Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
588993 | 2mn0 RC | 19873 | cing | 2-parsed | STAR | distance | NOE | simple | 39 |
data_2mn0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mn0
_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_2mn0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mn0
_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 2mn0 "Master copy" parsed_2mn0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mn0
_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 2mn0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mn0 1
1 2mn0.mr . . XPLOR/CNS 2 distance NOE simple 39 parsed_2mn0 1
1 2mn0.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2mn0 1
1 2mn0.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2mn0 1
1 2mn0.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mn0 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mn0
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_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_2mn0 1
2 1 . . . parsed_2mn0 1
3 1 . . . parsed_2mn0 1
4 1 . . . parsed_2mn0 1
5 1 . . . parsed_2mn0 1
6 1 . . . parsed_2mn0 1
7 1 . . . parsed_2mn0 1
8 1 . . . parsed_2mn0 1
9 1 . . . parsed_2mn0 1
10 1 . . . parsed_2mn0 1
11 1 . . . parsed_2mn0 1
12 1 . . . parsed_2mn0 1
13 1 . . . parsed_2mn0 1
14 1 . . . parsed_2mn0 1
15 1 . . . parsed_2mn0 1
16 1 . . . parsed_2mn0 1
17 1 . . . parsed_2mn0 1
18 1 . . . parsed_2mn0 1
19 1 . . . parsed_2mn0 1
20 1 . . . parsed_2mn0 1
21 1 . . . parsed_2mn0 1
22 1 . . . parsed_2mn0 1
23 1 . . . parsed_2mn0 1
24 1 . . . parsed_2mn0 1
25 1 . . . parsed_2mn0 1
26 1 . . . parsed_2mn0 1
27 1 . . . parsed_2mn0 1
28 1 . . . parsed_2mn0 1
29 1 . . . parsed_2mn0 1
30 1 . . . parsed_2mn0 1
31 1 . . . parsed_2mn0 1
32 1 . . . parsed_2mn0 1
33 1 . . . parsed_2mn0 1
34 1 . . . parsed_2mn0 1
35 1 . . . parsed_2mn0 1
36 1 . . . parsed_2mn0 1
37 1 . . . parsed_2mn0 1
38 1 . . . parsed_2mn0 1
39 1 . . . parsed_2mn0 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 . N1 parsed_2mn0 1
1 1 2 . . . . . . . . . 13 . N3 parsed_2mn0 1
2 1 1 . . . . . . . . . 3 . N6 parsed_2mn0 1
2 1 2 . . . . . . . . . 13 . O4 parsed_2mn0 1
3 1 1 . . . . . . . . . 3 . N1 parsed_2mn0 1
3 1 2 . . . . . . . . . 13 . H3 parsed_2mn0 1
4 1 1 . . . . . . . . . 3 . H61 parsed_2mn0 1
4 1 1 . . . . . . . . . 3 . H62 parsed_2mn0 1
4 1 2 . . . . . . . . . 13 . O4 parsed_2mn0 1
5 1 1 . . . . . . . . . 1 . H1 parsed_2mn0 1
5 1 2 . . . . . . . . . 15 . N3 parsed_2mn0 1
6 1 1 . . . . . . . . . 1 . N1 parsed_2mn0 1
6 1 2 . . . . . . . . . 15 . N3 parsed_2mn0 1
7 1 1 . . . . . . . . . 1 . H21 parsed_2mn0 1
7 1 1 . . . . . . . . . 1 . H22 parsed_2mn0 1
7 1 2 . . . . . . . . . 15 . O2 parsed_2mn0 1
8 1 1 . . . . . . . . . 1 . N2 parsed_2mn0 1
8 1 2 . . . . . . . . . 15 . O2 parsed_2mn0 1
9 1 1 . . . . . . . . . 1 . O6 parsed_2mn0 1
9 1 2 . . . . . . . . . 15 . N4 parsed_2mn0 1
10 1 1 . . . . . . . . . 1 . O6 parsed_2mn0 1
10 1 2 . . . . . . . . . 15 . H41 parsed_2mn0 1
10 1 2 . . . . . . . . . 15 . H42 parsed_2mn0 1
