NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
647547 |
6u7x   |
30671 | cing | 2-parsed | STAR | entry | full | 117 |
data_6u7x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6u7x
_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_6u7x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6u7x
_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 6u7x "Master copy" parsed_6u7x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6u7x
_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 6u7x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6u7x 1
1 6u7x.mr . . XPLOR/CNS 2 distance NOE simple 97 parsed_6u7x 1
1 6u7x.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_6u7x 1
1 6u7x.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 2 parsed_6u7x 1
1 6u7x.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6u7x 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_6u7x
_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 03-SEP-19 6U7X
*TITLE NMR SOLUTION STRUCTURE OF TRIAZOLE BRIDGED PLASMIN INHIBITOR
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: GLY-ARG-ALA-TYR-LYS-SER-LYS-PRO-PRO-ILE-ALA-PHE-PRO-ASP;
*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 TRIAZOLE, DISULFIDE MIMETIC, INHIBITOR, BIOSYNTHETIC PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR A.M.WHITE,P.J.HARVEY,C.K.WANG,T.DUREK,D.J.CRAIK
*REVDAT 1 22-APR-20 6U7X 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6u7x
_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_6u7x 1
2 1 . . . parsed_6u7x 1
3 1 . . . parsed_6u7x 1
4 1 . . . parsed_6u7x 1
5 1 . . . parsed_6u7x 1
6 1 . . . parsed_6u7x 1
7 1 . . . parsed_6u7x 1
8 1 . . . parsed_6u7x 1
9 1 . . . parsed_6u7x 1
10 1 . . . parsed_6u7x 1
11 1 . . . parsed_6u7x 1
12 1 . . . parsed_6u7x 1
13 1 . . . parsed_6u7x 1
14 1 . . . parsed_6u7x 1
15 1 . . . parsed_6u7x 1
16 1 . . . parsed_6u7x 1
17 1 . . . parsed_6u7x 1
18 1 . . . parsed_6u7x 1
19 1 . . . parsed_6u7x 1
20 1 . . . parsed_6u7x 1
21 1 . . . parsed_6u7x 1
22 1 . . . parsed_6u7x 1
23 1 . . . parsed_6u7x 1
24 1 . . . parsed_6u7x 1
25 1 . . . parsed_6u7x 1
26 1 . . . parsed_6u7x 1
27 1 . . . parsed_6u7x 1
28 1 . . . parsed_6u7x 1
29 1 . . . parsed_6u7x 1
30 1 . . . parsed_6u7x 1
31 1 . . . parsed_6u7x 1
32 1 . . . parsed_6u7x 1
33 1 . . . parsed_6u7x 1
34 1 . . . parsed_6u7x 1
35 1 . . . parsed_6u7x 1
36 1 . . . parsed_6u7x 1
37 1 . . . parsed_6u7x 1
38 1 . . . parsed_6u7x 1
39 1 . . . parsed_6u7x 1
40 1 . . . parsed_6u7x 1
41 1 . . . parsed_6u7x 1
42 1 . . . parsed_6u7x 1
43 1 . . . parsed_6u7x 1
44 1 . . . parsed_6u7x 1
45 1 . . . parsed_6u7x 1
46 1 . . . parsed_6u7x 1
47 1 . . . parsed_6u7x 1
48 1 . . . parsed_6u7x 1
49 1 . . . parsed_6u7x 1
50 1 . . . parsed_6u7x 1
51 1 . . . parsed_6u7x 1
52 1 . . . parsed_6u7x 1
53 1 . . . parsed_6u7x 1
54 1 . . . parsed_6u7x 1
55 1 . . . parsed_6u7x 1
56 1 . . . parsed_6u7x 1
57 1 . . . parsed_6u7x 1
58 1 . . . parsed_6u7x 1
