NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
636812 |
6nox   |
30562 | cing | 2-parsed | STAR | entry | full | 91 |
data_6nox_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6nox
_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_6nox 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6nox
_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 6nox "Master copy" parsed_6nox
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6nox
_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 6nox.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6nox 1
1 6nox.mr . . XPLOR/CNS 2 distance NOE simple 72 parsed_6nox 1
1 6nox.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 19 parsed_6nox 1
1 6nox.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6nox 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_6nox
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER BIOSYNTHETIC PROTEIN 16-JAN-19 6NOX
*TITLE SOLUTION STRUCTURE OF SFTI-KLK5 INHIBITOR
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: SFTI-KLK5 PEPTIDE;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS;
*SOURCE 4 ORGANISM_TAXID: 4232
*KEYWDS PROTEASE INHIBITOR, BIOSYNTHETIC PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR A.M.WHITE
*REVDAT 1 03-APR-19 6NOX 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6nox
_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_6nox 1
2 1 . . . parsed_6nox 1
3 1 . . . parsed_6nox 1
4 1 . . . parsed_6nox 1
5 1 . . . parsed_6nox 1
6 1 . . . parsed_6nox 1
7 1 . . . parsed_6nox 1
8 1 . . . parsed_6nox 1
9 1 . . . parsed_6nox 1
10 1 . . . parsed_6nox 1
11 1 . . . parsed_6nox 1
12 1 . . . parsed_6nox 1
13 1 . . . parsed_6nox 1
14 1 . . . parsed_6nox 1
15 1 . . . parsed_6nox 1
16 1 . . . parsed_6nox 1
17 1 . . . parsed_6nox 1
18 1 . . . parsed_6nox 1
19 1 . . . parsed_6nox 1
20 1 . . . parsed_6nox 1
21 1 . . . parsed_6nox 1
22 1 . . . parsed_6nox 1
23 1 . . . parsed_6nox 1
24 1 . . . parsed_6nox 1
25 1 . . . parsed_6nox 1
26 1 . . . parsed_6nox 1
27 1 . . . parsed_6nox 1
28 1 . . . parsed_6nox 1
29 1 . . . parsed_6nox 1
30 1 . . . parsed_6nox 1
31 1 . . . parsed_6nox 1
32 1 . . . parsed_6nox 1
33 1 . . . parsed_6nox 1
34 1 . . . parsed_6nox 1
35 1 . . . parsed_6nox 1
36 1 . . . parsed_6nox 1
37 1 . . . parsed_6nox 1
38 1 . . . parsed_6nox 1
39 1 . . . parsed_6nox 1
40 1 . . . parsed_6nox 1
41 1 . . . parsed_6nox 1
42 1 . . . parsed_6nox 1
43 1 . . . parsed_6nox 1
44 1 . . . parsed_6nox 1
45 1 . . . parsed_6nox 1
46 1 . . . parsed_6nox 1
47 1 . . . parsed_6nox 1
48 1 . . . parsed_6nox 1
49 1 . . . parsed_6nox 1
50 1 . . . parsed_6nox 1
51 1 . . . parsed_6nox 1
52 1 . . . parsed_6nox 1
53 1 . . . parsed_6nox 1
54 1 . . . parsed_6nox 1
55 1 . . . parsed_6nox 1
56 1 . . . parsed_6nox 1
57 1 . . . parsed_6nox 1
58 1 . . . parsed_6nox 1
59 1 . . . parsed_6nox 1
60 1 . . . parsed_6nox 1
61 1 . . . parsed_6nox 1
62 1 . . . parsed_6nox 1
63 1 . . . parsed_6nox 1
64 1 . . . parsed_6nox 1
65 1 . . . parsed_6nox 1
66 1 . . . parsed_6nox 1
67 1 . . . parsed_6nox 1
68 1 . . . parsed_6nox 1
69 1 . . . parsed_6nox 1
70 1 . . . parsed_6nox 1
71 1 . . . parsed_6nox 1
