NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
654637 |
6lnz   |
cing | 2-parsed | STAR | distance | hydrogen bond | simple | 53 |
data_6lnz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6lnz
_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_6lnz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6lnz
_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 6lnz "Master copy" parsed_6lnz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6lnz
_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 6lnz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6lnz 1
1 6lnz.mr . . XPLOR/CNS 2 distance NOE simple 416 parsed_6lnz 1
1 6lnz.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 12 parsed_6lnz 1
1 6lnz.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 53 parsed_6lnz 1
1 6lnz.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_6lnz 1
1 6lnz.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6lnz 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6lnz
_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_6lnz 1
2 1 . . . parsed_6lnz 1
3 1 . . . parsed_6lnz 1
4 1 . . . parsed_6lnz 1
5 1 . . . parsed_6lnz 1
6 1 . . . parsed_6lnz 1
7 1 . . . parsed_6lnz 1
8 1 . . . parsed_6lnz 1
9 1 . . . parsed_6lnz 1
10 1 . . . parsed_6lnz 1
11 1 . . . parsed_6lnz 1
12 1 . . . parsed_6lnz 1
13 1 . . . parsed_6lnz 1
14 1 . . . parsed_6lnz 1
15 1 . . . parsed_6lnz 1
16 1 . . . parsed_6lnz 1
17 1 . . . parsed_6lnz 1
18 1 . . . parsed_6lnz 1
19 1 . . . parsed_6lnz 1
20 1 . . . parsed_6lnz 1
21 1 . . . parsed_6lnz 1
22 1 . . . parsed_6lnz 1
23 1 . . . parsed_6lnz 1
24 1 . . . parsed_6lnz 1
25 1 . . . parsed_6lnz 1
26 1 . . . parsed_6lnz 1
27 1 . . . parsed_6lnz 1
28 1 . . . parsed_6lnz 1
29 1 . . . parsed_6lnz 1
30 1 . . . parsed_6lnz 1
31 1 . . . parsed_6lnz 1
32 1 . . . parsed_6lnz 1
33 1 . . . parsed_6lnz 1
34 1 . . . parsed_6lnz 1
35 1 . . . parsed_6lnz 1
36 1 . . . parsed_6lnz 1
37 1 . . . parsed_6lnz 1
38 1 . . . parsed_6lnz 1
39 1 . . . parsed_6lnz 1
40 1 . . . parsed_6lnz 1
41 1 . . . parsed_6lnz 1
42 1 . . . parsed_6lnz 1
43 1 . . . parsed_6lnz 1
44 1 . . . parsed_6lnz 1
45 1 . . . parsed_6lnz 1
46 1 . . . parsed_6lnz 1
47 1 . . . parsed_6lnz 1
48 1 . . . parsed_6lnz 1
49 1 . . . parsed_6lnz 1
50 1 . . . parsed_6lnz 1
51 1 . . . parsed_6lnz 1
52 1 . . . parsed_6lnz 1
53 1 . . . parsed_6lnz 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 . . . . . . . . . 2 . O6 parsed_6lnz 1
1 1 2 . . . . . . . . . 13 . H3 parsed_6lnz 1
2 1 1 . . . . . . . . . 2 . O6 parsed_6lnz 1
2 1 2 . . . . . . . . . 13 . N3 parsed_6lnz 1
3 1 1 . . . . . . . . . 2 . H1 parsed_6lnz 1
3 1 2 . . . . . . . . . 13 . O4 parsed_6lnz 1
4 1 1 . . . . . . . . . 2 . N1 parsed_6lnz 1
