NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
456445 |
2kuh   |
16764 | cing | 2-parsed | STAR | distance | general distance | simple | 37 |
data_2kuh_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kuh
_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_2kuh 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kuh
_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 2kuh "Master copy" parsed_2kuh
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kuh
_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 2kuh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kuh 1
1 2kuh.mr . . XPLOR/CNS 2 distance NOE simple 50 parsed_2kuh 1
1 2kuh.mr . . XPLOR/CNS 3 distance NOE simple 818 parsed_2kuh 1
1 2kuh.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 46 parsed_2kuh 1
1 2kuh.mr . . XPLOR/CNS 5 distance "general distance" simple 37 parsed_2kuh 1
1 2kuh.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kuh 1
1 2kuh.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kuh 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kuh
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_2kuh 1
2 1 . . . parsed_2kuh 1
3 1 . . . parsed_2kuh 1
4 1 . . . parsed_2kuh 1
5 1 . . . parsed_2kuh 1
6 1 . . . parsed_2kuh 1
7 1 . . . parsed_2kuh 1
8 1 . . . parsed_2kuh 1
9 1 . . . parsed_2kuh 1
10 1 . . . parsed_2kuh 1
11 1 . . . parsed_2kuh 1
12 1 . . . parsed_2kuh 1
13 1 . . . parsed_2kuh 1
14 1 . . . parsed_2kuh 1
15 1 . . . parsed_2kuh 1
16 1 . . . parsed_2kuh 1
17 1 . . . parsed_2kuh 1
18 1 . . . parsed_2kuh 1
19 1 . . . parsed_2kuh 1
20 1 . . . parsed_2kuh 1
21 1 . . . parsed_2kuh 1
22 1 . . . parsed_2kuh 1
23 1 . . . parsed_2kuh 1
24 1 . . . parsed_2kuh 1
25 1 . . . parsed_2kuh 1
26 1 . . . parsed_2kuh 1
27 1 . . . parsed_2kuh 1
28 1 . . . parsed_2kuh 1
29 1 . . . parsed_2kuh 1
30 1 . . . parsed_2kuh 1
31 1 . . . parsed_2kuh 1
32 1 . . . parsed_2kuh 1
33 1 . . . parsed_2kuh 1
34 1 . . . parsed_2kuh 1
35 1 . . . parsed_2kuh 1
36 1 . . . parsed_2kuh 1
37 1 . . . parsed_2kuh 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 . . . . . . . . A 99 . O parsed_2kuh 1
1 1 2 . . . . . . . . A 104 . OE1 parsed_2kuh 1
2 1 1 . . . . . . . . A 97 . OD1 parsed_2kuh 1
2 1 2 . . . . . . . . A 95 . OD1 parsed_2kuh 1
3 1 1 . . . . . . . . A 97 . OD1 parsed_2kuh 1
3 1 2 . . . . . . . . A 93 . OD1 parsed_2kuh 1
4 1 1 . . . . . . . . A 95 . OD1 parsed_2kuh 1
4 1 2 . . . . . . . . A 104 . OE2 parsed_2kuh 1
5 1 1 . . . . . . . . A 95 . OD1 parsed_2kuh 1
5 1 2 . . . . . . . . A 93 . OD1 parsed_2kuh 1
