NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
538534 |
2lr9   |
18354 | cing | 2-parsed | STAR | entry | full | 159 |
data_2lr9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lr9
_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_2lr9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lr9
_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 2lr9 "Master copy" parsed_2lr9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lr9
_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 2lr9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lr9 1
1 2lr9.mr . . XPLOR/CNS 2 distance NOE simple 123 parsed_2lr9 1
1 2lr9.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 12 parsed_2lr9 1
1 2lr9.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 24 parsed_2lr9 1
1 2lr9.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lr9 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_2lr9
_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 TOXIN 27-MAR-12 2LR9
*TITLE HIGH-RESOLUTION SOLUTION NMR STRUCTURE OF THE RHO-CONOTOXIN TIA.
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: RHO-CONOTOXIN TIA;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: RHO-TIA;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: CONUS TULIPA;
*SOURCE 4 ORGANISM_COMMON: FISH-HUNTING CONE SNAIL;
*SOURCE 5 ORGANISM_TAXID: 6495;
*SOURCE 6 OTHER_DETAILS: PEPTIDE WAS MADE SYNTHETICALLY THROUGH SOLID PHASE
*SOURCE 7 PEPTIDE CHEMISTRY.
*KEYWDS RHO-CONOTOXIN, TOXIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR K.ROSENGREN, R.J.LEWIS
*REVDAT 1 02-MAY-12 2LR9 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2lr9
_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_2lr9 1
2 1 . . . parsed_2lr9 1
3 1 . . . parsed_2lr9 1
4 1 . . . parsed_2lr9 1
5 1 . . . parsed_2lr9 1
6 1 . . . parsed_2lr9 1
7 1 . . . parsed_2lr9 1
8 1 . . . parsed_2lr9 1
9 1 . . . parsed_2lr9 1
10 1 . . . parsed_2lr9 1
11 1 . . . parsed_2lr9 1
12 1 . . . parsed_2lr9 1
13 1 . . . parsed_2lr9 1
14 1 . . . parsed_2lr9 1
15 1 . . . parsed_2lr9 1
16 1 . . . parsed_2lr9 1
17 1 . . . parsed_2lr9 1
18 1 . . . parsed_2lr9 1
19 1 . . . parsed_2lr9 1
20 1 . . . parsed_2lr9 1
21 1 . . . parsed_2lr9 1
22 1 . . . parsed_2lr9 1
23 1 . . . parsed_2lr9 1
24 1 . . . parsed_2lr9 1
25 1 . . . parsed_2lr9 1
26 1 . . . parsed_2lr9 1
27 1 . . . parsed_2lr9 1
28 1 . . . parsed_2lr9 1
29 1 . . . parsed_2lr9 1
30 1 . . . parsed_2lr9 1
31 1 . . . parsed_2lr9 1
32 1 . . . parsed_2lr9 1
33 1 . . . parsed_2lr9 1
34 1 . . . parsed_2lr9 1
35 1 . . . parsed_2lr9 1
36 1 . . . parsed_2lr9 1
37 1 . . . parsed_2lr9 1
38 1 . . . parsed_2lr9 1
39 1 . . . parsed_2lr9 1
40 1 . . . parsed_2lr9 1
41 1 . . . parsed_2lr9 1
42 1 . . . parsed_2lr9 1
43 1 . . . parsed_2lr9 1
44 1 . . . parsed_2lr9 1
45 1 . . . parsed_2lr9 1
46 1 . . . parsed_2lr9 1
47 1 . . . parsed_2lr9 1
48 1 . . . parsed_2lr9 1
49 1 . . . parsed_2lr9 1
50 1 . . . parsed_2lr9 1
51 1 . . . parsed_2lr9 1
52 1 . . . parsed_2lr9 1
53 1 . . . parsed_2lr9 1
54 1 . . . parsed_2lr9 1
55 1 . . . parsed_2lr9 1
56 1 . . . parsed_2lr9 1
57 1 . . . parsed_2lr9 1
58 1 . . . parsed_2lr9 1
59 1 . . . parsed_2lr9 1
60 1 . . . parsed_2lr9 1
61 1 . . . parsed_2lr9 1
62 1 . . . parsed_2lr9 1
63 1 . . . parsed_2lr9 1
64 1 . . . parsed_2lr9 1
65 1 . . . parsed_2lr9 1
66 1 . . . parsed_2lr9 1
67 1 . . . parsed_2lr9 1
68 1 . . . parsed_2lr9 1
69 1 . . . parsed_2lr9 1
70 1 . . . parsed_2lr9 1
