NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
30037 |
1brz   |
cing | 2-parsed | STAR | distance | NOE | simple | 77 |
data_1brz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1brz
_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_1brz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1brz
_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 1brz "Master copy" parsed_1brz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1brz
_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 1brz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1brz 1
1 1brz.mr . . XPLOR/CNS 2 distance NOE simple 77 parsed_1brz 1
1 1brz.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_1brz 1
1 1brz.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1brz 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1brz
_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_1brz 1
2 1 . . . parsed_1brz 1
3 1 . . . parsed_1brz 1
4 1 . . . parsed_1brz 1
5 1 . . . parsed_1brz 1
6 1 . . . parsed_1brz 1
7 1 . . . parsed_1brz 1
8 1 . . . parsed_1brz 1
9 1 . . . parsed_1brz 1
10 1 . . . parsed_1brz 1
11 1 . . . parsed_1brz 1
12 1 . . . parsed_1brz 1
13 1 . . . parsed_1brz 1
14 1 . . . parsed_1brz 1
15 1 . . . parsed_1brz 1
16 1 . . . parsed_1brz 1
17 1 . . . parsed_1brz 1
18 1 . . . parsed_1brz 1
19 1 . . . parsed_1brz 1
20 1 . . . parsed_1brz 1
21 1 . . . parsed_1brz 1
22 1 . . . parsed_1brz 1
23 1 . . . parsed_1brz 1
24 1 . . . parsed_1brz 1
25 1 . . . parsed_1brz 1
26 1 . . . parsed_1brz 1
27 1 . . . parsed_1brz 1
28 1 . . . parsed_1brz 1
29 1 . . . parsed_1brz 1
30 1 . . . parsed_1brz 1
31 1 . . . parsed_1brz 1
32 1 . . . parsed_1brz 1
33 1 . . . parsed_1brz 1
34 1 . . . parsed_1brz 1
35 1 . . . parsed_1brz 1
36 1 . . . parsed_1brz 1
37 1 . . . parsed_1brz 1
38 1 . . . parsed_1brz 1
39 1 . . . parsed_1brz 1
40 1 . . . parsed_1brz 1
41 1 . . . parsed_1brz 1
42 1 . . . parsed_1brz 1
43 1 . . . parsed_1brz 1
44 1 . . . parsed_1brz 1
45 1 . . . parsed_1brz 1
46 1 . . . parsed_1brz 1
47 1 . . . parsed_1brz 1
48 1 . . . parsed_1brz 1
49 1 . . . parsed_1brz 1
50 1 . . . parsed_1brz 1
51 1 . . . parsed_1brz 1
52 1 . . . parsed_1brz 1
53 1 . . . parsed_1brz 1
54 1 . . . parsed_1brz 1
55 1 . . . parsed_1brz 1
56 1 . . . parsed_1brz 1
57 1 . . . parsed_1brz 1
58 1 . . . parsed_1brz 1
59 1 . . . parsed_1brz 1
60 1 . . . parsed_1brz 1
61 1 . . . parsed_1brz 1
62 1 . . . parsed_1brz 1
63 1 . . . parsed_1brz 1
64 1 . . . parsed_1brz 1
65 1 . . . parsed_1brz 1
66 1 . . . parsed_1brz 1
67 1 . . . parsed_1brz 1
68 1 . . . parsed_1brz 1