11 1 1 . . . . . . . . . 2 . H1 parsed_2mn0 1
11 1 2 . . . . . . . . . 14 . N3 parsed_2mn0 1
12 1 1 . . . . . . . . . 2 . N1 parsed_2mn0 1
12 1 2 . . . . . . . . . 14 . N3 parsed_2mn0 1
13 1 1 . . . . . . . . . 2 . H21 parsed_2mn0 1
13 1 1 . . . . . . . . . 2 . H22 parsed_2mn0 1
13 1 2 . . . . . . . . . 14 . O2 parsed_2mn0 1
14 1 1 . . . . . . . . . 2 . N2 parsed_2mn0 1
14 1 2 . . . . . . . . . 14 . O2 parsed_2mn0 1
15 1 1 . . . . . . . . . 2 . O6 parsed_2mn0 1
15 1 2 . . . . . . . . . 14 . N4 parsed_2mn0 1
16 1 1 . . . . . . . . . 2 . O6 parsed_2mn0 1
16 1 2 . . . . . . . . . 14 . H41 parsed_2mn0 1
16 1 2 . . . . . . . . . 14 . H42 parsed_2mn0 1
17 1 1 . . . . . . . . . 4 . H1 parsed_2mn0 1
17 1 2 . . . . . . . . . 12 . N3 parsed_2mn0 1
18 1 1 . . . . . . . . . 4 . N1 parsed_2mn0 1
18 1 2 . . . . . . . . . 12 . N3 parsed_2mn0 1
19 1 1 . . . . . . . . . 4 . H21 parsed_2mn0 1
19 1 1 . . . . . . . . . 4 . H22 parsed_2mn0 1
19 1 2 . . . . . . . . . 12 . O2 parsed_2mn0 1
20 1 1 . . . . . . . . . 4 . N2 parsed_2mn0 1
20 1 2 . . . . . . . . . 12 . O2 parsed_2mn0 1
21 1 1 . . . . . . . . . 4 . O6 parsed_2mn0 1
21 1 2 . . . . . . . . . 12 . N4 parsed_2mn0 1
22 1 1 . . . . . . . . . 4 . O6 parsed_2mn0 1
22 1 2 . . . . . . . . . 12 . H41 parsed_2mn0 1
22 1 2 . . . . . . . . . 12 . H42 parsed_2mn0 1
23 1 1 . . . . . . . . . 13 . H3 parsed_2mn0 1
23 1 2 . . . . . . . . . 13 . H1' parsed_2mn0 1
24 1 1 . . . . . . . . . 13 . H3 parsed_2mn0 1
24 1 2 . . . . . . . . . 14 . H5 parsed_2mn0 1
25 1 1 . . . . . . . . . 13 . H3 parsed_2mn0 1
25 1 2 . . . . . . . . . 3 . H2 parsed_2mn0 1
26 1 1 . . . . . . . . . 4 . H1 parsed_2mn0 1
26 1 2 . . . . . . . . . 13 . H3 parsed_2mn0 1
27 1 1 . . . . . . . . . 2 . H1 parsed_2mn0 1
27 1 2 . . . . . . . . . 13 . H3 parsed_2mn0 1
28 1 1 . . . . . . . . . 4 . H1 parsed_2mn0 1
28 1 2 . . . . . . . . . 12 . H42 parsed_2mn0 1
29 1 1 . . . . . . . . . 4 . H1 parsed_2mn0 1
29 1 2 . . . . . . . . . 12 . H41 parsed_2mn0 1
30 1 1 . . . . . . . . . 4 . H1 parsed_2mn0 1
30 1 2 . . . . . . . . . 11 . H2 parsed_2mn0 1
31 1 1 . . . . . . . . . 4 . H1 parsed_2mn0 1
31 1 2 . . . . . . . . . 12 . H5 parsed_2mn0 1
32 1 1 . . . . . . . . . 4 . H1 parsed_2mn0 1
32 1 2 . . . . . . . . . 12 . H1' parsed_2mn0 1
33 1 1 . . . . . . . . . 2 . H1 parsed_2mn0 1
33 1 2 . . . . . . . . . 14 . H42 parsed_2mn0 1
34 1 1 . . . . . . . . . 2 . H1 parsed_2mn0 1
34 1 2 . . . . . . . . . 12 . H41 parsed_2mn0 1
35 1 1 . . . . . . . . . 2 . H1 parsed_2mn0 1
35 1 2 . . . . . . . . . 3 . H2 parsed_2mn0 1
36 1 1 . . . . . . . . . 7 . H3 parsed_2mn0 1
36 1 2 . . . . . . . . . 7 . H1' parsed_2mn0 1
37 1 1 . . . . . . . . . 15 . H41 parsed_2mn0 1
37 1 2 . . . . . . . . . 14 . H5 parsed_2mn0 1
38 1 1 . . . . . . . . . 11 . H2 parsed_2mn0 1
38 1 2 . . . . . . . . . 12 . H1' parsed_2mn0 1
39 1 1 . . . . . . . . . 10 . H2 parsed_2mn0 1
39 1 2 . . . . . . . . . 11 . H1' parsed_2mn0 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 . . . . . 2.95 2.75 3.15 parsed_2mn0 1
2 1 . . . . . 2.83 2.63 3.03 parsed_2mn0 1
