NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
42472 |
1ywj   |
6558 | cing | 2-parsed | STAR | distance | NOE | ambi | 51 |
data_1ywj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ywj
_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_1ywj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ywj
_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 1ywj "Master copy" parsed_1ywj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ywj
_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 1ywj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ywj 1
1 1ywj.mr . . XPLOR/CNS 2 distance NOE simple 770 parsed_1ywj 1
1 1ywj.mr . . XPLOR/CNS 3 distance NOE ambi 51 parsed_1ywj 1
1 1ywj.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ywj 1
1 1ywj.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_1ywj 1
1 1ywj.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ywj 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ywj
_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 2 . OR parsed_1ywj 1
1 2 . 3 . parsed_1ywj 1
1 3 . 4 . parsed_1ywj 1
1 4 . . . parsed_1ywj 1
2 1 2 . OR parsed_1ywj 1
2 2 . 3 . parsed_1ywj 1
2 3 . 4 . parsed_1ywj 1
2 4 . . . parsed_1ywj 1
3 1 2 . OR parsed_1ywj 1
3 2 . 3 . parsed_1ywj 1
3 3 . . . parsed_1ywj 1
4 1 2 . OR parsed_1ywj 1
4 2 . 3 . parsed_1ywj 1
4 3 . . . parsed_1ywj 1
5 1 2 . OR parsed_1ywj 1
5 2 . 3 . parsed_1ywj 1
5 3 . . . parsed_1ywj 1
6 1 2 . OR parsed_1ywj 1
6 2 . 3 . parsed_1ywj 1
6 3 . . . parsed_1ywj 1
7 1 2 . OR parsed_1ywj 1
7 2 . 3 . parsed_1ywj 1
7 3 . . . parsed_1ywj 1
8 1 2 . OR parsed_1ywj 1
8 2 . 3 . parsed_1ywj 1
8 3 . . . parsed_1ywj 1
9 1 2 . OR parsed_1ywj 1
9 2 . 3 . parsed_1ywj 1
9 3 . 4 . parsed_1ywj 1
9 4 . . . parsed_1ywj 1
10 1 2 . OR parsed_1ywj 1
10 2 . 3 . parsed_1ywj 1
10 3 . . . parsed_1ywj 1
11 1 2 . OR parsed_1ywj 1
11 2 . 3 . parsed_1ywj 1
11 3 . . . parsed_1ywj 1
12 1 2 . OR parsed_1ywj 1
12 2 . 3 . parsed_1ywj 1
12 3 . . . parsed_1ywj 1
13 1 2 . OR parsed_1ywj 1
13 2 . 3 . parsed_1ywj 1
13 3 . . . parsed_1ywj 1
14 1 2 . OR parsed_1ywj 1
14 2 . 3 . parsed_1ywj 1
14 3 . . . parsed_1ywj 1
15 1 2 . OR parsed_1ywj 1
15 2 . 3 . parsed_1ywj 1
15 3 . . . parsed_1ywj 1
16 1 2 . OR parsed_1ywj 1
16 2 . 3 . parsed_1ywj 1
16 3 . . . parsed_1ywj 1
17 1 2 . OR parsed_1ywj 1
17 2 . 3 . parsed_1ywj 1
17 3 . . . parsed_1ywj 1
18 1 2 . OR parsed_1ywj 1
18 2 . 3 . parsed_1ywj 1
18 3 . 4 . parsed_1ywj 1
18 4 . . . parsed_1ywj 1
19 1 2 . OR parsed_1ywj 1
19 2 . 3 . parsed_1ywj 1
19 3 . . . parsed_1ywj 1
20 1 2 . OR parsed_1ywj 1
20 2 . 3 . parsed_1ywj 1
20 3 . . . parsed_1ywj 1
21 1 2 . OR parsed_1ywj 1
21 2 . 3 . parsed_1ywj 1
21 3 . . . parsed_1ywj 1
22 1 2 . OR parsed_1ywj 1
22 2 . 3 . parsed_1ywj 1
22 3 . . . parsed_1ywj 1
23 1 2 . OR parsed_1ywj 1
23 2 . 3 . parsed_1ywj 1
23 3 . . . parsed_1ywj 1
24 1 2 . OR parsed_1ywj 1
24 2 . 3 . parsed_1ywj 1
24 3 . . . parsed_1ywj 1
25 1 2 . OR parsed_1ywj 1
25 2 . 3 . parsed_1ywj 1
25 3 . . . parsed_1ywj 1
26 1 2 . OR parsed_1ywj 1
26 2 . 3 . parsed_1ywj 1
26 3 . . . parsed_1ywj 1
27 1 2 . OR parsed_1ywj 1
27 2 . 3 . parsed_1ywj 1
27 3 . . . parsed_1ywj 1
28 1 2 . OR parsed_1ywj 1
28 2 . 3 . parsed_1ywj 1
28 3 . . . parsed_1ywj 1
29 1 2 . OR parsed_1ywj 1
29 2 . 3 . parsed_1ywj 1