71 1 . . . parsed_2lr9 1
72 1 . . . parsed_2lr9 1
73 1 . . . parsed_2lr9 1
74 1 . . . parsed_2lr9 1
75 1 . . . parsed_2lr9 1
76 1 . . . parsed_2lr9 1
77 1 . . . parsed_2lr9 1
78 1 . . . parsed_2lr9 1
79 1 . . . parsed_2lr9 1
80 1 . . . parsed_2lr9 1
81 1 . . . parsed_2lr9 1
82 1 . . . parsed_2lr9 1
83 1 . . . parsed_2lr9 1
84 1 . . . parsed_2lr9 1
85 1 . . . parsed_2lr9 1
86 1 . . . parsed_2lr9 1
87 1 . . . parsed_2lr9 1
88 1 . . . parsed_2lr9 1
89 1 . . . parsed_2lr9 1
90 1 . . . parsed_2lr9 1
91 1 . . . parsed_2lr9 1
92 1 . . . parsed_2lr9 1
93 1 . . . parsed_2lr9 1
94 1 . . . parsed_2lr9 1
95 1 . . . parsed_2lr9 1
96 1 . . . parsed_2lr9 1
97 1 . . . parsed_2lr9 1
98 1 . . . parsed_2lr9 1
99 1 . . . parsed_2lr9 1
100 1 . . . parsed_2lr9 1
101 1 . . . parsed_2lr9 1
102 1 . . . parsed_2lr9 1
103 1 . . . parsed_2lr9 1
104 1 . . . parsed_2lr9 1
105 1 . . . parsed_2lr9 1
106 1 . . . parsed_2lr9 1
107 1 . . . parsed_2lr9 1
108 1 . . . parsed_2lr9 1
109 1 . . . parsed_2lr9 1
110 1 . . . parsed_2lr9 1
111 1 . . . parsed_2lr9 1
112 1 . . . parsed_2lr9 1
113 1 . . . parsed_2lr9 1
114 1 . . . parsed_2lr9 1
115 1 . . . parsed_2lr9 1
116 1 . . . parsed_2lr9 1
117 1 . . . parsed_2lr9 1
118 1 . . . parsed_2lr9 1
119 1 . . . parsed_2lr9 1
120 1 . . . parsed_2lr9 1
121 1 . . . parsed_2lr9 1
122 1 . . . parsed_2lr9 1
123 1 . . . parsed_2lr9 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 . . . . . . . . . 8 . HB parsed_2lr9 1
1 1 2 . . . . . . . . . 12 . HN parsed_2lr9 1
2 1 1 . . . . . . . . . 12 . HN parsed_2lr9 1
2 1 2 . . . . . . . . . 12 . HB2 parsed_2lr9 1
3 1 1 . . . . . . . . . 11 . HB2 parsed_2lr9 1
3 1 2 . . . . . . . . . 12 . HN parsed_2lr9 1
4 1 1 . . . . . . . . . 11 . HB1 parsed_2lr9 1
4 1 2 . . . . . . . . . 12 . HN parsed_2lr9 1
5 1 1 . . . . . . . . . 7 . HA parsed_2lr9 1
5 1 2 . . . . . . . . . 8 . HN parsed_2lr9 1
6 1 1 . . . . . . . . . 7 . HB2 parsed_2lr9 1
6 1 2 . . . . . . . . . 8 . HN parsed_2lr9 1
7 1 1 . . . . . . . . . 7 . HB1 parsed_2lr9 1
7 1 2 . . . . . . . . . 8 . HN parsed_2lr9 1
8 1 1 . . . . . . . . . 6 . HB2 parsed_2lr9 1
8 1 2 . . . . . . . . . 7 . HN parsed_2lr9 1
9 1 1 . . . . . . . . . 12 . HB2 parsed_2lr9 1
9 1 2 . . . . . . . . . 13 . HN parsed_2lr9 1
10 1 1 . . . . . . . . . 17 . HB2 parsed_2lr9 1
10 1 2 . . . . . . . . . 18 . HN parsed_2lr9 1
11 1 1 . . . . . . . . . 7 . HN parsed_2lr9 1
11 1 2 . . . . . . . . . 8 . HN parsed_2lr9 1
12 1 1 . . . . . . . . . 14 . HN parsed_2lr9 1
12 1 2 . . . . . . . . . 15 . HN parsed_2lr9 1
13 1 1 . . . . . . . . . 11 . HN parsed_2lr9 1
13 1 2 . . . . . . . . . 12 . HN parsed_2lr9 1
14 1 1 . . . . . . . . . 12 . HN parsed_2lr9 1
14 1 2 . . . . . . . . . 13 . HN parsed_2lr9 1
15 1 1 . . . . . . . . . 12 . HB1 parsed_2lr9 1
15 1 2 . . . . . . . . . 13 . HN parsed_2lr9 1
16 1 1 . . . . . . . . . 14 . HB# parsed_2lr9 1
16 1 2 . . . . . . . . . 15 . HN parsed_2lr9 1
17 1 1 . . . . . . . . . 6 . HB1 parsed_2lr9 1
17 1 2 . . . . . . . . . 7 . HN parsed_2lr9 1
18 1 1 . . . . . . . . . 13 . HB2 parsed_2lr9 1
18 1 2 . . . . . . . . . 14 . HN parsed_2lr9 1
19 1 1 . . . . . . . . . 13 . HB1 parsed_2lr9 1
19 1 2 . . . . . . . . . 14 . HN parsed_2lr9 1
20 1 1 . . . . . . . . . 15 . HA parsed_2lr9 1
20 1 2 . . . . . . . . . 16 . HN parsed_2lr9 1
21 1 1 . . . . . . . . . 2 . HA parsed_2lr9 1
21 1 2 . . . . . . . . . 3 . HN parsed_2lr9 1
22 1 1 . . . . . . . . . 2 . HB# parsed_2lr9 1