72 1 . . . parsed_6nox 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 . . . . . . . . . 2 . HN parsed_6nox 1
1 1 2 . . . . . . . . . 2 . HB2 parsed_6nox 1
2 1 1 . . . . . . . . . 2 . . parsed_6nox 1
2 1 2 . . . . . . . . . 2 . HB1 parsed_6nox 1
3 1 1 . . . . . . . . . 2 . HA parsed_6nox 1
3 1 2 . . . . . . . . . 3 . . parsed_6nox 1
4 1 1 . . . . . . . . . 3 . HA parsed_6nox 1
4 1 2 . . . . . . . . . 4 . . parsed_6nox 1
5 1 1 . . . . . . . . . 4 . HN parsed_6nox 1
5 1 2 . . . . . . . . . 4 . HB2 parsed_6nox 1
6 1 1 . . . . . . . . . 4 . HN parsed_6nox 1
6 1 2 . . . . . . . . . 4 . HB1 parsed_6nox 1
7 1 1 . . . . . . . . . 4 . HA parsed_6nox 1
7 1 2 . . . . . . . . . 5 . HN parsed_6nox 1
8 1 1 . . . . . . . . . 6 . HA parsed_6nox 1
8 1 2 . . . . . . . . . 7 . HN parsed_6nox 1
9 1 1 . . . . . . . . . 7 . HN parsed_6nox 1
9 1 2 . . . . . . . . . 7 . HB1 parsed_6nox 1
10 1 1 . . . . . . . . . 7 . HN parsed_6nox 1
10 1 2 . . . . . . . . . 7 . HB2 parsed_6nox 1
11 1 1 . . . . . . . . . 7 . HA parsed_6nox 1
11 1 2 . . . . . . . . . 8 . HA parsed_6nox 1
12 1 1 . . . . . . . . . 8 . HA parsed_6nox 1
12 1 2 . . . . . . . . . 9 . HD2 parsed_6nox 1
13 1 1 . . . . . . . . . 8 . HA parsed_6nox 1
13 1 2 . . . . . . . . . 9 . HD1 parsed_6nox 1
14 1 1 . . . . . . . . . 9 . HA parsed_6nox 1
14 1 2 . . . . . . . . . 10 . HN parsed_6nox 1
15 1 1 . . . . . . . . . 10 . HA parsed_6nox 1
15 1 2 . . . . . . . . . 11 . HN parsed_6nox 1
16 1 1 . . . . . . . . . 11 . HN parsed_6nox 1
16 1 2 . . . . . . . . . 11 . HB2 parsed_6nox 1
17 1 1 . . . . . . . . . 11 . HN parsed_6nox 1
17 1 2 . . . . . . . . . 11 . HB1 parsed_6nox 1
18 1 1 . . . . . . . . . 11 . HA parsed_6nox 1
18 1 2 . . . . . . . . . 12 . HN parsed_6nox 1
19 1 1 . . . . . . . . . 14 . HN parsed_6nox 1
19 1 2 . . . . . . . . . 14 . HB2 parsed_6nox 1
20 1 1 . . . . . . . . . 14 . HN parsed_6nox 1
20 1 2 . . . . . . . . . 14 . HB1 parsed_6nox 1
21 1 1 . . . . . . . . . 11 . HB2 parsed_6nox 1
21 1 2 . . . . . . . . . 12 . HN parsed_6nox 1
22 1 1 . . . . . . . . . 11 . HB1 parsed_6nox 1
22 1 2 . . . . . . . . . 12 . HN parsed_6nox 1
23 1 1 . . . . . . . . . 3 . HB1 parsed_6nox 1
23 1 2 . . . . . . . . . 4 . HN parsed_6nox 1
24 1 1 . . . . . . . . . 7 . HD# parsed_6nox 1
24 1 2 . . . . . . . . . 8 . HA parsed_6nox 1
25 1 1 . . . . . . . . . 7 . HA parsed_6nox 1
25 1 2 . . . . . . . . . 7 . HD# parsed_6nox 1
26 1 1 . . . . . . . . . 7 . HE# parsed_6nox 1
26 1 2 . . . . . . . . . 8 . HA parsed_6nox 1
27 1 1 . . . . . . . . . 1 . HN parsed_6nox 1
27 1 2 . . . . . . . . . 2 . HN parsed_6nox 1
28 1 1 . . . . . . . . . 4 . HN parsed_6nox 1
28 1 2 . . . . . . . . . 10 . HN parsed_6nox 1
29 1 1 . . . . . . . . . 5 . HN parsed_6nox 1
29 1 2 . . . . . . . . . 6 . HN parsed_6nox 1
30 1 1 . . . . . . . . . 6 . HN parsed_6nox 1
30 1 2 . . . . . . . . . 7 . HN parsed_6nox 1
31 1 1 . . . . . . . . . 12 . HN parsed_6nox 1
31 1 2 . . . . . . . . . 12 . HE3 parsed_6nox 1
32 1 1 . . . . . . . . . 11 . HA parsed_6nox 1
32 1 2 . . . . . . . . . 12 . HE3 parsed_6nox 1
33 1 1 . . . . . . . . . 12 . HN parsed_6nox 1
33 1 2 . . . . . . . . . 14 . HN parsed_6nox 1
34 1 1 . . . . . . . . . 7 . HN parsed_6nox 1
34 1 2 . . . . . . . . . 7 . HD# parsed_6nox 1
35 1 1 . . . . . . . . . 4 . HN parsed_6nox 1
