NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
608573 |
5kx1   |
30145 | cing | 2-parsed | STAR | entry | full | 179 |
data_5kx1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5kx1
_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_5kx1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5kx1
_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 5kx1 "Master copy" parsed_5kx1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5kx1
_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 5kx1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5kx1 1
1 5kx1.mr . . XPLOR/CNS 2 distance NOE simple 131 parsed_5kx1 1
1 5kx1.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 42 parsed_5kx1 1
1 5kx1.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 6 parsed_5kx1 1
1 5kx1.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5kx1 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_5kx1
_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 DE NOVO PROTEIN 19-JUL-16 5KX1
*TITLE NMR SOLUTION STRUCTURE OF DESIGNED PEPTIDE NC_CHHH_D1
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: DESIGNED PEPTIDE NC_CHHH_D1;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;
*SOURCE 4 ORGANISM_TAXID: 32630
*KEYWDS DESIGNED PEPTIDE, DE NOVO PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR P.J.HARVEY,D.J.CRAIK
*REVDAT 1 21-SEP-16 5KX1 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5kx1
_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_5kx1 1
2 1 . . . parsed_5kx1 1
3 1 . . . parsed_5kx1 1
4 1 . . . parsed_5kx1 1
5 1 . . . parsed_5kx1 1
6 1 . . . parsed_5kx1 1
7 1 . . . parsed_5kx1 1
8 1 . . . parsed_5kx1 1
9 1 . . . parsed_5kx1 1
10 1 . . . parsed_5kx1 1
11 1 . . . parsed_5kx1 1
12 1 . . . parsed_5kx1 1
13 1 . . . parsed_5kx1 1
14 1 . . . parsed_5kx1 1
15 1 . . . parsed_5kx1 1
16 1 . . . parsed_5kx1 1
17 1 . . . parsed_5kx1 1
18 1 . . . parsed_5kx1 1
19 1 . . . parsed_5kx1 1
20 1 . . . parsed_5kx1 1
21 1 . . . parsed_5kx1 1
22 1 . . . parsed_5kx1 1
23 1 . . . parsed_5kx1 1
24 1 . . . parsed_5kx1 1
25 1 . . . parsed_5kx1 1
26 1 . . . parsed_5kx1 1
27 1 . . . parsed_5kx1 1
28 1 . . . parsed_5kx1 1
29 1 . . . parsed_5kx1 1
30 1 . . . parsed_5kx1 1
31 1 . . . parsed_5kx1 1
32 1 . . . parsed_5kx1 1
33 1 . . . parsed_5kx1 1
34 1 . . . parsed_5kx1 1
35 1 . . . parsed_5kx1 1
36 1 . . . parsed_5kx1 1
37 1 . . . parsed_5kx1 1
38 1 . . . parsed_5kx1 1
39 1 . . . parsed_5kx1 1
40 1 . . . parsed_5kx1 1
41 1 . . . parsed_5kx1 1
42 1 . . . parsed_5kx1 1
43 1 . . . parsed_5kx1 1
44 1 . . . parsed_5kx1 1
45 1 . . . parsed_5kx1 1
46 1 . . . parsed_5kx1 1
47 1 . . . parsed_5kx1 1
48 1 . . . parsed_5kx1 1
49 1 . . . parsed_5kx1 1
50 1 . . . parsed_5kx1 1
51 1 . . . parsed_5kx1 1
52 1 . . . parsed_5kx1 1
53 1 . . . parsed_5kx1 1
54 1 . . . parsed_5kx1 1
55 1 . . . parsed_5kx1 1
56 1 . . . parsed_5kx1 1
57 1 . . . parsed_5kx1 1
58 1 . . . parsed_5kx1 1
59 1 . . . parsed_5kx1 1
60 1 . . . parsed_5kx1 1
61 1 . . . parsed_5kx1 1
62 1 . . . parsed_5kx1 1
63 1 . . . parsed_5kx1 1
64 1 . . . parsed_5kx1 1
65 1 . . . parsed_5kx1 1
66 1 . . . parsed_5kx1 1
67 1 . . . parsed_5kx1 1
68 1 . . . parsed_5kx1 1
69 1 . . . parsed_5kx1 1
70 1 . . . parsed_5kx1 1
71 1 . . . parsed_5kx1 1
72 1 . . . parsed_5kx1 1
73 1 . . . parsed_5kx1 1
74 1 . . . parsed_5kx1 1
75 1 . . . parsed_5kx1 1
76 1 . . . parsed_5kx1 1
77 1 . . . parsed_5kx1 1
78 1 . . . parsed_5kx1 1
79 1 . . . parsed_5kx1 1
80 1 . . . parsed_5kx1 1
81 1 . . . parsed_5kx1 1
82 1 . . . parsed_5kx1 1