6 1 1 . . . . . . . . A 93 . OD1 parsed_2kuh 1
6 1 2 . . . . . . . . A 104 . OE2 parsed_2kuh 1
7 1 1 . . . . . . . . A 93 . OD1 parsed_2kuh 1
7 1 2 . . . . . . . . A 104 . OE1 parsed_2kuh 1
8 1 1 . . . . . . . . A 93 . OD1 parsed_2kuh 1
8 1 2 . . . . . . . . A 99 . O parsed_2kuh 1
9 1 1 . . . . . . . . A 104 . OE2 parsed_2kuh 1
9 1 2 . . . . . . . . A 99 . O parsed_2kuh 1
10 1 1 . . . . . . . . C 992 . CA parsed_2kuh 1
10 1 2 . . . . . . . . A 99 . O parsed_2kuh 1
11 1 1 . . . . . . . . C 992 . CA parsed_2kuh 1
11 1 2 . . . . . . . . A 99 . C parsed_2kuh 1
12 1 1 . . . . . . . . C 992 . CA parsed_2kuh 1
12 1 2 . . . . . . . . A 104 . OE1 parsed_2kuh 1
13 1 1 . . . . . . . . C 992 . CA parsed_2kuh 1
13 1 2 . . . . . . . . A 104 . OE2 parsed_2kuh 1
14 1 1 . . . . . . . . C 992 . CA parsed_2kuh 1
14 1 2 . . . . . . . . A 95 . OD1 parsed_2kuh 1
15 1 1 . . . . . . . . C 992 . CA parsed_2kuh 1
15 1 2 . . . . . . . . A 97 . OD1 parsed_2kuh 1
16 1 1 . . . . . . . . C 992 . CA parsed_2kuh 1
16 1 2 . . . . . . . . A 93 . OD1 parsed_2kuh 1
17 1 1 . . . . . . . . A 99 . C parsed_2kuh 1
17 1 2 . . . . . . . . A 104 . OE1 parsed_2kuh 1
18 1 1 . . . . . . . . A 135 . C parsed_2kuh 1
18 1 2 . . . . . . . . A 140 . OE1 parsed_2kuh 1
19 1 1 . . . . . . . . A 140 . OE2 parsed_2kuh 1
19 1 2 . . . . . . . . A 129 . OD1 parsed_2kuh 1
20 1 1 . . . . . . . . A 140 . OE2 parsed_2kuh 1
20 1 2 . . . . . . . . A 131 . OD1 parsed_2kuh 1
21 1 1 . . . . . . . . A 140 . OE2 parsed_2kuh 1
21 1 2 . . . . . . . . A 135 . O parsed_2kuh 1
22 1 1 . . . . . . . . A 140 . OE1 parsed_2kuh 1
22 1 2 . . . . . . . . A 129 . OD1 parsed_2kuh 1
23 1 1 . . . . . . . . A 140 . OE1 parsed_2kuh 1
23 1 2 . . . . . . . . A 131 . OD1 parsed_2kuh 1
24 1 1 . . . . . . . . A 135 . O parsed_2kuh 1
24 1 2 . . . . . . . . A 140 . OE1 parsed_2kuh 1
25 1 1 . . . . . . . . A 135 . O parsed_2kuh 1
25 1 2 . . . . . . . . A 133 . OD1 parsed_2kuh 1
26 1 1 . . . . . . . . A 135 . O parsed_2kuh 1
26 1 2 . . . . . . . . A 131 . OD1 parsed_2kuh 1
27 1 1 . . . . . . . . A 135 . O parsed_2kuh 1
27 1 2 . . . . . . . . A 129 . OD1 parsed_2kuh 1
28 1 1 . . . . . . . . A 133 . OD1 parsed_2kuh 1
28 1 2 . . . . . . . . A 131 . OD1 parsed_2kuh 1
29 1 1 . . . . . . . . A 133 . OD1 parsed_2kuh 1
29 1 2 . . . . . . . . A 129 . OD1 parsed_2kuh 1
30 1 1 . . . . . . . . A 131 . OD1 parsed_2kuh 1
30 1 2 . . . . . . . . A 129 . OD1 parsed_2kuh 1
31 1 1 . . . . . . . . C 993 . CA parsed_2kuh 1
31 1 2 . . . . . . . . A 135 . O parsed_2kuh 1
