NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
626726 |
6bvy   |
30383 | cing | 2-parsed | STAR | entry | full | 127 |
data_6bvy_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6bvy
_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_6bvy 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6bvy
_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 6bvy "Master copy" parsed_6bvy
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6bvy
_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 6bvy.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6bvy 1
1 6bvy.mr . . XPLOR/CNS 2 distance NOE simple 106 parsed_6bvy 1
1 6bvy.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 17 parsed_6bvy 1
1 6bvy.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 4 parsed_6bvy 1
1 6bvy.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6bvy 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_6bvy
_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 14-DEC-17 6BVY
*TITLE SFTI-HFRW-4
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: TRYPSIN INHIBITOR 1 HFRW-4;
*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_COMMON: COMMON SUNFLOWER;
*SOURCE 5 ORGANISM_TAXID: 4232
*KEYWDS MELANOCORTIN, CYCLIC PEPTIDE, GRAFTING, PHARMACOPHORE, BIOSYNTHETIC
*KEYWDS 2 PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR C.I.SCHROEDER,A.WHITE
*REVDAT 1 18-APR-18 6BVY 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6bvy
_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_6bvy 1
2 1 . . . parsed_6bvy 1
3 1 . . . parsed_6bvy 1
4 1 . . . parsed_6bvy 1
5 1 . . . parsed_6bvy 1
6 1 . . . parsed_6bvy 1
7 1 . . . parsed_6bvy 1
8 1 . . . parsed_6bvy 1
9 1 . . . parsed_6bvy 1
10 1 . . . parsed_6bvy 1
11 1 . . . parsed_6bvy 1
12 1 . . . parsed_6bvy 1
13 1 . . . parsed_6bvy 1
14 1 . . . parsed_6bvy 1
15 1 . . . parsed_6bvy 1
16 1 . . . parsed_6bvy 1
17 1 . . . parsed_6bvy 1
18 1 . . . parsed_6bvy 1
19 1 . . . parsed_6bvy 1
20 1 . . . parsed_6bvy 1
21 1 . . . parsed_6bvy 1
22 1 . . . parsed_6bvy 1
23 1 . . . parsed_6bvy 1
24 1 . . . parsed_6bvy 1
25 1 . . . parsed_6bvy 1
26 1 . . . parsed_6bvy 1
27 1 . . . parsed_6bvy 1
28 1 . . . parsed_6bvy 1
29 1 . . . parsed_6bvy 1
30 1 . . . parsed_6bvy 1
31 1 . . . parsed_6bvy 1
32 1 . . . parsed_6bvy 1
33 1 . . . parsed_6bvy 1
34 1 . . . parsed_6bvy 1
35 1 . . . parsed_6bvy 1
36 1 . . . parsed_6bvy 1
37 1 . . . parsed_6bvy 1
38 1 . . . parsed_6bvy 1
39 1 . . . parsed_6bvy 1
40 1 . . . parsed_6bvy 1
41 1 . . . parsed_6bvy 1
42 1 . . . parsed_6bvy 1
43 1 . . . parsed_6bvy 1
44 1 . . . parsed_6bvy 1
45 1 . . . parsed_6bvy 1
46 1 . . . parsed_6bvy 1
47 1 . . . parsed_6bvy 1
48 1 . . . parsed_6bvy 1
49 1 . . . parsed_6bvy 1
50 1 . . . parsed_6bvy 1
51 1 . . . parsed_6bvy 1