22 1 2 . . . . . . . . . 3 . HN parsed_2lr9 1
23 1 1 . . . . . . . . . 1 . HA parsed_2lr9 1
23 1 2 . . . . . . . . . 2 . HN parsed_2lr9 1
24 1 1 . . . . . . . . . 1 . HB2 parsed_2lr9 1
24 1 2 . . . . . . . . . 2 . HN parsed_2lr9 1
25 1 1 . . . . . . . . . 1 . HB1 parsed_2lr9 1
25 1 2 . . . . . . . . . 2 . HN parsed_2lr9 1
26 1 1 . . . . . . . . . 2 . HA parsed_2lr9 1
26 1 2 . . . . . . . . . 4 . HN parsed_2lr9 1
27 1 1 . . . . . . . . . 3 . HA parsed_2lr9 1
27 1 2 . . . . . . . . . 4 . HN parsed_2lr9 1
28 1 1 . . . . . . . . . 2 . HB# parsed_2lr9 1
28 1 2 . . . . . . . . . 4 . HN parsed_2lr9 1
29 1 1 . . . . . . . . . 3 . HB# parsed_2lr9 1
29 1 2 . . . . . . . . . 4 . HN parsed_2lr9 1
30 1 1 . . . . . . . . . 4 . HB1 parsed_2lr9 1
30 1 2 . . . . . . . . . 5 . HN parsed_2lr9 1
31 1 1 . . . . . . . . . 4 . HB2 parsed_2lr9 1
31 1 2 . . . . . . . . . 5 . HN parsed_2lr9 1
32 1 1 . . . . . . . . . 4 . HA parsed_2lr9 1
32 1 2 . . . . . . . . . 5 . HN parsed_2lr9 1
33 1 1 . . . . . . . . . 5 . HB1 parsed_2lr9 1
33 1 2 . . . . . . . . . 6 . HN parsed_2lr9 1
34 1 1 . . . . . . . . . 5 . HB2 parsed_2lr9 1
34 1 2 . . . . . . . . . 6 . HN parsed_2lr9 1
35 1 1 . . . . . . . . . 8 . HB parsed_2lr9 1
35 1 2 . . . . . . . . . 11 . HN parsed_2lr9 1
36 1 1 . . . . . . . . . 9 . HA parsed_2lr9 1
36 1 2 . . . . . . . . . 12 . HN parsed_2lr9 1
37 1 1 . . . . . . . . . 18 . HB2 parsed_2lr9 1
37 1 2 . . . . . . . . . 19 . HN parsed_2lr9 1
38 1 1 . . . . . . . . . 18 . HB1 parsed_2lr9 1
38 1 2 . . . . . . . . . 19 . HN parsed_2lr9 1
39 1 1 . . . . . . . . . 16 . HB# parsed_2lr9 1
39 1 2 . . . . . . . . . 17 . HN parsed_2lr9 1
40 1 1 . . . . . . . . . 14 . HA parsed_2lr9 1
40 1 2 . . . . . . . . . 16 . HN parsed_2lr9 1
41 1 1 . . . . . . . . . 15 . HA parsed_2lr9 1
41 1 2 . . . . . . . . . 17 . HN parsed_2lr9 1
42 1 1 . . . . . . . . . 11 . HA parsed_2lr9 1
42 1 2 . . . . . . . . . 14 . HN parsed_2lr9 1
43 1 1 . . . . . . . . . 17 . HB1 parsed_2lr9 1
43 1 2 . . . . . . . . . 18 . HN parsed_2lr9 1
44 1 1 . . . . . . . . . 16 . HA parsed_2lr9 1
44 1 2 . . . . . . . . . 19 . HN parsed_2lr9 1
45 1 1 . . . . . . . . . 17 . HA parsed_2lr9 1
45 1 2 . . . . . . . . . 19 . HN parsed_2lr9 1
46 1 1 . . . . . . . . . 13 . HA parsed_2lr9 1
46 1 2 . . . . . . . . . 15 . HN parsed_2lr9 1
47 1 1 . . . . . . . . . 12 . HA parsed_2lr9 1
47 1 2 . . . . . . . . . 15 . HN parsed_2lr9 1
48 1 1 . . . . . . . . . 16 . HN parsed_2lr9 1
48 1 2 . . . . . . . . . 17 . HN parsed_2lr9 1
49 1 1 . . . . . . . . . 17 . HN parsed_2lr9 1
49 1 2 . . . . . . . . . 18 . HN parsed_2lr9 1
50 1 1 . . . . . . . . . 15 . HN parsed_2lr9 1
50 1 2 . . . . . . . . . 16 . HN parsed_2lr9 1
51 1 1 . . . . . . . . . 3 . HN parsed_2lr9 1
51 1 2 . . . . . . . . . 4 . HN parsed_2lr9 1
52 1 1 . . . . . . . . . 10 . HN parsed_2lr9 1
52 1 2 . . . . . . . . . 11 . HN parsed_2lr9 1
53 1 1 . . . . . . . . . 11 . HN parsed_2lr9 1
53 1 2 . . . . . . . . . 13 . HN parsed_2lr9 1
54 1 1 . . . . . . . . . 13 . HN parsed_2lr9 1
54 1 2 . . . . . . . . . 14 . HN parsed_2lr9 1
55 1 1 . . . . . . . . . 18 . HN parsed_2lr9 1
55 1 2 . . . . . . . . . 19 . HN parsed_2lr9 1
56 1 1 . . . . . . . . . 3 . HA parsed_2lr9 1
56 1 2 . . . . . . . . . 6 . HN parsed_2lr9 1
57 1 1 . . . . . . . . . 15 . HB2 parsed_2lr9 1
57 1 2 . . . . . . . . . 16 . HN parsed_2lr9 1
58 1 1 . . . . . . . . . 15 . HB1 parsed_2lr9 1
58 1 2 . . . . . . . . . 16 . HN parsed_2lr9 1
