NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
601175 |
2n0a   |
25518 | cing | 2-parsed | STAR | distance | NOE | ambi | 32 |
data_2n0a_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n0a
_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_2n0a 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n0a
_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 2n0a "Master copy" parsed_2n0a
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n0a
_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 2n0a.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n0a 1
1 2n0a.mr . . XPLOR/CNS 2 distance NOE simple 180 parsed_2n0a 1
1 2n0a.mr . . XPLOR/CNS 3 distance NOE ambi 80 parsed_2n0a 1
1 2n0a.mr . . XPLOR/CNS 4 distance NOE simple 28 parsed_2n0a 1
1 2n0a.mr . . XPLOR/CNS 5 distance NOE ambi 5 parsed_2n0a 1
1 2n0a.mr . . XPLOR/CNS 6 distance NOE simple 50 parsed_2n0a 1
1 2n0a.mr . . XPLOR/CNS 7 distance NOE ambi 32 parsed_2n0a 1
1 2n0a.mr . . XPLOR/CNS 8 distance NOE simple 0 parsed_2n0a 1
1 2n0a.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2n0a 1
1 2n0a.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n0a 1
stop_
save_
save_CNS/XPLOR_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n0a
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_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 2 . OR parsed_2n0a 1
1 2 . 3 . parsed_2n0a 1
1 3 . 4 . parsed_2n0a 1
1 4 . 5 . parsed_2n0a 1
1 5 . . . parsed_2n0a 1
2 1 2 . OR parsed_2n0a 1
2 2 . 3 . parsed_2n0a 1
2 3 . 4 . parsed_2n0a 1
2 4 . 5 . parsed_2n0a 1
2 5 . . . parsed_2n0a 1
3 1 2 . OR parsed_2n0a 1
3 2 . 3 . parsed_2n0a 1
3 3 . 4 . parsed_2n0a 1
3 4 . 5 . parsed_2n0a 1
3 5 . . . parsed_2n0a 1
4 1 2 . OR parsed_2n0a 1
4 2 . 3 . parsed_2n0a 1
4 3 . 4 . parsed_2n0a 1
4 4 . 5 . parsed_2n0a 1
4 5 . . . parsed_2n0a 1
5 1 2 . OR parsed_2n0a 1
5 2 . 3 . parsed_2n0a 1
5 3 . 4 . parsed_2n0a 1
5 4 . 5 . parsed_2n0a 1
5 5 . . . parsed_2n0a 1
6 1 2 . OR parsed_2n0a 1
6 2 . 3 . parsed_2n0a 1
6 3 . 4 . parsed_2n0a 1
6 4 . 5 . parsed_2n0a 1
6 5 . . . parsed_2n0a 1
7 1 2 . OR parsed_2n0a 1
7 2 . 3 . parsed_2n0a 1
7 3 . 4 . parsed_2n0a 1
7 4 . 5 . parsed_2n0a 1
7 5 . . . parsed_2n0a 1
8 1 2 . OR parsed_2n0a 1
8 2 . 3 . parsed_2n0a 1
8 3 . 4 . parsed_2n0a 1
8 4 . 5 . parsed_2n0a 1
8 5 . . . parsed_2n0a 1
9 1 2 . OR parsed_2n0a 1
9 2 . 3 . parsed_2n0a 1
9 3 . 4 . parsed_2n0a 1
9 4 . 5 . parsed_2n0a 1
9 5 . . . parsed_2n0a 1
10 1 2 . OR parsed_2n0a 1
10 2 . 3 . parsed_2n0a 1
10 3 . 4 . parsed_2n0a 1
10 4 . 5 . parsed_2n0a 1
10 5 . . . parsed_2n0a 1
11 1 2 . OR parsed_2n0a 1
11 2 . 3 . parsed_2n0a 1
11 3 . 4 . parsed_2n0a 1
11 4 . 5 . parsed_2n0a 1
11 5 . . . parsed_2n0a 1
12 1 2 . OR parsed_2n0a 1
12 2 . 3 . parsed_2n0a 1
12 3 . 4 . parsed_2n0a 1
12 4 . 5 . parsed_2n0a 1
12 5 . . . parsed_2n0a 1
13 1 2 . OR parsed_2n0a 1
