Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
537953 | 2loe RC | 18210 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 66 |
data_2loe_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2loe
_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_2loe 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2loe
_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 2loe "Master copy" parsed_2loe
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2loe
_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 2loe.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2loe 1
1 2loe.mr . . XPLOR/CNS 2 distance NOE simple 980 parsed_2loe 1
1 2loe.mr . . XPLOR/CNS 3 distance NOE simple 497 parsed_2loe 1
1 2loe.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 66 parsed_2loe 1
1 2loe.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2loe 1
1 2loe.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2loe 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2loe
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_2loe 1
2 1 . . . parsed_2loe 1
3 1 . . . parsed_2loe 1
4 1 . . . parsed_2loe 1
5 1 . . . parsed_2loe 1
6 1 . . . parsed_2loe 1
7 1 . . . parsed_2loe 1
8 1 . . . parsed_2loe 1
9 1 . . . parsed_2loe 1
10 1 . . . parsed_2loe 1
11 1 . . . parsed_2loe 1
12 1 . . . parsed_2loe 1
13 1 . . . parsed_2loe 1
14 1 . . . parsed_2loe 1
15 1 . . . parsed_2loe 1
16 1 . . . parsed_2loe 1
17 1 . . . parsed_2loe 1
18 1 . . . parsed_2loe 1
19 1 . . . parsed_2loe 1
20 1 . . . parsed_2loe 1
21 1 . . . parsed_2loe 1
22 1 . . . parsed_2loe 1
23 1 . . . parsed_2loe 1
24 1 . . . parsed_2loe 1
25 1 . . . parsed_2loe 1
26 1 . . . parsed_2loe 1
27 1 . . . parsed_2loe 1
28 1 . . . parsed_2loe 1
29 1 . . . parsed_2loe 1
30 1 . . . parsed_2loe 1
31 1 . . . parsed_2loe 1
32 1 . . . parsed_2loe 1
33 1 . . . parsed_2loe 1
34 1 . . . parsed_2loe 1
35 1 . . . parsed_2loe 1
36 1 . . . parsed_2loe 1
37 1 . . . parsed_2loe 1
38 1 . . . parsed_2loe 1
39 1 . . . parsed_2loe 1
40 1 . . . parsed_2loe 1
41 1 . . . parsed_2loe 1
42 1 . . . parsed_2loe 1
43 1 . . . parsed_2loe 1
44 1 . . . parsed_2loe 1
45 1 . . . parsed_2loe 1
46 1 . . . parsed_2loe 1
47 1 . . . parsed_2loe 1
48 1 . . . parsed_2loe 1
49 1 . . . parsed_2loe 1
50 1 . . . parsed_2loe 1
51 1 . . . parsed_2loe 1
52 1 . . . parsed_2loe 1
53 1 . . . parsed_2loe 1
54 1 . . . parsed_2loe 1
55 1 . . . parsed_2loe 1
56 1 . . . parsed_2loe 1
57 1 . . . parsed_2loe 1
58 1 . . . parsed_2loe 1
59 1 . . . parsed_2loe 1
60 1 . . . parsed_2loe 1
61 1 . . . parsed_2loe 1
62 1 . . . parsed_2loe 1
63 1 . . . parsed_2loe 1
64 1 . . . parsed_2loe 1
65 1 . . . parsed_2loe 1
66 1 . . . parsed_2loe 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 . . . . . . . . . 15 . O parsed_2loe 1
1 1 2 . . . . . . . . . 3 . HN parsed_2loe 1
2 1 1 . . . . . . . . . 15 . O parsed_2loe 1
2 1 2 . . . . . . . . . 3 . N parsed_2loe 1
3 1 1 . . . . . . . . . 3 . O parsed_2loe 1
3 1 2 . . . . . . . . . 17 . HN parsed_2loe 1
4 1 1 . . . . . . . . . 3 . O parsed_2loe 1
4 1 2 . . . . . . . . . 17 . N parsed_2loe 1
5 1 1 . . . . . . . . . 47 . O parsed_2loe 1
5 1 2 . . . . . . . . . 4 . HN parsed_2loe 1
6 1 1 . . . . . . . . . 47 . O parsed_2loe 1
6 1 2 . . . . . . . . . 4 . N parsed_2loe 1
7 1 1 . . . . . . . . . 4 . O parsed_2loe 1
7 1 2 . . . . . . . . . 49 . HN parsed_2loe 1
8 1 1 . . . . . . . . . 4 . O parsed_2loe 1
8 1 2 . . . . . . . . . 49 . N parsed_2loe 1
9 1 1 . . . . . . . . . 6 . O parsed_2loe 1
9 1 2 . . . . . . . . . 51 . HN parsed_2loe 1
10 1 1 . . . . . . . . . 6 . O parsed_2loe 1
10 1 2 . . . . . . . . . 51 . N parsed_2loe 1
11 1 1 . . . . . . . . . 51 . O parsed_2loe 1