4 1 2 . . . . . . . . . 13 . O4 parsed_6lnz 1
5 1 1 . . . . . . . . . 2 . H22 parsed_6lnz 1
5 1 2 . . . . . . . . . 13 . O4 parsed_6lnz 1
6 1 1 . . . . . . . . . 3 . N7 parsed_6lnz 1
6 1 2 . . . . . . . . . 18 . H22 parsed_6lnz 1
7 1 1 . . . . . . . . . 3 . N7 parsed_6lnz 1
7 1 2 . . . . . . . . . 18 . N2 parsed_6lnz 1
8 1 1 . . . . . . . . . 3 . O6 parsed_6lnz 1
8 1 2 . . . . . . . . . 18 . H1 parsed_6lnz 1
9 1 1 . . . . . . . . . 3 . O6 parsed_6lnz 1
9 1 2 . . . . . . . . . 18 . N1 parsed_6lnz 1
10 1 1 . . . . . . . . . 18 . N7 parsed_6lnz 1
10 1 2 . . . . . . . . . 14 . H21 parsed_6lnz 1
11 1 1 . . . . . . . . . 18 . N7 parsed_6lnz 1
11 1 2 . . . . . . . . . 14 . N2 parsed_6lnz 1
12 1 1 . . . . . . . . . 18 . O6 parsed_6lnz 1
12 1 2 . . . . . . . . . 14 . H1 parsed_6lnz 1
13 1 1 . . . . . . . . . 18 . O6 parsed_6lnz 1
13 1 2 . . . . . . . . . 14 . N1 parsed_6lnz 1
14 1 1 . . . . . . . . . 14 . N7 parsed_6lnz 1
14 1 2 . . . . . . . . . 7 . H21 parsed_6lnz 1
15 1 1 . . . . . . . . . 14 . N7 parsed_6lnz 1
15 1 2 . . . . . . . . . 7 . N2 parsed_6lnz 1
16 1 1 . . . . . . . . . 14 . O6 parsed_6lnz 1
16 1 2 . . . . . . . . . 7 . H1 parsed_6lnz 1
17 1 1 . . . . . . . . . 14 . O6 parsed_6lnz 1
17 1 2 . . . . . . . . . 7 . N1 parsed_6lnz 1
18 1 1 . . . . . . . . . 7 . N7 parsed_6lnz 1
18 1 2 . . . . . . . . . 3 . H22 parsed_6lnz 1
19 1 1 . . . . . . . . . 7 . N7 parsed_6lnz 1
19 1 2 . . . . . . . . . 3 . N2 parsed_6lnz 1
20 1 1 . . . . . . . . . 7 . O6 parsed_6lnz 1
20 1 2 . . . . . . . . . 3 . H1 parsed_6lnz 1
21 1 1 . . . . . . . . . 7 . O6 parsed_6lnz 1
21 1 2 . . . . . . . . . 3 . N1 parsed_6lnz 1
22 1 1 . . . . . . . . . 4 . N7 parsed_6lnz 1
22 1 2 . . . . . . . . . 19 . H22 parsed_6lnz 1
23 1 1 . . . . . . . . . 4 . N7 parsed_6lnz 1
23 1 2 . . . . . . . . . 19 . N2 parsed_6lnz 1
24 1 1 . . . . . . . . . 4 . O6 parsed_6lnz 1
24 1 2 . . . . . . . . . 19 . H1 parsed_6lnz 1
25 1 1 . . . . . . . . . 4 . O6 parsed_6lnz 1
25 1 2 . . . . . . . . . 19 . N1 parsed_6lnz 1
26 1 1 . . . . . . . . . 19 . N7 parsed_6lnz 1
26 1 2 . . . . . . . . . 15 . H21 parsed_6lnz 1
27 1 1 . . . . . . . . . 19 . N7 parsed_6lnz 1
27 1 2 . . . . . . . . . 15 . N2 parsed_6lnz 1
28 1 1 . . . . . . . . . 19 . O6 parsed_6lnz 1
28 1 2 . . . . . . . . . 15 . H1 parsed_6lnz 1
29 1 1 . . . . . . . . . 19 . O6 parsed_6lnz 1
29 1 2 . . . . . . . . . 15 . N1 parsed_6lnz 1
30 1 1 . . . . . . . . . 15 . N7 parsed_6lnz 1
30 1 2 . . . . . . . . . 8 . H21 parsed_6lnz 1
31 1 1 . . . . . . . . . 15 . N7 parsed_6lnz 1
31 1 2 . . . . . . . . . 8 . N2 parsed_6lnz 1
32 1 1 . . . . . . . . . 15 . O6 parsed_6lnz 1
32 1 2 . . . . . . . . . 8 . H1 parsed_6lnz 1
33 1 1 . . . . . . . . . 15 . O6 parsed_6lnz 1