52 1 . . . parsed_6bvy 1
53 1 . . . parsed_6bvy 1
54 1 . . . parsed_6bvy 1
55 1 . . . parsed_6bvy 1
56 1 . . . parsed_6bvy 1
57 1 . . . parsed_6bvy 1
58 1 . . . parsed_6bvy 1
59 1 . . . parsed_6bvy 1
60 1 . . . parsed_6bvy 1
61 1 . . . parsed_6bvy 1
62 1 . . . parsed_6bvy 1
63 1 . . . parsed_6bvy 1
64 1 . . . parsed_6bvy 1
65 1 . . . parsed_6bvy 1
66 1 . . . parsed_6bvy 1
67 1 . . . parsed_6bvy 1
68 1 . . . parsed_6bvy 1
69 1 . . . parsed_6bvy 1
70 1 . . . parsed_6bvy 1
71 1 . . . parsed_6bvy 1
72 1 . . . parsed_6bvy 1
73 1 . . . parsed_6bvy 1
74 1 . . . parsed_6bvy 1
75 1 . . . parsed_6bvy 1
76 1 . . . parsed_6bvy 1
77 1 . . . parsed_6bvy 1
78 1 . . . parsed_6bvy 1
79 1 . . . parsed_6bvy 1
80 1 . . . parsed_6bvy 1
81 1 . . . parsed_6bvy 1
82 1 . . . parsed_6bvy 1
83 1 . . . parsed_6bvy 1
84 1 . . . parsed_6bvy 1
85 1 . . . parsed_6bvy 1
86 1 . . . parsed_6bvy 1
87 1 . . . parsed_6bvy 1
88 1 . . . parsed_6bvy 1
89 1 . . . parsed_6bvy 1
90 1 . . . parsed_6bvy 1
91 1 . . . parsed_6bvy 1
92 1 . . . parsed_6bvy 1
93 1 . . . parsed_6bvy 1
94 1 . . . parsed_6bvy 1
95 1 . . . parsed_6bvy 1
96 1 . . . parsed_6bvy 1
97 1 . . . parsed_6bvy 1
98 1 . . . parsed_6bvy 1
99 1 . . . parsed_6bvy 1
100 1 . . . parsed_6bvy 1
101 1 . . . parsed_6bvy 1
102 1 . . . parsed_6bvy 1
103 1 . . . parsed_6bvy 1
104 1 . . . parsed_6bvy 1
105 1 . . . parsed_6bvy 1
106 1 . . . parsed_6bvy 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_6bvy 1
1 1 2 . . . . . . . . . 2 . HB parsed_6bvy 1
2 1 1 . . . . . . . . . 2 . HN parsed_6bvy 1
2 1 2 . . . . . . . . . 2 . QG2 parsed_6bvy 1
3 1 1 . . . . . . . . . 2 . HA parsed_6bvy 1
3 1 2 . . . . . . . . . 3 . HN parsed_6bvy 1
4 1 1 . . . . . . . . . 2 . HB parsed_6bvy 1
4 1 2 . . . . . . . . . 3 . HN parsed_6bvy 1
5 1 1 . . . . . . . . . 3 . HA parsed_6bvy 1
5 1 2 . . . . . . . . . 4 . HN parsed_6bvy 1
6 1 1 . . . . . . . . . 4 . HA parsed_6bvy 1
6 1 2 . . . . . . . . . 5 . HN parsed_6bvy 1
7 1 1 . . . . . . . . . 5 . HN parsed_6bvy 1
7 1 2 . . . . . . . . . 5 . HG12 parsed_6bvy 1
8 1 1 . . . . . . . . . 14 . HN parsed_6bvy 1
8 1 2 . . . . . . . . . 14 . HD2 parsed_6bvy 1
9 1 1 . . . . . . . . . 14 . HN parsed_6bvy 1
9 1 2 . . . . . . . . . 14 . HD1 parsed_6bvy 1
10 1 1 . . . . . . . . . 13 . HA parsed_6bvy 1
10 1 2 . . . . . . . . . 14 . HN parsed_6bvy 1
11 1 1 . . . . . . . . . 13 . HN parsed_6bvy 1
11 1 2 . . . . . . . . . 13 . HB1 parsed_6bvy 1
12 1 1 . . . . . . . . . 13 . HN parsed_6bvy 1
12 1 2 . . . . . . . . . 13 . HB2 parsed_6bvy 1
13 1 1 . . . . . . . . . 13 . HB1 parsed_6bvy 1
13 1 2 . . . . . . . . . 14 . HN parsed_6bvy 1
14 1 1 . . . . . . . . . 13 . HB2 parsed_6bvy 1
14 1 2 . . . . . . . . . 14 . HN parsed_6bvy 1
15 1 1 . . . . . . . . . 1 . HA parsed_6bvy 1