3 1 . . . . . 1.93 1.73 2.13 parsed_2mn0 1
4 1 . . . . . 1.82 1.62 2.02 parsed_2mn0 1
5 1 . . . . . 1.89 1.69 2.09 parsed_2mn0 1
6 1 . . . . . 2.91 2.71 3.11 parsed_2mn0 1
7 1 . . . . . 2.08 1.88 2.28 parsed_2mn0 1
8 1 . . . . . 3.08 2.88 3.28 parsed_2mn0 1
9 1 . . . . . 2.72 2.52 2.92 parsed_2mn0 1
10 1 . . . . . 1.71 1.51 1.91 parsed_2mn0 1
11 1 . . . . . 1.89 1.69 2.09 parsed_2mn0 1
12 1 . . . . . 2.91 2.71 3.11 parsed_2mn0 1
13 1 . . . . . 2.08 1.88 2.28 parsed_2mn0 1
14 1 . . . . . 3.08 2.88 3.28 parsed_2mn0 1
15 1 . . . . . 2.72 2.52 2.92 parsed_2mn0 1
16 1 . . . . . 1.71 1.51 1.91 parsed_2mn0 1
17 1 . . . . . 1.89 1.69 2.09 parsed_2mn0 1
18 1 . . . . . 2.91 2.71 3.11 parsed_2mn0 1
19 1 . . . . . 2.08 1.88 2.28 parsed_2mn0 1
20 1 . . . . . 3.08 2.88 3.28 parsed_2mn0 1
21 1 . . . . . 2.72 2.52 2.92 parsed_2mn0 1
22 1 . . . . . 1.71 1.51 1.91 parsed_2mn0 1
23 1 . . . . . 5.0 4.0 6.0 parsed_2mn0 1
24 1 . . . . . 5.0 4.0 6.0 parsed_2mn0 1
25 1 . . . . . 3.5 2.8 4.2 parsed_2mn0 1
26 1 . . . . . 5.0 4.0 6.0 parsed_2mn0 1
27 1 . . . . . 5.0 4.0 6.0 parsed_2mn0 1
28 1 . . . . . 2.5 2.0 3.0 parsed_2mn0 1
29 1 . . . . . 3.5 2.8 4.2 parsed_2mn0 1
30 1 . . . . . 5.0 4.0 6.0 parsed_2mn0 1
31 1 . . . . . 5.0 4.0 6.0 parsed_2mn0 1
32 1 . . . . . 5.0 4.0 6.0 parsed_2mn0 1
33 1 . . . . . 2.5 2.0 3.0 parsed_2mn0 1
34 1 . . . . . 3.5 2.8 4.2 parsed_2mn0 1
35 1 . . . . . 5.0 4.0 6.0 parsed_2mn0 1
36 1 . . . . . 5.0 4.0 6.0 parsed_2mn0 1
37 1 . . . . . 3.0 2.4 3.6 parsed_2mn0 1
38 1 . . . . . 5.0 4.0 6.0 parsed_2mn0 1
39 1 . . . . . 5.0 4.0 6.0 parsed_2mn0 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 "message=off echo=off" 1 1 1 28 parsed_2mn0 1
2
;
basepair NOE adapted from
http://marinolab.umbi.umd.edu/Protocols/labdocs/packages/xplor.html
A 3-U13
;
3 1 6 9 parsed_2mn0 1
3 "G 1-C15" 20 1 20 9 parsed_2mn0 1
4 "G 2-C14" 40 1 40 9 parsed_2mn0 1
5 "G 4-C12" 61 1 61 9 parsed_2mn0 1
6
;
NOE restraints from jr-noesy
imino
;
81 1 83 7 parsed_2mn0 1
7 "corrected by el" 91 31 91 47 parsed_2mn0 1
8 "added by el" 93 31 93 43 parsed_2mn0 1
9 amino 101 1 101 7 parsed_2mn0 1
10
;
non-canonical first try
assign (resid 11 and name H61) (resid 5 and name N1) 2.0 1.0 1.0
assign (resid 11 and name N7) (resid 5 and name H61) 2.0 1.0 1.0
non-canonical D7-A10 no evidence in experiment found, removed 19/06/2013
A 10- D 7
assign (resid 10 and name N1)
(resid 7 and name N3)
2.95 0.2 0.2
assign (resid 10 and name N6)
(resid 7 and name O4)
2.83 0.2 0.2
assign (resid 10 and name N1)
(resid 7 and name H3)
1.93 0.2 0.2
assign (resid 10 and name H61)
(resid 7 and name O4)
1.82 0.2 0.2
non-canonical G6-A11 no evidence in experiment found, removed 19/06/2013
assign (resid 11 and name N1)
(resid 6 and name N1)
2.95 0.2 0.2
additional restrains from ADE:H2, added by el
;
104 1 129 47 parsed_2mn0 1
11
;
message=on echo=on
message=off echo=off
;
134 1 136 28 parsed_2mn0 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
;
end
set message=on echo=on end
set message=off echo=off end
restraints
dihedral
;
133 1 138 9 parsed_2mn0 1
stop_
save_