59 1 1 . . . . . . . . . 15 . HB1 parsed_2lr9 1
59 1 2 . . . . . . . . . 18 . HN parsed_2lr9 1
60 1 1 . . . . . . . . . 2 . HB# parsed_2lr9 1
60 1 2 . . . . . . . . . 6 . HN parsed_2lr9 1
61 1 1 . . . . . . . . . 7 . HA parsed_2lr9 1
61 1 2 . . . . . . . . . 7 . HB1 parsed_2lr9 1
62 1 1 . . . . . . . . . 6 . HA parsed_2lr9 1
62 1 2 . . . . . . . . . 12 . HA parsed_2lr9 1
63 1 1 . . . . . . . . . 11 . HA parsed_2lr9 1
63 1 2 . . . . . . . . . 14 . HB# parsed_2lr9 1
64 1 1 . . . . . . . . . 16 . HA parsed_2lr9 1
64 1 2 . . . . . . . . . 19 . HB2 parsed_2lr9 1
65 1 1 . . . . . . . . . 5 . HA parsed_2lr9 1
65 1 2 . . . . . . . . . 8 . HB parsed_2lr9 1
66 1 1 . . . . . . . . . 9 . HA parsed_2lr9 1
66 1 2 . . . . . . . . . 12 . HB1 parsed_2lr9 1
67 1 1 . . . . . . . . . 4 . HA parsed_2lr9 1
67 1 2 . . . . . . . . . 6 . HN parsed_2lr9 1
68 1 1 . . . . . . . . . 8 . HA parsed_2lr9 1
68 1 2 . . . . . . . . . 9 . HD2 parsed_2lr9 1
69 1 1 . . . . . . . . . 8 . HA parsed_2lr9 1
69 1 2 . . . . . . . . . 9 . HD1 parsed_2lr9 1
70 1 1 . . . . . . . . . 8 . HB parsed_2lr9 1
70 1 2 . . . . . . . . . 11 . HB1 parsed_2lr9 1
71 1 1 . . . . . . . . . 13 . HG# parsed_2lr9 1
71 1 2 . . . . . . . . . 14 . HN parsed_2lr9 1
72 1 1 . . . . . . . . . 4 . HG2 parsed_2lr9 1
72 1 2 . . . . . . . . . 5 . HN parsed_2lr9 1
73 1 1 . . . . . . . . . 4 . HG1 parsed_2lr9 1
73 1 2 . . . . . . . . . 5 . HN parsed_2lr9 1
74 1 1 . . . . . . . . . 14 . HB# parsed_2lr9 1
74 1 2 . . . . . . . . . 15 . HE1 parsed_2lr9 1
75 1 1 . . . . . . . . . 12 . HD# parsed_2lr9 1
75 1 2 . . . . . . . . . 13 . HN parsed_2lr9 1
76 1 1 . . . . . . . . . 3 . HE3 parsed_2lr9 1
76 1 2 . . . . . . . . . 4 . HA parsed_2lr9 1
77 1 1 . . . . . . . . . 3 . HE3 parsed_2lr9 1
77 1 2 . . . . . . . . . 4 . HG2 parsed_2lr9 1
78 1 1 . . . . . . . . . 3 . HB# parsed_2lr9 1
78 1 2 . . . . . . . . . 4 . CB parsed_2lr9 1
79 1 1 . . . . . . . . . 2 . HB# parsed_2lr9 1
79 1 2 . . . . . . . . . 3 . HD1 parsed_2lr9 1
80 1 1 . . . . . . . . . 15 . HB1 parsed_2lr9 1
80 1 2 . . . . . . . . . 18 . HD# parsed_2lr9 1
81 1 1 . . . . . . . . . 1 . HD# parsed_2lr9 1
81 1 2 . . . . . . . . . 3 . HA parsed_2lr9 1
82 1 1 . . . . . . . . . 1 . HD# parsed_2lr9 1
82 1 2 . . . . . . . . . 5 . HB1 parsed_2lr9 1
83 1 1 . . . . . . . . . 1 . HE# parsed_2lr9 1
83 1 2 . . . . . . . . . 5 . HB1 parsed_2lr9 1
84 1 1 . . . . . . . . . 1 . HE# parsed_2lr9 1
84 1 2 . . . . . . . . . 3 . HA parsed_2lr9 1
85 1 1 . . . . . . . . . 11 . HA parsed_2lr9 1
85 1 2 . . . . . . . . . 15 . HD2 parsed_2lr9 1
86 1 1 . . . . . . . . . 8 . HA parsed_2lr9 1
86 1 2 . . . . . . . . . 9 . HG1 parsed_2lr9 1
87 1 1 . . . . . . . . . 8 . HA parsed_2lr9 1
87 1 2 . . . . . . . . . 9 . HG2 parsed_2lr9 1
88 1 1 . . . . . . . . . 3 . HE3 parsed_2lr9 1
88 1 2 . . . . . . . . . 4 . HG1 parsed_2lr9 1
89 1 1 . . . . . . . . . 3 . HZ3 parsed_2lr9 1
89 1 2 . . . . . . . . . 4 . HG2 parsed_2lr9 1
90 1 1 . . . . . . . . . 3 . HZ3 parsed_2lr9 1
90 1 2 . . . . . . . . . 4 . HG1 parsed_2lr9 1
91 1 1 . . . . . . . . . 3 . HH2 parsed_2lr9 1
91 1 2 . . . . . . . . . 4 . HG2 parsed_2lr9 1
92 1 1 . . . . . . . . . 3 . HH2 parsed_2lr9 1
92 1 2 . . . . . . . . . 4 . HG1 parsed_2lr9 1
93 1 1 . . . . . . . . . 1 . HE# parsed_2lr9 1
93 1 2 . . . . . . . . . 2 . HN parsed_2lr9 1
94 1 1 . . . . . . . . . 1 . HD# parsed_2lr9 1
94 1 2 . . . . . . . . . 2 . HN parsed_2lr9 1
95 1 1 . . . . . . . . . 14 . HB# parsed_2lr9 1
