NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
558251 |
2m2x   |
18937 | cing | 2-parsed | STAR | entry | full | 125 |
data_2m2x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m2x
_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_2m2x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m2x
_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 2m2x "Master copy" parsed_2m2x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m2x
_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 2m2x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m2x 1
1 2m2x.mr . . XPLOR/CNS 2 distance NOE simple 100 parsed_2m2x 1
1 2m2x.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 25 parsed_2m2x 1
1 2m2x.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m2x 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_2m2x
_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 ANTIMICROBIAL PROTEIN 03-JAN-13 2M2X
*TITLE SOLUTION STRUCTURE OF THE ANTIMICROBIAL PEPTIDE [ABA3,5,7,12,14,
*TITLE 2 16]BTD-2
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: [ABA3,5,7,12,14,16]BTD-2;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS
*KEYWDS THETA-DEFENSIN, CYCLIC PEPTIDES, CYCLIC CYSTINE LADDER, DISULFIDE
*KEYWDS 2 BOND, ANTIMICROBIAL PEPTIDE, ANTIMICROBIAL PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR A.C.CONIBEAR, K.ROSENGREN, N.L.DALY, S.TROIERA HENRIQUES, D.J.CRAIK
*REVDAT 1 27-FEB-13 2M2X 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2m2x
_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_2m2x 1
2 1 . . . parsed_2m2x 1
3 1 . . . parsed_2m2x 1
4 1 . . . parsed_2m2x 1
5 1 . . . parsed_2m2x 1
6 1 . . . parsed_2m2x 1
7 1 . . . parsed_2m2x 1
8 1 . . . parsed_2m2x 1
9 1 . . . parsed_2m2x 1
10 1 . . . parsed_2m2x 1
11 1 . . . parsed_2m2x 1
12 1 . . . parsed_2m2x 1
13 1 . . . parsed_2m2x 1
14 1 . . . parsed_2m2x 1
15 1 . . . parsed_2m2x 1
16 1 . . . parsed_2m2x 1
17 1 . . . parsed_2m2x 1
18 1 . . . parsed_2m2x 1
19 1 . . . parsed_2m2x 1
20 1 . . . parsed_2m2x 1
21 1 . . . parsed_2m2x 1
22 1 . . . parsed_2m2x 1
23 1 . . . parsed_2m2x 1
24 1 . . . parsed_2m2x 1
25 1 . . . parsed_2m2x 1
26 1 . . . parsed_2m2x 1
27 1 . . . parsed_2m2x 1
28 1 . . . parsed_2m2x 1
29 1 . . . parsed_2m2x 1
30 1 . . . parsed_2m2x 1
31 1 . . . parsed_2m2x 1
32 1 . . . parsed_2m2x 1
33 1 . . . parsed_2m2x 1
34 1 . . . parsed_2m2x 1
35 1 . . . parsed_2m2x 1
36 1 . . . parsed_2m2x 1
37 1 . . . parsed_2m2x 1
38 1 . . . parsed_2m2x 1
39 1 . . . parsed_2m2x 1
40 1 . . . parsed_2m2x 1
41 1 . . . parsed_2m2x 1
42 1 . . . parsed_2m2x 1
43 1 . . . parsed_2m2x 1
44 1 . . . parsed_2m2x 1
45 1 . . . parsed_2m2x 1
46 1 . . . parsed_2m2x 1