29 3 . . . parsed_1ywj 1
30 1 2 . OR parsed_1ywj 1
30 2 . 3 . parsed_1ywj 1
30 3 . . . parsed_1ywj 1
31 1 2 . OR parsed_1ywj 1
31 2 . 3 . parsed_1ywj 1
31 3 . 4 . parsed_1ywj 1
31 4 . . . parsed_1ywj 1
32 1 2 . OR parsed_1ywj 1
32 2 . 3 . parsed_1ywj 1
32 3 . . . parsed_1ywj 1
33 1 2 . OR parsed_1ywj 1
33 2 . 3 . parsed_1ywj 1
33 3 . . . parsed_1ywj 1
34 1 2 . OR parsed_1ywj 1
34 2 . 3 . parsed_1ywj 1
34 3 . . . parsed_1ywj 1
35 1 2 . OR parsed_1ywj 1
35 2 . 3 . parsed_1ywj 1
35 3 . . . parsed_1ywj 1
36 1 2 . OR parsed_1ywj 1
36 2 . 3 . parsed_1ywj 1
36 3 . . . parsed_1ywj 1
37 1 2 . OR parsed_1ywj 1
37 2 . 3 . parsed_1ywj 1
37 3 . . . parsed_1ywj 1
38 1 2 . OR parsed_1ywj 1
38 2 . 3 . parsed_1ywj 1
38 3 . . . parsed_1ywj 1
39 1 2 . OR parsed_1ywj 1
39 2 . 3 . parsed_1ywj 1
39 3 . . . parsed_1ywj 1
40 1 2 . OR parsed_1ywj 1
40 2 . 3 . parsed_1ywj 1
40 3 . 4 . parsed_1ywj 1
40 4 . . . parsed_1ywj 1
41 1 2 . OR parsed_1ywj 1
41 2 . 3 . parsed_1ywj 1
41 3 . . . parsed_1ywj 1
42 1 2 . OR parsed_1ywj 1
42 2 . 3 . parsed_1ywj 1
42 3 . . . parsed_1ywj 1
43 1 2 . OR parsed_1ywj 1
43 2 . 3 . parsed_1ywj 1
43 3 . . . parsed_1ywj 1
44 1 2 . OR parsed_1ywj 1
44 2 . 3 . parsed_1ywj 1
44 3 . . . parsed_1ywj 1
45 1 2 . OR parsed_1ywj 1
45 2 . 3 . parsed_1ywj 1
45 3 . . . parsed_1ywj 1
46 1 2 . OR parsed_1ywj 1
46 2 . 3 . parsed_1ywj 1
46 3 . . . parsed_1ywj 1
47 1 2 . OR parsed_1ywj 1
47 2 . 3 . parsed_1ywj 1
47 3 . . . parsed_1ywj 1
48 1 2 . OR parsed_1ywj 1
48 2 . 3 . parsed_1ywj 1
48 3 . . . parsed_1ywj 1
49 1 2 . OR parsed_1ywj 1
49 2 . 3 . parsed_1ywj 1
49 3 . . . parsed_1ywj 1
50 1 2 . OR parsed_1ywj 1
50 2 . 3 . parsed_1ywj 1
50 3 . . . parsed_1ywj 1
51 1 2 . OR parsed_1ywj 1
51 2 . 3 . parsed_1ywj 1
51 3 . . . parsed_1ywj 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 . . . . . . . . " " 28 . HB1 parsed_1ywj 1
1 2 2 . . . . . . . . " " 23 . HB2 parsed_1ywj 1
1 3 1 . . . . . . . . " " 28 . HB1 parsed_1ywj 1
1 3 2 . . . . . . . . " " 19 . HB1 parsed_1ywj 1
1 4 1 . . . . . . . . " " 28 . HB1 parsed_1ywj 1
1 4 2 . . . . . . . . " " 4 . HB2 parsed_1ywj 1
2 2 1 . . . . . . . . " " 34 . HA parsed_1ywj 1
2 2 2 . . . . . . . . " " 33 . HB1 parsed_1ywj 1
2 3 1 . . . . . . . . " " 34 . HA parsed_1ywj 1
2 3 2 . . . . . . . . " " 36 . HB1 parsed_1ywj 1
2 4 1 . . . . . . . . " " 34 . HA parsed_1ywj 1
2 4 2 . . . . . . . . " " 35 . HB1 parsed_1ywj 1
3 2 1 . . . . . . . . " " 27 . HG2% parsed_1ywj 1
3 2 2 . . . . . . . . " " 26 . HA parsed_1ywj 1
3 3 1 . . . . . . . . " " 27 . HG2% parsed_1ywj 1
3 3 2 . . . . . . . . " " 19 . HA parsed_1ywj 1
4 2 1 . . . . . . . . " " 21 . HB1 parsed_1ywj 1
4 2 2 . . . . . . . . " " 25 . HA2 parsed_1ywj 1
4 3 1 . . . . . . . . " " 21 . HB1 parsed_1ywj 1
4 3 2 . . . . . . . . " " 23 . HD1 parsed_1ywj 1
5 2 1 . . . . . . . . " " 19 . HG1 parsed_1ywj 1
5 2 2 . . . . . . . . " " 28 . HA parsed_1ywj 1
5 3 1 . . . . . . . . " " 19 . HG1 parsed_1ywj 1
5 3 2 . . . . . . . . " " 18 . HA parsed_1ywj 1
6 2 1 . . . . . . . . " " 26 . HG2 parsed_1ywj 1
6 2 2 . . . . . . . . " " 4 . HD1 parsed_1ywj 1
6 3 1 . . . . . . . . " " 26 . HG2 parsed_1ywj 1
6 3 2 . . . . . . . . " " 39 . HB2 parsed_1ywj 1
7 2 1 . . . . . . . . " " 17 . HA parsed_1ywj 1
7 2 2 . . . . . . . . " " 18 . HG2% parsed_1ywj 1