13 2 . 3 . parsed_2n0a 1
13 3 . 4 . parsed_2n0a 1
13 4 . 5 . parsed_2n0a 1
13 5 . . . parsed_2n0a 1
14 1 2 . OR parsed_2n0a 1
14 2 . 3 . parsed_2n0a 1
14 3 . 4 . parsed_2n0a 1
14 4 . 5 . parsed_2n0a 1
14 5 . . . parsed_2n0a 1
15 1 2 . OR parsed_2n0a 1
15 2 . 3 . parsed_2n0a 1
15 3 . 4 . parsed_2n0a 1
15 4 . 5 . parsed_2n0a 1
15 5 . . . parsed_2n0a 1
16 1 2 . OR parsed_2n0a 1
16 2 . 3 . parsed_2n0a 1
16 3 . 4 . parsed_2n0a 1
16 4 . 5 . parsed_2n0a 1
16 5 . . . parsed_2n0a 1
17 1 2 . OR parsed_2n0a 1
17 2 . 3 . parsed_2n0a 1
17 3 . . . parsed_2n0a 1
18 1 2 . OR parsed_2n0a 1
18 2 . 3 . parsed_2n0a 1
18 3 . . . parsed_2n0a 1
19 1 2 . OR parsed_2n0a 1
19 2 . 3 . parsed_2n0a 1
19 3 . . . parsed_2n0a 1
20 1 2 . OR parsed_2n0a 1
20 2 . 3 . parsed_2n0a 1
20 3 . . . parsed_2n0a 1
21 1 2 . OR parsed_2n0a 1
21 2 . 3 . parsed_2n0a 1
21 3 . . . parsed_2n0a 1
22 1 2 . OR parsed_2n0a 1
22 2 . 3 . parsed_2n0a 1
22 3 . . . parsed_2n0a 1
23 1 2 . OR parsed_2n0a 1
23 2 . 3 . parsed_2n0a 1
23 3 . . . parsed_2n0a 1
24 1 2 . OR parsed_2n0a 1
24 2 . 3 . parsed_2n0a 1
24 3 . . . parsed_2n0a 1
25 1 2 . OR parsed_2n0a 1
25 2 . 3 . parsed_2n0a 1
25 3 . . . parsed_2n0a 1
26 1 2 . OR parsed_2n0a 1
26 2 . 3 . parsed_2n0a 1
26 3 . . . parsed_2n0a 1
27 1 2 . OR parsed_2n0a 1
27 2 . 3 . parsed_2n0a 1
27 3 . . . parsed_2n0a 1
28 1 2 . OR parsed_2n0a 1
28 2 . 3 . parsed_2n0a 1
28 3 . . . parsed_2n0a 1
29 1 2 . OR parsed_2n0a 1
29 2 . 3 . parsed_2n0a 1
29 3 . . . parsed_2n0a 1
30 1 2 . OR parsed_2n0a 1
30 2 . 3 . parsed_2n0a 1
30 3 . . . parsed_2n0a 1
31 1 2 . OR parsed_2n0a 1
31 2 . 3 . parsed_2n0a 1
31 3 . . . parsed_2n0a 1
32 1 2 . OR parsed_2n0a 1
32 2 . 3 . parsed_2n0a 1
32 3 . . . parsed_2n0a 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 2 1 . . . . . . . . AS_B 46 . CD parsed_2n0a 1
1 2 2 . . . . . . . . AS_A 80 . NZ parsed_2n0a 1
1 3 1 . . . . . . . . AS_B 83 . CD parsed_2n0a 1
1 3 2 . . . . . . . . AS_A 80 . NZ parsed_2n0a 1
1 4 1 . . . . . . . . AS_B 46 . CD parsed_2n0a 1
1 4 2 . . . . . . . . AS_C 80 . NZ parsed_2n0a 1
1 5 1 . . . . . . . . AS_B 83 . CD parsed_2n0a 1
1 5 2 . . . . . . . . AS_C 80 . NZ parsed_2n0a 1
2 2 1 . . . . . . . . AS_B 46 . OE2 parsed_2n0a 1
2 2 2 . . . . . . . . AS_A 80 . NZ parsed_2n0a 1
2 3 1 . . . . . . . . AS_B 83 . OE2 parsed_2n0a 1
2 3 2 . . . . . . . . AS_A 80 . NZ parsed_2n0a 1
2 4 1 . . . . . . . . AS_B 46 . OE2 parsed_2n0a 1
2 4 2 . . . . . . . . AS_C 80 . NZ parsed_2n0a 1
2 5 1 . . . . . . . . AS_B 83 . OE2 parsed_2n0a 1
2 5 2 . . . . . . . . AS_C 80 . NZ parsed_2n0a 1
3 2 1 . . . . . . . . AS_C 46 . CD parsed_2n0a 1
3 2 2 . . . . . . . . AS_B 80 . NZ parsed_2n0a 1
3 3 1 . . . . . . . . AS_C 83 . CD parsed_2n0a 1
3 3 2 . . . . . . . . AS_B 80 . NZ parsed_2n0a 1
3 4 1 . . . . . . . . AS_C 46 . CD parsed_2n0a 1
3 4 2 . . . . . . . . AS_D 80 . NZ parsed_2n0a 1