59 1 . . . parsed_6u7x 1
60 1 . . . parsed_6u7x 1
61 1 . . . parsed_6u7x 1
62 1 . . . parsed_6u7x 1
63 1 . . . parsed_6u7x 1
64 1 . . . parsed_6u7x 1
65 1 . . . parsed_6u7x 1
66 1 . . . parsed_6u7x 1
67 1 . . . parsed_6u7x 1
68 1 . . . parsed_6u7x 1
69 1 . . . parsed_6u7x 1
70 1 . . . parsed_6u7x 1
71 1 . . . parsed_6u7x 1
72 1 . . . parsed_6u7x 1
73 1 . . . parsed_6u7x 1
74 1 . . . parsed_6u7x 1
75 1 . . . parsed_6u7x 1
76 1 . . . parsed_6u7x 1
77 1 . . . parsed_6u7x 1
78 1 . . . parsed_6u7x 1
79 1 . . . parsed_6u7x 1
80 1 . . . parsed_6u7x 1
81 1 . . . parsed_6u7x 1
82 1 . . . parsed_6u7x 1
83 1 . . . parsed_6u7x 1
84 1 . . . parsed_6u7x 1
85 1 . . . parsed_6u7x 1
86 1 . . . parsed_6u7x 1
87 1 . . . parsed_6u7x 1
88 1 . . . parsed_6u7x 1
89 1 . . . parsed_6u7x 1
90 1 . . . parsed_6u7x 1
91 1 . . . parsed_6u7x 1
92 1 . . . parsed_6u7x 1
93 1 . . . parsed_6u7x 1
94 1 . . . parsed_6u7x 1
95 1 . . . parsed_6u7x 1
96 1 . . . parsed_6u7x 1
97 1 . . . parsed_6u7x 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_6u7x 1
1 1 2 . . . . . . . . . 2 . HB2 parsed_6u7x 1
2 1 1 . . . . . . . . . 2 . HN parsed_6u7x 1
2 1 2 . . . . . . . . . 2 . HG2 parsed_6u7x 1
3 1 1 . . . . . . . . . 2 . HN parsed_6u7x 1
3 1 2 . . . . . . . . . 2 . HG1 parsed_6u7x 1
4 1 1 . . . . . . . . . 2 . HN parsed_6u7x 1
4 1 2 . . . . . . . . . 2 . HB1 parsed_6u7x 1
5 1 1 . . . . . . . . . 2 . HB1 parsed_6u7x 1
5 1 2 . . . . . . . . . 2 . HE parsed_6u7x 1
6 1 1 . . . . . . . . . 2 . HB2 parsed_6u7x 1
6 1 2 . . . . . . . . . 2 . HE parsed_6u7x 1
7 1 1 . . . . . . . . . 2 . HA parsed_6u7x 1
7 1 2 . . . . . . . . . 3 . HN parsed_6u7x 1
8 1 1 . . . . . . . . . 4 . HN parsed_6u7x 1
8 1 2 . . . . . . . . . 4 . HB1 parsed_6u7x 1
9 1 1 . . . . . . . . . 3 . HA parsed_6u7x 1
9 1 2 . . . . . . . . . 4 . HN parsed_6u7x 1
10 1 1 . . . . . . . . . 6 . HA parsed_6u7x 1
10 1 2 . . . . . . . . . 7 . HN parsed_6u7x 1
11 1 1 . . . . . . . . . 8 . HA parsed_6u7x 1
11 1 2 . . . . . . . . . 9 . HD1 parsed_6u7x 1
12 1 1 . . . . . . . . . 8 . HA parsed_6u7x 1
12 1 2 . . . . . . . . . 9 . HD2 parsed_6u7x 1
13 1 1 . . . . . . . . . 9 . HA parsed_6u7x 1
13 1 2 . . . . . . . . . 10 . HN parsed_6u7x 1
14 1 1 . . . . . . . . . 10 . HN parsed_6u7x 1
14 1 2 . . . . . . . . . 10 . HB parsed_6u7x 1
15 1 1 . . . . . . . . . 10 . HA parsed_6u7x 1
15 1 2 . . . . . . . . . 11 . HN parsed_6u7x 1
16 1 1 . . . . . . . . . 12 . HN parsed_6u7x 1
16 1 2 . . . . . . . . . 12 . HB2 parsed_6u7x 1
17 1 1 . . . . . . . . . 11 . HA parsed_6u7x 1
17 1 2 . . . . . . . . . 12 . HN parsed_6u7x 1
18 1 1 . . . . . . . . . 12 . HA parsed_6u7x 1
18 1 2 . . . . . . . . . 13 . HD2 parsed_6u7x 1
19 1 1 . . . . . . . . . 12 . HA parsed_6u7x 1
19 1 2 . . . . . . . . . 13 . HD1 parsed_6u7x 1
20 1 1 . . . . . . . . . 1 . HN parsed_6u7x 1
20 1 2 . . . . . . . . . 14 . HA parsed_6u7x 1
21 1 1 . . . . . . . . . 4 . HN parsed_6u7x 1
21 1 2 . . . . . . . . . 11 . HA parsed_6u7x 1