33 1 2 . . . . . . . . . 8 . N1 parsed_6lnz 1
34 1 1 . . . . . . . . . 8 . N7 parsed_6lnz 1
34 1 2 . . . . . . . . . 4 . H22 parsed_6lnz 1
35 1 1 . . . . . . . . . 8 . N7 parsed_6lnz 1
35 1 2 . . . . . . . . . 4 . N2 parsed_6lnz 1
36 1 1 . . . . . . . . . 8 . O6 parsed_6lnz 1
36 1 2 . . . . . . . . . 4 . H1 parsed_6lnz 1
37 1 1 . . . . . . . . . 8 . O6 parsed_6lnz 1
37 1 2 . . . . . . . . . 4 . N1 parsed_6lnz 1
38 1 1 . . . . . . . . . 5 . N7 parsed_6lnz 1
38 1 2 . . . . . . . . . 20 . H22 parsed_6lnz 1
39 1 1 . . . . . . . . . 5 . N7 parsed_6lnz 1
39 1 2 . . . . . . . . . 20 . N2 parsed_6lnz 1
40 1 1 . . . . . . . . . 5 . O6 parsed_6lnz 1
40 1 2 . . . . . . . . . 20 . H1 parsed_6lnz 1
41 1 1 . . . . . . . . . 5 . O6 parsed_6lnz 1
41 1 2 . . . . . . . . . 20 . N1 parsed_6lnz 1
42 1 1 . . . . . . . . . 20 . N7 parsed_6lnz 1
42 1 2 . . . . . . . . . 16 . H22 parsed_6lnz 1
43 1 1 . . . . . . . . . 20 . N7 parsed_6lnz 1
43 1 2 . . . . . . . . . 16 . N2 parsed_6lnz 1
44 1 1 . . . . . . . . . 20 . O6 parsed_6lnz 1
44 1 2 . . . . . . . . . 16 . H1 parsed_6lnz 1
45 1 1 . . . . . . . . . 20 . O6 parsed_6lnz 1
45 1 2 . . . . . . . . . 16 . N1 parsed_6lnz 1
46 1 1 . . . . . . . . . 16 . N7 parsed_6lnz 1
46 1 2 . . . . . . . . . 9 . H21 parsed_6lnz 1
47 1 1 . . . . . . . . . 16 . N7 parsed_6lnz 1
47 1 2 . . . . . . . . . 9 . N2 parsed_6lnz 1
48 1 1 . . . . . . . . . 16 . O6 parsed_6lnz 1
48 1 2 . . . . . . . . . 9 . H1 parsed_6lnz 1
49 1 1 . . . . . . . . . 16 . O6 parsed_6lnz 1
49 1 2 . . . . . . . . . 9 . N1 parsed_6lnz 1
50 1 1 . . . . . . . . . 9 . N7 parsed_6lnz 1
50 1 2 . . . . . . . . . 5 . H21 parsed_6lnz 1
51 1 1 . . . . . . . . . 9 . N7 parsed_6lnz 1
51 1 2 . . . . . . . . . 5 . N2 parsed_6lnz 1
52 1 1 . . . . . . . . . 9 . O6 parsed_6lnz 1
52 1 2 . . . . . . . . . 5 . H1 parsed_6lnz 1
53 1 1 . . . . . . . . . 9 . O6 parsed_6lnz 1
53 1 2 . . . . . . . . . 5 . N1 parsed_6lnz 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 . . . . . 2.62 2.52 2.72 parsed_6lnz 1
2 1 . . . . . 3.70 3.60 3.80 parsed_6lnz 1
3 1 . . . . . 2.40 2.30 2.50 parsed_6lnz 1
4 1 . . . . . 3.40 3.30 3.50 parsed_6lnz 1
5 1 . . . . . 3.44 3.34 3.54 parsed_6lnz 1
6 1 . . . . . 1.88 1.78 1.98 parsed_6lnz 1
7 1 . . . . . 2.95 2.85 3.05 parsed_6lnz 1
8 1 . . . . . 2.28 2.18 2.38 parsed_6lnz 1
9 1 . . . . . 3.15 3.05 3.25 parsed_6lnz 1
10 1 . . . . . 1.70 1.60 1.80 parsed_6lnz 1
11 1 . . . . . 2.70 2.60 2.80 parsed_6lnz 1
12 1 . . . . . 1.70 1.60 1.80 parsed_6lnz 1
13 1 . . . . . 2.70 2.60 2.80 parsed_6lnz 1
14 1 . . . . . 2.25 2.15 2.35 parsed_6lnz 1
15 1 . . . . . 3.20 3.10 3.30 parsed_6lnz 1
16 1 . . . . . 2.20 2.10 2.30 parsed_6lnz 1
17 1 . . . . . 2.95 2.85 3.05 parsed_6lnz 1
18 1 . . . . . 1.60 1.50 1.70 parsed_6lnz 1