47 1 . . . parsed_2m2x 1
48 1 . . . parsed_2m2x 1
49 1 . . . parsed_2m2x 1
50 1 . . . parsed_2m2x 1
51 1 . . . parsed_2m2x 1
52 1 . . . parsed_2m2x 1
53 1 . . . parsed_2m2x 1
54 1 . . . parsed_2m2x 1
55 1 . . . parsed_2m2x 1
56 1 . . . parsed_2m2x 1
57 1 . . . parsed_2m2x 1
58 1 . . . parsed_2m2x 1
59 1 . . . parsed_2m2x 1
60 1 . . . parsed_2m2x 1
61 1 . . . parsed_2m2x 1
62 1 . . . parsed_2m2x 1
63 1 . . . parsed_2m2x 1
64 1 . . . parsed_2m2x 1
65 1 . . . parsed_2m2x 1
66 1 . . . parsed_2m2x 1
67 1 . . . parsed_2m2x 1
68 1 . . . parsed_2m2x 1
69 1 . . . parsed_2m2x 1
70 1 . . . parsed_2m2x 1
71 1 . . . parsed_2m2x 1
72 1 . . . parsed_2m2x 1
73 1 . . . parsed_2m2x 1
74 1 . . . parsed_2m2x 1
75 1 . . . parsed_2m2x 1
76 1 . . . parsed_2m2x 1
77 1 . . . parsed_2m2x 1
78 1 . . . parsed_2m2x 1
79 1 . . . parsed_2m2x 1
80 1 . . . parsed_2m2x 1
81 1 . . . parsed_2m2x 1
82 1 . . . parsed_2m2x 1
83 1 . . . parsed_2m2x 1
84 1 . . . parsed_2m2x 1
85 1 . . . parsed_2m2x 1
86 1 . . . parsed_2m2x 1
87 1 . . . parsed_2m2x 1
88 1 . . . parsed_2m2x 1
89 1 . . . parsed_2m2x 1
90 1 . . . parsed_2m2x 1
91 1 . . . parsed_2m2x 1
92 1 . . . parsed_2m2x 1
93 1 . . . parsed_2m2x 1
94 1 . . . parsed_2m2x 1
95 1 . . . parsed_2m2x 1
96 1 . . . parsed_2m2x 1
97 1 . . . parsed_2m2x 1
98 1 . . . parsed_2m2x 1
99 1 . . . parsed_2m2x 1
100 1 . . . parsed_2m2x 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 . . . . . . . . . 9 . HN parsed_2m2x 1
1 1 2 . . . . . . . . . 9 . HB1 parsed_2m2x 1
2 1 1 . . . . . . . . . 9 . HN parsed_2m2x 1
2 1 2 . . . . . . . . . 9 . HB2 parsed_2m2x 1
3 1 1 . . . . . . . . . 11 . HN parsed_2m2x 1
3 1 2 . . . . . . . . . 11 . HB parsed_2m2x 1
4 1 1 . . . . . . . . . 6 . HN parsed_2m2x 1
4 1 2 . . . . . . . . . 6 . HB parsed_2m2x 1
5 1 1 . . . . . . . . . 8 . HN parsed_2m2x 1
5 1 2 . . . . . . . . . 8 . HA parsed_2m2x 1
6 1 1 . . . . . . . . . 7 . HN parsed_2m2x 1
6 1 2 . . . . . . . . . 7 . HB2 parsed_2m2x 1
7 1 1 . . . . . . . . . 7 . HN parsed_2m2x 1
7 1 2 . . . . . . . . . 7 . HB1 parsed_2m2x 1
8 1 1 . . . . . . . . . 13 . HN parsed_2m2x 1
8 1 2 . . . . . . . . . 13 . HB2 parsed_2m2x 1
9 1 1 . . . . . . . . . 13 . HN parsed_2m2x 1
9 1 2 . . . . . . . . . 13 . HB1 parsed_2m2x 1
10 1 1 . . . . . . . . . 8 . HN parsed_2m2x 1
10 1 2 . . . . . . . . . 8 . HB1 parsed_2m2x 1
11 1 1 . . . . . . . . . 8 . HN parsed_2m2x 1
11 1 2 . . . . . . . . . 8 . HB2 parsed_2m2x 1
12 1 1 . . . . . . . . . 12 . HN parsed_2m2x 1
12 1 2 . . . . . . . . . 12 . HA parsed_2m2x 1
13 1 1 . . . . . . . . . 10 . HN parsed_2m2x 1
13 1 2 . . . . . . . . . 11 . HN parsed_2m2x 1
14 1 1 . . . . . . . . . 9 . HA parsed_2m2x 1
14 1 2 . . . . . . . . . 10 . HN parsed_2m2x 1
