NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
35377 |
1ldz   |
4226 | cing | 2-parsed | STAR | distance | general distance | simple | 58 |
data_1ldz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ldz
_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_1ldz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ldz
_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 1ldz "Master copy" parsed_1ldz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ldz
_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 1ldz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 2 distance NOE simple 146 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 3 distance NOE simple 25 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 4 distance "general distance" simple 58 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ldz 1
1 1ldz.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ldz 1
1 1ldz.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ldz 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ldz
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_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_1ldz 1
2 1 . . . parsed_1ldz 1
3 1 . . . parsed_1ldz 1
4 1 . . . parsed_1ldz 1
5 1 . . . parsed_1ldz 1
6 1 . . . parsed_1ldz 1
7 1 . . . parsed_1ldz 1
8 1 . . . parsed_1ldz 1
9 1 . . . parsed_1ldz 1
10 1 . . . parsed_1ldz 1
11 1 . . . parsed_1ldz 1
12 1 . . . parsed_1ldz 1
13 1 . . . parsed_1ldz 1
14 1 . . . parsed_1ldz 1
15 1 . . . parsed_1ldz 1
16 1 . . . parsed_1ldz 1
17 1 . . . parsed_1ldz 1
18 1 . . . parsed_1ldz 1
19 1 . . . parsed_1ldz 1
20 1 . . . parsed_1ldz 1
21 1 . . . parsed_1ldz 1
22 1 . . . parsed_1ldz 1
23 1 . . . parsed_1ldz 1
24 1 . . . parsed_1ldz 1
25 1 . . . parsed_1ldz 1
26 1 . . . parsed_1ldz 1
27 1 . . . parsed_1ldz 1
28 1 . . . parsed_1ldz 1
29 1 . . . parsed_1ldz 1
30 1 . . . parsed_1ldz 1
31 1 . . . parsed_1ldz 1
32 1 . . . parsed_1ldz 1
33 1 . . . parsed_1ldz 1
34 1 . . . parsed_1ldz 1
35 1 . . . parsed_1ldz 1
36 1 . . . parsed_1ldz 1
37 1 . . . parsed_1ldz 1
38 1 . . . parsed_1ldz 1
39 1 . . . parsed_1ldz 1
40 1 . . . parsed_1ldz 1
41 1 . . . parsed_1ldz 1
42 1 . . . parsed_1ldz 1
43 1 . . . parsed_1ldz 1
44 1 . . . parsed_1ldz 1
45 1 . . . parsed_1ldz 1
46 1 . . . parsed_1ldz 1
47 1 . . . parsed_1ldz 1
48 1 . . . parsed_1ldz 1
49 1 . . . parsed_1ldz 1
50 1 . . . parsed_1ldz 1
51 1 . . . parsed_1ldz 1
52 1 . . . parsed_1ldz 1
53 1 . . . parsed_1ldz 1
54 1 . . . parsed_1ldz 1
55 1 . . . parsed_1ldz 1
56 1 . . . parsed_1ldz 1
57 1 . . . parsed_1ldz 1
58 1 . . . parsed_1ldz 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 . . . . . . . . . 26 . n2 parsed_1ldz 1
1 1 2 . . . . . . . . . 27 . h1' parsed_1ldz 1
2 1 1 . . . . . . . . . 1 . n2 parsed_1ldz 1
2 1 2 . . . . . . . . . 2 . h1' parsed_1ldz 1
3 1 1 . . . . . . . . . 19 . n2 parsed_1ldz 1
3 1 2 . . . . . . . . . 20 . h1' parsed_1ldz 1
4 1 1 . . . . . . . . . 19 . n2 parsed_1ldz 1
4 1 2 . . . . . . . . . 15 . h1' parsed_1ldz 1
5 1 1 . . . . . . . . . 29 . n2 parsed_1ldz 1
5 1 2 . . . . . . . . . 30 . h1' parsed_1ldz 1
6 1 1 . . . . . . . . . 29 . n2 parsed_1ldz 1
