NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
35269 |
1lai   |
cing | 2-parsed | STAR | distance | NOE | ambi | 138 |
data_1lai_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1lai
_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_1lai 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1lai
_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 1lai "Master copy" parsed_1lai
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1lai
_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 1lai.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 3 distance NOE ambi 191 parsed_1lai 1
1 1lai.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 5 distance NOE ambi 153 parsed_1lai 1
1 1lai.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 7 distance NOE ambi 138 parsed_1lai 1
1 1lai.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 9 distance NOE ambi 0 parsed_1lai 1
1 1lai.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 11 distance NOE ambi 0 parsed_1lai 1
1 1lai.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 13 distance "hydrogen bond" simple 0 parsed_1lai 1
1 1lai.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 17 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . XPLOR/CNS 19 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . n/a 20 comment "Not applicable" "Not applicable" 0 parsed_1lai 1
1 1lai.mr . . "MR format" 21 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1lai 1
stop_
save_
save_CNS/XPLOR_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lai
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_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_1lai 1
2 1 . . . parsed_1lai 1
3 1 . . . parsed_1lai 1
4 1 . . . parsed_1lai 1
5 1 . . . parsed_1lai 1
6 1 . . . parsed_1lai 1
7 1 . . . parsed_1lai 1
8 1 . . . parsed_1lai 1
9 1 . . . parsed_1lai 1
10 1 . . . parsed_1lai 1
11 1 . . . parsed_1lai 1
12 1 . . . parsed_1lai 1
13 1 . . . parsed_1lai 1
14 1 . . . parsed_1lai 1
15 1 . . . parsed_1lai 1
16 1 . . . parsed_1lai 1
17 1 . . . parsed_1lai 1
18 1 . . . parsed_1lai 1
19 1 . . . parsed_1lai 1
20 1 . . . parsed_1lai 1
21 1 . . . parsed_1lai 1
22 1 . . . parsed_1lai 1
23 1 . . . parsed_1lai 1
24 1 . . . parsed_1lai 1
25 1 . . . parsed_1lai 1
26 1 . . . parsed_1lai 1
27 1 . . . parsed_1lai 1
28 1 . . . parsed_1lai 1
29 1 . . . parsed_1lai 1
30 1 . . . parsed_1lai 1
31 1 . . . parsed_1lai 1
32 1 . . . parsed_1lai 1
33 1 . . . parsed_1lai 1
34 1 . . . parsed_1lai 1
35 1 . . . parsed_1lai 1
36 1 . . . parsed_1lai 1
37 1 . . . parsed_1lai 1
38 1 . . . parsed_1lai 1
39 1 . . . parsed_1lai 1
40 1 . . . parsed_1lai 1
41 1 . . . parsed_1lai 1
42 1 . . . parsed_1lai 1
43 1 . . . parsed_1lai 1
44 1 . . . parsed_1lai 1
45 1 . . . parsed_1lai 1
46 1 . . . parsed_1lai 1
47 1 . . . parsed_1lai 1
48 1 . . . parsed_1lai 1
49 1 . . . parsed_1lai 1
50 1 . . . parsed_1lai 1
51 1 . . . parsed_1lai 1
52 1 . . . parsed_1lai 1
53 1 . . . parsed_1lai 1
54 1 . . . parsed_1lai 1
55 1 . . . parsed_1lai 1
56 1 . . . parsed_1lai 1
57 1 . . . parsed_1lai 1
58 1 . . . parsed_1lai 1
59 1 . . . parsed_1lai 1
60 1 . . . parsed_1lai 1
61 1 . . . parsed_1lai 1
62 1 . . . parsed_1lai 1
63 1 . . . parsed_1lai 1
64 1 . . . parsed_1lai 1
65 1 . . . parsed_1lai 1
66 1 . . . parsed_1lai 1
67 1 . . . parsed_1lai 1
68 1 . . . parsed_1lai 1
69 1 . . . parsed_1lai 1
70 1 . . . parsed_1lai 1
71 1 . . . parsed_1lai 1
72 1 . . . parsed_1lai 1
73 1 . . . parsed_1lai 1
74 1 . . . parsed_1lai 1
75 1 . . . parsed_1lai 1
76 1 . . . parsed_1lai 1
77 1 . . . parsed_1lai 1
78 1 . . . parsed_1lai 1
79 1 . . . parsed_1lai 1
80 1 . . . parsed_1lai 1
81 1 . . . parsed_1lai 1
82 1 . . . parsed_1lai 1
83 1 . . . parsed_1lai 1
84 1 . . . parsed_1lai 1
85 1 . . . parsed_1lai 1
86 1 . . . parsed_1lai 1
87 1 . . . parsed_1lai 1
