
11 1 2 . . . . . . . . A 7 . CB parsed_6yfy 1
12 1 1 . . . . . . . . B 2 . CA parsed_6yfy 1
12 1 2 . . . . . . . . A 7 . CA parsed_6yfy 1
13 1 1 . . . . . . . . B 2 . CB parsed_6yfy 1
13 1 2 . . . . . . . . A 7 . CA parsed_6yfy 1
14 1 1 . . . . . . . . B 3 . CB parsed_6yfy 1
14 1 2 . . . . . . . . A 6 . CB parsed_6yfy 1
15 1 1 . . . . . . . . B 3 . CB parsed_6yfy 1
15 1 2 . . . . . . . . A 7 . CB parsed_6yfy 1
16 1 1 . . . . . . . . B 3 . CB parsed_6yfy 1
16 1 2 . . . . . . . . A 7 . CA parsed_6yfy 1
17 1 1 . . . . . . . . B 2 . CG2 parsed_6yfy 1
17 1 2 . . . . . . . . A 7 . CB parsed_6yfy 1
18 1 1 . . . . . . . . B 2 . CG2 parsed_6yfy 1
18 1 2 . . . . . . . . A 6 . CA parsed_6yfy 1
19 2 1 . . . . . . . . A 7 . CB parsed_6yfy 1
19 2 2 . . . . . . . . A 9 . CA parsed_6yfy 1
19 3 1 . . . . . . . . A 7 . CB parsed_6yfy 1
19 3 2 . . . . . . . . A 10 . CA parsed_6yfy 1
20 2 1 . . . . . . . . A 7 . CA parsed_6yfy 1
20 2 2 . . . . . . . . A 9 . CA parsed_6yfy 1
20 3 1 . . . . . . . . A 7 . CA parsed_6yfy 1
20 3 2 . . . . . . . . A 10 . CA parsed_6yfy 1
21 1 1 . . . . . . . . A 7 . CA parsed_6yfy 1
21 1 2 . . . . . . . . A 9 . CA parsed_6yfy 1
22 1 1 . . . . . . . . A 7 . CA parsed_6yfy 1
22 1 2 . . . . . . . . A 10 . CD1 parsed_6yfy 1
23 1 1 . . . . . . . . A 7 . CB parsed_6yfy 1
23 1 2 . . . . . . . . A 10 . CD1 parsed_6yfy 1
24 1 1 . . . . . . . . A 7 . CA parsed_6yfy 1
24 1 2 . . . . . . . . A 10 . CD2 parsed_6yfy 1
25 1 1 . . . . . . . . A 7 . CB parsed_6yfy 1
25 1 2 . . . . . . . . A 10 . CD2 parsed_6yfy 1
26 2 1 . . . . . . . . B 7 . CB parsed_6yfy 1
26 2 2 . . . . . . . . B 9 . CA parsed_6yfy 1
26 3 1 . . . . . . . . B 7 . CB parsed_6yfy 1
26 3 2 . . . . . . . . B 10 . CA parsed_6yfy 1
27 2 1 . . . . . . . . B 7 . CA parsed_6yfy 1
27 2 2 . . . . . . . . B 9 . CA parsed_6yfy 1
27 3 1 . . . . . . . . A 7 . CA parsed_6yfy 1
27 3 2 . . . . . . . . B 10 . CA parsed_6yfy 1
28 1 1 . . . . . . . . B 7 . CA parsed_6yfy 1
28 1 2 . . . . . . . . B 9 . CA parsed_6yfy 1
29 1 1 . . . . . . . . B 7 . CA parsed_6yfy 1
29 1 2 . . . . . . . . B 10 . CD1 parsed_6yfy 1
30 1 1 . . . . . . . . B 7 . CB parsed_6yfy 1
30 1 2 . . . . . . . . B 10 . CD1 parsed_6yfy 1
31 1 1 . . . . . . . . B 7 . CA parsed_6yfy 1
31 1 2 . . . . . . . . B 10 . CD2 parsed_6yfy 1
32 1 1 . . . . . . . . B 7 . CB parsed_6yfy 1
32 1 2 . . . . . . . . B 10 . CD2 parsed_6yfy 1
33 2 1 . . . . . . . . A 2 . C parsed_6yfy 1
33 2 2 . . . . . . . . B 7 . CB parsed_6yfy 1
33 3 1 . . . . . . . . A 3 . C parsed_6yfy 1
33 3 2 . . . . . . . . B 7 . CB parsed_6yfy 1
34 2 1 . . . . . . . . B 2 . C parsed_6yfy 1
34 2 2 . . . . . . . . A 7 . CB parsed_6yfy 1
34 3 1 . . . . . . . . B 3 . C parsed_6yfy 1
34 3 2 . . . . . . . . A 7 . CB parsed_6yfy 1
35 2 1 . . . . . . . . A 2 . CA parsed_6yfy 1
35 2 2 . . . . . . . . B 6 . C parsed_6yfy 1
35 3 1 . . . . . . . . A 2 . CA parsed_6yfy 1
35 3 2 . . . . . . . . B 10 . C parsed_6yfy 1
36 2 1 . . . . . . . . B 2 . CA parsed_6yfy 1
36 2 2 . . . . . . . . A 6 . C parsed_6yfy 1
36 3 1 . . . . . . . . B 2 . CA parsed_6yfy 1
36 3 2 . . . . . . . . A 10 . C parsed_6yfy 1
37 2 1 . . . . . . . . A 2 . C parsed_6yfy 1
37 2 2 . . . . . . . . B 6 . CD1 parsed_6yfy 1
37 3 1 . . . . . . . . A 3 . C parsed_6yfy 1
37 3 2 . . . . . . . . B 6 . CD1 parsed_6yfy 1
38 2 1 . . . . . . . . B 2 . C parsed_6yfy 1
38 2 2 . . . . . . . . A 6 . CD1 parsed_6yfy 1
38 3 1 . . . . . . . . B 3 . C parsed_6yfy 1
38 3 2 . . . . . . . . A 6 . CD1 parsed_6yfy 1
39 2 1 . . . . . . . . A 2 . C parsed_6yfy 1
39 2 2 . . . . . . . . B 6 . CB parsed_6yfy 1
39 3 1 . . . . . . . . A 3 . C parsed_6yfy 1
39 3 2 . . . . . . . . B 6 . CB parsed_6yfy 1
40 2 1 . . . . . . . . B 2 . C parsed_6yfy 1
40 2 2 . . . . . . . . A 6 . CB parsed_6yfy 1
40 3 1 . . . . . . . . B 3 . C parsed_6yfy 1
40 3 2 . . . . . . . . A 6 . CB parsed_6yfy 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 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