22 1 1 . . . . . . . . . 3 . HA parsed_6u7x 1
22 1 2 . . . . . . . . . 12 . HN parsed_6u7x 1
23 1 1 . . . . . . . . . 4 . HA parsed_6u7x 1
23 1 2 . . . . . . . . . 5 . HN parsed_6u7x 1
24 1 1 . . . . . . . . . 4 . HN parsed_6u7x 1
24 1 2 . . . . . . . . . 4 . HB2 parsed_6u7x 1
25 1 1 . . . . . . . . . 12 . HA parsed_6u7x 1
25 1 2 . . . . . . . . . 12 . HD# parsed_6u7x 1
26 1 1 . . . . . . . . . 11 . HD parsed_6u7x 1
26 1 2 . . . . . . . . . 10 . HA parsed_6u7x 1
27 1 1 . . . . . . . . . 2 . HB2 parsed_6u7x 1
27 1 2 . . . . . . . . . 12 . HD# parsed_6u7x 1
28 1 1 . . . . . . . . . 12 . HB1 parsed_6u7x 1
28 1 2 . . . . . . . . . 14 . HN parsed_6u7x 1
29 1 1 . . . . . . . . . 12 . HB2 parsed_6u7x 1
29 1 2 . . . . . . . . . 14 . HN parsed_6u7x 1
30 1 1 . . . . . . . . . 2 . HN parsed_6u7x 1
30 1 2 . . . . . . . . . 12 . HB2 parsed_6u7x 1
31 1 1 . . . . . . . . . 9 . HB1 parsed_6u7x 1
31 1 2 . . . . . . . . . 10 . HN parsed_6u7x 1
32 1 1 . . . . . . . . . 9 . HB2 parsed_6u7x 1
32 1 2 . . . . . . . . . 10 . HN parsed_6u7x 1
33 1 1 . . . . . . . . . 1 . HN parsed_6u7x 1
33 1 2 . . . . . . . . . 2 . HN parsed_6u7x 1
34 1 1 . . . . . . . . . 1 . HN parsed_6u7x 1
34 1 2 . . . . . . . . . 14 . HN parsed_6u7x 1
35 1 1 . . . . . . . . . 2 . HN parsed_6u7x 1
35 1 2 . . . . . . . . . 12 . HN parsed_6u7x 1
36 1 1 . . . . . . . . . 4 . HN parsed_6u7x 1
36 1 2 . . . . . . . . . 10 . HN parsed_6u7x 1
37 1 1 . . . . . . . . . 11 . HD parsed_6u7x 1
37 1 2 . . . . . . . . . 11 . HN parsed_6u7x 1
38 1 1 . . . . . . . . . 5 . HN parsed_6u7x 1
38 1 2 . . . . . . . . . 6 . HN parsed_6u7x 1
39 1 1 . . . . . . . . . 4 . HN parsed_6u7x 1
39 1 2 . . . . . . . . . 4 . HD# parsed_6u7x 1
40 1 1 . . . . . . . . . 12 . HN parsed_6u7x 1
40 1 2 . . . . . . . . . 12 . HD# parsed_6u7x 1
41 1 1 . . . . . . . . . 1 . HN parsed_6u7x 1
41 1 2 . . . . . . . . . 12 . HB2 parsed_6u7x 1
42 1 1 . . . . . . . . . 10 . HB parsed_6u7x 1
42 1 2 . . . . . . . . . 11 . HN parsed_6u7x 1
43 1 1 . . . . . . . . . 10 . HG2# parsed_6u7x 1
43 1 2 . . . . . . . . . 11 . HN parsed_6u7x 1
44 1 1 . . . . . . . . . 4 . HD# parsed_6u7x 1
44 1 2 . . . . . . . . . 10 . HG2# parsed_6u7x 1
45 1 1 . . . . . . . . . 2 . HB1 parsed_6u7x 1
45 1 2 . . . . . . . . . 12 . HD# parsed_6u7x 1
46 1 1 . . . . . . . . . 3 . HA parsed_6u7x 1
46 1 2 . . . . . . . . . 11 . HA parsed_6u7x 1
47 1 1 . . . . . . . . . 7 . HN parsed_6u7x 1
47 1 2 . . . . . . . . . 7 . HB2 parsed_6u7x 1
48 1 1 . . . . . . . . . 7 . HN parsed_6u7x 1
48 1 2 . . . . . . . . . 7 . HB1 parsed_6u7x 1
49 1 1 . . . . . . . . . 10 . HN parsed_6u7x 1
49 1 2 . . . . . . . . . 10 . HG2# parsed_6u7x 1
50 1 1 . . . . . . . . . 1 . HN parsed_6u7x 1
50 1 2 . . . . . . . . . 12 . HN parsed_6u7x 1
51 1 1 . . . . . . . . . 6 . HN parsed_6u7x 1
51 1 2 . . . . . . . . . 7 . HN parsed_6u7x 1
52 1 1 . . . . . . . . . 10 . HA parsed_6u7x 1
52 1 2 . . . . . . . . . 10 . HG2# parsed_6u7x 1
53 1 1 . . . . . . . . . 10 . HA parsed_6u7x 1
