NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
538904 |
2ley   |
17733 | cing | 2-parsed | STAR | entry | full | 199 |
data_2ley_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ley
_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_2ley 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ley
_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 2ley "Master copy" parsed_2ley
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ley
_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 2ley.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ley 1
1 2ley.mr . . XPLOR/CNS 2 distance NOE simple 142 parsed_2ley 1
1 2ley.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 31 parsed_2ley 1
1 2ley.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 26 parsed_2ley 1
1 2ley.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ley 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_2ley
_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 26-JUN-11 2LEY
*TITLE SOLUTION STRUCTURE OF (R7G)-CRP4
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ALPHA-DEFENSIN 4;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: DEFENSIN-RELATED CRYPTDIN-4;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
*SOURCE 3 ORGANISM_COMMON: MOUSE;
*SOURCE 4 ORGANISM_TAXID: 10090;
*SOURCE 5 GENE: DEFA4, DEFCR4;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET28A
*KEYWDS ANTIMICROBIAL PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR K.ROSENGREN, H.S.ANDERSSON, L.M.HAUGAARD-KEDSTROM, E.BENGTSSON,
*AUTHOR 2 N.L.DALY, S.M.FIGUEREDO, X.QU, D.J.CRAIK, A.J.OUELLETTE
*REVDAT 1 16-MAY-12 2LEY 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ley
_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_2ley 1
2 1 . . . parsed_2ley 1
3 1 . . . parsed_2ley 1
4 1 . . . parsed_2ley 1
5 1 . . . parsed_2ley 1
6 1 . . . parsed_2ley 1
7 1 . . . parsed_2ley 1
8 1 . . . parsed_2ley 1
9 1 . . . parsed_2ley 1
10 1 . . . parsed_2ley 1
11 1 . . . parsed_2ley 1
12 1 . . . parsed_2ley 1
13 1 . . . parsed_2ley 1
14 1 . . . parsed_2ley 1
15 1 . . . parsed_2ley 1
16 1 . . . parsed_2ley 1
17 1 . . . parsed_2ley 1
18 1 . . . parsed_2ley 1
19 1 . . . parsed_2ley 1
20 1 . . . parsed_2ley 1
21 1 . . . parsed_2ley 1
22 1 . . . parsed_2ley 1
23 1 . . . parsed_2ley 1
24 1 . . . parsed_2ley 1
25 1 . . . parsed_2ley 1
26 1 . . . parsed_2ley 1
27 1 . . . parsed_2ley 1
28 1 . . . parsed_2ley 1
29 1 . . . parsed_2ley 1
30 1 . . . parsed_2ley 1
31 1 . . . parsed_2ley 1
32 1 . . . parsed_2ley 1
33 1 . . . parsed_2ley 1
34 1 . . . parsed_2ley 1
35 1 . . . parsed_2ley 1
36 1 . . . parsed_2ley 1
37 1 . . . parsed_2ley 1
38 1 . . . parsed_2ley 1
39 1 . . . parsed_2ley 1
40 1 . . . parsed_2ley 1
41 1 . . . parsed_2ley 1
42 1 . . . parsed_2ley 1
43 1 . . . parsed_2ley 1
44 1 . . . parsed_2ley 1
45 1 . . . parsed_2ley 1
46 1 . . . parsed_2ley 1
47 1 . . . parsed_2ley 1
48 1 . . . parsed_2ley 1
49 1 . . . parsed_2ley 1
50 1 . . . parsed_2ley 1
51 1 . . . parsed_2ley 1
52 1 . . . parsed_2ley 1
53 1 . . . parsed_2ley 1
54 1 . . . parsed_2ley 1
55 1 . . . parsed_2ley 1
56 1 . . . parsed_2ley 1
57 1 . . . parsed_2ley 1
58 1 . . . parsed_2ley 1
59 1 . . . parsed_2ley 1
60 1 . . . parsed_2ley 1
61 1 . . . parsed_2ley 1
62 1 . . . parsed_2ley 1
63 1 . . . parsed_2ley 1
64 1 . . . parsed_2ley 1
65 1 . . . parsed_2ley 1
66 1 . . . parsed_2ley 1
67 1 . . . parsed_2ley 1
68 1 . . . parsed_2ley 1
69 1 . . . parsed_2ley 1
70 1 . . . parsed_2ley 1
71 1 . . . parsed_2ley 1
72 1 . . . parsed_2ley 1
73 1 . . . parsed_2ley 1
74 1 . . . parsed_2ley 1
75 1 . . . parsed_2ley 1
76 1 . . . parsed_2ley 1
77 1 . . . parsed_2ley 1
78 1 . . . parsed_2ley 1
79 1 . . . parsed_2ley 1
80 1 . . . parsed_2ley 1
81 1 . . . parsed_2ley 1
82 1 . . . parsed_2ley 1
83 1 . . . parsed_2ley 1
84 1 . . . parsed_2ley 1
85 1 . . . parsed_2ley 1
86 1 . . . parsed_2ley 1
87 1 . . . parsed_2ley 1
88 1 . . . parsed_2ley 1
89 1 . . . parsed_2ley 1
90 1 . . . parsed_2ley 1
91 1 . . . parsed_2ley 1
92 1 . . . parsed_2ley 1
93 1 . . . parsed_2ley 1
94 1 . . . parsed_2ley 1
95 1 . . . parsed_2ley 1
96 1 . . . parsed_2ley 1
97 1 . . . parsed_2ley 1
98 1 . . . parsed_2ley 1
99 1 . . . parsed_2ley 1
100 1 . . . parsed_2ley 1
101 1 . . . parsed_2ley 1
102 1 . . . parsed_2ley 1
103 1 . . . parsed_2ley 1
104 1 . . . parsed_2ley 1
105 1 . . . parsed_2ley 1
106 1 . . . parsed_2ley 1
