NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
633640 |
6d2u   |
30452 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 68 |
data_6d2u_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6d2u
_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_6d2u 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6d2u
_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 6d2u "Master copy" parsed_6d2u
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6d2u
_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 6d2u.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6d2u 1
1 6d2u.mr . . XPLOR/CNS 2 distance NOE simple 875 parsed_6d2u 1
1 6d2u.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 68 parsed_6d2u 1
1 6d2u.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6d2u 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6d2u
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_6d2u 1
2 1 . . . parsed_6d2u 1
3 1 . . . parsed_6d2u 1
4 1 . . . parsed_6d2u 1
5 1 . . . parsed_6d2u 1
6 1 . . . parsed_6d2u 1
7 1 . . . parsed_6d2u 1
8 1 . . . parsed_6d2u 1
9 1 . . . parsed_6d2u 1
10 1 . . . parsed_6d2u 1
11 1 . . . parsed_6d2u 1
12 1 . . . parsed_6d2u 1
13 1 . . . parsed_6d2u 1
14 1 . . . parsed_6d2u 1
15 1 . . . parsed_6d2u 1
16 1 . . . parsed_6d2u 1
17 1 . . . parsed_6d2u 1
18 1 . . . parsed_6d2u 1
19 1 . . . parsed_6d2u 1
20 1 . . . parsed_6d2u 1
21 1 . . . parsed_6d2u 1
22 1 . . . parsed_6d2u 1
23 1 . . . parsed_6d2u 1
24 1 . . . parsed_6d2u 1
25 1 . . . parsed_6d2u 1
26 1 . . . parsed_6d2u 1
27 1 . . . parsed_6d2u 1
28 1 . . . parsed_6d2u 1
29 1 . . . parsed_6d2u 1
30 1 . . . parsed_6d2u 1
31 1 . . . parsed_6d2u 1
32 1 . . . parsed_6d2u 1
33 1 . . . parsed_6d2u 1
34 1 . . . parsed_6d2u 1
35 1 . . . parsed_6d2u 1
36 1 . . . parsed_6d2u 1
37 1 . . . parsed_6d2u 1
38 1 . . . parsed_6d2u 1
39 1 . . . parsed_6d2u 1
40 1 . . . parsed_6d2u 1
41 1 . . . parsed_6d2u 1
42 1 . . . parsed_6d2u 1
43 1 . . . parsed_6d2u 1
44 1 . . . parsed_6d2u 1
45 1 . . . parsed_6d2u 1
46 1 . . . parsed_6d2u 1
47 1 . . . parsed_6d2u 1
48 1 . . . parsed_6d2u 1
49 1 . . . parsed_6d2u 1
50 1 . . . parsed_6d2u 1
51 1 . . . parsed_6d2u 1
52 1 . . . parsed_6d2u 1
53 1 . . . parsed_6d2u 1
54 1 . . . parsed_6d2u 1
55 1 . . . parsed_6d2u 1
56 1 . . . parsed_6d2u 1
57 1 . . . parsed_6d2u 1
58 1 . . . parsed_6d2u 1
59 1 . . . parsed_6d2u 1
60 1 . . . parsed_6d2u 1
61 1 . . . parsed_6d2u 1
62 1 . . . parsed_6d2u 1
63 1 . . . parsed_6d2u 1
64 1 . . . parsed_6d2u 1
65 1 . . . parsed_6d2u 1
66 1 . . . parsed_6d2u 1
67 1 . . . parsed_6d2u 1
68 1 . . . parsed_6d2u 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 . HH12 parsed_6d2u 1
1 1 2 . . . . . . . . . 28 . N7 parsed_6d2u 1
2 1 1 . . . . . . . . . 5 . NH1 parsed_6d2u 1
2 1 2 . . . . . . . . . 28 . N7 parsed_6d2u 1
3 1 1 . . . . . . . . . 5 . HH22 parsed_6d2u 1
