NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
532825 |
2kds   |
cing | 2-parsed | STAR | distance | hydrogen bond | ambi | 44 |
data_2kds_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kds
_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_2kds 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kds
_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 2kds "Master copy" parsed_2kds
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kds
_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 2kds.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kds 1
1 2kds.mr . . XPLOR/CNS 2 distance NOE ambi 1545 parsed_2kds 1
1 2kds.mr . . XPLOR/CNS 3 distance "hydrogen bond" ambi 44 parsed_2kds 1
1 2kds.mr . . XPLOR/CNS 4 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2kds 1
1 2kds.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kds 1
1 2kds.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kds 1
1 2kds.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kds 1
1 2kds.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kds 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kds
_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_2kds 1
2 1 . . . parsed_2kds 1
3 1 . . . parsed_2kds 1
4 1 . . . parsed_2kds 1
5 1 . . . parsed_2kds 1
6 1 . . . parsed_2kds 1
7 1 . . . parsed_2kds 1
8 1 . . . parsed_2kds 1
9 1 . . . parsed_2kds 1
10 1 . . . parsed_2kds 1
11 1 . . . parsed_2kds 1
12 1 . . . parsed_2kds 1
13 1 . . . parsed_2kds 1
14 1 . . . parsed_2kds 1
15 1 . . . parsed_2kds 1
16 1 . . . parsed_2kds 1
17 1 2 . OR parsed_2kds 1
17 2 . 3 . parsed_2kds 1
17 3 . . . parsed_2kds 1
18 1 2 . OR parsed_2kds 1
18 2 . 3 . parsed_2kds 1
18 3 . . . parsed_2kds 1
19 1 . . . parsed_2kds 1
20 1 . . . parsed_2kds 1
21 1 . . . parsed_2kds 1
22 1 . . . parsed_2kds 1
23 1 . . . parsed_2kds 1
24 1 . . . parsed_2kds 1
25 1 . . . parsed_2kds 1
26 1 . . . parsed_2kds 1
27 1 . . . parsed_2kds 1
28 1 . . . parsed_2kds 1
29 1 . . . parsed_2kds 1
30 1 . . . parsed_2kds 1
31 1 . . . parsed_2kds 1
32 1 . . . parsed_2kds 1
33 1 2 . OR parsed_2kds 1
33 2 . 3 . parsed_2kds 1
33 3 . 4 . parsed_2kds 1
33 4 . . . parsed_2kds 1
34 1 2 . OR parsed_2kds 1
34 2 . 3 . parsed_2kds 1
34 3 . 4 . parsed_2kds 1
34 4 . . . parsed_2kds 1
35 1 2 . OR parsed_2kds 1
35 2 . 3 . parsed_2kds 1
35 3 . . . parsed_2kds 1
36 1 2 . OR parsed_2kds 1
36 2 . 3 . parsed_2kds 1
36 3 . . . parsed_2kds 1
37 1 2 . OR parsed_2kds 1
37 2 . 3 . parsed_2kds 1
37 3 . . . parsed_2kds 1
38 1 2 . OR parsed_2kds 1
38 2 . 3 . parsed_2kds 1
38 3 . . . parsed_2kds 1
39 1 2 . OR parsed_2kds 1
39 2 . 3 . parsed_2kds 1
39 3 . . . parsed_2kds 1
40 1 2 . OR parsed_2kds 1
40 2 . 3 . parsed_2kds 1
40 3 . . . parsed_2kds 1
41 1 2 . OR parsed_2kds 1