107 1 . . . parsed_2ley 1
108 1 . . . parsed_2ley 1
109 1 . . . parsed_2ley 1
110 1 . . . parsed_2ley 1
111 1 . . . parsed_2ley 1
112 1 . . . parsed_2ley 1
113 1 . . . parsed_2ley 1
114 1 . . . parsed_2ley 1
115 1 . . . parsed_2ley 1
116 1 . . . parsed_2ley 1
117 1 . . . parsed_2ley 1
118 1 . . . parsed_2ley 1
119 1 . . . parsed_2ley 1
120 1 . . . parsed_2ley 1
121 1 . . . parsed_2ley 1
122 1 . . . parsed_2ley 1
123 1 . . . parsed_2ley 1
124 1 . . . parsed_2ley 1
125 1 . . . parsed_2ley 1
126 1 . . . parsed_2ley 1
127 1 . . . parsed_2ley 1
128 1 . . . parsed_2ley 1
129 1 . . . parsed_2ley 1
130 1 . . . parsed_2ley 1
131 1 . . . parsed_2ley 1
132 1 . . . parsed_2ley 1
133 1 . . . parsed_2ley 1
134 1 . . . parsed_2ley 1
135 1 . . . parsed_2ley 1
136 1 . . . parsed_2ley 1
137 1 . . . parsed_2ley 1
138 1 . . . parsed_2ley 1
139 1 . . . parsed_2ley 1
140 1 . . . parsed_2ley 1
141 1 . . . parsed_2ley 1
142 1 . . . parsed_2ley 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 . . . . . . . . . 7 . HA1 parsed_2ley 1
1 1 2 . . . . . . . . . 8 . HN parsed_2ley 1
2 1 1 . . . . . . . . . 7 . HA2 parsed_2ley 1
2 1 2 . . . . . . . . . 8 . HN parsed_2ley 1
3 1 1 . . . . . . . . . 6 . HA parsed_2ley 1
3 1 2 . . . . . . . . . 7 . HN parsed_2ley 1
4 1 1 . . . . . . . . . 6 . HB1 parsed_2ley 1
4 1 2 . . . . . . . . . 7 . HN parsed_2ley 1
5 1 1 . . . . . . . . . 5 . HA parsed_2ley 1
5 1 2 . . . . . . . . . 6 . HN parsed_2ley 1
6 1 1 . . . . . . . . . 18 . HA parsed_2ley 1
6 1 2 . . . . . . . . . 19 . HN parsed_2ley 1
7 1 1 . . . . . . . . . 20 . HA parsed_2ley 1
7 1 2 . . . . . . . . . 21 . HN parsed_2ley 1
8 1 1 . . . . . . . . . 20 . HB parsed_2ley 1
8 1 2 . . . . . . . . . 21 . HN parsed_2ley 1
9 1 1 . . . . . . . . . 21 . HB2 parsed_2ley 1
9 1 2 . . . . . . . . . 22 . HN parsed_2ley 1
10 1 1 . . . . . . . . . 25 . HA parsed_2ley 1
10 1 2 . . . . . . . . . 26 . HN parsed_2ley 1
11 1 1 . . . . . . . . . 25 . HB1 parsed_2ley 1
11 1 2 . . . . . . . . . 26 . HN parsed_2ley 1
12 1 1 . . . . . . . . . 25 . HB2 parsed_2ley 1
12 1 2 . . . . . . . . . 26 . HN parsed_2ley 1
13 1 1 . . . . . . . . . 26 . HB# parsed_2ley 1
13 1 2 . . . . . . . . . 27 . HN parsed_2ley 1
14 1 1 . . . . . . . . . 26 . HA parsed_2ley 1
14 1 2 . . . . . . . . . 27 . HN parsed_2ley 1
15 1 1 . . . . . . . . . 23 . HA parsed_2ley 1
15 1 2 . . . . . . . . . 24 . HN parsed_2ley 1
16 1 1 . . . . . . . . . 22 . HA1 parsed_2ley 1
16 1 2 . . . . . . . . . 23 . HN parsed_2ley 1
17 1 1 . . . . . . . . . 5 . HB# parsed_2ley 1
17 1 2 . . . . . . . . . 6 . HN parsed_2ley 1
18 1 1 . . . . . . . . . 10 . HA parsed_2ley 1
18 1 2 . . . . . . . . . 11 . HN parsed_2ley 1
19 1 1 . . . . . . . . . 10 . HB2 parsed_2ley 1
19 1 2 . . . . . . . . . 11 . HN parsed_2ley 1
20 1 1 . . . . . . . . . 4 . HA parsed_2ley 1
20 1 2 . . . . . . . . . 5 . HN parsed_2ley 1
21 1 1 . . . . . . . . . 4 . HB2 parsed_2ley 1
21 1 2 . . . . . . . . . 5 . HN parsed_2ley 1
22 1 1 . . . . . . . . . 4 . HB1 parsed_2ley 1
22 1 2 . . . . . . . . . 5 . HN parsed_2ley 1
23 1 1 . . . . . . . . . 3 . HB# parsed_2ley 1
23 1 2 . . . . . . . . . 4 . HN parsed_2ley 1
24 1 1 . . . . . . . . . 3 . HA parsed_2ley 1
24 1 2 . . . . . . . . . 4 . HN parsed_2ley 1
25 1 1 . . . . . . . . . 15 . HA parsed_2ley 1
25 1 2 . . . . . . . . . 16 . HN parsed_2ley 1
26 1 1 . . . . . . . . . 15 . HB1 parsed_2ley 1
26 1 2 . . . . . . . . . 16 . HN parsed_2ley 1
27 1 1 . . . . . . . . . 16 . HA parsed_2ley 1
27 1 2 . . . . . . . . . 17 . HN parsed_2ley 1
28 1 1 . . . . . . . . . 16 . HB# parsed_2ley 1
28 1 2 . . . . . . . . . 17 . HN parsed_2ley 1
29 1 1 . . . . . . . . . 28 . HB1 parsed_2ley 1
29 1 2 . . . . . . . . . 29 . HN parsed_2ley 1
30 1 1 . . . . . . . . . 28 . HA parsed_2ley 1
30 1 2 . . . . . . . . . 29 . HN parsed_2ley 1
31 1 1 . . . . . . . . . 27 . HB1 parsed_2ley 1
31 1 2 . . . . . . . . . 28 . HN parsed_2ley 1
32 1 1 . . . . . . . . . 5 . HN parsed_2ley 1
32 1 2 . . . . . . . . . 29 . HA parsed_2ley 1
33 1 1 . . . . . . . . . 5 . HN parsed_2ley 1
33 1 2 . . . . . . . . . 28 . HN parsed_2ley 1
34 1 1 . . . . . . . . . 4 . HA parsed_2ley 1
34 1 2 . . . . . . . . . 29 . HA parsed_2ley 1
35 1 1 . . . . . . . . . 6 . HA parsed_2ley 1
35 1 2 . . . . . . . . . 28 . HN parsed_2ley 1
36 1 1 . . . . . . . . . 6 . HA parsed_2ley 1
36 1 2 . . . . . . . . . 27 . HA parsed_2ley 1