53 1 2 . . . . . . . . . 10 . HD1# parsed_6u7x 1
54 1 1 . . . . . . . . . 10 . HB parsed_6u7x 1
54 1 2 . . . . . . . . . 10 . HD1# parsed_6u7x 1
55 1 1 . . . . . . . . . 10 . HG2# parsed_6u7x 1
55 1 2 . . . . . . . . . 12 . HE# parsed_6u7x 1
56 1 1 . . . . . . . . . 7 . HA parsed_6u7x 1
56 1 2 . . . . . . . . . 9 . HD1 parsed_6u7x 1
57 1 1 . . . . . . . . . 7 . HA parsed_6u7x 1
57 1 2 . . . . . . . . . 9 . HD2 parsed_6u7x 1
58 1 1 . . . . . . . . . 2 . HN parsed_6u7x 1
58 1 2 . . . . . . . . . 2 . HB# parsed_6u7x 1
59 1 1 . . . . . . . . . 2 . HN parsed_6u7x 1
59 1 2 . . . . . . . . . 2 . HG# parsed_6u7x 1
60 1 1 . . . . . . . . . 2 . HA parsed_6u7x 1
60 1 2 . . . . . . . . . 2 . HG# parsed_6u7x 1
61 1 1 . . . . . . . . . 2 . HB# parsed_6u7x 1
61 1 2 . . . . . . . . . 2 . HE parsed_6u7x 1
62 1 1 . . . . . . . . . 2 . HB# parsed_6u7x 1
62 1 2 . . . . . . . . . 3 . HN parsed_6u7x 1
63 1 1 . . . . . . . . . 2 . HB# parsed_6u7x 1
63 1 2 . . . . . . . . . 12 . HD# parsed_6u7x 1
64 1 1 . . . . . . . . . 3 . HN parsed_6u7x 1
64 1 2 . . . . . . . . . 3 . HB# parsed_6u7x 1
65 1 1 . . . . . . . . . 3 . HN parsed_6u7x 1
65 1 2 . . . . . . . . . 3 . HG# parsed_6u7x 1
66 1 1 . . . . . . . . . 3 . HB# parsed_6u7x 1
66 1 2 . . . . . . . . . 4 . HN parsed_6u7x 1
67 1 1 . . . . . . . . . 3 . HG# parsed_6u7x 1
67 1 2 . . . . . . . . . 11 . HA parsed_6u7x 1
68 1 1 . . . . . . . . . 3 . HG# parsed_6u7x 1
68 1 2 . . . . . . . . . 11 . HB# parsed_6u7x 1
69 1 1 . . . . . . . . . 3 . HG# parsed_6u7x 1
69 1 2 . . . . . . . . . 12 . HN parsed_6u7x 1
70 1 1 . . . . . . . . . 11 . HD parsed_6u7x 1
70 1 2 . . . . . . . . . 11 . HB# parsed_6u7x 1
71 1 1 . . . . . . . . . 4 . HN parsed_6u7x 1
71 1 2 . . . . . . . . . 4 . HB# parsed_6u7x 1
72 1 1 . . . . . . . . . 4 . HB# parsed_6u7x 1
72 1 2 . . . . . . . . . 6 . HN parsed_6u7x 1
73 1 1 . . . . . . . . . 4 . HB# parsed_6u7x 1
73 1 2 . . . . . . . . . 10 . HN parsed_6u7x 1
74 1 1 . . . . . . . . . 4 . HB# parsed_6u7x 1
74 1 2 . . . . . . . . . 10 . HB parsed_6u7x 1
75 1 1 . . . . . . . . . 4 . HB# parsed_6u7x 1
75 1 2 . . . . . . . . . 10 . HG2# parsed_6u7x 1
76 1 1 . . . . . . . . . 5 . HN parsed_6u7x 1
76 1 2 . . . . . . . . . 5 . HB# parsed_6u7x 1
77 1 1 . . . . . . . . . 5 . HN parsed_6u7x 1
77 1 2 . . . . . . . . . 5 . HD# parsed_6u7x 1
78 1 1 . . . . . . . . . 5 . HN parsed_6u7x 1
78 1 2 . . . . . . . . . 5 . HE# parsed_6u7x 1
79 1 1 . . . . . . . . . 5 . HG# parsed_6u7x 1
79 1 2 . . . . . . . . . 5 . HZ# parsed_6u7x 1
80 1 1 . . . . . . . . . 6 . HB# parsed_6u7x 1
80 1 2 . . . . . . . . . 7 . HN parsed_6u7x 1
81 1 1 . . . . . . . . . 7 . HN parsed_6u7x 1
81 1 2 . . . . . . . . . 7 . HB# parsed_6u7x 1
82 1 1 . . . . . . . . . 7 . HA parsed_6u7x 1
82 1 2 . . . . . . . . . 7 . HE# parsed_6u7x 1
83 1 1 . . . . . . . . . 7 . HA parsed_6u7x 1
83 1 2 . . . . . . . . . 8 . HD# parsed_6u7x 1
84 1 1 . . . . . . . . . 7 . HA parsed_6u7x 1
84 1 2 . . . . . . . . . 9 . HD# parsed_6u7x 1
