NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
35288 |
1laq   |
cing | 2-parsed | STAR | distance | NOE | ambi | 140 |
data_1laq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1laq
_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_1laq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1laq
_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 1laq "Master copy" parsed_1laq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1laq
_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 1laq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 3 distance NOE ambi 182 parsed_1laq 1
1 1laq.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 5 distance NOE ambi 140 parsed_1laq 1
1 1laq.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 7 distance NOE ambi 0 parsed_1laq 1
1 1laq.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 9 distance NOE ambi 0 parsed_1laq 1
1 1laq.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1laq 1
1 1laq.mr . . "MR format" 17 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1laq 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1laq
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_1laq 1
2 1 . . . parsed_1laq 1
3 1 . . . parsed_1laq 1
4 1 . . . parsed_1laq 1
5 1 . . . parsed_1laq 1
6 1 . . . parsed_1laq 1
7 1 . . . parsed_1laq 1
8 1 . . . parsed_1laq 1
9 1 . . . parsed_1laq 1
10 1 . . . parsed_1laq 1
11 1 . . . parsed_1laq 1
12 1 . . . parsed_1laq 1
13 1 . . . parsed_1laq 1
14 1 . . . parsed_1laq 1
15 1 . . . parsed_1laq 1
16 1 . . . parsed_1laq 1
17 1 . . . parsed_1laq 1
18 1 . . . parsed_1laq 1
19 1 . . . parsed_1laq 1
20 1 . . . parsed_1laq 1
21 1 . . . parsed_1laq 1
22 1 . . . parsed_1laq 1
23 1 . . . parsed_1laq 1
24 1 . . . parsed_1laq 1
25 1 . . . parsed_1laq 1
26 1 . . . parsed_1laq 1
27 1 . . . parsed_1laq 1
28 1 . . . parsed_1laq 1
29 1 . . . parsed_1laq 1
30 1 . . . parsed_1laq 1
31 1 . . . parsed_1laq 1
32 1 . . . parsed_1laq 1
33 1 . . . parsed_1laq 1
34 1 . . . parsed_1laq 1
35 1 . . . parsed_1laq 1
36 1 . . . parsed_1laq 1
37 1 . . . parsed_1laq 1
38 1 . . . parsed_1laq 1
39 1 . . . parsed_1laq 1
40 1 . . . parsed_1laq 1
41 1 . . . parsed_1laq 1
42 1 . . . parsed_1laq 1
43 1 . . . parsed_1laq 1
44 1 . . . parsed_1laq 1
45 1 . . . parsed_1laq 1
46 1 . . . parsed_1laq 1
47 1 . . . parsed_1laq 1
48 1 . . . parsed_1laq 1
49 1 . . . parsed_1laq 1
50 1 . . . parsed_1laq 1
51 1 . . . parsed_1laq 1
52 1 . . . parsed_1laq 1
53 1 . . . parsed_1laq 1
54 1 . . . parsed_1laq 1
55 1 . . . parsed_1laq 1
56 1 . . . parsed_1laq 1
57 1 . . . parsed_1laq 1
58 1 . . . parsed_1laq 1
59 1 . . . parsed_1laq 1
60 1 . . . parsed_1laq 1
61 1 . . . parsed_1laq 1
62 1 . . . parsed_1laq 1
63 1 . . . parsed_1laq 1
64 1 . . . parsed_1laq 1
65 1 . . . parsed_1laq 1
66 1 . . . parsed_1laq 1
67 1 . . . parsed_1laq 1
68 1 . . . parsed_1laq 1
69 1 . . . parsed_1laq 1
70 1 . . . parsed_1laq 1
71 1 . . . parsed_1laq 1
72 1 . . . parsed_1laq 1
73 1 . . . parsed_1laq 1
74 1 . . . parsed_1laq 1
75 1 . . . parsed_1laq 1
76 1 . . . parsed_1laq 1
77 1 . . . parsed_1laq 1
78 1 . . . parsed_1laq 1
79 1 . . . parsed_1laq 1
80 1 . . . parsed_1laq 1
81 1 . . . parsed_1laq 1
82 1 . . . parsed_1laq 1
83 1 . . . parsed_1laq 1
84 1 . . . parsed_1laq 1
85 1 . . . parsed_1laq 1
86 1 . . . parsed_1laq 1
87 1 . . . parsed_1laq 1
88 1 . . . parsed_1laq 1
89 1 . . . parsed_1laq 1
90 1 . . . parsed_1laq 1
91 1 . . . parsed_1laq 1
92 1 . . . parsed_1laq 1
93 1 . . . parsed_1laq 1
94 1 . . . parsed_1laq 1
95 1 . . . parsed_1laq 1
96 1 . . . parsed_1laq 1
97 1 . . . parsed_1laq 1
98 1 . . . parsed_1laq 1
99 1 . . . parsed_1laq 1
100 1 . . . parsed_1laq 1
101 1 . . . parsed_1laq 1
102 1 . . . parsed_1laq 1
103 1 . . . parsed_1laq 1
104 1 . . . parsed_1laq 1
105 1 . . . parsed_1laq 1
106 1 . . . parsed_1laq 1
107 1 . . . parsed_1laq 1
108 1 . . . parsed_1laq 1
109 1 . . . parsed_1laq 1
110 1 . . . parsed_1laq 1