88 1 . . . parsed_1lai 1
89 1 . . . parsed_1lai 1
90 1 . . . parsed_1lai 1
91 1 . . . parsed_1lai 1
92 1 . . . parsed_1lai 1
93 1 . . . parsed_1lai 1
94 1 . . . parsed_1lai 1
95 1 . . . parsed_1lai 1
96 1 . . . parsed_1lai 1
97 1 . . . parsed_1lai 1
98 1 . . . parsed_1lai 1
99 1 . . . parsed_1lai 1
100 1 . . . parsed_1lai 1
101 1 . . . parsed_1lai 1
102 1 . . . parsed_1lai 1
103 1 . . . parsed_1lai 1
104 1 . . . parsed_1lai 1
105 1 . . . parsed_1lai 1
106 1 . . . parsed_1lai 1
107 1 . . . parsed_1lai 1
108 1 . . . parsed_1lai 1
109 1 . . . parsed_1lai 1
110 1 . . . parsed_1lai 1
111 1 . . . parsed_1lai 1
112 1 . . . parsed_1lai 1
113 1 . . . parsed_1lai 1
114 1 . . . parsed_1lai 1
115 1 . . . parsed_1lai 1
116 1 . . . parsed_1lai 1
117 1 . . . parsed_1lai 1
118 1 . . . parsed_1lai 1
119 1 . . . parsed_1lai 1
120 1 . . . parsed_1lai 1
121 1 . . . parsed_1lai 1
122 1 . . . parsed_1lai 1
123 1 . . . parsed_1lai 1
124 1 . . . parsed_1lai 1
125 1 . . . parsed_1lai 1
126 1 . . . parsed_1lai 1
127 1 . . . parsed_1lai 1
128 1 . . . parsed_1lai 1
129 1 . . . parsed_1lai 1
130 1 . . . parsed_1lai 1
131 1 . . . parsed_1lai 1
132 1 . . . parsed_1lai 1
133 1 . . . parsed_1lai 1
134 1 . . . parsed_1lai 1
135 1 . . . parsed_1lai 1
136 1 . . . parsed_1lai 1
137 1 . . . parsed_1lai 1
138 1 . . . parsed_1lai 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 . H1' parsed_1lai 1
1 1 2 . . . . . . . . . 1 . H2' parsed_1lai 1
2 1 1 . . . . . . . . . 1 . H1' parsed_1lai 1
2 1 2 . . . . . . . . . 1 . H2'' parsed_1lai 1
3 1 1 . . . . . . . . . 1 . H1' parsed_1lai 1
3 1 2 . . . . . . . . . 1 . H4' parsed_1lai 1
4 1 1 . . . . . . . . . 1 . H3' parsed_1lai 1
4 1 2 . . . . . . . . . 1 . H4' parsed_1lai 1
5 1 1 . . . . . . . . . 2 . H8 parsed_1lai 1
5 1 2 . . . . . . . . . 1 . H2'' parsed_1lai 1
6 1 1 . . . . . . . . . 2 . H1' parsed_1lai 1
6 1 2 . . . . . . . . . 2 . H4' parsed_1lai 1
7 1 1 . . . . . . . . . 2 . H1' parsed_1lai 1
7 1 2 . . . . . . . . . 2 . H5' parsed_1lai 1
8 1 1 . . . . . . . . . 2 . H1' parsed_1lai 1
8 1 2 . . . . . . . . . 2 . H5'' parsed_1lai 1
9 1 1 . . . . . . . . . 3 . H6 parsed_1lai 1
9 1 2 . . . . . . . . . 3 . H1' parsed_1lai 1
10 1 1 . . . . . . . . . 3 . H6 parsed_1lai 1
10 1 2 . . . . . . . . . 2 . H2' parsed_1lai 1
11 1 1 . . . . . . . . . 3 . H5 parsed_1lai 1
11 1 2 . . . . . . . . . 2 . H2' parsed_1lai 1
12 1 1 . . . . . . . . . 3 . H6 parsed_1lai 1
12 1 2 . . . . . . . . . 3 . H2'' parsed_1lai 1
13 1 1 . . . . . . . . . 3 . H6 parsed_1lai 1
13 1 2 . . . . . . . . . 2 . H2'' parsed_1lai 1
14 1 1 . . . . . . . . . 3 . H6 parsed_1lai 1
14 1 2 . . . . . . . . . 3 . H3' parsed_1lai 1
15 1 1 . . . . . . . . . 3 . H6 parsed_1lai 1
15 1 2 . . . . . . . . . 3 . H4' parsed_1lai 1
16 1 1 . . . . . . . . . 3 . H2' parsed_1lai 1
16 1 2 . . . . . . . . . 3 . H5 parsed_1lai 1
17 1 1 . . . . . . . . . 3 . H5' parsed_1lai 1
17 1 1 . . . . . . . . . 3 . H5'' parsed_1lai 1
17 1 2 . . . . . . . . . 3 . H6 parsed_1lai 1
18 1 1 . . . . . . . . . 4 . H8 parsed_1lai 1
18 1 2 . . . . . . . . . 4 . H2' parsed_1lai 1
19 1 1 . . . . . . . . . 4 . H1' parsed_1lai 1
19 1 2 . . . . . . . . . 4 . H2' parsed_1lai 1
20 1 1 . . . . . . . . . 4 . H8 parsed_1lai 1
20 1 2 . . . . . . . . . 4 . H2'' parsed_1lai 1
21 1 1 . . . . . . . . . 4 . H1' parsed_1lai 1
21 1 2 . . . . . . . . . 4 . H2'' parsed_1lai 1
22 1 1 . . . . . . . . . 5 . H1' parsed_1lai 1
22 1 2 . . . . . . . . . 5 . H2' parsed_1lai 1
23 1 1 . . . . . . . . . 5 . H8 parsed_1lai 1
23 1 2 . . . . . . . . . 5 . H2'' parsed_1lai 1
24 1 1 . . . . . . . . . 5 . H8 parsed_1lai 1
24 1 2 . . . . . . . . . 4 . H2'' parsed_1lai 1
25 1 1 . . . . . . . . . 5 . H2' parsed_1lai 1
25 1 2 . . . . . . . . . 5 . H3' parsed_1lai 1
26 1 1 . . . . . . . . . 5 . H2'' parsed_1lai 1
26 1 2 . . . . . . . . . 5 . H3' parsed_1lai 1