3 5 1 . . . . . . . . AS_C 83 . CD parsed_2n0a 1
3 5 2 . . . . . . . . AS_D 80 . NZ parsed_2n0a 1
4 2 1 . . . . . . . . AS_C 46 . OE2 parsed_2n0a 1
4 2 2 . . . . . . . . AS_B 80 . NZ parsed_2n0a 1
4 3 1 . . . . . . . . AS_C 83 . OE2 parsed_2n0a 1
4 3 2 . . . . . . . . AS_B 80 . NZ parsed_2n0a 1
4 4 1 . . . . . . . . AS_C 46 . OE2 parsed_2n0a 1
4 4 2 . . . . . . . . AS_D 80 . NZ parsed_2n0a 1
4 5 1 . . . . . . . . AS_C 83 . OE2 parsed_2n0a 1
4 5 2 . . . . . . . . AS_D 80 . NZ parsed_2n0a 1
5 2 1 . . . . . . . . AS_D 46 . CD parsed_2n0a 1
5 2 2 . . . . . . . . AS_C 80 . NZ parsed_2n0a 1
5 3 1 . . . . . . . . AS_D 83 . CD parsed_2n0a 1
5 3 2 . . . . . . . . AS_C 80 . NZ parsed_2n0a 1
5 4 1 . . . . . . . . AS_D 46 . CD parsed_2n0a 1
5 4 2 . . . . . . . . AS_E 80 . NZ parsed_2n0a 1
5 5 1 . . . . . . . . AS_D 83 . CD parsed_2n0a 1
5 5 2 . . . . . . . . AS_E 80 . NZ parsed_2n0a 1
6 2 1 . . . . . . . . AS_D 46 . OE2 parsed_2n0a 1
6 2 2 . . . . . . . . AS_C 80 . NZ parsed_2n0a 1
6 3 1 . . . . . . . . AS_D 83 . OE2 parsed_2n0a 1
6 3 2 . . . . . . . . AS_C 80 . NZ parsed_2n0a 1
6 4 1 . . . . . . . . AS_D 46 . OE2 parsed_2n0a 1
6 4 2 . . . . . . . . AS_E 80 . NZ parsed_2n0a 1
6 5 1 . . . . . . . . AS_D 83 . OE2 parsed_2n0a 1
6 5 2 . . . . . . . . AS_E 80 . NZ parsed_2n0a 1
7 2 1 . . . . . . . . AS_E 46 . CD parsed_2n0a 1
7 2 2 . . . . . . . . AS_D 80 . NZ parsed_2n0a 1
7 3 1 . . . . . . . . AS_E 83 . CD parsed_2n0a 1
7 3 2 . . . . . . . . AS_D 80 . NZ parsed_2n0a 1
7 4 1 . . . . . . . . AS_E 46 . CD parsed_2n0a 1
7 4 2 . . . . . . . . AS_F 80 . NZ parsed_2n0a 1
7 5 1 . . . . . . . . AS_E 83 . CD parsed_2n0a 1
7 5 2 . . . . . . . . AS_F 80 . NZ parsed_2n0a 1
8 2 1 . . . . . . . . AS_E 46 . OE2 parsed_2n0a 1
8 2 2 . . . . . . . . AS_D 80 . NZ parsed_2n0a 1
8 3 1 . . . . . . . . AS_E 83 . OE2 parsed_2n0a 1
8 3 2 . . . . . . . . AS_D 80 . NZ parsed_2n0a 1
8 4 1 . . . . . . . . AS_E 46 . OE2 parsed_2n0a 1
8 4 2 . . . . . . . . AS_F 80 . NZ parsed_2n0a 1
8 5 1 . . . . . . . . AS_E 83 . OE2 parsed_2n0a 1
8 5 2 . . . . . . . . AS_F 80 . NZ parsed_2n0a 1
9 2 1 . . . . . . . . AS_F 46 . CD parsed_2n0a 1
9 2 2 . . . . . . . . AS_E 80 . NZ parsed_2n0a 1
9 3 1 . . . . . . . . AS_F 83 . CD parsed_2n0a 1
9 3 2 . . . . . . . . AS_E 80 . NZ parsed_2n0a 1
9 4 1 . . . . . . . . AS_F 46 . CD parsed_2n0a 1
9 4 2 . . . . . . . . AS_G 80 . NZ parsed_2n0a 1
9 5 1 . . . . . . . . AS_F 83 . CD parsed_2n0a 1
9 5 2 . . . . . . . . AS_G 80 . NZ parsed_2n0a 1
10 2 1 . . . . . . . . AS_F 46 . OE2 parsed_2n0a 1
10 2 2 . . . . . . . . AS_E 80 . NZ parsed_2n0a 1
10 3 1 . . . . . . . . AS_F 83 . OE2 parsed_2n0a 1
10 3 2 . . . . . . . . AS_E 80 . NZ parsed_2n0a 1
10 4 1 . . . . . . . . AS_F 46 . OE2 parsed_2n0a 1
10 4 2 . . . . . . . . AS_G 80 . NZ parsed_2n0a 1
10 5 1 . . . . . . . . AS_F 83 . OE2 parsed_2n0a 1