111 1 . . . parsed_1laq 1
112 1 . . . parsed_1laq 1
113 1 . . . parsed_1laq 1
114 1 . . . parsed_1laq 1
115 1 . . . parsed_1laq 1
116 1 . . . parsed_1laq 1
117 1 . . . parsed_1laq 1
118 1 . . . parsed_1laq 1
119 1 . . . parsed_1laq 1
120 1 . . . parsed_1laq 1
121 1 . . . parsed_1laq 1
122 1 . . . parsed_1laq 1
123 1 . . . parsed_1laq 1
124 1 . . . parsed_1laq 1
125 1 . . . parsed_1laq 1
126 1 . . . parsed_1laq 1
127 1 . . . parsed_1laq 1
128 1 . . . parsed_1laq 1
129 1 . . . parsed_1laq 1
130 1 . . . parsed_1laq 1
131 1 . . . parsed_1laq 1
132 1 . . . parsed_1laq 1
133 1 . . . parsed_1laq 1
134 1 . . . parsed_1laq 1
135 1 . . . parsed_1laq 1
136 1 . . . parsed_1laq 1
137 1 . . . parsed_1laq 1
138 1 . . . parsed_1laq 1
139 1 . . . parsed_1laq 1
140 1 . . . parsed_1laq 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 . . . . . . . . . 1 . H6 parsed_1laq 1
1 1 2 . . . . . . . . . 1 . H2'' parsed_1laq 1
2 1 1 . . . . . . . . . 1 . H5 parsed_1laq 1
2 1 2 . . . . . . . . . 1 . H2' parsed_1laq 1
3 1 1 . . . . . . . . . 1 . H1' parsed_1laq 1
3 1 2 . . . . . . . . . 1 . H3' parsed_1laq 1
4 1 1 . . . . . . . . . 1 . H2'' parsed_1laq 1
4 1 2 . . . . . . . . . 1 . H3' parsed_1laq 1
5 1 1 . . . . . . . . . 1 . H1' parsed_1laq 1
5 1 2 . . . . . . . . . 2 . H4' parsed_1laq 1
6 1 1 . . . . . . . . . 2 . H1' parsed_1laq 1
6 1 2 . . . . . . . . . 2 . H4' parsed_1laq 1
7 1 1 . . . . . . . . . 3 . H6 parsed_1laq 1
7 1 2 . . . . . . . . . 2 . H1' parsed_1laq 1
8 1 1 . . . . . . . . . 3 . H6 parsed_1laq 1
8 1 2 . . . . . . . . . 2 . H3' parsed_1laq 1
9 1 1 . . . . . . . . . 3 . H6 parsed_1laq 1
9 1 2 . . . . . . . . . 2 . H4' parsed_1laq 1
10 1 1 . . . . . . . . . 3 . H5 parsed_1laq 1
10 1 2 . . . . . . . . . 2 . H1' parsed_1laq 1
11 1 1 . . . . . . . . . 3 . H5 parsed_1laq 1
11 1 2 . . . . . . . . . 2 . H2'' parsed_1laq 1
12 1 1 . . . . . . . . . 3 . H5 parsed_1laq 1
12 1 2 . . . . . . . . . 3 . H2' parsed_1laq 1
13 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1
13 1 2 . . . . . . . . . 3 . H1' parsed_1laq 1
14 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1
14 1 2 . . . . . . . . . 3 . H3' parsed_1laq 1
15 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1
15 1 2 . . . . . . . . . 4 . H1' parsed_1laq 1
16 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1
16 1 2 . . . . . . . . . 4 . H2' parsed_1laq 1
17 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1
17 1 2 . . . . . . . . . 4 . H5' parsed_1laq 1
18 1 1 . . . . . . . . . 4 . H8 parsed_1laq 1
18 1 2 . . . . . . . . . 4 . H5'' parsed_1laq 1
19 1 1 . . . . . . . . . 5 . H8 parsed_1laq 1
19 1 2 . . . . . . . . . 4 . H2' parsed_1laq 1
20 1 1 . . . . . . . . . 5 . H8 parsed_1laq 1
20 1 2 . . . . . . . . . 5 . H1' parsed_1laq 1
21 1 1 . . . . . . . . . 5 . H8 parsed_1laq 1
21 1 2 . . . . . . . . . 5 . H2' parsed_1laq 1
22 1 1 . . . . . . . . . 5 . H8 parsed_1laq 1
22 1 2 . . . . . . . . . 5 . H2'' parsed_1laq 1
23 1 1 . . . . . . . . . 6 . H6 parsed_1laq 1
23 1 2 . . . . . . . . . 5 . H1' parsed_1laq 1
24 1 1 . . . . . . . . . 6 . H5# parsed_1laq 1
24 1 2 . . . . . . . . . 5 . H2'' parsed_1laq 1
25 1 1 . . . . . . . . . 6 . H6 parsed_1laq 1
25 1 2 . . . . . . . . . 6 . H1' parsed_1laq 1
26 1 1 . . . . . . . . . 6 . H5# parsed_1laq 1
26 1 2 . . . . . . . . . 6 . H1' parsed_1laq 1
27 1 1 . . . . . . . . . 7 . H8A1 parsed_1laq 1
27 1 2 . . . . . . . . . 6 . H6 parsed_1laq 1
28 1 1 . . . . . . . . . 7 . H7A1 parsed_1laq 1
28 1 2 . . . . . . . . . 6 . H6 parsed_1laq 1
29 1 1 . . . . . . . . . 7 . H6A1 parsed_1laq 1
29 1 1 . . . . . . . . . 7 . H6A2 parsed_1laq 1
29 1 2 . . . . . . . . . 6 . H5# parsed_1laq 1
30 1 1 . . . . . . . . . 7 . H8A2 parsed_1laq 1
30 1 2 . . . . . . . . . 6 . H5# parsed_1laq 1
31 1 1 . . . . . . . . . 7 . H7A2 parsed_1laq 1
31 1 2 . . . . . . . . . 6 . H5# parsed_1laq 1
32 1 1 . . . . . . . . . 7 . H7A1 parsed_1laq 1
