NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
39477 |
1t54   |
6218 | cing | 2-parsed | STAR | distance | NOE | simple | 49 |
data_1t54_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1t54
_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_1t54 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1t54
_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 1t54 "Master copy" parsed_1t54
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1t54
_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 1t54.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1t54 1
1 1t54.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 0 parsed_1t54 1
1 1t54.mr . . XPLOR/CNS 3 distance NOE simple 49 parsed_1t54 1
1 1t54.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1t54 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1t54
_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_1t54 1
2 1 . . . parsed_1t54 1
3 1 . . . parsed_1t54 1
4 1 . . . parsed_1t54 1
5 1 . . . parsed_1t54 1
6 1 . . . parsed_1t54 1
7 1 . . . parsed_1t54 1
8 1 . . . parsed_1t54 1
9 1 . . . parsed_1t54 1
10 1 . . . parsed_1t54 1
11 1 . . . parsed_1t54 1
12 1 . . . parsed_1t54 1
13 1 . . . parsed_1t54 1
14 1 . . . parsed_1t54 1
15 1 . . . parsed_1t54 1
16 1 . . . parsed_1t54 1
17 1 . . . parsed_1t54 1
18 1 . . . parsed_1t54 1
19 1 . . . parsed_1t54 1
20 1 . . . parsed_1t54 1
21 1 . . . parsed_1t54 1
22 1 . . . parsed_1t54 1
23 1 . . . parsed_1t54 1
24 1 . . . parsed_1t54 1
25 1 . . . parsed_1t54 1
26 1 . . . parsed_1t54 1
27 1 . . . parsed_1t54 1
28 1 . . . parsed_1t54 1
29 1 . . . parsed_1t54 1
30 1 . . . parsed_1t54 1
31 1 . . . parsed_1t54 1
32 1 . . . parsed_1t54 1
33 1 . . . parsed_1t54 1
34 1 . . . parsed_1t54 1
35 1 . . . parsed_1t54 1
36 1 . . . parsed_1t54 1
37 1 . . . parsed_1t54 1
38 1 . . . parsed_1t54 1
39 1 . . . parsed_1t54 1
40 1 . . . parsed_1t54 1
41 1 . . . parsed_1t54 1
42 1 . . . parsed_1t54 1
43 1 . . . parsed_1t54 1
44 1 . . . parsed_1t54 1
45 1 . . . parsed_1t54 1
46 1 . . . parsed_1t54 1
47 1 . . . parsed_1t54 1
48 1 . . . parsed_1t54 1
49 1 . . . parsed_1t54 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 . . . . . . . . . 3 . HN parsed_1t54 1
1 1 2 . . . . . . . . . 4 . HN parsed_1t54 1
2 1 1 . . . . . . . . . 4 . HN parsed_1t54 1
2 1 2 . . . . . . . . . 5 . HN parsed_1t54 1
3 1 1 . . . . . . . . . 5 . HN parsed_1t54 1
3 1 2 . . . . . . . . . 6 . HN parsed_1t54 1
4 1 1 . . . . . . . . . 6 . HN parsed_1t54 1
4 1 2 . . . . . . . . . 7 . HN parsed_1t54 1
5 1 1 . . . . . . . . . 7 . HN parsed_1t54 1
5 1 2 . . . . . . . . . 8 . HN parsed_1t54 1
6 1 1 . . . . . . . . . 8 . HN parsed_1t54 1
6 1 2 . . . . . . . . . 9 . HN parsed_1t54 1
7 1 1 . . . . . . . . . 9 . HN parsed_1t54 1