7 3 1 . . . . . . . . " " 17 . HA parsed_1ywj 1
7 3 2 . . . . . . . . " " 42 . HB1 parsed_1ywj 1
8 2 1 . . . . . . . . " " 38 . HG2% parsed_1ywj 1
8 2 2 . . . . . . . . " " 17 . HE3 parsed_1ywj 1
8 3 1 . . . . . . . . " " 38 . HG2% parsed_1ywj 1
8 3 2 . . . . . . . . " " 39 . HD1 parsed_1ywj 1
9 2 1 . . . . . . . . " " 28 . HB1 parsed_1ywj 1
9 2 2 . . . . . . . . " " 39 . HB1 parsed_1ywj 1
9 3 1 . . . . . . . . " " 28 . HB1 parsed_1ywj 1
9 3 2 . . . . . . . . " " 23 . HD1 parsed_1ywj 1
9 4 1 . . . . . . . . " " 29 . HA parsed_1ywj 1
9 4 2 . . . . . . . . " " 16 . HB2 parsed_1ywj 1
10 2 1 . . . . . . . . " " 39 . HA parsed_1ywj 1
10 2 2 . . . . . . . . " " 4 . HB2 parsed_1ywj 1
10 3 1 . . . . . . . . " " 39 . HA parsed_1ywj 1
10 3 2 . . . . . . . . " " 40 . HB2 parsed_1ywj 1
11 2 1 . . . . . . . . " " 32 . HA parsed_1ywj 1
11 2 2 . . . . . . . . " " 35 . HB1 parsed_1ywj 1
11 3 1 . . . . . . . . " " 32 . HA parsed_1ywj 1
11 3 2 . . . . . . . . " " 36 . HB1 parsed_1ywj 1
12 2 1 . . . . . . . . " " 31 . HA parsed_1ywj 1
12 2 2 . . . . . . . . " " 30 . HD% parsed_1ywj 1
12 3 1 . . . . . . . . " " 31 . HA parsed_1ywj 1
12 3 2 . . . . . . . . " " 17 . HZ3 parsed_1ywj 1
13 2 1 . . . . . . . . " " 21 . HG1 parsed_1ywj 1
13 2 2 . . . . . . . . " " 25 . HA2 parsed_1ywj 1
13 3 1 . . . . . . . . " " 21 . HG1 parsed_1ywj 1
13 3 2 . . . . . . . . " " 23 . HD1 parsed_1ywj 1
14 2 1 . . . . . . . . " " 34 . HB parsed_1ywj 1
14 2 2 . . . . . . . . " " 17 . HH2 parsed_1ywj 1
14 3 1 . . . . . . . . " " 38 . HB parsed_1ywj 1
14 3 2 . . . . . . . . " " 17 . HH2 parsed_1ywj 1
15 2 1 . . . . . . . . " " 30 . HD% parsed_1ywj 1
15 2 2 . . . . . . . . " " 36 . HA parsed_1ywj 1
15 3 1 . . . . . . . . " " 30 . HD% parsed_1ywj 1
15 3 2 . . . . . . . . " " 31 . HA parsed_1ywj 1
16 2 1 . . . . . . . . " " 17 . HZ2 parsed_1ywj 1
16 2 2 . . . . . . . . " " 34 . HB parsed_1ywj 1
16 3 1 . . . . . . . . " " 17 . HZ2 parsed_1ywj 1
16 3 2 . . . . . . . . " " 38 . HB parsed_1ywj 1
17 2 1 . . . . . . . . " " 17 . HH2 parsed_1ywj 1
17 2 2 . . . . . . . . " " 40 . HG1 parsed_1ywj 1
17 3 1 . . . . . . . . " " 17 . HH2 parsed_1ywj 1
17 3 2 . . . . . . . . " " 31 . HB1 parsed_1ywj 1
18 2 1 . . . . . . . . " " 17 . HE3 parsed_1ywj 1
18 2 2 . . . . . . . . " " 31 . HB1 parsed_1ywj 1
18 3 1 . . . . . . . . " " 17 . HE3 parsed_1ywj 1
18 3 2 . . . . . . . . " " 40 . HG1 parsed_1ywj 1
18 4 1 . . . . . . . . " " 17 . HE3 parsed_1ywj 1
18 4 2 . . . . . . . . " " 42 . HD2 parsed_1ywj 1
19 2 1 . . . . . . . . " " 17 . HZ2 parsed_1ywj 1
19 2 2 . . . . . . . . " " 31 . HB1 parsed_1ywj 1
19 3 1 . . . . . . . . " " 17 . HZ2 parsed_1ywj 1
19 3 2 . . . . . . . . " " 40 . HG1 parsed_1ywj 1
20 2 1 . . . . . . . . " " 39 . HH2 parsed_1ywj 1
20 2 2 . . . . . . . . " " 28 . HB1 parsed_1ywj 1
20 3 1 . . . . . . . . " " 39 . HH2 parsed_1ywj 1
20 3 2 . . . . . . . . " " 23 . HB1 parsed_1ywj 1
21 2 1 . . . . . . . . " " 39 . HE3 parsed_1ywj 1
21 2 2 . . . . . . . . " " 26 . HG1 parsed_1ywj 1
21 3 1 . . . . . . . . " " 39 . HE3 parsed_1ywj 1
21 3 2 . . . . . . . . " " 4 . HG1 parsed_1ywj 1
22 2 1 . . . . . . . . " " 39 . HH2 parsed_1ywj 1
22 2 2 . . . . . . . . " " 26 . HD1 parsed_1ywj 1
22 3 1 . . . . . . . . " " 39 . HH2 parsed_1ywj 1