83 1 . . . parsed_5kx1 1
84 1 . . . parsed_5kx1 1
85 1 . . . parsed_5kx1 1
86 1 . . . parsed_5kx1 1
87 1 . . . parsed_5kx1 1
88 1 . . . parsed_5kx1 1
89 1 . . . parsed_5kx1 1
90 1 . . . parsed_5kx1 1
91 1 . . . parsed_5kx1 1
92 1 . . . parsed_5kx1 1
93 1 . . . parsed_5kx1 1
94 1 . . . parsed_5kx1 1
95 1 . . . parsed_5kx1 1
96 1 . . . parsed_5kx1 1
97 1 . . . parsed_5kx1 1
98 1 . . . parsed_5kx1 1
99 1 . . . parsed_5kx1 1
100 1 . . . parsed_5kx1 1
101 1 . . . parsed_5kx1 1
102 1 . . . parsed_5kx1 1
103 1 . . . parsed_5kx1 1
104 1 . . . parsed_5kx1 1
105 1 . . . parsed_5kx1 1
106 1 . . . parsed_5kx1 1
107 1 . . . parsed_5kx1 1
108 1 . . . parsed_5kx1 1
109 1 . . . parsed_5kx1 1
110 1 . . . parsed_5kx1 1
111 1 . . . parsed_5kx1 1
112 1 . . . parsed_5kx1 1
113 1 . . . parsed_5kx1 1
114 1 . . . parsed_5kx1 1
115 1 . . . parsed_5kx1 1
116 1 . . . parsed_5kx1 1
117 1 . . . parsed_5kx1 1
118 1 . . . parsed_5kx1 1
119 1 . . . parsed_5kx1 1
120 1 . . . parsed_5kx1 1
121 1 . . . parsed_5kx1 1
122 1 . . . parsed_5kx1 1
123 1 . . . parsed_5kx1 1
124 1 . . . parsed_5kx1 1
125 1 . . . parsed_5kx1 1
126 1 . . . parsed_5kx1 1
127 1 . . . parsed_5kx1 1
128 1 . . . parsed_5kx1 1
129 1 . . . parsed_5kx1 1
130 1 . . . parsed_5kx1 1
131 1 . . . parsed_5kx1 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 . . . . . . . . . 11 . HN parsed_5kx1 1
1 1 2 . . . . . . . . . 11 . HB# parsed_5kx1 1
2 1 1 . . . . . . . . . 11 . HB# parsed_5kx1 1
2 1 2 . . . . . . . . . 12 . HN parsed_5kx1 1
3 1 1 . . . . . . . . . 12 . HB2 parsed_5kx1 1
3 1 2 . . . . . . . . . 13 . HN parsed_5kx1 1
4 1 1 . . . . . . . . . 12 . HB1 parsed_5kx1 1
4 1 2 . . . . . . . . . 13 . HN parsed_5kx1 1
5 1 1 . . . . . . . . . 12 . HN parsed_5kx1 1
5 1 2 . . . . . . . . . 13 . HN parsed_5kx1 1
6 1 1 . . . . . . . . . 11 . HB# parsed_5kx1 1
6 1 2 . . . . . . . . . 13 . HN parsed_5kx1 1
7 1 1 . . . . . . . . . 13 . HN parsed_5kx1 1
7 1 2 . . . . . . . . . 14 . HN parsed_5kx1 1
8 1 1 . . . . . . . . . 14 . HA parsed_5kx1 1
8 1 2 . . . . . . . . . 15 . HD2 parsed_5kx1 1
9 1 1 . . . . . . . . . 14 . HA parsed_5kx1 1
9 1 2 . . . . . . . . . 15 . HD1 parsed_5kx1 1
10 1 1 . . . . . . . . . 21 . HA parsed_5kx1 1
10 1 2 . . . . . . . . . 22 . HN parsed_5kx1 1
11 1 1 . . . . . . . . . 1 . HN parsed_5kx1 1
11 1 2 . . . . . . . . . 22 . HN parsed_5kx1 1
12 1 1 . . . . . . . . . 18 . HN parsed_5kx1 1
12 1 2 . . . . . . . . . 20 . HN parsed_5kx1 1
13 1 1 . . . . . . . . . 19 . HN parsed_5kx1 1
13 1 2 . . . . . . . . . 20 . HN parsed_5kx1 1
14 1 1 . . . . . . . . . 3 . HN parsed_5kx1 1
14 1 2 . . . . . . . . . 4 . HN parsed_5kx1 1
15 1 1 . . . . . . . . . 4 . HN parsed_5kx1 1
15 1 2 . . . . . . . . . 5 . HN parsed_5kx1 1
16 1 1 . . . . . . . . . 5 . HN parsed_5kx1 1
16 1 2 . . . . . . . . . 6 . HN parsed_5kx1 1
17 1 1 . . . . . . . . . 6 . HN parsed_5kx1 1
17 1 2 . . . . . . . . . 7 . HN parsed_5kx1 1
18 1 1 . . . . . . . . . 16 . HN parsed_5kx1 1
18 1 2 . . . . . . . . . 17 . HN parsed_5kx1 1
19 1 1 . . . . . . . . . 1 . HN parsed_5kx1 1
19 1 2 . . . . . . . . . 22 . HA parsed_5kx1 1
20 1 1 . . . . . . . . . 1 . HN parsed_5kx1 1
20 1 2 . . . . . . . . . 21 . HB2 parsed_5kx1 1
21 1 1 . . . . . . . . . 1 . HN parsed_5kx1 1
21 1 2 . . . . . . . . . 21 . HB1 parsed_5kx1 1
22 1 1 . . . . . . . . . 22 . HN parsed_5kx1 1
22 1 2 . . . . . . . . . 22 . HB2 parsed_5kx1 1
23 1 1 . . . . . . . . . 22 . HN parsed_5kx1 1
23 1 2 . . . . . . . . . 22 . HB1 parsed_5kx1 1
24 1 1 . . . . . . . . . 21 . HN parsed_5kx1 1