27 1 1 . . . . . . . . . 6 . H6 parsed_1lai 1
27 1 2 . . . . . . . . . 6 . H3' parsed_1lai 1
28 1 1 . . . . . . . . . 6 . H6 parsed_1lai 1
28 1 2 . . . . . . . . . 5 . H3' parsed_1lai 1
29 1 1 . . . . . . . . . 6 . H5# parsed_1lai 1
29 1 2 . . . . . . . . . 5 . H3' parsed_1lai 1
30 1 1 . . . . . . . . . 6 . H5# parsed_1lai 1
30 1 2 . . . . . . . . . 6 . H3' parsed_1lai 1
31 1 1 . . . . . . . . . 6 . H2' parsed_1lai 1
31 1 2 . . . . . . . . . 6 . H3' parsed_1lai 1
32 1 1 . . . . . . . . . 6 . H2'' parsed_1lai 1
32 1 2 . . . . . . . . . 6 . H3' parsed_1lai 1
33 1 1 . . . . . . . . . 6 . H2'' parsed_1lai 1
33 1 2 . . . . . . . . . 6 . H4' parsed_1lai 1
34 1 1 . . . . . . . . . 7 . H8 parsed_1lai 1
34 1 2 . . . . . . . . . 6 . H2'' parsed_1lai 1
35 1 1 . . . . . . . . . 7 . H2' parsed_1lai 1
35 1 2 . . . . . . . . . 7 . H3' parsed_1lai 1
36 1 1 . . . . . . . . . 7 . H2'' parsed_1lai 1
36 1 2 . . . . . . . . . 7 . H3' parsed_1lai 1
37 1 1 . . . . . . . . . 7 . H3' parsed_1lai 1
37 1 2 . . . . . . . . . 7 . H4' parsed_1lai 1
38 1 1 . . . . . . . . . 7 . H5' parsed_1lai 1
38 1 1 . . . . . . . . . 7 . H5'' parsed_1lai 1
38 1 2 . . . . . . . . . 7 . H8 parsed_1lai 1
39 1 1 . . . . . . . . . 8 . H5# parsed_1lai 1
39 1 2 . . . . . . . . . 8 . H2' parsed_1lai 1
40 1 1 . . . . . . . . . 8 . H6 parsed_1lai 1
40 1 2 . . . . . . . . . 8 . H2'' parsed_1lai 1
41 1 1 . . . . . . . . . 8 . H6 parsed_1lai 1
41 1 2 . . . . . . . . . 7 . H2'' parsed_1lai 1
42 1 1 . . . . . . . . . 8 . H6 parsed_1lai 1
42 1 2 . . . . . . . . . 8 . H3' parsed_1lai 1
43 1 1 . . . . . . . . . 8 . H2' parsed_1lai 1
43 1 2 . . . . . . . . . 8 . H3' parsed_1lai 1
44 1 1 . . . . . . . . . 8 . H2'' parsed_1lai 1
44 1 2 . . . . . . . . . 8 . H3' parsed_1lai 1
45 1 1 . . . . . . . . . 8 . H2'' parsed_1lai 1
45 1 2 . . . . . . . . . 8 . H4' parsed_1lai 1
46 1 1 . . . . . . . . . 8 . H6 parsed_1lai 1
46 1 2 . . . . . . . . . 7 . H8 parsed_1lai 1
47 1 1 . . . . . . . . . 9 . H1' parsed_1lai 1
47 1 2 . . . . . . . . . 9 . H2'' parsed_1lai 1
48 1 1 . . . . . . . . . 9 . H6 parsed_1lai 1
48 1 2 . . . . . . . . . 9 . H4' parsed_1lai 1
49 1 1 . . . . . . . . . 9 . H5' parsed_1lai 1
49 1 1 . . . . . . . . . 9 . H5'' parsed_1lai 1
49 1 2 . . . . . . . . . 9 . H6 parsed_1lai 1
50 1 1 . . . . . . . . . 10 . H6 parsed_1lai 1
50 1 2 . . . . . . . . . 9 . H2' parsed_1lai 1
51 1 1 . . . . . . . . . 10 . H1' parsed_1lai 1
51 1 2 . . . . . . . . . 10 . H2' parsed_1lai 1
52 1 1 . . . . . . . . . 10 . H6 parsed_1lai 1
52 1 2 . . . . . . . . . 9 . H2'' parsed_1lai 1
53 1 1 . . . . . . . . . 10 . H6 parsed_1lai 1
53 1 2 . . . . . . . . . 10 . H4' parsed_1lai 1
54 1 1 . . . . . . . . . 10 . H2' parsed_1lai 1
54 1 2 . . . . . . . . . 10 . H5 parsed_1lai 1
55 1 1 . . . . . . . . . 11 . H8 parsed_1lai 1
55 1 2 . . . . . . . . . 11 . H1' parsed_1lai 1
56 1 1 . . . . . . . . . 11 . H8 parsed_1lai 1
56 1 2 . . . . . . . . . 10 . H1' parsed_1lai 1
57 1 1 . . . . . . . . . 11 . H8 parsed_1lai 1
57 1 2 . . . . . . . . . 10 . H2' parsed_1lai 1
58 1 1 . . . . . . . . . 11 . H8 parsed_1lai 1
58 1 2 . . . . . . . . . 10 . H2'' parsed_1lai 1
59 1 1 . . . . . . . . . 11 . H8 parsed_1lai 1
59 1 2 . . . . . . . . . 11 . H3' parsed_1lai 1
60 1 1 . . . . . . . . . 11 . H8 parsed_1lai 1
60 1 2 . . . . . . . . . 11 . H4' parsed_1lai 1
61 1 1 . . . . . . . . . 11 . H8 parsed_1lai 1
61 1 2 . . . . . . . . . 12 . H5 parsed_1lai 1
62 1 1 . . . . . . . . . 11 . H8 parsed_1lai 1
62 1 2 . . . . . . . . . 11 . H5' parsed_1lai 1
63 1 1 . . . . . . . . . 11 . H1' parsed_1lai 1
63 1 2 . . . . . . . . . 11 . H5' parsed_1lai 1
64 1 1 . . . . . . . . . 11 . H8 parsed_1lai 1
64 1 2 . . . . . . . . . 11 . H5'' parsed_1lai 1
65 1 1 . . . . . . . . . 11 . H1' parsed_1lai 1
65 1 2 . . . . . . . . . 11 . H5'' parsed_1lai 1