6 1 2 . . . . . . . . . 3 . h1' parsed_1ldz 1
7 1 1 . . . . . . . . . 23 . n2 parsed_1ldz 1
7 1 2 . . . . . . . . . 11 . h1' parsed_1ldz 1
8 1 1 . . . . . . . . . 3 . n2 parsed_1ldz 1
8 1 2 . . . . . . . . . 4 . h1' parsed_1ldz 1
9 1 1 . . . . . . . . . 3 . n2 parsed_1ldz 1
9 1 2 . . . . . . . . . 29 . h1' parsed_1ldz 1
10 1 1 . . . . . . . . . 22 . n2 parsed_1ldz 1
10 1 2 . . . . . . . . . 23 . h1' parsed_1ldz 1
11 1 1 . . . . . . . . . 22 . n2 parsed_1ldz 1
11 1 2 . . . . . . . . . 12 . h1' parsed_1ldz 1
12 1 1 . . . . . . . . . 13 . n2 parsed_1ldz 1
12 1 2 . . . . . . . . . 14 . h1' parsed_1ldz 1
13 1 1 . . . . . . . . . 13 . n2 parsed_1ldz 1
13 1 2 . . . . . . . . . 21 . h1' parsed_1ldz 1
14 1 1 . . . . . . . . . 14 . n4 parsed_1ldz 1
14 1 2 . . . . . . . . . 20 . h3 parsed_1ldz 1
15 1 1 . . . . . . . . . 14 . n4 parsed_1ldz 1
15 1 2 . . . . . . . . . 13 . h1 parsed_1ldz 1
16 1 1 . . . . . . . . . 3 . n2 parsed_1ldz 1
16 1 2 . . . . . . . . . 27 . h3 parsed_1ldz 1
17 1 1 . . . . . . . . . 5 . n4 parsed_1ldz 1
17 1 2 . . . . . . . . . 27 . h3 parsed_1ldz 1
18 1 1 . . . . . . . . . 11 . n4 parsed_1ldz 1
18 1 2 . . . . . . . . . 21 . h3 parsed_1ldz 1
19 1 1 . . . . . . . . . 28 . n4 parsed_1ldz 1
19 1 2 . . . . . . . . . 29 . h1 parsed_1ldz 1
20 1 1 . . . . . . . . . 25 . H2 parsed_1ldz 1
20 1 2 . . . . . . . . . 5 . N4 parsed_1ldz 1
21 1 1 . . . . . . . . . 4 . n6 parsed_1ldz 1
21 1 2 . . . . . . . . . 27 . h3 parsed_1ldz 1
22 1 1 . . . . . . . . . 4 . n6 parsed_1ldz 1
22 1 2 . . . . . . . . . 26 . h1 parsed_1ldz 1
23 1 1 . . . . . . . . . 4 . n6 parsed_1ldz 1
23 1 2 . . . . . . . . . 3 . h1 parsed_1ldz 1
24 1 1 . . . . . . . . . 4 . n6 parsed_1ldz 1
24 1 2 . . . . . . . . . 28 . n4 parsed_1ldz 1
25 1 1 . . . . . . . . . 4 . n6 parsed_1ldz 1
25 1 2 . . . . . . . . . 5 . n4 parsed_1ldz 1
26 1 1 . . . . . . . . . 12 . n6 parsed_1ldz 1
26 1 2 . . . . . . . . . 21 . h3 parsed_1ldz 1
27 1 1 . . . . . . . . . 12 . n6 parsed_1ldz 1
27 1 2 . . . . . . . . . 22 . h1 parsed_1ldz 1
28 1 1 . . . . . . . . . 12 . n6 parsed_1ldz 1
28 1 2 . . . . . . . . . 11 . n4 parsed_1ldz 1
29 1 1 . . . . . . . . . 26 . n2 parsed_1ldz 1
29 1 2 . . . . . . . . . 27 . h3 parsed_1ldz 1
30 1 1 . . . . . . . . . 19 . n2 parsed_1ldz 1
30 1 2 . . . . . . . . . 13 . h1 parsed_1ldz 1
31 1 1 . . . . . . . . . 22 . n2 parsed_1ldz 1
31 1 2 . . . . . . . . . 12 . h2 parsed_1ldz 1
32 1 1 . . . . . . . . . 3 . n2 parsed_1ldz 1
32 1 2 . . . . . . . . . 4 . h2 parsed_1ldz 1
33 1 1 . . . . . . . . . 14 . n4 parsed_1ldz 1
33 1 2 . . . . . . . . . 20 . h3 parsed_1ldz 1
34 1 1 . . . . . . . . . 14 . n4 parsed_1ldz 1
34 1 2 . . . . . . . . . 13 . h1 parsed_1ldz 1
35 1 1 . . . . . . . . . 14 . n4 parsed_1ldz 1
35 1 2 . . . . . . . . . 15 . h1 parsed_1ldz 1
36 1 1 . . . . . . . . . 18 . n6 parsed_1ldz 1
36 1 2 . . . . . . . . . 15 . h1' parsed_1ldz 1
37 1 1 . . . . . . . . . 18 . n6 parsed_1ldz 1
37 1 2 . . . . . . . . . 19 . h1 parsed_1ldz 1
38 1 1 . . . . . . . . . 17 . n6 parsed_1ldz 1
38 1 2 . . . . . . . . . 16 . h8 parsed_1ldz 1
39 1 1 . . . . . . . . . 17 . n6 parsed_1ldz 1
39 1 2 . . . . . . . . . 18 . h2 parsed_1ldz 1