7 1 2 . . . . . . . . . 10 . HN parsed_1t54 1
8 1 1 . . . . . . . . . 10 . HN parsed_1t54 1
8 1 2 . . . . . . . . . 11 . HN parsed_1t54 1
9 1 1 . . . . . . . . . 11 . HN parsed_1t54 1
9 1 2 . . . . . . . . . 12 . HN parsed_1t54 1
10 1 1 . . . . . . . . . 3 . HN parsed_1t54 1
10 1 2 . . . . . . . . . 2 . HA parsed_1t54 1
11 1 1 . . . . . . . . . 4 . HN parsed_1t54 1
11 1 2 . . . . . . . . . 3 . HA1 parsed_1t54 1
12 1 1 . . . . . . . . . 4 . HN parsed_1t54 1
12 1 2 . . . . . . . . . 3 . HA2 parsed_1t54 1
13 1 1 . . . . . . . . . 5 . HN parsed_1t54 1
13 1 2 . . . . . . . . . 4 . HA parsed_1t54 1
14 1 1 . . . . . . . . . 6 . HN parsed_1t54 1
14 1 2 . . . . . . . . . 5 . HA parsed_1t54 1
15 1 1 . . . . . . . . . 7 . HN parsed_1t54 1
15 1 2 . . . . . . . . . 6 . HA parsed_1t54 1
16 1 1 . . . . . . . . . 8 . HN parsed_1t54 1
16 1 2 . . . . . . . . . 7 . HA parsed_1t54 1
17 1 1 . . . . . . . . . 9 . HN parsed_1t54 1
17 1 2 . . . . . . . . . 8 . HA1 parsed_1t54 1
18 1 1 . . . . . . . . . 9 . HN parsed_1t54 1
18 1 2 . . . . . . . . . 8 . HA2 parsed_1t54 1
19 1 1 . . . . . . . . . 10 . HN parsed_1t54 1
19 1 2 . . . . . . . . . 9 . HA parsed_1t54 1
20 1 1 . . . . . . . . . 11 . HN parsed_1t54 1
20 1 2 . . . . . . . . . 10 . HA parsed_1t54 1
21 1 1 . . . . . . . . . 12 . HN parsed_1t54 1
21 1 2 . . . . . . . . . 11 . HA parsed_1t54 1
22 1 1 . . . . . . . . . 13 . HN parsed_1t54 1
22 1 2 . . . . . . . . . 12 . HA parsed_1t54 1
23 1 1 . . . . . . . . . 6 . HN parsed_1t54 1
23 1 2 . . . . . . . . . 4 . HA parsed_1t54 1
24 1 1 . . . . . . . . . 7 . HN parsed_1t54 1
24 1 2 . . . . . . . . . 5 . HA parsed_1t54 1
25 1 1 . . . . . . . . . 7 . HN parsed_1t54 1
25 1 2 . . . . . . . . . 4 . HA parsed_1t54 1
26 1 1 . . . . . . . . . 12 . HN parsed_1t54 1
26 1 2 . . . . . . . . . 9 . HA parsed_1t54 1
27 1 1 . . . . . . . . . 5 . HN parsed_1t54 1
27 1 2 . . . . . . . . . 4 . HB1 parsed_1t54 1
28 1 1 . . . . . . . . . 5 . HN parsed_1t54 1
28 1 2 . . . . . . . . . 4 . HB2 parsed_1t54 1
29 1 1 . . . . . . . . . 5 . HN parsed_1t54 1
29 1 2 . . . . . . . . . 4 . HG1 parsed_1t54 1
30 1 1 . . . . . . . . . 6 . HN parsed_1t54 1
30 1 2 . . . . . . . . . 5 . HB parsed_1t54 1
31 1 1 . . . . . . . . . 6 . HN parsed_1t54 1
31 1 2 . . . . . . . . . 5 . HG2# parsed_1t54 1
32 1 1 . . . . . . . . . 7 . HN parsed_1t54 1
32 1 2 . . . . . . . . . 6 . HB# parsed_1t54 1
33 1 1 . . . . . . . . . 8 . HN parsed_1t54 1
33 1 2 . . . . . . . . . 7 . HB1 parsed_1t54 1
34 1 1 . . . . . . . . . 8 . HN parsed_1t54 1
34 1 2 . . . . . . . . . 7 . HB2 parsed_1t54 1
35 1 1 . . . . . . . . . 9 . HN parsed_1t54 1
35 1 2 . . . . . . . . . 10 . HB2 parsed_1t54 1
36 1 1 . . . . . . . . . 10 . HN parsed_1t54 1
36 1 2 . . . . . . . . . 9 . HB parsed_1t54 1
