NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
36003 |
1mqy   |
5582 | cing | 2-parsed | STAR | entry | full | 251 |
data_1mqy_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1mqy
_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_1mqy 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1mqy
_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 1mqy "Master copy" parsed_1mqy
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1mqy
_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 1mqy.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1mqy 1
1 1mqy.mr . . XPLOR/CNS 2 distance NOE simple 251 parsed_1mqy 1
1 1mqy.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1mqy 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_1mqy
_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 ANTIBIOTIC 17-SEP-02 1MQY
*TITLE NMR SOLUTION STRUCTURE OF TYPE-B LANTIBIOTICS MERSACIDIN IN
*TITLE 2 DPC MICELLES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: LANTIBIOTIC MERSACIDIN;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: TYPE-B LANTIBIOTICS MERSACIDIN
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.;
*SOURCE 3 ORGANISM_COMMON: BACTERIA;
*SOURCE 4 STRAIN: HIL Y-85,54728
*KEYWDS LANTIBIOTICS, PEPTIDOGLYCAN
*EXPDTA NMR, 13 STRUCTURES
*AUTHOR S.-T.D.HSU, E.BREUKINK, G.BIERBAUM, H.-G.SAHL, B.DE KRUIJFF,
*AUTHOR 2 R.KAPTEIN, N.A.J.VAN NULAND, A.M.J.J.BONVIN
*REVDAT 1 11-MAR-03 1MQY 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1mqy
_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_1mqy 1
2 1 . . . parsed_1mqy 1
3 1 . . . parsed_1mqy 1
4 1 . . . parsed_1mqy 1
5 1 . . . parsed_1mqy 1
6 1 . . . parsed_1mqy 1
7 1 . . . parsed_1mqy 1
8 1 . . . parsed_1mqy 1
9 1 . . . parsed_1mqy 1
10 1 . . . parsed_1mqy 1
11 1 . . . parsed_1mqy 1
12 1 . . . parsed_1mqy 1
13 1 . . . parsed_1mqy 1
14 1 . . . parsed_1mqy 1
15 1 . . . parsed_1mqy 1
16 1 . . . parsed_1mqy 1
17 1 . . . parsed_1mqy 1
18 1 2 . OR parsed_1mqy 1
18 2 . 3 . parsed_1mqy 1
18 3 . . . parsed_1mqy 1
19 1 . . . parsed_1mqy 1
20 1 . . . parsed_1mqy 1
21 1 . . . parsed_1mqy 1
22 1 . . . parsed_1mqy 1
23 1 . . . parsed_1mqy 1
24 1 . . . parsed_1mqy 1
25 1 . . . parsed_1mqy 1
26 1 . . . parsed_1mqy 1
27 1 . . . parsed_1mqy 1
28 1 . . . parsed_1mqy 1
29 1 . . . parsed_1mqy 1
30 1 . . . parsed_1mqy 1
31 1 . . . parsed_1mqy 1
32 1 . . . parsed_1mqy 1
33 1 . . . parsed_1mqy 1
34 1 . . . parsed_1mqy 1
35 1 . . . parsed_1mqy 1
36 1 . . . parsed_1mqy 1
37 1 . . . parsed_1mqy 1
38 1 . . . parsed_1mqy 1
39 1 . . . parsed_1mqy 1
40 1 . . . parsed_1mqy 1
41 1 2 . OR parsed_1mqy 1
41 2 . 3 . parsed_1mqy 1
41 3 . . . parsed_1mqy 1
42 1 2 . OR parsed_1mqy 1
42 2 . 3 . parsed_1mqy 1
42 3 . . . parsed_1mqy 1
43 1 . . . parsed_1mqy 1
44 1 . . . parsed_1mqy 1
45 1 . . . parsed_1mqy 1
46 1 . . . parsed_1mqy 1
47 1 . . . parsed_1mqy 1
48 1 . . . parsed_1mqy 1
49 1 . . . parsed_1mqy 1
50 1 . . . parsed_1mqy 1
51 1 . . . parsed_1mqy 1
52 1 . . . parsed_1mqy 1
53 1 . . . parsed_1mqy 1
54 1 . . . parsed_1mqy 1
55 1 . . . parsed_1mqy 1
56 1 2 . OR parsed_1mqy 1
56 2 . 3 . parsed_1mqy 1
56 3 . . . parsed_1mqy 1
57 1 . . . parsed_1mqy 1
58 1 . . . parsed_1mqy 1
59 1 2 . OR parsed_1mqy 1
59 2 . 3 . parsed_1mqy 1
59 3 . 4 . parsed_1mqy 1
59 4 . . . parsed_1mqy 1
60 1 . . . parsed_1mqy 1
61 1 . . . parsed_1mqy 1
62 1 . . . parsed_1mqy 1
63 1 . . . parsed_1mqy 1
64 1 . . . parsed_1mqy 1
65 1 . . . parsed_1mqy 1
66 1 . . . parsed_1mqy 1
67 1 . . . parsed_1mqy 1
68 1 . . . parsed_1mqy 1
69 1 . . . parsed_1mqy 1
70 1 . . . parsed_1mqy 1
71 1 . . . parsed_1mqy 1
72 1 . . . parsed_1mqy 1
73 1 . . . parsed_1mqy 1
74 1 . . . parsed_1mqy 1
75 1 . . . parsed_1mqy 1
76 1 . . . parsed_1mqy 1
77 1 . . . parsed_1mqy 1
78 1 . . . parsed_1mqy 1
79 1 . . . parsed_1mqy 1
80 1 . . . parsed_1mqy 1
81 1 . . . parsed_1mqy 1
82 1 2 . OR parsed_1mqy 1
82 2 . 3 . parsed_1mqy 1
82 3 . . . parsed_1mqy 1
83 1 . . . parsed_1mqy 1
84 1 2 . OR parsed_1mqy 1
84 2 . 3 . parsed_1mqy 1
84 3 . . . parsed_1mqy 1
85 1 2 . OR parsed_1mqy 1
85 2 . 3 . parsed_1mqy 1
85 3 . . . parsed_1mqy 1
86 1 2 . OR parsed_1mqy 1
86 2 . 3 . parsed_1mqy 1
86 3 . . . parsed_1mqy 1
87 1 . . . parsed_1mqy 1
88 1 2 . OR parsed_1mqy 1
88 2 . 3 . parsed_1mqy 1
88 3 . . . parsed_1mqy 1
89 1 . . . parsed_1mqy 1
90 1 . . . parsed_1mqy 1
91 1 . . . parsed_1mqy 1
92 1 . . . parsed_1mqy 1
93 1 . . . parsed_1mqy 1
94 1 . . . parsed_1mqy 1
95 1 . . . parsed_1mqy 1
96 1 . . . parsed_1mqy 1
97 1 . . . parsed_1mqy 1
98 1 . . . parsed_1mqy 1
99 1 . . . parsed_1mqy 1
100 1 . . . parsed_1mqy 1
101 1 . . . parsed_1mqy 1
102 1 . . . parsed_1mqy 1
103 1 . . . parsed_1mqy 1
104 1 . . . parsed_1mqy 1
105 1 . . . parsed_1mqy 1
106 1 . . . parsed_1mqy 1
107 1 . . . parsed_1mqy 1
108 1 2 . OR parsed_1mqy 1
108 2 . 3 . parsed_1mqy 1
108 3 . . . parsed_1mqy 1
109 1 . . . parsed_1mqy 1
110 1 . . . parsed_1mqy 1
111 1 . . . parsed_1mqy 1
112 1 2 . OR parsed_1mqy 1
112 2 . 3 . parsed_1mqy 1
112 3 . 4 . parsed_1mqy 1
112 4 . . . parsed_1mqy 1
113 1 . . . parsed_1mqy 1
114 1 . . . parsed_1mqy 1
115 1 . . . parsed_1mqy 1
116 1 2 . OR parsed_1mqy 1
116 2 . 3 . parsed_1mqy 1
116 3 . . . parsed_1mqy 1
117 1 . . . parsed_1mqy 1
118 1 2 . OR parsed_1mqy 1
118 2 . 3 . parsed_1mqy 1
118 3 . 4 . parsed_1mqy 1
118 4 . . . parsed_1mqy 1
119 1 . . . parsed_1mqy 1
120 1 . . . parsed_1mqy 1
121 1 . . . parsed_1mqy 1
122 1 . . . parsed_1mqy 1
123 1 . . . parsed_1mqy 1
124 1 . . . parsed_1mqy 1
125 1 . . . parsed_1mqy 1
126 1 . . . parsed_1mqy 1
127 1 . . . parsed_1mqy 1
128 1 . . . parsed_1mqy 1
129 1 . . . parsed_1mqy 1
130 1 . . . parsed_1mqy 1
131 1 . . . parsed_1mqy 1
132 1 . . . parsed_1mqy 1
133 1 . . . parsed_1mqy 1
134 1 2 . OR parsed_1mqy 1
134 2 . 3 . parsed_1mqy 1
134 3 . . . parsed_1mqy 1
135 1 . . . parsed_1mqy 1
136 1 . . . parsed_1mqy 1
137 1 . . . parsed_1mqy 1
138 1 . . . parsed_1mqy 1
139 1 . . . parsed_1mqy 1
140 1 . . . parsed_1mqy 1
141 1 . . . parsed_1mqy 1
142 1 . . . parsed_1mqy 1
143 1 . . . parsed_1mqy 1
144 1 . . . parsed_1mqy 1
145 1 . . . parsed_1mqy 1
146 1 . . . parsed_1mqy 1
147 1 . . . parsed_1mqy 1
148 1 . . . parsed_1mqy 1
149 1 . . . parsed_1mqy 1
150 1 . . . parsed_1mqy 1
151 1 . . . parsed_1mqy 1
152 1 . . . parsed_1mqy 1
153 1 . . . parsed_1mqy 1
154 1 . . . parsed_1mqy 1
155 1 . . . parsed_1mqy 1
156 1 . . . parsed_1mqy 1
157 1 . . . parsed_1mqy 1
158 1 . . . parsed_1mqy 1
159 1 . . . parsed_1mqy 1
160 1 . . . parsed_1mqy 1
161 1 . . . parsed_1mqy 1
162 1 . . . parsed_1mqy 1
163 1 . . . parsed_1mqy 1
164 1 . . . parsed_1mqy 1
165 1 . . . parsed_1mqy 1
166 1 . . . parsed_1mqy 1
167 1 . . . parsed_1mqy 1
168 1 . . . parsed_1mqy 1
169 1 . . . parsed_1mqy 1
170 1 . . . parsed_1mqy 1
171 1 . . . parsed_1mqy 1
172 1 . . . parsed_1mqy 1
173 1 . . . parsed_1mqy 1
174 1 . . . parsed_1mqy 1
175 1 . . . parsed_1mqy 1
176 1 . . . parsed_1mqy 1
177 1 . . . parsed_1mqy 1
178 1 . . . parsed_1mqy 1
179 1 . . . parsed_1mqy 1
180 1 2 . OR parsed_1mqy 1
180 2 . 3 . parsed_1mqy 1
180 3 . . . parsed_1mqy 1
181 1 . . . parsed_1mqy 1
182 1 . . . parsed_1mqy 1
183 1 . . . parsed_1mqy 1
184 1 . . . parsed_1mqy 1
185 1 . . . parsed_1mqy 1
186 1 . . . parsed_1mqy 1
187 1 . . . parsed_1mqy 1
188 1 . . . parsed_1mqy 1
189 1 . . . parsed_1mqy 1
190 1 . . . parsed_1mqy 1
191 1 . . . parsed_1mqy 1
192 1 . . . parsed_1mqy 1
193 1 . . . parsed_1mqy 1
194 1 . . . parsed_1mqy 1
195 1 . . . parsed_1mqy 1
196 1 . . . parsed_1mqy 1
197 1 . . . parsed_1mqy 1
198 1 . . . parsed_1mqy 1
199 1 . . . parsed_1mqy 1
200 1 . . . parsed_1mqy 1
201 1 . . . parsed_1mqy 1
202 1 . . . parsed_1mqy 1
203 1 . . . parsed_1mqy 1
204 1 . . . parsed_1mqy 1
205 1 . . . parsed_1mqy 1
206 1 . . . parsed_1mqy 1
207 1 . . . parsed_1mqy 1
208 1 . . . parsed_1mqy 1
209 1 . . . parsed_1mqy 1
210 1 . . . parsed_1mqy 1
211 1 2 . OR parsed_1mqy 1
211 2 . 3 . parsed_1mqy 1
211 3 . . . parsed_1mqy 1
212 1 2 . OR parsed_1mqy 1
212 2 . 3 . parsed_1mqy 1
212 3 . . . parsed_1mqy 1
213 1 2 . OR parsed_1mqy 1
213 2 . 3 . parsed_1mqy 1
213 3 . . . parsed_1mqy 1