66 1 1 . . . . . . . . . 12 . H1' parsed_1lai 1
66 1 2 . . . . . . . . . 12 . H2' parsed_1lai 1
67 1 1 . . . . . . . . . 12 . H6 parsed_1lai 1
67 1 2 . . . . . . . . . 12 . H2'' parsed_1lai 1
68 1 1 . . . . . . . . . 12 . H1' parsed_1lai 1
68 1 2 . . . . . . . . . 12 . H2'' parsed_1lai 1
69 1 1 . . . . . . . . . 12 . H6 parsed_1lai 1
69 1 2 . . . . . . . . . 12 . H4' parsed_1lai 1
70 1 1 . . . . . . . . . 12 . H6 parsed_1lai 1
70 1 2 . . . . . . . . . 12 . H5' parsed_1lai 1
71 1 1 . . . . . . . . . 12 . H6 parsed_1lai 1
71 1 2 . . . . . . . . . 12 . H5'' parsed_1lai 1
72 1 1 . . . . . . . . . 12 . H6 parsed_1lai 1
72 1 2 . . . . . . . . . 11 . H8 parsed_1lai 1
73 1 1 . . . . . . . . . 13 . H8 parsed_1lai 1
73 1 2 . . . . . . . . . 13 . H2'' parsed_1lai 1
74 1 1 . . . . . . . . . 13 . H5' parsed_1lai 1
74 1 1 . . . . . . . . . 13 . H5'' parsed_1lai 1
74 1 2 . . . . . . . . . 13 . H8 parsed_1lai 1
75 1 1 . . . . . . . . . 13 . H5' parsed_1lai 1
75 1 1 . . . . . . . . . 13 . H5'' parsed_1lai 1
75 1 2 . . . . . . . . . 13 . H3' parsed_1lai 1
76 1 1 . . . . . . . . . 14 . H1' parsed_1lai 1
76 1 2 . . . . . . . . . 14 . H2' parsed_1lai 1
77 1 1 . . . . . . . . . 14 . H1' parsed_1lai 1
77 1 2 . . . . . . . . . 14 . H2'' parsed_1lai 1
78 1 1 . . . . . . . . . 14 . H1' parsed_1lai 1
78 1 2 . . . . . . . . . 14 . H4' parsed_1lai 1
79 1 1 . . . . . . . . . 14 . H3' parsed_1lai 1
79 1 2 . . . . . . . . . 14 . H4' parsed_1lai 1
80 1 1 . . . . . . . . . 15 . H8 parsed_1lai 1
80 1 2 . . . . . . . . . 14 . H2'' parsed_1lai 1
81 1 1 . . . . . . . . . 15 . H1' parsed_1lai 1
81 1 2 . . . . . . . . . 15 . H4' parsed_1lai 1
82 1 1 . . . . . . . . . 15 . H1' parsed_1lai 1
82 1 2 . . . . . . . . . 15 . H5' parsed_1lai 1
83 1 1 . . . . . . . . . 15 . H1' parsed_1lai 1
83 1 2 . . . . . . . . . 15 . H5'' parsed_1lai 1
84 1 1 . . . . . . . . . 16 . H6 parsed_1lai 1
84 1 2 . . . . . . . . . 16 . H1' parsed_1lai 1
85 1 1 . . . . . . . . . 16 . H6 parsed_1lai 1
85 1 2 . . . . . . . . . 15 . H2' parsed_1lai 1
86 1 1 . . . . . . . . . 16 . H5 parsed_1lai 1
86 1 2 . . . . . . . . . 15 . H2' parsed_1lai 1
87 1 1 . . . . . . . . . 16 . H6 parsed_1lai 1
87 1 2 . . . . . . . . . 16 . H2'' parsed_1lai 1
88 1 1 . . . . . . . . . 16 . H6 parsed_1lai 1
88 1 2 . . . . . . . . . 15 . H2'' parsed_1lai 1
89 1 1 . . . . . . . . . 16 . H6 parsed_1lai 1
89 1 2 . . . . . . . . . 16 . H4' parsed_1lai 1
90 1 1 . . . . . . . . . 16 . H1' parsed_1lai 1
90 1 2 . . . . . . . . . 16 . H4' parsed_1lai 1
91 1 1 . . . . . . . . . 16 . H2' parsed_1lai 1
91 1 2 . . . . . . . . . 16 . H5 parsed_1lai 1
92 1 1 . . . . . . . . . 16 . H5' parsed_1lai 1
92 1 1 . . . . . . . . . 16 . H5'' parsed_1lai 1
92 1 2 . . . . . . . . . 16 . H6 parsed_1lai 1
93 1 1 . . . . . . . . . 16 . H5' parsed_1lai 1
93 1 1 . . . . . . . . . 16 . H5'' parsed_1lai 1
93 1 2 . . . . . . . . . 16 . H1' parsed_1lai 1
94 1 1 . . . . . . . . . 17 . H1' parsed_1lai 1
94 1 2 . . . . . . . . . 17 . H2' parsed_1lai 1
95 1 1 . . . . . . . . . 17 . H1' parsed_1lai 1
95 1 2 . . . . . . . . . 17 . H2'' parsed_1lai 1
96 1 1 . . . . . . . . . 17 . H8 parsed_1lai 1
96 1 2 . . . . . . . . . 16 . H6 parsed_1lai 1
97 1 1 . . . . . . . . . 18 . H8 parsed_1lai 1
97 1 2 . . . . . . . . . 18 . H1' parsed_1lai 1
98 1 1 . . . . . . . . . 18 . H8 parsed_1lai 1
98 1 2 . . . . . . . . . 17 . H1' parsed_1lai 1
99 1 1 . . . . . . . . . 18 . H1' parsed_1lai 1
99 1 2 . . . . . . . . . 18 . H2' parsed_1lai 1
100 1 1 . . . . . . . . . 18 . H8 parsed_1lai 1
100 1 2 . . . . . . . . . 18 . H3' parsed_1lai 1
101 1 1 . . . . . . . . . 19 . H2'' parsed_1lai 1
101 1 2 . . . . . . . . . 19 . H3' parsed_1lai 1
102 1 1 . . . . . . . . . 19 . H3' parsed_1lai 1
102 1 2 . . . . . . . . . 19 . H4' parsed_1lai 1
103 1 1 . . . . . . . . . 19 . H8 parsed_1lai 1