24 1 2 . . . . . . . . . 21 . HD1# parsed_5kx1 1
25 1 1 . . . . . . . . . 21 . HN parsed_5kx1 1
25 1 2 . . . . . . . . . 21 . HD2# parsed_5kx1 1
26 1 1 . . . . . . . . . 20 . HN parsed_5kx1 1
26 1 2 . . . . . . . . . 20 . HB2 parsed_5kx1 1
27 1 1 . . . . . . . . . 20 . HN parsed_5kx1 1
27 1 2 . . . . . . . . . 20 . HB1 parsed_5kx1 1
28 1 1 . . . . . . . . . 21 . HN parsed_5kx1 1
28 1 2 . . . . . . . . . 21 . HB2 parsed_5kx1 1
29 1 1 . . . . . . . . . 21 . HN parsed_5kx1 1
29 1 2 . . . . . . . . . 21 . HB1 parsed_5kx1 1
30 1 1 . . . . . . . . . 20 . HN parsed_5kx1 1
30 1 2 . . . . . . . . . 20 . HG# parsed_5kx1 1
31 1 1 . . . . . . . . . 20 . HG# parsed_5kx1 1
31 1 2 . . . . . . . . . 21 . HN parsed_5kx1 1
32 1 1 . . . . . . . . . 18 . HB2 parsed_5kx1 1
32 1 2 . . . . . . . . . 19 . HN parsed_5kx1 1
33 1 1 . . . . . . . . . 18 . HB1 parsed_5kx1 1
33 1 2 . . . . . . . . . 19 . HN parsed_5kx1 1
34 1 1 . . . . . . . . . 19 . HN parsed_5kx1 1
34 1 2 . . . . . . . . . 19 . HG2 parsed_5kx1 1
35 1 1 . . . . . . . . . 19 . HN parsed_5kx1 1
35 1 2 . . . . . . . . . 19 . HG1 parsed_5kx1 1
36 1 1 . . . . . . . . . 18 . HN parsed_5kx1 1
36 1 2 . . . . . . . . . 19 . HN parsed_5kx1 1
37 1 1 . . . . . . . . . 18 . HA parsed_5kx1 1
37 1 2 . . . . . . . . . 21 . HN parsed_5kx1 1
38 1 1 . . . . . . . . . 5 . HN parsed_5kx1 1
38 1 2 . . . . . . . . . 5 . HB2 parsed_5kx1 1
39 1 1 . . . . . . . . . 5 . HN parsed_5kx1 1
39 1 2 . . . . . . . . . 5 . HB1 parsed_5kx1 1
40 1 1 . . . . . . . . . 17 . HG2 parsed_5kx1 1
40 1 2 . . . . . . . . . 18 . HN parsed_5kx1 1
41 1 1 . . . . . . . . . 17 . HG1 parsed_5kx1 1
41 1 2 . . . . . . . . . 18 . HN parsed_5kx1 1
42 1 1 . . . . . . . . . 17 . HB2 parsed_5kx1 1
42 1 2 . . . . . . . . . 18 . HN parsed_5kx1 1
43 1 1 . . . . . . . . . 17 . HB1 parsed_5kx1 1
43 1 2 . . . . . . . . . 18 . HN parsed_5kx1 1
44 1 1 . . . . . . . . . 17 . HN parsed_5kx1 1
44 1 2 . . . . . . . . . 18 . HN parsed_5kx1 1
45 1 1 . . . . . . . . . 17 . HN parsed_5kx1 1
45 1 2 . . . . . . . . . 17 . HG2 parsed_5kx1 1
46 1 1 . . . . . . . . . 17 . HN parsed_5kx1 1
46 1 2 . . . . . . . . . 17 . HG1 parsed_5kx1 1
47 1 1 . . . . . . . . . 16 . HB2 parsed_5kx1 1
47 1 2 . . . . . . . . . 17 . HN parsed_5kx1 1
48 1 1 . . . . . . . . . 16 . HB1 parsed_5kx1 1
48 1 2 . . . . . . . . . 17 . HN parsed_5kx1 1
49 1 1 . . . . . . . . . 16 . HN parsed_5kx1 1
49 1 2 . . . . . . . . . 16 . HB2 parsed_5kx1 1
50 1 1 . . . . . . . . . 16 . HN parsed_5kx1 1
50 1 2 . . . . . . . . . 16 . HB1 parsed_5kx1 1
51 1 1 . . . . . . . . . 16 . HN parsed_5kx1 1
51 1 2 . . . . . . . . . 16 . HG2 parsed_5kx1 1
52 1 1 . . . . . . . . . 16 . HN parsed_5kx1 1
52 1 2 . . . . . . . . . 16 . HG1 parsed_5kx1 1
53 1 1 . . . . . . . . . 12 . HN parsed_5kx1 1
53 1 2 . . . . . . . . . 12 . HB2 parsed_5kx1 1
54 1 1 . . . . . . . . . 12 . HN parsed_5kx1 1
54 1 2 . . . . . . . . . 12 . HB1 parsed_5kx1 1
55 1 1 . . . . . . . . . 7 . HN parsed_5kx1 1
55 1 2 . . . . . . . . . 7 . HB1 parsed_5kx1 1
56 1 1 . . . . . . . . . 7 . HN parsed_5kx1 1
56 1 2 . . . . . . . . . 7 . HG2 parsed_5kx1 1
57 1 1 . . . . . . . . . 7 . HN parsed_5kx1 1
57 1 2 . . . . . . . . . 7 . HG1 parsed_5kx1 1
58 1 1 . . . . . . . . . 3 . HN parsed_5kx1 1
58 1 2 . . . . . . . . . 3 . HG2 parsed_5kx1 1
59 1 1 . . . . . . . . . 3 . HN parsed_5kx1 1
59 1 2 . . . . . . . . . 3 . HG1 parsed_5kx1 1
60 1 1 . . . . . . . . . 7 . HN parsed_5kx1 1
60 1 2 . . . . . . . . . 7 . HB2 parsed_5kx1 1
61 1 1 . . . . . . . . . 10 . HN parsed_5kx1 1
61 1 2 . . . . . . . . . 10 . HG2 parsed_5kx1 1