32 1 2 . . . . . . . . . 6 . H5# parsed_1laq 1
33 1 1 . . . . . . . . . 7 . H8A2 parsed_1laq 1
33 1 2 . . . . . . . . . 7 . H7A1 parsed_1laq 1
34 1 1 . . . . . . . . . 7 . H8A1 parsed_1laq 1
34 1 2 . . . . . . . . . 7 . H7A1 parsed_1laq 1
35 1 1 . . . . . . . . . 7 . H8A2 parsed_1laq 1
35 1 2 . . . . . . . . . 7 . H7A2 parsed_1laq 1
36 1 1 . . . . . . . . . 7 . H8A1 parsed_1laq 1
36 1 2 . . . . . . . . . 7 . H7A2 parsed_1laq 1
37 1 1 . . . . . . . . . 7 . H6A1 parsed_1laq 1
37 1 1 . . . . . . . . . 7 . H6A2 parsed_1laq 1
37 1 2 . . . . . . . . . 7 . H7A2 parsed_1laq 1
38 1 1 . . . . . . . . . 7 . H6A1 parsed_1laq 1
38 1 1 . . . . . . . . . 7 . H6A2 parsed_1laq 1
38 1 2 . . . . . . . . . 7 . H7A1 parsed_1laq 1
39 1 1 . . . . . . . . . 8 . H6 parsed_1laq 1
39 1 2 . . . . . . . . . 7 . H1' parsed_1laq 1
40 1 1 . . . . . . . . . 7 . H2' parsed_1laq 1
40 1 1 . . . . . . . . . 7 . H2'' parsed_1laq 1
40 1 2 . . . . . . . . . 8 . H6 parsed_1laq 1
41 1 1 . . . . . . . . . 7 . H2' parsed_1laq 1
41 1 1 . . . . . . . . . 7 . H2'' parsed_1laq 1
41 1 2 . . . . . . . . . 8 . H5# parsed_1laq 1
42 1 1 . . . . . . . . . 8 . H6 parsed_1laq 1
42 1 2 . . . . . . . . . 8 . H1' parsed_1laq 1
43 1 1 . . . . . . . . . 8 . H6 parsed_1laq 1
43 1 2 . . . . . . . . . 8 . H5# parsed_1laq 1
44 1 1 . . . . . . . . . 8 . H5# parsed_1laq 1
44 1 2 . . . . . . . . . 8 . H1' parsed_1laq 1
45 1 1 . . . . . . . . . 8 . H5# parsed_1laq 1
45 1 2 . . . . . . . . . 8 . H3' parsed_1laq 1
46 1 1 . . . . . . . . . 8 . H1' parsed_1laq 1
46 1 2 . . . . . . . . . 9 . H2' parsed_1laq 1
47 1 1 . . . . . . . . . 9 . H6 parsed_1laq 1
47 1 2 . . . . . . . . . 8 . H1' parsed_1laq 1
48 1 1 . . . . . . . . . 9 . H6 parsed_1laq 1
48 1 2 . . . . . . . . . 9 . H1' parsed_1laq 1
49 1 1 . . . . . . . . . 9 . H5 parsed_1laq 1
49 1 2 . . . . . . . . . 9 . H2' parsed_1laq 1
50 1 1 . . . . . . . . . 10 . H6 parsed_1laq 1
50 1 2 . . . . . . . . . 9 . H1' parsed_1laq 1
51 1 1 . . . . . . . . . 10 . H6 parsed_1laq 1
51 1 2 . . . . . . . . . 9 . H3' parsed_1laq 1
52 1 1 . . . . . . . . . 10 . H6 parsed_1laq 1
52 1 2 . . . . . . . . . 10 . H2' parsed_1laq 1
53 1 1 . . . . . . . . . 10 . H6 parsed_1laq 1
53 1 2 . . . . . . . . . 10 . H3' parsed_1laq 1
54 1 1 . . . . . . . . . 10 . H1' parsed_1laq 1
54 1 2 . . . . . . . . . 10 . H3' parsed_1laq 1
55 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1
55 1 2 . . . . . . . . . 10 . H2'' parsed_1laq 1
56 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1
56 1 2 . . . . . . . . . 10 . H3' parsed_1laq 1
57 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1
57 1 2 . . . . . . . . . 10 . H6 parsed_1laq 1
58 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1
58 1 2 . . . . . . . . . 11 . H2' parsed_1laq 1
59 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1
59 1 2 . . . . . . . . . 11 . H2'' parsed_1laq 1
60 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1
60 1 2 . . . . . . . . . 11 . H5' parsed_1laq 1
61 1 1 . . . . . . . . . 11 . H8 parsed_1laq 1
61 1 2 . . . . . . . . . 11 . H5'' parsed_1laq 1
62 1 1 . . . . . . . . . 12 . H6 parsed_1laq 1
62 1 2 . . . . . . . . . 11 . H2'' parsed_1laq 1
63 1 1 . . . . . . . . . 12 . H6 parsed_1laq 1
63 1 2 . . . . . . . . . 11 . H4' parsed_1laq 1
64 1 1 . . . . . . . . . 12 . H6 parsed_1laq 1
64 1 2 . . . . . . . . . 11 . H8 parsed_1laq 1
65 1 1 . . . . . . . . . 12 . H5 parsed_1laq 1
65 1 2 . . . . . . . . . 11 . H1' parsed_1laq 1
66 1 1 . . . . . . . . . 12 . H5 parsed_1laq 1
66 1 2 . . . . . . . . . 11 . H2' parsed_1laq 1
67 1 1 . . . . . . . . . 12 . H5 parsed_1laq 1
67 1 2 . . . . . . . . . 11 . H2'' parsed_1laq 1
68 1 1 . . . . . . . . . 12 . H6 parsed_1laq 1
68 1 2 . . . . . . . . . 12 . H2' parsed_1laq 1
69 1 1 . . . . . . . . . 12 . H6 parsed_1laq 1
69 1 2 . . . . . . . . . 12 . H3' parsed_1laq 1
70 1 1 . . . . . . . . . 12 . H1' parsed_1laq 1
70 1 2 . . . . . . . . . 12 . H2' parsed_1laq 1