214 1 . . . parsed_1mqy 1
215 1 . . . parsed_1mqy 1
216 1 . . . parsed_1mqy 1
217 1 . . . parsed_1mqy 1
218 1 . . . parsed_1mqy 1
219 1 . . . parsed_1mqy 1
220 1 . . . parsed_1mqy 1
221 1 . . . parsed_1mqy 1
222 1 2 . OR parsed_1mqy 1
222 2 . 3 . parsed_1mqy 1
222 3 . . . parsed_1mqy 1
223 1 . . . parsed_1mqy 1
224 1 2 . OR parsed_1mqy 1
224 2 . 3 . parsed_1mqy 1
224 3 . . . parsed_1mqy 1
225 1 . . . parsed_1mqy 1
226 1 2 . OR parsed_1mqy 1
226 2 . 3 . parsed_1mqy 1
226 3 . . . parsed_1mqy 1
227 1 . . . parsed_1mqy 1
228 1 . . . parsed_1mqy 1
229 1 . . . parsed_1mqy 1
230 1 . . . parsed_1mqy 1
231 1 . . . parsed_1mqy 1
232 1 . . . parsed_1mqy 1
233 1 . . . parsed_1mqy 1
234 1 . . . parsed_1mqy 1
235 1 . . . parsed_1mqy 1
236 1 . . . parsed_1mqy 1
237 1 . . . parsed_1mqy 1
238 1 . . . parsed_1mqy 1
239 1 . . . parsed_1mqy 1
240 1 . . . parsed_1mqy 1
241 1 . . . parsed_1mqy 1
242 1 . . . parsed_1mqy 1
243 1 . . . parsed_1mqy 1
244 1 . . . parsed_1mqy 1
245 1 2 . OR parsed_1mqy 1
245 2 . 3 . parsed_1mqy 1
245 3 . . . parsed_1mqy 1
246 1 . . . parsed_1mqy 1
247 1 . . . parsed_1mqy 1
248 1 2 . OR parsed_1mqy 1
248 2 . 3 . parsed_1mqy 1
248 3 . . . parsed_1mqy 1
249 1 . . . parsed_1mqy 1
250 1 . . . parsed_1mqy 1
251 1 . . . parsed_1mqy 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 . . . . . . . . " " 16 . HN parsed_1mqy 1
1 1 2 . . . . . . . . " " 15 . HA parsed_1mqy 1
2 1 1 . . . . . . . . " " 16 . HN parsed_1mqy 1
2 1 2 . . . . . . . . " " 15 . HB parsed_1mqy 1
3 1 1 . . . . . . . . " " 7 . HN parsed_1mqy 1
3 1 2 . . . . . . . . " " 6 . HB2 parsed_1mqy 1
4 1 1 . . . . . . . . " " 7 . HN parsed_1mqy 1
4 1 2 . . . . . . . . " " 6 . HB1 parsed_1mqy 1
5 1 1 . . . . . . . . " " 8 . HN parsed_1mqy 1
5 1 2 . . . . . . . . " " 8 . HA2 parsed_1mqy 1
6 1 1 . . . . . . . . " " 12 . HN parsed_1mqy 1
6 1 2 . . . . . . . . " " 11 . HA parsed_1mqy 1
7 1 1 . . . . . . . . " " 12 . HN parsed_1mqy 1
7 1 2 . . . . . . . . " " 12 . HA parsed_1mqy 1
8 1 1 . . . . . . . . " " 12 . HN parsed_1mqy 1
8 1 2 . . . . . . . . " " 12 . HB1 parsed_1mqy 1
9 1 1 . . . . . . . . " " 12 . HN parsed_1mqy 1
9 1 2 . . . . . . . . " " 12 . HB2 parsed_1mqy 1
10 1 1 . . . . . . . . " " 12 . HN parsed_1mqy 1
10 1 2 . . . . . . . . " " 11 . HB parsed_1mqy 1
11 1 1 . . . . . . . . " " 12 . HN parsed_1mqy 1
11 1 2 . . . . . . . . " " 11 . HG2% parsed_1mqy 1
12 1 1 . . . . . . . . " " 3 . HN parsed_1mqy 1
12 1 2 . . . . . . . . " " 3 . HA parsed_1mqy 1
13 1 1 . . . . . . . . " " 3 . HN parsed_1mqy 1
13 1 2 . . . . . . . . " " 2 . HA parsed_1mqy 1
14 1 1 . . . . . . . . " " 3 . HN parsed_1mqy 1
14 1 2 . . . . . . . . " " 2 . HB parsed_1mqy 1
15 1 1 . . . . . . . . " " 3 . HN parsed_1mqy 1
15 1 2 . . . . . . . . " " 3 . HB2 parsed_1mqy 1
16 1 1 . . . . . . . . " " 3 . HN parsed_1mqy 1
16 1 2 . . . . . . . . " " 2 . HG2% parsed_1mqy 1
17 1 1 . . . . . . . . " " 17 . HN parsed_1mqy 1
17 1 2 . . . . . . . . " " 17 . HA parsed_1mqy 1
18 2 1 . . . . . . . . " " 17 . HN parsed_1mqy 1
18 2 2 . . . . . . . . " " 17 . HG2 parsed_1mqy 1
18 3 1 . . . . . . . . " " 17 . HN parsed_1mqy 1
18 3 2 . . . . . . . . " " 17 . HG1 parsed_1mqy 1
19 1 1 . . . . . . . . " " 17 . HN parsed_1mqy 1
19 1 2 . . . . . . . . " " 17 . HB1 parsed_1mqy 1
20 1 1 . . . . . . . . " " 17 . HN parsed_1mqy 1
20 1 2 . . . . . . . . " " 17 . HB2 parsed_1mqy 1
21 1 1 . . . . . . . . " " 15 . HN parsed_1mqy 1
21 1 2 . . . . . . . . " " 15 . HA parsed_1mqy 1
22 1 1 . . . . . . . . " " 15 . HN parsed_1mqy 1
22 1 2 . . . . . . . . " " 14 . HA parsed_1mqy 1
23 1 1 . . . . . . . . " " 15 . HN parsed_1mqy 1
23 1 2 . . . . . . . . " " 18 . HB2 parsed_1mqy 1
24 1 1 . . . . . . . . " " 15 . HN parsed_1mqy 1
24 1 2 . . . . . . . . " " 14 . HB1 parsed_1mqy 1
25 1 1 . . . . . . . . " " 15 . HN parsed_1mqy 1
25 1 2 . . . . . . . . " " 15 . HG2% parsed_1mqy 1
26 1 1 . . . . . . . . " " 11 . HN parsed_1mqy 1
26 1 2 . . . . . . . . " " 11 . HA parsed_1mqy 1
27 1 1 . . . . . . . . " " 11 . HN parsed_1mqy 1
27 1 2 . . . . . . . . " " 10 . HA1 parsed_1mqy 1
28 1 1 . . . . . . . . " " 11 . HN parsed_1mqy 1
28 1 2 . . . . . . . . " " 11 . HB parsed_1mqy 1
29 1 1 . . . . . . . . " " 11 . HN parsed_1mqy 1
29 1 2 . . . . . . . . " " 11 . HG1% parsed_1mqy 1
30 1 1 . . . . . . . . " " 9 . HN parsed_1mqy 1
30 1 2 . . . . . . . . " " 8 . HA1 parsed_1mqy 1
31 1 1 . . . . . . . . " " 18 . HN parsed_1mqy 1
31 1 2 . . . . . . . . " " 17 . HA parsed_1mqy 1
32 1 1 . . . . . . . . " " 18 . HN parsed_1mqy 1
32 1 2 . . . . . . . . " " 18 . HA parsed_1mqy 1
33 1 1 . . . . . . . . " " 18 . HN parsed_1mqy 1
33 1 2 . . . . . . . . " " 18 . HB2 parsed_1mqy 1
34 1 1 . . . . . . . . " " 20 . HN parsed_1mqy 1
34 1 2 . . . . . . . . " " 19 . HA parsed_1mqy 1
35 1 1 . . . . . . . . " " 20 . HN parsed_1mqy 1
35 1 2 . . . . . . . . " " 19 . HD1% parsed_1mqy 1
36 1 1 . . . . . . . . " " 5 . HN parsed_1mqy 1
36 1 2 . . . . . . . . " " 4 . HB parsed_1mqy 1
37 1 1 . . . . . . . . " " 5 . HN parsed_1mqy 1
37 1 2 . . . . . . . . " " 5 . HA parsed_1mqy 1
38 1 1 . . . . . . . . " " 5 . HN parsed_1mqy 1
38 1 2 . . . . . . . . " " 3 . HA parsed_1mqy 1
39 1 1 . . . . . . . . " " 5 . HN parsed_1mqy 1
39 1 2 . . . . . . . . " " 4 . HA parsed_1mqy 1
40 1 1 . . . . . . . . " " 5 . HN parsed_1mqy 1
40 1 2 . . . . . . . . " " 5 . HG parsed_1mqy 1
41 2 1 . . . . . . . . " " 5 . HN parsed_1mqy 1
41 2 2 . . . . . . . . " " 5 . HB2 parsed_1mqy 1
41 3 1 . . . . . . . . " " 5 . HN parsed_1mqy 1
41 3 2 . . . . . . . . " " 5 . HB1 parsed_1mqy 1
42 2 1 . . . . . . . . " " 5 . HN parsed_1mqy 1
42 2 2 . . . . . . . . " " 5 . HD1% parsed_1mqy 1
42 3 1 . . . . . . . . " " 5 . HN parsed_1mqy 1
42 3 2 . . . . . . . . " " 5 . HD2% parsed_1mqy 1
43 1 1 . . . . . . . . " " 5 . HN parsed_1mqy 1
43 1 2 . . . . . . . . " " 4 . HG2% parsed_1mqy 1
44 1 1 . . . . . . . . " " 4 . HN parsed_1mqy 1
44 1 2 . . . . . . . . " " 3 . HA parsed_1mqy 1
45 1 1 . . . . . . . . " " 4 . HN parsed_1mqy 1
45 1 2 . . . . . . . . " " 4 . HB parsed_1mqy 1
46 1 1 . . . . . . . . " " 4 . HN parsed_1mqy 1
46 1 2 . . . . . . . . " " 4 . HA parsed_1mqy 1
47 1 1 . . . . . . . . " " 4 . HN parsed_1mqy 1
47 1 2 . . . . . . . . " " 3 . HB1 parsed_1mqy 1
48 1 1 . . . . . . . . " " 4 . HN parsed_1mqy 1
48 1 2 . . . . . . . . " " 4 . HG2% parsed_1mqy 1
49 1 1 . . . . . . . . " " 13 . HN parsed_1mqy 1
49 1 2 . . . . . . . . " " 12 . HB2 parsed_1mqy 1
50 1 1 . . . . . . . . " " 14 . HN parsed_1mqy 1
50 1 2 . . . . . . . . " " 14 . HB2 parsed_1mqy 1
51 1 1 . . . . . . . . " " 10 . HN parsed_1mqy 1
51 1 2 . . . . . . . . " " 9 . HA2 parsed_1mqy 1
52 1 1 . . . . . . . . " " 10 . HN parsed_1mqy 1
52 1 2 . . . . . . . . " " 10 . HA1 parsed_1mqy 1
53 1 1 . . . . . . . . " " 10 . HN parsed_1mqy 1
53 1 2 . . . . . . . . " " 9 . HA1 parsed_1mqy 1
54 1 1 . . . . . . . . " " 2 . HN parsed_1mqy 1
54 1 2 . . . . . . . . " " 2 . HB parsed_1mqy 1
55 1 1 . . . . . . . . " " 2 . HN parsed_1mqy 1
55 1 2 . . . . . . . . " " 2 . HG2% parsed_1mqy 1
56 2 1 . . . . . . . . " " 14 . HN parsed_1mqy 1
56 2 2 . . . . . . . . " " 14 . HD2% parsed_1mqy 1
56 3 1 . . . . . . . . " " 14 . HN parsed_1mqy 1
56 3 2 . . . . . . . . " " 14 . HD1% parsed_1mqy 1
57 1 1 . . . . . . . . " " 2 . HN parsed_1mqy 1
57 1 2 . . . . . . . . " " 2 . HA parsed_1mqy 1
58 1 1 . . . . . . . . " " 19 . HN parsed_1mqy 1
58 1 2 . . . . . . . . " " 19 . HB parsed_1mqy 1
59 2 1 . . . . . . . . " " 19 . HN parsed_1mqy 1
59 2 2 . . . . . . . . " " 19 . HG11 parsed_1mqy 1
59 3 1 . . . . . . . . " " 19 . HN parsed_1mqy 1
59 3 2 . . . . . . . . " " 19 . HG12 parsed_1mqy 1
59 4 1 . . . . . . . . " " 19 . HN parsed_1mqy 1
59 4 2 . . . . . . . . " " 19 . HG2% parsed_1mqy 1
60 1 1 . . . . . . . . " " 3 . HE% parsed_1mqy 1
60 1 2 . . . . . . . . " " 4 . HG2% parsed_1mqy 1
61 1 1 . . . . . . . . " " 3 . HD% parsed_1mqy 1
61 1 2 . . . . . . . . " " 4 . HG2% parsed_1mqy 1
62 1 1 . . . . . . . . " " 20 . HA parsed_1mqy 1
62 1 2 . . . . . . . . " " 16 . HB1 parsed_1mqy 1
63 1 1 . . . . . . . . " " 20 . HA parsed_1mqy 1
63 1 2 . . . . . . . . " " 15 . HB parsed_1mqy 1