41 2 . 3 . parsed_2kds 1
41 3 . . . parsed_2kds 1
42 1 2 . OR parsed_2kds 1
42 2 . 3 . parsed_2kds 1
42 3 . . . parsed_2kds 1
43 1 2 . OR parsed_2kds 1
43 2 . 3 . parsed_2kds 1
43 3 . . . parsed_2kds 1
44 1 2 . OR parsed_2kds 1
44 2 . 3 . parsed_2kds 1
44 3 . . . parsed_2kds 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 . . . . . . . . . 10 . N parsed_2kds 1
1 1 2 . . . . . . . . . 22 . O parsed_2kds 1
2 1 1 . . . . . . . . . 10 . HN parsed_2kds 1
2 1 2 . . . . . . . . . 22 . O parsed_2kds 1
3 1 1 . . . . . . . . . 11 . N parsed_2kds 1
3 1 2 . . . . . . . . . 55 . O parsed_2kds 1
4 1 1 . . . . . . . . . 11 . HN parsed_2kds 1
4 1 2 . . . . . . . . . 55 . O parsed_2kds 1
5 1 1 . . . . . . . . . 12 . N parsed_2kds 1
5 1 2 . . . . . . . . . 20 . O parsed_2kds 1
6 1 1 . . . . . . . . . 12 . HN parsed_2kds 1
6 1 2 . . . . . . . . . 20 . O parsed_2kds 1
7 1 1 . . . . . . . . . 22 . N parsed_2kds 1
7 1 2 . . . . . . . . . 10 . O parsed_2kds 1
8 1 1 . . . . . . . . . 22 . HN parsed_2kds 1
8 1 2 . . . . . . . . . 10 . O parsed_2kds 1
9 1 1 . . . . . . . . . 23 . N parsed_2kds 1
9 1 2 . . . . . . . . . 36 . O parsed_2kds 1
10 1 1 . . . . . . . . . 23 . HN parsed_2kds 1
10 1 2 . . . . . . . . . 36 . O parsed_2kds 1
11 1 1 . . . . . . . . . 24 . N parsed_2kds 1
11 1 2 . . . . . . . . . 8 . O parsed_2kds 1
12 1 1 . . . . . . . . . 24 . HN parsed_2kds 1
12 1 2 . . . . . . . . . 8 . O parsed_2kds 1
13 1 1 . . . . . . . . . 25 . N parsed_2kds 1
13 1 2 . . . . . . . . . 34 . O parsed_2kds 1
14 1 1 . . . . . . . . . 25 . HN parsed_2kds 1
14 1 2 . . . . . . . . . 34 . O parsed_2kds 1
15 1 1 . . . . . . . . . 33 . N parsed_2kds 1
15 1 2 . . . . . . . . . 49 . O parsed_2kds 1
16 1 1 . . . . . . . . . 33 . HN parsed_2kds 1
16 1 2 . . . . . . . . . 49 . O parsed_2kds 1
17 2 1 . . . . . . . . . 34 . N parsed_2kds 1
17 2 2 . . . . . . . . . 25 . O parsed_2kds 1
17 3 1 . . . . . . . . . 34 . N parsed_2kds 1
17 3 2 . . . . . . . . . 26 . O parsed_2kds 1
18 2 1 . . . . . . . . . 34 . HN parsed_2kds 1
18 2 2 . . . . . . . . . 25 . O parsed_2kds 1
18 3 1 . . . . . . . . . 34 . HN parsed_2kds 1
18 3 2 . . . . . . . . . 26 . O parsed_2kds 1
19 1 1 . . . . . . . . . 35 . N parsed_2kds 1
19 1 2 . . . . . . . . . 47 . O parsed_2kds 1
20 1 1 . . . . . . . . . 35 . HN parsed_2kds 1
20 1 2 . . . . . . . . . 47 . O parsed_2kds 1
21 1 1 . . . . . . . . . 36 . N parsed_2kds 1
21 1 2 . . . . . . . . . 23 . O parsed_2kds 1
22 1 1 . . . . . . . . . 36 . HN parsed_2kds 1
22 1 2 . . . . . . . . . 23 . O parsed_2kds 1
23 1 1 . . . . . . . . . 37 . N parsed_2kds 1
23 1 2 . . . . . . . . . 45 . O parsed_2kds 1
24 1 1 . . . . . . . . . 37 . HN parsed_2kds 1
24 1 2 . . . . . . . . . 45 . O parsed_2kds 1