22 3 2 . . . . . . . . " " 24 . HB2 parsed_1ywj 1
23 2 1 . . . . . . . . " " 29 . HD% parsed_1ywj 1
23 2 2 . . . . . . . . " " 19 . HA parsed_1ywj 1
23 3 1 . . . . . . . . " " 29 . HD% parsed_1ywj 1
23 3 2 . . . . . . . . " " 40 . HA parsed_1ywj 1
24 2 1 . . . . . . . . " " 28 . HE% parsed_1ywj 1
24 2 2 . . . . . . . . " " 23 . HD1 parsed_1ywj 1
24 3 1 . . . . . . . . " " 28 . HE% parsed_1ywj 1
24 3 2 . . . . . . . . " " 39 . HB1 parsed_1ywj 1
25 2 1 . . . . . . . . " " 18 . HG2% parsed_1ywj 1
25 2 2 . . . . . . . . " " 19 . HA parsed_1ywj 1
25 3 1 . . . . . . . . " " 18 . HG2% parsed_1ywj 1
25 3 2 . . . . . . . . " " 16 . HA parsed_1ywj 1
26 2 1 . . . . . . . . " " 9 . HN parsed_1ywj 1
26 2 2 . . . . . . . . " " 4 . HB1 parsed_1ywj 1
26 3 1 . . . . . . . . " " 9 . HN parsed_1ywj 1
26 3 2 . . . . . . . . " " 40 . HB2 parsed_1ywj 1
27 2 1 . . . . . . . . " " 19 . HN parsed_1ywj 1
27 2 2 . . . . . . . . " " 18 . HN parsed_1ywj 1
27 3 1 . . . . . . . . " " 19 . HN parsed_1ywj 1
27 3 2 . . . . . . . . " " 30 . HN parsed_1ywj 1
28 2 1 . . . . . . . . " " 31 . HN parsed_1ywj 1
28 2 2 . . . . . . . . " " 17 . HZ3 parsed_1ywj 1
28 3 1 . . . . . . . . " " 31 . HN parsed_1ywj 1
28 3 2 . . . . . . . . " " 36 . HE22 parsed_1ywj 1
29 2 1 . . . . . . . . " " 15 . HN parsed_1ywj 1
29 2 2 . . . . . . . . " " 14 . HB1 parsed_1ywj 1
29 3 1 . . . . . . . . " " 15 . HN parsed_1ywj 1
29 3 2 . . . . . . . . " " 16 . HB2 parsed_1ywj 1
30 2 1 . . . . . . . . " " 27 . HN parsed_1ywj 1
30 2 2 . . . . . . . . " " 26 . HG1 parsed_1ywj 1
30 3 1 . . . . . . . . " " 27 . HN parsed_1ywj 1
30 3 2 . . . . . . . . " " 4 . HG1 parsed_1ywj 1
31 2 1 . . . . . . . . " " 32 . HN parsed_1ywj 1
31 2 2 . . . . . . . . " " 16 . HB1 parsed_1ywj 1
31 3 1 . . . . . . . . " " 32 . HN parsed_1ywj 1
31 3 2 . . . . . . . . " " 33 . HB1 parsed_1ywj 1
31 4 1 . . . . . . . . " " 32 . HN parsed_1ywj 1
31 4 2 . . . . . . . . " " 16 . HE% parsed_1ywj 1
32 2 1 . . . . . . . . " " 20 . HN parsed_1ywj 1
32 2 2 . . . . . . . . " " 30 . HB1 parsed_1ywj 1
32 3 1 . . . . . . . . " " 20 . HN parsed_1ywj 1
32 3 2 . . . . . . . . " " 29 . HB2 parsed_1ywj 1
33 2 1 . . . . . . . . " " 30 . HN parsed_1ywj 1
33 2 2 . . . . . . . . " " 28 . HD% parsed_1ywj 1
33 3 1 . . . . . . . . " " 30 . HN parsed_1ywj 1
33 3 2 . . . . . . . . " " 29 . HD% parsed_1ywj 1
34 2 1 . . . . . . . . " " 24 . HN parsed_1ywj 1
34 2 2 . . . . . . . . " " 25 . HA2 parsed_1ywj 1
34 3 1 . . . . . . . . " " 24 . HN parsed_1ywj 1
34 3 2 . . . . . . . . " " 23 . HD1 parsed_1ywj 1
35 2 1 . . . . . . . . " " 12 . HN parsed_1ywj 1
35 2 2 . . . . . . . . " " 13 . HB% parsed_1ywj 1
35 3 1 . . . . . . . . " " 15 . HN parsed_1ywj 1
35 3 2 . . . . . . . . " " 14 . HG1 parsed_1ywj 1
36 2 1 . . . . . . . . " " 37 . HN parsed_1ywj 1
36 2 2 . . . . . . . . " " 35 . HN parsed_1ywj 1
36 3 1 . . . . . . . . " " 37 . HN parsed_1ywj 1
36 3 2 . . . . . . . . " " 39 . HE3 parsed_1ywj 1
37 2 1 . . . . . . . . " " 18 . HN parsed_1ywj 1
37 2 2 . . . . . . . . " " 29 . HB2 parsed_1ywj 1
37 3 1 . . . . . . . . " " 18 . HN parsed_1ywj 1
37 3 2 . . . . . . . . " " 30 . HB1 parsed_1ywj 1
38 2 1 . . . . . . . . " " 39 . HN parsed_1ywj 1
38 2 2 . . . . . . . . " " 40 . HB1 parsed_1ywj 1
38 3 1 . . . . . . . . " " 39 . HN parsed_1ywj 1