62 1 1 . . . . . . . . . 10 . HN parsed_5kx1 1
62 1 2 . . . . . . . . . 10 . HG1 parsed_5kx1 1
63 1 1 . . . . . . . . . 22 . HN parsed_5kx1 1
63 1 2 . . . . . . . . . 22 . HG2 parsed_5kx1 1
64 1 1 . . . . . . . . . 22 . HN parsed_5kx1 1
64 1 2 . . . . . . . . . 22 . HG1 parsed_5kx1 1
65 1 1 . . . . . . . . . 19 . HN parsed_5kx1 1
65 1 2 . . . . . . . . . 19 . HB2 parsed_5kx1 1
66 1 1 . . . . . . . . . 19 . HN parsed_5kx1 1
66 1 2 . . . . . . . . . 19 . HB1 parsed_5kx1 1
67 1 1 . . . . . . . . . 19 . HA parsed_5kx1 1
67 1 2 . . . . . . . . . 19 . HD2 parsed_5kx1 1
68 1 1 . . . . . . . . . 19 . HA parsed_5kx1 1
68 1 2 . . . . . . . . . 19 . HD1 parsed_5kx1 1
69 1 1 . . . . . . . . . 21 . HA parsed_5kx1 1
69 1 2 . . . . . . . . . 21 . HD2# parsed_5kx1 1
70 1 1 . . . . . . . . . 6 . HA parsed_5kx1 1
70 1 2 . . . . . . . . . 6 . HD2 parsed_5kx1 1
71 1 1 . . . . . . . . . 6 . HA parsed_5kx1 1
71 1 2 . . . . . . . . . 6 . HD1 parsed_5kx1 1
72 1 1 . . . . . . . . . 10 . HN parsed_5kx1 1
72 1 2 . . . . . . . . . 11 . HN parsed_5kx1 1
73 1 1 . . . . . . . . . 19 . HA parsed_5kx1 1
73 1 2 . . . . . . . . . 19 . HE2 parsed_5kx1 1
74 1 1 . . . . . . . . . 19 . HA parsed_5kx1 1
74 1 2 . . . . . . . . . 19 . HE1 parsed_5kx1 1
75 1 1 . . . . . . . . . 19 . HN parsed_5kx1 1
75 1 2 . . . . . . . . . 19 . HD2 parsed_5kx1 1
76 1 1 . . . . . . . . . 19 . HN parsed_5kx1 1
76 1 2 . . . . . . . . . 19 . HD1 parsed_5kx1 1
77 1 1 . . . . . . . . . 21 . HA parsed_5kx1 1
77 1 2 . . . . . . . . . 21 . HD1# parsed_5kx1 1
78 1 1 . . . . . . . . . 8 . HA parsed_5kx1 1
78 1 2 . . . . . . . . . 9 . HD2 parsed_5kx1 1
79 1 1 . . . . . . . . . 8 . HA parsed_5kx1 1
79 1 2 . . . . . . . . . 9 . HD1 parsed_5kx1 1
80 1 1 . . . . . . . . . 20 . HA parsed_5kx1 1
80 1 2 . . . . . . . . . 20 . HG# parsed_5kx1 1
81 1 1 . . . . . . . . . 1 . HN parsed_5kx1 1
81 1 2 . . . . . . . . . 1 . HB# parsed_5kx1 1
82 1 1 . . . . . . . . . 1 . HN parsed_5kx1 1
82 1 2 . . . . . . . . . 2 . HD# parsed_5kx1 1
83 1 1 . . . . . . . . . 1 . HN parsed_5kx1 1
83 1 2 . . . . . . . . . 21 . HB# parsed_5kx1 1
84 1 1 . . . . . . . . . 1 . HA parsed_5kx1 1
84 1 2 . . . . . . . . . 2 . HD# parsed_5kx1 1
85 1 1 . . . . . . . . . 1 . HB# parsed_5kx1 1
85 1 2 . . . . . . . . . 2 . HD# parsed_5kx1 1
86 1 1 . . . . . . . . . 2 . HG# parsed_5kx1 1
86 1 2 . . . . . . . . . 3 . HN parsed_5kx1 1
87 1 1 . . . . . . . . . 3 . HN parsed_5kx1 1
87 1 2 . . . . . . . . . 3 . HG# parsed_5kx1 1
88 1 1 . . . . . . . . . 4 . HB# parsed_5kx1 1
88 1 2 . . . . . . . . . 21 . HD# parsed_5kx1 1
89 1 1 . . . . . . . . . 5 . HN parsed_5kx1 1
89 1 2 . . . . . . . . . 5 . HB# parsed_5kx1 1
90 1 1 . . . . . . . . . 5 . HN parsed_5kx1 1
90 1 2 . . . . . . . . . 21 . HD# parsed_5kx1 1
91 1 1 . . . . . . . . . 5 . HA parsed_5kx1 1
91 1 2 . . . . . . . . . 21 . HD# parsed_5kx1 1
92 1 1 . . . . . . . . . 5 . HB# parsed_5kx1 1
92 1 2 . . . . . . . . . 6 . HN parsed_5kx1 1
93 1 1 . . . . . . . . . 5 . HB# parsed_5kx1 1
93 1 2 . . . . . . . . . 21 . HD# parsed_5kx1 1
94 1 1 . . . . . . . . . 6 . HN parsed_5kx1 1
94 1 2 . . . . . . . . . 6 . HB# parsed_5kx1 1
95 1 1 . . . . . . . . . 6 . HN parsed_5kx1 1
95 1 2 . . . . . . . . . 6 . HG# parsed_5kx1 1
96 1 1 . . . . . . . . . 6 . HB# parsed_5kx1 1
96 1 2 . . . . . . . . . 7 . HN parsed_5kx1 1
97 1 1 . . . . . . . . . 7 . HN parsed_5kx1 1
97 1 2 . . . . . . . . . 7 . HB# parsed_5kx1 1
98 1 1 . . . . . . . . . 7 . HN parsed_5kx1 1
98 1 2 . . . . . . . . . 7 . HG# parsed_5kx1 1