40 1 1 . . . . . . . . . 17 . n6 parsed_1ldz 1
40 1 2 . . . . . . . . . 15 . h1' parsed_1ldz 1
41 1 1 . . . . . . . . . 16 . n6 parsed_1ldz 1
41 1 2 . . . . . . . . . 17 . h2 parsed_1ldz 1
42 1 1 . . . . . . . . . 12 . H2 parsed_1ldz 1
42 1 2 . . . . . . . . . 13 . H8 parsed_1ldz 1
43 1 1 . . . . . . . . . 12 . H2 parsed_1ldz 1
43 1 2 . . . . . . . . . 22 . H8 parsed_1ldz 1
44 1 1 . . . . . . . . . 22 . H8 parsed_1ldz 1
44 1 2 . . . . . . . . . 23 . H8 parsed_1ldz 1
45 1 1 . . . . . . . . . 25 . H2 parsed_1ldz 1
45 1 2 . . . . . . . . . 26 . H8 parsed_1ldz 1
46 1 1 . . . . . . . . . 17 . H2 parsed_1ldz 1
46 1 2 . . . . . . . . . 18 . H2 parsed_1ldz 1
47 1 1 . . . . . . . . . 7 . H8 parsed_1ldz 1
47 1 2 . . . . . . . . . 25 . H2 parsed_1ldz 1
48 1 1 . . . . . . . . . 18 . H8 parsed_1ldz 1
48 1 2 . . . . . . . . . 19 . H8 parsed_1ldz 1
49 1 1 . . . . . . . . . 25 . H8 parsed_1ldz 1
49 1 2 . . . . . . . . . 26 . H8 parsed_1ldz 1
50 1 1 . . . . . . . . . 16 . H8 parsed_1ldz 1
50 1 2 . . . . . . . . . 17 . H8 parsed_1ldz 1
51 1 1 . . . . . . . . . 12 . H8 parsed_1ldz 1
51 1 2 . . . . . . . . . 13 . H8 parsed_1ldz 1
52 1 1 . . . . . . . . . 14 . H6 parsed_1ldz 1
52 1 2 . . . . . . . . . 15 . H8 parsed_1ldz 1
53 1 1 . . . . . . . . . 13 . H8 parsed_1ldz 1
53 1 2 . . . . . . . . . 14 . H6 parsed_1ldz 1
54 1 1 . . . . . . . . . 21 . H6 parsed_1ldz 1
54 1 2 . . . . . . . . . 22 . H8 parsed_1ldz 1
55 1 1 . . . . . . . . . 4 . H8 parsed_1ldz 1
55 1 2 . . . . . . . . . 5 . H6 parsed_1ldz 1
56 1 1 . . . . . . . . . 17 . H8 parsed_1ldz 1
56 1 2 . . . . . . . . . 18 . H8 parsed_1ldz 1
57 1 1 . . . . . . . . . 23 . H8 parsed_1ldz 1
57 1 2 . . . . . . . . . 24 . H8 parsed_1ldz 1
58 1 1 . . . . . . . . . 8 . H8 parsed_1ldz 1
58 1 2 . . . . . . . . . 25 . H2 parsed_1ldz 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 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
2 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
3 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
4 1 . . . . . 3.90 0.00 6.50 parsed_1ldz 1
5 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
6 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
7 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
8 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
9 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
10 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
11 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
12 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
13 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
14 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
15 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
16 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
17 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
18 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
19 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
20 1 . . . . . 3.90 0.00 6.00 parsed_1ldz 1
21 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
22 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
23 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