15 1 2 . . . . . . . . . 2 . HN parsed_6bvy 1
16 1 1 . . . . . . . . . 5 . HA parsed_6bvy 1
16 1 2 . . . . . . . . . 6 . HA parsed_6bvy 1
17 1 1 . . . . . . . . . 5 . HA parsed_6bvy 1
17 1 2 . . . . . . . . . 7 . HD2 parsed_6bvy 1
18 1 1 . . . . . . . . . 5 . HA parsed_6bvy 1
18 1 2 . . . . . . . . . 7 . HD1 parsed_6bvy 1
19 1 1 . . . . . . . . . 6 . HA parsed_6bvy 1
19 1 2 . . . . . . . . . 7 . HD2 parsed_6bvy 1
20 1 1 . . . . . . . . . 6 . HA parsed_6bvy 1
20 1 2 . . . . . . . . . 7 . HD1 parsed_6bvy 1
21 1 1 . . . . . . . . . 6 . HB2 parsed_6bvy 1
21 1 2 . . . . . . . . . 7 . HD2 parsed_6bvy 1
22 1 1 . . . . . . . . . 6 . HB2 parsed_6bvy 1
22 1 2 . . . . . . . . . 7 . HD1 parsed_6bvy 1
23 1 1 . . . . . . . . . 8 . HN parsed_6bvy 1
23 1 2 . . . . . . . . . 8 . HG12 parsed_6bvy 1
24 1 1 . . . . . . . . . 8 . HN parsed_6bvy 1
24 1 2 . . . . . . . . . 8 . HG11 parsed_6bvy 1
25 1 1 . . . . . . . . . 8 . HN parsed_6bvy 1
25 1 2 . . . . . . . . . 8 . QD1 parsed_6bvy 1
26 1 1 . . . . . . . . . 8 . HN parsed_6bvy 1
26 1 2 . . . . . . . . . 8 . QG2 parsed_6bvy 1
27 1 1 . . . . . . . . . 8 . HN parsed_6bvy 1
27 1 2 . . . . . . . . . 8 . HB parsed_6bvy 1
28 1 1 . . . . . . . . . 7 . HA parsed_6bvy 1
28 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1
29 1 1 . . . . . . . . . 8 . HA parsed_6bvy 1
29 1 2 . . . . . . . . . 9 . HN parsed_6bvy 1
30 1 1 . . . . . . . . . 1 . HN parsed_6bvy 1
30 1 2 . . . . . . . . . 14 . HA parsed_6bvy 1
31 1 1 . . . . . . . . . 12 . HB2 parsed_6bvy 1
31 1 2 . . . . . . . . . 12 . HE parsed_6bvy 1
32 1 1 . . . . . . . . . 12 . HB1 parsed_6bvy 1
32 1 2 . . . . . . . . . 12 . HE parsed_6bvy 1
33 1 1 . . . . . . . . . 5 . HN parsed_6bvy 1
33 1 2 . . . . . . . . . 5 . HB parsed_6bvy 1
34 1 1 . . . . . . . . . 13 . HB2 parsed_6bvy 1
34 1 2 . . . . . . . . . 13 . HD1 parsed_6bvy 1
35 1 1 . . . . . . . . . 13 . HB1 parsed_6bvy 1
35 1 2 . . . . . . . . . 13 . HE3 parsed_6bvy 1
36 1 1 . . . . . . . . . 13 . HA parsed_6bvy 1
36 1 2 . . . . . . . . . 13 . HE3 parsed_6bvy 1
37 1 1 . . . . . . . . . 13 . HA parsed_6bvy 1
37 1 2 . . . . . . . . . 13 . HD1 parsed_6bvy 1
38 1 1 . . . . . . . . . 2 . HN parsed_6bvy 1
38 1 2 . . . . . . . . . 9 . HA parsed_6bvy 1
39 1 1 . . . . . . . . . 2 . HN parsed_6bvy 1
39 1 2 . . . . . . . . . 10 . QN parsed_6bvy 1
40 1 1 . . . . . . . . . 2 . HN parsed_6bvy 1
40 1 2 . . . . . . . . . 8 . HB parsed_6bvy 1
41 1 1 . . . . . . . . . 8 . QG2 parsed_6bvy 1
41 1 2 . . . . . . . . . 9 . HN parsed_6bvy 1
42 1 1 . . . . . . . . . 2 . HN parsed_6bvy 1
42 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1
43 1 1 . . . . . . . . . 3 . HN parsed_6bvy 1
43 1 2 . . . . . . . . . 4 . HN parsed_6bvy 1
44 1 1 . . . . . . . . . 7 . HB2 parsed_6bvy 1