71 1 1 . . . . . . . . . 13 . H8 parsed_1laq 1
71 1 2 . . . . . . . . . 12 . H3' parsed_1laq 1
72 1 1 . . . . . . . . . 13 . H8 parsed_1laq 1
72 1 2 . . . . . . . . . 12 . H6 parsed_1laq 1
73 1 1 . . . . . . . . . 13 . H8 parsed_1laq 1
73 1 2 . . . . . . . . . 13 . H2' parsed_1laq 1
74 1 1 . . . . . . . . . 13 . H8 parsed_1laq 1
74 1 2 . . . . . . . . . 13 . H4' parsed_1laq 1
75 1 1 . . . . . . . . . 13 . H5' parsed_1laq 1
75 1 1 . . . . . . . . . 13 . H5'' parsed_1laq 1
75 1 2 . . . . . . . . . 13 . H8 parsed_1laq 1
76 1 1 . . . . . . . . . 13 . H2'' parsed_1laq 1
76 1 2 . . . . . . . . . 13 . H3' parsed_1laq 1
77 1 1 . . . . . . . . . 13 . H5' parsed_1laq 1
77 1 1 . . . . . . . . . 13 . H5'' parsed_1laq 1
77 1 2 . . . . . . . . . 13 . H3' parsed_1laq 1
78 1 1 . . . . . . . . . 14 . H6 parsed_1laq 1
78 1 2 . . . . . . . . . 14 . H2'' parsed_1laq 1
79 1 1 . . . . . . . . . 14 . H5 parsed_1laq 1
79 1 2 . . . . . . . . . 14 . H2' parsed_1laq 1
80 1 1 . . . . . . . . . 14 . H1' parsed_1laq 1
80 1 2 . . . . . . . . . 14 . H3' parsed_1laq 1
81 1 1 . . . . . . . . . 14 . H2'' parsed_1laq 1
81 1 2 . . . . . . . . . 14 . H3' parsed_1laq 1
82 1 1 . . . . . . . . . 15 . H1' parsed_1laq 1
82 1 2 . . . . . . . . . 15 . H4' parsed_1laq 1
83 1 1 . . . . . . . . . 15 . H1' parsed_1laq 1
83 1 2 . . . . . . . . . 16 . H4' parsed_1laq 1
84 1 1 . . . . . . . . . 16 . H6 parsed_1laq 1
84 1 2 . . . . . . . . . 15 . H1' parsed_1laq 1
85 1 1 . . . . . . . . . 16 . H6 parsed_1laq 1
85 1 2 . . . . . . . . . 15 . H3' parsed_1laq 1
86 1 1 . . . . . . . . . 16 . H6 parsed_1laq 1
86 1 2 . . . . . . . . . 15 . H4' parsed_1laq 1
87 1 1 . . . . . . . . . 16 . H5 parsed_1laq 1
87 1 2 . . . . . . . . . 15 . H1' parsed_1laq 1
88 1 1 . . . . . . . . . 16 . H5 parsed_1laq 1
88 1 2 . . . . . . . . . 15 . H2'' parsed_1laq 1
89 1 1 . . . . . . . . . 16 . H5 parsed_1laq 1
89 1 2 . . . . . . . . . 16 . H2' parsed_1laq 1
90 1 1 . . . . . . . . . 16 . H1' parsed_1laq 1
90 1 2 . . . . . . . . . 16 . H2' parsed_1laq 1
91 1 1 . . . . . . . . . 16 . H1' parsed_1laq 1
91 1 2 . . . . . . . . . 16 . H2'' parsed_1laq 1
92 1 1 . . . . . . . . . 17 . H8 parsed_1laq 1
92 1 2 . . . . . . . . . 17 . H2' parsed_1laq 1
93 1 1 . . . . . . . . . 18 . H8 parsed_1laq 1
93 1 2 . . . . . . . . . 17 . H1' parsed_1laq 1
94 1 1 . . . . . . . . . 18 . H8 parsed_1laq 1
94 1 2 . . . . . . . . . 18 . H1' parsed_1laq 1
95 1 1 . . . . . . . . . 18 . H5' parsed_1laq 1
95 1 1 . . . . . . . . . 18 . H5'' parsed_1laq 1
95 1 2 . . . . . . . . . 18 . H8 parsed_1laq 1
96 1 1 . . . . . . . . . 18 . H1' parsed_1laq 1
96 1 2 . . . . . . . . . 18 . H2' parsed_1laq 1
97 1 1 . . . . . . . . . 18 . H1' parsed_1laq 1
97 1 2 . . . . . . . . . 18 . H2'' parsed_1laq 1
98 1 1 . . . . . . . . . 18 . H1' parsed_1laq 1
98 1 2 . . . . . . . . . 18 . H3' parsed_1laq 1
99 1 1 . . . . . . . . . 19 . H8 parsed_1laq 1
99 1 2 . . . . . . . . . 19 . H3' parsed_1laq 1
100 1 1 . . . . . . . . . 19 . H2'' parsed_1laq 1
100 1 2 . . . . . . . . . 19 . H4' parsed_1laq 1
101 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1
101 1 2 . . . . . . . . . 19 . H1' parsed_1laq 1
102 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1
102 1 2 . . . . . . . . . 19 . H2' parsed_1laq 1
103 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1
103 1 2 . . . . . . . . . 19 . H2'' parsed_1laq 1
104 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1
104 1 2 . . . . . . . . . 20 . H1' parsed_1laq 1
105 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1
105 1 2 . . . . . . . . . 20 . H2' parsed_1laq 1
106 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1
106 1 2 . . . . . . . . . 20 . H2'' parsed_1laq 1
107 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1
107 1 2 . . . . . . . . . 20 . H3' parsed_1laq 1
108 1 1 . . . . . . . . . 20 . H6 parsed_1laq 1
108 1 2 . . . . . . . . . 20 . H5' parsed_1laq 1
109 1 1 . . . . . . . . . 21 . H8 parsed_1laq 1