103 1 2 . . . . . . . . . 19 . H5' parsed_1lai 1
104 1 1 . . . . . . . . . 19 . H8 parsed_1lai 1
104 1 2 . . . . . . . . . 19 . H5'' parsed_1lai 1
105 1 1 . . . . . . . . . 20 . H5 parsed_1lai 1
105 1 2 . . . . . . . . . 19 . H1' parsed_1lai 1
106 1 1 . . . . . . . . . 20 . H1' parsed_1lai 1
106 1 2 . . . . . . . . . 20 . H3' parsed_1lai 1
107 1 1 . . . . . . . . . 20 . H2' parsed_1lai 1
107 1 2 . . . . . . . . . 20 . H3' parsed_1lai 1
108 1 1 . . . . . . . . . 20 . H5' parsed_1lai 1
108 1 1 . . . . . . . . . 20 . H5'' parsed_1lai 1
108 1 2 . . . . . . . . . 20 . H3' parsed_1lai 1
109 1 1 . . . . . . . . . 21 . H2'' parsed_1lai 1
109 1 2 . . . . . . . . . 21 . H3' parsed_1lai 1
110 1 1 . . . . . . . . . 21 . H2' parsed_1lai 1
110 1 2 . . . . . . . . . 21 . H4' parsed_1lai 1
111 1 1 . . . . . . . . . 22 . H6 parsed_1lai 1
111 1 2 . . . . . . . . . 21 . H2' parsed_1lai 1
112 1 1 . . . . . . . . . 22 . H2' parsed_1lai 1
112 1 2 . . . . . . . . . 22 . H3' parsed_1lai 1
113 1 1 . . . . . . . . . 22 . H5' parsed_1lai 1
113 1 1 . . . . . . . . . 22 . H5'' parsed_1lai 1
113 1 2 . . . . . . . . . 22 . H6 parsed_1lai 1
114 1 1 . . . . . . . . . 23 . H1' parsed_1lai 1
114 1 2 . . . . . . . . . 23 . H2' parsed_1lai 1
115 1 1 . . . . . . . . . 23 . H5 parsed_1lai 1
115 1 2 . . . . . . . . . 22 . H2'' parsed_1lai 1
116 1 1 . . . . . . . . . 23 . H6 parsed_1lai 1
116 1 2 . . . . . . . . . 23 . H4' parsed_1lai 1
117 1 1 . . . . . . . . . 24 . H8 parsed_1lai 1
117 1 2 . . . . . . . . . 24 . H1' parsed_1lai 1
118 1 1 . . . . . . . . . 24 . H8 parsed_1lai 1
118 1 2 . . . . . . . . . 23 . H1' parsed_1lai 1
119 1 1 . . . . . . . . . 24 . H8 parsed_1lai 1
119 1 2 . . . . . . . . . 23 . H2' parsed_1lai 1
120 1 1 . . . . . . . . . 24 . H8 parsed_1lai 1
120 1 2 . . . . . . . . . 23 . H2'' parsed_1lai 1
121 1 1 . . . . . . . . . 24 . H8 parsed_1lai 1
121 1 2 . . . . . . . . . 24 . H3' parsed_1lai 1
122 1 1 . . . . . . . . . 24 . H8 parsed_1lai 1
122 1 2 . . . . . . . . . 24 . H4' parsed_1lai 1
123 1 1 . . . . . . . . . 24 . H1' parsed_1lai 1
123 1 2 . . . . . . . . . 24 . H4' parsed_1lai 1
124 1 1 . . . . . . . . . 24 . H8 parsed_1lai 1
124 1 2 . . . . . . . . . 25 . H5 parsed_1lai 1
125 1 1 . . . . . . . . . 24 . H8 parsed_1lai 1
125 1 2 . . . . . . . . . 24 . H5' parsed_1lai 1
126 1 1 . . . . . . . . . 24 . H1' parsed_1lai 1
126 1 2 . . . . . . . . . 24 . H5' parsed_1lai 1
127 1 1 . . . . . . . . . 24 . H8 parsed_1lai 1
127 1 2 . . . . . . . . . 24 . H5'' parsed_1lai 1
128 1 1 . . . . . . . . . 24 . H1' parsed_1lai 1
128 1 2 . . . . . . . . . 24 . H5'' parsed_1lai 1
129 1 1 . . . . . . . . . 25 . H1' parsed_1lai 1
129 1 2 . . . . . . . . . 25 . H2' parsed_1lai 1
130 1 1 . . . . . . . . . 25 . H6 parsed_1lai 1
130 1 2 . . . . . . . . . 25 . H2'' parsed_1lai 1
131 1 1 . . . . . . . . . 25 . H1' parsed_1lai 1
131 1 2 . . . . . . . . . 25 . H2'' parsed_1lai 1
132 1 1 . . . . . . . . . 25 . H6 parsed_1lai 1
132 1 2 . . . . . . . . . 25 . H4' parsed_1lai 1
133 1 1 . . . . . . . . . 25 . H6 parsed_1lai 1
133 1 2 . . . . . . . . . 25 . H5' parsed_1lai 1
134 1 1 . . . . . . . . . 25 . H6 parsed_1lai 1
134 1 2 . . . . . . . . . 25 . H5'' parsed_1lai 1
135 1 1 . . . . . . . . . 25 . H6 parsed_1lai 1
135 1 2 . . . . . . . . . 24 . H8 parsed_1lai 1
136 1 1 . . . . . . . . . 26 . H8 parsed_1lai 1
136 1 2 . . . . . . . . . 26 . H2'' parsed_1lai 1
137 1 1 . . . . . . . . . 26 . H5' parsed_1lai 1
137 1 1 . . . . . . . . . 26 . H5'' parsed_1lai 1
137 1 2 . . . . . . . . . 26 . H8 parsed_1lai 1
138 1 1 . . . . . . . . . 26 . H5' parsed_1lai 1
138 1 1 . . . . . . . . . 26 . H5'' parsed_1lai 1
138 1 2 . . . . . . . . . 26 . H3' parsed_1lai 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 . . . . . 2.38 1.81 2.96 parsed_1lai 1
2 1 . . . . . 2.48 2.23 2.73 parsed_1lai 1