99 1 1 . . . . . . . . . 8 . HN parsed_5kx1 1
99 1 2 . . . . . . . . . 8 . HB# parsed_5kx1 1
100 1 1 . . . . . . . . . 8 . HN parsed_5kx1 1
100 1 2 . . . . . . . . . 9 . HD# parsed_5kx1 1
101 1 1 . . . . . . . . . 8 . HA parsed_5kx1 1
101 1 2 . . . . . . . . . 9 . HD# parsed_5kx1 1
102 1 1 . . . . . . . . . 8 . HB# parsed_5kx1 1
102 1 2 . . . . . . . . . 9 . HD# parsed_5kx1 1
103 1 1 . . . . . . . . . 10 . HN parsed_5kx1 1
103 1 2 . . . . . . . . . 10 . HB# parsed_5kx1 1
104 1 1 . . . . . . . . . 10 . HN parsed_5kx1 1
104 1 2 . . . . . . . . . 10 . HG# parsed_5kx1 1
105 1 1 . . . . . . . . . 12 . HN parsed_5kx1 1
105 1 2 . . . . . . . . . 12 . HB# parsed_5kx1 1
106 1 1 . . . . . . . . . 13 . HN parsed_5kx1 1
106 1 2 . . . . . . . . . 13 . HB# parsed_5kx1 1
107 1 1 . . . . . . . . . 13 . HN parsed_5kx1 1
107 1 2 . . . . . . . . . 13 . HG# parsed_5kx1 1
108 1 1 . . . . . . . . . 13 . HB# parsed_5kx1 1
108 1 2 . . . . . . . . . 14 . HN parsed_5kx1 1
109 1 1 . . . . . . . . . 14 . HN parsed_5kx1 1
109 1 2 . . . . . . . . . 14 . HB# parsed_5kx1 1
110 1 1 . . . . . . . . . 14 . HA parsed_5kx1 1
110 1 2 . . . . . . . . . 15 . HD# parsed_5kx1 1
111 1 1 . . . . . . . . . 14 . HB# parsed_5kx1 1
111 1 2 . . . . . . . . . 15 . HD# parsed_5kx1 1
112 1 1 . . . . . . . . . 16 . HN parsed_5kx1 1
112 1 2 . . . . . . . . . 16 . HB# parsed_5kx1 1
113 1 1 . . . . . . . . . 16 . HN parsed_5kx1 1
113 1 2 . . . . . . . . . 16 . HG# parsed_5kx1 1
114 1 1 . . . . . . . . . 16 . HB# parsed_5kx1 1
114 1 2 . . . . . . . . . 17 . HN parsed_5kx1 1
115 1 1 . . . . . . . . . 16 . HB# parsed_5kx1 1
115 1 2 . . . . . . . . . 17 . HA parsed_5kx1 1
116 1 1 . . . . . . . . . 17 . HN parsed_5kx1 1
116 1 2 . . . . . . . . . 17 . HB# parsed_5kx1 1
117 1 1 . . . . . . . . . 17 . HB# parsed_5kx1 1
117 1 2 . . . . . . . . . 18 . HN parsed_5kx1 1
118 1 1 . . . . . . . . . 17 . HG# parsed_5kx1 1
118 1 2 . . . . . . . . . 18 . HN parsed_5kx1 1
119 1 1 . . . . . . . . . 18 . HN parsed_5kx1 1
119 1 2 . . . . . . . . . 18 . HB# parsed_5kx1 1
120 1 1 . . . . . . . . . 18 . HA parsed_5kx1 1
120 1 2 . . . . . . . . . 21 . HD# parsed_5kx1 1
121 1 1 . . . . . . . . . 18 . HB# parsed_5kx1 1
121 1 2 . . . . . . . . . 19 . HN parsed_5kx1 1
122 1 1 . . . . . . . . . 19 . HN parsed_5kx1 1
122 1 2 . . . . . . . . . 19 . HB# parsed_5kx1 1
123 1 1 . . . . . . . . . 19 . HA parsed_5kx1 1
123 1 2 . . . . . . . . . 19 . HD# parsed_5kx1 1
124 1 1 . . . . . . . . . 20 . HN parsed_5kx1 1
124 1 2 . . . . . . . . . 20 . HB# parsed_5kx1 1
125 1 1 . . . . . . . . . 20 . HB# parsed_5kx1 1
125 1 2 . . . . . . . . . 21 . HN parsed_5kx1 1
126 1 1 . . . . . . . . . 21 . HN parsed_5kx1 1
126 1 2 . . . . . . . . . 21 . HB# parsed_5kx1 1
127 1 1 . . . . . . . . . 21 . HA parsed_5kx1 1
127 1 2 . . . . . . . . . 21 . HD# parsed_5kx1 1
128 1 1 . . . . . . . . . 21 . HB# parsed_5kx1 1
128 1 2 . . . . . . . . . 22 . HN parsed_5kx1 1
129 1 1 . . . . . . . . . 21 . HD# parsed_5kx1 1
129 1 2 . . . . . . . . . 22 . HN parsed_5kx1 1
130 1 1 . . . . . . . . . 22 . HN parsed_5kx1 1
130 1 2 . . . . . . . . . 22 . HB# parsed_5kx1 1
131 1 1 . . . . . . . . . 22 . HN parsed_5kx1 1
131 1 2 . . . . . . . . . 22 . HG# parsed_5kx1 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 . . . . . 2.615 1.800 3.430 parsed_5kx1 1
2 1 . . . . . 2.890 1.800 3.980 parsed_5kx1 1
3 1 . . . . . 3.545 1.800 5.290 parsed_5kx1 1
4 1 . . . . . 3.545 1.800 5.290 parsed_5kx1 1
5 1 . . . . . 2.900 1.800 4.000 parsed_5kx1 1
6 1 . . . . . 3.580 1.800 5.360 parsed_5kx1 1