69 1 . . . parsed_1brz 1
70 1 . . . parsed_1brz 1
71 1 . . . parsed_1brz 1
72 1 . . . parsed_1brz 1
73 1 . . . parsed_1brz 1
74 1 . . . parsed_1brz 1
75 1 . . . parsed_1brz 1
76 1 . . . parsed_1brz 1
77 1 . . . parsed_1brz 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 . . . . . . . . . 18 . HB2 parsed_1brz 1
1 1 2 . . . . . . . . . 18 . HA parsed_1brz 1
2 1 1 . . . . . . . . . 1 . HA parsed_1brz 1
2 1 2 . . . . . . . . . 1 . HN parsed_1brz 1
3 1 1 . . . . . . . . . 48 . HA parsed_1brz 1
3 1 2 . . . . . . . . . 7 . HN parsed_1brz 1
4 1 1 . . . . . . . . . 48 . HG1* parsed_1brz 1
4 1 2 . . . . . . . . . 48 . HA parsed_1brz 1
5 1 1 . . . . . . . . . 7 . HG1* parsed_1brz 1
5 1 2 . . . . . . . . . 48 . HA parsed_1brz 1
6 1 1 . . . . . . . . . 36 . HA parsed_1brz 1
6 1 2 . . . . . . . . . 23 . HN parsed_1brz 1
7 1 1 . . . . . . . . . 24 . HA parsed_1brz 1
7 1 2 . . . . . . . . . 24 . HN parsed_1brz 1
8 1 1 . . . . . . . . . 45 . HD# parsed_1brz 1
8 1 2 . . . . . . . . . 37 . HB2 parsed_1brz 1
9 1 1 . . . . . . . . . 37 . HB2 parsed_1brz 1
9 1 2 . . . . . . . . . 37 . HA parsed_1brz 1
10 1 1 . . . . . . . . . 45 . HD* parsed_1brz 1
10 1 2 . . . . . . . . . 37 . HB2 parsed_1brz 1
11 1 1 . . . . . . . . . 43 . HA parsed_1brz 1
11 1 2 . . . . . . . . . 43 . HN parsed_1brz 1
12 1 1 . . . . . . . . . 51 . HB1 parsed_1brz 1
12 1 2 . . . . . . . . . 51 . HE+ parsed_1brz 1
13 1 1 . . . . . . . . . 51 . HB1 parsed_1brz 1
13 1 2 . . . . . . . . . 50 . HA parsed_1brz 1
14 1 1 . . . . . . . . . 51 . HB1 parsed_1brz 1
14 1 2 . . . . . . . . . 51 . HN parsed_1brz 1
15 1 1 . . . . . . . . . 4 . HB1 parsed_1brz 1
15 1 2 . . . . . . . . . 52 . HN parsed_1brz 1
16 1 1 . . . . . . . . . 4 . HB1 parsed_1brz 1
16 1 2 . . . . . . . . . 5 . HN parsed_1brz 1
17 1 1 . . . . . . . . . 49 . HB* parsed_1brz 1
17 1 2 . . . . . . . . . 50 . HN parsed_1brz 1
18 1 1 . . . . . . . . . 49 . HB* parsed_1brz 1
18 1 2 . . . . . . . . . 51 . HE+ parsed_1brz 1
19 1 1 . . . . . . . . . 32 . HB+ parsed_1brz 1
19 1 2 . . . . . . . . . 49 . HB* parsed_1brz 1
20 1 1 . . . . . . . . . 13 . HB parsed_1brz 1
20 1 2 . . . . . . . . . 13 . HN parsed_1brz 1
21 1 1 . . . . . . . . . 9 . HB# parsed_1brz 1
21 1 2 . . . . . . . . . 10 . HN parsed_1brz 1
22 1 1 . . . . . . . . . 18 . HB2 parsed_1brz 1
22 1 2 . . . . . . . . . 18 . HN parsed_1brz 1
23 1 1 . . . . . . . . . 7 . HG1* parsed_1brz 1
23 1 2 . . . . . . . . . 7 . HN parsed_1brz 1
24 1 1 . . . . . . . . . 18 . HD* parsed_1brz 1
24 1 2 . . . . . . . . . 18 . HA parsed_1brz 1
25 1 1 . . . . . . . . . 28 . HD# parsed_1brz 1