109 1 2 . . . . . . . . . 20 . H3' parsed_1laq 1
110 1 1 . . . . . . . . . 21 . H8 parsed_1laq 1
110 1 2 . . . . . . . . . 21 . H3' parsed_1laq 1
111 1 1 . . . . . . . . . 21 . H2' parsed_1laq 1
111 1 1 . . . . . . . . . 21 . H2'' parsed_1laq 1
111 1 2 . . . . . . . . . 21 . H5' parsed_1laq 1
112 1 1 . . . . . . . . . 21 . H2' parsed_1laq 1
112 1 1 . . . . . . . . . 21 . H2'' parsed_1laq 1
112 1 2 . . . . . . . . . 22 . H6 parsed_1laq 1
113 1 1 . . . . . . . . . 22 . H6 parsed_1laq 1
113 1 2 . . . . . . . . . 22 . H2' parsed_1laq 1
114 1 1 . . . . . . . . . 22 . H1' parsed_1laq 1
114 1 2 . . . . . . . . . 22 . H2'' parsed_1laq 1
115 1 1 . . . . . . . . . 23 . H6 parsed_1laq 1
115 1 2 . . . . . . . . . 22 . H4' parsed_1laq 1
116 1 1 . . . . . . . . . 23 . H5 parsed_1laq 1
116 1 2 . . . . . . . . . 22 . H2' parsed_1laq 1
117 1 1 . . . . . . . . . 23 . H5 parsed_1laq 1
117 1 2 . . . . . . . . . 22 . H2'' parsed_1laq 1
118 1 1 . . . . . . . . . 23 . H5 parsed_1laq 1
118 1 2 . . . . . . . . . 23 . H2' parsed_1laq 1
119 1 1 . . . . . . . . . 23 . H1' parsed_1laq 1
119 1 2 . . . . . . . . . 23 . H3' parsed_1laq 1
120 1 1 . . . . . . . . . 24 . H8 parsed_1laq 1
120 1 2 . . . . . . . . . 23 . H2'' parsed_1laq 1
121 1 1 . . . . . . . . . 24 . H8 parsed_1laq 1
121 1 2 . . . . . . . . . 23 . H3' parsed_1laq 1
122 1 1 . . . . . . . . . 24 . H8 parsed_1laq 1
122 1 2 . . . . . . . . . 24 . H2' parsed_1laq 1
123 1 1 . . . . . . . . . 24 . H8 parsed_1laq 1
123 1 2 . . . . . . . . . 24 . H2'' parsed_1laq 1
124 1 1 . . . . . . . . . 24 . H8 parsed_1laq 1
124 1 2 . . . . . . . . . 24 . H5' parsed_1laq 1
125 1 1 . . . . . . . . . 24 . H8 parsed_1laq 1
125 1 2 . . . . . . . . . 24 . H5'' parsed_1laq 1
126 1 1 . . . . . . . . . 25 . H6 parsed_1laq 1
126 1 2 . . . . . . . . . 24 . H2'' parsed_1laq 1
127 1 1 . . . . . . . . . 25 . H6 parsed_1laq 1
127 1 2 . . . . . . . . . 24 . H4' parsed_1laq 1
128 1 1 . . . . . . . . . 25 . H6 parsed_1laq 1
128 1 2 . . . . . . . . . 24 . H8 parsed_1laq 1
129 1 1 . . . . . . . . . 25 . H5 parsed_1laq 1
129 1 2 . . . . . . . . . 24 . H1' parsed_1laq 1
130 1 1 . . . . . . . . . 25 . H5 parsed_1laq 1
130 1 2 . . . . . . . . . 24 . H2' parsed_1laq 1
131 1 1 . . . . . . . . . 25 . H5 parsed_1laq 1
131 1 2 . . . . . . . . . 24 . H2'' parsed_1laq 1
132 1 1 . . . . . . . . . 25 . H6 parsed_1laq 1
132 1 2 . . . . . . . . . 25 . H2' parsed_1laq 1
133 1 1 . . . . . . . . . 25 . H6 parsed_1laq 1
133 1 2 . . . . . . . . . 25 . H3' parsed_1laq 1
134 1 1 . . . . . . . . . 25 . H1' parsed_1laq 1
134 1 2 . . . . . . . . . 25 . H2' parsed_1laq 1
135 1 1 . . . . . . . . . 26 . H8 parsed_1laq 1
135 1 2 . . . . . . . . . 25 . H3' parsed_1laq 1
136 1 1 . . . . . . . . . 26 . H8 parsed_1laq 1
136 1 2 . . . . . . . . . 25 . H6 parsed_1laq 1
137 1 1 . . . . . . . . . 26 . H8 parsed_1laq 1
137 1 2 . . . . . . . . . 26 . H2' parsed_1laq 1
138 1 1 . . . . . . . . . 26 . H8 parsed_1laq 1
138 1 2 . . . . . . . . . 26 . H4' parsed_1laq 1
139 1 1 . . . . . . . . . 26 . H5' parsed_1laq 1
139 1 1 . . . . . . . . . 26 . H5'' parsed_1laq 1
139 1 2 . . . . . . . . . 26 . H8 parsed_1laq 1
140 1 1 . . . . . . . . . 26 . H5' parsed_1laq 1
140 1 1 . . . . . . . . . 26 . H5'' parsed_1laq 1
140 1 2 . . . . . . . . . 26 . H3' parsed_1laq 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 . . . . . 2.77 1.76 3.79 parsed_1laq 1
2 1 . . . . . 3.12 1.88 4.36 parsed_1laq 1
3 1 . . . . . 2.93 1.91 3.95 parsed_1laq 1
4 1 . . . . . 2.40 2.04 2.76 parsed_1laq 1
5 1 . . . . . 4.17 3.24 5.10 parsed_1laq 1
6 1 . . . . . 2.95 1.94 3.96 parsed_1laq 1
7 1 . . . . . 3.25 2.46 4.04 parsed_1laq 1
8 1 . . . . . 4.20 3.28 5.12 parsed_1laq 1
9 1 . . . . . 3.97 2.14 5.80 parsed_1laq 1
10 1 . . . . . 3.28 1.85 4.70 parsed_1laq 1
11 1 . . . . . 2.58 2.12 3.04 parsed_1laq 1
12 1 . . . . . 3.14 1.97 4.31 parsed_1laq 1
13 1 . . . . . 3.01 2.20 3.82 parsed_1laq 1
