NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
36685 |
1o4x   |
cing | 2-parsed | STAR | distance | NOE | ambi | 47 |
data_1o4x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1o4x
_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_1o4x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1o4x
_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 1o4x "Master copy" parsed_1o4x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1o4x
_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 1o4x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 139 parsed_1o4x 1
1 1o4x.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 204 parsed_1o4x 1
1 1o4x.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 7 distance NOE ambi 16 parsed_1o4x 1
1 1o4x.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 9 distance NOE ambi 47 parsed_1o4x 1
1 1o4x.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 11 distance NOE simple 0 parsed_1o4x 1
1 1o4x.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 17 distance "general distance" simple 0 parsed_1o4x 1
1 1o4x.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 19 distance "general distance" simple 0 parsed_1o4x 1
1 1o4x.mr . . n/a 20 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 21 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 22 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 23 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 24 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 25 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 26 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 27 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . "MR format" 28 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1o4x 1
stop_
save_
save_CNS/XPLOR_distance_constraints_9
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1o4x
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 9
_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_1o4x 1
2 1 . . . parsed_1o4x 1
3 1 . . . parsed_1o4x 1
4 1 . . . parsed_1o4x 1
5 1 . . . parsed_1o4x 1
6 1 . . . parsed_1o4x 1
7 1 . . . parsed_1o4x 1
8 1 . . . parsed_1o4x 1
9 1 . . . parsed_1o4x 1
10 1 . . . parsed_1o4x 1
11 1 . . . parsed_1o4x 1
12 1 . . . parsed_1o4x 1
13 1 . . . parsed_1o4x 1
14 1 . . . parsed_1o4x 1
15 1 . . . parsed_1o4x 1
16 1 . . . parsed_1o4x 1
17 1 . . . parsed_1o4x 1
18 1 . . . parsed_1o4x 1
19 1 . . . parsed_1o4x 1
20 1 . . . parsed_1o4x 1
21 1 . . . parsed_1o4x 1
22 1 . . . parsed_1o4x 1
23 1 . . . parsed_1o4x 1
24 1 . . . parsed_1o4x 1
25 1 . . . parsed_1o4x 1
26 1 . . . parsed_1o4x 1
27 1 . . . parsed_1o4x 1
28 1 . . . parsed_1o4x 1
29 1 . . . parsed_1o4x 1
30 1 . . . parsed_1o4x 1
31 1 . . . parsed_1o4x 1
32 1 . . . parsed_1o4x 1
33 1 . . . parsed_1o4x 1
34 1 . . . parsed_1o4x 1
35 1 . . . parsed_1o4x 1
36 1 . . . parsed_1o4x 1
37 1 . . . parsed_1o4x 1
38 1 . . . parsed_1o4x 1
39 1 . . . parsed_1o4x 1
40 1 . . . parsed_1o4x 1
41 1 . . . parsed_1o4x 1
42 1 . . . parsed_1o4x 1
43 1 . . . parsed_1o4x 1
44 1 . . . parsed_1o4x 1
45 1 . . . parsed_1o4x 1
46 1 . . . parsed_1o4x 1
47 1 . . . parsed_1o4x 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 . . . . . . . . . 209 . HB# parsed_1o4x 1
1 1 2 . . . . . . . . . 332 . H3' parsed_1o4x 1
2 1 1 . . . . . . . . . 212 . HE# parsed_1o4x 1
2 1 2 . . . . . . . . . 333 . H4' parsed_1o4x 1
3 1 1 . . . . . . . . . 212 . HE# parsed_1o4x 1
3 1 2 . . . . . . . . . 333 . H5' parsed_1o4x 1
3 1 2 . . . . . . . . . 333 . H5'' parsed_1o4x 1
4 1 1 . . . . . . . . . 212 . HE# parsed_1o4x 1
4 1 2 . . . . . . . . . 333 . H3' parsed_1o4x 1
5 1 1 . . . . . . . . . 212 . HE# parsed_1o4x 1
5 1 2 . . . . . . . . . 333 . H1' parsed_1o4x 1
6 1 1 . . . . . . . . . 212 . HA parsed_1o4x 1
6 1 2 . . . . . . . . . 332 . H1' parsed_1o4x 1
7 1 1 . . . . . . . . . 213 . HB# parsed_1o4x 1