37 1 1 . . . . . . . . . 10 . HN parsed_1t54 1
37 1 2 . . . . . . . . . 9 . HG12 parsed_1t54 1
38 1 1 . . . . . . . . . 10 . HN parsed_1t54 1
38 1 2 . . . . . . . . . 9 . HG2# parsed_1t54 1
39 1 1 . . . . . . . . . 10 . HN parsed_1t54 1
39 1 2 . . . . . . . . . 9 . HD1# parsed_1t54 1
40 1 1 . . . . . . . . . 11 . HN parsed_1t54 1
40 1 2 . . . . . . . . . 10 . HB1 parsed_1t54 1
41 1 1 . . . . . . . . . 11 . HN parsed_1t54 1
41 1 2 . . . . . . . . . 10 . HB2 parsed_1t54 1
42 1 1 . . . . . . . . . 12 . HN parsed_1t54 1
42 1 2 . . . . . . . . . 11 . HB# parsed_1t54 1
43 1 1 . . . . . . . . . 11 . HN parsed_1t54 1
43 1 2 . . . . . . . . . 12 . HB# parsed_1t54 1
44 1 1 . . . . . . . . . 12 . HB# parsed_1t54 1
44 1 2 . . . . . . . . . 13 . HE# parsed_1t54 1
45 1 1 . . . . . . . . . 12 . HD1# parsed_1t54 1
45 1 2 . . . . . . . . . 13 . HE# parsed_1t54 1
46 1 1 . . . . . . . . . 12 . HD2# parsed_1t54 1
46 1 2 . . . . . . . . . 13 . HE# parsed_1t54 1
47 1 1 . . . . . . . . . 9 . HN parsed_1t54 1
47 1 2 . . . . . . . . . 6 . HB# parsed_1t54 1
48 1 1 . . . . . . . . . 9 . HA parsed_1t54 1
48 1 2 . . . . . . . . . 13 . HE# parsed_1t54 1
49 1 1 . . . . . . . . . 9 . HG2# parsed_1t54 1
49 1 2 . . . . . . . . . 13 . HE# parsed_1t54 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 . . . . . 2.5 1.8 2.7 parsed_1t54 1
2 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
3 1 . . . . . 2.5 1.8 3.2 parsed_1t54 1
4 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
5 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
6 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
7 1 . . . . . 2.5 1.8 2.7 parsed_1t54 1
8 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
9 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
10 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
11 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
12 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
13 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
14 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
15 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
16 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
17 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
18 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
19 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
20 1 . . . . . 4.0 1.8 5.0 parsed_1t54 1
21 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
22 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
23 1 . . . . . 4.0 1.8 5.0 parsed_1t54 1
24 1 . . . . . 4.0 1.8 5.0 parsed_1t54 1
25 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
26 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
27 1 . . . . . 4.0 1.8 5.0 parsed_1t54 1
28 1 . . . . . 4.0 1.8 5.0 parsed_1t54 1
