NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
559263 |
2lw6   |
18607 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 44 |
data_2lw6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lw6
_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_2lw6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lw6
_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 2lw6 "Master copy" parsed_2lw6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lw6
_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 2lw6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lw6 1
1 2lw6.mr . . XEASY 2 peak "Not applicable" "Not applicable" 0 parsed_2lw6 1
1 2lw6.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 89 parsed_2lw6 1
1 2lw6.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 44 parsed_2lw6 1
1 2lw6.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lw6 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2lw6
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_2lw6 1
2 1 . . . parsed_2lw6 1
3 1 . . . parsed_2lw6 1
4 1 . . . parsed_2lw6 1
5 1 . . . parsed_2lw6 1
6 1 . . . parsed_2lw6 1
7 1 . . . parsed_2lw6 1
8 1 . . . parsed_2lw6 1
9 1 . . . parsed_2lw6 1
10 1 . . . parsed_2lw6 1
11 1 . . . parsed_2lw6 1
12 1 . . . parsed_2lw6 1
13 1 . . . parsed_2lw6 1
14 1 . . . parsed_2lw6 1
15 1 . . . parsed_2lw6 1
16 1 . . . parsed_2lw6 1
17 1 . . . parsed_2lw6 1
18 1 . . . parsed_2lw6 1
19 1 . . . parsed_2lw6 1
20 1 . . . parsed_2lw6 1
21 1 . . . parsed_2lw6 1
22 1 . . . parsed_2lw6 1
23 1 . . . parsed_2lw6 1
24 1 . . . parsed_2lw6 1
25 1 . . . parsed_2lw6 1
26 1 . . . parsed_2lw6 1
27 1 . . . parsed_2lw6 1
28 1 . . . parsed_2lw6 1
29 1 . . . parsed_2lw6 1
30 1 . . . parsed_2lw6 1
31 1 . . . parsed_2lw6 1
32 1 . . . parsed_2lw6 1
33 1 . . . parsed_2lw6 1
34 1 . . . parsed_2lw6 1
35 1 . . . parsed_2lw6 1
36 1 . . . parsed_2lw6 1
37 1 . . . parsed_2lw6 1
38 1 . . . parsed_2lw6 1
39 1 . . . parsed_2lw6 1
40 1 . . . parsed_2lw6 1
41 1 . . . parsed_2lw6 1
42 1 . . . parsed_2lw6 1
43 1 . . . parsed_2lw6 1
44 1 . . . parsed_2lw6 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 . . . . . . . . " " 82 . o parsed_2lw6 1
1 1 2 . . . . . . . . " " 79 . hn parsed_2lw6 1
2 1 1 . . . . . . . . " " 82 . o parsed_2lw6 1
2 1 2 . . . . . . . . " " 79 . n parsed_2lw6 1
3 1 1 . . . . . . . . " " 79 . o parsed_2lw6 1
3 1 2 . . . . . . . . " " 82 . hn parsed_2lw6 1
4 1 1 . . . . . . . . " " 79 . o parsed_2lw6 1
4 1 2 . . . . . . . . " " 82 . n parsed_2lw6 1
5 1 1 . . . . . . . . " " 32 . o parsed_2lw6 1
5 1 2 . . . . . . . . " " 29 . hn parsed_2lw6 1
6 1 1 . . . . . . . . " " 32 . o parsed_2lw6 1
6 1 2 . . . . . . . . " " 29 . n parsed_2lw6 1
7 1 1 . . . . . . . . " " 29 . o parsed_2lw6 1
7 1 2 . . . . . . . . " " 32 . hn parsed_2lw6 1
8 1 1 . . . . . . . . " " 29 . o parsed_2lw6 1
8 1 2 . . . . . . . . " " 32 . n parsed_2lw6 1
9 1 1 . . . . . . . . " " 37 . o parsed_2lw6 1
9 1 2 . . . . . . . . " " 25 . hn parsed_2lw6 1
10 1 1 . . . . . . . . " " 37 . o parsed_2lw6 1
10 1 2 . . . . . . . . " " 25 . n parsed_2lw6 1
11 1 1 . . . . . . . . " " 25 . o parsed_2lw6 1
11 1 2 . . . . . . . . " " 37 . hn parsed_2lw6 1
12 1 1 . . . . . . . . " " 25 . o parsed_2lw6 1
12 1 2 . . . . . . . . " " 37 . n parsed_2lw6 1
13 1 1 . . . . . . . . " " 35 . o parsed_2lw6 1
13 1 2 . . . . . . . . " " 27 . hn parsed_2lw6 1
14 1 1 . . . . . . . . " " 35 . o parsed_2lw6 1
14 1 2 . . . . . . . . " " 27 . n parsed_2lw6 1
15 1 1 . . . . . . . . " " 27 . o parsed_2lw6 1
15 1 2 . . . . . . . . " " 35 . hn parsed_2lw6 1
16 1 1 . . . . . . . . " " 27 . o parsed_2lw6 1
16 1 2 . . . . . . . . " " 35 . n parsed_2lw6 1
17 1 1 . . . . . . . . " " 39 . o parsed_2lw6 1