37 1 1 . . . . . . . . . 7 . HN parsed_2ley 1
37 1 2 . . . . . . . . . 27 . HA parsed_2ley 1
38 1 1 . . . . . . . . . 7 . HN parsed_2ley 1
38 1 2 . . . . . . . . . 26 . HN parsed_2ley 1
39 1 1 . . . . . . . . . 16 . HN parsed_2ley 1
39 1 2 . . . . . . . . . 29 . HN parsed_2ley 1
40 1 1 . . . . . . . . . 18 . HN parsed_2ley 1
40 1 2 . . . . . . . . . 28 . HA parsed_2ley 1
41 1 1 . . . . . . . . . 23 . HN parsed_2ley 1
41 1 2 . . . . . . . . . 25 . HN parsed_2ley 1
42 1 1 . . . . . . . . . 19 . HN parsed_2ley 1
42 1 2 . . . . . . . . . 27 . HN parsed_2ley 1
43 1 1 . . . . . . . . . 20 . HA parsed_2ley 1
43 1 2 . . . . . . . . . 27 . HN parsed_2ley 1
44 1 1 . . . . . . . . . 21 . HN parsed_2ley 1
44 1 2 . . . . . . . . . 26 . HA parsed_2ley 1
45 1 1 . . . . . . . . . 24 . HA parsed_2ley 1
45 1 2 . . . . . . . . . 25 . HN parsed_2ley 1
46 1 1 . . . . . . . . . 18 . HN parsed_2ley 1
46 1 2 . . . . . . . . . 19 . HN parsed_2ley 1
47 1 1 . . . . . . . . . 30 . HB2 parsed_2ley 1
47 1 2 . . . . . . . . . 31 . HN parsed_2ley 1
48 1 1 . . . . . . . . . 23 . HB parsed_2ley 1
48 1 2 . . . . . . . . . 24 . HN parsed_2ley 1
49 1 1 . . . . . . . . . 21 . HN parsed_2ley 1
49 1 2 . . . . . . . . . 25 . HB2 parsed_2ley 1
50 1 1 . . . . . . . . . 9 . HN parsed_2ley 1
50 1 2 . . . . . . . . . 25 . HA parsed_2ley 1
51 1 1 . . . . . . . . . 13 . HA parsed_2ley 1
51 1 2 . . . . . . . . . 14 . HN parsed_2ley 1
52 1 1 . . . . . . . . . 11 . HB1 parsed_2ley 1
52 1 2 . . . . . . . . . 12 . HN parsed_2ley 1
53 1 1 . . . . . . . . . 24 . HN parsed_2ley 1
53 1 2 . . . . . . . . . 25 . HN parsed_2ley 1
54 1 1 . . . . . . . . . 31 . HN parsed_2ley 1
54 1 2 . . . . . . . . . 32 . HN parsed_2ley 1
55 1 1 . . . . . . . . . 8 . HN parsed_2ley 1
55 1 2 . . . . . . . . . 10 . HN parsed_2ley 1
56 1 1 . . . . . . . . . 21 . HN parsed_2ley 1
56 1 2 . . . . . . . . . 22 . HN parsed_2ley 1
57 1 1 . . . . . . . . . 21 . HN parsed_2ley 1
57 1 2 . . . . . . . . . 25 . HN parsed_2ley 1
58 1 1 . . . . . . . . . 7 . HN parsed_2ley 1
58 1 2 . . . . . . . . . 28 . HN parsed_2ley 1
59 1 1 . . . . . . . . . 22 . HA2 parsed_2ley 1
59 1 2 . . . . . . . . . 23 . HN parsed_2ley 1
60 1 1 . . . . . . . . . 2 . HA parsed_2ley 1
60 1 2 . . . . . . . . . 3 . HN parsed_2ley 1
61 1 1 . . . . . . . . . 11 . HB2 parsed_2ley 1
61 1 2 . . . . . . . . . 12 . HN parsed_2ley 1
62 1 1 . . . . . . . . . 11 . HA parsed_2ley 1
62 1 2 . . . . . . . . . 12 . HN parsed_2ley 1
63 1 1 . . . . . . . . . 12 . HB# parsed_2ley 1
63 1 2 . . . . . . . . . 13 . HN parsed_2ley 1
64 1 1 . . . . . . . . . 12 . HA parsed_2ley 1
64 1 2 . . . . . . . . . 13 . HN parsed_2ley 1
65 1 1 . . . . . . . . . 15 . HA parsed_2ley 1
65 1 2 . . . . . . . . . 31 . HN parsed_2ley 1
66 1 1 . . . . . . . . . 13 . HA parsed_2ley 1
66 1 2 . . . . . . . . . 15 . HN parsed_2ley 1
67 1 1 . . . . . . . . . 9 . HA1 parsed_2ley 1
67 1 2 . . . . . . . . . 10 . HN parsed_2ley 1
68 1 1 . . . . . . . . . 9 . HA2 parsed_2ley 1
68 1 2 . . . . . . . . . 10 . HN parsed_2ley 1
69 1 1 . . . . . . . . . 30 . HB1 parsed_2ley 1
69 1 2 . . . . . . . . . 31 . HN parsed_2ley 1
70 1 1 . . . . . . . . . 16 . HN parsed_2ley 1
70 1 2 . . . . . . . . . 30 . HA parsed_2ley 1
71 1 1 . . . . . . . . . 30 . HA parsed_2ley 1
71 1 2 . . . . . . . . . 31 . HN parsed_2ley 1
72 1 1 . . . . . . . . . 14 . HN parsed_2ley 1
72 1 2 . . . . . . . . . 15 . HN parsed_2ley 1
73 1 1 . . . . . . . . . 17 . HA parsed_2ley 1
73 1 2 . . . . . . . . . 18 . HN parsed_2ley 1
74 1 1 . . . . . . . . . 18 . HD# parsed_2ley 1
74 1 2 . . . . . . . . . 19 . HN parsed_2ley 1
75 1 1 . . . . . . . . . 18 . HG# parsed_2ley 1
75 1 2 . . . . . . . . . 19 . HN parsed_2ley 1
76 1 1 . . . . . . . . . 26 . HG parsed_2ley 1
76 1 2 . . . . . . . . . 27 . HN parsed_2ley 1
77 1 1 . . . . . . . . . 16 . HG# parsed_2ley 1
77 1 2 . . . . . . . . . 17 . HN parsed_2ley 1
78 1 1 . . . . . . . . . 16 . HB# parsed_2ley 1
78 1 2 . . . . . . . . . 29 . HN parsed_2ley 1
79 1 1 . . . . . . . . . 5 . HD# parsed_2ley 1
79 1 2 . . . . . . . . . 28 . HB2 parsed_2ley 1
80 1 1 . . . . . . . . . 5 . HE# parsed_2ley 1
80 1 2 . . . . . . . . . 28 . HB2 parsed_2ley 1
81 1 1 . . . . . . . . . 18 . HB# parsed_2ley 1
81 1 2 . . . . . . . . . 27 . HD# parsed_2ley 1
82 1 1 . . . . . . . . . 4 . HB2 parsed_2ley 1
82 1 2 . . . . . . . . . 27 . HE# parsed_2ley 1
83 1 1 . . . . . . . . . 4 . HB2 parsed_2ley 1