3 1 . . . . . 2.85 2.06 3.64 parsed_1lai 1
4 1 . . . . . 2.50 2.14 2.87 parsed_1lai 1
5 1 . . . . . 2.76 2.30 3.22 parsed_1lai 1
6 1 . . . . . 3.00 2.23 3.76 parsed_1lai 1
7 1 . . . . . 3.55 2.22 4.88 parsed_1lai 1
8 1 . . . . . 3.86 2.33 5.39 parsed_1lai 1
9 1 . . . . . 3.01 2.15 3.87 parsed_1lai 1
10 1 . . . . . 3.67 3.40 3.94 parsed_1lai 1
11 1 . . . . . 2.91 2.22 3.60 parsed_1lai 1
12 1 . . . . . 3.25 2.42 4.08 parsed_1lai 1
13 1 . . . . . 2.55 2.30 2.80 parsed_1lai 1
14 1 . . . . . 3.64 2.62 4.66 parsed_1lai 1
15 1 . . . . . 3.97 2.81 5.14 parsed_1lai 1
16 1 . . . . . 2.98 1.68 4.29 parsed_1lai 1
17 1 . . . . . 3.86 2.72 5.00 parsed_1lai 1
18 1 . . . . . 2.39 2.09 2.69 parsed_1lai 1
19 1 . . . . . 2.98 2.44 3.52 parsed_1lai 1
20 1 . . . . . 3.01 2.19 3.84 parsed_1lai 1
21 1 . . . . . 2.34 2.11 2.58 parsed_1lai 1
22 1 . . . . . 2.60 2.13 3.07 parsed_1lai 1
23 1 . . . . . 2.96 1.98 3.95 parsed_1lai 1
24 1 . . . . . 2.76 2.30 3.22 parsed_1lai 1
25 1 . . . . . 2.73 2.11 3.35 parsed_1lai 1
26 1 . . . . . 2.96 2.46 3.47 parsed_1lai 1
27 1 . . . . . 3.15 1.91 4.39 parsed_1lai 1
28 1 . . . . . 3.83 2.68 4.98 parsed_1lai 1
29 1 . . . . . 3.94 2.75 5.13 parsed_1lai 1
30 1 . . . . . 6.11 5.38 6.83 parsed_1lai 1
31 1 . . . . . 2.33 2.08 2.58 parsed_1lai 1
32 1 . . . . . 2.92 2.44 3.40 parsed_1lai 1
33 1 . . . . . 2.92 1.93 3.92 parsed_1lai 1
34 1 . . . . . 2.79 2.29 3.29 parsed_1lai 1
35 1 . . . . . 2.40 2.17 2.63 parsed_1lai 1
36 1 . . . . . 2.96 2.31 3.61 parsed_1lai 1
37 1 . . . . . 2.48 2.06 2.90 parsed_1lai 1
38 1 . . . . . 3.92 2.83 5.01 parsed_1lai 1
39 1 . . . . . 3.78 2.58 4.98 parsed_1lai 1
40 1 . . . . . 3.17 2.25 4.09 parsed_1lai 1
41 1 . . . . . 2.60 2.29 2.91 parsed_1lai 1
42 1 . . . . . 3.29 2.15 4.43 parsed_1lai 1
43 1 . . . . . 2.77 2.33 3.21 parsed_1lai 1
44 1 . . . . . 3.17 2.57 3.77 parsed_1lai 1
45 1 . . . . . 3.14 2.15 4.13 parsed_1lai 1
46 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
47 1 . . . . . 2.26 2.08 2.44 parsed_1lai 1
48 1 . . . . . 4.02 2.99 5.04 parsed_1lai 1
49 1 . . . . . 3.79 2.60 4.98 parsed_1lai 1
50 1 . . . . . 3.64 3.40 3.88 parsed_1lai 1
51 1 . . . . . 2.92 2.41 3.44 parsed_1lai 1
52 1 . . . . . 2.82 2.30 3.34 parsed_1lai 1
53 1 . . . . . 4.07 3.23 4.91 parsed_1lai 1
54 1 . . . . . 3.06 1.74 4.38 parsed_1lai 1
55 1 . . . . . 2.92 1.84 4.00 parsed_1lai 1
56 1 . . . . . 3.08 2.43 3.74 parsed_1lai 1
57 1 . . . . . 4.21 3.40 5.03 parsed_1lai 1
58 1 . . . . . 2.92 2.30 3.53 parsed_1lai 1
59 1 . . . . . 3.46 2.42 4.50 parsed_1lai 1
60 1 . . . . . 4.37 3.56 5.18 parsed_1lai 1
61 1 . . . . . 3.47 2.85 4.09 parsed_1lai 1
62 1 . . . . . 3.69 2.99 4.39 parsed_1lai 1
63 1 . . . . . 3.62 2.23 5.01 parsed_1lai 1
64 1 . . . . . 3.60 2.62 4.58 parsed_1lai 1
65 1 . . . . . 3.92 2.36 5.49 parsed_1lai 1
66 1 . . . . . 2.62 2.23 3.00 parsed_1lai 1
67 1 . . . . . 3.01 2.39 3.63 parsed_1lai 1
68 1 . . . . . 2.06 1.96 2.16 parsed_1lai 1
69 1 . . . . . 4.25 3.17 5.33 parsed_1lai 1
70 1 . . . . . 3.35 2.62 4.08 parsed_1lai 1
71 1 . . . . . 3.62 3.00 4.24 parsed_1lai 1
72 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
73 1 . . . . . 2.91 1.90 3.91 parsed_1lai 1
74 1 . . . . . 3.83 2.56 5.09 parsed_1lai 1
75 1 . . . . . 2.90 2.05 3.75 parsed_1lai 1
76 1 . . . . . 2.45 1.87 3.03 parsed_1lai 1
77 1 . . . . . 2.44 2.21 2.67 parsed_1lai 1
78 1 . . . . . 2.89 2.13 3.65 parsed_1lai 1
79 1 . . . . . 2.45 2.10 2.80 parsed_1lai 1
80 1 . . . . . 2.81 2.29 3.33 parsed_1lai 1
81 1 . . . . . 3.04 2.23 3.85 parsed_1lai 1
82 1 . . . . . 3.57 2.22 4.91 parsed_1lai 1
83 1 . . . . . 3.71 2.34 5.08 parsed_1lai 1
84 1 . . . . . 2.94 2.13 3.75 parsed_1lai 1
85 1 . . . . . 3.66 3.40 3.92 parsed_1lai 1
86 1 . . . . . 2.95 2.22 3.68 parsed_1lai 1
87 1 . . . . . 3.42 2.49 4.35 parsed_1lai 1
88 1 . . . . . 2.55 2.30 2.81 parsed_1lai 1
