NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
53728 |
2rp0   |
cing | 2-parsed | STAR | distance | NOE | simple | 33 |
data_2rp0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rp0
_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_2rp0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rp0
_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 2rp0 "Master copy" parsed_2rp0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rp0
_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 2rp0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rp0 1
1 2rp0.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 81 parsed_2rp0 1
1 2rp0.mr . . XPLOR/CNS 3 distance NOE simple 33 parsed_2rp0 1
1 2rp0.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2rp0 1
1 2rp0.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2rp0 1
1 2rp0.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2rp0 1
1 2rp0.mr . . XPLOR/CNS 7 planarity "Not applicable" "Not applicable" 0 parsed_2rp0 1
1 2rp0.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2rp0 1
1 2rp0.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rp0 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2rp0
_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_2rp0 1
2 1 . . . parsed_2rp0 1
3 1 . . . parsed_2rp0 1
4 1 . . . parsed_2rp0 1
5 1 . . . parsed_2rp0 1
6 1 . . . parsed_2rp0 1
7 1 . . . parsed_2rp0 1
8 1 . . . parsed_2rp0 1
9 1 . . . parsed_2rp0 1
10 1 . . . parsed_2rp0 1
11 1 . . . parsed_2rp0 1
12 1 . . . parsed_2rp0 1
13 1 . . . parsed_2rp0 1
14 1 . . . parsed_2rp0 1
15 1 . . . parsed_2rp0 1
16 1 . . . parsed_2rp0 1
17 1 . . . parsed_2rp0 1
18 1 . . . parsed_2rp0 1
19 1 . . . parsed_2rp0 1
20 1 . . . parsed_2rp0 1
21 1 . . . parsed_2rp0 1
22 1 . . . parsed_2rp0 1
23 1 . . . parsed_2rp0 1
24 1 . . . parsed_2rp0 1
25 1 . . . parsed_2rp0 1
26 1 . . . parsed_2rp0 1
27 1 . . . parsed_2rp0 1
28 1 . . . parsed_2rp0 1
29 1 . . . parsed_2rp0 1
30 1 . . . parsed_2rp0 1
31 1 . . . parsed_2rp0 1
32 1 . . . parsed_2rp0 1
33 1 . . . parsed_2rp0 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 . . . . . . . . . 5 . H4# parsed_2rp0 1
1 1 2 . . . . . . . . . 17 . H1 parsed_2rp0 1
2 1 1 . . . . . . . . . 5 . H5 parsed_2rp0 1
2 1 2 . . . . . . . . . 18 . H1 parsed_2rp0 1
3 1 1 . . . . . . . . . 18 . H1 parsed_2rp0 1
3 1 2 . . . . . . . . . 19 . H1' parsed_2rp0 1
4 1 1 . . . . . . . . . 6 . H4# parsed_2rp0 1
4 1 2 . . . . . . . . . 7 . H1 parsed_2rp0 1
5 1 1 . . . . . . . . . 6 . H5 parsed_2rp0 1
5 1 2 . . . . . . . . . 18 . H1 parsed_2rp0 1
6 1 1 . . . . . . . . . 17 . H1 parsed_2rp0 1
6 1 2 . . . . . . . . . 18 . H1' parsed_2rp0 1
7 1 1 . . . . . . . . . 16 . H1' parsed_2rp0 1
7 1 2 . . . . . . . . . 7 . H1 parsed_2rp0 1
8 1 1 . . . . . . . . . 15 . H1' parsed_2rp0 1
8 1 2 . . . . . . . . . 9 . H3 parsed_2rp0 1
9 1 1 . . . . . . . . . 15 . H5 parsed_2rp0 1
9 1 2 . . . . . . . . . 8 . H1 parsed_2rp0 1
10 1 1 . . . . . . . . . 15 . HO2' parsed_2rp0 1
10 1 2 . . . . . . . . . 28 . H1 parsed_2rp0 1
11 1 1 . . . . . . . . . 15 . HO2' parsed_2rp0 1
11 1 2 . . . . . . . . . 28 . H1 parsed_2rp0 1