85 1 1 . . . . . . . . . 8 . HA parsed_6u7x 1
85 1 2 . . . . . . . . . 9 . HD# parsed_6u7x 1
86 1 1 . . . . . . . . . 8 . HB# parsed_6u7x 1
86 1 2 . . . . . . . . . 9 . HD# parsed_6u7x 1
87 1 1 . . . . . . . . . 10 . HN parsed_6u7x 1
87 1 2 . . . . . . . . . 10 . HG1# parsed_6u7x 1
88 1 1 . . . . . . . . . 11 . HN parsed_6u7x 1
88 1 2 . . . . . . . . . 11 . HB# parsed_6u7x 1
89 1 1 . . . . . . . . . 11 . HB# parsed_6u7x 1
89 1 2 . . . . . . . . . 12 . HN parsed_6u7x 1
90 1 1 . . . . . . . . . 12 . HA parsed_6u7x 1
90 1 2 . . . . . . . . . 13 . HD# parsed_6u7x 1
91 1 1 . . . . . . . . . 12 . HB2 parsed_6u7x 1
91 1 2 . . . . . . . . . 13 . HD# parsed_6u7x 1
92 1 1 . . . . . . . . . 12 . HB1 parsed_6u7x 1
92 1 2 . . . . . . . . . 13 . HD# parsed_6u7x 1
93 1 1 . . . . . . . . . 12 . HD# parsed_6u7x 1
93 1 2 . . . . . . . . . 13 . HD# parsed_6u7x 1
94 1 1 . . . . . . . . . 13 . HB# parsed_6u7x 1
94 1 2 . . . . . . . . . 14 . HN parsed_6u7x 1
95 1 1 . . . . . . . . . 13 . HD# parsed_6u7x 1
95 1 2 . . . . . . . . . 14 . HN parsed_6u7x 1
96 1 1 . . . . . . . . . 14 . HN parsed_6u7x 1
96 1 2 . . . . . . . . . 14 . HB# parsed_6u7x 1
97 1 1 . . . . . . . . . 11 . HD parsed_6u7x 1
97 1 2 . . . . . . . . . 9 . HB# parsed_6u7x 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 . . . . . 2.900 1.800 4.000 parsed_6u7x 1
2 1 . . . . . 3.650 1.800 5.500 parsed_6u7x 1
3 1 . . . . . 3.650 1.800 5.500 parsed_6u7x 1
4 1 . . . . . 2.900 1.800 4.000 parsed_6u7x 1
5 1 . . . . . 3.170 1.800 4.540 parsed_6u7x 1
6 1 . . . . . 3.170 1.800 4.540 parsed_6u7x 1
7 1 . . . . . 2.215 1.800 2.630 parsed_6u7x 1
8 1 . . . . . 2.990 1.800 4.180 parsed_6u7x 1
9 1 . . . . . 2.375 1.800 2.950 parsed_6u7x 1
10 1 . . . . . 2.615 1.800 3.430 parsed_6u7x 1
11 1 . . . . . 2.600 1.800 3.400 parsed_6u7x 1
12 1 . . . . . 2.600 1.800 3.400 parsed_6u7x 1
13 1 . . . . . 2.355 1.800 2.910 parsed_6u7x 1
14 1 . . . . . 2.915 1.800 4.030 parsed_6u7x 1
15 1 . . . . . 2.260 1.800 2.720 parsed_6u7x 1
16 1 . . . . . 2.590 1.800 3.380 parsed_6u7x 1
17 1 . . . . . 2.390 1.800 2.980 parsed_6u7x 1
18 1 . . . . . 2.700 1.800 3.600 parsed_6u7x 1
19 1 . . . . . 2.700 1.800 3.600 parsed_6u7x 1
20 1 . . . . . 3.010 1.800 4.220 parsed_6u7x 1
21 1 . . . . . 3.110 1.800 4.420 parsed_6u7x 1
22 1 . . . . . 3.200 1.800 4.600 parsed_6u7x 1
23 1 . . . . . 2.650 1.800 3.500 parsed_6u7x 1
24 1 . . . . . 2.990 1.800 4.180 parsed_6u7x 1
25 1 . . . . . 3.235 1.800 4.670 parsed_6u7x 1
26 1 . . . . . 3.240 1.800 4.680 parsed_6u7x 1
27 1 . . . . . 3.350 1.800 4.900 parsed_6u7x 1
28 1 . . . . . 2.905 1.800 4.010 parsed_6u7x 1
29 1 . . . . . 3.030 1.800 4.260 parsed_6u7x 1
30 1 . . . . . 3.010 1.800 4.220 parsed_6u7x 1
31 1 . . . . . 3.215 1.800 4.630 parsed_6u7x 1
32 1 . . . . . 3.215 1.800 4.630 parsed_6u7x 1
33 1 . . . . . 2.780 1.800 3.760 parsed_6u7x 1
34 1 . . . . . 2.715 1.800 3.630 parsed_6u7x 1
35 1 . . . . . 3.125 1.800 4.450 parsed_6u7x 1