38 3 2 . . . . . . . . " " 4 . HB1 parsed_1ywj 1
39 2 1 . . . . . . . . " " 22 . HN parsed_1ywj 1
39 2 2 . . . . . . . . " " 26 . HB1 parsed_1ywj 1
39 3 1 . . . . . . . . " " 22 . HN parsed_1ywj 1
39 3 2 . . . . . . . . " " 19 . HG1 parsed_1ywj 1
40 2 1 . . . . . . . . " " 28 . HN parsed_1ywj 1
40 2 2 . . . . . . . . " " 21 . HG1 parsed_1ywj 1
40 3 1 . . . . . . . . " " 28 . HN parsed_1ywj 1
40 3 2 . . . . . . . . " " 8 . HB% parsed_1ywj 1
40 4 1 . . . . . . . . " " 28 . HN parsed_1ywj 1
40 4 2 . . . . . . . . " " 32 . HG2% parsed_1ywj 1
41 2 1 . . . . . . . . " " 28 . HN parsed_1ywj 1
41 2 2 . . . . . . . . " " 19 . HA parsed_1ywj 1
41 3 1 . . . . . . . . " " 28 . HN parsed_1ywj 1
41 3 2 . . . . . . . . " " 20 . HA parsed_1ywj 1
42 2 1 . . . . . . . . " " 38 . HN parsed_1ywj 1
42 2 2 . . . . . . . . " " 39 . HN parsed_1ywj 1
42 3 1 . . . . . . . . " " 38 . HN parsed_1ywj 1
42 3 2 . . . . . . . . " " 37 . HN parsed_1ywj 1
43 2 1 . . . . . . . . " " 22 . HN parsed_1ywj 1
43 2 2 . . . . . . . . " " 21 . HN parsed_1ywj 1
43 3 1 . . . . . . . . " " 22 . HN parsed_1ywj 1
43 3 2 . . . . . . . . " " 25 . HN parsed_1ywj 1
44 2 1 . . . . . . . . " " 18 . HN parsed_1ywj 1
44 2 2 . . . . . . . . " " 17 . HN parsed_1ywj 1
44 3 1 . . . . . . . . " " 18 . HN parsed_1ywj 1
44 3 2 . . . . . . . . " " 33 . HN parsed_1ywj 1
45 2 1 . . . . . . . . " " 19 . HN parsed_1ywj 1
45 2 2 . . . . . . . . " " 29 . HD% parsed_1ywj 1
45 3 1 . . . . . . . . " " 19 . HN parsed_1ywj 1
45 3 2 . . . . . . . . " " 28 . HD% parsed_1ywj 1
46 2 1 . . . . . . . . " " 32 . HN parsed_1ywj 1
46 2 2 . . . . . . . . " " 18 . HA parsed_1ywj 1
46 3 1 . . . . . . . . " " 32 . HN parsed_1ywj 1
46 3 2 . . . . . . . . " " 38 . HA parsed_1ywj 1
47 2 1 . . . . . . . . " " 17 . HE1 parsed_1ywj 1
47 2 2 . . . . . . . . " " 43 . HN parsed_1ywj 1
47 3 1 . . . . . . . . " " 17 . HE1 parsed_1ywj 1
47 3 2 . . . . . . . . " " 33 . HN parsed_1ywj 1
48 2 1 . . . . . . . . " " 20 . HN parsed_1ywj 1
48 2 2 . . . . . . . . " " 30 . HN parsed_1ywj 1
48 3 1 . . . . . . . . " " 20 . HN parsed_1ywj 1
48 3 2 . . . . . . . . " " 22 . HN parsed_1ywj 1
49 2 1 . . . . . . . . " " 30 . HN parsed_1ywj 1
49 2 2 . . . . . . . . " " 18 . HA parsed_1ywj 1
49 3 1 . . . . . . . . " " 30 . HN parsed_1ywj 1
49 3 2 . . . . . . . . " " 28 . HA parsed_1ywj 1
50 2 1 . . . . . . . . " " 32 . HN parsed_1ywj 1
50 2 2 . . . . . . . . " " 30 . HD% parsed_1ywj 1
50 3 1 . . . . . . . . " " 32 . HN parsed_1ywj 1
50 3 2 . . . . . . . . " " 17 . HZ3 parsed_1ywj 1
51 2 1 . . . . . . . . " " 21 . HN parsed_1ywj 1
51 2 2 . . . . . . . . " " 28 . HD% parsed_1ywj 1
51 3 1 . . . . . . . . " " 21 . HN parsed_1ywj 1
51 3 2 . . . . . . . . " " 20 . HD2 parsed_1ywj 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 . 164 0.14898E-02 . . 3.500 0.000 6.000 parsed_1ywj 1
1 3 . 164 0.14898E-02 . . 3.500 0.000 6.000 parsed_1ywj 1
1 4 . 164 0.14898E-02 . . 3.500 0.000 6.000 parsed_1ywj 1
2 2 . 215 0.71457E-03 . . 3.900 2.000 5.800 parsed_1ywj 1
2 3 . 215 0.71457E-03 . . 3.900 2.000 5.800 parsed_1ywj 1
2 4 . 215 0.71457E-03 . . 3.900 2.000 5.800 parsed_1ywj 1
3 2 . 220 0.65523E-03 . . 4.500 1.900 6.000 parsed_1ywj 1
3 3 . 220 0.65523E-03 . . 4.500 1.900 6.000 parsed_1ywj 1
4 2 . 225 0.60007E-03 . . 3.400 2.000 4.800 parsed_1ywj 1