2 1 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
3 1 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
4 1 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
5 1 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
6 1 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
7 1 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
8 1 . . . . . 6.0 3.0 8.5 parsed_6yfy 1
9 1 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
10 1 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
11 1 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
12 1 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
13 1 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
14 1 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
15 1 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
16 1 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
17 1 . . . . . 6.0 3.0 8.5 parsed_6yfy 1
18 1 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
19 2 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
19 3 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
20 2 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
20 3 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
21 1 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
22 1 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
23 1 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
24 1 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
25 1 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
26 2 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
26 3 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
27 2 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
27 3 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
28 1 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
29 1 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
30 1 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
31 1 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
32 1 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
33 2 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
33 3 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
34 2 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
34 3 . . . . . 5.0 2.0 7.0 parsed_6yfy 1
35 2 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
35 3 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
36 2 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
36 3 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
37 2 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
37 3 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
38 2 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
38 3 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
39 2 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
39 3 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
40 2 . . . . . 6.0 3.0 8.0 parsed_6yfy 1
40 3 . . . . . 6.0 3.0 8.0 parsed_6yfy 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
;
>>>>>>>>>>>>>>>>>>>>>>
<<<<<<<<<<<<<<<<<<<<<<
DISTANCE restraints
1. Intramolecular teixobactin and intermolecular teixobactin - teixobactin Distance restraints
<<<<<<<<<<<<<<<<<<<<<<
Teixo A / TeixoB
unambig inter
;
1 1 13 15 parsed_6yfy 1
2
;
assign (resid 2 and name CG2 and segid A) (resid 6 and name C and segid B) 5.0 3.0 2.0 !
assign (resid 3 and name CB and segid A) (resid 6 and name C and segid B) 6.0 3.0 1.5 !
assign (resid 3 and name CA and segid A) (resid 10 and name CD and segid B) 5.0 3.0 2.0 !
Teixo A
unambig intra
;
34 1 39 16 parsed_6yfy 1
3 weak 47 90 47 96 parsed_6yfy 1
4
;
weak
Teixo B
unambig intra
;
48 90 51 16 parsed_6yfy 1
5 weak 59 90 59 96 parsed_6yfy 1
6
;
weak
ambig Teixo A / TeixoB
;
60 90 62 25 parsed_6yfy 1
7 weak 69 72 69 78 parsed_6yfy 1
8 weak 71 72 71 78 parsed_6yfy 1
9 weak 74 72 74 78 parsed_6yfy 1
10 weak 79 71 79 77 parsed_6yfy 1
11 weak 81 71 81 77 parsed_6yfy 1
stop_
save_
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