64 1 1 . . . . . . . . " " 11 . HN parsed_1mqy 1
64 1 2 . . . . . . . . " " 10 . HN parsed_1mqy 1
65 1 1 . . . . . . . . " " 20 . HN parsed_1mqy 1
65 1 2 . . . . . . . . " " 19 . HN parsed_1mqy 1
66 1 1 . . . . . . . . " " 20 . HN parsed_1mqy 1
66 1 2 . . . . . . . . " " 20 . HA parsed_1mqy 1
67 1 1 . . . . . . . . " " 16 . HB1 parsed_1mqy 1
67 1 2 . . . . . . . . " " 16 . HB2 parsed_1mqy 1
68 1 1 . . . . . . . . " " 18 . HB2 parsed_1mqy 1
68 1 2 . . . . . . . . " " 18 . HA parsed_1mqy 1
69 1 1 . . . . . . . . " " 3 . HB1 parsed_1mqy 1
69 1 2 . . . . . . . . " " 2 . HB parsed_1mqy 1
70 1 1 . . . . . . . . " " 3 . HB2 parsed_1mqy 1
70 1 2 . . . . . . . . " " 3 . HA parsed_1mqy 1
71 1 1 . . . . . . . . " " 18 . HB1 parsed_1mqy 1
71 1 2 . . . . . . . . " " 18 . HA parsed_1mqy 1
72 1 1 . . . . . . . . " " 12 . HB1 parsed_1mqy 1
72 1 2 . . . . . . . . " " 4 . HB parsed_1mqy 1
73 1 1 . . . . . . . . " " 12 . HB2 parsed_1mqy 1
73 1 2 . . . . . . . . " " 12 . HA parsed_1mqy 1
74 1 1 . . . . . . . . " " 12 . HB2 parsed_1mqy 1
74 1 2 . . . . . . . . " " 6 . HD1 parsed_1mqy 1
75 1 1 . . . . . . . . " " 12 . HB2 parsed_1mqy 1
75 1 2 . . . . . . . . " " 4 . HB parsed_1mqy 1
76 1 1 . . . . . . . . " " 17 . HB1 parsed_1mqy 1
76 1 2 . . . . . . . . " " 17 . HA parsed_1mqy 1
77 1 1 . . . . . . . . " " 6 . HB2 parsed_1mqy 1
77 1 2 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
78 1 1 . . . . . . . . " " 6 . HG1 parsed_1mqy 1
78 1 2 . . . . . . . . " " 6 . HA parsed_1mqy 1
79 1 1 . . . . . . . . " " 6 . HG1 parsed_1mqy 1
79 1 2 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
80 1 1 . . . . . . . . " " 6 . HG1 parsed_1mqy 1
80 1 2 . . . . . . . . " " 6 . HD1 parsed_1mqy 1
81 1 1 . . . . . . . . " " 5 . HG parsed_1mqy 1
81 1 2 . . . . . . . . " " 5 . HA parsed_1mqy 1
82 2 1 . . . . . . . . " " 5 . HB1 parsed_1mqy 1
82 2 2 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
82 3 1 . . . . . . . . " " 5 . HB2 parsed_1mqy 1
82 3 2 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
83 1 1 . . . . . . . . " " 19 . HG12 parsed_1mqy 1
83 1 2 . . . . . . . . " " 19 . HA parsed_1mqy 1
84 2 1 . . . . . . . . " " 11 . HG1% parsed_1mqy 1
84 2 2 . . . . . . . . " " 11 . HA parsed_1mqy 1
84 3 1 . . . . . . . . " " 11 . HG2% parsed_1mqy 1
84 3 2 . . . . . . . . " " 11 . HA parsed_1mqy 1
85 2 1 . . . . . . . . " " 11 . HG1% parsed_1mqy 1
85 2 2 . . . . . . . . " " 12 . HA parsed_1mqy 1
85 3 1 . . . . . . . . " " 11 . HG2% parsed_1mqy 1
85 3 2 . . . . . . . . " " 12 . HA parsed_1mqy 1
86 2 1 . . . . . . . . " " 11 . HG2% parsed_1mqy 1
86 2 2 . . . . . . . . " " 10 . HA1 parsed_1mqy 1
86 3 1 . . . . . . . . " " 11 . HG1% parsed_1mqy 1
86 3 2 . . . . . . . . " " 10 . HA1 parsed_1mqy 1
87 1 1 . . . . . . . . " " 11 . HG1% parsed_1mqy 1
87 1 2 . . . . . . . . " " 10 . HA2 parsed_1mqy 1
88 2 1 . . . . . . . . " " 5 . HD1% parsed_1mqy 1
88 2 2 . . . . . . . . " " 2 . HA parsed_1mqy 1
88 3 1 . . . . . . . . " " 5 . HD2% parsed_1mqy 1
88 3 2 . . . . . . . . " " 2 . HA parsed_1mqy 1
89 1 1 . . . . . . . . " " 4 . HG2% parsed_1mqy 1
89 1 2 . . . . . . . . " " 4 . HB parsed_1mqy 1
90 1 1 . . . . . . . . " " 4 . HG2% parsed_1mqy 1
90 1 2 . . . . . . . . " " 4 . HA parsed_1mqy 1
91 1 1 . . . . . . . . " " 14 . HB1 parsed_1mqy 1
91 1 2 . . . . . . . . " " 14 . HA parsed_1mqy 1
92 1 1 . . . . . . . . " " 15 . HG2% parsed_1mqy 1
92 1 2 . . . . . . . . " " 14 . HA parsed_1mqy 1
93 1 1 . . . . . . . . " " 14 . HD2% parsed_1mqy 1
93 1 2 . . . . . . . . " " 14 . HA parsed_1mqy 1
94 1 1 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
94 1 2 . . . . . . . . " " 5 . HA parsed_1mqy 1
95 1 1 . . . . . . . . " " 6 . HD1 parsed_1mqy 1
95 1 2 . . . . . . . . " " 5 . HA parsed_1mqy 1
96 1 1 . . . . . . . . " " 4 . HB parsed_1mqy 1
96 1 2 . . . . . . . . " " 4 . HA parsed_1mqy 1
97 1 1 . . . . . . . . " " 2 . HB parsed_1mqy 1
97 1 2 . . . . . . . . " " 2 . HA parsed_1mqy 1
98 1 1 . . . . . . . . " " 10 . HA2 parsed_1mqy 1
98 1 2 . . . . . . . . " " 10 . HA1 parsed_1mqy 1
99 1 1 . . . . . . . . " " 7 . HA1 parsed_1mqy 1
99 1 2 . . . . . . . . " " 7 . HA2 parsed_1mqy 1
100 1 1 . . . . . . . . " " 9 . HA1 parsed_1mqy 1
100 1 2 . . . . . . . . " " 9 . HA2 parsed_1mqy 1
101 1 1 . . . . . . . . " " 8 . HA2 parsed_1mqy 1
101 1 2 . . . . . . . . " " 8 . HA1 parsed_1mqy 1
102 1 1 . . . . . . . . " " 6 . HD1 parsed_1mqy 1
102 1 2 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
103 1 1 . . . . . . . . " " 18 . HB1 parsed_1mqy 1
103 1 2 . . . . . . . . " " 18 . HB2 parsed_1mqy 1
104 1 1 . . . . . . . . " " 3 . HB2 parsed_1mqy 1
104 1 2 . . . . . . . . " " 3 . HB1 parsed_1mqy 1
105 1 1 . . . . . . . . " " 12 . HB2 parsed_1mqy 1
105 1 2 . . . . . . . . " " 12 . HB1 parsed_1mqy 1
106 1 1 . . . . . . . . " " 14 . HG parsed_1mqy 1
106 1 2 . . . . . . . . " " 12 . HB1 parsed_1mqy 1
107 1 1 . . . . . . . . " " 4 . HG2% parsed_1mqy 1
107 1 2 . . . . . . . . " " 12 . HB1 parsed_1mqy 1
108 2 1 . . . . . . . . " " 17 . HB2 parsed_1mqy 1
108 2 2 . . . . . . . . " " 17 . HG1 parsed_1mqy 1
108 3 1 . . . . . . . . " " 17 . HB2 parsed_1mqy 1
108 3 2 . . . . . . . . " " 17 . HG2 parsed_1mqy 1
109 1 1 . . . . . . . . " " 6 . HG1 parsed_1mqy 1
109 1 2 . . . . . . . . " " 6 . HB2 parsed_1mqy 1
110 1 1 . . . . . . . . " " 14 . HB2 parsed_1mqy 1
110 1 2 . . . . . . . . " " 11 . HB parsed_1mqy 1
111 1 1 . . . . . . . . " " 14 . HB1 parsed_1mqy 1
111 1 2 . . . . . . . . " " 11 . HB parsed_1mqy 1
112 2 1 . . . . . . . . " " 19 . HG2% parsed_1mqy 1
112 2 2 . . . . . . . . " " 19 . HB parsed_1mqy 1
112 3 1 . . . . . . . . " " 19 . HG11 parsed_1mqy 1
112 3 2 . . . . . . . . " " 19 . HB parsed_1mqy 1
112 4 1 . . . . . . . . " " 19 . HG12 parsed_1mqy 1
112 4 2 . . . . . . . . " " 19 . HB parsed_1mqy 1
113 1 1 . . . . . . . . " " 14 . HB1 parsed_1mqy 1
113 1 2 . . . . . . . . " " 14 . HB2 parsed_1mqy 1
114 1 1 . . . . . . . . " " 15 . HG2% parsed_1mqy 1
114 1 2 . . . . . . . . " " 14 . HB2 parsed_1mqy 1
115 1 1 . . . . . . . . " " 14 . HD1% parsed_1mqy 1
115 1 2 . . . . . . . . " " 14 . HB2 parsed_1mqy 1
116 2 1 . . . . . . . . " " 5 . HD1% parsed_1mqy 1
116 2 2 . . . . . . . . " " 5 . HG parsed_1mqy 1
116 3 1 . . . . . . . . " " 5 . HD2% parsed_1mqy 1
116 3 2 . . . . . . . . " " 5 . HG parsed_1mqy 1
117 1 1 . . . . . . . . " " 14 . HD2% parsed_1mqy 1
117 1 2 . . . . . . . . " " 14 . HB1 parsed_1mqy 1
118 2 1 . . . . . . . . " " 5 . HD1% parsed_1mqy 1
118 2 2 . . . . . . . . " " 5 . HB2 parsed_1mqy 1
118 3 1 . . . . . . . . " " 5 . HD2% parsed_1mqy 1
118 3 2 . . . . . . . . " " 5 . HB1 parsed_1mqy 1
118 4 1 . . . . . . . . " " 5 . HD2% parsed_1mqy 1
118 4 2 . . . . . . . . " " 5 . HB2 parsed_1mqy 1
119 1 1 . . . . . . . . " " 20 . HA parsed_1mqy 1
119 1 2 . . . . . . . . " " 19 . HA parsed_1mqy 1
120 1 1 . . . . . . . . " " 3 . HD% parsed_1mqy 1
120 1 2 . . . . . . . . " " 17 . HB1 parsed_1mqy 1
121 1 1 . . . . . . . . " " 17 . HN parsed_1mqy 1
121 1 2 . . . . . . . . " " 16 . HB2 parsed_1mqy 1
122 1 1 . . . . . . . . " " 17 . HN parsed_1mqy 1
122 1 2 . . . . . . . . " " 16 . HB1 parsed_1mqy 1
123 1 1 . . . . . . . . " " 17 . HN parsed_1mqy 1
123 1 2 . . . . . . . . " " 15 . HA parsed_1mqy 1
124 1 1 . . . . . . . . " " 12 . HN parsed_1mqy 1
124 1 2 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
125 1 1 . . . . . . . . " " 15 . HN parsed_1mqy 1
125 1 2 . . . . . . . . " " 15 . HB parsed_1mqy 1
126 1 1 . . . . . . . . " " 15 . HN parsed_1mqy 1
126 1 2 . . . . . . . . " " 14 . HB2 parsed_1mqy 1
127 1 1 . . . . . . . . " " 18 . HN parsed_1mqy 1
127 1 2 . . . . . . . . " " 17 . HB1 parsed_1mqy 1
128 1 1 . . . . . . . . " " 18 . HN parsed_1mqy 1
128 1 2 . . . . . . . . " " 17 . HB2 parsed_1mqy 1
129 1 1 . . . . . . . . " " 4 . HN parsed_1mqy 1
129 1 2 . . . . . . . . " " 2 . HA parsed_1mqy 1
130 1 1 . . . . . . . . " " 5 . HN parsed_1mqy 1
130 1 2 . . . . . . . . " " 2 . HA parsed_1mqy 1
131 1 1 . . . . . . . . " " 5 . HN parsed_1mqy 1
131 1 2 . . . . . . . . " " 6 . HD1 parsed_1mqy 1
132 1 1 . . . . . . . . " " 4 . HN parsed_1mqy 1