15 1 1 . . . . . . . . . 11 . HA parsed_2m2x 1
15 1 2 . . . . . . . . . 12 . HN parsed_2m2x 1
16 1 1 . . . . . . . . . 11 . HB parsed_2m2x 1
16 1 2 . . . . . . . . . 12 . HN parsed_2m2x 1
17 1 1 . . . . . . . . . 11 . HN parsed_2m2x 1
17 1 2 . . . . . . . . . 12 . HN parsed_2m2x 1
18 1 1 . . . . . . . . . 8 . HN parsed_2m2x 1
18 1 2 . . . . . . . . . 12 . HA parsed_2m2x 1
19 1 1 . . . . . . . . . 12 . HA parsed_2m2x 1
19 1 2 . . . . . . . . . 13 . HN parsed_2m2x 1
20 1 1 . . . . . . . . . 14 . HN parsed_2m2x 1
20 1 2 . . . . . . . . . 13 . HA parsed_2m2x 1
21 1 1 . . . . . . . . . 5 . HA parsed_2m2x 1
21 1 2 . . . . . . . . . 6 . HN parsed_2m2x 1
22 1 1 . . . . . . . . . 6 . HA parsed_2m2x 1
22 1 2 . . . . . . . . . 7 . HN parsed_2m2x 1
23 1 1 . . . . . . . . . 6 . HB parsed_2m2x 1
23 1 2 . . . . . . . . . 7 . HN parsed_2m2x 1
24 1 1 . . . . . . . . . 7 . HA parsed_2m2x 1
24 1 2 . . . . . . . . . 8 . HN parsed_2m2x 1
25 1 1 . . . . . . . . . 8 . HN parsed_2m2x 1
25 1 2 . . . . . . . . . 11 . HN parsed_2m2x 1
26 1 1 . . . . . . . . . 8 . HN parsed_2m2x 1
26 1 2 . . . . . . . . . 9 . HN parsed_2m2x 1
27 1 1 . . . . . . . . . 8 . HA parsed_2m2x 1
27 1 2 . . . . . . . . . 9 . HN parsed_2m2x 1
28 1 1 . . . . . . . . . 9 . HN parsed_2m2x 1
28 1 2 . . . . . . . . . 9 . HD# parsed_2m2x 1
29 1 1 . . . . . . . . . 9 . HN parsed_2m2x 1
29 1 2 . . . . . . . . . 9 . HG# parsed_2m2x 1
30 1 1 . . . . . . . . . 8 . HN parsed_2m2x 1
30 1 2 . . . . . . . . . 8 . HD# parsed_2m2x 1
31 1 1 . . . . . . . . . 13 . HN parsed_2m2x 1
31 1 2 . . . . . . . . . 13 . HD# parsed_2m2x 1
32 1 1 . . . . . . . . . 13 . HN parsed_2m2x 1
32 1 2 . . . . . . . . . 13 . HG# parsed_2m2x 1
33 1 1 . . . . . . . . . 8 . HN parsed_2m2x 1
33 1 2 . . . . . . . . . 8 . HG2 parsed_2m2x 1
34 1 1 . . . . . . . . . 8 . HN parsed_2m2x 1
34 1 2 . . . . . . . . . 8 . HG1 parsed_2m2x 1
35 1 1 . . . . . . . . . 9 . HA parsed_2m2x 1
35 1 2 . . . . . . . . . 9 . HE parsed_2m2x 1
36 1 1 . . . . . . . . . 8 . HA parsed_2m2x 1
36 1 2 . . . . . . . . . 8 . HE parsed_2m2x 1
37 1 1 . . . . . . . . . 13 . HA parsed_2m2x 1
37 1 2 . . . . . . . . . 13 . HE parsed_2m2x 1
38 1 1 . . . . . . . . . 6 . HN parsed_2m2x 1
38 1 2 . . . . . . . . . 12 . HB# parsed_2m2x 1
39 1 1 . . . . . . . . . 11 . HN parsed_2m2x 1
39 1 2 . . . . . . . . . 11 . HG* parsed_2m2x 1
40 1 1 . . . . . . . . . 6 . HN parsed_2m2x 1
40 1 2 . . . . . . . . . 6 . HG* parsed_2m2x 1
41 1 1 . . . . . . . . . 7 . HN parsed_2m2x 1
41 1 2 . . . . . . . . . 7 . HG# parsed_2m2x 1
42 1 1 . . . . . . . . . 5 . HN parsed_2m2x 1
42 1 2 . . . . . . . . . 5 . HG# parsed_2m2x 1
43 1 1 . . . . . . . . . 12 . HN parsed_2m2x 1