25 1 2 . . . . . . . . . 24 . HE+ parsed_1brz 1
26 1 1 . . . . . . . . . 32 . HB+ parsed_1brz 1
26 1 2 . . . . . . . . . 30 . HN parsed_1brz 1
27 1 1 . . . . . . . . . 32 . HB+ parsed_1brz 1
27 1 2 . . . . . . . . . 50 . HN parsed_1brz 1
28 1 1 . . . . . . . . . 32 . HB+ parsed_1brz 1
28 1 2 . . . . . . . . . 34 . HN parsed_1brz 1
29 1 1 . . . . . . . . . 32 . HB+ parsed_1brz 1
29 1 2 . . . . . . . . . 51 . HE+ parsed_1brz 1
30 1 1 . . . . . . . . . 32 . HB+ parsed_1brz 1
30 1 2 . . . . . . . . . 49 . HA parsed_1brz 1
31 1 1 . . . . . . . . . 45 . HD* parsed_1brz 1
31 1 2 . . . . . . . . . 17 . HN parsed_1brz 1
32 1 1 . . . . . . . . . 45 . HD# parsed_1brz 1
32 1 2 . . . . . . . . . 37 . HA parsed_1brz 1
33 1 1 . . . . . . . . . 45 . HD# parsed_1brz 1
33 1 2 . . . . . . . . . 17 . HN parsed_1brz 1
34 1 1 . . . . . . . . . 24 . HA parsed_1brz 1
34 1 2 . . . . . . . . . 24 . HE+ parsed_1brz 1
35 1 1 . . . . . . . . . 51 . HB1 parsed_1brz 1
35 1 2 . . . . . . . . . 52 . HN parsed_1brz 1
36 1 1 . . . . . . . . . 11 . HE* parsed_1brz 1
36 1 2 . . . . . . . . . 11 . HH parsed_1brz 1
37 1 1 . . . . . . . . . 11 . HE# parsed_1brz 1
37 1 2 . . . . . . . . . 11 . HH parsed_1brz 1
38 1 1 . . . . . . . . . 53 . HN parsed_1brz 1
38 1 2 . . . . . . . . . 51 . HN parsed_1brz 1
39 1 1 . . . . . . . . . 52 . HN parsed_1brz 1
39 1 2 . . . . . . . . . 51 . HN parsed_1brz 1
40 1 1 . . . . . . . . . 50 . HA parsed_1brz 1
40 1 2 . . . . . . . . . 51 . HN parsed_1brz 1
41 1 1 . . . . . . . . . 53 . HN parsed_1brz 1
41 1 2 . . . . . . . . . 52 . HN parsed_1brz 1
42 1 1 . . . . . . . . . 50 . HA parsed_1brz 1
42 1 2 . . . . . . . . . 52 . HN parsed_1brz 1
43 1 1 . . . . . . . . . 51 . HE+ parsed_1brz 1
43 1 2 . . . . . . . . . 6 . HN parsed_1brz 1
44 1 1 . . . . . . . . . 5 . HA parsed_1brz 1
44 1 2 . . . . . . . . . 6 . HN parsed_1brz 1
45 1 1 . . . . . . . . . 49 . HA parsed_1brz 1
45 1 2 . . . . . . . . . 50 . HN parsed_1brz 1
46 1 1 . . . . . . . . . 34 . HN parsed_1brz 1
46 1 2 . . . . . . . . . 50 . HN parsed_1brz 1
47 1 1 . . . . . . . . . 50 . HA parsed_1brz 1
47 1 2 . . . . . . . . . 50 . HN parsed_1brz 1
48 1 1 . . . . . . . . . 5 . HN parsed_1brz 1
48 1 2 . . . . . . . . . 6 . HN parsed_1brz 1
49 1 1 . . . . . . . . . 5 . HA parsed_1brz 1
49 1 2 . . . . . . . . . 5 . HN parsed_1brz 1
50 1 1 . . . . . . . . . 30 . HN parsed_1brz 1
50 1 2 . . . . . . . . . 31 . HN parsed_1brz 1
51 1 1 . . . . . . . . . 5 . HA parsed_1brz 1
51 1 2 . . . . . . . . . 6 . HN parsed_1brz 1
52 1 1 . . . . . . . . . 49 . HA parsed_1brz 1