132 1 2 . . . . . . . . " " 3 . HB2 parsed_1mqy 1
133 1 1 . . . . . . . . " " 5 . HN parsed_1mqy 1
133 1 2 . . . . . . . . " " 12 . HB2 parsed_1mqy 1
134 2 1 . . . . . . . . " " 14 . HN parsed_1mqy 1
134 2 2 . . . . . . . . " " 17 . HG2 parsed_1mqy 1
134 3 1 . . . . . . . . " " 14 . HN parsed_1mqy 1
134 3 2 . . . . . . . . " " 17 . HG1 parsed_1mqy 1
135 1 1 . . . . . . . . " " 4 . HN parsed_1mqy 1
135 1 2 . . . . . . . . " " 5 . HG parsed_1mqy 1
136 1 1 . . . . . . . . " " 12 . HN parsed_1mqy 1
136 1 2 . . . . . . . . " " 6 . HG1 parsed_1mqy 1
137 1 1 . . . . . . . . " " 11 . HN parsed_1mqy 1
137 1 2 . . . . . . . . " " 14 . HB2 parsed_1mqy 1
138 1 1 . . . . . . . . " " 11 . HN parsed_1mqy 1
138 1 2 . . . . . . . . " " 14 . HB1 parsed_1mqy 1
139 1 1 . . . . . . . . " " 3 . HD% parsed_1mqy 1
139 1 2 . . . . . . . . " " 4 . HA parsed_1mqy 1
140 1 1 . . . . . . . . " " 10 . HN parsed_1mqy 1
140 1 2 . . . . . . . . " " 6 . HB1 parsed_1mqy 1
141 1 1 . . . . . . . . " " 9 . HN parsed_1mqy 1
141 1 2 . . . . . . . . " " 6 . HB1 parsed_1mqy 1
142 1 1 . . . . . . . . " " 12 . HN parsed_1mqy 1
142 1 2 . . . . . . . . " " 11 . HN parsed_1mqy 1
143 1 1 . . . . . . . . " " 3 . HN parsed_1mqy 1
143 1 2 . . . . . . . . " " 4 . HN parsed_1mqy 1
144 1 1 . . . . . . . . " " 14 . HD1% parsed_1mqy 1
144 1 2 . . . . . . . . " " 14 . HB1 parsed_1mqy 1
145 1 1 . . . . . . . . " " 15 . HN parsed_1mqy 1
145 1 2 . . . . . . . . " " 20 . HN parsed_1mqy 1
146 1 1 . . . . . . . . " " 19 . HA parsed_1mqy 1
146 1 2 . . . . . . . . " " 18 . HA parsed_1mqy 1
147 1 1 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
147 1 2 . . . . . . . . " " 6 . HA parsed_1mqy 1
148 1 1 . . . . . . . . " " 6 . HD1 parsed_1mqy 1
148 1 2 . . . . . . . . " " 6 . HA parsed_1mqy 1
149 1 1 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
149 1 2 . . . . . . . . " " 11 . HA parsed_1mqy 1
150 1 1 . . . . . . . . " " 18 . HB2 parsed_1mqy 1
150 1 2 . . . . . . . . " " 14 . HA parsed_1mqy 1
151 1 1 . . . . . . . . " " 18 . HB2 parsed_1mqy 1
151 1 2 . . . . . . . . " " 13 . HA parsed_1mqy 1
152 1 1 . . . . . . . . " " 3 . HB1 parsed_1mqy 1
152 1 2 . . . . . . . . " " 2 . HA parsed_1mqy 1
153 1 1 . . . . . . . . " " 18 . HB1 parsed_1mqy 1
153 1 2 . . . . . . . . " " 14 . HA parsed_1mqy 1
154 1 1 . . . . . . . . " " 1 . HB1 parsed_1mqy 1
154 1 2 . . . . . . . . " " 2 . HB parsed_1mqy 1
155 1 1 . . . . . . . . " " 6 . HG1 parsed_1mqy 1
155 1 2 . . . . . . . . " " 5 . HA parsed_1mqy 1
156 1 1 . . . . . . . . " " 6 . HG1 parsed_1mqy 1
156 1 2 . . . . . . . . " " 12 . HB2 parsed_1mqy 1
157 1 1 . . . . . . . . " " 14 . HB1 parsed_1mqy 1
157 1 2 . . . . . . . . " " 11 . HA parsed_1mqy 1
158 1 1 . . . . . . . . " " 4 . HG2% parsed_1mqy 1
158 1 2 . . . . . . . . " " 3 . HA parsed_1mqy 1
159 1 1 . . . . . . . . " " 19 . HG2% parsed_1mqy 1
159 1 2 . . . . . . . . " " 18 . HB1 parsed_1mqy 1
160 1 1 . . . . . . . . " " 11 . HG2% parsed_1mqy 1
160 1 2 . . . . . . . . " " 12 . HB1 parsed_1mqy 1
161 1 1 . . . . . . . . " " 11 . HG2% parsed_1mqy 1
161 1 2 . . . . . . . . " " 12 . HB2 parsed_1mqy 1
162 1 1 . . . . . . . . " " 19 . HB parsed_1mqy 1
162 1 2 . . . . . . . . " " 18 . HB2 parsed_1mqy 1
163 1 1 . . . . . . . . " " 19 . HB parsed_1mqy 1
163 1 2 . . . . . . . . " " 18 . HB1 parsed_1mqy 1
164 1 1 . . . . . . . . " " 12 . HB1 parsed_1mqy 1
164 1 2 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
165 1 1 . . . . . . . . " " 7 . HA2 parsed_1mqy 1
165 1 2 . . . . . . . . " " 6 . HA parsed_1mqy 1
166 1 1 . . . . . . . . " " 7 . HA1 parsed_1mqy 1
166 1 2 . . . . . . . . " " 6 . HA parsed_1mqy 1
167 1 1 . . . . . . . . " " 10 . HA1 parsed_1mqy 1
167 1 2 . . . . . . . . " " 6 . HA parsed_1mqy 1
168 1 1 . . . . . . . . " " 10 . HA2 parsed_1mqy 1
168 1 2 . . . . . . . . " " 6 . HA parsed_1mqy 1
169 1 1 . . . . . . . . " " 19 . HG11 parsed_1mqy 1
169 1 2 . . . . . . . . " " 18 . HA parsed_1mqy 1
170 1 1 . . . . . . . . " " 6 . HG2 parsed_1mqy 1
170 1 2 . . . . . . . . " " 12 . HA parsed_1mqy 1
171 1 1 . . . . . . . . " " 11 . HN parsed_1mqy 1
171 1 2 . . . . . . . . " " 12 . HA parsed_1mqy 1
172 1 1 . . . . . . . . " " 16 . HN parsed_1mqy 1
172 1 2 . . . . . . . . " " 16 . HB1 parsed_1mqy 1
173 1 1 . . . . . . . . " " 16 . HN parsed_1mqy 1
173 1 2 . . . . . . . . " " 17 . HN parsed_1mqy 1
174 1 1 . . . . . . . . " " 16 . HN parsed_1mqy 1
174 1 2 . . . . . . . . " " 15 . HG2% parsed_1mqy 1
175 1 1 . . . . . . . . " " 7 . HN parsed_1mqy 1
175 1 2 . . . . . . . . " " 6 . HA parsed_1mqy 1
176 1 1 . . . . . . . . " " 3 . HN parsed_1mqy 1
176 1 2 . . . . . . . . " " 3 . HB1 parsed_1mqy 1
177 1 1 . . . . . . . . " " 11 . HN parsed_1mqy 1
177 1 2 . . . . . . . . " " 10 . HA2 parsed_1mqy 1
178 1 1 . . . . . . . . " " 9 . HN parsed_1mqy 1
178 1 2 . . . . . . . . " " 9 . HA2 parsed_1mqy 1
179 1 1 . . . . . . . . " " 18 . HN parsed_1mqy 1
179 1 2 . . . . . . . . " " 18 . HB1 parsed_1mqy 1
180 2 1 . . . . . . . . " " 18 . HN parsed_1mqy 1
180 2 2 . . . . . . . . " " 17 . HG2 parsed_1mqy 1
180 3 1 . . . . . . . . " " 18 . HN parsed_1mqy 1
180 3 2 . . . . . . . . " " 17 . HG1 parsed_1mqy 1
181 1 1 . . . . . . . . " " 20 . HN parsed_1mqy 1
181 1 2 . . . . . . . . " " 19 . HB parsed_1mqy 1
182 1 1 . . . . . . . . " " 13 . HN parsed_1mqy 1
182 1 2 . . . . . . . . " " 12 . HA parsed_1mqy 1
183 1 1 . . . . . . . . " " 13 . HN parsed_1mqy 1
183 1 2 . . . . . . . . " " 12 . HB1 parsed_1mqy 1
184 1 1 . . . . . . . . " " 14 . HN parsed_1mqy 1
184 1 2 . . . . . . . . " " 14 . HG parsed_1mqy 1
185 1 1 . . . . . . . . " " 14 . HN parsed_1mqy 1
185 1 2 . . . . . . . . " " 14 . HA parsed_1mqy 1
186 1 1 . . . . . . . . " " 10 . HN parsed_1mqy 1
186 1 2 . . . . . . . . " " 10 . HA2 parsed_1mqy 1
187 1 1 . . . . . . . . " " 19 . HN parsed_1mqy 1
187 1 2 . . . . . . . . " " 18 . HA parsed_1mqy 1
188 1 1 . . . . . . . . " " 19 . HN parsed_1mqy 1
188 1 2 . . . . . . . . " " 19 . HA parsed_1mqy 1
189 1 1 . . . . . . . . " " 19 . HN parsed_1mqy 1
189 1 2 . . . . . . . . " " 18 . HB2 parsed_1mqy 1
190 1 1 . . . . . . . . " " 19 . HN parsed_1mqy 1
190 1 2 . . . . . . . . " " 18 . HB1 parsed_1mqy 1
191 1 1 . . . . . . . . " " 3 . HZ parsed_1mqy 1
191 1 2 . . . . . . . . " " 4 . HG2% parsed_1mqy 1
192 1 1 . . . . . . . . " " 20 . HA parsed_1mqy 1
192 1 2 . . . . . . . . " " 16 . HB2 parsed_1mqy 1
193 1 1 . . . . . . . . " " 20 . HA parsed_1mqy 1
193 1 2 . . . . . . . . " " 19 . HG2% parsed_1mqy 1
194 1 1 . . . . . . . . " " 8 . HN parsed_1mqy 1
194 1 2 . . . . . . . . " " 9 . HN parsed_1mqy 1
195 1 1 . . . . . . . . " " 17 . HN parsed_1mqy 1
195 1 2 . . . . . . . . " " 18 . HN parsed_1mqy 1
196 1 1 . . . . . . . . " " 3 . HN parsed_1mqy 1
196 1 2 . . . . . . . . " " 2 . HN parsed_1mqy 1
197 1 1 . . . . . . . . " " 9 . HN parsed_1mqy 1
197 1 2 . . . . . . . . " " 10 . HN parsed_1mqy 1
198 1 1 . . . . . . . . " " 3 . HB1 parsed_1mqy 1
198 1 2 . . . . . . . . " " 3 . HA parsed_1mqy 1
199 1 1 . . . . . . . . " " 18 . HB1 parsed_1mqy 1
199 1 2 . . . . . . . . " " 13 . HA parsed_1mqy 1
200 1 1 . . . . . . . . " " 12 . HB1 parsed_1mqy 1
200 1 2 . . . . . . . . " " 12 . HA parsed_1mqy 1
201 1 1 . . . . . . . . " " 6 . HB2 parsed_1mqy 1
201 1 2 . . . . . . . . " " 6 . HA parsed_1mqy 1
202 1 1 . . . . . . . . " " 6 . HB2 parsed_1mqy 1
202 1 2 . . . . . . . . " " 6 . HD1 parsed_1mqy 1
203 1 1 . . . . . . . . " " 19 . HB parsed_1mqy 1
203 1 2 . . . . . . . . " " 19 . HA parsed_1mqy 1
204 1 1 . . . . . . . . " " 11 . HB parsed_1mqy 1
204 1 2 . . . . . . . . " " 11 . HA parsed_1mqy 1
205 1 1 . . . . . . . . " " 17 . HB2 parsed_1mqy 1
205 1 2 . . . . . . . . " " 17 . HA parsed_1mqy 1
206 1 1 . . . . . . . . " " 6 . HG2 parsed_1mqy 1
206 1 2 . . . . . . . . " " 6 . HA parsed_1mqy 1
207 1 1 . . . . . . . . " " 6 . HG2 parsed_1mqy 1
207 1 2 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
208 1 1 . . . . . . . . " " 6 . HG2 parsed_1mqy 1
208 1 2 . . . . . . . . " " 6 . HD1 parsed_1mqy 1
209 1 1 . . . . . . . . " " 19 . HG11 parsed_1mqy 1
209 1 2 . . . . . . . . " " 19 . HA parsed_1mqy 1