43 1 2 . . . . . . . . . 12 . HG# parsed_2m2x 1
44 1 1 . . . . . . . . . 7 . HN parsed_2m2x 1
44 1 2 . . . . . . . . . 12 . HG# parsed_2m2x 1
45 1 1 . . . . . . . . . 6 . HG* parsed_2m2x 1
45 1 2 . . . . . . . . . 8 . HN parsed_2m2x 1
46 1 1 . . . . . . . . . 5 . HN parsed_2m2x 1
46 1 2 . . . . . . . . . 13 . HB# parsed_2m2x 1
47 1 1 . . . . . . . . . 8 . HB2 parsed_2m2x 1
47 1 2 . . . . . . . . . 8 . HG# parsed_2m2x 1
48 1 1 . . . . . . . . . 8 . HB1 parsed_2m2x 1
48 1 2 . . . . . . . . . 8 . HG# parsed_2m2x 1
49 1 1 . . . . . . . . . 10 . HA# parsed_2m2x 1
49 1 2 . . . . . . . . . 11 . HN parsed_2m2x 1
50 1 1 . . . . . . . . . 13 . HN parsed_2m2x 1
50 1 2 . . . . . . . . . 13 . HB# parsed_2m2x 1
51 1 1 . . . . . . . . . 18 . HN parsed_2m2x 1
51 1 2 . . . . . . . . . 18 . HB1 parsed_2m2x 1
52 1 1 . . . . . . . . . 18 . HN parsed_2m2x 1
52 1 2 . . . . . . . . . 18 . HB2 parsed_2m2x 1
53 1 1 . . . . . . . . . 2 . HN parsed_2m2x 1
53 1 2 . . . . . . . . . 2 . HB parsed_2m2x 1
54 1 1 . . . . . . . . . 15 . HN parsed_2m2x 1
54 1 2 . . . . . . . . . 15 . HB parsed_2m2x 1
55 1 1 . . . . . . . . . 17 . HN parsed_2m2x 1
55 1 2 . . . . . . . . . 17 . HA parsed_2m2x 1
56 1 1 . . . . . . . . . 16 . HN parsed_2m2x 1
56 1 2 . . . . . . . . . 16 . HB2 parsed_2m2x 1
57 1 1 . . . . . . . . . 16 . HN parsed_2m2x 1
57 1 2 . . . . . . . . . 16 . HB1 parsed_2m2x 1
58 1 1 . . . . . . . . . 4 . HN parsed_2m2x 1
58 1 2 . . . . . . . . . 4 . HB2 parsed_2m2x 1
59 1 1 . . . . . . . . . 4 . HN parsed_2m2x 1
59 1 2 . . . . . . . . . 4 . HB1 parsed_2m2x 1
60 1 1 . . . . . . . . . 17 . HN parsed_2m2x 1
60 1 2 . . . . . . . . . 17 . HB1 parsed_2m2x 1
61 1 1 . . . . . . . . . 17 . HN parsed_2m2x 1
61 1 2 . . . . . . . . . 17 . HB2 parsed_2m2x 1
62 1 1 . . . . . . . . . 3 . HN parsed_2m2x 1
62 1 2 . . . . . . . . . 3 . HA parsed_2m2x 1
63 1 1 . . . . . . . . . 1 . HN parsed_2m2x 1
63 1 2 . . . . . . . . . 2 . HN parsed_2m2x 1
64 1 1 . . . . . . . . . 18 . HA parsed_2m2x 1
64 1 2 . . . . . . . . . 1 . HN parsed_2m2x 1
65 1 1 . . . . . . . . . 2 . HA parsed_2m2x 1
65 1 2 . . . . . . . . . 3 . HN parsed_2m2x 1
66 1 1 . . . . . . . . . 2 . HB parsed_2m2x 1
66 1 2 . . . . . . . . . 3 . HN parsed_2m2x 1
67 1 1 . . . . . . . . . 2 . HN parsed_2m2x 1
67 1 2 . . . . . . . . . 3 . HN parsed_2m2x 1
68 1 1 . . . . . . . . . 17 . HN parsed_2m2x 1
68 1 2 . . . . . . . . . 3 . HA parsed_2m2x 1
69 1 1 . . . . . . . . . 3 . HA parsed_2m2x 1
69 1 2 . . . . . . . . . 4 . HN parsed_2m2x 1
70 1 1 . . . . . . . . . 5 . HN parsed_2m2x 1
70 1 2 . . . . . . . . . 4 . HA parsed_2m2x 1
71 1 1 . . . . . . . . . 14 . HA parsed_2m2x 1
71 1 2 . . . . . . . . . 15 . HN parsed_2m2x 1