83 1 2 . . . . . . . . . 27 . HD# parsed_2ley 1
84 1 1 . . . . . . . . . 4 . HB1 parsed_2ley 1
84 1 2 . . . . . . . . . 27 . HE# parsed_2ley 1
85 1 1 . . . . . . . . . 19 . HN parsed_2ley 1
85 1 2 . . . . . . . . . 27 . HB2 parsed_2ley 1
86 1 1 . . . . . . . . . 5 . HE# parsed_2ley 1
86 1 2 . . . . . . . . . 7 . HA2 parsed_2ley 1
87 1 1 . . . . . . . . . 5 . HD# parsed_2ley 1
87 1 2 . . . . . . . . . 7 . HA2 parsed_2ley 1
88 1 1 . . . . . . . . . 5 . HE# parsed_2ley 1
88 1 2 . . . . . . . . . 7 . HA1 parsed_2ley 1
89 1 1 . . . . . . . . . 5 . HD# parsed_2ley 1
89 1 2 . . . . . . . . . 7 . HA1 parsed_2ley 1
90 1 1 . . . . . . . . . 4 . HA parsed_2ley 1
90 1 2 . . . . . . . . . 5 . HD# parsed_2ley 1
91 1 1 . . . . . . . . . 8 . HA parsed_2ley 1
91 1 2 . . . . . . . . . 25 . HD# parsed_2ley 1
92 1 1 . . . . . . . . . 5 . HD# parsed_2ley 1
92 1 2 . . . . . . . . . 6 . HN parsed_2ley 1
93 1 1 . . . . . . . . . 27 . HD# parsed_2ley 1
93 1 2 . . . . . . . . . 28 . HN parsed_2ley 1
94 1 1 . . . . . . . . . 5 . HE# parsed_2ley 1
94 1 2 . . . . . . . . . 6 . HN parsed_2ley 1
95 1 1 . . . . . . . . . 11 . HB1 parsed_2ley 1
95 1 2 . . . . . . . . . 28 . HB1 parsed_2ley 1
96 1 1 . . . . . . . . . 11 . HB1 parsed_2ley 1
96 1 2 . . . . . . . . . 15 . HB2 parsed_2ley 1
97 1 1 . . . . . . . . . 12 . HG# parsed_2ley 1
97 1 2 . . . . . . . . . 13 . HN parsed_2ley 1
98 1 1 . . . . . . . . . 12 . HD# parsed_2ley 1
98 1 2 . . . . . . . . . 13 . HN parsed_2ley 1
99 1 1 . . . . . . . . . 5 . HN parsed_2ley 1
99 1 2 . . . . . . . . . 28 . HB2 parsed_2ley 1
100 1 1 . . . . . . . . . 4 . HA parsed_2ley 1
100 1 2 . . . . . . . . . 30 . HD2 parsed_2ley 1
101 1 1 . . . . . . . . . 4 . HA parsed_2ley 1
101 1 2 . . . . . . . . . 30 . HD1 parsed_2ley 1
102 1 1 . . . . . . . . . 29 . HA parsed_2ley 1
102 1 2 . . . . . . . . . 30 . HD2 parsed_2ley 1
103 1 1 . . . . . . . . . 29 . HA parsed_2ley 1
103 1 2 . . . . . . . . . 30 . HD1 parsed_2ley 1
104 1 1 . . . . . . . . . 8 . HB# parsed_2ley 1
104 1 2 . . . . . . . . . 25 . HD# parsed_2ley 1
105 1 1 . . . . . . . . . 8 . HB# parsed_2ley 1
105 1 2 . . . . . . . . . 25 . HE# parsed_2ley 1
106 1 1 . . . . . . . . . 6 . HA parsed_2ley 1
106 1 2 . . . . . . . . . 27 . HD# parsed_2ley 1
107 1 1 . . . . . . . . . 7 . HN parsed_2ley 1
107 1 2 . . . . . . . . . 25 . HB1 parsed_2ley 1
108 1 1 . . . . . . . . . 5 . HE# parsed_2ley 1
108 1 2 . . . . . . . . . 28 . HB1 parsed_2ley 1
109 1 1 . . . . . . . . . 18 . HB# parsed_2ley 1
109 1 2 . . . . . . . . . 27 . HE# parsed_2ley 1
110 1 1 . . . . . . . . . 5 . HD# parsed_2ley 1
110 1 2 . . . . . . . . . 28 . HB1 parsed_2ley 1
111 1 1 . . . . . . . . . 11 . HB1 parsed_2ley 1
111 1 2 . . . . . . . . . 15 . HB1 parsed_2ley 1
112 1 1 . . . . . . . . . 17 . HG* parsed_2ley 1
112 1 2 . . . . . . . . . 18 . HN parsed_2ley 1
113 1 1 . . . . . . . . . 20 . HG2# parsed_2ley 1
113 1 2 . . . . . . . . . 21 . HN parsed_2ley 1
114 1 1 . . . . . . . . . 26 . HD# parsed_2ley 1
114 1 2 . . . . . . . . . 27 . HN parsed_2ley 1
115 1 1 . . . . . . . . . 23 . HG2# parsed_2ley 1
115 1 2 . . . . . . . . . 24 . HN parsed_2ley 1
116 1 1 . . . . . . . . . 11 . HN parsed_2ley 1
116 1 2 . . . . . . . . . 26 . HD# parsed_2ley 1
117 1 1 . . . . . . . . . 17 . HG* parsed_2ley 1
117 1 2 . . . . . . . . . 19 . HN parsed_2ley 1
118 1 1 . . . . . . . . . 20 . HG2# parsed_2ley 1
118 1 2 . . . . . . . . . 26 . HA parsed_2ley 1
119 1 1 . . . . . . . . . 17 . HG* parsed_2ley 1
119 1 2 . . . . . . . . . 18 . HA parsed_2ley 1
120 1 1 . . . . . . . . . 17 . HA parsed_2ley 1
120 1 2 . . . . . . . . . 26 . HD# parsed_2ley 1
121 1 1 . . . . . . . . . 17 . HG* parsed_2ley 1
121 1 2 . . . . . . . . . 27 . HN parsed_2ley 1
122 1 1 . . . . . . . . . 10 . HA parsed_2ley 1
122 1 2 . . . . . . . . . 26 . HD# parsed_2ley 1
123 1 1 . . . . . . . . . 20 . HA parsed_2ley 1
123 1 2 . . . . . . . . . 26 . HD# parsed_2ley 1
124 1 1 . . . . . . . . . 4 . HA parsed_2ley 1
124 1 2 . . . . . . . . . 30 . HD# parsed_2ley 1
125 1 1 . . . . . . . . . 5 . HD# parsed_2ley 1
125 1 2 . . . . . . . . . 7 . HA# parsed_2ley 1
126 1 1 . . . . . . . . . 5 . HE# parsed_2ley 1
126 1 2 . . . . . . . . . 7 . HA# parsed_2ley 1
127 1 1 . . . . . . . . . 7 . HA# parsed_2ley 1
127 1 2 . . . . . . . . . 8 . HN parsed_2ley 1
128 1 1 . . . . . . . . . 8 . HD# parsed_2ley 1
128 1 2 . . . . . . . . . 25 . HD# parsed_2ley 1