4 3 . 225 0.60007E-03 . . 3.400 2.000 4.800 parsed_1ywj 1
5 2 . 250 0.39729E-03 . . 3.900 2.000 5.800 parsed_1ywj 1
5 3 . 250 0.39729E-03 . . 3.900 2.000 5.800 parsed_1ywj 1
6 2 . 264 0.32417E-03 . . 4.900 2.000 6.000 parsed_1ywj 1
6 3 . 264 0.32417E-03 . . 4.900 2.000 6.000 parsed_1ywj 1
7 2 . 270 0.30210E-03 . . 4.500 2.000 6.000 parsed_1ywj 1
7 3 . 270 0.30210E-03 . . 4.500 2.000 6.000 parsed_1ywj 1
8 2 . 277 0.28141E-03 . . 4.900 2.000 6.000 parsed_1ywj 1
8 3 . 277 0.28141E-03 . . 4.900 2.000 6.000 parsed_1ywj 1
9 2 . 280 0.26899E-03 . . 4.600 1.900 6.000 parsed_1ywj 1
9 3 . 280 0.26899E-03 . . 4.600 1.900 6.000 parsed_1ywj 1
9 4 . 280 0.26899E-03 . . 4.600 1.900 6.000 parsed_1ywj 1
10 2 . 303 0.16553E-03 . . 5.200 1.800 6.000 parsed_1ywj 1
10 3 . 303 0.16553E-03 . . 5.200 1.800 6.000 parsed_1ywj 1
11 2 . 306 0.16415E-03 . . 5.000 1.800 6.000 parsed_1ywj 1
11 3 . 306 0.16415E-03 . . 5.000 1.800 6.000 parsed_1ywj 1
12 2 . 311 0.15588E-03 . . 4.800 1.900 6.000 parsed_1ywj 1
12 3 . 311 0.15588E-03 . . 4.800 1.900 6.000 parsed_1ywj 1
13 2 . 322 0.13311E-03 . . 4.800 1.900 6.000 parsed_1ywj 1
13 3 . 322 0.13311E-03 . . 4.800 1.900 6.000 parsed_1ywj 1
14 2 . 326 0.11505E-03 . . 5.600 1.700 6.000 parsed_1ywj 1
14 3 . 326 0.11505E-03 . . 5.600 1.700 6.000 parsed_1ywj 1
15 2 . 359 0.10829E-04 . . 6.000 0.000 6.000 parsed_1ywj 1
15 3 . 359 0.10829E-04 . . 6.000 0.000 6.000 parsed_1ywj 1
16 2 . 367 0.61111E-04 . . 5.500 1.700 6.000 parsed_1ywj 1
16 3 . 367 0.61111E-04 . . 5.500 1.700 6.000 parsed_1ywj 1
17 2 . 375 0.88835E-04 . . 5.200 1.900 6.000 parsed_1ywj 1
17 3 . 375 0.88835E-04 . . 5.200 1.900 6.000 parsed_1ywj 1
18 2 . 378 0.10070E-03 . . 5.700 1.700 6.000 parsed_1ywj 1
18 3 . 378 0.10070E-03 . . 5.700 1.700 6.000 parsed_1ywj 1
18 4 . 378 0.10070E-03 . . 5.700 1.700 6.000 parsed_1ywj 1
19 2 . 380 0.10318E-03 . . 5.300 1.800 6.000 parsed_1ywj 1
19 3 . 380 0.10318E-03 . . 5.300 1.800 6.000 parsed_1ywj 1
20 2 . 381 0.10677E-03 . . 5.000 1.900 6.000 parsed_1ywj 1
20 3 . 381 0.10677E-03 . . 5.000 1.900 6.000 parsed_1ywj 1
21 2 . 384 0.10760E-03 . . 4.300 2.000 6.000 parsed_1ywj 1
21 3 . 384 0.10760E-03 . . 4.300 2.000 6.000 parsed_1ywj 1
22 2 . 400 0.18484E-03 . . 4.400 2.000 6.000 parsed_1ywj 1
22 3 . 400 0.18484E-03 . . 4.400 2.000 6.000 parsed_1ywj 1
23 2 . 424 0.42487E-03 . . 4.300 1.900 6.000 parsed_1ywj 1
23 3 . 424 0.42487E-03 . . 4.300 1.900 6.000 parsed_1ywj 1
24 2 . 426 0.45521E-03 . . 3.300 1.900 4.700 parsed_1ywj 1
24 3 . 426 0.45521E-03 . . 3.300 1.900 4.700 parsed_1ywj 1
25 2 . 468 0.48003E-02 . . 2.700 0.000 6.000 parsed_1ywj 1
25 3 . 468 0.48003E-02 . . 2.700 0.000 6.000 parsed_1ywj 1
26 2 . 8 0.92214E-02 . . 2.900 0.000 6.000 parsed_1ywj 1
26 3 . 8 0.92214E-02 . . 2.900 0.000 6.000 parsed_1ywj 1
27 2 . 100 0.17256E-02 . . 3.500 2.000 5.000 parsed_1ywj 1
27 3 . 100 0.17256E-02 . . 3.500 2.000 5.000 parsed_1ywj 1
28 2 . 103 0.15909E-02 . . 3.300 1.900 4.700 parsed_1ywj 1
28 3 . 103 0.15909E-02 . . 3.300 1.900 4.700 parsed_1ywj 1
29 2 . 112 0.14021E-02 . . 3.400 1.900 4.900 parsed_1ywj 1
29 3 . 112 0.14021E-02 . . 3.400 1.900 4.900 parsed_1ywj 1
30 2 . 115 0.13428E-02 . . 3.500 2.000 5.000 parsed_1ywj 1
30 3 . 115 0.13428E-02 . . 3.500 2.000 5.000 parsed_1ywj 1