72 1 1 . . . . . . . . . 15 . HA parsed_2m2x 1
72 1 2 . . . . . . . . . 16 . HN parsed_2m2x 1
73 1 1 . . . . . . . . . 15 . HB parsed_2m2x 1
73 1 2 . . . . . . . . . 16 . HN parsed_2m2x 1
74 1 1 . . . . . . . . . 16 . HA parsed_2m2x 1
74 1 2 . . . . . . . . . 17 . HN parsed_2m2x 1
75 1 1 . . . . . . . . . 17 . HN parsed_2m2x 1
75 1 2 . . . . . . . . . 2 . HN parsed_2m2x 1
76 1 1 . . . . . . . . . 17 . HN parsed_2m2x 1
76 1 2 . . . . . . . . . 18 . HN parsed_2m2x 1
77 1 1 . . . . . . . . . 17 . HA parsed_2m2x 1
77 1 2 . . . . . . . . . 18 . HN parsed_2m2x 1
78 1 1 . . . . . . . . . 18 . HN parsed_2m2x 1
78 1 2 . . . . . . . . . 18 . HD# parsed_2m2x 1
79 1 1 . . . . . . . . . 18 . HN parsed_2m2x 1
79 1 2 . . . . . . . . . 18 . HG# parsed_2m2x 1
80 1 1 . . . . . . . . . 17 . HN parsed_2m2x 1
80 1 2 . . . . . . . . . 17 . HD# parsed_2m2x 1
81 1 1 . . . . . . . . . 4 . HN parsed_2m2x 1
81 1 2 . . . . . . . . . 4 . HD# parsed_2m2x 1
82 1 1 . . . . . . . . . 4 . HN parsed_2m2x 1
82 1 2 . . . . . . . . . 4 . HG# parsed_2m2x 1
83 1 1 . . . . . . . . . 17 . HN parsed_2m2x 1
83 1 2 . . . . . . . . . 17 . HG2 parsed_2m2x 1
84 1 1 . . . . . . . . . 17 . HN parsed_2m2x 1
84 1 2 . . . . . . . . . 17 . HG1 parsed_2m2x 1
85 1 1 . . . . . . . . . 18 . HA parsed_2m2x 1
85 1 2 . . . . . . . . . 18 . HE parsed_2m2x 1
86 1 1 . . . . . . . . . 17 . HA parsed_2m2x 1
86 1 2 . . . . . . . . . 17 . HE parsed_2m2x 1
87 1 1 . . . . . . . . . 4 . HA parsed_2m2x 1
87 1 2 . . . . . . . . . 4 . HE parsed_2m2x 1
88 1 1 . . . . . . . . . 15 . HN parsed_2m2x 1
88 1 2 . . . . . . . . . 3 . HB# parsed_2m2x 1
89 1 1 . . . . . . . . . 2 . HN parsed_2m2x 1
89 1 2 . . . . . . . . . 2 . HG* parsed_2m2x 1
90 1 1 . . . . . . . . . 15 . HN parsed_2m2x 1
90 1 2 . . . . . . . . . 15 . HG* parsed_2m2x 1
91 1 1 . . . . . . . . . 12 . HN parsed_2m2x 1
91 1 2 . . . . . . . . . 12 . HG# parsed_2m2x 1
92 1 1 . . . . . . . . . 14 . HN parsed_2m2x 1
92 1 2 . . . . . . . . . 14 . HG# parsed_2m2x 1
93 1 1 . . . . . . . . . 3 . HN parsed_2m2x 1
93 1 2 . . . . . . . . . 3 . HG# parsed_2m2x 1
94 1 1 . . . . . . . . . 16 . HN parsed_2m2x 1
94 1 2 . . . . . . . . . 3 . HG# parsed_2m2x 1
95 1 1 . . . . . . . . . 15 . HG* parsed_2m2x 1
95 1 2 . . . . . . . . . 17 . HN parsed_2m2x 1
96 1 1 . . . . . . . . . 14 . HN parsed_2m2x 1
96 1 2 . . . . . . . . . 4 . HB# parsed_2m2x 1
97 1 1 . . . . . . . . . 17 . HB2 parsed_2m2x 1
97 1 2 . . . . . . . . . 17 . HG# parsed_2m2x 1
98 1 1 . . . . . . . . . 17 . HB1 parsed_2m2x 1
98 1 2 . . . . . . . . . 17 . HG# parsed_2m2x 1
99 1 1 . . . . . . . . . 1 . HA# parsed_2m2x 1
99 1 2 . . . . . . . . . 2 . HN parsed_2m2x 1