129 1 1 . . . . . . . . . 8 . HD# parsed_2ley 1
129 1 2 . . . . . . . . . 25 . HE# parsed_2ley 1
130 1 1 . . . . . . . . . 8 . HD# parsed_2ley 1
130 1 2 . . . . . . . . . 25 . HZ parsed_2ley 1
131 1 1 . . . . . . . . . 11 . HB1 parsed_2ley 1
131 1 2 . . . . . . . . . 15 . HG# parsed_2ley 1
132 1 1 . . . . . . . . . 12 . HN parsed_2ley 1
132 1 2 . . . . . . . . . 15 . HG# parsed_2ley 1
133 1 1 . . . . . . . . . 15 . HB2 parsed_2ley 1
133 1 2 . . . . . . . . . 30 . HB# parsed_2ley 1
134 1 1 . . . . . . . . . 15 . HG# parsed_2ley 1
134 1 2 . . . . . . . . . 16 . HN parsed_2ley 1
135 1 1 . . . . . . . . . 18 . HG# parsed_2ley 1
135 1 2 . . . . . . . . . 27 . HD# parsed_2ley 1
136 1 1 . . . . . . . . . 18 . HG# parsed_2ley 1
136 1 2 . . . . . . . . . 27 . HE# parsed_2ley 1
137 1 1 . . . . . . . . . 19 . HA# parsed_2ley 1
137 1 2 . . . . . . . . . 20 . HN parsed_2ley 1
138 1 1 . . . . . . . . . 22 . HA# parsed_2ley 1
138 1 2 . . . . . . . . . 23 . HN parsed_2ley 1
139 1 1 . . . . . . . . . 22 . HA# parsed_2ley 1
139 1 2 . . . . . . . . . 25 . HD# parsed_2ley 1
140 1 1 . . . . . . . . . 29 . HA parsed_2ley 1
140 1 2 . . . . . . . . . 30 . HD# parsed_2ley 1
141 1 1 . . . . . . . . . 29 . HB# parsed_2ley 1
141 1 2 . . . . . . . . . 30 . HD# parsed_2ley 1
142 1 1 . . . . . . . . . 30 . HB# parsed_2ley 1
142 1 2 . . . . . . . . . 32 . HN parsed_2ley 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 . . . . . 2.470 1.800 3.140 parsed_2ley 1
2 1 . . . . . 2.470 1.800 3.140 parsed_2ley 1
3 1 . . . . . 2.145 1.800 2.490 parsed_2ley 1
4 1 . . . . . 3.155 1.800 4.510 parsed_2ley 1
5 1 . . . . . 2.180 1.800 2.560 parsed_2ley 1
6 1 . . . . . 2.705 1.800 3.610 parsed_2ley 1
7 1 . . . . . 2.195 1.800 2.590 parsed_2ley 1
8 1 . . . . . 2.365 1.800 2.930 parsed_2ley 1
9 1 . . . . . 3.030 1.800 4.260 parsed_2ley 1
10 1 . . . . . 2.160 1.800 2.520 parsed_2ley 1
11 1 . . . . . 2.335 1.800 2.870 parsed_2ley 1
12 1 . . . . . 3.170 1.800 4.540 parsed_2ley 1
13 1 . . . . . 3.515 1.800 5.230 parsed_2ley 1
14 1 . . . . . 2.180 1.800 2.560 parsed_2ley 1
15 1 . . . . . 2.365 1.800 2.930 parsed_2ley 1
16 1 . . . . . 2.565 1.800 3.330 parsed_2ley 1
17 1 . . . . . 3.005 1.800 4.210 parsed_2ley 1
18 1 . . . . . 2.240 1.800 2.680 parsed_2ley 1
19 1 . . . . . 2.735 1.800 3.670 parsed_2ley 1
20 1 . . . . . 2.195 1.800 2.590 parsed_2ley 1
21 1 . . . . . 2.935 1.800 4.070 parsed_2ley 1
22 1 . . . . . 2.380 1.800 2.960 parsed_2ley 1
23 1 . . . . . 3.175 1.800 4.550 parsed_2ley 1
24 1 . . . . . 2.160 1.800 2.520 parsed_2ley 1
25 1 . . . . . 2.210 1.800 2.620 parsed_2ley 1
26 1 . . . . . 2.660 1.800 3.520 parsed_2ley 1
27 1 . . . . . 2.100 1.800 2.400 parsed_2ley 1
28 1 . . . . . 3.125 1.800 4.450 parsed_2ley 1
29 1 . . . . . 3.200 1.800 4.600 parsed_2ley 1
30 1 . . . . . 2.130 1.800 2.460 parsed_2ley 1
31 1 . . . . . 2.955 1.800 4.110 parsed_2ley 1
32 1 . . . . . 2.735 1.800 3.670 parsed_2ley 1
33 1 . . . . . 2.315 1.800 2.830 parsed_2ley 1
34 1 . . . . . 3.090 1.800 4.380 parsed_2ley 1
35 1 . . . . . 2.750 1.800 3.700 parsed_2ley 1
36 1 . . . . . 2.860 1.800 3.920 parsed_2ley 1
37 1 . . . . . 3.140 1.800 4.480 parsed_2ley 1
38 1 . . . . . 2.640 1.800 3.480 parsed_2ley 1
39 1 . . . . . 2.410 1.800 3.020 parsed_2ley 1
40 1 . . . . . 3.370 1.800 4.940 parsed_2ley 1
41 1 . . . . . 3.370 1.800 4.940 parsed_2ley 1
42 1 . . . . . 2.845 1.800 3.890 parsed_2ley 1
43 1 . . . . . 2.505 1.800 3.210 parsed_2ley 1
44 1 . . . . . 2.640 1.800 3.480 parsed_2ley 1
45 1 . . . . . 2.660 1.800 3.520 parsed_2ley 1
46 1 . . . . . 2.315 1.800 2.830 parsed_2ley 1
47 1 . . . . . 2.735 1.800 3.670 parsed_2ley 1
48 1 . . . . . 2.640 1.800 3.480 parsed_2ley 1
49 1 . . . . . 2.875 1.800 3.950 parsed_2ley 1
50 1 . . . . . 2.705 1.800 3.610 parsed_2ley 1
51 1 . . . . . 2.315 1.800 2.830 parsed_2ley 1
52 1 . . . . . 2.255 1.800 2.710 parsed_2ley 1
53 1 . . . . . 2.350 1.800 2.900 parsed_2ley 1
54 1 . . . . . 2.625 1.800 3.450 parsed_2ley 1
55 1 . . . . . 2.795 1.800 3.790 parsed_2ley 1
56 1 . . . . . 2.675 1.800 3.550 parsed_2ley 1
57 1 . . . . . 3.170 1.800 4.540 parsed_2ley 1
58 1 . . . . . 2.815 1.800 3.830 parsed_2ley 1
59 1 . . . . . 2.565 1.800 3.330 parsed_2ley 1
60 1 . . . . . 2.270 1.800 2.740 parsed_2ley 1
61 1 . . . . . 2.610 1.800 3.420 parsed_2ley 1
62 1 . . . . . 2.350 1.800 2.900 parsed_2ley 1
63 1 . . . . . 2.970 1.800 4.140 parsed_2ley 1