19 1 . . . . . 2.60 2.50 2.70 parsed_6lnz 1
20 1 . . . . . 2.20 2.10 2.30 parsed_6lnz 1
21 1 . . . . . 3.10 3.00 3.20 parsed_6lnz 1
22 1 . . . . . 1.99 1.89 2.09 parsed_6lnz 1
23 1 . . . . . 2.85 2.75 2.95 parsed_6lnz 1
24 1 . . . . . 1.95 1.85 2.05 parsed_6lnz 1
25 1 . . . . . 2.95 2.85 3.05 parsed_6lnz 1
26 1 . . . . . 2.15 2.05 2.25 parsed_6lnz 1
27 1 . . . . . 3.00 2.90 3.10 parsed_6lnz 1
28 1 . . . . . 1.85 1.75 1.95 parsed_6lnz 1
29 1 . . . . . 2.85 2.75 2.95 parsed_6lnz 1
30 1 . . . . . 1.99 1.89 2.09 parsed_6lnz 1
31 1 . . . . . 2.95 2.85 3.05 parsed_6lnz 1
32 1 . . . . . 1.95 1.85 2.05 parsed_6lnz 1
33 1 . . . . . 2.95 2.85 3.05 parsed_6lnz 1
34 1 . . . . . 2.15 2.05 2.25 parsed_6lnz 1
35 1 . . . . . 3.10 3.00 3.20 parsed_6lnz 1
36 1 . . . . . 1.85 1.75 1.95 parsed_6lnz 1
37 1 . . . . . 2.85 2.75 2.95 parsed_6lnz 1
38 1 . . . . . 1.99 1.89 2.09 parsed_6lnz 1
39 1 . . . . . 2.85 2.75 2.95 parsed_6lnz 1
40 1 . . . . . 1.95 1.85 2.05 parsed_6lnz 1
41 1 . . . . . 2.95 2.85 3.05 parsed_6lnz 1
42 1 . . . . . 1.99 1.89 2.09 parsed_6lnz 1
43 1 . . . . . 3.05 2.95 3.15 parsed_6lnz 1
44 1 . . . . . 1.95 1.85 2.05 parsed_6lnz 1
45 1 . . . . . 2.85 2.75 2.95 parsed_6lnz 1
46 1 . . . . . 1.99 1.89 2.09 parsed_6lnz 1
47 1 . . . . . 2.85 2.75 2.95 parsed_6lnz 1
48 1 . . . . . 2.05 1.95 2.15 parsed_6lnz 1
49 1 . . . . . 3.05 2.95 3.15 parsed_6lnz 1
50 1 . . . . . 2.05 1.95 2.15 parsed_6lnz 1
51 1 . . . . . 3.05 2.95 3.15 parsed_6lnz 1
52 1 . . . . . 1.85 1.75 1.95 parsed_6lnz 1
53 1 . . . . . 2.85 2.75 2.95 parsed_6lnz 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
;
assi (resi 9 and name H2) (resi 11 and name H8) 8 2.00 6.00
assi (resi 9 and name N1) (resi 11 and name H8) 8 2.00 6.00
assi (resi 9 and name N1) (resi 5 and name N2) 8 2.00 6.00
assi (resi 9 and name H2) (resi 5 and name N2) 8 2.00 6.00
assi (resi 25 and name C8) (resi 24 and name N9) 3.5 0.2 0.2
! hbond
assi (resi 3 and name N1) (resi 9 and name H62) 2.0 0.2 0.2
assi (resi 3 and name N1) (resi 9 and name N6) 3.0 0.2 0.2
assi (resi 3 and name N6) (resi 21 and name N1) 2.95 0.2 0.2
assi (resi 3 and name H62) (resi 21 and name N1) 2.00 0.2 0.2
assi (resi 3 and name N7) (resi 21 and name H2) 2.0 0.2 0.2
assi (resi 3 and name N7) (resi 21 and name C2) 3.00 0.2 0.2
assi (resi 10 and name H41) (resi 21 and name O6) 3.06 0.2 0.2
assi (resi 10 and name H42) (resi 21 and name H1) 3.25 0.2 0.2
;
2 1 22 64 parsed_6lnz 1
2
;
Hbond
tetrad 1
;
30 1 32 10 parsed_6lnz 1
3 "tetrad 2" 53 1 53 10 parsed_6lnz 1
4 "tetrad 3" 74 1 74 10 parsed_6lnz 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 5: hbond-v1.tbl" 1 1 1 33 parsed_6lnz 1
stop_
save_
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