35 1 2 . . . . . . . . . 12 . HZ3 parsed_6nox 1
36 1 1 . . . . . . . . . 2 . HA parsed_6nox 1
36 1 2 . . . . . . . . . 2 . HD# parsed_6nox 1
37 1 1 . . . . . . . . . 10 . HN parsed_6nox 1
37 1 2 . . . . . . . . . 11 . HN parsed_6nox 1
38 1 1 . . . . . . . . . 12 . HA parsed_6nox 1
38 1 2 . . . . . . . . . 12 . HD1 parsed_6nox 1
39 1 1 . . . . . . . . . 10 . HB2 parsed_6nox 1
39 1 2 . . . . . . . . . 11 . HN parsed_6nox 1
40 1 1 . . . . . . . . . 10 . HB1 parsed_6nox 1
40 1 2 . . . . . . . . . 11 . HN parsed_6nox 1
41 1 1 . . . . . . . . . 3 . HB2 parsed_6nox 1
41 1 2 . . . . . . . . . 4 . HN parsed_6nox 1
42 1 1 . . . . . . . . . 7 . HA parsed_6nox 1
42 1 2 . . . . . . . . . 9 . HD2 parsed_6nox 1
43 1 1 . . . . . . . . . 7 . HA parsed_6nox 1
43 1 2 . . . . . . . . . 9 . HD1 parsed_6nox 1
44 1 1 . . . . . . . . . 2 . HN parsed_6nox 1
44 1 2 . . . . . . . . . 2 . HB# parsed_6nox 1
45 1 1 . . . . . . . . . 2 . HD# parsed_6nox 1
45 1 2 . . . . . . . . . 4 . HB# parsed_6nox 1
46 1 1 . . . . . . . . . 3 . HN parsed_6nox 1
46 1 2 . . . . . . . . . 3 . HB# parsed_6nox 1
47 1 1 . . . . . . . . . 3 . HB# parsed_6nox 1
47 1 2 . . . . . . . . . 4 . HN parsed_6nox 1
48 1 1 . . . . . . . . . 3 . HB# parsed_6nox 1
48 1 2 . . . . . . . . . 11 . HA parsed_6nox 1
49 1 1 . . . . . . . . . 4 . HN parsed_6nox 1
49 1 2 . . . . . . . . . 4 . HB# parsed_6nox 1
50 1 1 . . . . . . . . . 4 . HB# parsed_6nox 1
50 1 2 . . . . . . . . . 12 . HZ3 parsed_6nox 1
51 1 1 . . . . . . . . . 4 . HB# parsed_6nox 1
51 1 2 . . . . . . . . . 12 . HH2 parsed_6nox 1
52 1 1 . . . . . . . . . 5 . HN parsed_6nox 1
52 1 2 . . . . . . . . . 5 . HB# parsed_6nox 1
53 1 1 . . . . . . . . . 5 . HB# parsed_6nox 1
53 1 2 . . . . . . . . . 5 . HE parsed_6nox 1
54 1 1 . . . . . . . . . 6 . HB# parsed_6nox 1
54 1 2 . . . . . . . . . 7 . HN parsed_6nox 1
55 1 1 . . . . . . . . . 7 . HA parsed_6nox 1
55 1 2 . . . . . . . . . 9 . HD# parsed_6nox 1
56 1 1 . . . . . . . . . 7 . HD# parsed_6nox 1
56 1 2 . . . . . . . . . 8 . HD# parsed_6nox 1
57 1 1 . . . . . . . . . 7 . HD# parsed_6nox 1
57 1 2 . . . . . . . . . 9 . HD# parsed_6nox 1
58 1 1 . . . . . . . . . 7 . HE# parsed_6nox 1
58 1 2 . . . . . . . . . 9 . HD# parsed_6nox 1
59 1 1 . . . . . . . . . 8 . HA parsed_6nox 1
59 1 2 . . . . . . . . . 9 . HD# parsed_6nox 1
60 1 1 . . . . . . . . . 8 . HB# parsed_6nox 1
60 1 2 . . . . . . . . . 9 . HD# parsed_6nox 1
61 1 1 . . . . . . . . . 8 . HB# parsed_6nox 1
61 1 2 . . . . . . . . . 10 . HN parsed_6nox 1
62 1 1 . . . . . . . . . 10 . HA parsed_6nox 1
62 1 2 . . . . . . . . . 10 . HG# parsed_6nox 1
63 1 1 . . . . . . . . . 11 . HN parsed_6nox 1
63 1 2 . . . . . . . . . 11 . HB# parsed_6nox 1
64 1 1 . . . . . . . . . 11 . HB# parsed_6nox 1
64 1 2 . . . . . . . . . 12 . HN parsed_6nox 1
65 1 1 . . . . . . . . . 12 . HN parsed_6nox 1
65 1 2 . . . . . . . . . 12 . HB# parsed_6nox 1
66 1 1 . . . . . . . . . 12 . HB# parsed_6nox 1
66 1 2 . . . . . . . . . 12 . HE3 parsed_6nox 1
67 1 1 . . . . . . . . . 12 . HB# parsed_6nox 1
67 1 2 . . . . . . . . . 13 . HD# parsed_6nox 1
68 1 1 . . . . . . . . . 12 . HB# parsed_6nox 1
68 1 2 . . . . . . . . . 14 . HN parsed_6nox 1