12 1 1 . . . . . . . . . 9 . H5 parsed_2rp0 1
12 1 2 . . . . . . . . . 8 . H1 parsed_2rp0 1
13 1 1 . . . . . . . . . 9 . H5 parsed_2rp0 1
13 1 2 . . . . . . . . . 10 . H3 parsed_2rp0 1
14 1 1 . . . . . . . . . 27 . H2 parsed_2rp0 1
14 1 2 . . . . . . . . . 28 . H1 parsed_2rp0 1
15 1 1 . . . . . . . . . 27 . H6# parsed_2rp0 1
15 1 2 . . . . . . . . . 10 . H3 parsed_2rp0 1
16 1 1 . . . . . . . . . 27 . H6# parsed_2rp0 1
16 1 2 . . . . . . . . . 10 . H4# parsed_2rp0 1
17 1 1 . . . . . . . . . 27 . H6# parsed_2rp0 1
17 1 2 . . . . . . . . . 10 . H4# parsed_2rp0 1
18 1 1 . . . . . . . . . 27 . H6# parsed_2rp0 1
18 1 2 . . . . . . . . . 28 . H1 parsed_2rp0 1
19 1 1 . . . . . . . . . 27 . H8 parsed_2rp0 1
19 1 2 . . . . . . . . . 10 . H4# parsed_2rp0 1
20 1 1 . . . . . . . . . 26 . H2 parsed_2rp0 1
20 1 2 . . . . . . . . . 8 . H1 parsed_2rp0 1
21 1 1 . . . . . . . . . 26 . H2 parsed_2rp0 1
21 1 2 . . . . . . . . . 9 . H3 parsed_2rp0 1
22 1 1 . . . . . . . . . 26 . H2 parsed_2rp0 1
22 1 2 . . . . . . . . . 15 . HO2' parsed_2rp0 1
23 1 1 . . . . . . . . . 26 . H2 parsed_2rp0 1
23 1 2 . . . . . . . . . 16 . HO2' parsed_2rp0 1
24 1 1 . . . . . . . . . 13 . H4# parsed_2rp0 1
24 1 2 . . . . . . . . . 10 . H3 parsed_2rp0 1
25 1 1 . . . . . . . . . 28 . H2# parsed_2rp0 1
25 1 2 . . . . . . . . . 15 . HO2' parsed_2rp0 1
26 1 1 . . . . . . . . . 13 . H4# parsed_2rp0 1
26 1 2 . . . . . . . . . 8 . H1 parsed_2rp0 1
27 1 1 . . . . . . . . . 28 . H2# parsed_2rp0 1
27 1 2 . . . . . . . . . 15 . HO2' parsed_2rp0 1
28 1 1 . . . . . . . . . 13 . H4# parsed_2rp0 1
28 1 2 . . . . . . . . . 29 . H3 parsed_2rp0 1
29 1 1 . . . . . . . . . 12 . H2 parsed_2rp0 1
29 1 2 . . . . . . . . . 28 . H1 parsed_2rp0 1
30 1 1 . . . . . . . . . 12 . H6# parsed_2rp0 1
30 1 2 . . . . . . . . . 10 . H3 parsed_2rp0 1
31 1 1 . . . . . . . . . 29 . H1' parsed_2rp0 1
31 1 2 . . . . . . . . . 29 . H3 parsed_2rp0 1
32 1 1 . . . . . . . . . 29 . H5 parsed_2rp0 1
32 1 2 . . . . . . . . . 11 . H1 parsed_2rp0 1
33 1 1 . . . . . . . . . 30 . H5 parsed_2rp0 1
33 1 2 . . . . . . . . . 11 . H1 parsed_2rp0 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 . . . . . 5.00 4.00 6.50 parsed_2rp0 1
2 1 . . . . . 4.55 3.55 5.05 parsed_2rp0 1
3 1 . . . . . 5.00 3.50 6.50 parsed_2rp0 1
4 1 . . . . . 5.00 3.50 6.00 parsed_2rp0 1
5 1 . . . . . 4.59 3.59 5.09 parsed_2rp0 1
6 1 . . . . . 4.00 3.00 5.50 parsed_2rp0 1
7 1 . . . . . 5.00 4.00 5.50 parsed_2rp0 1
8 1 . . . . . 5.5 3.0 7.5 parsed_2rp0 1
9 1 . . . . . 5.0 4.0 6.0 parsed_2rp0 1
10 1 . . . . . 5.00 4.00 6.00 parsed_2rp0 1
11 1 . . . . . 4.50 3.50 5.50 parsed_2rp0 1
12 1 . . . . . 4.5 3.0 6.0 parsed_2rp0 1
13 1 . . . . . 5.23 3.23 7.23 parsed_2rp0 1
14 1 . . . . . 5.0 3.5 6.5 parsed_2rp0 1
15 1 . . . . . 5.33 4.33 5.83 parsed_2rp0 1
16 1 . . . . . 5.32 4.32 5.82 parsed_2rp0 1
17 1 . . . . . 5.11 4.11 5.61 parsed_2rp0 1
18 1 . . . . . 4.5 3.5 5.5 parsed_2rp0 1
19 1 . . . . . 4.65 3.65 5.15 parsed_2rp0 1
20 1 . . . . . 5.33 4.33 5.83 parsed_2rp0 1
21 1 . . . . . 5.07 4.07 5.57 parsed_2rp0 1
22 1 . . . . . 4.56 3.56 5.06 parsed_2rp0 1
23 1 . . . . . 4.5 3.5 5.5 parsed_2rp0 1