32 1 1 . . . . . . . . C 993 . CA parsed_2kuh 1
32 1 2 . . . . . . . . A 135 . C parsed_2kuh 1
33 1 1 . . . . . . . . C 993 . CA parsed_2kuh 1
33 1 2 . . . . . . . . A 140 . OE1 parsed_2kuh 1
34 1 1 . . . . . . . . C 993 . CA parsed_2kuh 1
34 1 2 . . . . . . . . A 140 . OE2 parsed_2kuh 1
35 1 1 . . . . . . . . C 993 . CA parsed_2kuh 1
35 1 2 . . . . . . . . A 133 . OD1 parsed_2kuh 1
36 1 1 . . . . . . . . C 993 . CA parsed_2kuh 1
36 1 2 . . . . . . . . A 131 . OD1 parsed_2kuh 1
37 1 1 . . . . . . . . C 993 . CA parsed_2kuh 1
37 1 2 . . . . . . . . A 129 . OD1 parsed_2kuh 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 . . . . . 2.92 2.42 3.42 parsed_2kuh 1
2 1 . . . . . 2.97 2.47 3.47 parsed_2kuh 1
3 1 . . . . . 3.42 2.92 3.92 parsed_2kuh 1
4 1 . . . . . 2.88 2.38 3.38 parsed_2kuh 1
5 1 . . . . . 3.04 2.54 3.54 parsed_2kuh 1
6 1 . . . . . 3.52 3.02 4.02 parsed_2kuh 1
7 1 . . . . . 3.91 3.41 4.41 parsed_2kuh 1
8 1 . . . . . 3.23 2.73 3.73 parsed_2kuh 1
9 1 . . . . . 4.27 3.77 4.77 parsed_2kuh 1
10 1 . . . . . 2.35 2.15 2.55 parsed_2kuh 1
11 1 . . . . . 3.54 3.34 3.74 parsed_2kuh 1
12 1 . . . . . 2.43 2.23 2.63 parsed_2kuh 1
13 1 . . . . . 2.38 2.18 2.58 parsed_2kuh 1
14 1 . . . . . 2.50 2.30 2.70 parsed_2kuh 1
15 1 . . . . . 2.40 2.20 2.60 parsed_2kuh 1
16 1 . . . . . 2.40 2.20 2.60 parsed_2kuh 1
17 1 . . . . . 3.89 3.39 4.39 parsed_2kuh 1
18 1 . . . . . 3.92 3.42 4.42 parsed_2kuh 1
19 1 . . . . . 3.15 2.65 3.65 parsed_2kuh 1
20 1 . . . . . 2.67 2.17 3.17 parsed_2kuh 1
21 1 . . . . . 4.36 3.86 4.86 parsed_2kuh 1
22 1 . . . . . 3.62 3.12 4.12 parsed_2kuh 1
23 1 . . . . . 4.36 3.86 4.86 parsed_2kuh 1
24 1 . . . . . 2.89 2.39 3.39 parsed_2kuh 1
25 1 . . . . . 3.00 2.50 3.50 parsed_2kuh 1
26 1 . . . . . 4.27 3.77 4.77 parsed_2kuh 1
27 1 . . . . . 3.18 2.68 3.68 parsed_2kuh 1
28 1 . . . . . 2.75 2.25 3.25 parsed_2kuh 1
29 1 . . . . . 3.34 2.84 3.84 parsed_2kuh 1
30 1 . . . . . 2.62 2.12 3.12 parsed_2kuh 1
31 1 . . . . . 2.30 2.10 2.50 parsed_2kuh 1
32 1 . . . . . 3.52 3.32 3.72 parsed_2kuh 1
33 1 . . . . . 2.55 2.35 2.75 parsed_2kuh 1
34 1 . . . . . 2.40 2.20 2.60 parsed_2kuh 1
35 1 . . . . . 2.37 2.17 2.57 parsed_2kuh 1
36 1 . . . . . 2.30 2.10 2.50 parsed_2kuh 1
37 1 . . . . . 2.20 2.00 2.40 parsed_2kuh 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
;
Ca-coordination geometry constraints:
assign (segid A and resid 97 and name OD1 )
(segid A and resid 99 and name O ) 3.17 0.50 0.50
;
1 1 4 72 parsed_2kuh 1
stop_
save_
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