64 1 . . . . . 2.210 1.800 2.620 parsed_2ley 1
65 1 . . . . . 2.550 1.800 3.300 parsed_2ley 1
66 1 . . . . . 3.200 1.800 4.600 parsed_2ley 1
67 1 . . . . . 2.720 1.800 3.640 parsed_2ley 1
68 1 . . . . . 2.720 1.800 3.640 parsed_2ley 1
69 1 . . . . . 2.735 1.800 3.670 parsed_2ley 1
70 1 . . . . . 3.650 1.800 5.500 parsed_2ley 1
71 1 . . . . . 2.115 1.800 2.430 parsed_2ley 1
72 1 . . . . . 2.905 1.800 4.010 parsed_2ley 1
73 1 . . . . . 2.100 1.800 2.400 parsed_2ley 1
74 1 . . . . . 4.090 1.800 6.380 parsed_2ley 1
75 1 . . . . . 4.090 1.800 6.380 parsed_2ley 1
76 1 . . . . . 2.845 1.800 3.890 parsed_2ley 1
77 1 . . . . . 4.090 1.800 6.380 parsed_2ley 1
78 1 . . . . . 3.670 1.800 5.540 parsed_2ley 1
79 1 . . . . . 4.720 1.800 7.640 parsed_2ley 1
80 1 . . . . . 4.360 1.800 6.920 parsed_2ley 1
81 1 . . . . . 4.925 1.800 8.050 parsed_2ley 1
82 1 . . . . . 4.280 1.800 6.760 parsed_2ley 1
83 1 . . . . . 4.270 1.800 6.740 parsed_2ley 1
84 1 . . . . . 4.715 1.800 7.630 parsed_2ley 1
85 1 . . . . . 3.245 1.800 4.690 parsed_2ley 1
86 1 . . . . . 4.005 1.800 6.210 parsed_2ley 1
87 1 . . . . . 4.365 1.800 6.930 parsed_2ley 1
88 1 . . . . . 4.005 1.800 6.210 parsed_2ley 1
89 1 . . . . . 4.365 1.800 6.930 parsed_2ley 1
90 1 . . . . . 4.505 1.800 7.210 parsed_2ley 1
91 1 . . . . . 4.495 1.800 7.190 parsed_2ley 1
92 1 . . . . . 4.395 1.800 6.990 parsed_2ley 1
93 1 . . . . . 4.690 1.800 7.580 parsed_2ley 1
94 1 . . . . . 4.715 1.800 7.630 parsed_2ley 1
95 1 . . . . . 2.860 1.800 3.920 parsed_2ley 1
96 1 . . . . . 2.860 1.800 3.920 parsed_2ley 1
97 1 . . . . . 3.935 1.800 6.070 parsed_2ley 1
98 1 . . . . . 3.965 1.800 6.130 parsed_2ley 1
99 1 . . . . . 3.245 1.800 4.690 parsed_2ley 1
100 1 . . . . . 3.480 1.800 5.160 parsed_2ley 1
101 1 . . . . . 3.480 1.800 5.160 parsed_2ley 1
102 1 . . . . . 2.440 1.800 3.080 parsed_2ley 1
103 1 . . . . . 2.440 1.800 3.080 parsed_2ley 1
104 1 . . . . . 5.150 1.800 8.500 parsed_2ley 1
105 1 . . . . . 5.150 1.800 8.500 parsed_2ley 1
106 1 . . . . . 4.720 1.800 7.640 parsed_2ley 1
107 1 . . . . . 3.650 1.800 5.500 parsed_2ley 1
108 1 . . . . . 4.530 1.800 7.260 parsed_2ley 1
109 1 . . . . . 5.155 1.800 8.510 parsed_2ley 1
110 1 . . . . . 4.720 1.800 7.640 parsed_2ley 1
111 1 . . . . . 3.295 1.800 4.790 parsed_2ley 1
112 1 . . . . . 4.045 1.800 6.290 parsed_2ley 1
113 1 . . . . . 3.840 1.800 5.880 parsed_2ley 1
114 1 . . . . . 4.715 1.800 7.630 parsed_2ley 1
115 1 . . . . . 3.590 1.800 5.380 parsed_2ley 1
116 1 . . . . . 4.715 1.800 7.630 parsed_2ley 1
117 1 . . . . . 3.780 1.800 5.760 parsed_2ley 1
118 1 . . . . . 4.165 1.800 6.530 parsed_2ley 1
119 1 . . . . . 4.230 1.800 6.660 parsed_2ley 1
120 1 . . . . . 4.625 1.800 7.450 parsed_2ley 1
121 1 . . . . . 4.570 1.800 7.340 parsed_2ley 1
122 1 . . . . . 3.940 1.800 6.080 parsed_2ley 1
123 1 . . . . . 4.670 1.800 7.540 parsed_2ley 1
124 1 . . . . . 3.225 1.800 4.650 parsed_2ley 1
125 1 . . . . . 4.290 1.800 6.780 parsed_2ley 1
126 1 . . . . . 3.920 1.800 6.040 parsed_2ley 1
127 1 . . . . . 2.310 1.800 2.820 parsed_2ley 1
128 1 . . . . . 5.150 1.800 8.500 parsed_2ley 1
129 1 . . . . . 5.150 1.800 8.500 parsed_2ley 1
130 1 . . . . . 4.090 1.800 6.380 parsed_2ley 1
131 1 . . . . . 2.850 1.800 3.900 parsed_2ley 1
132 1 . . . . . 4.090 1.800 6.380 parsed_2ley 1
133 1 . . . . . 2.865 1.800 3.930 parsed_2ley 1
134 1 . . . . . 4.090 1.800 6.380 parsed_2ley 1
135 1 . . . . . 4.400 1.800 7.000 parsed_2ley 1
136 1 . . . . . 5.155 1.800 8.510 parsed_2ley 1
137 1 . . . . . 2.500 1.800 3.200 parsed_2ley 1
138 1 . . . . . 2.390 1.800 2.980 parsed_2ley 1
139 1 . . . . . 5.150 1.800 8.500 parsed_2ley 1
140 1 . . . . . 2.320 1.800 2.840 parsed_2ley 1
141 1 . . . . . 3.595 1.800 5.390 parsed_2ley 1
142 1 . . . . . 3.420 1.800 5.040 parsed_2ley 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ley