69 1 1 . . . . . . . . . 12 . HD1 parsed_6nox 1
69 1 2 . . . . . . . . . 13 . HD# parsed_6nox 1
70 1 1 . . . . . . . . . 13 . HB# parsed_6nox 1
70 1 2 . . . . . . . . . 14 . HN parsed_6nox 1
71 1 1 . . . . . . . . . 13 . HD# parsed_6nox 1
71 1 2 . . . . . . . . . 14 . HN parsed_6nox 1
72 1 1 . . . . . . . . . 14 . HN parsed_6nox 1
72 1 2 . . . . . . . . . 14 . HB# parsed_6nox 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 . . . . . 2.890 1.800 3.980 parsed_6nox 1
2 1 . . . . . 2.890 1.800 3.980 parsed_6nox 1
3 1 . . . . . 2.425 1.800 3.050 parsed_6nox 1
4 1 . . . . . 2.425 1.800 3.050 parsed_6nox 1
5 1 . . . . . 2.985 1.800 4.170 parsed_6nox 1
6 1 . . . . . 2.985 1.800 4.170 parsed_6nox 1
7 1 . . . . . 2.620 1.800 3.440 parsed_6nox 1
8 1 . . . . . 2.625 1.800 3.450 parsed_6nox 1
9 1 . . . . . 2.780 1.800 3.760 parsed_6nox 1
10 1 . . . . . 2.780 1.800 3.760 parsed_6nox 1
11 1 . . . . . 2.525 1.800 3.250 parsed_6nox 1
12 1 . . . . . 2.610 1.800 3.420 parsed_6nox 1
13 1 . . . . . 2.610 1.800 3.420 parsed_6nox 1
14 1 . . . . . 2.440 1.800 3.080 parsed_6nox 1
15 1 . . . . . 2.415 1.800 3.030 parsed_6nox 1
16 1 . . . . . 2.970 1.800 4.140 parsed_6nox 1
17 1 . . . . . 2.970 1.800 4.140 parsed_6nox 1
18 1 . . . . . 2.425 1.800 3.050 parsed_6nox 1
19 1 . . . . . 2.990 1.800 4.180 parsed_6nox 1
20 1 . . . . . 2.990 1.800 4.180 parsed_6nox 1
21 1 . . . . . 3.395 1.800 4.990 parsed_6nox 1
22 1 . . . . . 3.395 1.800 4.990 parsed_6nox 1
23 1 . . . . . 3.260 1.800 4.720 parsed_6nox 1
24 1 . . . . . 2.950 1.800 4.100 parsed_6nox 1
25 1 . . . . . 2.805 1.800 3.810 parsed_6nox 1
26 1 . . . . . 3.375 1.800 4.950 parsed_6nox 1
27 1 . . . . . 2.715 1.800 3.630 parsed_6nox 1
28 1 . . . . . 3.375 1.800 4.950 parsed_6nox 1
29 1 . . . . . 2.990 1.800 4.180 parsed_6nox 1
30 1 . . . . . 3.280 1.800 4.760 parsed_6nox 1
31 1 . . . . . 3.030 1.800 4.260 parsed_6nox 1
32 1 . . . . . 3.060 1.800 4.320 parsed_6nox 1
33 1 . . . . . 3.290 1.800 4.780 parsed_6nox 1
34 1 . . . . . 3.335 1.800 4.870 parsed_6nox 1
35 1 . . . . . 3.650 1.800 5.500 parsed_6nox 1
36 1 . . . . . 3.055 1.800 4.310 parsed_6nox 1
37 1 . . . . . 3.365 1.800 4.930 parsed_6nox 1
38 1 . . . . . 3.185 1.800 4.570 parsed_6nox 1
39 1 . . . . . 3.550 1.800 5.300 parsed_6nox 1
40 1 . . . . . 3.550 1.800 5.300 parsed_6nox 1
41 1 . . . . . 3.260 1.800 4.720 parsed_6nox 1
42 1 . . . . . 2.925 1.800 4.050 parsed_6nox 1
43 1 . . . . . 2.925 1.800 4.050 parsed_6nox 1
44 1 . . . . . 2.625 1.800 3.450 parsed_6nox 1
45 1 . . . . . 3.570 1.800 5.340 parsed_6nox 1
46 1 . . . . . 2.625 1.800 3.450 parsed_6nox 1
47 1 . . . . . 2.825 1.800 3.850 parsed_6nox 1
48 1 . . . . . 2.955 1.800 4.110 parsed_6nox 1
49 1 . . . . . 2.625 1.800 3.450 parsed_6nox 1
50 1 . . . . . 3.410 1.800 5.020 parsed_6nox 1
51 1 . . . . . 3.570 1.800 5.340 parsed_6nox 1
52 1 . . . . . 2.700 1.800 3.600 parsed_6nox 1
53 1 . . . . . 3.330 1.800 4.860 parsed_6nox 1
54 1 . . . . . 2.700 1.800 3.600 parsed_6nox 1
55 1 . . . . . 2.670 1.800 3.540 parsed_6nox 1
56 1 . . . . . 3.295 1.800 4.790 parsed_6nox 1
57 1 . . . . . 2.835 1.800 3.870 parsed_6nox 1
58 1 . . . . . 3.520 1.800 5.240 parsed_6nox 1
59 1 . . . . . 2.395 1.800 2.990 parsed_6nox 1