7 1 . . . . . 3.135 1.800 4.470 parsed_5kx1 1
8 1 . . . . . 2.805 1.800 3.810 parsed_5kx1 1
9 1 . . . . . 2.805 1.800 3.810 parsed_5kx1 1
10 1 . . . . . 2.555 1.800 3.310 parsed_5kx1 1
11 1 . . . . . 2.960 1.800 4.120 parsed_5kx1 1
12 1 . . . . . 3.065 1.800 4.330 parsed_5kx1 1
13 1 . . . . . 2.865 1.800 3.930 parsed_5kx1 1
14 1 . . . . . 2.845 1.800 3.890 parsed_5kx1 1
15 1 . . . . . 2.785 1.800 3.770 parsed_5kx1 1
16 1 . . . . . 2.945 1.800 4.090 parsed_5kx1 1
17 1 . . . . . 3.135 1.800 4.470 parsed_5kx1 1
18 1 . . . . . 2.855 1.800 3.910 parsed_5kx1 1
19 1 . . . . . 2.910 1.800 4.020 parsed_5kx1 1
20 1 . . . . . 3.265 1.800 4.730 parsed_5kx1 1
21 1 . . . . . 3.265 1.800 4.730 parsed_5kx1 1
22 1 . . . . . 2.915 1.800 4.030 parsed_5kx1 1
23 1 . . . . . 2.915 1.800 4.030 parsed_5kx1 1
24 1 . . . . . 3.290 1.800 4.780 parsed_5kx1 1
25 1 . . . . . 3.290 1.800 4.780 parsed_5kx1 1
26 1 . . . . . 2.985 1.800 4.170 parsed_5kx1 1
27 1 . . . . . 2.985 1.800 4.170 parsed_5kx1 1
28 1 . . . . . 2.840 1.800 3.880 parsed_5kx1 1
29 1 . . . . . 2.840 1.800 3.880 parsed_5kx1 1
30 1 . . . . . 3.370 1.800 4.940 parsed_5kx1 1
31 1 . . . . . 3.505 1.800 5.210 parsed_5kx1 1
32 1 . . . . . 3.185 1.800 4.570 parsed_5kx1 1
33 1 . . . . . 3.185 1.800 4.570 parsed_5kx1 1
34 1 . . . . . 3.185 1.800 4.570 parsed_5kx1 1
35 1 . . . . . 3.185 1.800 4.570 parsed_5kx1 1
36 1 . . . . . 2.845 1.800 3.890 parsed_5kx1 1
37 1 . . . . . 3.250 1.800 4.700 parsed_5kx1 1
38 1 . . . . . 2.860 1.800 3.920 parsed_5kx1 1
39 1 . . . . . 2.860 1.800 3.920 parsed_5kx1 1
40 1 . . . . . 3.650 1.800 5.500 parsed_5kx1 1
41 1 . . . . . 3.650 1.800 5.500 parsed_5kx1 1
42 1 . . . . . 3.355 1.800 4.910 parsed_5kx1 1
43 1 . . . . . 3.355 1.800 4.910 parsed_5kx1 1
44 1 . . . . . 2.790 1.800 3.780 parsed_5kx1 1
45 1 . . . . . 3.465 1.800 5.130 parsed_5kx1 1
46 1 . . . . . 3.465 1.800 5.130 parsed_5kx1 1
47 1 . . . . . 3.215 1.800 4.630 parsed_5kx1 1
48 1 . . . . . 3.215 1.800 4.630 parsed_5kx1 1
49 1 . . . . . 2.865 1.800 3.930 parsed_5kx1 1
50 1 . . . . . 2.865 1.800 3.930 parsed_5kx1 1
51 1 . . . . . 3.595 1.800 5.390 parsed_5kx1 1
52 1 . . . . . 3.595 1.800 5.390 parsed_5kx1 1
53 1 . . . . . 2.930 1.800 4.060 parsed_5kx1 1
54 1 . . . . . 2.930 1.800 4.060 parsed_5kx1 1
55 1 . . . . . 2.975 1.800 4.150 parsed_5kx1 1
56 1 . . . . . 3.600 1.800 5.400 parsed_5kx1 1
57 1 . . . . . 3.600 1.800 5.400 parsed_5kx1 1
58 1 . . . . . 3.560 1.800 5.320 parsed_5kx1 1
59 1 . . . . . 3.560 1.800 5.320 parsed_5kx1 1
60 1 . . . . . 2.975 1.800 4.150 parsed_5kx1 1
61 1 . . . . . 3.650 1.800 5.500 parsed_5kx1 1
62 1 . . . . . 3.650 1.800 5.500 parsed_5kx1 1
63 1 . . . . . 3.650 1.800 5.500 parsed_5kx1 1
64 1 . . . . . 3.650 1.800 5.500 parsed_5kx1 1
65 1 . . . . . 2.955 1.800 4.110 parsed_5kx1 1
66 1 . . . . . 2.955 1.800 4.110 parsed_5kx1 1
67 1 . . . . . 3.595 1.800 5.390 parsed_5kx1 1
68 1 . . . . . 3.595 1.800 5.390 parsed_5kx1 1
69 1 . . . . . 3.020 1.800 4.240 parsed_5kx1 1
70 1 . . . . . 3.550 1.800 5.300 parsed_5kx1 1
71 1 . . . . . 3.550 1.800 5.300 parsed_5kx1 1
72 1 . . . . . 2.665 1.800 3.530 parsed_5kx1 1
73 1 . . . . . 3.650 1.800 5.500 parsed_5kx1 1
74 1 . . . . . 3.650 1.800 5.500 parsed_5kx1 1
75 1 . . . . . 3.650 1.800 5.500 parsed_5kx1 1
76 1 . . . . . 3.650 1.800 5.500 parsed_5kx1 1
77 1 . . . . . 3.020 1.800 4.240 parsed_5kx1 1
78 1 . . . . . 2.855 1.800 3.910 parsed_5kx1 1
79 1 . . . . . 2.855 1.800 3.910 parsed_5kx1 1
80 1 . . . . . 2.525 1.800 3.250 parsed_5kx1 1
81 1 . . . . . 2.725 1.800 3.650 parsed_5kx1 1