210 1 1 . . . . . . . . " " 5 . HG parsed_1mqy 1
210 1 2 . . . . . . . . " " 6 . HD1 parsed_1mqy 1
211 2 1 . . . . . . . . " " 14 . HD2% parsed_1mqy 1
211 2 2 . . . . . . . . " " 13 . HA parsed_1mqy 1
211 3 1 . . . . . . . . " " 14 . HD1% parsed_1mqy 1
211 3 2 . . . . . . . . " " 13 . HA parsed_1mqy 1
212 2 1 . . . . . . . . " " 5 . HD2% parsed_1mqy 1
212 2 2 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
212 3 1 . . . . . . . . " " 5 . HD1% parsed_1mqy 1
212 3 2 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
213 2 1 . . . . . . . . " " 5 . HD2% parsed_1mqy 1
213 2 2 . . . . . . . . " " 6 . HD1 parsed_1mqy 1
213 3 1 . . . . . . . . " " 5 . HD1% parsed_1mqy 1
213 3 2 . . . . . . . . " " 6 . HD1 parsed_1mqy 1
214 1 1 . . . . . . . . " " 5 . HD1% parsed_1mqy 1
214 1 2 . . . . . . . . " " 2 . HA parsed_1mqy 1
215 1 1 . . . . . . . . " " 14 . HB2 parsed_1mqy 1
215 1 2 . . . . . . . . " " 14 . HA parsed_1mqy 1
216 1 1 . . . . . . . . " " 15 . HB parsed_1mqy 1
216 1 2 . . . . . . . . " " 15 . HA parsed_1mqy 1
217 1 1 . . . . . . . . " " 4 . HB parsed_1mqy 1
217 1 2 . . . . . . . . " " 12 . HA parsed_1mqy 1
218 1 1 . . . . . . . . " " 1 . HB1 parsed_1mqy 1
218 1 2 . . . . . . . . " " 1 . HB2 parsed_1mqy 1
219 1 1 . . . . . . . . " " 4 . HG2% parsed_1mqy 1
219 1 2 . . . . . . . . " " 12 . HB2 parsed_1mqy 1
220 1 1 . . . . . . . . " " 6 . HG2 parsed_1mqy 1
220 1 2 . . . . . . . . " " 6 . HB2 parsed_1mqy 1
221 1 1 . . . . . . . . " " 20 . HA parsed_1mqy 1
221 1 2 . . . . . . . . " " 15 . HG2% parsed_1mqy 1
222 2 1 . . . . . . . . " " 3 . HD% parsed_1mqy 1
222 2 2 . . . . . . . . " " 17 . HG1 parsed_1mqy 1
222 3 1 . . . . . . . . " " 3 . HD% parsed_1mqy 1
222 3 2 . . . . . . . . " " 17 . HG2 parsed_1mqy 1
223 1 1 . . . . . . . . " " 12 . HN parsed_1mqy 1
223 1 2 . . . . . . . . " " 6 . HD1 parsed_1mqy 1
224 2 1 . . . . . . . . " " 20 . HN parsed_1mqy 1
224 2 2 . . . . . . . . " " 19 . HG2% parsed_1mqy 1
224 3 1 . . . . . . . . " " 20 . HN parsed_1mqy 1
224 3 2 . . . . . . . . " " 19 . HG11 parsed_1mqy 1
225 1 1 . . . . . . . . " " 5 . HN parsed_1mqy 1
225 1 2 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
226 2 1 . . . . . . . . " " 4 . HN parsed_1mqy 1
226 2 2 . . . . . . . . " " 5 . HB2 parsed_1mqy 1
226 3 1 . . . . . . . . " " 4 . HN parsed_1mqy 1
226 3 2 . . . . . . . . " " 5 . HB1 parsed_1mqy 1
227 1 1 . . . . . . . . " " 12 . HN parsed_1mqy 1
227 1 2 . . . . . . . . " " 6 . HG2 parsed_1mqy 1
228 1 1 . . . . . . . . " " 3 . HN parsed_1mqy 1
228 1 2 . . . . . . . . " " 3 . HD% parsed_1mqy 1
229 1 1 . . . . . . . . " " 4 . HN parsed_1mqy 1
229 1 2 . . . . . . . . " " 3 . HD% parsed_1mqy 1
230 1 1 . . . . . . . . " " 8 . HN parsed_1mqy 1
230 1 2 . . . . . . . . " " 10 . HN parsed_1mqy 1
231 1 1 . . . . . . . . " " 15 . HN parsed_1mqy 1
231 1 2 . . . . . . . . " " 19 . HN parsed_1mqy 1
232 1 1 . . . . . . . . " " 10 . HN parsed_1mqy 1
232 1 2 . . . . . . . . " " 11 . HA parsed_1mqy 1
233 1 1 . . . . . . . . " " 6 . HD1 parsed_1mqy 1
233 1 2 . . . . . . . . " " 11 . HA parsed_1mqy 1
234 1 1 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
234 1 2 . . . . . . . . " " 12 . HA parsed_1mqy 1
235 1 1 . . . . . . . . " " 2 . HB parsed_1mqy 1
235 1 2 . . . . . . . . " " 3 . HA parsed_1mqy 1
236 1 1 . . . . . . . . " " 12 . HB1 parsed_1mqy 1
236 1 2 . . . . . . . . " " 11 . HA parsed_1mqy 1
237 1 1 . . . . . . . . " " 12 . HB2 parsed_1mqy 1
237 1 2 . . . . . . . . " " 11 . HA parsed_1mqy 1
238 1 1 . . . . . . . . " " 1 . HB1 parsed_1mqy 1
238 1 2 . . . . . . . . " " 1 . HA parsed_1mqy 1
239 1 1 . . . . . . . . " " 6 . HG2 parsed_1mqy 1
239 1 2 . . . . . . . . " " 5 . HA parsed_1mqy 1
240 1 1 . . . . . . . . " " 6 . HG2 parsed_1mqy 1
240 1 2 . . . . . . . . " " 12 . HB2 parsed_1mqy 1
241 1 1 . . . . . . . . " " 19 . HG11 parsed_1mqy 1
241 1 2 . . . . . . . . " " 18 . HB1 parsed_1mqy 1
242 1 1 . . . . . . . . " " 5 . HG parsed_1mqy 1
242 1 2 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
243 1 1 . . . . . . . . " " 4 . HG2% parsed_1mqy 1
243 1 2 . . . . . . . . " " 3 . HB1 parsed_1mqy 1
244 1 1 . . . . . . . . " " 4 . HG2% parsed_1mqy 1
244 1 2 . . . . . . . . " " 3 . HB2 parsed_1mqy 1
245 2 1 . . . . . . . . " " 5 . HD2% parsed_1mqy 1
245 2 2 . . . . . . . . " " 4 . HB parsed_1mqy 1
245 3 1 . . . . . . . . " " 5 . HD1% parsed_1mqy 1
245 3 2 . . . . . . . . " " 4 . HB parsed_1mqy 1
246 1 1 . . . . . . . . " " 16 . HN parsed_1mqy 1
246 1 2 . . . . . . . . " " 20 . HN parsed_1mqy 1
247 1 1 . . . . . . . . " " 16 . HN parsed_1mqy 1
247 1 2 . . . . . . . . " " 20 . HA parsed_1mqy 1
248 2 1 . . . . . . . . " " 5 . HD2% parsed_1mqy 1
248 2 2 . . . . . . . . " " 4 . HA parsed_1mqy 1
248 3 1 . . . . . . . . " " 5 . HD1% parsed_1mqy 1
248 3 2 . . . . . . . . " " 4 . HA parsed_1mqy 1
249 1 1 . . . . . . . . " " 7 . HN parsed_1mqy 1
249 1 2 . . . . . . . . " " 6 . HD2 parsed_1mqy 1
250 1 1 . . . . . . . . " " 19 . HG12 parsed_1mqy 1
250 1 2 . . . . . . . . " " 18 . HB1 parsed_1mqy 1
251 1 1 . . . . . . . . " " 6 . HG1 parsed_1mqy 1
251 1 2 . . . . . . . . " " 12 . HA parsed_1mqy 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 . 5 0.94368E-02 . . 2.200 1.600 2.800 parsed_1mqy 1
2 1 . 6 0.88421E-02 . . 2.200 1.600 2.800 parsed_1mqy 1
3 1 . 12 0.77266E-03 . . 3.300 1.900 4.700 parsed_1mqy 1
4 1 . 13 0.12776E-02 . . 3.000 1.800 4.200 parsed_1mqy 1
5 1 . 14 0.37715E-02 . . 2.500 1.700 3.300 parsed_1mqy 1
6 1 . 15 0.10534E-01 . . 2.100 1.500 2.700 parsed_1mqy 1
7 1 . 16 0.26875E-02 . . 2.700 1.800 3.600 parsed_1mqy 1
8 1 . 18 0.32791E-02 . . 2.600 1.800 3.400 parsed_1mqy 1
9 1 . 19 0.46264E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
10 1 . 20 0.15730E-02 . . 2.900 1.800 4.000 parsed_1mqy 1
11 1 . 21 0.30895E-02 . . 2.600 1.700 3.500 parsed_1mqy 1
12 1 . 22 0.25095E-02 . . 2.700 1.800 3.600 parsed_1mqy 1
13 1 . 23 0.85838E-02 . . 2.200 1.600 2.800 parsed_1mqy 1
14 1 . 24 0.88603E-02 . . 2.200 1.600 2.800 parsed_1mqy 1
15 1 . 26 0.39525E-02 . . 2.500 1.700 3.300 parsed_1mqy 1
16 1 . 27 0.11392E-02 . . 3.100 1.900 4.300 parsed_1mqy 1
17 1 . 28 0.24374E-02 . . 2.700 1.800 3.600 parsed_1mqy 1
18 2 . 29 0.30034E-02 . . 2.600 1.700 3.500 parsed_1mqy 1
18 3 . 29 0.30034E-02 . . 2.600 1.700 3.500 parsed_1mqy 1
19 1 . 30 0.16167E-02 . . 2.900 1.800 4.000 parsed_1mqy 1
20 1 . 31 0.29349E-02 . . 2.600 1.700 3.500 parsed_1mqy 1
21 1 . 32 0.25875E-02 . . 2.700 1.800 3.600 parsed_1mqy 1
22 1 . 33 0.83701E-02 . . 2.200 1.600 2.800 parsed_1mqy 1
23 1 . 34 0.89864E-03 . . 3.200 1.900 4.500 parsed_1mqy 1
24 1 . 35 0.50659E-03 . . 3.500 1.900 5.100 parsed_1mqy 1
25 1 . 36 0.26520E-02 . . 2.700 1.800 3.600 parsed_1mqy 1
26 1 . 38 0.19439E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
27 1 . 39 0.49790E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
28 1 . 41 0.30173E-02 . . 2.600 1.700 3.500 parsed_1mqy 1
29 1 . 42 0.53023E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
30 1 . 44 0.17102E-02 . . 2.900 1.900 3.900 parsed_1mqy 1
31 1 . 46 0.10293E-02 . . 3.100 1.900 4.300 parsed_1mqy 1
32 1 . 47 0.16810E-02 . . 2.900 1.900 3.900 parsed_1mqy 1
33 1 . 48 0.29012E-02 . . 2.600 1.700 3.500 parsed_1mqy 1
34 1 . 51 0.99892E-03 . . 3.200 2.000 4.400 parsed_1mqy 1
35 1 . 53 0.11936E-02 . . 3.100 1.900 4.300 parsed_1mqy 1
36 1 . 54 0.52620E-03 . . 3.500 2.000 5.000 parsed_1mqy 1
37 1 . 55 0.16244E-02 . . 2.900 1.800 4.000 parsed_1mqy 1
38 1 . 56 0.10776E-02 . . 3.100 1.900 4.300 parsed_1mqy 1
39 1 . 57 0.33215E-02 . . 2.600 1.800 3.400 parsed_1mqy 1
40 1 . 58 0.34747E-02 . . 2.600 1.800 3.400 parsed_1mqy 1
41 2 . 59 0.27938E-02 . . 2.700 1.800 3.600 parsed_1mqy 1
41 3 . 59 0.27938E-02 . . 2.700 1.800 3.600 parsed_1mqy 1
42 2 . 60 0.86584E-03 . . 3.200 1.900 4.500 parsed_1mqy 1
42 3 . 60 0.86584E-03 . . 3.200 1.900 4.500 parsed_1mqy 1
43 1 . 61 0.65152E-03 . . 3.400 2.000 4.800 parsed_1mqy 1
44 1 . 62 0.95591E-02 . . 2.200 1.600 2.800 parsed_1mqy 1
45 1 . 63 0.10526E-02 . . 3.100 1.900 4.300 parsed_1mqy 1
46 1 . 64 0.22293E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