44 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1
45 1 1 . . . . . . . . . 7 . HB1 parsed_6bvy 1
45 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1
46 1 1 . . . . . . . . . 2 . HB parsed_6bvy 1
46 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1
47 1 1 . . . . . . . . . 10 . QN parsed_6bvy 1
47 1 2 . . . . . . . . . 13 . HN parsed_6bvy 1
48 1 1 . . . . . . . . . 12 . QN parsed_6bvy 1
48 1 2 . . . . . . . . . 13 . HN parsed_6bvy 1
49 1 1 . . . . . . . . . 4 . HN parsed_6bvy 1
49 1 2 . . . . . . . . . 7 . HA parsed_6bvy 1
50 1 1 . . . . . . . . . 3 . QB parsed_6bvy 1
50 1 2 . . . . . . . . . 4 . HN parsed_6bvy 1
51 1 1 . . . . . . . . . 10 . QN parsed_6bvy 1
51 1 2 . . . . . . . . . 13 . HD1 parsed_6bvy 1
52 1 1 . . . . . . . . . 10 . HB1 parsed_6bvy 1
52 1 2 . . . . . . . . . 13 . HD1 parsed_6bvy 1
53 1 1 . . . . . . . . . 10 . HB2 parsed_6bvy 1
53 1 2 . . . . . . . . . 13 . HD1 parsed_6bvy 1
54 1 1 . . . . . . . . . 12 . QN parsed_6bvy 1
54 1 2 . . . . . . . . . 13 . HD1 parsed_6bvy 1
55 1 1 . . . . . . . . . 11 . QD parsed_6bvy 1
55 1 2 . . . . . . . . . 12 . QN parsed_6bvy 1
56 1 1 . . . . . . . . . 10 . QN parsed_6bvy 1
56 1 2 . . . . . . . . . 10 . HD2 parsed_6bvy 1
57 1 1 . . . . . . . . . 11 . QD parsed_6bvy 1
57 1 2 . . . . . . . . . 12 . HG2 parsed_6bvy 1
58 1 1 . . . . . . . . . 11 . QD parsed_6bvy 1
58 1 2 . . . . . . . . . 12 . HG1 parsed_6bvy 1
59 1 1 . . . . . . . . . 11 . QE parsed_6bvy 1
59 1 2 . . . . . . . . . 12 . HG1 parsed_6bvy 1
60 1 1 . . . . . . . . . 11 . QE parsed_6bvy 1
60 1 2 . . . . . . . . . 12 . HG2 parsed_6bvy 1
61 1 1 . . . . . . . . . 11 . HA parsed_6bvy 1
61 1 2 . . . . . . . . . 11 . QD parsed_6bvy 1
62 1 1 . . . . . . . . . 4 . HN parsed_6bvy 1
62 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1
63 1 1 . . . . . . . . . 9 . HA parsed_6bvy 1
63 1 2 . . . . . . . . . 10 . QN parsed_6bvy 1
64 1 1 . . . . . . . . . 1 . HA parsed_6bvy 1
64 1 2 . . . . . . . . . 10 . QN parsed_6bvy 1
65 1 1 . . . . . . . . . 1 . HA parsed_6bvy 1
65 1 2 . . . . . . . . . 9 . HA parsed_6bvy 1
66 1 1 . . . . . . . . . 5 . HA parsed_6bvy 1
66 1 2 . . . . . . . . . 5 . QG2 parsed_6bvy 1
67 1 1 . . . . . . . . . 2 . HA parsed_6bvy 1
67 1 2 . . . . . . . . . 2 . QG2 parsed_6bvy 1
68 1 1 . . . . . . . . . 8 . HA parsed_6bvy 1
68 1 2 . . . . . . . . . 8 . QG2 parsed_6bvy 1
69 1 1 . . . . . . . . . 8 . HA parsed_6bvy 1
69 1 2 . . . . . . . . . 8 . QD1 parsed_6bvy 1
70 1 1 . . . . . . . . . 8 . QG2 parsed_6bvy 1
70 1 2 . . . . . . . . . 8 . QD1 parsed_6bvy 1
71 1 1 . . . . . . . . . 10 . QN parsed_6bvy 1
71 1 2 . . . . . . . . . 13 . HB1 parsed_6bvy 1
72 1 1 . . . . . . . . . 10 . QN parsed_6bvy 1
72 1 2 . . . . . . . . . 13 . HB2 parsed_6bvy 1
73 1 1 . . . . . . . . . 8 . QG2 parsed_6bvy 1