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2ley 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2ley 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2ley 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2ley 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2ley 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2ley 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2ley 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2ley 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2ley 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2ley 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2ley 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2ley 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2ley 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2ley 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2ley 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2ley 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 90.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2ley 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2ley 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2ley 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2ley 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2ley 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2ley 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2ley 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . N . 4 . CA . 4 . CB . 4 . SG parsed_2ley 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_2ley 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 10 . N . 10 . CA . 10 . CB . 10 . CG parsed_2ley 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . N . 11 . CA . 11 . CB . 11 . SG parsed_2ley 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 25 . N . 25 . CA . 25 . CB . 25 . CG parsed_2ley 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 27 . N . 27 . CA . 27 . CB . 27 . CG parsed_2ley 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 28 . N . 28 . CA . 28 . CB . 28 . SG parsed_2ley 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 29 . N . 29 . CA . 29 . CB . 29 . SG parsed_2ley 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
;
phi angles
! LEU 2
assign (resid 1 and name C ) (resid 2 and name N )
(resid 2 and name CA) (resid 2 and name C ) 1 -100.0 80.0 2
! LEU 3
;
1 1 6 12 parsed_2ley 1
2 "! CYS 4" 9 2 9 13 parsed_2ley 1
3 "! TYR 5" 12 2 12 12 parsed_2ley 1
4 "! CYS 6" 15 2 15 15 parsed_2ley 1
5
;
! ARG 7
assign (resid 6 and name C ) (resid 7 and name N )
(resid 7 and name CA) (resid 7 and name C ) 1 -120.0 30.0 2
! LYS 8
;
18 2 21 15 parsed_2ley 1
6 "! HIS 10" 24 2 24 15 parsed_2ley 1
7 "! CYS 11" 27 2 27 15 parsed_2ley 1
8 "! LYS 12" 30 2 30 15 parsed_2ley 1
9 "! ARG 13" 33 2 33 15 parsed_2ley 1
10 "! GLU 15" 36 2 36 13 parsed_2ley 1
11 "! ARG 16" 39 2 39 14 parsed_2ley 1
12 "! VAL 17" 42 2 42 14 parsed_2ley 1
13 "! ARG 18" 45 2 45 14 parsed_2ley 1
14 "! 20 THR" 48 2 48 14 parsed_2ley 1
15 "! CYS 21" 51 2 51 14 parsed_2ley 1
16 "! ILE 23" 54 2 54 14 parsed_2ley 1
17 "! ARG 24" 57 2 57 14 parsed_2ley 1
18 "! PHE 25" 60 2 60 14 parsed_2ley 1
19 "! LEU 26" 63 2 63 16 parsed_2ley 1
20 "! TYR 27" 66 2 66 16 parsed_2ley 1
21 "! CYS 28" 69 2 69 16 parsed_2ley 1
22 "! CYS 29" 72 2 72 16 parsed_2ley 1
23 "! ARG 31" 75 2 75 16 parsed_2ley 1
24
;
chi Angles
! Cys 4
;
79 1 81 15 parsed_2ley 1
25 "! Tyr 5" 84 2 84 14 parsed_2ley 1
26
;
! Cys 6
assign (resid 6 and name N ) (resid 6 and name CA)
(resid 6 and name CB) (resid 6 and name SG) 1 -180.0 30.0 2
! His 10
;
87 3 90 17 parsed_2ley 1
27 "! Cys 11" 93 3 93 17 parsed_2ley 1
28
;
! Arg 13
assign (resid 13 and name N ) (resid 13 and name CA)
(resid 13 and name CB) (resid 13 and name CG) 1 60.0 30.0 2
! Asp 15
assign (resid 15 and name N ) (resid 15 and name CA)
(resid 15 and name CB) (resid 15 and name CG) 1 -180.0 30.0 2
! Arg 18
assign (resid 18 and name N ) (resid 18 and name CA)
(resid 18 and name CB) (resid 18 and name CG) 1 -60.0 30.0 2
! Cys 21
assign (resid 21 and name N ) (resid 21 and name CA)
(resid 21 and name CB) (resid 21 and name SG) 1 60.0 30.0 2
! Tyr 25
;
96 2 108 15 parsed_2ley 1
29
;
! Leu 26
assign (resid 26 and name N ) (resid 26 and name CA)
(resid 26 and name CB) (resid 26 and name CG) 1 -60.0 30.0 2
! Tyr 27
;
111 2 114 17 parsed_2ley 1
30 "! Cys 28" 117 2 117 16 parsed_2ley 1
31 "! Cys 29" 120 2 120 16 parsed_2ley 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ley
_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_2ley 2
2 1 . . . parsed_2ley 2
3 1 . . . parsed_2ley 2
4 1 . . . parsed_2ley 2
5 1 . . . parsed_2ley 2
6 1 . . . parsed_2ley 2
7 1 . . . parsed_2ley 2
8 1 . . . parsed_2ley 2
9 1 . . . parsed_2ley 2
10 1 . . . parsed_2ley 2
11 1 . . . parsed_2ley 2
12 1 . . . parsed_2ley 2
13 1 . . . parsed_2ley 2
14 1 . . . parsed_2ley 2
15 1 . . . parsed_2ley 2
16 1 . . . parsed_2ley 2