47 1 . 65 0.45659E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
48 1 . 66 0.24102E-02 . . 2.700 1.800 3.600 parsed_1mqy 1
49 1 . 70 0.58227E-03 . . 3.500 2.000 5.000 parsed_1mqy 1
50 1 . 71 0.19087E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
51 1 . 74 0.17610E-02 . . 2.900 1.900 3.900 parsed_1mqy 1
52 1 . 75 0.41341E-02 . . 2.500 1.700 3.300 parsed_1mqy 1
53 1 . 77 0.20824E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
54 1 . 78 0.74240E-03 . . 3.300 1.900 4.700 parsed_1mqy 1
55 1 . 79 0.53970E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
56 2 . 80 0.15942E-02 . . 2.900 1.800 4.000 parsed_1mqy 1
56 3 . 80 0.15942E-02 . . 2.900 1.800 4.000 parsed_1mqy 1
57 1 . 81 0.12729E-01 . . 2.100 1.600 2.600 parsed_1mqy 1
58 1 . 87 0.39806E-02 . . 2.500 1.700 3.300 parsed_1mqy 1
59 2 . 88 0.17984E-02 . . 2.900 1.900 3.900 parsed_1mqy 1
59 3 . 88 0.17984E-02 . . 2.900 1.900 3.900 parsed_1mqy 1
59 4 . 88 0.17984E-02 . . 2.900 1.900 3.900 parsed_1mqy 1
60 1 . 90 0.14310E-02 . . 3.000 1.900 4.100 parsed_1mqy 1
61 1 . 96 0.21583E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
62 1 . 99 0.71328E-03 . . 3.300 1.900 4.700 parsed_1mqy 1
63 1 . 102 0.72936E-03 . . 3.300 1.900 4.700 parsed_1mqy 1
64 1 . 107 0.56963E-03 . . 3.500 2.000 5.000 parsed_1mqy 1
65 1 . 109 0.32385E-02 . . 2.600 1.800 3.400 parsed_1mqy 1
66 1 . 110 0.22368E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
67 1 . 113 0.29370E-01 . . 1.800 1.400 2.200 parsed_1mqy 1
68 1 . 119 0.21854E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
69 1 . 122 0.11082E-02 . . 3.100 1.900 4.300 parsed_1mqy 1
70 1 . 123 0.47185E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
71 1 . 124 0.52366E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
72 1 . 129 0.50704E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
73 1 . 131 0.50512E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
74 1 . 132 0.10779E-02 . . 3.100 1.900 4.300 parsed_1mqy 1
75 1 . 133 0.38727E-02 . . 2.500 1.700 3.300 parsed_1mqy 1
76 1 . 134 0.41264E-02 . . 2.500 1.700 3.300 parsed_1mqy 1
77 1 . 137 0.99336E-03 . . 3.200 1.900 4.500 parsed_1mqy 1
78 1 . 146 0.10201E-02 . . 3.100 1.900 4.300 parsed_1mqy 1
79 1 . 148 0.35297E-02 . . 2.600 1.800 3.400 parsed_1mqy 1
80 1 . 149 0.15259E-02 . . 2.900 1.800 4.000 parsed_1mqy 1
81 1 . 151 0.14797E-02 . . 3.000 1.900 4.100 parsed_1mqy 1
82 2 . 156 0.90911E-03 . . 3.200 1.900 4.500 parsed_1mqy 1
82 3 . 156 0.90911E-03 . . 3.200 1.900 4.500 parsed_1mqy 1
83 1 . 162 0.22450E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
84 2 . 165 0.11631E-01 . . 2.100 1.500 2.700 parsed_1mqy 1
84 3 . 165 0.11631E-01 . . 2.100 1.500 2.700 parsed_1mqy 1
85 2 . 166 0.54145E-03 . . 3.500 2.000 5.000 parsed_1mqy 1
85 3 . 166 0.54145E-03 . . 3.500 2.000 5.000 parsed_1mqy 1
86 2 . 167 0.75117E-03 . . 3.300 1.900 4.700 parsed_1mqy 1
86 3 . 167 0.75117E-03 . . 3.300 1.900 4.700 parsed_1mqy 1
87 1 . 168 0.66010E-03 . . 3.400 2.000 4.800 parsed_1mqy 1
88 2 . 173 0.69369E-03 . . 3.400 2.000 4.800 parsed_1mqy 1
88 3 . 173 0.69369E-03 . . 3.400 2.000 4.800 parsed_1mqy 1
89 1 . 174 0.89521E-02 . . 2.200 1.600 2.800 parsed_1mqy 1
90 1 . 175 0.83506E-02 . . 2.200 1.600 2.800 parsed_1mqy 1
91 1 . 178 0.42664E-02 . . 2.500 1.700 3.300 parsed_1mqy 1
92 1 . 181 0.10882E-02 . . 3.100 1.900 4.300 parsed_1mqy 1
93 1 . 182 0.36864E-02 . . 2.500 1.700 3.300 parsed_1mqy 1
94 1 . 187 0.56061E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
95 1 . 188 0.48665E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
96 1 . 190 0.77473E-02 . . 2.200 1.600 2.800 parsed_1mqy 1
97 1 . 191 0.10135E-01 . . 2.100 1.500 2.700 parsed_1mqy 1
98 1 . 193 0.29212E-01 . . 1.800 1.400 2.200 parsed_1mqy 1
99 1 . 194 0.22673E-01 . . 1.900 1.500 2.300 parsed_1mqy 1
100 1 . 196 0.17766E-01 . . 2.000 1.500 2.500 parsed_1mqy 1
101 1 . 197 0.16815E-01 . . 2.000 1.500 2.500 parsed_1mqy 1
102 1 . 198 0.30558E-01 . . 1.800 1.400 2.200 parsed_1mqy 1
103 1 . 199 0.26501E-01 . . 1.800 1.400 2.200 parsed_1mqy 1
104 1 . 200 0.42815E-01 . . 1.700 1.300 2.200 parsed_1mqy 1
105 1 . 201 0.35322E-01 . . 1.700 1.300 2.200 parsed_1mqy 1
106 1 . 207 0.86261E-03 . . 3.200 1.900 4.500 parsed_1mqy 1
107 1 . 209 0.15495E-02 . . 2.900 1.800 4.000 parsed_1mqy 1
108 2 . 212 0.55009E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
108 3 . 212 0.55009E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
109 1 . 215 0.29456E-02 . . 2.600 1.700 3.500 parsed_1mqy 1
110 1 . 216 0.18935E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
111 1 . 219 0.19549E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
112 2 . 220 0.29456E-02 . . 2.600 1.700 3.500 parsed_1mqy 1
112 3 . 220 0.29456E-02 . . 2.600 1.700 3.500 parsed_1mqy 1
112 4 . 220 0.29456E-02 . . 2.600 1.700 3.500 parsed_1mqy 1
113 1 . 223 0.32942E-01 . . 1.800 1.400 2.200 parsed_1mqy 1
114 1 . 225 0.15516E-02 . . 2.900 1.800 4.000 parsed_1mqy 1
115 1 . 230 0.62017E-02 . . 2.300 1.600 3.000 parsed_1mqy 1
116 2 . 232 0.58991E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
116 3 . 232 0.58991E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
117 1 . 233 0.12463E-01 . . 2.100 1.600 2.600 parsed_1mqy 1
118 2 . 239 0.14541E-01 . . 2.000 1.500 2.500 parsed_1mqy 1
118 3 . 239 0.14541E-01 . . 2.000 1.500 2.500 parsed_1mqy 1
118 4 . 239 0.14541E-01 . . 2.000 1.500 2.500 parsed_1mqy 1
119 1 . 240 0.43652E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
120 1 . 242 0.31503E-03 . . 3.800 2.000 5.600 parsed_1mqy 1
121 1 . 246 0.20233E-03 . . 4.100 2.000 6.000 parsed_1mqy 1
122 1 . 247 0.29185E-03 . . 3.900 2.000 5.800 parsed_1mqy 1
123 1 . 249 0.53004E-03 . . 3.500 2.000 5.000 parsed_1mqy 1
124 1 . 250 0.48794E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
125 1 . 252 0.47596E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
126 1 . 253 0.58072E-03 . . 3.500 2.000 5.000 parsed_1mqy 1
127 1 . 255 0.38189E-03 . . 3.700 2.000 5.400 parsed_1mqy 1
128 1 . 256 0.48754E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
129 1 . 258 0.32908E-03 . . 3.800 2.000 5.600 parsed_1mqy 1
130 1 . 259 0.21093E-03 . . 4.100 2.000 6.000 parsed_1mqy 1
131 1 . 261 0.31766E-03 . . 3.800 2.000 5.600 parsed_1mqy 1
132 1 . 262 0.68227E-03 . . 3.400 2.000 4.800 parsed_1mqy 1
133 1 . 263 0.28734E-03 . . 3.900 2.000 5.800 parsed_1mqy 1
134 2 . 264 0.28258E-03 . . 3.900 2.000 5.800 parsed_1mqy 1
134 3 . 264 0.28258E-03 . . 3.900 2.000 5.800 parsed_1mqy 1
135 1 . 265 0.24935E-03 . . 4.000 2.000 6.000 parsed_1mqy 1
136 1 . 267 0.34619E-03 . . 3.800 2.000 5.600 parsed_1mqy 1
137 1 . 268 0.37372E-03 . . 3.700 2.000 5.400 parsed_1mqy 1
138 1 . 269 0.31229E-03 . . 3.800 2.000 5.600 parsed_1mqy 1
139 1 . 270 0.33206E-03 . . 3.800 2.000 5.600 parsed_1mqy 1
140 1 . 271 0.27746E-03 . . 3.900 2.000 5.800 parsed_1mqy 1
141 1 . 272 0.19031E-03 . . 4.200 2.000 6.000 parsed_1mqy 1
142 1 . 275 0.82741E-03 . . 3.300 2.000 4.600 parsed_1mqy 1
143 1 . 277 0.42551E-03 . . 3.600 1.900 5.300 parsed_1mqy 1
144 1 . 280 0.13045E-01 . . 2.100 1.600 2.600 parsed_1mqy 1
145 1 . 287 0.70519E-03 . . 3.300 1.900 4.700 parsed_1mqy 1
146 1 . 288 0.43591E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
147 1 . 289 0.47133E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
148 1 . 292 0.26382E-03 . . 3.900 2.000 5.800 parsed_1mqy 1
149 1 . 293 0.71600E-03 . . 3.300 1.900 4.700 parsed_1mqy 1
150 1 . 297 0.61855E-03 . . 3.400 1.900 4.900 parsed_1mqy 1
151 1 . 299 0.59189E-03 . . 3.400 1.900 4.900 parsed_1mqy 1
152 1 . 300 0.28010E-03 . . 3.900 2.000 5.800 parsed_1mqy 1
153 1 . 301 0.19883E-03 . . 4.100 2.000 6.000 parsed_1mqy 1
154 1 . 307 0.40473E-03 . . 3.700 2.000 5.400 parsed_1mqy 1
155 1 . 311 0.16092E-03 . . 4.300 2.000 6.000 parsed_1mqy 1
156 1 . 312 0.26630E-03 . . 3.900 2.000 5.800 parsed_1mqy 1
157 1 . 317 0.22933E-03 . . 4.000 2.000 6.000 parsed_1mqy 1
158 1 . 318 0.41937E-03 . . 3.700 2.000 5.400 parsed_1mqy 1
159 1 . 322 0.18596E-03 . . 4.200 2.000 6.000 parsed_1mqy 1
160 1 . 323 0.31025E-03 . . 3.800 2.000 5.600 parsed_1mqy 1