24 1 . . . . . 4.00 0.00 8.00 parsed_1ldz 1
25 1 . . . . . 4.00 0.00 8.00 parsed_1ldz 1
26 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
27 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
28 1 . . . . . 4.00 0.00 8.00 parsed_1ldz 1
29 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
30 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
31 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
32 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
33 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
34 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
35 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
36 1 . . . . . 3.00 0.00 7.00 parsed_1ldz 1
37 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
38 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
39 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
40 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
41 1 . . . . . 4.00 0.00 7.00 parsed_1ldz 1
42 1 . . . . . 4.20 0.00 4.20 parsed_1ldz 1
43 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 1
44 1 . . . . . 4.20 0.00 4.20 parsed_1ldz 1
45 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 1
46 1 . . . . . 3.75 0.00 4.75 parsed_1ldz 1
47 1 . . . . . 4.20 0.00 4.20 parsed_1ldz 1
48 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 1
49 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 1
50 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 1
51 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 1
52 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 1
53 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 1
54 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 1
55 1 . . . . . 3.75 0.00 3.75 parsed_1ldz 1
56 1 . . . . . 4.20 0.00 4.20 parsed_1ldz 1
57 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 1
58 1 . . . . . 5.50 0.00 5.50 parsed_1ldz 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
;
6. G imino to H1' NOEs (indirect distances involving NH2 group:
1.8 - 5.0 Angstrom for residues in helices
formed by 1-4 11-14, 19-22, 27-30
1.8 - 6.8 Angstrom for others )
1.8 - 6 A H1' to G amino nitrogen
;
1 1 8 5 parsed_1ldz 1
2
;
7. G/U imino to other NH2s NOEs (direct distances: 1.8 - 7.0 Angstrom )
imino to amino nitrogen 1.8 - 6 A
;
22 1 29 5 parsed_1ldz 1
3
;
8. Aromatics to NH NOEs (direct distances: 1.8 - 7.0 Angstrom
9. Others
;
36 1 44 5 parsed_1ldz 1
4
;
file lz2_ami2.noe 5/07/95
This file contains the distances derived from the observed NOE
in Luci's spectrum: leadz_cpmg-xy_noe-16c-2.mat and leadz_cpmg-xy_noe_24c.mat
and which have not been observed in other NOESY spectra
ref. Mueller et al. JACS 117, 11043 (1995)
NOESY to amino are defined to the nitrogen
The distance is defined as:
1.8 to 6.0 A involving one amino
1.8 to 7.0 A involving two aminos
except for A18NH2 to G15 H1' (1.8 to 4.0)
The distance is redefined as: (5/7/95)
1.8 to 7.0 A involving one amino
1.8 to 8.0 A involving two aminos
except for A18NH2 to G15 H1' (1.8 to 4.0)
Modified CGH 071195 reset A18
Please acknowledge these references
in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Sunday, April 28, 2024 9:16:33 PM GMT
(wattos1)