36 1 . . . . . 3.005 1.800 4.210 parsed_6u7x 1
37 1 . . . . . 2.900 1.800 4.000 parsed_6u7x 1
38 1 . . . . . 2.995 1.800 4.190 parsed_6u7x 1
39 1 . . . . . 3.025 1.800 4.250 parsed_6u7x 1
40 1 . . . . . 3.035 1.800 4.270 parsed_6u7x 1
41 1 . . . . . 3.400 1.800 5.000 parsed_6u7x 1
42 1 . . . . . 3.335 1.800 4.870 parsed_6u7x 1
43 1 . . . . . 3.225 1.800 4.650 parsed_6u7x 1
44 1 . . . . . 3.315 1.800 4.830 parsed_6u7x 1
45 1 . . . . . 3.350 1.800 4.900 parsed_6u7x 1
46 1 . . . . . 2.865 1.800 3.930 parsed_6u7x 1
47 1 . . . . . 2.985 1.800 4.170 parsed_6u7x 1
48 1 . . . . . 2.985 1.800 4.170 parsed_6u7x 1
49 1 . . . . . 3.185 1.800 4.570 parsed_6u7x 1
50 1 . . . . . 3.650 1.800 5.500 parsed_6u7x 1
51 1 . . . . . 3.280 1.800 4.760 parsed_6u7x 1
52 1 . . . . . 2.920 1.800 4.040 parsed_6u7x 1
53 1 . . . . . 3.050 1.800 4.300 parsed_6u7x 1
54 1 . . . . . 2.935 1.800 4.070 parsed_6u7x 1
55 1 . . . . . 3.020 1.800 4.240 parsed_6u7x 1
56 1 . . . . . 3.175 1.800 4.550 parsed_6u7x 1
57 1 . . . . . 3.175 1.800 4.550 parsed_6u7x 1
58 1 . . . . . 2.540 1.800 3.280 parsed_6u7x 1
59 1 . . . . . 3.265 1.800 4.730 parsed_6u7x 1
60 1 . . . . . 2.755 1.800 3.710 parsed_6u7x 1
61 1 . . . . . 2.885 1.800 3.970 parsed_6u7x 1
62 1 . . . . . 3.100 1.800 4.400 parsed_6u7x 1
63 1 . . . . . 2.965 1.800 4.130 parsed_6u7x 1
64 1 . . . . . 2.640 1.800 3.480 parsed_6u7x 1
65 1 . . . . . 2.915 1.800 4.030 parsed_6u7x 1
66 1 . . . . . 2.860 1.800 3.920 parsed_6u7x 1
67 1 . . . . . 3.180 1.800 4.560 parsed_6u7x 1
68 1 . . . . . 3.110 1.800 4.420 parsed_6u7x 1
69 1 . . . . . 3.285 1.800 4.770 parsed_6u7x 1
70 1 . . . . . 2.580 1.800 3.360 parsed_6u7x 1
71 1 . . . . . 2.635 1.800 3.470 parsed_6u7x 1
72 1 . . . . . 3.340 1.800 4.880 parsed_6u7x 1
73 1 . . . . . 3.140 1.800 4.480 parsed_6u7x 1
74 1 . . . . . 3.265 1.800 4.730 parsed_6u7x 1
75 1 . . . . . 3.005 1.800 4.210 parsed_6u7x 1
76 1 . . . . . 2.690 1.800 3.580 parsed_6u7x 1
77 1 . . . . . 3.095 1.800 4.390 parsed_6u7x 1
78 1 . . . . . 3.145 1.800 4.490 parsed_6u7x 1
79 1 . . . . . 3.570 1.800 5.340 parsed_6u7x 1
80 1 . . . . . 2.485 1.800 3.170 parsed_6u7x 1
81 1 . . . . . 2.680 1.800 3.560 parsed_6u7x 1
82 1 . . . . . 3.185 1.800 4.570 parsed_6u7x 1
83 1 . . . . . 3.055 1.800 4.310 parsed_6u7x 1
84 1 . . . . . 2.830 1.800 3.860 parsed_6u7x 1
85 1 . . . . . 2.370 1.800 2.940 parsed_6u7x 1
86 1 . . . . . 2.705 1.800 3.610 parsed_6u7x 1
87 1 . . . . . 3.145 1.800 4.490 parsed_6u7x 1
88 1 . . . . . 2.695 1.800 3.590 parsed_6u7x 1
89 1 . . . . . 2.770 1.800 3.740 parsed_6u7x 1
90 1 . . . . . 2.420 1.800 3.040 parsed_6u7x 1
91 1 . . . . . 3.350 1.800 4.900 parsed_6u7x 1
92 1 . . . . . 2.650 1.800 3.500 parsed_6u7x 1
93 1 . . . . . 3.075 1.800 4.350 parsed_6u7x 1
94 1 . . . . . 2.950 1.800 4.100 parsed_6u7x 1
95 1 . . . . . 3.015 1.800 4.230 parsed_6u7x 1
96 1 . . . . . 2.650 1.800 3.500 parsed_6u7x 1