82 1 . . . . . 3.170 1.800 4.540 parsed_5kx1 1
83 1 . . . . . 2.850 1.800 3.900 parsed_5kx1 1
84 1 . . . . . 2.495 1.800 3.190 parsed_5kx1 1
85 1 . . . . . 3.000 1.800 4.200 parsed_5kx1 1
86 1 . . . . . 2.860 1.800 3.920 parsed_5kx1 1
87 1 . . . . . 3.175 1.800 4.550 parsed_5kx1 1
88 1 . . . . . 2.975 1.800 4.150 parsed_5kx1 1
89 1 . . . . . 2.555 1.800 3.310 parsed_5kx1 1
90 1 . . . . . 3.340 1.800 4.880 parsed_5kx1 1
91 1 . . . . . 3.000 1.800 4.200 parsed_5kx1 1
92 1 . . . . . 2.940 1.800 4.080 parsed_5kx1 1
93 1 . . . . . 2.980 1.800 4.160 parsed_5kx1 1
94 1 . . . . . 2.630 1.800 3.460 parsed_5kx1 1
95 1 . . . . . 2.930 1.800 4.060 parsed_5kx1 1
96 1 . . . . . 3.045 1.800 4.290 parsed_5kx1 1
97 1 . . . . . 2.660 1.800 3.520 parsed_5kx1 1
98 1 . . . . . 3.225 1.800 4.650 parsed_5kx1 1
99 1 . . . . . 2.670 1.800 3.540 parsed_5kx1 1
100 1 . . . . . 3.260 1.800 4.720 parsed_5kx1 1
101 1 . . . . . 2.590 1.800 3.380 parsed_5kx1 1
102 1 . . . . . 3.175 1.800 4.550 parsed_5kx1 1
103 1 . . . . . 2.590 1.800 3.380 parsed_5kx1 1
104 1 . . . . . 3.285 1.800 4.770 parsed_5kx1 1
105 1 . . . . . 2.595 1.800 3.390 parsed_5kx1 1
106 1 . . . . . 2.675 1.800 3.550 parsed_5kx1 1
107 1 . . . . . 3.570 1.800 5.340 parsed_5kx1 1
108 1 . . . . . 3.020 1.800 4.240 parsed_5kx1 1
109 1 . . . . . 2.735 1.800 3.670 parsed_5kx1 1
110 1 . . . . . 2.550 1.800 3.300 parsed_5kx1 1
111 1 . . . . . 3.090 1.800 4.380 parsed_5kx1 1
112 1 . . . . . 2.505 1.800 3.210 parsed_5kx1 1
113 1 . . . . . 3.205 1.800 4.610 parsed_5kx1 1
114 1 . . . . . 2.910 1.800 4.020 parsed_5kx1 1
115 1 . . . . . 3.055 1.800 4.310 parsed_5kx1 1
116 1 . . . . . 2.695 1.800 3.590 parsed_5kx1 1
117 1 . . . . . 2.990 1.800 4.180 parsed_5kx1 1
118 1 . . . . . 3.275 1.800 4.750 parsed_5kx1 1
119 1 . . . . . 2.520 1.800 3.240 parsed_5kx1 1
120 1 . . . . . 2.950 1.800 4.100 parsed_5kx1 1
121 1 . . . . . 2.885 1.800 3.970 parsed_5kx1 1
122 1 . . . . . 2.635 1.800 3.470 parsed_5kx1 1
123 1 . . . . . 3.215 1.800 4.630 parsed_5kx1 1
124 1 . . . . . 2.625 1.800 3.450 parsed_5kx1 1
125 1 . . . . . 2.885 1.800 3.970 parsed_5kx1 1
126 1 . . . . . 2.570 1.800 3.340 parsed_5kx1 1
127 1 . . . . . 2.525 1.800 3.250 parsed_5kx1 1
128 1 . . . . . 2.870 1.800 3.940 parsed_5kx1 1
129 1 . . . . . 3.305 1.800 4.810 parsed_5kx1 1
130 1 . . . . . 2.595 1.800 3.390 parsed_5kx1 1
131 1 . . . . . 3.290 1.800 4.780 parsed_5kx1 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_5kx1 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: design12pdb.restraints" 1 1 1 43 parsed_5kx1 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5kx1
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 100.0 . . 1 . N . 1 . CA . 1 . C . 2 . N parsed_5kx1 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_5kx1 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_5kx1 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_5kx1 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 0.0 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_5kx1 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5kx1 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5kx1 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5kx1 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_5kx1 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5kx1 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 20.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5kx1 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_5kx1 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 150.