14 1 . . . . . 4.22 3.48 4.97 parsed_1laq 1
15 1 . . . . . 2.79 1.65 3.93 parsed_1laq 1
16 1 . . . . . 2.24 2.02 2.46 parsed_1laq 1
17 1 . . . . . 3.49 2.72 4.25 parsed_1laq 1
18 1 . . . . . 3.90 2.98 4.82 parsed_1laq 1
19 1 . . . . . 3.49 3.00 3.97 parsed_1laq 1
20 1 . . . . . 3.00 2.08 3.93 parsed_1laq 1
21 1 . . . . . 2.26 2.02 2.50 parsed_1laq 1
22 1 . . . . . 3.25 2.24 4.26 parsed_1laq 1
23 1 . . . . . 3.52 3.04 4.00 parsed_1laq 1
24 1 . . . . . 2.95 2.60 3.29 parsed_1laq 1
25 1 . . . . . 3.06 2.32 3.80 parsed_1laq 1
26 1 . . . . . 4.80 3.43 6.18 parsed_1laq 1
27 1 . . . . . 3.21 2.28 4.13 parsed_1laq 1
28 1 . . . . . 4.45 3.41 5.49 parsed_1laq 1
29 1 . . . . . 5.62 5.08 6.16 parsed_1laq 1
30 1 . . . . . 2.96 2.67 3.25 parsed_1laq 1
31 1 . . . . . 4.64 3.85 5.43 parsed_1laq 1
32 1 . . . . . 5.30 4.29 6.31 parsed_1laq 1
33 1 . . . . . 2.44 2.09 2.79 parsed_1laq 1
34 1 . . . . . 2.85 2.12 3.58 parsed_1laq 1
35 1 . . . . . 2.46 2.14 2.78 parsed_1laq 1
36 1 . . . . . 2.82 2.19 3.45 parsed_1laq 1
37 1 . . . . . 2.27 1.99 2.56 parsed_1laq 1
38 1 . . . . . 2.43 2.05 2.82 parsed_1laq 1
39 1 . . . . . 3.35 2.89 3.81 parsed_1laq 1
40 1 . . . . . 4.15 3.00 5.31 parsed_1laq 1
41 1 . . . . . 4.70 3.60 5.79 parsed_1laq 1
42 1 . . . . . 2.96 1.96 3.96 parsed_1laq 1
43 1 . . . . . 3.29 2.25 4.33 parsed_1laq 1
44 1 . . . . . 4.73 3.29 6.18 parsed_1laq 1
45 1 . . . . . 5.17 3.31 7.04 parsed_1laq 1
46 1 . . . . . 3.91 2.81 5.00 parsed_1laq 1
47 1 . . . . . 3.13 2.30 3.96 parsed_1laq 1
48 1 . . . . . 3.11 2.21 4.01 parsed_1laq 1
49 1 . . . . . 3.25 1.84 4.67 parsed_1laq 1
50 1 . . . . . 3.21 2.49 3.94 parsed_1laq 1
51 1 . . . . . 3.96 2.85 5.08 parsed_1laq 1
52 1 . . . . . 2.19 1.99 2.39 parsed_1laq 1
53 1 . . . . . 3.54 2.60 4.49 parsed_1laq 1
54 1 . . . . . 3.87 2.33 5.41 parsed_1laq 1
55 1 . . . . . 2.79 2.29 3.29 parsed_1laq 1
56 1 . . . . . 4.23 3.17 5.29 parsed_1laq 1
57 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1
58 1 . . . . . 2.17 2.01 2.32 parsed_1laq 1
59 1 . . . . . 3.00 2.10 3.90 parsed_1laq 1
60 1 . . . . . 3.25 2.66 3.85 parsed_1laq 1
61 1 . . . . . 3.83 2.83 4.83 parsed_1laq 1
62 1 . . . . . 2.51 2.30 2.73 parsed_1laq 1
63 1 . . . . . 4.45 3.09 5.80 parsed_1laq 1
64 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1
65 1 . . . . . 3.53 2.36 4.70 parsed_1laq 1
66 1 . . . . . 2.88 2.38 3.38 parsed_1laq 1
67 1 . . . . . 2.52 2.04 3.00 parsed_1laq 1
68 1 . . . . . 2.41 2.15 2.66 parsed_1laq 1
69 1 . . . . . 3.62 2.54 4.70 parsed_1laq 1
70 1 . . . . . 2.42 1.77 3.07 parsed_1laq 1
71 1 . . . . . 4.43 3.52 5.35 parsed_1laq 1
72 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1
73 1 . . . . . 2.25 2.09 2.41 parsed_1laq 1
74 1 . . . . . 4.62 3.38 5.86 parsed_1laq 1
75 1 . . . . . 4.02 3.03 5.02 parsed_1laq 1
76 1 . . . . . 2.44 2.19 2.69 parsed_1laq 1
77 1 . . . . . 2.78 2.06 3.49 parsed_1laq 1
78 1 . . . . . 2.89 2.04 3.74 parsed_1laq 1
79 1 . . . . . 3.76 2.50 5.02 parsed_1laq 1
80 1 . . . . . 2.92 1.89 3.94 parsed_1laq 1
81 1 . . . . . 2.31 1.95 2.68 parsed_1laq 1
82 1 . . . . . 3.00 1.97 4.04 parsed_1laq 1
83 1 . . . . . 4.14 3.18 5.10 parsed_1laq 1
84 1 . . . . . 3.27 2.42 4.12 parsed_1laq 1
85 1 . . . . . 4.16 3.27 5.05 parsed_1laq 1
86 1 . . . . . 3.92 2.03 5.80 parsed_1laq 1
87 1 . . . . . 3.29 1.88 4.70 parsed_1laq 1
88 1 . . . . . 2.49 2.06 2.92 parsed_1laq 1
89 1 . . . . . 3.26 2.06 4.47 parsed_1laq 1
90 1 . . . . . 2.35 1.75 2.95 parsed_1laq 1
91 1 . . . . . 2.21 2.11 2.31 parsed_1laq 1
92 1 . . . . . 2.43 2.04 2.82 parsed_1laq 1
93 1 . . . . . 3.09 2.20 3.98 parsed_1laq 1
94 1 . . . . . 2.95 2.01 3.89 parsed_1laq 1
95 1 . . . . . 3.81 3.11 4.51 parsed_1laq 1
96 1 . . . . . 2.97 2.32 3.63 parsed_1laq 1
97 1 . . . . . 2.12 1.96 2.27 parsed_1laq 1
98 1 . . . . . 3.56 2.67 4.45 parsed_1laq 1
99 1 . . . . . 3.44 2.40 4.48 parsed_1laq 1
100 1 . . . . . 4.47 3.23 5.72 parsed_1laq 1