60 1 . . . . . 2.620 1.800 3.440 parsed_6nox 1
61 1 . . . . . 3.570 1.800 5.340 parsed_6nox 1
62 1 . . . . . 2.760 1.800 3.720 parsed_6nox 1
63 1 . . . . . 2.665 1.800 3.530 parsed_6nox 1
64 1 . . . . . 3.070 1.800 4.340 parsed_6nox 1
65 1 . . . . . 2.505 1.800 3.210 parsed_6nox 1
66 1 . . . . . 2.740 1.800 3.680 parsed_6nox 1
67 1 . . . . . 2.500 1.800 3.200 parsed_6nox 1
68 1 . . . . . 2.705 1.800 3.610 parsed_6nox 1
69 1 . . . . . 3.115 1.800 4.430 parsed_6nox 1
70 1 . . . . . 2.945 1.800 4.090 parsed_6nox 1
71 1 . . . . . 3.075 1.800 4.350 parsed_6nox 1
72 1 . . . . . 2.670 1.800 3.540 parsed_6nox 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 "distance restraints" 2 1 2 21 parsed_6nox 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 1: restraints.tbl" 1 1 1 35 parsed_6nox 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6nox
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.2 -97.2 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6nox 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.9 163.5 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6nox 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.2 -67.8 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6nox 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.4 153.6 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6nox 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.1 -56.7 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6nox 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.6 213.4 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6nox 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.0 -80.8 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6nox 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47.9 137.9 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6nox 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.6 170.6 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6nox 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.9 203.9 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6nox 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.9 -58.9 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6nox 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.8 159.8 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6nox 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.3 -93.9 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6nox 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 162.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6nox 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.7 -45.3 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6nox 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.5 182.3 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6nox 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . SG parsed_6nox 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 6 . N . 6 . CA . 6 . CB . 6 . OG parsed_6nox 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 7 . N . 7 . CA . 7 . CB . 7 . CG parsed_6nox 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "dihedral restraints" 1 1 1 21 parsed_6nox 1
stop_
save_
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