11 1 2 . . . . . . . . . 8 . HN parsed_2loe 1
12 1 1 . . . . . . . . . 51 . O parsed_2loe 1
12 1 2 . . . . . . . . . 8 . N parsed_2loe 1
13 1 1 . . . . . . . . . 120 . O parsed_2loe 1
13 1 2 . . . . . . . . . 36 . HN parsed_2loe 1
14 1 1 . . . . . . . . . 120 . O parsed_2loe 1
14 1 2 . . . . . . . . . 36 . N parsed_2loe 1
15 1 1 . . . . . . . . . 36 . O parsed_2loe 1
15 1 2 . . . . . . . . . 122 . HN parsed_2loe 1
16 1 1 . . . . . . . . . 36 . O parsed_2loe 1
16 1 2 . . . . . . . . . 122 . N parsed_2loe 1
17 1 1 . . . . . . . . . 122 . O parsed_2loe 1
17 1 2 . . . . . . . . . 38 . HN parsed_2loe 1
18 1 1 . . . . . . . . . 122 . O parsed_2loe 1
18 1 2 . . . . . . . . . 38 . N parsed_2loe 1
19 1 1 . . . . . . . . . 38 . O parsed_2loe 1
19 1 2 . . . . . . . . . 124 . HN parsed_2loe 1
20 1 1 . . . . . . . . . 38 . O parsed_2loe 1
20 1 2 . . . . . . . . . 124 . N parsed_2loe 1
21 1 1 . . . . . . . . . 124 . O parsed_2loe 1
21 1 2 . . . . . . . . . 40 . HN parsed_2loe 1
22 1 1 . . . . . . . . . 124 . O parsed_2loe 1
22 1 2 . . . . . . . . . 40 . N parsed_2loe 1
23 1 1 . . . . . . . . . 40 . O parsed_2loe 1
23 1 2 . . . . . . . . . 126 . HN parsed_2loe 1
24 1 1 . . . . . . . . . 40 . O parsed_2loe 1
24 1 2 . . . . . . . . . 126 . N parsed_2loe 1
25 1 1 . . . . . . . . . 126 . O parsed_2loe 1
25 1 2 . . . . . . . . . 42 . HN parsed_2loe 1
26 1 1 . . . . . . . . . 126 . O parsed_2loe 1
26 1 2 . . . . . . . . . 42 . N parsed_2loe 1
27 1 1 . . . . . . . . . 127 . Ot1 parsed_2loe 1
27 1 1 . . . . . . . . . 127 . Ot2 parsed_2loe 1
27 1 2 . . . . . . . . . 107 . HN parsed_2loe 1
28 1 1 . . . . . . . . . 127 . Ot1 parsed_2loe 1
28 1 1 . . . . . . . . . 127 . Ot2 parsed_2loe 1
28 1 2 . . . . . . . . . 107 . N parsed_2loe 1
29 1 1 . . . . . . . . . 107 . O parsed_2loe 1
29 1 2 . . . . . . . . . 127 . HN parsed_2loe 1
30 1 1 . . . . . . . . . 107 . O parsed_2loe 1
30 1 2 . . . . . . . . . 127 . N parsed_2loe 1
31 1 1 . . . . . . . . . 125 . O parsed_2loe 1
31 1 2 . . . . . . . . . 109 . HN parsed_2loe 1
32 1 1 . . . . . . . . . 125 . O parsed_2loe 1
32 1 2 . . . . . . . . . 109 . N parsed_2loe 1
33 1 1 . . . . . . . . . 109 . O parsed_2loe 1
33 1 2 . . . . . . . . . 125 . HN parsed_2loe 1
34 1 1 . . . . . . . . . 109 . O parsed_2loe 1
34 1 2 . . . . . . . . . 125 . N parsed_2loe 1
35 1 1 . . . . . . . . . 123 . O parsed_2loe 1
35 1 2 . . . . . . . . . 111 . HN parsed_2loe 1
36 1 1 . . . . . . . . . 123 . O parsed_2loe 1
36 1 2 . . . . . . . . . 111 . N parsed_2loe 1
37 1 1 . . . . . . . . . 111 . O parsed_2loe 1
37 1 2 . . . . . . . . . 123 . HN parsed_2loe 1
38 1 1 . . . . . . . . . 111 . O parsed_2loe 1
38 1 2 . . . . . . . . . 123 . N parsed_2loe 1
39 1 1 . . . . . . . . . 121 . O parsed_2loe 1
39 1 2 . . . . . . . . . 113 . HN parsed_2loe 1
40 1 1 . . . . . . . . . 121 . O parsed_2loe 1
40 1 2 . . . . . . . . . 113 . N parsed_2loe 1
41 1 1 . . . . . . . . . 113 . O parsed_2loe 1
41 1 2 . . . . . . . . . 121 . HN parsed_2loe 1
42 1 1 . . . . . . . . . 113 . O parsed_2loe 1
42 1 2 . . . . . . . . . 121 . N parsed_2loe 1
43 1 1 . . . . . . . . . 59 . O parsed_2loe 1
43 1 2 . . . . . . . . . 112 . HN parsed_2loe 1
44 1 1 . . . . . . . . . 59 . O parsed_2loe 1
44 1 2 . . . . . . . . . 112 . N parsed_2loe 1
45 1 1 . . . . . . . . . 112 . O parsed_2loe 1
45 1 2 . . . . . . . . . 59 . HN parsed_2loe 1
46 1 1 . . . . . . . . . 112 . O parsed_2loe 1
46 1 2 . . . . . . . . . 59 . N parsed_2loe 1
47 1 1 . . . . . . . . . 57 . O parsed_2loe 1
47 1 2 . . . . . . . . . 114 . HN parsed_2loe 1
48 1 1 . . . . . . . . . 57 . O parsed_2loe 1
48 1 2 . . . . . . . . . 114 . N parsed_2loe 1