95 1 2 . . . . . . . . . 15 . HD2 parsed_2lr9 1
96 1 1 . . . . . . . . . 1 . HE# parsed_2lr9 1
96 1 2 . . . . . . . . . 15 . HB1 parsed_2lr9 1
97 1 1 . . . . . . . . . 1 . HE# parsed_2lr9 1
97 1 2 . . . . . . . . . 15 . HB2 parsed_2lr9 1
98 1 1 . . . . . . . . . 5 . HA parsed_2lr9 1
98 1 2 . . . . . . . . . 11 . HB2 parsed_2lr9 1
99 1 1 . . . . . . . . . 5 . HA parsed_2lr9 1
99 1 2 . . . . . . . . . 11 . HB1 parsed_2lr9 1
100 1 1 . . . . . . . . . 6 . HB1 parsed_2lr9 1
100 1 2 . . . . . . . . . 19 . HB2 parsed_2lr9 1
101 1 1 . . . . . . . . . 6 . HA parsed_2lr9 1
101 1 2 . . . . . . . . . 12 . HB2 parsed_2lr9 1
102 1 1 . . . . . . . . . 6 . HA parsed_2lr9 1
102 1 2 . . . . . . . . . 12 . HB1 parsed_2lr9 1
103 1 1 . . . . . . . . . 6 . HA parsed_2lr9 1
103 1 2 . . . . . . . . . 12 . HG# parsed_2lr9 1
104 1 1 . . . . . . . . . 6 . HA parsed_2lr9 1
104 1 2 . . . . . . . . . 19 . HB1 parsed_2lr9 1
105 1 1 . . . . . . . . . 10 . HB# parsed_2lr9 1
105 1 2 . . . . . . . . . 11 . HN parsed_2lr9 1
106 1 1 . . . . . . . . . 8 . HG2# parsed_2lr9 1
106 1 2 . . . . . . . . . 11 . HN parsed_2lr9 1
107 1 1 . . . . . . . . . 8 . HG2# parsed_2lr9 1
107 1 2 . . . . . . . . . 10 . HN parsed_2lr9 1
108 1 1 . . . . . . . . . 8 . HG2# parsed_2lr9 1
108 1 2 . . . . . . . . . 12 . HN parsed_2lr9 1
109 1 1 . . . . . . . . . 8 . HD1# parsed_2lr9 1
109 1 2 . . . . . . . . . 11 . HB1 parsed_2lr9 1
110 1 1 . . . . . . . . . 5 . HA parsed_2lr9 1
110 1 2 . . . . . . . . . 8 . HD1# parsed_2lr9 1
111 1 1 . . . . . . . . . 8 . HG2# parsed_2lr9 1
111 1 2 . . . . . . . . . 11 . HB2 parsed_2lr9 1
112 1 1 . . . . . . . . . 8 . HG2# parsed_2lr9 1
112 1 2 . . . . . . . . . 11 . HB1 parsed_2lr9 1
113 1 1 . . . . . . . . . 8 . HG2# parsed_2lr9 1
113 1 2 . . . . . . . . . 10 . HB# parsed_2lr9 1
114 1 1 . . . . . . . . . 1 . HB# parsed_2lr9 1
114 1 2 . . . . . . . . . 2 . HN parsed_2lr9 1
115 1 1 . . . . . . . . . 1 . HE# parsed_2lr9 1
115 1 2 . . . . . . . . . 18 . HB# parsed_2lr9 1
116 1 1 . . . . . . . . . 8 . HN parsed_2lr9 1
116 1 2 . . . . . . . . . 9 . HD# parsed_2lr9 1
117 1 1 . . . . . . . . . 8 . HA parsed_2lr9 1
117 1 2 . . . . . . . . . 9 . HD# parsed_2lr9 1
118 1 1 . . . . . . . . . 8 . HG2# parsed_2lr9 1
118 1 2 . . . . . . . . . 9 . HD# parsed_2lr9 1
119 1 1 . . . . . . . . . 13 . HB# parsed_2lr9 1
119 1 2 . . . . . . . . . 14 . HN parsed_2lr9 1
120 1 1 . . . . . . . . . 16 . HG# parsed_2lr9 1
120 1 2 . . . . . . . . . 17 . HN parsed_2lr9 1
121 1 1 . . . . . . . . . 17 . HB# parsed_2lr9 1
121 1 2 . . . . . . . . . 18 . HN parsed_2lr9 1
122 1 1 . . . . . . . . . 18 . HN parsed_2lr9 1
122 1 2 . . . . . . . . . 18 . HB# parsed_2lr9 1
123 1 1 . . . . . . . . . 18 . HB# parsed_2lr9 1
123 1 2 . . . . . . . . . 19 . HN parsed_2lr9 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 . . . . . 2.985 1.800 4.170 parsed_2lr9 1
2 1 . . . . . 2.335 1.800 2.870 parsed_2lr9 1
3 1 . . . . . 2.935 1.800 4.070 parsed_2lr9 1
4 1 . . . . . 2.440 1.800 3.080 parsed_2lr9 1
5 1 . . . . . 2.485 1.800 3.170 parsed_2lr9 1
6 1 . . . . . 2.720 1.800 3.640 parsed_2lr9 1
7 1 . . . . . 3.125 1.800 4.450 parsed_2lr9 1
8 1 . . . . . 3.045 1.800 4.290 parsed_2lr9 1
9 1 . . . . . 2.765 1.800 3.730 parsed_2lr9 1
10 1 . . . . . 2.625 1.800 3.450 parsed_2lr9 1
11 1 . . . . . 2.240 1.800 2.680 parsed_2lr9 1
12 1 . . . . . 2.225 1.800 2.650 parsed_2lr9 1
13 1 . . . . . 2.195 1.800 2.590 parsed_2lr9 1