7 1 2 . . . . . . . . . 308 . H4' parsed_1o4x 1
8 1 1 . . . . . . . . . 213 . HB# parsed_1o4x 1
8 1 2 . . . . . . . . . 309 . H4' parsed_1o4x 1
9 1 1 . . . . . . . . . 214 . HB# parsed_1o4x 1
9 1 2 . . . . . . . . . 308 . H4' parsed_1o4x 1
10 1 1 . . . . . . . . . 214 . HB# parsed_1o4x 1
10 1 2 . . . . . . . . . 308 . H5' parsed_1o4x 1
10 1 2 . . . . . . . . . 308 . H5'' parsed_1o4x 1
11 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 1
11 1 2 . . . . . . . . . 333 . H2 parsed_1o4x 1
12 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 1
12 1 2 . . . . . . . . . 332 . H2 parsed_1o4x 1
13 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 1
13 1 2 . . . . . . . . . 333 . H1' parsed_1o4x 1
14 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 1
14 1 2 . . . . . . . . . 332 . H1' parsed_1o4x 1
15 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 1
15 1 2 . . . . . . . . . 332 . H2' parsed_1o4x 1
16 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 1
16 1 2 . . . . . . . . . 332 . H2'' parsed_1o4x 1
17 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 1
17 1 2 . . . . . . . . . 333 . H4' parsed_1o4x 1
18 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 1
18 1 2 . . . . . . . . . 333 . H5' parsed_1o4x 1
18 1 2 . . . . . . . . . 333 . H5'' parsed_1o4x 1
19 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 1
19 1 2 . . . . . . . . . 333 . H8 parsed_1o4x 1
20 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 1
20 1 2 . . . . . . . . . 332 . H8 parsed_1o4x 1
21 1 1 . . . . . . . . . 216 . HA parsed_1o4x 1
21 1 2 . . . . . . . . . 332 . H2 parsed_1o4x 1
22 1 1 . . . . . . . . . 216 . HB# parsed_1o4x 1
22 1 2 . . . . . . . . . 332 . H2 parsed_1o4x 1
23 1 1 . . . . . . . . . 216 . he# parsed_1o4x 1
23 1 2 . . . . . . . . . 307 . h3 parsed_1o4x 1
24 1 1 . . . . . . . . . 216 . he# parsed_1o4x 1
24 1 2 . . . . . . . . . 306 . h3 parsed_1o4x 1
25 1 1 . . . . . . . . . 220 . HD# parsed_1o4x 1
25 1 2 . . . . . . . . . 333 . H4' parsed_1o4x 1
26 1 1 . . . . . . . . . 220 . HD# parsed_1o4x 1
26 1 2 . . . . . . . . . 333 . H3' parsed_1o4x 1
27 1 1 . . . . . . . . . 220 . HD# parsed_1o4x 1
27 1 2 . . . . . . . . . 333 . H1' parsed_1o4x 1
28 1 1 . . . . . . . . . 220 . HB# parsed_1o4x 1
28 1 2 . . . . . . . . . 333 . H1' parsed_1o4x 1
28 1 2 . . . . . . . . . 334 . H1' parsed_1o4x 1
29 1 1 . . . . . . . . . 220 . HB# parsed_1o4x 1
29 1 2 . . . . . . . . . 333 . H3' parsed_1o4x 1
29 1 2 . . . . . . . . . 334 . H3' parsed_1o4x 1
30 1 1 . . . . . . . . . 220 . HB# parsed_1o4x 1
30 1 2 . . . . . . . . . 334 . H4' parsed_1o4x 1
31 1 1 . . . . . . . . . 220 . HA parsed_1o4x 1
31 1 2 . . . . . . . . . 333 . H1' parsed_1o4x 1
31 1 2 . . . . . . . . . 334 . H1' parsed_1o4x 1
32 1 1 . . . . . . . . . 220 . HG# parsed_1o4x 1
32 1 2 . . . . . . . . . 333 . H4' parsed_1o4x 1
33 1 1 . . . . . . . . . 220 . HG# parsed_1o4x 1
33 1 2 . . . . . . . . . 333 . H3' parsed_1o4x 1
34 1 1 . . . . . . . . . 238 . HG2# parsed_1o4x 1
34 1 2 . . . . . . . . . 334 . H1' parsed_1o4x 1
35 1 1 . . . . . . . . . 238 . HD1# parsed_1o4x 1
35 1 2 . . . . . . . . . 334 . H2 parsed_1o4x 1
36 1 1 . . . . . . . . . 240 . HA parsed_1o4x 1
36 1 2 . . . . . . . . . 306 . H4' parsed_1o4x 1
37 1 1 . . . . . . . . . 240 . HB# parsed_1o4x 1
37 1 2 . . . . . . . . . 306 . H4' parsed_1o4x 1
38 1 1 . . . . . . . . . 246 . HD1 parsed_1o4x 1
38 1 2 . . . . . . . . . 307 . H5' parsed_1o4x 1
38 1 2 . . . . . . . . . 307 . H5'' parsed_1o4x 1
39 1 1 . . . . . . . . . 246 . HD1 parsed_1o4x 1
39 1 2 . . . . . . . . . 307 . H4' parsed_1o4x 1
40 1 1 . . . . . . . . . 246 . HZ2 parsed_1o4x 1
40 1 2 . . . . . . . . . 308 . H4' parsed_1o4x 1
40 1 2 . . . . . . . . . 308 . H5' parsed_1o4x 1
40 1 2 . . . . . . . . . 308 . H5'' parsed_1o4x 1
41 1 1 . . . . . . . . . 247 . HA parsed_1o4x 1