17 1 2 . . . . . . . . " " 23 . hn parsed_2lw6 1
18 1 1 . . . . . . . . " " 39 . o parsed_2lw6 1
18 1 2 . . . . . . . . " " 23 . n parsed_2lw6 1
19 1 1 . . . . . . . . " " 23 . o parsed_2lw6 1
19 1 2 . . . . . . . . " " 39 . hn parsed_2lw6 1
20 1 1 . . . . . . . . " " 23 . o parsed_2lw6 1
20 1 2 . . . . . . . . " " 39 . n parsed_2lw6 1
21 1 1 . . . . . . . . " " 62 . o parsed_2lw6 1
21 1 2 . . . . . . . . " " 45 . hn parsed_2lw6 1
22 1 1 . . . . . . . . " " 62 . o parsed_2lw6 1
22 1 2 . . . . . . . . " " 45 . n parsed_2lw6 1
23 1 1 . . . . . . . . " " 45 . o parsed_2lw6 1
23 1 2 . . . . . . . . " " 62 . hn parsed_2lw6 1
24 1 1 . . . . . . . . " " 45 . o parsed_2lw6 1
24 1 2 . . . . . . . . " " 62 . n parsed_2lw6 1
25 1 1 . . . . . . . . " " 60 . o parsed_2lw6 1
25 1 2 . . . . . . . . " " 47 . hn parsed_2lw6 1
26 1 1 . . . . . . . . " " 60 . o parsed_2lw6 1
26 1 2 . . . . . . . . " " 47 . n parsed_2lw6 1
27 1 1 . . . . . . . . " " 47 . o parsed_2lw6 1
27 1 2 . . . . . . . . " " 60 . hn parsed_2lw6 1
28 1 1 . . . . . . . . " " 47 . o parsed_2lw6 1
28 1 2 . . . . . . . . " " 60 . n parsed_2lw6 1
29 1 1 . . . . . . . . " " 74 . o parsed_2lw6 1
29 1 2 . . . . . . . . " " 63 . hn parsed_2lw6 1
30 1 1 . . . . . . . . " " 74 . o parsed_2lw6 1
30 1 2 . . . . . . . . " " 63 . n parsed_2lw6 1
31 1 1 . . . . . . . . " " 63 . o parsed_2lw6 1
31 1 2 . . . . . . . . " " 74 . hn parsed_2lw6 1
32 1 1 . . . . . . . . " " 63 . o parsed_2lw6 1
32 1 2 . . . . . . . . " " 74 . n parsed_2lw6 1
33 1 1 . . . . . . . . " " 76 . o parsed_2lw6 1
33 1 2 . . . . . . . . " " 61 . hn parsed_2lw6 1
34 1 1 . . . . . . . . " " 76 . o parsed_2lw6 1
34 1 2 . . . . . . . . " " 61 . n parsed_2lw6 1
35 1 1 . . . . . . . . " " 61 . o parsed_2lw6 1
35 1 2 . . . . . . . . " " 76 . hn parsed_2lw6 1
36 1 1 . . . . . . . . " " 61 . o parsed_2lw6 1
36 1 2 . . . . . . . . " " 76 . n parsed_2lw6 1
37 1 1 . . . . . . . . " " 49 . o parsed_2lw6 1
37 1 2 . . . . . . . . " " 57 . hn parsed_2lw6 1
38 1 1 . . . . . . . . " " 49 . o parsed_2lw6 1
38 1 2 . . . . . . . . " " 57 . n parsed_2lw6 1
39 1 1 . . . . . . . . " " 57 . o parsed_2lw6 1
39 1 2 . . . . . . . . " " 49 . hn parsed_2lw6 1
40 1 1 . . . . . . . . " " 57 . o parsed_2lw6 1
40 1 2 . . . . . . . . " " 49 . n parsed_2lw6 1
41 1 1 . . . . . . . . " " 83 . o parsed_2lw6 1
41 1 2 . . . . . . . . " " 28 . hn parsed_2lw6 1
42 1 1 . . . . . . . . " " 83 . o parsed_2lw6 1
42 1 2 . . . . . . . . " " 28 . n parsed_2lw6 1
43 1 1 . . . . . . . . " " 28 . o parsed_2lw6 1
43 1 2 . . . . . . . . " " 83 . hn parsed_2lw6 1
44 1 1 . . . . . . . . " " 28 . o parsed_2lw6 1
44 1 2 . . . . . . . . " " 83 . n parsed_2lw6 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 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
2 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
3 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
4 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
5 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
6 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
7 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
8 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
9 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
10 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
11 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
12 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
13 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
14 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
15 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
16 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
17 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
18 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