52 1 2 . . . . . . . . . 50 . HA parsed_1brz 1
53 1 1 . . . . . . . . . 50 . HA parsed_1brz 1
53 1 2 . . . . . . . . . 5 . HA parsed_1brz 1
54 1 1 . . . . . . . . . 37 . HB2 parsed_1brz 1
54 1 2 . . . . . . . . . 36 . HA parsed_1brz 1
55 1 1 . . . . . . . . . 38 . HB* parsed_1brz 1
55 1 2 . . . . . . . . . 37 . HA parsed_1brz 1
56 1 1 . . . . . . . . . 18 . HD* parsed_1brz 1
56 1 2 . . . . . . . . . 19 . HN parsed_1brz 1
57 1 1 . . . . . . . . . 18 . HD* parsed_1brz 1
57 1 2 . . . . . . . . . 18 . HN parsed_1brz 1
58 1 1 . . . . . . . . . 7 . HG2* parsed_1brz 1
58 1 2 . . . . . . . . . 10 . HN parsed_1brz 1
59 1 1 . . . . . . . . . 24 . HE+ parsed_1brz 1
59 1 2 . . . . . . . . . 20 . HD2# parsed_1brz 1
60 1 1 . . . . . . . . . 32 . HB+ parsed_1brz 1
60 1 2 . . . . . . . . . 51 . HB1 parsed_1brz 1
61 1 1 . . . . . . . . . 32 . HB+ parsed_1brz 1
61 1 2 . . . . . . . . . 50 . HA parsed_1brz 1
62 1 1 . . . . . . . . . 45 . HD* parsed_1brz 1
62 1 2 . . . . . . . . . 37 . HA parsed_1brz 1
63 1 1 . . . . . . . . . 45 . HD# parsed_1brz 1
63 1 2 . . . . . . . . . 39 . HA parsed_1brz 1
64 1 1 . . . . . . . . . 18 . HD* parsed_1brz 1
64 1 2 . . . . . . . . . 17 . HN parsed_1brz 1
65 1 1 . . . . . . . . . 45 . HD* parsed_1brz 1
65 1 2 . . . . . . . . . 39 . HA parsed_1brz 1
66 1 1 . . . . . . . . . 40 . HB2 parsed_1brz 1
66 1 2 . . . . . . . . . 42 . HN parsed_1brz 1
67 1 1 . . . . . . . . . 21 . HB* parsed_1brz 1
67 1 2 . . . . . . . . . 11 . HH parsed_1brz 1
68 1 1 . . . . . . . . . 5 . HA parsed_1brz 1
68 1 2 . . . . . . . . . 51 . HN parsed_1brz 1
69 1 1 . . . . . . . . . 30 . HN parsed_1brz 1
69 1 2 . . . . . . . . . 28 . HN parsed_1brz 1
70 1 1 . . . . . . . . . 49 . HA parsed_1brz 1
70 1 2 . . . . . . . . . 34 . HN parsed_1brz 1
71 1 1 . . . . . . . . . 5 . HA parsed_1brz 1
71 1 2 . . . . . . . . . 51 . HE+ parsed_1brz 1
72 1 1 . . . . . . . . . 36 . HA parsed_1brz 1
72 1 2 . . . . . . . . . 37 . HA parsed_1brz 1
73 1 1 . . . . . . . . . 15 . HB* parsed_1brz 1
73 1 2 . . . . . . . . . 11 . HH parsed_1brz 1
74 1 1 . . . . . . . . . 21 . HB* parsed_1brz 1
74 1 2 . . . . . . . . . 21 . HE2* parsed_1brz 1
75 1 1 . . . . . . . . . 18 . HB2 parsed_1brz 1
75 1 2 . . . . . . . . . 17 . HN parsed_1brz 1
76 1 1 . . . . . . . . . 18 . HN parsed_1brz 1
76 1 2 . . . . . . . . . 17 . HN parsed_1brz 1
77 1 1 . . . . . . . . . 43 . HA parsed_1brz 1
77 1 2 . . . . . . . . . 43 . HE parsed_1brz 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 . . . . . 3.15974 1.70000 5.28000 parsed_1brz 1