10 5 2 . . . . . . . . AS_G 80 . NZ parsed_2n0a 1
11 2 1 . . . . . . . . AS_G 46 . CD parsed_2n0a 1
11 2 2 . . . . . . . . AS_F 80 . NZ parsed_2n0a 1
11 3 1 . . . . . . . . AS_G 83 . CD parsed_2n0a 1
11 3 2 . . . . . . . . AS_F 80 . NZ parsed_2n0a 1
11 4 1 . . . . . . . . AS_G 46 . CD parsed_2n0a 1
11 4 2 . . . . . . . . AS_H 80 . NZ parsed_2n0a 1
11 5 1 . . . . . . . . AS_G 83 . CD parsed_2n0a 1
11 5 2 . . . . . . . . AS_H 80 . NZ parsed_2n0a 1
12 2 1 . . . . . . . . AS_G 46 . OE2 parsed_2n0a 1
12 2 2 . . . . . . . . AS_F 80 . NZ parsed_2n0a 1
12 3 1 . . . . . . . . AS_G 83 . OE2 parsed_2n0a 1
12 3 2 . . . . . . . . AS_F 80 . NZ parsed_2n0a 1
12 4 1 . . . . . . . . AS_G 46 . OE2 parsed_2n0a 1
12 4 2 . . . . . . . . AS_H 80 . NZ parsed_2n0a 1
12 5 1 . . . . . . . . AS_G 83 . OE2 parsed_2n0a 1
12 5 2 . . . . . . . . AS_H 80 . NZ parsed_2n0a 1
13 2 1 . . . . . . . . AS_H 46 . CD parsed_2n0a 1
13 2 2 . . . . . . . . AS_G 80 . NZ parsed_2n0a 1
13 3 1 . . . . . . . . AS_H 83 . CD parsed_2n0a 1
13 3 2 . . . . . . . . AS_G 80 . NZ parsed_2n0a 1
13 4 1 . . . . . . . . AS_H 46 . CD parsed_2n0a 1
13 4 2 . . . . . . . . AS_I 80 . NZ parsed_2n0a 1
13 5 1 . . . . . . . . AS_H 83 . CD parsed_2n0a 1
13 5 2 . . . . . . . . AS_I 80 . NZ parsed_2n0a 1
14 2 1 . . . . . . . . AS_H 46 . OE2 parsed_2n0a 1
14 2 2 . . . . . . . . AS_G 80 . NZ parsed_2n0a 1
14 3 1 . . . . . . . . AS_H 83 . OE2 parsed_2n0a 1
14 3 2 . . . . . . . . AS_G 80 . NZ parsed_2n0a 1
14 4 1 . . . . . . . . AS_H 46 . OE2 parsed_2n0a 1
14 4 2 . . . . . . . . AS_I 80 . NZ parsed_2n0a 1
14 5 1 . . . . . . . . AS_H 83 . OE2 parsed_2n0a 1
14 5 2 . . . . . . . . AS_I 80 . NZ parsed_2n0a 1
15 2 1 . . . . . . . . AS_I 46 . CD parsed_2n0a 1
15 2 2 . . . . . . . . AS_H 80 . NZ parsed_2n0a 1
15 3 1 . . . . . . . . AS_I 83 . CD parsed_2n0a 1
15 3 2 . . . . . . . . AS_H 80 . NZ parsed_2n0a 1
15 4 1 . . . . . . . . AS_I 46 . CD parsed_2n0a 1
15 4 2 . . . . . . . . AS_J 80 . NZ parsed_2n0a 1
15 5 1 . . . . . . . . AS_I 83 . CD parsed_2n0a 1
15 5 2 . . . . . . . . AS_J 80 . NZ parsed_2n0a 1
16 2 1 . . . . . . . . AS_I 46 . OE2 parsed_2n0a 1
16 2 2 . . . . . . . . AS_H 80 . NZ parsed_2n0a 1
16 3 1 . . . . . . . . AS_I 83 . OE2 parsed_2n0a 1
16 3 2 . . . . . . . . AS_H 80 . NZ parsed_2n0a 1
16 4 1 . . . . . . . . AS_I 46 . OE2 parsed_2n0a 1
16 4 2 . . . . . . . . AS_J 80 . NZ parsed_2n0a 1
16 5 1 . . . . . . . . AS_I 83 . OE2 parsed_2n0a 1
16 5 2 . . . . . . . . AS_J 80 . NZ parsed_2n0a 1
17 2 1 . . . . . . . . AS_B 79 . NE2 parsed_2n0a 1
17 2 2 . . . . . . . . AS_A 79 . OE1 parsed_2n0a 1
17 3 1 . . . . . . . . AS_B 79 . NE2 parsed_2n0a 1
17 3 2 . . . . . . . . AS_C 79 . OE1 parsed_2n0a 1
18 2 1 . . . . . . . . AS_C 79 . NE2 parsed_2n0a 1
18 2 2 . . . . . . . . AS_B 79 . OE1 parsed_2n0a 1
18 3 1 . . . . . . . . AS_C 79 . NE2 parsed_2n0a 1