73 1 2 . . . . . . . . . 10 . QN parsed_6bvy 1
74 1 1 . . . . . . . . . 12 . QN parsed_6bvy 1
74 1 2 . . . . . . . . . 13 . HE1 parsed_6bvy 1
75 1 1 . . . . . . . . . 6 . HB1 parsed_6bvy 1
75 1 2 . . . . . . . . . 7 . HD1 parsed_6bvy 1
76 1 1 . . . . . . . . . 6 . HB1 parsed_6bvy 1
76 1 2 . . . . . . . . . 7 . HD2 parsed_6bvy 1
77 1 1 . . . . . . . . . 3 . HN parsed_6bvy 1
77 1 2 . . . . . . . . . 3 . QB parsed_6bvy 1
78 1 1 . . . . . . . . . 5 . HN parsed_6bvy 1
78 1 2 . . . . . . . . . 5 . HG11 parsed_6bvy 1
79 1 1 . . . . . . . . . 5 . HN parsed_6bvy 1
79 1 2 . . . . . . . . . 5 . QG2 parsed_6bvy 1
80 1 1 . . . . . . . . . 5 . HN parsed_6bvy 1
80 1 2 . . . . . . . . . 5 . QD1 parsed_6bvy 1
81 1 1 . . . . . . . . . 14 . HN parsed_6bvy 1
81 1 2 . . . . . . . . . 14 . HG2 parsed_6bvy 1
82 1 1 . . . . . . . . . 14 . HN parsed_6bvy 1
82 1 2 . . . . . . . . . 14 . HG1 parsed_6bvy 1
83 1 1 . . . . . . . . . 1 . HN parsed_6bvy 1
83 1 2 . . . . . . . . . 1 . QB parsed_6bvy 1
84 1 1 . . . . . . . . . 1 . HN parsed_6bvy 1
84 1 2 . . . . . . . . . 14 . QB parsed_6bvy 1
85 1 1 . . . . . . . . . 1 . QB parsed_6bvy 1
85 1 2 . . . . . . . . . 2 . HN parsed_6bvy 1
86 1 1 . . . . . . . . . 1 . QB parsed_6bvy 1
86 1 2 . . . . . . . . . 7 . QB parsed_6bvy 1
87 1 1 . . . . . . . . . 1 . QB parsed_6bvy 1
87 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1
88 1 1 . . . . . . . . . 4 . HN parsed_6bvy 1
88 1 2 . . . . . . . . . 4 . QB parsed_6bvy 1
89 1 1 . . . . . . . . . 4 . QB parsed_6bvy 1
89 1 2 . . . . . . . . . 5 . HN parsed_6bvy 1
90 1 1 . . . . . . . . . 5 . HN parsed_6bvy 1
90 1 2 . . . . . . . . . 5 . QG1 parsed_6bvy 1
91 1 1 . . . . . . . . . 5 . HA parsed_6bvy 1
91 1 2 . . . . . . . . . 7 . QD parsed_6bvy 1
92 1 1 . . . . . . . . . 5 . QG2 parsed_6bvy 1
92 1 2 . . . . . . . . . 5 . QG1 parsed_6bvy 1
93 1 1 . . . . . . . . . 5 . QG2 parsed_6bvy 1
93 1 2 . . . . . . . . . 7 . QD parsed_6bvy 1
94 1 1 . . . . . . . . . 5 . QD1 parsed_6bvy 1
94 1 2 . . . . . . . . . 7 . QD parsed_6bvy 1
95 1 1 . . . . . . . . . 6 . HA parsed_6bvy 1
95 1 2 . . . . . . . . . 7 . QD parsed_6bvy 1
96 1 1 . . . . . . . . . 6 . QB parsed_6bvy 1
96 1 2 . . . . . . . . . 7 . QD parsed_6bvy 1
97 1 1 . . . . . . . . . 7 . QB parsed_6bvy 1
97 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1
98 1 1 . . . . . . . . . 8 . HN parsed_6bvy 1
98 1 2 . . . . . . . . . 8 . QG1 parsed_6bvy 1
99 1 1 . . . . . . . . . 9 . HN parsed_6bvy 1
99 1 2 . . . . . . . . . 9 . QB parsed_6bvy 1
100 1 1 . . . . . . . . . 10 . QB parsed_6bvy 1
100 1 2 . . . . . . . . . 13 . HD1 parsed_6bvy 1
101 1 1 . . . . . . . . . 11 . HN parsed_6bvy 1
101 1 2 . . . . . . . . . 11 . QB parsed_6bvy 1
102 1 1 . . . . . . . . . 11 . QE parsed_6bvy 1