14 1 . . . . . 2.455 1.800 3.110 parsed_2lr9 1
15 1 . . . . . 2.440 1.800 3.080 parsed_2lr9 1
16 1 . . . . . 3.625 1.800 5.450 parsed_2lr9 1
17 1 . . . . . 3.015 1.800 4.230 parsed_2lr9 1
18 1 . . . . . 2.875 1.800 3.950 parsed_2lr9 1
19 1 . . . . . 2.875 1.800 3.950 parsed_2lr9 1
20 1 . . . . . 2.350 1.800 2.900 parsed_2lr9 1
21 1 . . . . . 2.180 1.800 2.560 parsed_2lr9 1
22 1 . . . . . 3.035 1.800 4.270 parsed_2lr9 1
23 1 . . . . . 2.335 1.800 2.870 parsed_2lr9 1
24 1 . . . . . 2.970 1.800 4.140 parsed_2lr9 1
25 1 . . . . . 2.970 1.800 4.140 parsed_2lr9 1
26 1 . . . . . 3.075 1.800 4.350 parsed_2lr9 1
27 1 . . . . . 2.580 1.800 3.360 parsed_2lr9 1
28 1 . . . . . 3.720 1.800 5.640 parsed_2lr9 1
29 1 . . . . . 3.345 1.800 4.890 parsed_2lr9 1
30 1 . . . . . 2.625 1.800 3.450 parsed_2lr9 1
31 1 . . . . . 2.580 1.800 3.360 parsed_2lr9 1
32 1 . . . . . 2.520 1.800 3.240 parsed_2lr9 1
33 1 . . . . . 2.690 1.800 3.580 parsed_2lr9 1
34 1 . . . . . 2.315 1.800 2.830 parsed_2lr9 1
35 1 . . . . . 2.520 1.800 3.240 parsed_2lr9 1
36 1 . . . . . 2.985 1.800 4.170 parsed_2lr9 1
37 1 . . . . . 2.705 1.800 3.610 parsed_2lr9 1
38 1 . . . . . 2.705 1.800 3.610 parsed_2lr9 1
39 1 . . . . . 3.035 1.800 4.270 parsed_2lr9 1
40 1 . . . . . 3.260 1.800 4.720 parsed_2lr9 1
41 1 . . . . . 3.125 1.800 4.450 parsed_2lr9 1
42 1 . . . . . 2.815 1.800 3.830 parsed_2lr9 1
43 1 . . . . . 2.625 1.800 3.450 parsed_2lr9 1
44 1 . . . . . 2.720 1.800 3.640 parsed_2lr9 1
45 1 . . . . . 3.200 1.800 4.600 parsed_2lr9 1
46 1 . . . . . 3.045 1.800 4.290 parsed_2lr9 1
47 1 . . . . . 3.030 1.800 4.260 parsed_2lr9 1
48 1 . . . . . 2.440 1.800 3.080 parsed_2lr9 1
49 1 . . . . . 2.350 1.800 2.900 parsed_2lr9 1
50 1 . . . . . 2.365 1.800 2.930 parsed_2lr9 1
51 1 . . . . . 2.455 1.800 3.110 parsed_2lr9 1
52 1 . . . . . 2.380 1.800 2.960 parsed_2lr9 1
53 1 . . . . . 2.875 1.800 3.950 parsed_2lr9 1
54 1 . . . . . 2.350 1.800 2.900 parsed_2lr9 1
55 1 . . . . . 2.255 1.800 2.710 parsed_2lr9 1
56 1 . . . . . 2.765 1.800 3.730 parsed_2lr9 1
57 1 . . . . . 3.450 1.800 5.100 parsed_2lr9 1
58 1 . . . . . 3.495 1.800 5.190 parsed_2lr9 1
59 1 . . . . . 3.030 1.800 4.260 parsed_2lr9 1
60 1 . . . . . 3.670 1.800 5.540 parsed_2lr9 1
61 1 . . . . . 2.365 1.800 2.930 parsed_2lr9 1
62 1 . . . . . 2.640 1.800 3.480 parsed_2lr9 1
63 1 . . . . . 3.440 1.800 5.080 parsed_2lr9 1
64 1 . . . . . 2.765 1.800 3.730 parsed_2lr9 1
65 1 . . . . . 2.675 1.800 3.550 parsed_2lr9 1
66 1 . . . . . 2.535 1.800 3.270 parsed_2lr9 1
67 1 . . . . . 2.720 1.800 3.640 parsed_2lr9 1
68 1 . . . . . 2.580 1.800 3.360 parsed_2lr9 1
69 1 . . . . . 2.580 1.800 3.360 parsed_2lr9 1
70 1 . . . . . 2.315 1.800 2.830 parsed_2lr9 1
71 1 . . . . . 4.030 1.800 6.260 parsed_2lr9 1
72 1 . . . . . 3.650 1.800 5.500 parsed_2lr9 1
73 1 . . . . . 3.650 1.800 5.500 parsed_2lr9 1
74 1 . . . . . 3.890 1.800 5.980 parsed_2lr9 1
75 1 . . . . . 4.090 1.800 6.380 parsed_2lr9 1
76 1 . . . . . 3.400 1.800 5.000 parsed_2lr9 1
77 1 . . . . . 3.650 1.800 5.500 parsed_2lr9 1
78 1 . . . . . 3.625 1.800 5.450 parsed_2lr9 1
79 1 . . . . . 4.090 1.800 6.380 parsed_2lr9 1
80 1 . . . . . 4.635 1.800 7.470 parsed_2lr9 1
81 1 . . . . . 4.715 1.800 7.630 parsed_2lr9 1
82 1 . . . . . 4.715 1.800 7.630 parsed_2lr9 1
83 1 . . . . . 4.715 1.800 7.630 parsed_2lr9 1
84 1 . . . . . 4.265 1.800 6.730 parsed_2lr9 1
85 1 . . . . . 3.605 1.800 5.410 parsed_2lr9 1