3 1 2 . . . . . . . . . 28 . O6 parsed_6d2u 1
4 1 1 . . . . . . . . . 5 . NH2 parsed_6d2u 1
4 1 2 . . . . . . . . . 28 . O6 parsed_6d2u 1
5 1 1 . . . . . . . . . 6 . HZ# parsed_6d2u 1
5 1 2 . . . . . . . . . 25 . O4 parsed_6d2u 1
6 1 1 . . . . . . . . . 6 . NZ parsed_6d2u 1
6 1 2 . . . . . . . . . 25 . O4 parsed_6d2u 1
7 1 1 . . . . . . . . . 17 . N1 parsed_6d2u 1
7 1 2 . . . . . . . . . 45 . N3 parsed_6d2u 1
8 1 1 . . . . . . . . . 17 . H1 parsed_6d2u 1
8 1 2 . . . . . . . . . 45 . N3 parsed_6d2u 1
9 1 1 . . . . . . . . . 17 . O6 parsed_6d2u 1
9 1 2 . . . . . . . . . 45 . N4 parsed_6d2u 1
10 1 1 . . . . . . . . . 17 . N2 parsed_6d2u 1
10 1 2 . . . . . . . . . 45 . O2 parsed_6d2u 1
11 1 1 . . . . . . . . . 17 . N2 parsed_6d2u 1
11 1 2 . . . . . . . . . 45 . N3 parsed_6d2u 1
12 1 1 . . . . . . . . . 17 . O6 parsed_6d2u 1
12 1 2 . . . . . . . . . 45 . N3 parsed_6d2u 1
13 1 1 . . . . . . . . . 18 . N1 parsed_6d2u 1
13 1 2 . . . . . . . . . 44 . N3 parsed_6d2u 1
14 1 1 . . . . . . . . . 18 . H1 parsed_6d2u 1
14 1 2 . . . . . . . . . 44 . N3 parsed_6d2u 1
15 1 1 . . . . . . . . . 18 . O6 parsed_6d2u 1
15 1 2 . . . . . . . . . 44 . N4 parsed_6d2u 1
16 1 1 . . . . . . . . . 18 . N2 parsed_6d2u 1
16 1 2 . . . . . . . . . 44 . O2 parsed_6d2u 1
17 1 1 . . . . . . . . . 18 . N2 parsed_6d2u 1
17 1 2 . . . . . . . . . 44 . N3 parsed_6d2u 1
18 1 1 . . . . . . . . . 18 . O6 parsed_6d2u 1
18 1 2 . . . . . . . . . 44 . N3 parsed_6d2u 1
19 1 1 . . . . . . . . . 19 . N3 parsed_6d2u 1
19 1 2 . . . . . . . . . 43 . N1 parsed_6d2u 1
20 1 1 . . . . . . . . . 19 . N3 parsed_6d2u 1
20 1 2 . . . . . . . . . 43 . H1 parsed_6d2u 1
21 1 1 . . . . . . . . . 19 . N4 parsed_6d2u 1
21 1 2 . . . . . . . . . 43 . O6 parsed_6d2u 1
22 1 1 . . . . . . . . . 19 . O2 parsed_6d2u 1
22 1 2 . . . . . . . . . 43 . N2 parsed_6d2u 1
23 1 1 . . . . . . . . . 19 . N3 parsed_6d2u 1
23 1 2 . . . . . . . . . 43 . N2 parsed_6d2u 1
24 1 1 . . . . . . . . . 19 . N3 parsed_6d2u 1
24 1 2 . . . . . . . . . 43 . O6 parsed_6d2u 1
25 1 1 . . . . . . . . . 20 . N1 parsed_6d2u 1
25 1 2 . . . . . . . . . 42 . N3 parsed_6d2u 1
26 1 1 . . . . . . . . . 20 . N6 parsed_6d2u 1
26 1 2 . . . . . . . . . 42 . O4 parsed_6d2u 1
27 1 1 . . . . . . . . . 20 . N1 parsed_6d2u 1
27 1 2 . . . . . . . . . 42 . H3 parsed_6d2u 1
28 1 1 . . . . . . . . . 21 . N1 parsed_6d2u 1
28 1 2 . . . . . . . . . 41 . N3 parsed_6d2u 1
29 1 1 . . . . . . . . . 21 . H1 parsed_6d2u 1
29 1 2 . . . . . . . . . 41 . N3 parsed_6d2u 1
30 1 1 . . . . . . . . . 21 . O6 parsed_6d2u 1
30 1 2 . . . . . . . . . 41 . N4 parsed_6d2u 1
31 1 1 . . . . . . . . . 21 . N2 parsed_6d2u 1
31 1 2 . . . . . . . . . 41 . O2 parsed_6d2u 1
32 1 1 . . . . . . . . . 21 . N2 parsed_6d2u 1
32 1 2 . . . . . . . . . 41 . N3 parsed_6d2u 1
33 1 1 . . . . . . . . . 21 . O6 parsed_6d2u 1
33 1 2 . . . . . . . . . 41 . N3 parsed_6d2u 1