102 1 2 . . . . . . . . . 12 . QG parsed_6bvy 1
103 1 1 . . . . . . . . . 12 . QN parsed_6bvy 1
103 1 2 . . . . . . . . . 12 . QB parsed_6bvy 1
104 1 1 . . . . . . . . . 12 . QN parsed_6bvy 1
104 1 2 . . . . . . . . . 12 . QG parsed_6bvy 1
105 1 1 . . . . . . . . . 14 . HN parsed_6bvy 1
105 1 2 . . . . . . . . . 14 . QB parsed_6bvy 1
106 1 1 . . . . . . . . . 14 . HA parsed_6bvy 1
106 1 2 . . . . . . . . . 14 . QG parsed_6bvy 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 . . . . . 3.87 0.00 3.87 parsed_6bvy 1
2 1 . . . . . 3.25 0.00 3.25 parsed_6bvy 1
3 1 . . . . . 2.89 0.00 2.89 parsed_6bvy 1
4 1 . . . . . 3.29 0.00 3.29 parsed_6bvy 1
5 1 . . . . . 3.50 0.00 3.50 parsed_6bvy 1
6 1 . . . . . 3.02 0.00 3.02 parsed_6bvy 1
7 1 . . . . . 4.70 0.00 4.70 parsed_6bvy 1
8 1 . . . . . 5.50 0.00 5.50 parsed_6bvy 1
9 1 . . . . . 5.50 0.00 5.50 parsed_6bvy 1
10 1 . . . . . 3.04 0.00 3.04 parsed_6bvy 1
11 1 . . . . . 4.07 0.00 4.07 parsed_6bvy 1
12 1 . . . . . 3.24 0.00 3.24 parsed_6bvy 1
13 1 . . . . . 3.04 0.00 3.04 parsed_6bvy 1
14 1 . . . . . 4.23 0.00 4.23 parsed_6bvy 1
15 1 . . . . . 2.80 0.00 2.80 parsed_6bvy 1
16 1 . . . . . 3.71 0.00 3.71 parsed_6bvy 1
17 1 . . . . . 4.09 0.00 4.09 parsed_6bvy 1
18 1 . . . . . 4.09 0.00 4.09 parsed_6bvy 1
19 1 . . . . . 3.02 0.00 3.02 parsed_6bvy 1
20 1 . . . . . 3.02 0.00 3.02 parsed_6bvy 1
21 1 . . . . . 4.42 0.00 4.42 parsed_6bvy 1
22 1 . . . . . 4.42 0.00 4.42 parsed_6bvy 1
23 1 . . . . . 4.18 0.00 4.18 parsed_6bvy 1
24 1 . . . . . 4.18 0.00 4.18 parsed_6bvy 1
25 1 . . . . . 4.85 0.00 4.85 parsed_6bvy 1
26 1 . . . . . 4.62 0.00 4.62 parsed_6bvy 1
27 1 . . . . . 3.30 0.00 3.30 parsed_6bvy 1
28 1 . . . . . 2.81 0.00 2.81 parsed_6bvy 1
29 1 . . . . . 2.78 0.00 2.78 parsed_6bvy 1
30 1 . . . . . 3.21 0.00 3.21 parsed_6bvy 1
31 1 . . . . . 5.50 0.00 5.50 parsed_6bvy 1
32 1 . . . . . 5.50 0.00 5.50 parsed_6bvy 1
33 1 . . . . . 3.45 0.00 3.45 parsed_6bvy 1
34 1 . . . . . 3.53 0.00 3.53 parsed_6bvy 1
35 1 . . . . . 3.96 0.00 3.96 parsed_6bvy 1
36 1 . . . . . 3.48 0.00 3.48 parsed_6bvy 1
37 1 . . . . . 4.22 0.00 4.22 parsed_6bvy 1
38 1 . . . . . 4.16 0.00 4.16 parsed_6bvy 1
39 1 . . . . . 4.83 0.00 4.83 parsed_6bvy 1
40 1 . . . . . 4.52 0.00 4.52 parsed_6bvy 1
41 1 . . . . . 3.86 0.00 3.86 parsed_6bvy 1
42 1 . . . . . 3.49 0.00 3.49 parsed_6bvy 1
43 1 . . . . . 4.10 0.00 4.10 parsed_6bvy 1
44 1 . . . . . 4.36 0.00 4.36 parsed_6bvy 1
45 1 . . . . . 4.36 0.00 4.36 parsed_6bvy 1
46 1 . . . . . 4.59 0.00 4.59 parsed_6bvy 1
47 1 . . . . . 3.60 0.00 3.60 parsed_6bvy 1
48 1 . . . . . 3.72 0.00 3.72 parsed_6bvy 1
49 1 . . . . . 3.82 0.00 3.82 parsed_6bvy 1
50 1 . . . . . 4.27 0.00 4.27 parsed_6bvy 1
51 1 . . . . . 4.56 0.00 4.56 parsed_6bvy 1
52 1 . . . . . 4.60 0.00 4.60 parsed_6bvy 1