97 1 . . . . . 3.275 1.800 4.750 parsed_6u7x 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_6u7x 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_6u7x 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6u7x
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.6 -108.6 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6u7x 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.6 175.6 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6u7x 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.4 -87.8 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6u7x 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.2 155.2 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6u7x 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.7 -37.5 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6u7x 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.4 169.8 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6u7x 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.0 -40.8 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6u7x 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.2 168.8 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6u7x 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.9 170.5 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6u7x 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.9 142.1 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6u7x 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.3 -86.3 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6u7x 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.3 162.5 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6u7x 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.4 -35.4 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6u7x 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.8 153.8 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6u7x 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.8 -79.8 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6u7x 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67.0 131.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6u7x 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.4 -65.4 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6u7x 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . CG parsed_6u7x 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_6u7x 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6u7x
_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_6u7x 2
2 1 . . . parsed_6u7x 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 . . . . . . . . . 12 . HN parsed_6u7x 2
1 1 2 . . . . . . . . . 2 . O parsed_6u7x 2
2 1 1 . . . . . . . . . 12 . N parsed_6u7x 2
2 1 2 . . . . . . . . . 2 . O parsed_6u7x 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_6u7x 2
2 1 . . . . . 0 0 3 parsed_6u7x 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 HBonds 1 1 1 8 parsed_6u7x 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 8:56:59 PM GMT (wattos1)