34 1 1 . . . . . . . . . 22 . N1 parsed_6d2u 1
34 1 2 . . . . . . . . . 40 . N3 parsed_6d2u 1
35 1 1 . . . . . . . . . 22 . N6 parsed_6d2u 1
35 1 2 . . . . . . . . . 40 . O4 parsed_6d2u 1
36 1 1 . . . . . . . . . 22 . N1 parsed_6d2u 1
36 1 2 . . . . . . . . . 40 . H3 parsed_6d2u 1
37 1 1 . . . . . . . . . 26 . N1 parsed_6d2u 1
37 1 2 . . . . . . . . . 39 . N3 parsed_6d2u 1
38 1 1 . . . . . . . . . 26 . H1 parsed_6d2u 1
38 1 2 . . . . . . . . . 39 . N3 parsed_6d2u 1
39 1 1 . . . . . . . . . 26 . O6 parsed_6d2u 1
39 1 2 . . . . . . . . . 39 . N4 parsed_6d2u 1
40 1 1 . . . . . . . . . 26 . N2 parsed_6d2u 1
40 1 2 . . . . . . . . . 39 . O2 parsed_6d2u 1
41 1 1 . . . . . . . . . 26 . N2 parsed_6d2u 1
41 1 2 . . . . . . . . . 39 . N3 parsed_6d2u 1
42 1 1 . . . . . . . . . 26 . O6 parsed_6d2u 1
42 1 2 . . . . . . . . . 39 . N3 parsed_6d2u 1
43 1 1 . . . . . . . . . 27 . N7 parsed_6d2u 1
43 1 2 . . . . . . . . . 23 . H3 parsed_6d2u 1
44 1 1 . . . . . . . . . 27 . N7 parsed_6d2u 1
44 1 2 . . . . . . . . . 23 . N3 parsed_6d2u 1
45 1 1 . . . . . . . . . 27 . H62 parsed_6d2u 1
45 1 2 . . . . . . . . . 23 . O4 parsed_6d2u 1
46 1 1 . . . . . . . . . 27 . N6 parsed_6d2u 1
46 1 2 . . . . . . . . . 23 . O4 parsed_6d2u 1
47 1 1 . . . . . . . . . 27 . H61 parsed_6d2u 1
47 1 2 . . . . . . . . . 38 . O4 parsed_6d2u 1
48 1 1 . . . . . . . . . 27 . N1 parsed_6d2u 1
48 1 2 . . . . . . . . . 38 . N3 parsed_6d2u 1
49 1 1 . . . . . . . . . 27 . N6 parsed_6d2u 1
49 1 2 . . . . . . . . . 38 . O4 parsed_6d2u 1
50 1 1 . . . . . . . . . 27 . N1 parsed_6d2u 1
50 1 2 . . . . . . . . . 38 . H3 parsed_6d2u 1
51 1 1 . . . . . . . . . 28 . N1 parsed_6d2u 1
51 1 2 . . . . . . . . . 37 . N3 parsed_6d2u 1
52 1 1 . . . . . . . . . 28 . H1 parsed_6d2u 1
52 1 2 . . . . . . . . . 37 . N3 parsed_6d2u 1
53 1 1 . . . . . . . . . 28 . O6 parsed_6d2u 1
53 1 2 . . . . . . . . . 37 . N4 parsed_6d2u 1
54 1 1 . . . . . . . . . 28 . N2 parsed_6d2u 1
54 1 2 . . . . . . . . . 37 . O2 parsed_6d2u 1
55 1 1 . . . . . . . . . 28 . N2 parsed_6d2u 1
55 1 2 . . . . . . . . . 37 . N3 parsed_6d2u 1
56 1 1 . . . . . . . . . 28 . O6 parsed_6d2u 1
56 1 2 . . . . . . . . . 37 . N3 parsed_6d2u 1
57 1 1 . . . . . . . . . 29 . N3 parsed_6d2u 1
57 1 2 . . . . . . . . . 36 . N1 parsed_6d2u 1
58 1 1 . . . . . . . . . 29 . N3 parsed_6d2u 1
58 1 2 . . . . . . . . . 36 . H1 parsed_6d2u 1
59 1 1 . . . . . . . . . 29 . N4 parsed_6d2u 1
59 1 2 . . . . . . . . . 36 . O6 parsed_6d2u 1
60 1 1 . . . . . . . . . 29 . O2 parsed_6d2u 1
60 1 2 . . . . . . . . . 36 . N2 parsed_6d2u 1
61 1 1 . . . . . . . . . 29 . N3 parsed_6d2u 1
61 1 2 . . . . . . . . . 36 . N2 parsed_6d2u 1
62 1 1 . . . . . . . . . 29 . N3 parsed_6d2u 1
62 1 2 . . . . . . . . . 36 . O6 parsed_6d2u 1
63 1 1 . . . . . . . . . 30 . N3 parsed_6d2u 1
63 1 2 . . . . . . . . . 34 . N1 parsed_6d2u 1
64 1 1 . . . . . . . . . 30 . N3 parsed_6d2u 1