53 1 . . . . . 4.60 0.00 4.60 parsed_6bvy 1
54 1 . . . . . 3.66 0.00 3.66 parsed_6bvy 1
55 1 . . . . . 3.74 0.00 3.74 parsed_6bvy 1
56 1 . . . . . 4.62 0.00 4.62 parsed_6bvy 1
57 1 . . . . . 4.50 0.00 4.50 parsed_6bvy 1
58 1 . . . . . 4.50 0.00 4.50 parsed_6bvy 1
59 1 . . . . . 4.64 0.00 4.64 parsed_6bvy 1
60 1 . . . . . 4.64 0.00 4.64 parsed_6bvy 1
61 1 . . . . . 4.21 0.00 4.21 parsed_6bvy 1
62 1 . . . . . 4.81 0.00 4.81 parsed_6bvy 1
63 1 . . . . . 3.35 0.00 3.35 parsed_6bvy 1
64 1 . . . . . 4.56 0.00 4.56 parsed_6bvy 1
65 1 . . . . . 3.89 0.00 3.89 parsed_6bvy 1
66 1 . . . . . 4.05 0.00 4.05 parsed_6bvy 1
67 1 . . . . . 3.76 0.00 3.76 parsed_6bvy 1
68 1 . . . . . 4.01 0.00 4.01 parsed_6bvy 1
69 1 . . . . . 4.54 0.00 4.54 parsed_6bvy 1
70 1 . . . . . 2.47 0.00 2.47 parsed_6bvy 1
71 1 . . . . . 4.32 0.00 4.32 parsed_6bvy 1
72 1 . . . . . 4.95 0.00 4.95 parsed_6bvy 1
73 1 . . . . . 4.89 0.00 4.89 parsed_6bvy 1
74 1 . . . . . 4.40 0.00 4.40 parsed_6bvy 1
75 1 . . . . . 4.42 0.00 4.42 parsed_6bvy 1
76 1 . . . . . 4.42 0.00 4.42 parsed_6bvy 1
77 1 . . . . . 3.19 0.00 3.19 parsed_6bvy 1
78 1 . . . . . 4.70 0.00 4.70 parsed_6bvy 1
79 1 . . . . . 4.54 0.00 4.54 parsed_6bvy 1
80 1 . . . . . 5.01 0.00 5.01 parsed_6bvy 1
81 1 . . . . . 4.00 0.00 4.00 parsed_6bvy 1
82 1 . . . . . 4.00 0.00 4.00 parsed_6bvy 1
83 1 . . . . . 3.07 0.00 3.07 parsed_6bvy 1
84 1 . . . . . 3.95 0.00 3.95 parsed_6bvy 1
85 1 . . . . . 3.23 0.00 3.23 parsed_6bvy 1
86 1 . . . . . 3.92 0.00 3.92 parsed_6bvy 1
87 1 . . . . . 4.64 0.00 4.64 parsed_6bvy 1
88 1 . . . . . 3.54 0.00 3.54 parsed_6bvy 1
89 1 . . . . . 3.08 0.00 3.08 parsed_6bvy 1
90 1 . . . . . 4.04 0.00 4.04 parsed_6bvy 1
91 1 . . . . . 3.38 0.00 3.38 parsed_6bvy 1
92 1 . . . . . 3.32 0.00 3.32 parsed_6bvy 1
93 1 . . . . . 5.35 0.00 5.35 parsed_6bvy 1
94 1 . . . . . 5.35 0.00 5.35 parsed_6bvy 1
95 1 . . . . . 2.60 0.00 2.60 parsed_6bvy 1
96 1 . . . . . 3.21 0.00 3.21 parsed_6bvy 1
97 1 . . . . . 3.82 0.00 3.82 parsed_6bvy 1
98 1 . . . . . 3.56 0.00 3.56 parsed_6bvy 1
99 1 . . . . . 3.23 0.00 3.23 parsed_6bvy 1
100 1 . . . . . 3.83 0.00 3.83 parsed_6bvy 1
101 1 . . . . . 3.62 0.00 3.62 parsed_6bvy 1
102 1 . . . . . 4.06 0.00 4.06 parsed_6bvy 1
103 1 . . . . . 2.93 0.00 2.93 parsed_6bvy 1
104 1 . . . . . 3.48 0.00 3.48 parsed_6bvy 1
105 1 . . . . . 2.75 0.00 2.75 parsed_6bvy 1
106 1 . . . . . 3.54 0.00 3.54 parsed_6bvy 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_6bvy 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_6bvy 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6bvy