86 1 . . . . . 3.650 1.800 5.500 parsed_2lr9 1
87 1 . . . . . 3.650 1.800 5.500 parsed_2lr9 1
88 1 . . . . . 3.650 1.800 5.500 parsed_2lr9 1
89 1 . . . . . 3.650 1.800 5.500 parsed_2lr9 1
90 1 . . . . . 3.650 1.800 5.500 parsed_2lr9 1
91 1 . . . . . 3.650 1.800 5.500 parsed_2lr9 1
92 1 . . . . . 3.650 1.800 5.500 parsed_2lr9 1
93 1 . . . . . 4.715 1.800 7.630 parsed_2lr9 1
94 1 . . . . . 4.715 1.800 7.630 parsed_2lr9 1
95 1 . . . . . 3.690 1.800 5.580 parsed_2lr9 1
96 1 . . . . . 4.315 1.800 6.830 parsed_2lr9 1
97 1 . . . . . 4.715 1.800 7.630 parsed_2lr9 1
98 1 . . . . . 2.505 1.800 3.210 parsed_2lr9 1
99 1 . . . . . 3.340 1.800 4.880 parsed_2lr9 1
100 1 . . . . . 2.365 1.800 2.930 parsed_2lr9 1
101 1 . . . . . 2.485 1.800 3.170 parsed_2lr9 1
102 1 . . . . . 2.795 1.800 3.790 parsed_2lr9 1
103 1 . . . . . 3.795 1.800 5.790 parsed_2lr9 1
104 1 . . . . . 3.435 1.800 5.070 parsed_2lr9 1
105 1 . . . . . 3.340 1.800 4.880 parsed_2lr9 1
106 1 . . . . . 2.875 1.800 3.950 parsed_2lr9 1
107 1 . . . . . 2.965 1.800 4.130 parsed_2lr9 1
108 1 . . . . . 4.160 1.800 6.520 parsed_2lr9 1
109 1 . . . . . 4.160 1.800 6.520 parsed_2lr9 1
110 1 . . . . . 3.400 1.800 5.000 parsed_2lr9 1
111 1 . . . . . 3.570 1.800 5.340 parsed_2lr9 1
112 1 . . . . . 3.600 1.800 5.400 parsed_2lr9 1
113 1 . . . . . 4.110 1.800 6.420 parsed_2lr9 1
114 1 . . . . . 2.715 1.800 3.630 parsed_2lr9 1
115 1 . . . . . 4.265 1.800 6.730 parsed_2lr9 1
116 1 . . . . . 3.310 1.800 4.820 parsed_2lr9 1
117 1 . . . . . 2.370 1.800 2.940 parsed_2lr9 1
118 1 . . . . . 3.200 1.800 4.600 parsed_2lr9 1
119 1 . . . . . 2.565 1.800 3.330 parsed_2lr9 1
120 1 . . . . . 3.570 1.800 5.340 parsed_2lr9 1
121 1 . . . . . 2.360 1.800 2.920 parsed_2lr9 1
122 1 . . . . . 2.140 1.800 2.480 parsed_2lr9 1
123 1 . . . . . 2.480 1.800 3.160 parsed_2lr9 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 based on NOE intensities" 1 1 1 46 parsed_2lr9 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2lr9
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_2lr9 2
2 1 . . . parsed_2lr9 2
3 1 . . . parsed_2lr9 2
4 1 . . . parsed_2lr9 2
5 1 . . . parsed_2lr9 2
6 1 . . . parsed_2lr9 2
7 1 . . . parsed_2lr9 2
8 1 . . . parsed_2lr9 2
9 1 . . . parsed_2lr9 2
10 1 . . . parsed_2lr9 2
11 1 . . . parsed_2lr9 2
12 1 . . . parsed_2lr9 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_2lr9 2
1 1 2 . . . . . . . . . 2 . O parsed_2lr9 2
2 1 1 . . . . . . . . . 5 . N parsed_2lr9 2
2 1 2 . . . . . . . . . 2 . O parsed_2lr9 2
3 1 1 . . . . . . . . . 6 . HN parsed_2lr9 2
3 1 2 . . . . . . . . . 3 . O parsed_2lr9 2
4 1 1 . . . . . . . . . 6 . N parsed_2lr9 2
4 1 2 . . . . . . . . . 3 . O parsed_2lr9 2
5 1 1 . . . . . . . . . 7 . HN parsed_2lr9 2
5 1 2 . . . . . . . . . 4 . O parsed_2lr9 2
6 1 1 . . . . . . . . . 7 . N parsed_2lr9 2
6 1 2 . . . . . . . . . 4 . O parsed_2lr9 2
7 1 1 . . . . . . . . . 8 . HN parsed_2lr9 2
7 1 2 . . . . . . . . . 5 . O parsed_2lr9 2
8 1 1 . . . . . . . . . 8 . N parsed_2lr9 2
8 1 2 . . . . . . . . . 5 . O parsed_2lr9 2
9 1 1 . . . . . . . . . 11 . HN parsed_2lr9 2
9 1 2 . . . . . . . . . 8 . O parsed_2lr9 2
10 1 1 . . . . . . . . . 11 . N parsed_2lr9 2
10 1 2 . . . . . . . . . 8 . O parsed_2lr9 2
11 1 1 . . . . . . . . . 19 . HN parsed_2lr9 2
11 1 2 . . . . . . . . . 15 . O parsed_2lr9 2
12 1 1 . . . . . . . . . 19 . N parsed_2lr9 2
12 1 2 . . . . . . . . . 15 . O parsed_2lr9 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 . . . . . 1.900 1.800 2.000 parsed_2lr9 2