49 1 1 . . . . . . . . . 114 . O parsed_2loe 1
49 1 2 . . . . . . . . . 57 . HN parsed_2loe 1
50 1 1 . . . . . . . . . 114 . O parsed_2loe 1
50 1 2 . . . . . . . . . 57 . N parsed_2loe 1
51 1 1 . . . . . . . . . 97 . O parsed_2loe 1
51 1 2 . . . . . . . . . 48 . HN parsed_2loe 1
52 1 1 . . . . . . . . . 97 . O parsed_2loe 1
52 1 2 . . . . . . . . . 48 . N parsed_2loe 1
53 1 1 . . . . . . . . . 48 . O parsed_2loe 1
53 1 2 . . . . . . . . . 97 . HN parsed_2loe 1
54 1 1 . . . . . . . . . 48 . O parsed_2loe 1
54 1 2 . . . . . . . . . 97 . N parsed_2loe 1
55 1 1 . . . . . . . . . 95 . O parsed_2loe 1
55 1 2 . . . . . . . . . 50 . HN parsed_2loe 1
56 1 1 . . . . . . . . . 95 . O parsed_2loe 1
56 1 2 . . . . . . . . . 50 . N parsed_2loe 1
57 1 1 . . . . . . . . . 50 . O parsed_2loe 1
57 1 2 . . . . . . . . . 95 . HN parsed_2loe 1
58 1 1 . . . . . . . . . 50 . O parsed_2loe 1
58 1 2 . . . . . . . . . 95 . N parsed_2loe 1
59 1 1 . . . . . . . . . 96 . O parsed_2loe 1
59 1 2 . . . . . . . . . 87 . HN parsed_2loe 1
60 1 1 . . . . . . . . . 96 . O parsed_2loe 1
60 1 2 . . . . . . . . . 87 . N parsed_2loe 1
61 1 1 . . . . . . . . . 87 . O parsed_2loe 1
61 1 2 . . . . . . . . . 96 . HN parsed_2loe 1
62 1 1 . . . . . . . . . 87 . O parsed_2loe 1
62 1 2 . . . . . . . . . 96 . N parsed_2loe 1
63 1 1 . . . . . . . . . 94 . O parsed_2loe 1
63 1 2 . . . . . . . . . 89 . HN parsed_2loe 1
64 1 1 . . . . . . . . . 94 . O parsed_2loe 1
64 1 2 . . . . . . . . . 89 . N parsed_2loe 1
65 1 1 . . . . . . . . . 89 . O parsed_2loe 1
65 1 2 . . . . . . . . . 94 . HN parsed_2loe 1
66 1 1 . . . . . . . . . 89 . O parsed_2loe 1
66 1 2 . . . . . . . . . 94 . N parsed_2loe 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 . . . . . 2.3 1.3 2.5 parsed_2loe 1
2 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
3 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
4 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
5 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
6 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
7 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
8 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
9 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
10 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
11 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
12 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
13 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
14 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
15 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
16 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
17 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
18 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
19 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
20 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
21 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
22 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
23 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
24 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
25 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
26 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
27 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
28 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
29 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
30 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
31 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
32 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
33 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
34 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