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.1 -87.5 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6bvy 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.6 158.6 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6bvy 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.9 -52.1 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6bvy 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.3 171.1 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6bvy 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.4 -60.6 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6bvy 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 169.8 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6bvy 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.4 170.6 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6bvy 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.7 164.7 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6bvy 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.5 -60.5 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6bvy 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.2 147.2 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6bvy 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.8 -98.2 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6bvy 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.4 167.0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6bvy 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 1 . N . 1 . CA . 1 . CB . 1 . SG parsed_6bvy 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 4 . N . 4 . CA . 4 . CB . 4 . OG parsed_6bvy 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 9 . N . 9 . CA . 9 . CB . 9 . SG parsed_6bvy 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_6bvy 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . N . 13 . CA . 13 . CB . 13 . CG parsed_6bvy 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_6bvy 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6bvy
_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_6bvy 2
2 1 . . . parsed_6bvy 2
3 1 . . . parsed_6bvy 2
4 1 . . . parsed_6bvy 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 . . . . . . . . . 2 . O parsed_6bvy 2
1 1 2 . . . . . . . . . 4 . HN parsed_6bvy 2
2 1 1 . . . . . . . . . 2 . O parsed_6bvy 2
2 1 2 . . . . . . . . . 4 . N parsed_6bvy 2
3 1 1 . . . . . . . . . 2 . OG1 parsed_6bvy 2
3 1 2 . . . . . . . . . 8 . HN parsed_6bvy 2
4 1 1 . . . . . . . . . 2 . OG1 parsed_6bvy 2
4 1 2 . . . . . . . . . 8 . N parsed_6bvy 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 . . . . . 2.00 0.00 2.00 parsed_6bvy 2
2 1 . . . . . 3.00 0.00 3.00 parsed_6bvy 2
3 1 . . . . . 2.00 0.00 2.00 parsed_6bvy 2
4 1 . . . . . 3.00 0.00 3.00 parsed_6bvy 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 H-bonds 1 1 1 9 parsed_6bvy 2
stop_
save_
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