161 1 . 324 0.22933E-03 . . 4.000 2.000 6.000 parsed_1mqy 1
162 1 . 332 0.28001E-03 . . 3.900 2.000 5.800 parsed_1mqy 1
163 1 . 333 0.21169E-03 . . 4.100 2.000 6.000 parsed_1mqy 1
164 1 . 341 0.30488E-03 . . 3.900 2.000 5.800 parsed_1mqy 1
165 1 . 342 0.34782E-03 . . 3.800 2.000 5.600 parsed_1mqy 1
166 1 . 343 0.15896E-03 . . 4.300 2.000 6.000 parsed_1mqy 1
167 1 . 344 0.32422E-03 . . 3.800 2.000 5.600 parsed_1mqy 1
168 1 . 345 0.32474E-03 . . 3.800 2.000 5.600 parsed_1mqy 1
169 1 . 349 0.17063E-03 . . 4.200 2.000 6.000 parsed_1mqy 1
170 1 . 351 0.27116E-03 . . 3.900 2.000 5.800 parsed_1mqy 1
171 1 . 352 0.49579E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
172 1 . 1 0.18505E-02 . . 2.900 1.900 3.900 parsed_1mqy 1
173 1 . 2 0.12116E-02 . . 3.100 1.900 4.300 parsed_1mqy 1
174 1 . 7 0.24427E-02 . . 2.700 1.800 3.600 parsed_1mqy 1
175 1 . 9 0.94035E-02 . . 2.200 1.600 2.800 parsed_1mqy 1
176 1 . 25 0.61477E-02 . . 2.300 1.600 3.000 parsed_1mqy 1
177 1 . 39 0.59255E-02 . . 2.300 1.600 3.000 parsed_1mqy 1
178 1 . 43 0.36095E-02 . . 2.600 1.800 3.400 parsed_1mqy 1
179 1 . 49 0.15904E-02 . . 2.900 1.800 4.000 parsed_1mqy 1
180 2 . 50 0.74438E-03 . . 3.300 1.900 4.700 parsed_1mqy 1
180 3 . 50 0.74438E-03 . . 3.300 1.900 4.700 parsed_1mqy 1
181 1 . 52 0.38943E-02 . . 2.500 1.700 3.300 parsed_1mqy 1
182 1 . 68 0.97862E-02 . . 2.200 1.600 2.800 parsed_1mqy 1
183 1 . 69 0.88929E-03 . . 3.200 1.900 4.500 parsed_1mqy 1
184 1 . 72 0.31819E-02 . . 3.500 2.500 4.500 parsed_1mqy 1
185 1 . 73 0.22933E-02 . . 2.800 1.900 3.700 parsed_1mqy 1
186 1 . 75 0.46963E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
187 1 . 83 0.21302E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
188 1 . 84 0.56383E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
189 1 . 85 0.65214E-02 . . 2.300 1.600 3.000 parsed_1mqy 1
190 1 . 86 0.58138E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
191 1 . 98 0.12280E-02 . . 3.100 1.900 4.300 parsed_1mqy 1
192 1 . 101 0.17279E-02 . . 2.900 1.900 3.900 parsed_1mqy 1
193 1 . 103 0.94831E-03 . . 3.200 1.900 4.500 parsed_1mqy 1
194 1 . 104 0.16649E-02 . . 2.900 1.800 4.000 parsed_1mqy 1
195 1 . 105 0.32193E-02 . . 2.600 1.800 3.400 parsed_1mqy 1
196 1 . 106 0.69069E-03 . . 3.400 2.000 4.800 parsed_1mqy 1
197 1 . 108 0.30748E-02 . . 2.600 1.700 3.500 parsed_1mqy 1
198 1 . 121 0.43554E-02 . . 2.500 1.700 3.300 parsed_1mqy 1
199 1 . 125 0.12316E-02 . . 3.100 1.900 4.300 parsed_1mqy 1
200 1 . 128 0.49278E-02 . . 2.400 1.700 3.100 parsed_1mqy 1
201 1 . 136 0.71746E-02 . . 2.300 1.700 2.900 parsed_1mqy 1
202 1 . 138 0.94351E-03 . . 3.200 1.900 4.500 parsed_1mqy 1
203 1 . 139 0.20323E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
204 1 . 140 0.42189E-02 . . 2.500 1.700 3.300 parsed_1mqy 1
205 1 . 142 0.40045E-02 . . 2.500 1.700 3.300 parsed_1mqy 1
206 1 . 146 0.13187E-02 . . 3.000 1.900 4.100 parsed_1mqy 1
207 1 . 148 0.39829E-02 . . 2.500 1.700 3.300 parsed_1mqy 1
208 1 . 149 0.27832E-02 . . 2.700 1.800 3.600 parsed_1mqy 1
209 1 . 150 0.15720E-02 . . 2.900 1.800 4.000 parsed_1mqy 1
210 1 . 152 0.88450E-03 . . 3.200 1.900 4.500 parsed_1mqy 1
211 2 . 164 0.81519E-03 . . 3.300 2.000 4.600 parsed_1mqy 1
211 3 . 164 0.81519E-03 . . 3.300 2.000 4.600 parsed_1mqy 1
212 2 . 171 0.19081E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
212 3 . 171 0.19081E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
213 2 . 172 0.25600E-02 . . 2.700 1.800 3.600 parsed_1mqy 1
213 3 . 172 0.25600E-02 . . 2.700 1.800 3.600 parsed_1mqy 1
214 1 . 173 0.96996E-03 . . 3.200 1.900 4.500 parsed_1mqy 1
215 1 . 177 0.27845E-02 . . 2.700 1.800 3.600 parsed_1mqy 1
216 1 . 186 0.88376E-02 . . 2.200 1.600 2.800 parsed_1mqy 1
217 1 . 192 0.15552E-02 . . 2.900 1.800 4.000 parsed_1mqy 1
218 1 . 202 0.23391E-01 . . 1.900 1.500 2.300 parsed_1mqy 1
219 1 . 210 0.19987E-02 . . 2.800 1.800 3.800 parsed_1mqy 1
220 1 . 215 0.41511E-02 . . 2.500 1.700 3.300 parsed_1mqy 1
221 1 . 241 0.50607E-03 . . 3.500 1.900 5.100 parsed_1mqy 1
222 2 . 243 0.35226E-03 . . 3.800 2.000 5.600 parsed_1mqy 1
222 3 . 243 0.35226E-03 . . 3.800 2.000 5.600 parsed_1mqy 1
223 1 . 251 0.53596E-03 . . 3.500 2.000 5.000 parsed_1mqy 1
224 2 . 257 0.43822E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
224 3 . 257 0.43822E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
225 1 . 260 0.62126E-03 . . 3.400 1.900 4.900 parsed_1mqy 1
226 2 . 266 0.49404E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
226 3 . 266 0.49404E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
227 1 . 267 0.45967E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
228 1 . 273 0.67103E-03 . . 3.400 2.000 4.800 parsed_1mqy 1
229 1 . 274 0.60367E-03 . . 3.400 1.900 4.900 parsed_1mqy 1
230 1 . 276 0.53096E-03 . . 3.500 2.000 5.000 parsed_1mqy 1
231 1 . 278 0.38283E-03 . . 3.700 2.000 5.400 parsed_1mqy 1
232 1 . 279 0.76442E-03 . . 3.300 1.900 4.700 parsed_1mqy 1
233 1 . 290 0.62512E-03 . . 3.400 1.900 4.900 parsed_1mqy 1
234 1 . 291 0.63820E-03 . . 3.400 2.000 4.800 parsed_1mqy 1
235 1 . 295 0.46300E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
236 1 . 302 0.50853E-03 . . 3.500 1.900 5.100 parsed_1mqy 1
237 1 . 303 0.56395E-03 . . 3.500 2.000 5.000 parsed_1mqy 1
238 1 . 305 0.52397E-03 . . 3.500 2.000 5.000 parsed_1mqy 1
239 1 . 311 0.41259E-03 . . 3.700 2.000 5.400 parsed_1mqy 1
240 1 . 312 0.43453E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
241 1 . 313 0.70040E-03 . . 3.400 2.000 4.800 parsed_1mqy 1
242 1 . 314 0.41678E-03 . . 3.700 2.000 5.400 parsed_1mqy 1
243 1 . 319 0.33442E-03 . . 3.800 2.000 5.600 parsed_1mqy 1
244 1 . 320 0.49729E-03 . . 3.500 1.900 5.100 parsed_1mqy 1
245 2 . 321 0.50534E-03 . . 3.500 1.900 5.100 parsed_1mqy 1
245 3 . 321 0.50534E-03 . . 3.500 1.900 5.100 parsed_1mqy 1
246 1 . 330 0.31184E-03 . . 3.800 2.000 5.600 parsed_1mqy 1
247 1 . 331 0.34669E-03 . . 3.800 2.000 5.600 parsed_1mqy 1
248 2 . 334 0.70250E-03 . . 3.400 2.000 4.800 parsed_1mqy 1
248 3 . 334 0.70250E-03 . . 3.400 2.000 4.800 parsed_1mqy 1
249 1 . 338 0.44663E-03 . . 3.600 2.000 5.200 parsed_1mqy 1
250 1 . 347 0.40315E-03 . . 3.700 2.000 5.400 parsed_1mqy 1
251 1 . 351 0.51476E-03 . . 3.500 1.900 5.100 parsed_1mqy 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 5 1 7 1 7 parsed_1mqy 1
2 6 5 7 5 7 parsed_1mqy 1
3 12 9 7 9 7 parsed_1mqy 1
4 13 13 7 13 7 parsed_1mqy 1
5 14 17 7 17 7 parsed_1mqy 1
6 15 21 7 21 7 parsed_1mqy 1
7 16 25 7 25 7 parsed_1mqy 1
8 18 29 7 29 7 parsed_1mqy 1
9 19 33 7 33 7 parsed_1mqy 1
10 20 37 7 37 7 parsed_1mqy 1
11 21 41 7 41 7 parsed_1mqy 1
12 22 45 7 45 7 parsed_1mqy 1
13 23 49 7 49 7 parsed_1mqy 1
14 24 53 7 53 7 parsed_1mqy 1
15 26 57 7 57 7 parsed_1mqy 1
16 27 61 7 61 7 parsed_1mqy 1
17 28 65 7 65 7 parsed_1mqy 1
18 29 69 7 69 7 parsed_1mqy 1
19 29 73 5 73 5 parsed_1mqy 1
20 30 76 7 76 7 parsed_1mqy 1
21 31 80 7 80 7 parsed_1mqy 1
22 32 84 7 84 7 parsed_1mqy 1
23 33 88 7 88 7 parsed_1mqy 1
24 34 92 7 92 7 parsed_1mqy 1
25 35 96 7 96 7 parsed_1mqy 1
26 36 100 7 100 7 parsed_1mqy 1
27 38 104 7 104 7 parsed_1mqy 1
28 39 108 7 108 7 parsed_1mqy 1
29 41 112 7 112 7 parsed_1mqy 1
30 42 116 7 116 7 parsed_1mqy 1
31
;
loosen 'caue 14/30 ciolation
2.400 0.700 0.700 peak 42 weight 0.10000E+01 volume 0.53023E-02 ppm1 8.391 ppm2 0.913 CV 1
;
119 1 120 125 parsed_1mqy 1
32 44 122 7 122 7 parsed_1mqy 1
33 46 126 7 126 7 parsed_1mqy 1
34 47 130 7 130 7 parsed_1mqy 1
35 48 134 7 134 7 parsed_1mqy 1
36 51 138 7 138 7 parsed_1mqy 1
37 53 142 7 142 7 parsed_1mqy 1
38 54 146 7 146 7 parsed_1mqy 1
39 55 150 7 150 7 parsed_1mqy 1
40 56 154 7 154 7 parsed_1mqy 1
41 57 158 7 158 7 parsed_1mqy 1
42 58 162 7 162 7 parsed_1mqy 1
43 59 166 7 166 7 parsed_1mqy 1
44 59 170 5 170 5 parsed_1mqy 1
45 60 173 7 173 7 parsed_1mqy 1
46 60 177 5 177 5 parsed_1mqy 1
47 61 180 7 180 7 parsed_1mqy 1
48 62 184 7 184 7 parsed_1mqy 1
49 63 188 7 188 7 parsed_1mqy 1
50 64 192 7 192 7 parsed_1mqy 1
51 65 196 7 196 7 parsed_1mqy 1
52 66 200 7 200 7 parsed_1mqy 1
53 70 204 7 204 7 parsed_1mqy 1
54 71 208 7 208 7 parsed_1mqy 1