25 1 1 . . . . . . . . . 47 . N parsed_2kds 1
25 1 2 . . . . . . . . . 35 . O parsed_2kds 1
26 1 1 . . . . . . . . . 47 . HN parsed_2kds 1
26 1 2 . . . . . . . . . 35 . O parsed_2kds 1
27 1 1 . . . . . . . . . 49 . N parsed_2kds 1
27 1 2 . . . . . . . . . 33 . O parsed_2kds 1
28 1 1 . . . . . . . . . 49 . HN parsed_2kds 1
28 1 2 . . . . . . . . . 33 . O parsed_2kds 1
29 1 1 . . . . . . . . . 51 . N parsed_2kds 1
29 1 2 . . . . . . . . . 31 . O parsed_2kds 1
30 1 1 . . . . . . . . . 51 . HN parsed_2kds 1
30 1 2 . . . . . . . . . 31 . O parsed_2kds 1
31 1 1 . . . . . . . . . 57 . N parsed_2kds 1
31 1 2 . . . . . . . . . 9 . O parsed_2kds 1
32 1 1 . . . . . . . . . 57 . HN parsed_2kds 1
32 1 2 . . . . . . . . . 9 . O parsed_2kds 1
33 2 1 . . . . . . . . . 72 . N parsed_2kds 1
33 2 2 . . . . . . . . . 71 . OE1 parsed_2kds 1
33 3 1 . . . . . . . . . 72 . N parsed_2kds 1
33 3 2 . . . . . . . . . 71 . OE2 parsed_2kds 1
33 4 1 . . . . . . . . . 72 . N parsed_2kds 1
33 4 2 . . . . . . . . . 68 . O parsed_2kds 1
34 2 1 . . . . . . . . . 72 . HN parsed_2kds 1
34 2 2 . . . . . . . . . 71 . OE1 parsed_2kds 1
34 3 1 . . . . . . . . . 72 . HN parsed_2kds 1
34 3 2 . . . . . . . . . 71 . OE2 parsed_2kds 1
34 4 1 . . . . . . . . . 72 . HN parsed_2kds 1
34 4 2 . . . . . . . . . 68 . O parsed_2kds 1
35 2 1 . . . . . . . . . 73 . N parsed_2kds 1
35 2 2 . . . . . . . . . 69 . O parsed_2kds 1
35 3 1 . . . . . . . . . 73 . N parsed_2kds 1
35 3 2 . . . . . . . . . 70 . O parsed_2kds 1
36 2 1 . . . . . . . . . 73 . HN parsed_2kds 1
36 2 2 . . . . . . . . . 69 . O parsed_2kds 1
36 3 1 . . . . . . . . . 73 . HN parsed_2kds 1
36 3 2 . . . . . . . . . 70 . O parsed_2kds 1
37 2 1 . . . . . . . . . 74 . N parsed_2kds 1
37 2 2 . . . . . . . . . 71 . O parsed_2kds 1
37 3 1 . . . . . . . . . 74 . N parsed_2kds 1
37 3 2 . . . . . . . . . 70 . O parsed_2kds 1
38 2 1 . . . . . . . . . 74 . HN parsed_2kds 1
38 2 2 . . . . . . . . . 71 . O parsed_2kds 1
38 3 1 . . . . . . . . . 74 . HN parsed_2kds 1
38 3 2 . . . . . . . . . 70 . O parsed_2kds 1
39 2 1 . . . . . . . . . 75 . N parsed_2kds 1
39 2 2 . . . . . . . . . 72 . O parsed_2kds 1
39 3 1 . . . . . . . . . 75 . N parsed_2kds 1
39 3 2 . . . . . . . . . 71 . O parsed_2kds 1
40 2 1 . . . . . . . . . 75 . HN parsed_2kds 1
40 2 2 . . . . . . . . . 72 . O parsed_2kds 1
40 3 1 . . . . . . . . . 75 . HN parsed_2kds 1
40 3 2 . . . . . . . . . 71 . O parsed_2kds 1
41 2 1 . . . . . . . . . 76 . N parsed_2kds 1
41 2 2 . . . . . . . . . 72 . O parsed_2kds 1
41 3 1 . . . . . . . . . 76 . N parsed_2kds 1
41 3 2 . . . . . . . . . 73 . O parsed_2kds 1
42 2 1 . . . . . . . . . 76 . HN parsed_2kds 1
42 2 2 . . . . . . . . . 72 . O parsed_2kds 1
42 3 1 . . . . . . . . . 76 . HN parsed_2kds 1