64 1 2 . . . . . . . . . 34 . H1 parsed_6d2u 1
65 1 1 . . . . . . . . . 30 . N4 parsed_6d2u 1
65 1 2 . . . . . . . . . 34 . O6 parsed_6d2u 1
66 1 1 . . . . . . . . . 30 . O2 parsed_6d2u 1
66 1 2 . . . . . . . . . 34 . N2 parsed_6d2u 1
67 1 1 . . . . . . . . . 30 . N3 parsed_6d2u 1
67 1 2 . . . . . . . . . 34 . N2 parsed_6d2u 1
68 1 1 . . . . . . . . . 30 . N3 parsed_6d2u 1
68 1 2 . . . . . . . . . 34 . O6 parsed_6d2u 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 . . . . . 1.73 1.53 1.93 parsed_6d2u 1
2 1 . . . . . 2.87 2.67 3.07 parsed_6d2u 1
3 1 . . . . . 1.86 1.66 2.06 parsed_6d2u 1
4 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
5 1 . . . . . 1.86 1.66 2.06 parsed_6d2u 1
6 1 . . . . . 2.87 2.67 3.07 parsed_6d2u 1
7 1 . . . . . 2.87 2.67 3.07 parsed_6d2u 1
8 1 . . . . . 1.86 1.66 2.06 parsed_6d2u 1
9 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
10 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
11 1 . . . . . 3.58 3.38 3.78 parsed_6d2u 1
12 1 . . . . . 3.63 3.43 3.83 parsed_6d2u 1
13 1 . . . . . 2.87 2.67 3.07 parsed_6d2u 1
14 1 . . . . . 1.86 1.66 2.06 parsed_6d2u 1
15 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
16 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
17 1 . . . . . 3.58 3.38 3.78 parsed_6d2u 1
18 1 . . . . . 3.63 3.43 3.83 parsed_6d2u 1
19 1 . . . . . 2.87 2.67 3.07 parsed_6d2u 1
20 1 . . . . . 1.86 1.66 2.06 parsed_6d2u 1
21 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
22 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
23 1 . . . . . 3.58 3.38 3.78 parsed_6d2u 1
24 1 . . . . . 3.63 3.43 3.83 parsed_6d2u 1
25 1 . . . . . 2.73 2.53 2.93 parsed_6d2u 1
26 1 . . . . . 2.92 2.72 3.12 parsed_6d2u 1
27 1 . . . . . 1.73 1.53 1.93 parsed_6d2u 1
28 1 . . . . . 2.87 2.67 3.07 parsed_6d2u 1
29 1 . . . . . 1.86 1.66 2.06 parsed_6d2u 1
30 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
31 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
32 1 . . . . . 3.58 3.38 3.78 parsed_6d2u 1
33 1 . . . . . 3.63 3.43 3.83 parsed_6d2u 1
34 1 . . . . . 2.73 2.53 2.93 parsed_6d2u 1
35 1 . . . . . 2.92 2.72 3.12 parsed_6d2u 1
36 1 . . . . . 1.73 1.53 1.93 parsed_6d2u 1
37 1 . . . . . 2.87 2.67 3.07 parsed_6d2u 1
38 1 . . . . . 1.86 1.66 2.06 parsed_6d2u 1
39 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
40 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
41 1 . . . . . 3.58 3.38 3.78 parsed_6d2u 1
42 1 . . . . . 3.63 3.43 3.83 parsed_6d2u 1
43 1 . . . . . 1.73 1.53 1.93 parsed_6d2u 1
44 1 . . . . . 2.73 2.53 2.93 parsed_6d2u 1
45 1 . . . . . 1.86 1.66 2.06 parsed_6d2u 1
46 1 . . . . . 2.73 2.53 2.93 parsed_6d2u 1
47 1 . . . . . 1.73 1.53 1.93 parsed_6d2u 1
48 1 . . . . . 2.73 2.53 2.93 parsed_6d2u 1
49 1 . . . . . 2.92 2.72 3.12 parsed_6d2u 1
50 1 . . . . . 1.73 1.53 1.93 parsed_6d2u 1
51 1 . . . . . 2.87 2.67 3.07 parsed_6d2u 1