55 74 212 7 212 7 parsed_1mqy 1
56 75 216 7 216 7 parsed_1mqy 1
57 77 220 7 220 7 parsed_1mqy 1
58 78 224 7 224 7 parsed_1mqy 1
59 79 228 7 228 7 parsed_1mqy 1
60 80 232 7 232 7 parsed_1mqy 1
61 80 236 5 236 5 parsed_1mqy 1
62 81 239 7 239 7 parsed_1mqy 1
63 87 243 7 243 7 parsed_1mqy 1
64 88 247 7 247 7 parsed_1mqy 1
65 88 251 5 251 5 parsed_1mqy 1
66 88 254 5 254 5 parsed_1mqy 1
67 90 257 7 257 7 parsed_1mqy 1
68 96 261 7 261 7 parsed_1mqy 1
69 99 265 7 265 7 parsed_1mqy 1
70 102 269 7 269 7 parsed_1mqy 1
71 107 273 7 273 7 parsed_1mqy 1
72 109 277 7 277 7 parsed_1mqy 1
73 110 281 7 281 7 parsed_1mqy 1
74 113 285 7 285 7 parsed_1mqy 1
75 119 289 7 289 7 parsed_1mqy 1
76 122 293 7 293 7 parsed_1mqy 1
77 123 297 7 297 7 parsed_1mqy 1
78 124 301 7 301 7 parsed_1mqy 1
79 129 305 7 305 7 parsed_1mqy 1
80 131 309 7 309 7 parsed_1mqy 1
81 132 313 7 313 7 parsed_1mqy 1
82 133 317 7 317 7 parsed_1mqy 1
83 134 321 7 321 7 parsed_1mqy 1
84 137 325 7 325 7 parsed_1mqy 1
85 146 329 7 329 7 parsed_1mqy 1
86 148 333 7 333 7 parsed_1mqy 1
87 149 337 7 337 7 parsed_1mqy 1
88 151 341 7 341 7 parsed_1mqy 1
89 156 345 7 345 7 parsed_1mqy 1
90 156 349 5 349 5 parsed_1mqy 1
91 162 352 7 352 7 parsed_1mqy 1
92 165 356 7 356 7 parsed_1mqy 1
93 165 360 5 360 5 parsed_1mqy 1
94 166 363 7 363 7 parsed_1mqy 1
95 166 367 5 367 5 parsed_1mqy 1
96 167 370 7 370 7 parsed_1mqy 1
97 167 374 5 374 5 parsed_1mqy 1
98 168 377 7 377 7 parsed_1mqy 1
99 173 381 7 381 7 parsed_1mqy 1
100 173 385 5 385 5 parsed_1mqy 1
101 174 388 7 388 7 parsed_1mqy 1
102 175 392 7 392 7 parsed_1mqy 1
103 178 396 7 396 7 parsed_1mqy 1
104 181 400 7 400 7 parsed_1mqy 1
105 182 404 7 404 7 parsed_1mqy 1
106 187 408 7 408 7 parsed_1mqy 1
107 188 412 7 412 7 parsed_1mqy 1
108 190 416 7 416 7 parsed_1mqy 1
109 191 420 7 420 7 parsed_1mqy 1
110 193 424 7 424 7 parsed_1mqy 1
111 194 428 7 428 7 parsed_1mqy 1
112 196 432 7 432 7 parsed_1mqy 1
113 197 436 7 436 7 parsed_1mqy 1
114 198 440 7 440 7 parsed_1mqy 1
115 199 444 7 444 7 parsed_1mqy 1
116 200 448 7 448 7 parsed_1mqy 1
117 201 452 7 452 7 parsed_1mqy 1
118 207 456 7 456 7 parsed_1mqy 1
119 209 460 7 460 7 parsed_1mqy 1
120 212 464 7 464 7 parsed_1mqy 1
121 212 468 5 468 5 parsed_1mqy 1
122 215 471 7 471 7 parsed_1mqy 1
123 216 475 7 475 7 parsed_1mqy 1
124 219 479 7 479 7 parsed_1mqy 1
125 220 483 7 483 7 parsed_1mqy 1
126 220 487 5 487 5 parsed_1mqy 1
127 220 490 5 490 5 parsed_1mqy 1
128 223 493 7 493 7 parsed_1mqy 1
129 225 497 7 497 7 parsed_1mqy 1
130 230 501 7 501 7 parsed_1mqy 1
131 232 505 7 505 7 parsed_1mqy 1
132 232 509 5 509 5 parsed_1mqy 1
133 233 512 7 512 7 parsed_1mqy 1
134 239 516 7 516 7 parsed_1mqy 1
135 239 520 5 520 5 parsed_1mqy 1
136 239 523 5 523 5 parsed_1mqy 1
137 240 526 7 526 7 parsed_1mqy 1
138 242 530 7 530 7 parsed_1mqy 1
139
;
loosen 'cause 4/30 violation
3.800 1.800 1.800 peak 242 weight 0.10000E+01 volume 0.31503E-03 ppm1 7.271 ppm2 2.230 CV 1
;
533 1 534 125 parsed_1mqy 1
140 246 536 7 536 7 parsed_1mqy 1
141 247 540 7 540 7 parsed_1mqy 1
142 249 544 7 544 7 parsed_1mqy 1
143 250 548 7 548 7 parsed_1mqy 1
144 252 552 7 552 7 parsed_1mqy 1
145 253 556 7 556 7 parsed_1mqy 1
146 255 560 7 560 7 parsed_1mqy 1
147 256 564 7 564 7 parsed_1mqy 1
148 258 568 7 568 7 parsed_1mqy 1
149 259 572 7 572 7 parsed_1mqy 1
150 261 576 7 576 7 parsed_1mqy 1
151 262 580 7 580 7 parsed_1mqy 1
152 263 584 7 584 7 parsed_1mqy 1
153 264 588 7 588 7 parsed_1mqy 1
154 264 592 5 592 5 parsed_1mqy 1
155 265 595 7 595 7 parsed_1mqy 1
156 267 599 7 599 7 parsed_1mqy 1
157 268 603 7 603 7 parsed_1mqy 1
158 269 607 7 607 7 parsed_1mqy 1
159 270 611 7 611 7 parsed_1mqy 1
160 271 615 7 615 7 parsed_1mqy 1
161 272 619 7 619 7 parsed_1mqy 1
162 275 623 7 623 7 parsed_1mqy 1
163 277 627 7 627 7 parsed_1mqy 1
164 280 631 7 631 7 parsed_1mqy 1
165 287 635 7 635 7 parsed_1mqy 1
166 288 639 7 639 7 parsed_1mqy 1
167 289 643 7 643 7 parsed_1mqy 1
168 292 647 7 647 7 parsed_1mqy 1
169 293 651 7 651 7 parsed_1mqy 1
170 297 655 7 655 7 parsed_1mqy 1
171 299 659 7 659 7 parsed_1mqy 1
172 300 663 7 663 7 parsed_1mqy 1
173 301 667 7 667 7 parsed_1mqy 1
174 307 671 7 671 7 parsed_1mqy 1
175 311 675 7 675 7 parsed_1mqy 1
176 312 679 7 679 7 parsed_1mqy 1
177 317 683 7 683 7 parsed_1mqy 1
178 318 687 7 687 7 parsed_1mqy 1
179 322 691 7 691 7 parsed_1mqy 1
180 323 695 7 695 7 parsed_1mqy 1
181 324 699 7 699 7 parsed_1mqy 1
182 332 703 7 703 7 parsed_1mqy 1
183 333 707 7 707 7 parsed_1mqy 1
184 341 711 7 711 7 parsed_1mqy 1
185 342 715 7 715 7 parsed_1mqy 1
186 343 719 7 719 7 parsed_1mqy 1
187 344 723 7 723 7 parsed_1mqy 1
188 345 727 7 727 7 parsed_1mqy 1
189 349 731 7 731 7 parsed_1mqy 1
190 351 735 7 735 7 parsed_1mqy 1
191 352 739 7 739 7 parsed_1mqy 1
192 1 743 7 743 7 parsed_1mqy 1
193 2 747 7 747 7 parsed_1mqy 1
194 7 751 7 751 7 parsed_1mqy 1
195 9 755 7 755 7 parsed_1mqy 1
196 25 759 7 759 7 parsed_1mqy 1
197 39 763 7 763 7 parsed_1mqy 1
198 43 767 7 767 7 parsed_1mqy 1
199 49 771 7 771 7 parsed_1mqy 1
200 50 775 7 775 7 parsed_1mqy 1
201 50 779 5 779 5 parsed_1mqy 1
202 52 782 7 782 7 parsed_1mqy 1
203 68 786 7 786 7 parsed_1mqy 1
204 69 790 7 790 7 parsed_1mqy 1
205 72 798 7 798 7 parsed_1mqy 1
206
;
ASSI { 72}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HG ))
2.600 0.800 0.800 peak 72 weight 0.10000E+01 volume 0.31819E-02 ppm1 8.076 ppm2 1.310 CV 1
;
794 1 797 125 parsed_1mqy 1
207 73 802 7 802 7 parsed_1mqy 1
208 75 806 7 806 7 parsed_1mqy 1
209 83 810 7 810 7 parsed_1mqy 1
210 84 814 7 814 7 parsed_1mqy 1
211 85 818 7 818 7 parsed_1mqy 1
212 86 822 7 822 7 parsed_1mqy 1
213 98 826 7 826 7 parsed_1mqy 1
214 101 830 7 830 7 parsed_1mqy 1
215 103 834 7 834 7 parsed_1mqy 1
216 104 838 7 838 7 parsed_1mqy 1
217 105 842 7 842 7 parsed_1mqy 1
218 106 846 7 846 7 parsed_1mqy 1
219 108 850 7 850 7 parsed_1mqy 1
220 121 854 7 854 7 parsed_1mqy 1
221 125 858 7 858 7 parsed_1mqy 1
222 128 862 7 862 7 parsed_1mqy 1
223 136 866 7 866 7 parsed_1mqy 1
224 138 870 7 870 7 parsed_1mqy 1
225 139 874 7 874 7 parsed_1mqy 1
226 140 878 7 878 7 parsed_1mqy 1
227 142 882 7 882 7 parsed_1mqy 1
228 146 886 7 886 7 parsed_1mqy 1
229 148 890 7 890 7 parsed_1mqy 1
230 149 894 7 894 7 parsed_1mqy 1
231 150 898 7 898 7 parsed_1mqy 1
232 152 902 7 902 7 parsed_1mqy 1
233 164 906 7 906 7 parsed_1mqy 1
234 164 910 5 910 5 parsed_1mqy 1
235 171 913 7 913 7 parsed_1mqy 1
236 171 917 5 917 5 parsed_1mqy 1
237 172 920 7 920 7 parsed_1mqy 1
238 172 924 5 924 5 parsed_1mqy 1
239 173 927 7 927 7 parsed_1mqy 1
240 177 931 7 931 7 parsed_1mqy 1
241 186 935 7 935 7 parsed_1mqy 1
242 192 939 7 939 7 parsed_1mqy 1
243 202 943 7 943 7 parsed_1mqy 1
244 210 947 7 947 7 parsed_1mqy 1
245 215 951 7 951 7 parsed_1mqy 1
246 241 955 7 955 7 parsed_1mqy 1
247 243 959 7 959 7 parsed_1mqy 1
248 243 963 5 963 5 parsed_1mqy 1
249 251 966 7 966 7 parsed_1mqy 1
250 257 970 7 970 7 parsed_1mqy 1
251 257 974 5 974 5 parsed_1mqy 1
252 260 977 7 977 7 parsed_1mqy 1
253 266 981 7 981 7 parsed_1mqy 1
254 266 985 5 985 5 parsed_1mqy 1
255 267 988 7 988 7 parsed_1mqy 1
256 273 992 7 992 7 parsed_1mqy 1
257 274 996 7 996 7 parsed_1mqy 1
258 276 1000 7 1000 7 parsed_1mqy 1
259 278 1004 7 1004 7 parsed_1mqy 1
260 279 1008 7 1008 7 parsed_1mqy 1
261 290 1012 7 1012 7 parsed_1mqy 1
262 291 1016 7 1016 7 parsed_1mqy 1
263 295 1020 7 1020 7 parsed_1mqy 1
264 302 1024 7 1024 7 parsed_1mqy 1
265 303 1028 7 1028 7 parsed_1mqy 1
266 305 1032 7 1032 7 parsed_1mqy 1
267 311 1036 7 1036 7 parsed_1mqy 1
268 312 1040 7 1040 7 parsed_1mqy 1
269 313 1044 7 1044 7 parsed_1mqy 1
270 314 1048 7 1048 7 parsed_1mqy 1
271 319 1052 7 1052 7 parsed_1mqy 1
272 320 1056 7 1056 7 parsed_1mqy 1
273 321 1060 7 1060 7 parsed_1mqy 1
274 321 1064 5 1064 5 parsed_1mqy 1
275 330 1067 7 1067 7 parsed_1mqy 1
276 331 1071 7 1071 7 parsed_1mqy 1
277 334 1075 7 1075 7 parsed_1mqy 1
278 334 1079 5 1079 5 parsed_1mqy 1
279 338 1082 7 1082 7 parsed_1mqy 1
280 347 1086 7 1086 7 parsed_1mqy 1
281 351 1090 7 1090 7 parsed_1mqy 1
stop_
save_
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