101 1 . . . . . 3.50 3.01 3.98 parsed_1laq 1
102 1 . . . . . 3.47 3.00 3.94 parsed_1laq 1
103 1 . . . . . 2.65 2.30 3.00 parsed_1laq 1
104 1 . . . . . 3.42 2.80 4.04 parsed_1laq 1
105 1 . . . . . 2.87 2.45 3.29 parsed_1laq 1
106 1 . . . . . 3.29 2.33 4.25 parsed_1laq 1
107 1 . . . . . 3.61 2.77 4.44 parsed_1laq 1
108 1 . . . . . 3.40 2.63 4.17 parsed_1laq 1
109 1 . . . . . 3.67 2.34 5.00 parsed_1laq 1
110 1 . . . . . 3.54 2.60 4.47 parsed_1laq 1
111 1 . . . . . 3.25 2.22 4.28 parsed_1laq 1
112 1 . . . . . 3.42 3.00 3.84 parsed_1laq 1
113 1 . . . . . 2.33 2.03 2.62 parsed_1laq 1
114 1 . . . . . 2.08 1.97 2.19 parsed_1laq 1
115 1 . . . . . 4.29 2.78 5.80 parsed_1laq 1
116 1 . . . . . 2.75 1.87 3.63 parsed_1laq 1
117 1 . . . . . 2.61 2.16 3.06 parsed_1laq 1
118 1 . . . . . 3.43 2.14 4.72 parsed_1laq 1
119 1 . . . . . 3.96 2.44 5.49 parsed_1laq 1
120 1 . . . . . 2.63 2.30 2.96 parsed_1laq 1
121 1 . . . . . 4.43 3.28 5.59 parsed_1laq 1
122 1 . . . . . 2.17 1.99 2.36 parsed_1laq 1
123 1 . . . . . 2.93 2.12 3.74 parsed_1laq 1
124 1 . . . . . 3.17 2.71 3.63 parsed_1laq 1
125 1 . . . . . 3.75 2.73 4.77 parsed_1laq 1
126 1 . . . . . 2.52 2.30 2.74 parsed_1laq 1
127 1 . . . . . 4.21 2.61 5.80 parsed_1laq 1
128 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1
129 1 . . . . . 3.46 2.22 4.70 parsed_1laq 1
130 1 . . . . . 2.85 2.39 3.31 parsed_1laq 1
131 1 . . . . . 2.43 2.03 2.84 parsed_1laq 1
132 1 . . . . . 2.52 2.08 2.96 parsed_1laq 1
133 1 . . . . . 3.77 2.62 4.92 parsed_1laq 1
134 1 . . . . . 2.39 1.70 3.08 parsed_1laq 1
135 1 . . . . . 4.25 3.25 5.25 parsed_1laq 1
136 1 . . . . . 5.00 4.60 5.40 parsed_1laq 1
137 1 . . . . . 2.25 2.09 2.40 parsed_1laq 1
138 1 . . . . . 4.72 3.41 6.03 parsed_1laq 1
139 1 . . . . . 3.88 2.89 4.87 parsed_1laq 1
140 1 . . . . . 3.00 2.00 4.00 parsed_1laq 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 ub+1.5 1 81 1 91 parsed_1laq 1
2 ub+2 2 81 2 91 parsed_1laq 1
3 ub+1.5 3 81 3 91 parsed_1laq 1
4 ub+0.5 4 81 4 91 parsed_1laq 1
5
;
ub=5.1
assign ( resid 1 and name H2' )( resid 2 and name H5'' ) 3.65 0.77 0.77 ! OFF
assign ( resid 2 and name H8 )( resid 1 and name Q5' ) 4.75 1.12 1.12 ! OFF
;
5 81 7 93 parsed_1laq 1
6 ub+1.5 8 81 8 91 parsed_1laq 1
7 ub+0.5 9 81 9 91 parsed_1laq 1
8 ub+1 10 81 10 91 parsed_1laq 1
9 ub=5.8 11 81 11 91 parsed_1laq 1
10 ub=4.7 12 81 12 91 parsed_1laq 1
11 nc 13 81 13 91 parsed_1laq 1
12 ub+1.5 14 81 14 91 parsed_1laq 1
13 ub+0.5 15 81 15 91 parsed_1laq 1
14
;
nc
assign ( resid 4 and name H8 )( resid 3 and name Q5' ) 3.97 0.45 0.46 ! OFF
;
16 81 17 93 parsed_1laq 1
15 ub+0.8 18 81 18 91 parsed_1laq 1
16 nc 19 81 19 91 parsed_1laq 1
17 nc 20 81 20 91 parsed_1laq 1
18 nc 21 81 21 91 parsed_1laq 1
19 ub+0.5 22 81 22 91 parsed_1laq 1
20 ub+1.5 23 81 23 91 parsed_1laq 1
21 nc 24 81 24 91 parsed_1laq 1
22 ub+1 25 81 25 91 parsed_1laq 1
23 nc 26 81 26 91 parsed_1laq 1
24 nc 27 81 27 91 parsed_1laq 1
25 ub+0.5 28 81 28 91 parsed_1laq 1
26 ub+.02 29 81 29 91 parsed_1laq 1
27 nc 30 81 30 91 parsed_1laq 1
28 ub+0.5 31 81 31 91 parsed_1laq 1
29 nc 33 81 33 91 parsed_1laq 1
30 nc 34 81 34 91 parsed_1laq 1
31 nc 35 81 35 91 parsed_1laq 1
32 nc 36 81 36 91 parsed_1laq 1
33 nc 37 81 37 91 parsed_1laq 1
34 nc 38 81 38 91 parsed_1laq 1
35 nc 39 81 39 91 parsed_1laq 1
36 nc 40 81 40 91 parsed_1laq 1
37 nc 42 81 42 91 parsed_1laq 1
38
;
nc
assign ( resid 7 and name H8 )( resid 8 and name H5# ) 5.22 1.27 1.27 ! OFF
;
44 81 45 93 parsed_1laq 1
39 nc 46 81 46 91 parsed_1laq 1
40 lb-1 48 81 48 91 parsed_1laq 1
41 lb-1 50 81 50 91 parsed_1laq 1
42 ub+0.5 51 81 51 91 parsed_1laq 1
43 nc 52 81 52 91 parsed_1laq 1
44 ub+0.3 53 81 53 91 parsed_1laq 1
45 ub+1 54 81 54 91 parsed_1laq 1
46 ub=5 55 81 55 91 parsed_1laq 1
47 ub+1 56 81 56 91 parsed_1laq 1
48 ub+0.5 57 81 57 91 parsed_1laq 1
49
;
ub+1.5
assign ( resid 9 and name H5 )( resid 9 and name H3' ) 3.07 0.62 0.62 ! OFF
;
58 81 59 93 parsed_1laq 1