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_5kx1 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5kx1 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_5kx1 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_5kx1 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5kx1 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5kx1 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5kx1 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5kx1 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5kx1 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5kx1 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5kx1 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_5kx1 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 10.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_5kx1 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_5kx1 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_5kx1 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_5kx1 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_5kx1 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_5kx1 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_5kx1 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_5kx1 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 0.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_5kx1 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_5kx1 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_5kx1 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 1 . N . 1 . CA . 1 . CB . 1 . CG parsed_5kx1 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 7 . N . 7 . CA . 7 . CB . 7 . CG parsed_5kx1 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 8 . N . 8 . CA . 8 . CB . 8 . CG parsed_5kx1 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 10 . N . 10 . CA . 10 . CB . 10 . CG parsed_5kx1 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 14 . N . 14 . CA . 14 . CB . 14 . OG parsed_5kx1 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 20 . N . 20 . CA . 20 . CB . 20 . CG parsed_5kx1 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 21 . N . 21 . CA . 21 . CB . 21 . CG parsed_5kx1 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_5kx1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5kx1
_Distance_constraint_list.ID 2
_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_5kx1 2
2 1 . . . parsed_5kx1 2
3 1 . . . parsed_5kx1 2
4 1 . . . parsed_5kx1 2
5 1 . . . parsed_5kx1 2
6 1 . . . parsed_5kx1 2
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 . . . . . . . . . 5 . HN parsed_5kx1 2
1 1 2 . . . . . . . . . 1 . O parsed_5kx1 2
2 1 1 . . . . . . . . . 5 . N parsed_5kx1 2
2 1 2 . . . . . . . . . 1 . O parsed_5kx1 2
3 1 1 . . . . . . . . . 21 . HN parsed_5kx1 2
3 1 2 . . . . . . . . . 17 . O parsed_5kx1 2
4 1 1 . . . . . . . . . 21 . N parsed_5kx1 2
4 1 2 . . . . . . . . . 17 . O parsed_5kx1 2
5 1 1 . . . . . . . . . 19 . HN parsed_5kx1 2
5 1 2 . . . . . . . . . 15 . O parsed_5kx1 2
6 1 1 . . . . . . . . . 19 . N parsed_5kx1 2
6 1 2 . . . . . . . . . 15 . O parsed_5kx1 2
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 . . . . . 0 0 2 parsed_5kx1 2
2 1 . . . . . 0 0 3 parsed_5kx1 2
3 1 . . . . . 0 0 2 parsed_5kx1 2
4 1 . . . . . 0 0 3 parsed_5kx1 2
5 1 . . . . . 0 0 2 parsed_5kx1 2
6 1 . . . . . 0 0 3 parsed_5kx1 2
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 "hbond restraints" 1 1 1 18 parsed_5kx1 2
stop_
save_
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