2 1 . . . . . 2.400 1.800 3.000 parsed_2lr9 2
3 1 . . . . . 1.900 1.800 2.000 parsed_2lr9 2
4 1 . . . . . 2.400 1.800 3.000 parsed_2lr9 2
5 1 . . . . . 1.900 1.800 2.000 parsed_2lr9 2
6 1 . . . . . 2.400 1.800 3.000 parsed_2lr9 2
7 1 . . . . . 1.900 1.800 2.000 parsed_2lr9 2
8 1 . . . . . 2.400 1.800 3.000 parsed_2lr9 2
9 1 . . . . . 1.900 1.800 2.000 parsed_2lr9 2
10 1 . . . . . 2.400 1.800 3.000 parsed_2lr9 2
11 1 . . . . . 1.900 1.800 2.000 parsed_2lr9 2
12 1 . . . . . 2.400 1.800 3.000 parsed_2lr9 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_2lr9 2
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lr9
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2lr9 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2lr9 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2lr9 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2lr9 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2lr9 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2lr9 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2lr9 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2lr9 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2lr9 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2lr9 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2lr9 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2lr9 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2lr9 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2lr9 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2lr9 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2lr9 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . N . 4 . CA . 4 . CB . 4 . CG parsed_2lr9 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 . N . 5 . CA . 5 . CB . 5 . SG parsed_2lr9 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 6 . N . 6 . CA . 6 . CB . 6 . SG parsed_2lr9 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . N . 7 . CA . 7 . CB . 7 . CG parsed_2lr9 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 11 . N . 11 . CA . 11 . CB . 11 . SG parsed_2lr9 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_2lr9 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . N . 15 . CA . 15 . CB . 15 . CG parsed_2lr9 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 19 . N . 19 . CA . 19 . CB . 19 . SG parsed_2lr9 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
phi angles
! ASN 2
;
1 1 4 12 parsed_2lr9 1
2 "! TRP 3" 7 2 7 12 parsed_2lr9 1
3 "! ARG 4" 10 2 10 13 parsed_2lr9 1
4 "! CYS 5" 13 2 13 12 parsed_2lr9 1
5 "! CYS 6" 16 2 16 15 parsed_2lr9 1
6 "! LEU 7" 19 2 19 15 parsed_2lr9 1
7 "! ILE 8" 22 2 22 15 parsed_2lr9 1
8 "! ALA 10" 25 2 25 15 parsed_2lr9 1
9 "! CYS 11" 28 2 28 15 parsed_2lr9 1
10 "! ARG 12" 31 2 31 15 parsed_2lr9 1
11 "! ARG 13" 34 2 34 15 parsed_2lr9 1
12 "! ASN 14" 37 2 37 15 parsed_2lr9 1
13 "! HIS 15" 40 2 40 13 parsed_2lr9 1
14 "! LYS 16" 43 2 43 14 parsed_2lr9 1
15 "! LYS 17" 46 2 46 14 parsed_2lr9 1
16 "! CYS 19" 49 2 49 14 parsed_2lr9 1
17
;
chi Angles
! Arg 4
;
52 1 54 14 parsed_2lr9 1
18 "! Cys 5" 57 2 57 15 parsed_2lr9 1
19 "! Cys 6" 60 2 60 15 parsed_2lr9 1
20 "! Leu 7" 63 2 63 15 parsed_2lr9 1
21 "! Cys 11" 66 2 66 17 parsed_2lr9 1
22 "! Arg 12" 69 2 69 15 parsed_2lr9 1
23 "! His 15" 72 3 72 17 parsed_2lr9 1
24 "! Cys 19" 75 3 75 17 parsed_2lr9 1
stop_
save_
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