42 3 2 . . . . . . . . . 73 . O parsed_2kds 1
43 2 1 . . . . . . . . . 77 . N parsed_2kds 1
43 2 2 . . . . . . . . . 73 . O parsed_2kds 1
43 3 1 . . . . . . . . . 77 . N parsed_2kds 1
43 3 2 . . . . . . . . . 74 . O parsed_2kds 1
44 2 1 . . . . . . . . . 77 . HN parsed_2kds 1
44 2 2 . . . . . . . . . 73 . O parsed_2kds 1
44 3 1 . . . . . . . . . 77 . HN parsed_2kds 1
44 3 2 . . . . . . . . . 74 . O parsed_2kds 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 . . . . . 3.2 2.2 3.2 parsed_2kds 1
2 1 . . . . . 2.2 1.2 2.2 parsed_2kds 1
3 1 . . . . . 3.2 2.2 3.2 parsed_2kds 1
4 1 . . . . . 2.2 1.2 2.2 parsed_2kds 1
5 1 . . . . . 3.2 2.2 3.2 parsed_2kds 1
6 1 . . . . . 2.2 1.2 2.2 parsed_2kds 1
7 1 . . . . . 3.2 2.2 3.2 parsed_2kds 1
8 1 . . . . . 2.2 1.2 2.2 parsed_2kds 1
9 1 . . . . . 3.2 2.2 3.2 parsed_2kds 1
10 1 . . . . . 2.2 1.2 2.2 parsed_2kds 1
11 1 . . . . . 3.2 2.2 3.2 parsed_2kds 1
12 1 . . . . . 2.2 1.2 2.2 parsed_2kds 1
13 1 . . . . . 3.2 2.2 3.2 parsed_2kds 1
14 1 . . . . . 2.2 1.2 2.2 parsed_2kds 1
15 1 . . . . . 3.2 2.2 3.2 parsed_2kds 1
16 1 . . . . . 2.2 1.2 2.2 parsed_2kds 1
17 2 . . . . . 3.2 2.2 3.2 parsed_2kds 1
17 3 . . . . . 3.2 2.2 3.2 parsed_2kds 1
18 2 . . . . . 2.2 1.2 2.2 parsed_2kds 1
18 3 . . . . . 2.2 1.2 2.2 parsed_2kds 1
19 1 . . . . . 3.2 2.2 3.2 parsed_2kds 1
20 1 . . . . . 2.2 1.2 2.2 parsed_2kds 1
21 1 . . . . . 3.2 2.2 3.2 parsed_2kds 1
22 1 . . . . . 2.2 1.2 2.2 parsed_2kds 1
23 1 . . . . . 3.2 2.2 3.2 parsed_2kds 1
24 1 . . . . . 2.2 1.2 2.2 parsed_2kds 1
25 1 . . . . . 3.2 2.2 3.2 parsed_2kds 1
26 1 . . . . . 2.2 1.2 2.2 parsed_2kds 1
27 1 . . . . . 3.2 2.2 3.2 parsed_2kds 1
28 1 . . . . . 2.2 1.2 2.2 parsed_2kds 1
29 1 . . . . . 3.2 2.2 3.2 parsed_2kds 1
30 1 . . . . . 2.2 1.2 2.2 parsed_2kds 1
31 1 . . . . . 3.2 2.2 3.2 parsed_2kds 1
32 1 . . . . . 2.2 1.2 2.2 parsed_2kds 1
33 2 . . . . . 3.2 2.2 3.2 parsed_2kds 1
33 3 . . . . . 3.2 2.2 3.2 parsed_2kds 1
33 4 . . . . . 3.2 2.2 3.2 parsed_2kds 1
34 2 . . . . . 2.2 1.2 2.2 parsed_2kds 1
34 3 . . . . . 2.2 1.2 2.2 parsed_2kds 1
34 4 . . . . . 2.2 1.2 2.2 parsed_2kds 1
35 2 . . . . . 3.2 2.2 3.2 parsed_2kds 1
35 3 . . . . . 3.2 2.2 3.2 parsed_2kds 1
36 2 . . . . . 2.2 1.2 2.2 parsed_2kds 1
36 3 . . . . . 2.2 1.2 2.2 parsed_2kds 1
37 2 . . . . . 3.2 2.2 3.2 parsed_2kds 1
37 3 . . . . . 3.2 2.2 3.2 parsed_2kds 1
38 2 . . . . . 2.2 1.2 2.2 parsed_2kds 1
38 3 . . . . . 2.2 1.2 2.2 parsed_2kds 1
39 2 . . . . . 3.2 2.2 3.2 parsed_2kds 1
39 3 . . . . . 3.2 2.2 3.2 parsed_2kds 1
40 2 . . . . . 2.2 1.2 2.2 parsed_2kds 1
40 3 . . . . . 2.2 1.2 2.2 parsed_2kds 1
41 2 . . . . . 3.2 2.2 3.2 parsed_2kds 1
41 3 . . . . . 3.2 2.2 3.2 parsed_2kds 1
42 2 . . . . . 2.2 1.2 2.2 parsed_2kds 1
42 3 . . . . . 2.2 1.2 2.2 parsed_2kds 1