52 1 . . . . . 1.86 1.66 2.06 parsed_6d2u 1
53 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
54 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
55 1 . . . . . 3.58 3.38 3.78 parsed_6d2u 1
56 1 . . . . . 3.63 3.43 3.83 parsed_6d2u 1
57 1 . . . . . 2.87 2.67 3.07 parsed_6d2u 1
58 1 . . . . . 1.86 1.66 2.06 parsed_6d2u 1
59 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
60 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
61 1 . . . . . 3.58 3.38 3.78 parsed_6d2u 1
62 1 . . . . . 3.63 3.43 3.83 parsed_6d2u 1
63 1 . . . . . 2.87 2.67 3.07 parsed_6d2u 1
64 1 . . . . . 1.86 1.66 2.06 parsed_6d2u 1
65 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
66 1 . . . . . 2.81 2.61 3.01 parsed_6d2u 1
67 1 . . . . . 3.58 3.38 3.78 parsed_6d2u 1
68 1 . . . . . 3.63 3.43 3.83 parsed_6d2u 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
;
amino acid to nucleic base
for Arg 5 to G28 (turned off for initial folding)
;
2 1 3 52 parsed_6d2u 1
2
;
Arg 3 to G26
assign ( resid 3 and name HH12 ) ( resid 26 and name O6 ) 3.5 1.6 1.6
assign ( resid 3 and name HH22 ) ( resid 26 and name N7 ) 3.5 1.6 1.6
Arg 8 to G34 (turned off for initial folding)
assign ( resid 8 and name HH1# ) ( resid 34 and name O6 ) 1.73 0.2 0.2
assign ( resid 8 and name NH1 ) ( resid 34 and name O6 ) 2.87 0.2 0.2
assign ( resid 8 and name HE ) ( resid 34 and name N7 ) 1.86 0.2 0.2
assign ( resid 8 and name NE ) ( resid 34 and name N7 ) 2.81 0.2 0.2
Lys 6 to U25 (not quite sure??? possible??)
;
10 1 22 45 parsed_6d2u 1
3
;
Base pairing for HIV TAR in complex with JB181 peptide
Taken from data collected at 4C on the 500MHz instrument
using noesyesgpph pulse sequence with 300ms
for G17/ C45 base pair
;
27 1 33 27 parsed_6d2u 1
4 "for G18/ C44 base pair" 42 1 42 27 parsed_6d2u 1
5 "for G43/ C19 base pair" 50 1 50 27 parsed_6d2u 1
6 "for A20/ U42 base pair" 58 1 58 25 parsed_6d2u 1
7 "for G21/ C41 base pair" 63 1 63 27 parsed_6d2u 1
8 "for A22/ U40 base pair" 72 1 72 25 parsed_6d2u 1
9 "for G26/ C39 base pair" 77 1 77 27 parsed_6d2u 1
10 "for U23/ A27 base pair" 85 1 85 25 parsed_6d2u 1
11 "for A27/ U38 base pair" 91 1 91 25 parsed_6d2u 1
12 "for G28/ C37 base pair" 97 1 97 27 parsed_6d2u 1
13 "for G36/ C29 base pair" 105 1 105 27 parsed_6d2u 1
14 "for C30/G34 #may be here, need high res water noesy" 114 1 114 56 parsed_6d2u 1
15
;
U31 - G34
assign (residue 31 and name H3) (residue 34 and name O6) 1.9 0.1 0.30
assign (residue 31 and name N3) (residue 34 and name O6) 3.0 0.28 0.08
assign (residue 31 and name O2) (residue 34 and name H1) 1.9 0.1 0.30
assign (residue 31 and name O2) (residue 34 and name N1) 3.0 0.28 0.08
;
123 1 127 73 parsed_6d2u 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 "# Restraints file 4: TAR_181_hbond.tbl" 1 1 1 38 parsed_6d2u 1
stop_
save_
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