100 1 1 . . . . . . . . . 4 . HN parsed_2m2x 1
100 1 2 . . . . . . . . . 4 . HB# parsed_2m2x 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 . . . . . 2.945 1.800 4.090 parsed_2m2x 1
2 1 . . . . . 2.610 1.800 3.420 parsed_2m2x 1
3 1 . . . . . 2.830 1.800 3.860 parsed_2m2x 1
4 1 . . . . . 2.780 1.800 3.760 parsed_2m2x 1
5 1 . . . . . 2.335 1.800 2.870 parsed_2m2x 1
6 1 . . . . . 2.705 1.800 3.610 parsed_2m2x 1
7 1 . . . . . 2.705 1.800 3.610 parsed_2m2x 1
8 1 . . . . . 2.750 1.800 3.700 parsed_2m2x 1
9 1 . . . . . 2.750 1.800 3.700 parsed_2m2x 1
10 1 . . . . . 2.830 1.800 3.860 parsed_2m2x 1
11 1 . . . . . 2.625 1.800 3.450 parsed_2m2x 1
12 1 . . . . . 2.365 1.800 2.930 parsed_2m2x 1
13 1 . . . . . 2.595 1.800 3.390 parsed_2m2x 1
14 1 . . . . . 2.255 1.800 2.710 parsed_2m2x 1
15 1 . . . . . 2.255 1.800 2.710 parsed_2m2x 1
16 1 . . . . . 2.955 1.500 4.410 parsed_2m2x 1
17 1 . . . . . 2.845 1.800 3.890 parsed_2m2x 1
18 1 . . . . . 2.875 1.800 3.950 parsed_2m2x 1
19 1 . . . . . 2.270 1.800 2.740 parsed_2m2x 1
20 1 . . . . . 2.270 1.800 2.740 parsed_2m2x 1
21 1 . . . . . 2.270 1.800 2.740 parsed_2m2x 1
22 1 . . . . . 2.255 1.800 2.710 parsed_2m2x 1
23 1 . . . . . 2.875 1.800 3.950 parsed_2m2x 1
24 1 . . . . . 2.300 1.800 2.800 parsed_2m2x 1
25 1 . . . . . 3.060 1.800 4.320 parsed_2m2x 1
26 1 . . . . . 3.055 1.800 4.310 parsed_2m2x 1
27 1 . . . . . 2.270 1.800 2.740 parsed_2m2x 1
28 1 . . . . . 4.090 1.800 6.380 parsed_2m2x 1
29 1 . . . . . 4.090 1.800 6.380 parsed_2m2x 1
30 1 . . . . . 4.090 1.800 6.380 parsed_2m2x 1
31 1 . . . . . 4.090 1.800 6.380 parsed_2m2x 1
32 1 . . . . . 4.090 1.800 6.380 parsed_2m2x 1
33 1 . . . . . 3.650 1.800 5.500 parsed_2m2x 1
34 1 . . . . . 3.650 1.800 5.500 parsed_2m2x 1
35 1 . . . . . 3.650 1.800 5.500 parsed_2m2x 1
36 1 . . . . . 3.650 1.800 5.500 parsed_2m2x 1
37 1 . . . . . 3.650 1.800 5.500 parsed_2m2x 1
38 1 . . . . . 4.090 1.800 6.380 parsed_2m2x 1
39 1 . . . . . 4.590 1.800 7.380 parsed_2m2x 1
40 1 . . . . . 4.560 1.800 7.320 parsed_2m2x 1
41 1 . . . . . 4.160 1.800 6.520 parsed_2m2x 1
42 1 . . . . . 4.050 1.800 6.300 parsed_2m2x 1
43 1 . . . . . 3.460 1.800 5.120 parsed_2m2x 1
44 1 . . . . . 3.680 1.800 5.560 parsed_2m2x 1
45 1 . . . . . 4.700 1.800 7.600 parsed_2m2x 1
46 1 . . . . . 3.370 1.800 4.940 parsed_2m2x 1
47 1 . . . . . 2.065 1.800 2.330 parsed_2m2x 1
48 1 . . . . . 2.120 1.800 2.440 parsed_2m2x 1
49 1 . . . . . 2.440 1.800 3.080 parsed_2m2x 1
50 1 . . . . . 2.410 1.800 3.020 parsed_2m2x 1
51 1 . . . . . 2.945 1.800 4.090 parsed_2m2x 1
52 1 . . . . . 2.610 1.800 3.420 parsed_2m2x 1
53 1 . . . . . 2.830 1.800 3.860 parsed_2m2x 1
54 1 . . . . . 2.780 1.800 3.760 parsed_2m2x 1