41 1 2 . . . . . . . . . 307 . H4' parsed_1o4x 1
42 1 1 . . . . . . . . . 277 . HE* parsed_1o4x 1
42 1 2 . . . . . . . . . 330 . H2 parsed_1o4x 1
43 1 1 . . . . . . . . . 277 . HD* parsed_1o4x 1
43 1 2 . . . . . . . . . 330 . H2 parsed_1o4x 1
44 1 1 . . . . . . . . . 279 . HB# parsed_1o4x 1
44 1 2 . . . . . . . . . 330 . H4' parsed_1o4x 1
45 1 1 . . . . . . . . . 279 . HB# parsed_1o4x 1
45 1 2 . . . . . . . . . 330 . H1' parsed_1o4x 1
46 1 1 . . . . . . . . . 281 . HA parsed_1o4x 1
46 1 2 . . . . . . . . . 330 . H3' parsed_1o4x 1
47 1 1 . . . . . . . . . 265 . nh* parsed_1o4x 1
47 1 2 . . . . . . . . . 309 . o*p parsed_1o4x 1
47 1 2 . . . . . . . . . 310 . o*p parsed_1o4x 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 . . . . . 4.0 2.8 5.0 parsed_1o4x 1
2 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
3 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
4 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 1
5 1 . . . . . 4.0 1.8 6.5 parsed_1o4x 1
6 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
7 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
8 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 1
9 1 . . . . . 4.0 1.8 6.5 parsed_1o4x 1
10 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
11 1 . . . . . 3.0 1.8 4.0 parsed_1o4x 1
12 1 . . . . . 3.0 1.8 4.0 parsed_1o4x 1
13 1 . . . . . 3.0 1.8 4.0 parsed_1o4x 1
14 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
15 1 . . . . . 3.0 1.8 3.5 parsed_1o4x 1
16 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
17 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
18 1 . . . . . 4.0 1.8 6.5 parsed_1o4x 1
19 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 1
20 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 1
21 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 1
22 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
23 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 1
24 1 . . . . . 3.0 1.8 4.5 parsed_1o4x 1
25 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
26 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 1
27 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 1
28 1 . . . . . 4.0 1.8 7.5 parsed_1o4x 1
29 1 . . . . . 4.0 1.8 7.5 parsed_1o4x 1
30 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 1
31 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 1
32 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
33 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 1
34 1 . . . . . 4.0 1.8 7.5 parsed_1o4x 1
35 1 . . . . . 4.0 1.8 7.5 parsed_1o4x 1
36 1 . . . . . 2.5 1.8 2.7 parsed_1o4x 1
37 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
38 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
39 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
40 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
41 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 1
42 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
43 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 1
44 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
45 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
46 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 1
47 1 . . . . . 6.0 2.0 6.1 parsed_1o4x 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 "LYS 209" 1 1 2 10 parsed_1o4x 1
2 "MET 212" 4 1 5 10 parsed_1o4x 1
3 "ASN 213" 11 1 12 9 parsed_1o4x 1
4 "ALA 214" 15 1 16 9 parsed_1o4x 1
5 "MET 216" 19 1 20 9 parsed_1o4x 1
6 "ARG 220" 36 1 37 9 parsed_1o4x 1
7
;
ARG 223
ARG 224
ILE 238
;
47 1 51 9 parsed_1o4x 1
8 "LYS 240" 54 1 55 9 parsed_1o4x 1
9 "TRP 246" 58 1 59 9 parsed_1o4x 1
10 "LYS 247" 63 1 64 9 parsed_1o4x 1
11 "TYR 277" 66 1 67 9 parsed_1o4x 1
12 "PRO 279" 70 1 71 9 parsed_1o4x 1
13 "ARG 281" 74 1 75 10 parsed_1o4x 1
14 R265 81 1 81 6 parsed_1o4x 1
stop_
save_
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