89 1 . . . . . 3.95 2.92 4.98 parsed_1lai 1
90 1 . . . . . 3.08 2.38 3.77 parsed_1lai 1
91 1 . . . . . 3.02 1.70 4.34 parsed_1lai 1
92 1 . . . . . 3.96 3.19 4.74 parsed_1lai 1
93 1 . . . . . 3.96 2.65 5.27 parsed_1lai 1
94 1 . . . . . 2.83 2.21 3.45 parsed_1lai 1
95 1 . . . . . 2.09 1.93 2.26 parsed_1lai 1
96 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
97 1 . . . . . 2.85 1.87 3.83 parsed_1lai 1
98 1 . . . . . 3.28 2.65 3.91 parsed_1lai 1
99 1 . . . . . 2.74 2.22 3.25 parsed_1lai 1
100 1 . . . . . 3.92 2.96 4.88 parsed_1lai 1
101 1 . . . . . 2.85 2.25 3.45 parsed_1lai 1
102 1 . . . . . 2.34 1.94 2.75 parsed_1lai 1
103 1 . . . . . 3.19 2.67 3.71 parsed_1lai 1
104 1 . . . . . 3.65 2.92 4.38 parsed_1lai 1
105 1 . . . . . 3.67 2.82 4.52 parsed_1lai 1
106 1 . . . . . 3.19 2.22 4.16 parsed_1lai 1
107 1 . . . . . 2.62 2.27 2.97 parsed_1lai 1
108 1 . . . . . 3.10 2.13 4.07 parsed_1lai 1
109 1 . . . . . 2.46 2.07 2.85 parsed_1lai 1
110 1 . . . . . 3.71 2.77 4.65 parsed_1lai 1
111 1 . . . . . 3.63 3.40 3.87 parsed_1lai 1
112 1 . . . . . 2.63 2.28 2.99 parsed_1lai 1
113 1 . . . . . 4.07 3.28 4.86 parsed_1lai 1
114 1 . . . . . 2.71 2.13 3.29 parsed_1lai 1
115 1 . . . . . 2.71 2.21 3.21 parsed_1lai 1
116 1 . . . . . 4.21 3.33 5.09 parsed_1lai 1
117 1 . . . . . 2.91 1.86 3.95 parsed_1lai 1
118 1 . . . . . 3.19 2.61 3.77 parsed_1lai 1
119 1 . . . . . 4.14 3.40 4.89 parsed_1lai 1
120 1 . . . . . 2.95 2.30 3.60 parsed_1lai 1
121 1 . . . . . 3.48 2.50 4.46 parsed_1lai 1
122 1 . . . . . 4.30 3.36 5.24 parsed_1lai 1
123 1 . . . . . 3.10 2.27 3.93 parsed_1lai 1
124 1 . . . . . 3.27 2.69 3.85 parsed_1lai 1
125 1 . . . . . 3.78 3.01 4.55 parsed_1lai 1
126 1 . . . . . 3.55 2.12 4.98 parsed_1lai 1
127 1 . . . . . 3.59 2.68 4.51 parsed_1lai 1
128 1 . . . . . 3.73 2.34 5.12 parsed_1lai 1
129 1 . . . . . 2.83 2.28 3.37 parsed_1lai 1
130 1 . . . . . 3.03 2.33 3.72 parsed_1lai 1
131 1 . . . . . 2.06 1.96 2.16 parsed_1lai 1
132 1 . . . . . 4.31 3.21 5.41 parsed_1lai 1
133 1 . . . . . 3.46 2.79 4.13 parsed_1lai 1
134 1 . . . . . 3.62 3.04 4.20 parsed_1lai 1
135 1 . . . . . 5.00 4.60 5.40 parsed_1lai 1
136 1 . . . . . 2.87 1.90 3.83 parsed_1lai 1
137 1 . . . . . 4.03 2.80 5.25 parsed_1lai 1
138 1 . . . . . 2.87 2.03 3.71 parsed_1lai 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+0.5 1 81 1 91 parsed_1lai 1
2 nc 2 81 2 91 parsed_1lai 1
3 ub+1.0 3 81 3 91 parsed_1lai 1
4 nc 4 81 4 91 parsed_1lai 1
5 lb=2.5 5 81 5 91 parsed_1lai 1
6 ub+1.0 6 81 6 91 parsed_1lai 1
7 ub+2 7 81 7 91 parsed_1lai 1
8 ub+2 8 81 8 91 parsed_1lai 1
9 ub+0.9 9 81 9 91 parsed_1lai 1
10 nc 10 81 10 91 parsed_1lai 1
11 nc 11 81 11 91 parsed_1lai 1
12 ub+0.5 12 81 12 91 parsed_1lai 1
13 lb=2.5 13 81 13 91 parsed_1lai 1
14 ub+1.0 14 81 14 91 parsed_1lai 1
15 ub+1.0 15 81 15 91 parsed_1lai 1
16 ub+1.5 16 81 16 91 parsed_1lai 1
17 ub+1.0 18 81 18 91 parsed_1lai 1
18 nc 19 81 19 91 parsed_1lai 1
19 nc 20 81 20 91 parsed_1lai 1
20 ub+0.5 21 81 21 91 parsed_1lai 1
21
;
nc
assign ( resid 4 and name H1' )( resid 5 and name Q5' ) 4.30 1.13 1.13 ! OFF
;
22 81 23 93 parsed_1lai 1
22 ub+0.5 24 81 24 91 parsed_1lai 1
23 ub+0.5 25 81 25 91 parsed_1lai 1
24 lb=2.5 26 81 26 91 parsed_1lai 1
25 nc 27 81 27 91 parsed_1lai 1
26 nc 28 81 28 91 parsed_1lai 1
27 ub+1.0 29 81 29 91 parsed_1lai 1
28 ub+0.7 30 81 30 91 parsed_1lai 1
29 ub+1.0 31 81 31 91 parsed_1lai 1
30 nc 32 81 32 91 parsed_1lai 1
31 nc 33 81 33 91 parsed_1lai 1
32 nc 34 81 34 91 parsed_1lai 1
33 ub+1.5 35 81 35 91 parsed_1lai 1
34 lb=2.5 36 81 36 91 parsed_1lai 1
35 nc 37 81 37 91 parsed_1lai 1
36 nc 38 81 38 91 parsed_1lai 1
37 ub+0.3 39 81 39 91 parsed_1lai 1
38 ub+1.0 41 81 41 91 parsed_1lai 1
39 nc 42 81 42 91 parsed_1lai 1
40 ub+0.5 43 81 43 91 parsed_1lai 1
41 lb=2.5 44 81 44 91 parsed_1lai 1
42 ub+1.0 45 81 45 91 parsed_1lai 1
43 nc 46 81 46 91 parsed_1lai 1