55 1 . . . . . 2.335 1.800 2.870 parsed_2m2x 1
56 1 . . . . . 2.705 1.800 3.610 parsed_2m2x 1
57 1 . . . . . 2.705 1.800 3.610 parsed_2m2x 1
58 1 . . . . . 2.750 1.800 3.700 parsed_2m2x 1
59 1 . . . . . 2.750 1.800 3.700 parsed_2m2x 1
60 1 . . . . . 2.830 1.800 3.860 parsed_2m2x 1
61 1 . . . . . 2.625 1.800 3.450 parsed_2m2x 1
62 1 . . . . . 2.365 1.800 2.930 parsed_2m2x 1
63 1 . . . . . 2.595 1.800 3.390 parsed_2m2x 1
64 1 . . . . . 2.255 1.800 2.710 parsed_2m2x 1
65 1 . . . . . 2.255 1.800 2.710 parsed_2m2x 1
66 1 . . . . . 2.955 1.500 4.410 parsed_2m2x 1
67 1 . . . . . 2.845 1.800 3.890 parsed_2m2x 1
68 1 . . . . . 2.875 1.800 3.950 parsed_2m2x 1
69 1 . . . . . 2.270 1.800 2.740 parsed_2m2x 1
70 1 . . . . . 2.270 1.800 2.740 parsed_2m2x 1
71 1 . . . . . 2.270 1.800 2.740 parsed_2m2x 1
72 1 . . . . . 2.255 1.800 2.710 parsed_2m2x 1
73 1 . . . . . 2.875 1.800 3.950 parsed_2m2x 1
74 1 . . . . . 2.300 1.800 2.800 parsed_2m2x 1
75 1 . . . . . 3.060 1.800 4.320 parsed_2m2x 1
76 1 . . . . . 3.055 1.800 4.310 parsed_2m2x 1
77 1 . . . . . 2.270 1.800 2.740 parsed_2m2x 1
78 1 . . . . . 4.090 1.800 6.380 parsed_2m2x 1
79 1 . . . . . 4.090 1.800 6.380 parsed_2m2x 1
80 1 . . . . . 4.090 1.800 6.380 parsed_2m2x 1
81 1 . . . . . 4.090 1.800 6.380 parsed_2m2x 1
82 1 . . . . . 4.090 1.800 6.380 parsed_2m2x 1
83 1 . . . . . 3.650 1.800 5.500 parsed_2m2x 1
84 1 . . . . . 3.650 1.800 5.500 parsed_2m2x 1
85 1 . . . . . 3.650 1.800 5.500 parsed_2m2x 1
86 1 . . . . . 3.650 1.800 5.500 parsed_2m2x 1
87 1 . . . . . 3.650 1.800 5.500 parsed_2m2x 1
88 1 . . . . . 4.090 1.800 6.380 parsed_2m2x 1
89 1 . . . . . 4.590 1.800 7.380 parsed_2m2x 1
90 1 . . . . . 4.560 1.800 7.320 parsed_2m2x 1
91 1 . . . . . 4.160 1.800 6.520 parsed_2m2x 1
92 1 . . . . . 4.050 1.800 6.300 parsed_2m2x 1
93 1 . . . . . 3.460 1.800 5.120 parsed_2m2x 1
94 1 . . . . . 3.680 1.800 5.560 parsed_2m2x 1
95 1 . . . . . 4.700 1.800 7.600 parsed_2m2x 1
96 1 . . . . . 3.370 1.800 4.940 parsed_2m2x 1
97 1 . . . . . 2.065 1.800 2.330 parsed_2m2x 1
98 1 . . . . . 2.120 1.800 2.440 parsed_2m2x 1
99 1 . . . . . 2.440 1.800 3.080 parsed_2m2x 1
100 1 . . . . . 2.410 1.800 3.020 parsed_2m2x 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 "H proton - H proton" 1 1 1 22 parsed_2m2x 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m2x
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.9 -29.7 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2m2x 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.3 182.5 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2m2x 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.6 -70.6 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2m2x 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.6 180.0 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2m2x 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.7 -51.5 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2m2x 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.6 187.0 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2m2x 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.1 -66.7 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2m2x 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.6 -56.8 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2m2x 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.6 164.4 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2m2x 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.5 -50.7 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2m2x 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58.3 195.1 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2m2x 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.6 164.6 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2m2x 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 8 . N . 8 . CA . 8 . CB . 8 . CG parsed_2m2x 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.6 -45.6 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2m2x 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 9 . N . 9 . CA . 9 . CB . 9 . CG parsed_2m2x 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.7 -51.5 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2m2x 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.6 187.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2m2x 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.1 -66.7 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2m2x 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.6 -56.8 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2m2x 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.6 164.4 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2m2x 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.7 -49.9 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2m2x 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64.4 197.6 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2m2x 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.8 164.2 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2m2x 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . N . 17 . CA . 17 . CB . 17 . CG parsed_2m2x 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG parsed_2m2x 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 angles" 1 1 2 17 parsed_2m2x 1
stop_
save_
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