35 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
36 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
37 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
38 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
39 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
40 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
41 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
42 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
43 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
44 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
45 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
46 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
47 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
48 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
49 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
50 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
51 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
52 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
53 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
54 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
55 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
56 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
57 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
58 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
59 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
60 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
61 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
62 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
63 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
64 1 . . . . . 3.3 2.3 3.5 parsed_2loe 1
65 1 . . . . . 2.3 1.3 2.5 parsed_2loe 1
66 1 . . . . . 3.3 2.3 3.5 parsed_2loe 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 "@ END_XPLR_NOE_FILE" 1 1 1 21 parsed_2loe 1
2
;
assign (resid 17 and name O )(resid 5 and name HN ) 2.3 1 0.2
assign (resid 17 and name O )( resid 5 and name N ) 3.3 1 0.2
assign (resid 5 and name O )(resid 19 and name HN ) 2.3 1 0.2
assign (resid 5 and name O )( resid 19 and name N ) 3.3 1 0.2
assign (resid 19 and name O )(resid 7 and name HN ) 2.3 1 0.2
assign (resid 19 and name O )( resid 7 and name N ) 3.3 1 0.2
assign (resid 7 and name O )(resid 21 and name HN ) 2.3 1 0.2
assign (resid 7 and name O )( resid 21 and name N ) 3.3 1 0.2
assign (resid 21 and name O )(resid 9 and name HN ) 2.3 1 0.2
assign (resid 21 and name O )( resid 9 and name N ) 3.3 1 0.2
assign (resid 9 and name O )(resid 23 and name HN ) 2.3 1 0.2
assign (resid 9 and name O )( resid 23 and name N ) 3.3 1 0.2
assign (resid 2 and name O )(resid 47 and name HN ) 2.3 1 0.2
assign (resid 2 and name O )( resid 47 and name N ) 3.3 1 0.2
;
6 1 20 64 parsed_2loe 1
3
;
assign (resid 49 and name O )(resid 6 and name HN ) 2.3 1 0.2
assign (resid 49 and name O )( resid 6 and name N ) 3.3 1 0.2
;
25 1 26 64 parsed_2loe 1
4
;
assign (resid 34 and name O )(resid 120 and name HN ) 2.3 1 0.2
assign (resid 34 and name O )( resid 120 and name N ) 3.3 1 0.2
;
32 1 33 66 parsed_2loe 1
5
;
assign (resid 99 and name O )(resid 46 and name HN ) 2.3 1 0.2
assign (resid 99 and name O )( resid 46 and name N ) 3.3 1 0.2
assign (resid 46 and name O )(resid 99 and name HN ) 2.3 1 0.2
assign (resid 46 and name O )( resid 99 and name N ) 3.3 1 0.2
;
72 1 75 65 parsed_2loe 1
6
;
assign (resid 22 and name O )(resid 26 and name HN ) 2.3 1 0.2
assign (resid 22 and name O )( resid 26 and name N ) 3.3 1 0.2
assign (resid 77 and name O )(resid 81 and name HN ) 2.3 1 0.2
assign (resid 77 and name O )( resid 81 and name N ) 3.3 1 0.2
;
96 1 99 65 parsed_2loe 1
stop_
save_