50 nc 60 81 60 91 parsed_1laq 1
51 ub+0.5 61 81 61 91 parsed_1laq 1
52 nc 62 81 62 91 parsed_1laq 1
53
;
ub+0.5
assign ( resid 10 and name H5 )( resid 10 and name H2'' ) 2.55 0.47 0.47 ! OFF
assign ( resid 10 and name H5 )( resid 10 and name H3' ) 4.71 1.02 1.03 ! OFF
;
63 81 65 93 parsed_1laq 1
54 ub+1 66 81 66 91 parsed_1laq 1
55 lb=2.3 67 81 67 91 parsed_1laq 1
56 nc 68 81 68 91 parsed_1laq 1
57 gen 69 81 69 91 parsed_1laq 1
58 nc 70 81 70 91 parsed_1laq 1
59 ub+1 71 81 71 91 parsed_1laq 1
60 nc 72 81 72 91 parsed_1laq 1
61 ub+0.5 73 81 73 91 parsed_1laq 1
62 lb=2.3 74 81 74 91 parsed_1laq 1
63 ub=5.8 75 81 75 91 parsed_1laq 1
64 gen 76 81 76 91 parsed_1laq 1
65 ub=4.7 77 81 77 91 parsed_1laq 1
66 nc 78 81 78 91 parsed_1laq 1
67 ub+0.2 79 81 79 91 parsed_1laq 1
68 nc 80 81 80 91 parsed_1laq 1
69 ub+0.5 81 81 81 91 parsed_1laq 1
70 ub+0.5 82 81 82 91 parsed_1laq 1
71 nc 83 81 83 91 parsed_1laq 1
72 gen 84 81 84 91 parsed_1laq 1
73 nc 85 81 85 91 parsed_1laq 1
74 ub+1 86 81 86 91 parsed_1laq 1
75 nc 88 81 88 91 parsed_1laq 1
76 nc 89 81 89 91 parsed_1laq 1
77 ub+1 91 81 91 91 parsed_1laq 1
78 ub+1.2 92 81 92 91 parsed_1laq 1
79 ub+1.5 93 81 93 91 parsed_1laq 1
80 ub+1.5 94 81 94 91 parsed_1laq 1
81
;
ub+0.5
assign ( resid 14 and name H2' )( resid 15 and name H5'' ) 3.27 0.69 0.69 ! OFF
assign ( resid 15 and name H8 )( resid 14 and name Q5' ) 4.45 1.00 1.00 ! OFF
;
95 81 97 93 parsed_1laq 1
82 ub+1.5 98 81 98 91 parsed_1laq 1
83 ub=5.1 99 81 99 91 parsed_1laq 1
84 ub+0.5 100 81 100 91 parsed_1laq 1
85 nc 101 81 101 91 parsed_1laq 1
86 ub=5.8 102 81 102 91 parsed_1laq 1
87 ub=4.7 103 81 103 91 parsed_1laq 1
88 nc 104 81 104 91 parsed_1laq 1
89 ub+1.5 105 81 105 91 parsed_1laq 1
90 ub+0.5 106 81 106 91 parsed_1laq 1
91
;
nc
assign ( resid 17 and name H8 )( resid 16 and name Q5' ) 3.95 0.36 0.36 ! OFF
;
107 81 108 93 parsed_1laq 1
92 nc 109 81 109 91 parsed_1laq 1
93 ub+0.5 110 81 110 91 parsed_1laq 1
94 ub+0.5 111 81 111 91 parsed_1laq 1
95 nc 113 81 113 91 parsed_1laq 1
96 ub+0.5 114 81 114 91 parsed_1laq 1
97 nc 115 81 115 91 parsed_1laq 1
98 ub+1 116 81 116 91 parsed_1laq 1
99 ub+1 117 81 117 91 parsed_1laq 1
100 ub+1 118 81 118 91 parsed_1laq 1
101 nc 119 81 119 91 parsed_1laq 1
102 ub+0.5 120 81 120 91 parsed_1laq 1
103 lb=2.3 121 81 121 91 parsed_1laq 1
104 nc 122 81 122 91 parsed_1laq 1
105 nc 123 81 123 91 parsed_1laq 1
106 ub+1 124 81 124 91 parsed_1laq 1
107 ub+0.8 125 81 125 91 parsed_1laq 1
108 nc 126 81 126 91 parsed_1laq 1
109 ub+1 127 81 127 91 parsed_1laq 1
110 ub+0.8 128 81 128 91 parsed_1laq 1
111 ub+1.5 130 81 130 91 parsed_1laq 1
112 ub+0.3 132 81 132 91 parsed_1laq 1
113 nc 133 81 133 91 parsed_1laq 1
114 nc 134 81 134 91 parsed_1laq 1
115 ub=5.8 135 81 135 91 parsed_1laq 1
116 ub+0.5 136 81 136 91 parsed_1laq 1
117 nc 137 81 137 91 parsed_1laq 1
118
;
ub+1.5
assign ( resid 23 and name H5 )( resid 23 and name H2'' ) 3.28 0.60 0.59 ! OFF
;
138 81 139 93 parsed_1laq 1
119 ub+1 140 81 140 91 parsed_1laq 1
120 lb=2.3 141 81 141 91 parsed_1laq 1
121 nc 142 81 142 91 parsed_1laq 1
122 nc 143 81 143 91 parsed_1laq 1
123 ub+1 144 81 144 91 parsed_1laq 1
124 nc 145 81 145 91 parsed_1laq 1
125 ub+0.5 146 81 146 91 parsed_1laq 1
126 lb=2.3 147 81 147 91 parsed_1laq 1
127 ub=5.8 148 81 148 91 parsed_1laq 1
128 gen 149 81 149 91 parsed_1laq 1
129 ub=4.7 150 81 150 91 parsed_1laq 1
130 nc 151 81 151 91 parsed_1laq 1
131 nc 152 81 152 91 parsed_1laq 1
132 nc 153 81 153 91 parsed_1laq 1
133 ub+0.5 154 81 154 91 parsed_1laq 1
134 ub+0.5 155 81 155 91 parsed_1laq 1
135 nc 156 81 156 91 parsed_1laq 1
136 gen 157 81 157 91 parsed_1laq 1
137 nc 158 81 158 91 parsed_1laq 1
138 ub+1 159 81 159 91 parsed_1laq 1
139
;
nc
assign ( resid 26 and name H2'' )( resid 26 and name H3' ) 0.00 0.00 0.00 ! nc
;
161 81 162 93 parsed_1laq 1
140 ub+1 164 81 164 91 parsed_1laq 1
stop_
save_
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