19 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
20 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
21 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
22 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
23 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
24 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
25 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
26 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
27 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
28 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
29 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
30 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
31 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
32 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
33 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
34 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
35 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
36 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
37 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
38 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
39 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
40 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
41 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
42 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 1
43 1 . . . . . 2.0 1.3 2.5 parsed_2lw6 1
44 1 . . . . . 3.0 2.3 3.5 parsed_2lw6 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
;
assign (resid 214 and name o)
(resid 18 and name hn) 2.0 0.7 0.5
assign (resid 214 and name o)
(resid 18 and name n) 3.0 0.7 0.5
assign (segid A and resid 51 and name N )
(segid A and resid 39 and name O ) 2.8 0.4 0.5
assign (segid A and resid 41 and name N )
(segid A and resid 49 and name O ) 2.8 0.4 0.5
A79 -> F82 # 3 NOEs were observed .....
;
1 1 11 45 parsed_2lw6 1
2 "F82 -> A79 # 3 NOEs were observed ....." 17 1 17 45 parsed_2lw6 1
3 "Y29 -> R32 # 3 NOEs were observed ....." 23 1 23 45 parsed_2lw6 1
4 "R32 -> Y29 # 3 NOEs were observed ....." 29 1 29 45 parsed_2lw6 1
5 "H25 -> I37 # 3 NOEs were observed ....." 35 1 35 45 parsed_2lw6 1
6 "I19 -> H7 # 3 NOEs were observed ....." 41 1 41 44 parsed_2lw6 1
7 "L27 -> G35 # 3 NOEs were observed ....." 47 1 47 45 parsed_2lw6 1
8 "L27 -> G35 # 3 NOEs were observed ....." 53 1 53 45 parsed_2lw6 1
9 "C23 -> K39 # 3 NOEs were observed ....." 59 1 59 45 parsed_2lw6 1
10 "K39 -> C23 # 3 NOEs were observed ....." 65 1 65 45 parsed_2lw6 1
11 "V45 -> C62 # 3 NOEs were observed ....." 71 1 71 45 parsed_2lw6 1
12 "C62 -> V45 # 3 NOEs were observed ....." 77 1 77 45 parsed_2lw6 1
13 "F47 -> A60 # 3 NOEs were observed ....." 83 1 83 45 parsed_2lw6 1
14 "A60 -> F47 # 3 NOEs were observed ....." 89 1 89 45 parsed_2lw6 1
15 "K63 -> K74 # 3 NOEs were observed ....." 95 1 95 45 parsed_2lw6 1
16 "K74 -> K63 # 3 NOEs were observed ....." 101 1 101 45 parsed_2lw6 1
17 "I61 -> T76 # 3 NOEs were observed ....." 107 1 107 45 parsed_2lw6 1
18 "I76 -> I61 # 3 NOEs were observed ....." 113 1 113 45 parsed_2lw6 1
19 "R57 -> E49 # 3 NOEs were observed ....." 120 1 120 45 parsed_2lw6 1
20 "E49 -> R57 # 3 NOEs were observed ....." 126 1 126 45 parsed_2lw6 1
21 "L28 -> S83 # 3 NOEs were observed ....." 132 1 132 45 parsed_2lw6 1
22 "S83 -> L28 # 3 NOEs were observed ....." 138 1 138 45 parsed_2lw6 1
23
;
!!A23 -> Q4 # 3 NOEs were observed .....
assign (segid " " and resid 4 and name o)
(segid " " and resid 23 and name hn) 2.0 0.7 0.5
assign (segid " " and resid 4 and name o)
(segid " " and resid 23 and name n) 3.0 0.7 0.5
;
145 1 149 65 parsed_2lw6 1
stop_
save_
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