24 1 . . . . . 4.0 2.5 5.5 parsed_2rp0 1
25 1 . . . . . 4.81 3.81 5.31 parsed_2rp0 1
26 1 . . . . . 5.0 3.0 7.0 parsed_2rp0 1
27 1 . . . . . 4.85 3.85 5.35 parsed_2rp0 1
28 1 . . . . . 5.0 3.5 6.5 parsed_2rp0 1
29 1 . . . . . 5.0 3.5 6.5 parsed_2rp0 1
30 1 . . . . . 4.0 3.0 5.0 parsed_2rp0 1
31 1 . . . . . 5.37 4.37 5.87 parsed_2rp0 1
32 1 . . . . . 5.0 4.0 6.5 parsed_2rp0 1
33 1 . . . . . 5.93 4.93 6.43 parsed_2rp0 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 "By Pairs" 1 1 1 1 parsed_2rp0 1
2 G0 2 1 2 1 parsed_2rp0 1
3 A1 3 1 3 1 parsed_2rp0 1
4 A2 4 1 4 1 parsed_2rp0 1
5 U3 5 1 5 1 parsed_2rp0 1
6 "U4 A19" 6 1 6 1 parsed_2rp0 1
7 "assign (residue 4 and name H5)(residue 18 and name H1) 5.37 2.0 2.0" 7 1 7 76 parsed_2rp0 1
8 "C5 G18" 8 1 8 1 parsed_2rp0 1
9 "assign (residue 5 and name H5)(residue 17 and name H1) 5.20 2.0 2.0" 10 1 10 77 parsed_2rp0 1
10 "C6 G17" 13 1 13 1 parsed_2rp0 1
11
;
assign (residue 6 and name H4#)(residue 18 and name H1) 5.28 1.0 0.5
assign (residue 6 and name H5)(residue 17 and name H1) 4.04 1.0 0.5
;
15 1 16 77 parsed_2rp0 1
12
;
assign (residue 17 and name H1')(residue 16 and name HO2') 5.25 1.0 0.5
assign (residue 17 and name H8)(residue 16 and name HO2') 4.85 1.0 0.5
;
18 1 19 77 parsed_2rp0 1
13 "G7 C16" 21 1 21 1 parsed_2rp0 1
14
;
assign (residue 16 and name H1')(residue 8 and name H1) 5.0 1.0 1.0
assign (residue 16 and name H1')(residue 15 and name HO2') 5.02 1.0 0.5
assign (residue 16 and name H4#)(residue 8 and name H1) 4.5 1.0 1.0
assign (residue 16 and name H4#)(residue 17 and name H1) 4.81 1.0 0.5
assign (residue 16 and name H4#)(residue 17 and name H1) 4.79 1.0 0.5
assign (residue 16 and name H5)(residue 8 and name H1) 5.0 1.0 1.0
;
23 1 28 71 parsed_2rp0 1
15 "G8 C15" 29 1 29 1 parsed_2rp0 1
16 "assign (residue 15 and name H5)(residue 7 and name H1) 6.0 1.0 2.0" 31 1 31 71 parsed_2rp0 1
17 "U9 A27" 35 1 35 1 parsed_2rp0 1
18
;
assign (residue 9 and name H5)(residue 28 and name H1) 4.8 1.0 1.0
assign (residue 27 and name H2)(residue 8 and name H1) 5.28 2.0 2.0
;
38 1 39 70 parsed_2rp0 1
19 "assign (residue 27 and name H6#)(residue 15 and name HO2') 5.37 1.0 0.5" 44 1 44 74 parsed_2rp0 1
20 G20 47 1 47 1 parsed_2rp0 1
21 A21 48 1 48 1 parsed_2rp0 1
22 A22 49 1 49 1 parsed_2rp0 1
23 "assign (residue 22 and name H1')(residue 18 and name H1) 4.84 1.0 1.7" 50 1 50 78 parsed_2rp0 1
24 A23 51 1 51 1 parsed_2rp0 1
25 C24 52 1 52 1 parsed_2rp0 1
26 A25 53 1 53 1 parsed_2rp0 1
27 A26 54 1 54 1 parsed_2rp0 1
28 "C10 G28 C13" 59 1 59 1 parsed_2rp0 1
29 "assign (residue 13 and name H4#)(residue 10 and name H3) 4.71 1.0 0.5" 63 1 63 72 parsed_2rp0 1
30 "A12 U29" 66 1 66 1 parsed_2rp0 1
31 "assign (residue 12 and name H1')(residue 11 and name H1) 5.0 1.5 1.5" 67 1 67 75 parsed_2rp0 1
32 "assign (residue 29 and name H1')(residue 28 and name H1) 5.0 1.5 1.0" 70 1 70 74 parsed_2rp0 1
33 "G11 C30" 73 1 73 1 parsed_2rp0 1
34
;
assign (residue 31 and name H2)(residue 11 and name H1) 5.35 1.0 0.5
Base H2/H5/H6/H8 dipolar couplings
;
75 1 76 36 parsed_2rp0 1
stop_
save_
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