18 3 2 . . . . . . . . AS_D 79 . OE1 parsed_2n0a 1
19 2 1 . . . . . . . . AS_D 79 . NE2 parsed_2n0a 1
19 2 2 . . . . . . . . AS_C 79 . OE1 parsed_2n0a 1
19 3 1 . . . . . . . . AS_D 79 . NE2 parsed_2n0a 1
19 3 2 . . . . . . . . AS_E 79 . OE1 parsed_2n0a 1
20 2 1 . . . . . . . . AS_E 79 . NE2 parsed_2n0a 1
20 2 2 . . . . . . . . AS_D 79 . OE1 parsed_2n0a 1
20 3 1 . . . . . . . . AS_E 79 . NE2 parsed_2n0a 1
20 3 2 . . . . . . . . AS_F 79 . OE1 parsed_2n0a 1
21 2 1 . . . . . . . . AS_F 79 . NE2 parsed_2n0a 1
21 2 2 . . . . . . . . AS_E 79 . OE1 parsed_2n0a 1
21 3 1 . . . . . . . . AS_F 79 . NE2 parsed_2n0a 1
21 3 2 . . . . . . . . AS_G 79 . OE1 parsed_2n0a 1
22 2 1 . . . . . . . . AS_G 79 . NE2 parsed_2n0a 1
22 2 2 . . . . . . . . AS_F 79 . OE1 parsed_2n0a 1
22 3 1 . . . . . . . . AS_G 79 . NE2 parsed_2n0a 1
22 3 2 . . . . . . . . AS_H 79 . OE1 parsed_2n0a 1
23 2 1 . . . . . . . . AS_H 79 . NE2 parsed_2n0a 1
23 2 2 . . . . . . . . AS_G 79 . OE1 parsed_2n0a 1
23 3 1 . . . . . . . . AS_H 79 . NE2 parsed_2n0a 1
23 3 2 . . . . . . . . AS_I 79 . OE1 parsed_2n0a 1
24 2 1 . . . . . . . . AS_I 79 . NE2 parsed_2n0a 1
24 2 2 . . . . . . . . AS_H 79 . OE1 parsed_2n0a 1
24 3 1 . . . . . . . . AS_I 79 . NE2 parsed_2n0a 1
24 3 2 . . . . . . . . AS_J 79 . OE1 parsed_2n0a 1
25 2 1 . . . . . . . . AS_B 79 . NE2 parsed_2n0a 1
25 2 2 . . . . . . . . AS_A 79 . CD parsed_2n0a 1
25 3 1 . . . . . . . . AS_B 79 . NE2 parsed_2n0a 1
25 3 2 . . . . . . . . AS_C 79 . CD parsed_2n0a 1
26 2 1 . . . . . . . . AS_C 79 . NE2 parsed_2n0a 1
26 2 2 . . . . . . . . AS_B 79 . CD parsed_2n0a 1
26 3 1 . . . . . . . . AS_C 79 . NE2 parsed_2n0a 1
26 3 2 . . . . . . . . AS_D 79 . CD parsed_2n0a 1
27 2 1 . . . . . . . . AS_D 79 . NE2 parsed_2n0a 1
27 2 2 . . . . . . . . AS_C 79 . CD parsed_2n0a 1
27 3 1 . . . . . . . . AS_D 79 . NE2 parsed_2n0a 1
27 3 2 . . . . . . . . AS_E 79 . CD parsed_2n0a 1
28 2 1 . . . . . . . . AS_E 79 . NE2 parsed_2n0a 1
28 2 2 . . . . . . . . AS_D 79 . CD parsed_2n0a 1
28 3 1 . . . . . . . . AS_E 79 . NE2 parsed_2n0a 1
28 3 2 . . . . . . . . AS_F 79 . CD parsed_2n0a 1
29 2 1 . . . . . . . . AS_F 79 . NE2 parsed_2n0a 1
29 2 2 . . . . . . . . AS_E 79 . CD parsed_2n0a 1
29 3 1 . . . . . . . . AS_F 79 . NE2 parsed_2n0a 1
29 3 2 . . . . . . . . AS_G 79 . CD parsed_2n0a 1
30 2 1 . . . . . . . . AS_G 79 . NE2 parsed_2n0a 1
30 2 2 . . . . . . . . AS_F 79 . CD parsed_2n0a 1
30 3 1 . . . . . . . . AS_G 79 . NE2 parsed_2n0a 1
30 3 2 . . . . . . . . AS_H 79 . CD parsed_2n0a 1
31 2 1 . . . . . . . . AS_H 79 . NE2 parsed_2n0a 1
31 2 2 . . . . . . . . AS_G 79 . CD parsed_2n0a 1
31 3 1 . . . . . . . . AS_H 79 . NE2 parsed_2n0a 1
31 3 2 . . . . . . . . AS_I 79 . CD parsed_2n0a 1
32 2 1 . . . . . . . . AS_I 79 . NE2 parsed_2n0a 1
32 2 2 . . . . . . . . AS_H 79 . CD parsed_2n0a 1
32 3 1 . . . . . . . . AS_I 79 . NE2 parsed_2n0a 1