31 2 . 120 0.12565E-02 . . 4.000 2.000 6.000 parsed_1ywj 1
31 3 . 120 0.12565E-02 . . 4.000 2.000 6.000 parsed_1ywj 1
31 4 . 120 0.12565E-02 . . 4.000 2.000 6.000 parsed_1ywj 1
32 2 . 138 0.10084E-02 . . 4.100 2.000 6.000 parsed_1ywj 1
32 3 . 138 0.10084E-02 . . 4.100 2.000 6.000 parsed_1ywj 1
33 2 . 141 0.97067E-03 . . 3.800 2.000 5.600 parsed_1ywj 1
33 3 . 141 0.97067E-03 . . 3.800 2.000 5.600 parsed_1ywj 1
34 2 . 143 0.97067E-03 . . 4.600 1.900 6.000 parsed_1ywj 1
34 3 . 143 0.97067E-03 . . 4.600 1.900 6.000 parsed_1ywj 1
35 2 . 149 0.87901E-03 . . 4.000 2.000 6.000 parsed_1ywj 1
35 3 . 149 0.87901E-03 . . 4.000 2.000 6.000 parsed_1ywj 1
36 2 . 182 0.66868E-03 . . 3.100 0.000 6.000 parsed_1ywj 1
36 3 . 182 0.66868E-03 . . 3.100 0.000 6.000 parsed_1ywj 1
37 2 . 184 0.64711E-03 . . 3.500 1.900 5.100 parsed_1ywj 1
37 3 . 184 0.64711E-03 . . 3.500 1.900 5.100 parsed_1ywj 1
38 2 . 203 0.52147E-03 . . 3.800 2.000 5.600 parsed_1ywj 1
38 3 . 203 0.52147E-03 . . 3.800 2.000 5.600 parsed_1ywj 1
39 2 . 212 0.45678E-03 . . 5.000 1.800 6.000 parsed_1ywj 1
39 3 . 212 0.45678E-03 . . 5.000 1.800 6.000 parsed_1ywj 1
40 2 . 231 0.34783E-03 . . 3.400 0.000 6.000 parsed_1ywj 1
40 3 . 231 0.34783E-03 . . 3.400 0.000 6.000 parsed_1ywj 1
40 4 . 231 0.34783E-03 . . 3.400 0.000 6.000 parsed_1ywj 1
41 2 . 234 0.33111E-03 . . 4.700 1.900 6.000 parsed_1ywj 1
41 3 . 234 0.33111E-03 . . 4.700 1.900 6.000 parsed_1ywj 1
42 2 . 241 0.29714E-03 . . 4.700 2.000 6.000 parsed_1ywj 1
42 3 . 241 0.29714E-03 . . 4.700 2.000 6.000 parsed_1ywj 1
43 2 . 245 0.28204E-03 . . 5.000 1.900 6.000 parsed_1ywj 1
43 3 . 245 0.28204E-03 . . 5.000 1.900 6.000 parsed_1ywj 1
44 2 . 249 0.26478E-03 . . 5.000 1.900 6.000 parsed_1ywj 1
44 3 . 249 0.26478E-03 . . 5.000 1.900 6.000 parsed_1ywj 1
45 2 . 259 0.23782E-03 . . 5.400 1.700 6.000 parsed_1ywj 1
45 3 . 259 0.23782E-03 . . 5.400 1.700 6.000 parsed_1ywj 1
46 2 . 262 0.22272E-03 . . 3.500 0.000 6.000 parsed_1ywj 1
46 3 . 262 0.22272E-03 . . 3.500 0.000 6.000 parsed_1ywj 1
47 2 . 273 0.19683E-03 . . 4.800 2.000 6.000 parsed_1ywj 1
47 3 . 273 0.19683E-03 . . 4.800 2.000 6.000 parsed_1ywj 1
48 2 . 282 0.18443E-03 . . 5.500 1.800 6.000 parsed_1ywj 1
48 3 . 282 0.18443E-03 . . 5.500 1.800 6.000 parsed_1ywj 1
49 2 . 292 0.16933E-03 . . 5.100 1.900 6.000 parsed_1ywj 1
49 3 . 292 0.16933E-03 . . 5.100 1.900 6.000 parsed_1ywj 1
50 2 . 301 0.14938E-03 . . 5.200 1.800 6.000 parsed_1ywj 1
50 3 . 301 0.14938E-03 . . 5.200 1.800 6.000 parsed_1ywj 1
51 2 . 320 0.83047E-04 . . 6.000 0.900 6.000 parsed_1ywj 1
51 3 . 320 0.83047E-04 . . 6.000 0.900 6.000 parsed_1ywj 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
1 164 4 7 4 7 parsed_1ywj 1
2 164 8 5 8 5 parsed_1ywj 1
3 164 11 5 11 5 parsed_1ywj 1
4 "Ambiguous distance restraints" 2 1 2 32 parsed_1ywj 1
5 215 14 7 14 7 parsed_1ywj 1
6 215 18 5 18 5 parsed_1ywj 1
7 215 21 5 21 5 parsed_1ywj 1
8 220 24 7 24 7 parsed_1ywj 1
9 220 28 5 28 5 parsed_1ywj 1
10 225 31 7 31 7 parsed_1ywj 1
11 225 35 5 35 5 parsed_1ywj 1
12 250 38 7 38 7 parsed_1ywj 1
13 250 42 5 42 5 parsed_1ywj 1
14 264 45 7 45 7 parsed_1ywj 1
15 264 49 5 49 5 parsed_1ywj 1
16 270 52 7 52 7 parsed_1ywj 1
17 270 56 5 56 5 parsed_1ywj 1
18 277 59 7 59 7 parsed_1ywj 1
19 277 63 5 63 5 parsed_1ywj 1