17 1 . . . parsed_2ley 2
18 1 . . . parsed_2ley 2
19 1 . . . parsed_2ley 2
20 1 . . . parsed_2ley 2
21 1 . . . parsed_2ley 2
22 1 . . . parsed_2ley 2
23 1 . . . parsed_2ley 2
24 1 . . . parsed_2ley 2
25 1 . . . parsed_2ley 2
26 1 . . . parsed_2ley 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_2ley 2
1 1 2 . . . . . . . . . 28 . O parsed_2ley 2
2 1 1 . . . . . . . . . 5 . N parsed_2ley 2
2 1 2 . . . . . . . . . 28 . O parsed_2ley 2
3 1 1 . . . . . . . . . 28 . HN parsed_2ley 2
3 1 2 . . . . . . . . . 5 . O parsed_2ley 2
4 1 1 . . . . . . . . . 28 . N parsed_2ley 2
4 1 2 . . . . . . . . . 5 . O parsed_2ley 2
5 1 1 . . . . . . . . . 7 . HN parsed_2ley 2
5 1 2 . . . . . . . . . 26 . O parsed_2ley 2
6 1 1 . . . . . . . . . 7 . N parsed_2ley 2
6 1 2 . . . . . . . . . 26 . O parsed_2ley 2
7 1 1 . . . . . . . . . 26 . HN parsed_2ley 2
7 1 2 . . . . . . . . . 7 . O parsed_2ley 2
8 1 1 . . . . . . . . . 26 . N parsed_2ley 2
8 1 2 . . . . . . . . . 7 . O parsed_2ley 2
9 1 1 . . . . . . . . . 12 . HN parsed_2ley 2
9 1 2 . . . . . . . . . 15 . OE1 parsed_2ley 2
9 1 2 . . . . . . . . . 15 . OE2 parsed_2ley 2
10 1 1 . . . . . . . . . 12 . N parsed_2ley 2
10 1 2 . . . . . . . . . 15 . OE1 parsed_2ley 2
10 1 2 . . . . . . . . . 15 . OE2 parsed_2ley 2
11 1 1 . . . . . . . . . 15 . HN parsed_2ley 2
11 1 2 . . . . . . . . . 12 . O parsed_2ley 2
12 1 1 . . . . . . . . . 15 . N parsed_2ley 2
12 1 2 . . . . . . . . . 12 . O parsed_2ley 2
13 1 1 . . . . . . . . . 16 . HN parsed_2ley 2
13 1 2 . . . . . . . . . 29 . O parsed_2ley 2
14 1 1 . . . . . . . . . 16 . N parsed_2ley 2
14 1 2 . . . . . . . . . 29 . O parsed_2ley 2
15 1 1 . . . . . . . . . 29 . HN parsed_2ley 2
15 1 2 . . . . . . . . . 16 . O parsed_2ley 2
16 1 1 . . . . . . . . . 29 . N parsed_2ley 2
16 1 2 . . . . . . . . . 16 . O parsed_2ley 2
17 1 1 . . . . . . . . . 27 . HN parsed_2ley 2
17 1 2 . . . . . . . . . 19 . O parsed_2ley 2
18 1 1 . . . . . . . . . 27 . N parsed_2ley 2
18 1 2 . . . . . . . . . 19 . O parsed_2ley 2
19 1 1 . . . . . . . . . 21 . HN parsed_2ley 2
19 1 2 . . . . . . . . . 25 . O parsed_2ley 2
20 1 1 . . . . . . . . . 21 . N parsed_2ley 2
20 1 2 . . . . . . . . . 25 . O parsed_2ley 2
21 1 1 . . . . . . . . . 25 . HN parsed_2ley 2
21 1 2 . . . . . . . . . 22 . O parsed_2ley 2
22 1 1 . . . . . . . . . 25 . N parsed_2ley 2
22 1 2 . . . . . . . . . 22 . O parsed_2ley 2
23 1 1 . . . . . . . . . 18 . HN parsed_2ley 2
23 1 2 . . . . . . . . . 27 . O parsed_2ley 2
24 1 1 . . . . . . . . . 18 . N parsed_2ley 2
24 1 2 . . . . . . . . . 27 . O parsed_2ley 2
25 1 1 . . . . . . . . . 10 . HN parsed_2ley 2
25 1 2 . . . . . . . . . 8 . O parsed_2ley 2
26 1 1 . . . . . . . . . 10 . N parsed_2ley 2
26 1 2 . . . . . . . . . 8 . O parsed_2ley 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_2ley 2
2 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2
3 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2
4 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2
5 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2
6 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2
7 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2
8 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2
9 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2
10 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2
11 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2
12 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2
13 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2
14 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2
15 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2
16 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2
17 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2
18 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2
19 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2
20 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2
21 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2
22 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2
23 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2
24 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2
25 1 . . . . . 1.900 1.800 2.000 parsed_2ley 2
26 1 . . . . . 2.400 1.800 3.000 parsed_2ley 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 hbond 1 2 1 14 parsed_2ley 2
stop_
save_
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