32 3 2 . . . . . . . . AS_J 79 . CD parsed_2n0a 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 2 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
1 3 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
1 4 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
1 5 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
2 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
2 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
2 4 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
2 5 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
3 2 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
3 3 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
3 4 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
3 5 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
4 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
4 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
4 4 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
4 5 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
5 2 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
5 3 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
5 4 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
5 5 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
6 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
6 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
6 4 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
6 5 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
7 2 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
7 3 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
7 4 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
7 5 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
8 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
8 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
8 4 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
8 5 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
9 2 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
9 3 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
9 4 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
9 5 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
10 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
10 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
10 4 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
10 5 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
11 2 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
11 3 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
11 4 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
11 5 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
12 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
12 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
12 4 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
12 5 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
13 2 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
13 3 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
13 4 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
13 5 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
14 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
14 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
14 4 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
14 5 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
15 2 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
15 3 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
15 4 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
15 5 . . . . . 3.70 3.50 3.90 parsed_2n0a 1
16 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
16 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
16 4 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
16 5 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
17 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
17 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
18 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
18 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
19 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
19 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
20 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
20 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
21 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
21 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
22 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
22 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
23 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
23 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
24 2 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
24 3 . . . . . 2.90 2.70 3.10 parsed_2n0a 1
25 2 . . . . . 3.7 3.50 3.90 parsed_2n0a 1
25 3 . . . . . 3.7 3.50 3.90 parsed_2n0a 1
26 2 . . . . . 3.7 3.50 3.90 parsed_2n0a 1
26 3 . . . . . 3.7 3.50 3.90 parsed_2n0a 1
27 2 . . . . . 3.7 3.50 3.90 parsed_2n0a 1
27 3 . . . . . 3.7 3.50 3.90 parsed_2n0a 1
28 2 . . . . . 3.7 3.50 3.90 parsed_2n0a 1
28 3 . . . . . 3.7 3.50 3.90 parsed_2n0a 1
29 2 . . . . . 3.7 3.50 3.90 parsed_2n0a 1
29 3 . . . . . 3.7 3.50 3.90 parsed_2n0a 1
30 2 . . . . . 3.7 3.50 3.90 parsed_2n0a 1
30 3 . . . . . 3.7 3.50 3.90 parsed_2n0a 1
31 2 . . . . . 3.7 3.50 3.90 parsed_2n0a 1
31 3 . . . . . 3.7 3.50 3.90 parsed_2n0a 1
32 2 . . . . . 3.7 3.50 3.90 parsed_2n0a 1
32 3 . . . . . 3.7 3.50 3.90 parsed_2n0a 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
;
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
Intermolecular Restraints
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
;
1 1 3 83 parsed_2n0a 1
stop_
save_
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