2 1 . . . . . 3.47046 1.700000 3.750001 parsed_1brz 1
3 1 . . . . . 4.13195 1.700000 4.999997 parsed_1brz 1
4 1 . . . . . 3.11903 1.700000 3.499997 parsed_1brz 1
5 1 . . . . . 3.49349 1.700000 3.750004 parsed_1brz 1
6 1 . . . . . 3.57583 1.70000 5.00000 parsed_1brz 1
7 1 . . . . . 3.00886 1.700000 3.500005 parsed_1brz 1
8 1 . . . . . 3.32109 1.70000 5.53000 parsed_1brz 1
9 1 . . . . . 3.03562 1.70000 5.28000 parsed_1brz 1
10 1 . . . . . 3.61941 1.70000 6.78000 parsed_1brz 1
11 1 . . . . . 2.59734 1.699995 3.499995 parsed_1brz 1
12 1 . . . . . 3.61345 1.70000 5.00000 parsed_1brz 1
13 1 . . . . . 4.02053 1.70000 6.78000 parsed_1brz 1
14 1 . . . . . 3.33504 1.70000 5.53000 parsed_1brz 1
15 1 . . . . . 3.71739 1.70000 5.00000 parsed_1brz 1
16 1 . . . . . 3.66502 1.70000 5.00000 parsed_1brz 1
17 1 . . . . . 3.55745 1.70000 5.00000 parsed_1brz 1
18 1 . . . . . 3.43339 1.700000 3.750002 parsed_1brz 1
19 1 . . . . . 2.72716 1.700000 3.500002 parsed_1brz 1
20 1 . . . . . 3.06478 1.700000 3.500001 parsed_1brz 1
21 1 . . . . . 3.34227 1.700000 3.749995 parsed_1brz 1
22 1 . . . . . 2.77797 1.700000 3.499999 parsed_1brz 1
23 1 . . . . . 2.76716 1.70000 3.50000 parsed_1brz 1
24 1 . . . . . 3.85881 1.70000 5.00000 parsed_1brz 1
25 1 . . . . . 3.61832 1.70000 5.00000 parsed_1brz 1
26 1 . . . . . 4.3535 1.700000 5.000002 parsed_1brz 1
27 1 . . . . . 3.32529 1.70000 3.75000 parsed_1brz 1
28 1 . . . . . 3.07798 1.700000 3.500002 parsed_1brz 1
29 1 . . . . . 3.19147 1.700000 3.499997 parsed_1brz 1
30 1 . . . . . 3.3374 1.700000 3.749996 parsed_1brz 1
31 1 . . . . . 4.16748 1.700000 5.000003 parsed_1brz 1
32 1 . . . . . 3.99021 1.70000 5.00000 parsed_1brz 1
33 1 . . . . . 4.36352 1.700000 5.000002 parsed_1brz 1
34 1 . . . . . 4.17238 1.700000 5.000002 parsed_1brz 1
35 1 . . . . . 4.51247 1.70000 6.78000 parsed_1brz 1
36 1 . . . . . 3.30957 1.700000 3.749998 parsed_1brz 1
37 1 . . . . . 3.343 1.700000 3.749996 parsed_1brz 1
38 1 . . . . . 4.63899 1.700000 5.374997 parsed_1brz 1
39 1 . . . . . 3.13279 1.70000 3.50000 parsed_1brz 1
40 1 . . . . . 2.61749 1.699998 3.499998 parsed_1brz 1
41 1 . . . . . 2.85355 1.70000 3.50000 parsed_1brz 1
42 1 . . . . . 3.56508 1.70000 5.00000 parsed_1brz 1
43 1 . . . . . 3.41537 1.700000 3.750004 parsed_1brz 1
44 1 . . . . . 2.54427 1.699999 3.499999 parsed_1brz 1
45 1 . . . . . 2.69006 1.699998 3.499998 parsed_1brz 1
46 1 . . . . . 3.49848 1.70000 3.75000 parsed_1brz 1
47 1 . . . . . 3.42826 1.70000 3.75000 parsed_1brz 1
48 1 . . . . . 4.28164 1.700000 5.000004 parsed_1brz 1
49 1 . . . . . 3.1644 1.700000 3.500001 parsed_1brz 1