44 nc 47 81 47 91 parsed_1lai 1
45 ub+1.0 48 81 48 91 parsed_1lai 1
46 gen 49 81 49 91 parsed_1lai 1
47 nc 50 81 50 91 parsed_1lai 1
48 ub+1.0 51 81 51 91 parsed_1lai 1
49 ub+1.0 53 81 53 91 parsed_1lai 1
50 ub+0.5 54 81 54 91 parsed_1lai 1
51 nc 55 81 55 91 parsed_1lai 1
52 lb=2.5 56 81 56 91 parsed_1lai 1
53 ub+1.0 57 81 57 91 parsed_1lai 1
54 ub+1.5 58 81 58 91 parsed_1lai 1
55 ub+0.7 59 81 59 91 parsed_1lai 1
56 nc 60 81 60 91 parsed_1lai 1
57 nc 61 81 61 91 parsed_1lai 1
58
;
lb=2.5
assign ( resid 11 and name H1' )( resid 12 and name H2'' ) 3.45 0.51 0.50 ! OFF
;
62 81 63 93 parsed_1lai 1
59 ub+1.0 64 81 64 91 parsed_1lai 1
60 nc 65 81 65 91 parsed_1lai 1
61 nc 66 81 66 91 parsed_1lai 1
62 nc 67 81 67 91 parsed_1lai 1
63 ub+2 68 81 68 91 parsed_1lai 1
64 nc 69 81 69 91 parsed_1lai 1
65 ub+2 70 81 70 91 parsed_1lai 1
66 nc 71 81 71 91 parsed_1lai 1
67 ub+0.5 72 81 72 91 parsed_1lai 1
68 nc 73 81 73 91 parsed_1lai 1
69 ub+1.0 74 81 74 91 parsed_1lai 1
70 nc 75 81 75 91 parsed_1lai 1
71 nc 76 81 76 91 parsed_1lai 1
72 gen 77 81 77 91 parsed_1lai 1
73 ub+1.5 78 81 78 91 parsed_1lai 1
74 ub+1.0 80 81 80 91 parsed_1lai 1
75 ub+1.0 82 81 82 91 parsed_1lai 1
76 ub+0.6 83 81 83 91 parsed_1lai 1
77 nc 84 81 84 91 parsed_1lai 1
78 ub+1.0 85 81 85 91 parsed_1lai 1
79 nc 86 81 86 91 parsed_1lai 1
80 lb=2.5 87 81 87 91 parsed_1lai 1
81 ub+1.0 88 81 88 91 parsed_1lai 1
82 ub+2 89 81 89 91 parsed_1lai 1
83 ub+1.5 90 81 90 91 parsed_1lai 1
84 ub+0.7 91 81 91 91 parsed_1lai 1
85 nc 92 81 92 91 parsed_1lai 1
86 nc 93 81 93 91 parsed_1lai 1
87 ub+0.5 94 81 94 91 parsed_1lai 1
88 lb=2.5 95 81 95 91 parsed_1lai 1
89 ub+1.0 96 81 96 91 parsed_1lai 1
90 ub+1.0 97 81 97 91 parsed_1lai 1
91 ub+1.5 98 81 98 91 parsed_1lai 1
92 nc 100 81 100 91 parsed_1lai 1
93 ub+1.5 102 81 102 91 parsed_1lai 1
94 ub+0.5 103 81 103 91 parsed_1lai 1
95 nc 104 81 104 91 parsed_1lai 1
96 gen 105 81 105 91 parsed_1lai 1
97 ub+0.7 106 81 106 91 parsed_1lai 1
98 ub+0.5 107 81 107 91 parsed_1lai 1
99 nc 108 81 108 91 parsed_1lai 1
100 ub+1.0 109 81 109 91 parsed_1lai 1
101 nc 110 81 110 91 parsed_1lai 1
102 ub+0.3 111 81 111 91 parsed_1lai 1
103 nc 112 81 112 91 parsed_1lai 1
104
;
nc
assign ( resid 19 and name H1' )( resid 20 and name Q5' ) 4.08 1.14 1.14 ! OFF
;
113 81 114 93 parsed_1lai 1
105 nc 115 81 115 91 parsed_1lai 1
106 ub+0.5 116 81 116 91 parsed_1lai 1
107 nc 117 81 117 91 parsed_1lai 1
108 ub+1.0 119 81 119 91 parsed_1lai 1
109 nc 120 81 120 91 parsed_1lai 1
110 ub+1.0 121 81 121 91 parsed_1lai 1
111 ub+0.5 122 81 122 91 parsed_1lai 1
112 nc 123 81 123 91 parsed_1lai 1
113
;
nc
assign ( resid 22 and name H1' )( resid 23 and name Q5' ) 4.32 1.04 1.04 ! OFF
;
125 81 126 93 parsed_1lai 1
114 ub+0.5 127 81 127 91 parsed_1lai 1
115 nc 128 81 128 91 parsed_1lai 1
116 ub+1.0 129 81 129 91 parsed_1lai 1
117 ub+0.7 130 81 130 91 parsed_1lai 1
118 nc 131 81 131 91 parsed_1lai 1
119 nc 132 81 132 91 parsed_1lai 1
120
;
lb=2.5
assign ( resid 24 and name H1' )( resid 25 and name H2'' ) 3.38 0.58 0.59 ! OFF
;
133 81 134 93 parsed_1lai 1
121 ub+1.0 135 81 135 91 parsed_1lai 1
122 nc 136 81 136 91 parsed_1lai 1
123 ub+1.0 137 81 137 91 parsed_1lai 1
124 nc 138 81 138 91 parsed_1lai 1
125 nc 139 81 139 91 parsed_1lai 1
126 ub+2 140 81 140 91 parsed_1lai 1
127 ub+0.2 141 81 141 91 parsed_1lai 1
128 ub+1.5 142 81 142 91 parsed_1lai 1
129 ub+0.5 143 81 143 91 parsed_1lai 1
130 ub+0.5 144 81 144 91 parsed_1lai 1
131 nc 145 81 145 91 parsed_1lai 1
132 ub+1.0 146 81 146 91 parsed_1lai 1
133 nc 147 81 147 91 parsed_1lai 1
134 nc 148 81 148 91 parsed_1lai 1
135 gen 149 81 149 91 parsed_1lai 1
136 ub+1.5 150 81 150 91 parsed_1lai 1
137 ub+1.0 152 81 152 91 parsed_1lai 1
138 ub+1.0 154 81 154 91 parsed_1lai 1
stop_
save_
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