43 2 . . . . . 3.2 2.2 3.2 parsed_2kds 1
43 3 . . . . . 3.2 2.2 3.2 parsed_2kds 1
44 2 . . . . . 2.2 1.2 2.2 parsed_2kds 1
44 3 . . . . . 2.2 1.2 2.2 parsed_2kds 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
;
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!! Hydrogen Bond Restraints
!! derived from HX
assign (resid 7 and name N) (resid 4 and name O) 3.2 1.0 0.0
assign (resid 7 and name HN) (resid 4 and name O) 2.2 1.0 0.0
HX derived hbond restraint
assign (resid 8 and name N) (resid 24 and name O) 3.2 1.0 0.0
assign (resid 8 and name HN) (resid 24 and name O) 2.2 1.0 0.0
HX derived hbond restraint
;
1 1 10 29 parsed_2kds 1
2 "HX derived hbond restraint" 13 1 13 29 parsed_2kds 1
3 "HX derived hbond restraint" 16 1 16 29 parsed_2kds 1
4 "HX derived hbond restraint" 19 1 19 29 parsed_2kds 1
5 "HX derived hbond restraint" 22 1 22 29 parsed_2kds 1
6 "HX derived hbond restraint" 25 1 25 29 parsed_2kds 1
7 "HX derived hbond restraint" 28 1 28 29 parsed_2kds 1
8
;
HX derived hbond restraint
assign (resid 32 and name N) (resid 29 and name O) 3.2 1.0 0.0
assign (resid 32 and name HN) (resid 29 and name O) 2.2 1.0 0.0
HX derived hbond restraint
;
31 1 34 29 parsed_2kds 1
9 "HX derived hbond restraint" 37 1 37 29 parsed_2kds 1
10 "HX derived hbond restraint" 42 1 42 29 parsed_2kds 1
11 "HX derived hbond restraint" 45 1 45 29 parsed_2kds 1
12 "HX derived hbond restraint" 48 1 48 29 parsed_2kds 1
13 "HX derived hbond restraint" 51 1 51 29 parsed_2kds 1
14 "HX derived hbond restraint" 54 1 54 29 parsed_2kds 1
15 "HX derived hbond restraint" 57 1 57 29 parsed_2kds 1
16
;
HX derived hbond restraint
assign (resid 54 and name N) (resid 55 and name OE1) 3.2 1.0 0.0
or (resid 54 and name N) (resid 55 and name OE2)
assign (resid 54 and name HN) (resid 55 and name OE1) 2.2 1.0 0.0
or (resid 54 and name HN) (resid 55 and name OE2)
HX derived hbond restraint
;
60 1 65 29 parsed_2kds 1
17
;
HX derived hbond restraint
assign (resid 59 and name N) (resid 58 and name OD1) 3.2 1.0 0.0
or (resid 59 and name N) (resid 58 and name OD2)
assign (resid 59 and name HN) (resid 58 and name OD1) 2.2 1.0 0.0
or (resid 59 and name HN) (resid 58 and name OD2)
HX derived hbond restraint
assign (resid 61 and name N) (resid 24 and name O) 3.2 1.0 0.0
assign (resid 61 and name HN) (resid 24 and name O) 2.2 1.0 0.0
HX derived hbond restraint
;
68 1 76 29 parsed_2kds 1
18 "HX derived hbond restraint" 83 1 83 29 parsed_2kds 1
19 "HX derived hbond restraint" 88 1 88 29 parsed_2kds 1
20 "HX derived hbond restraint" 93 1 93 29 parsed_2kds 1
21 "HX derived hbond restraint" 98 1 98 29 parsed_2kds 1
22 "HX derived hbond restraint" 103 1 103 29 parsed_2kds 1
stop_
save_
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