50 1 . . . . . 2.61693 1.700002 3.500002 parsed_1brz 1
51 1 . . . . . 2.81329 1.700000 3.500004 parsed_1brz 1
52 1 . . . . . 5.26497 1.70000 5.26497 parsed_1brz 1
53 1 . . . . . 3.58324 1.70000 5.00000 parsed_1brz 1
54 1 . . . . . 3.957 1.700 5.000 parsed_1brz 1
55 1 . . . . . 4.39246 1.70000 5.00000 parsed_1brz 1
56 1 . . . . . 4.33201 1.700000 5.000003 parsed_1brz 1
57 1 . . . . . 3.61327 1.70000 5.00000 parsed_1brz 1
58 1 . . . . . 3.77207 1.70000 5.00000 parsed_1brz 1
59 1 . . . . . 3.73093 1.70000 5.00000 parsed_1brz 1
60 1 . . . . . 4.15924 1.70000 6.78000 parsed_1brz 1
61 1 . . . . . 4.19495 1.700000 5.000004 parsed_1brz 1
62 1 . . . . . 4.37713 1.700000 4.999997 parsed_1brz 1
63 1 . . . . . 3.47141 1.700000 3.750001 parsed_1brz 1
64 1 . . . . . 4.67075 1.70000 5.37500 parsed_1brz 1
65 1 . . . . . 3.45014 1.700000 3.749998 parsed_1brz 1
66 1 . . . . . 3.7391 1.7000 5.0000 parsed_1brz 1
67 1 . . . . . 3.93502 1.70000 5.00000 parsed_1brz 1
68 1 . . . . . 4.07671 1.700000 5.000001 parsed_1brz 1
69 1 . . . . . 4.29475 1.700000 4.999999 parsed_1brz 1
70 1 . . . . . 4.47203 1.70000 5.00000 parsed_1brz 1
71 1 . . . . . 3.6513 1.7000 5.0000 parsed_1brz 1
72 1 . . . . . 4.1292 1.700000 4.999999 parsed_1brz 1
73 1 . . . . . 4.08007 1.700000 5.000005 parsed_1brz 1
74 1 . . . . . 4.14874 1.700000 5.000001 parsed_1brz 1
75 1 . . . . . 4.87997 1.700000 5.374996 parsed_1brz 1
76 1 . . . . . 3.11564 1.700000 3.499997 parsed_1brz 1
77 1 . . . . . 4.59308 1.700000 5.000001 parsed_1brz 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 "UNIQUE ASSIGNMENTS:" 1 1 1 23 parsed_1brz 1
2 "assign (resid 49 and name HB*) (resid 49 and name HA) 2.9504 1.2504 0.549596" 20 1 20 80 parsed_1brz 1
3 "assign (resid 45 and name HD#) (resid 45 and name HD*) 2.50939 0.809393 0.990607" 34 1 34 84 parsed_1brz 1
4 "assign (resid 48 and name HG1*) (resid 48 and name HB) 3.1547 1.4547 0.345298" 39 1 39 81 parsed_1brz 1
5
;
assign (resid 11 and name HD#) (resid 11 and name HD*) 2.91309 1.21309 0.586914
assign (resid 11 and name HE#) (resid 11 and name HE*) 2.71073 1.01073 0.78927
;
55 1 56 82 parsed_1brz 1
6 "added in manually resid 7 HG#, resid 10 HN" 64 1 64 45 parsed_1brz 1
7
;
.
added in manually
;
66 1 67 20 parsed_1brz 1
8 . 69 1 69 4 parsed_1brz 1
9 "assign (resid 11 and name HD#) (resid 11 and name HE#) 3.87971 2.17971 1.12029" 77 1 77 82 parsed_1brz 1
10 "assign (resid 11 and name HE#) (resid 11 and name HD*) 3.78089 2.08089 1.21911" 84 1 84 82 parsed_1brz 1
stop_
save_
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