29 1 . . . . . 4.0 1.8 5.0 parsed_1t54 1
30 1 . . . . . 2.5 1.8 2.7 parsed_1t54 1
31 1 . . . . . 3.0 1.8 5.0 parsed_1t54 1
32 1 . . . . . 2.5 1.8 4.2 parsed_1t54 1
33 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
34 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
35 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
36 1 . . . . . 3.0 1.8 3.5 parsed_1t54 1
37 1 . . . . . 4.0 1.8 5.0 parsed_1t54 1
38 1 . . . . . 3.0 1.8 5.0 parsed_1t54 1
39 1 . . . . . 3.0 1.8 5.0 parsed_1t54 1
40 1 . . . . . 4.0 1.8 5.0 parsed_1t54 1
41 1 . . . . . 4.0 1.8 5.0 parsed_1t54 1
42 1 . . . . . 3.0 1.8 4.5 parsed_1t54 1
43 1 . . . . . 4.0 1.8 6.0 parsed_1t54 1
44 1 . . . . . 4.0 1.8 7.0 parsed_1t54 1
45 1 . . . . . 4.0 1.8 7.0 parsed_1t54 1
46 1 . . . . . 4.0 1.8 7.0 parsed_1t54 1
47 1 . . . . . 4.0 1.8 6.0 parsed_1t54 1
48 1 . . . . . 4.0 1.8 7.0 parsed_1t54 1
49 1 . . . . . 4.0 1.8 7.0 parsed_1t54 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
;
NH-NH NOEs
i-i+1
;
3 1 4 8 parsed_1t54 1
2 S 5 77 5 79 parsed_1t54 1
3 M 6 77 6 79 parsed_1t54 1
4 S+ 7 77 7 80 parsed_1t54 1
5 M 8 77 8 79 parsed_1t54 1
6 M 9 77 9 79 parsed_1t54 1
7 M 10 77 10 79 parsed_1t54 1
8 S 11 77 11 79 parsed_1t54 1
9 S 12 77 12 79 parsed_1t54 1
10
;
S
CaH-NH NOEs
i-i+1
;
13 77 17 8 parsed_1t54 1
11 M 18 77 18 79 parsed_1t54 1
12 M 19 77 19 79 parsed_1t54 1
13 M 20 77 20 79 parsed_1t54 1
14 M 21 77 21 80 parsed_1t54 1
15 M 22 77 22 79 parsed_1t54 1
16 M 23 77 23 80 parsed_1t54 1
17 M 24 77 24 79 parsed_1t54 1
18 M 25 77 25 79 parsed_1t54 1
19 M 26 77 26 79 parsed_1t54 1
20 M 27 77 27 79 parsed_1t54 1
21 W 28 77 28 79 parsed_1t54 1
22 M 29 77 29 79 parsed_1t54 1
23
;
M
i-i+2
;
30 77 32 8 parsed_1t54 1
24 W 33 77 33 79 parsed_1t54 1
25
;
W
i-i+3
;
34 77 36 8 parsed_1t54 1
26 M 37 77 37 79 parsed_1t54 1
27
;
M
NH-Cb/Cg/CdH(sequential)
i-i+1
;
38 77 42 8 parsed_1t54 1
28 W 43 77 43 79 parsed_1t54 1
29 W 44 77 44 79 parsed_1t54 1
30 W 45 77 45 79 parsed_1t54 1
31 S 46 77 46 79 parsed_1t54 1
32 M 47 77 47 79 parsed_1t54 1
33 Sr 48 77 48 80 parsed_1t54 1
34 M 49 77 49 79 parsed_1t54 1
35 M 50 77 50 79 parsed_1t54 1
36 M 51 77 51 79 parsed_1t54 1
37 M 52 77 52 79 parsed_1t54 1
38 W 53 77 53 79 parsed_1t54 1
39 M 54 77 54 79 parsed_1t54 1
40 M 55 77 55 79 parsed_1t54 1
41 W 56 77 56 79 parsed_1t54 1
42 W 57 77 57 79 parsed_1t54 1
43 M 58 77 58 79 parsed_1t54 1
44 W 59 77 59 79 parsed_1t54 1
45 W 60 77 60 79 parsed_1t54 1
46 W 61 77 61 79 parsed_1t54 1
47
;
W
i-i+3
;
62 77 65 8 parsed_1t54 1
48
;
W
i-i+4
;
66 77 69 8 parsed_1t54 1
49 W 70 77 70 79 parsed_1t54 1
50 W 71 77 71 79 parsed_1t54 1
51 "message=on echo=on" 74 1 74 26 parsed_1t54 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 2:10:42 AM GMT (wattos1)