20 280 66 7 66 7 parsed_1ywj 1
21 280 70 5 70 5 parsed_1ywj 1
22 287 77 5 77 5 parsed_1ywj 1
23
;
ASSI { 287}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 4 and name HB1 ))
4.100 2.100 1.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.22899E-03 ppm1 5.305 ppm2 1.840 CV 1
;
73 1 76 139 parsed_1ywj 1
24 303 80 7 80 7 parsed_1ywj 1
25 303 84 5 84 5 parsed_1ywj 1
26 306 87 7 87 7 parsed_1ywj 1
27 306 91 5 91 5 parsed_1ywj 1
28 311 94 7 94 7 parsed_1ywj 1
29 311 98 5 98 5 parsed_1ywj 1
30 322 101 7 101 7 parsed_1ywj 1
31 322 105 5 105 5 parsed_1ywj 1
32 326 108 7 108 7 parsed_1ywj 1
33 326 112 5 112 5 parsed_1ywj 1
34 359 115 7 115 7 parsed_1ywj 1
35 359 119 5 119 5 parsed_1ywj 1
36 367 122 7 122 7 parsed_1ywj 1
37 367 126 5 126 5 parsed_1ywj 1
38 375 129 7 129 7 parsed_1ywj 1
39 375 133 5 133 5 parsed_1ywj 1
40 378 136 7 136 7 parsed_1ywj 1
41 378 140 5 140 5 parsed_1ywj 1
42 378 143 5 143 5 parsed_1ywj 1
43 380 146 7 146 7 parsed_1ywj 1
44 380 150 5 150 5 parsed_1ywj 1
45 381 153 7 153 7 parsed_1ywj 1
46 381 157 5 157 5 parsed_1ywj 1
47 384 160 7 160 7 parsed_1ywj 1
48 384 164 5 164 5 parsed_1ywj 1
49 400 167 7 167 7 parsed_1ywj 1
50 400 171 5 171 5 parsed_1ywj 1
51 424 174 7 174 7 parsed_1ywj 1
52 424 178 5 178 5 parsed_1ywj 1
53 426 181 7 181 7 parsed_1ywj 1
54 426 185 5 185 5 parsed_1ywj 1
55 468 188 7 188 7 parsed_1ywj 1
56 468 192 5 192 5 parsed_1ywj 1
57 8 195 7 195 7 parsed_1ywj 1
58 8 199 5 199 5 parsed_1ywj 1
59 100 202 7 202 7 parsed_1ywj 1
60 100 206 5 206 5 parsed_1ywj 1
61 103 209 7 209 7 parsed_1ywj 1
62 103 213 5 213 5 parsed_1ywj 1
63 112 216 7 216 7 parsed_1ywj 1
64 112 220 5 220 5 parsed_1ywj 1
65 115 223 7 223 7 parsed_1ywj 1
66 115 227 5 227 5 parsed_1ywj 1
67 120 230 7 230 7 parsed_1ywj 1
68 120 234 5 234 5 parsed_1ywj 1
69 120 237 5 237 5 parsed_1ywj 1
70 138 240 7 240 7 parsed_1ywj 1
71 138 244 5 244 5 parsed_1ywj 1
72 141 247 7 247 7 parsed_1ywj 1
73 141 251 5 251 5 parsed_1ywj 1
74 143 254 7 254 7 parsed_1ywj 1
75 143 258 5 258 5 parsed_1ywj 1
76 149 261 7 261 7 parsed_1ywj 1
77 149 265 5 265 5 parsed_1ywj 1
78 182 268 7 268 7 parsed_1ywj 1
79 182 272 5 272 5 parsed_1ywj 1
80 184 275 7 275 7 parsed_1ywj 1
81 184 279 5 279 5 parsed_1ywj 1
82 203 282 7 282 7 parsed_1ywj 1
83 203 286 5 286 5 parsed_1ywj 1
84 212 289 7 289 7 parsed_1ywj 1
85 212 293 5 293 5 parsed_1ywj 1
86 231 296 7 296 7 parsed_1ywj 1
87 231 300 5 300 5 parsed_1ywj 1
88 231 303 5 303 5 parsed_1ywj 1
89 234 306 7 306 7 parsed_1ywj 1
90 234 310 5 310 5 parsed_1ywj 1
91 241 313 7 313 7 parsed_1ywj 1
92 241 317 5 317 5 parsed_1ywj 1
93 245 320 7 320 7 parsed_1ywj 1
94 245 324 5 324 5 parsed_1ywj 1
95 249 327 7 327 7 parsed_1ywj 1
96 249 331 5 331 5 parsed_1ywj 1
97 259 334 7 334 7 parsed_1ywj 1
98 259 338 5 338 5 parsed_1ywj 1
99 262 341 7 341 7 parsed_1ywj 1
100 262 345 5 345 5 parsed_1ywj 1
101 273 348 7 348 7 parsed_1ywj 1
102 273 352 5 352 5 parsed_1ywj 1
103 282 355 7 355 7 parsed_1ywj 1
104 282 359 5 359 5 parsed_1ywj 1
105 292 362 7 362 7 parsed_1ywj 1
106 292 366 5 366 5 parsed_1ywj 1
107 301 369 7 369 7 parsed_1ywj 1
108 301 373 5 373 5 parsed_1ywj 1
109 320 376 7 376 7 parsed_1ywj 1
110 320 380 5 380 5 parsed_1ywj 1
stop_
save_
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