NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
623709 |
6beu   |
30363 | cing | 2-parsed | STAR | entry | full | 205 |
data_6beu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6beu
_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_6beu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6beu
_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 6beu "Master copy" parsed_6beu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6beu
_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 6beu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6beu 1
1 6beu.mr . . XPLOR/CNS 2 distance NOE simple 205 parsed_6beu 1
1 6beu.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6beu 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_6beu
_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 DE NOVO PROTEIN 25-OCT-17 6BEU
*TITLE SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN14_SS
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR);
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 4 ORGANISM_TAXID: 9606
*KEYWDS MACROCYCLE, DE NOVO, DE NOVO PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR M.D.SHORTRIDGE,P.HOSSEINZADEH,F.PARDO-AVILA,G.VARANI,D.BAKER
*REVDAT 1 27-DEC-17 6BEU 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6beu
_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_6beu 1
2 1 . . . parsed_6beu 1
3 1 . . . parsed_6beu 1
4 1 . . . parsed_6beu 1
5 1 . . . parsed_6beu 1
6 1 . . . parsed_6beu 1
7 1 . . . parsed_6beu 1
8 1 . . . parsed_6beu 1
9 1 . . . parsed_6beu 1
10 1 . . . parsed_6beu 1
11 1 . . . parsed_6beu 1
12 1 . . . parsed_6beu 1
13 1 . . . parsed_6beu 1
14 1 . . . parsed_6beu 1
15 1 . . . parsed_6beu 1
16 1 . . . parsed_6beu 1
17 1 . . . parsed_6beu 1
18 1 . . . parsed_6beu 1
19 1 . . . parsed_6beu 1
20 1 . . . parsed_6beu 1
21 1 . . . parsed_6beu 1
22 1 . . . parsed_6beu 1
23 1 . . . parsed_6beu 1
24 1 . . . parsed_6beu 1
25 1 . . . parsed_6beu 1
26 1 . . . parsed_6beu 1
27 1 . . . parsed_6beu 1
28 1 . . . parsed_6beu 1
29 1 . . . parsed_6beu 1
30 1 . . . parsed_6beu 1
31 1 . . . parsed_6beu 1
32 1 . . . parsed_6beu 1
33 1 . . . parsed_6beu 1
34 1 . . . parsed_6beu 1
35 1 . . . parsed_6beu 1
36 1 . . . parsed_6beu 1
37 1 . . . parsed_6beu 1
38 1 . . . parsed_6beu 1
39 1 . . . parsed_6beu 1
40 1 . . . parsed_6beu 1
41 1 . . . parsed_6beu 1
42 1 . . . parsed_6beu 1
43 1 . . . parsed_6beu 1
44 1 . . . parsed_6beu 1
45 1 . . . parsed_6beu 1
46 1 . . . parsed_6beu 1
47 1 . . . parsed_6beu 1
48 1 . . . parsed_6beu 1
49 1 . . . parsed_6beu 1
50 1 . . . parsed_6beu 1
51 1 . . . parsed_6beu 1
52 1 . . . parsed_6beu 1
53 1 . . . parsed_6beu 1
54 1 . . . parsed_6beu 1
55 1 . . . parsed_6beu 1
56 1 . . . parsed_6beu 1
57 1 . . . parsed_6beu 1
58 1 . . . parsed_6beu 1
59 1 . . . parsed_6beu 1
60 1 . . . parsed_6beu 1
61 1 . . . parsed_6beu 1
62 1 . . . parsed_6beu 1
63 1 . . . parsed_6beu 1
64 1 . . . parsed_6beu 1
65 1 . . . parsed_6beu 1
66 1 . . . parsed_6beu 1
67 1 . . . parsed_6beu 1
68 1 . . . parsed_6beu 1
69 1 . . . parsed_6beu 1
70 1 . . . parsed_6beu 1
71 1 . . . parsed_6beu 1
72 1 . . . parsed_6beu 1
73 1 . . . parsed_6beu 1
74 1 . . . parsed_6beu 1
75 1 . . . parsed_6beu 1
76 1 . . . parsed_6beu 1
77 1 . . . parsed_6beu 1
78 1 . . . parsed_6beu 1
79 1 . . . parsed_6beu 1
80 1 . . . parsed_6beu 1
81 1 . . . parsed_6beu 1
82 1 . . . parsed_6beu 1
83 1 . . . parsed_6beu 1
84 1 . . . parsed_6beu 1
85 1 . . . parsed_6beu 1
86 1 . . . parsed_6beu 1
87 1 . . . parsed_6beu 1
88 1 . . . parsed_6beu 1
89 1 . . . parsed_6beu 1
90 1 . . . parsed_6beu 1
91 1 . . . parsed_6beu 1
92 1 . . . parsed_6beu 1
93 1 . . . parsed_6beu 1
94 1 . . . parsed_6beu 1
95 1 . . . parsed_6beu 1
96 1 . . . parsed_6beu 1
97 1 . . . parsed_6beu 1
98 1 . . . parsed_6beu 1
99 1 . . . parsed_6beu 1
100 1 . . . parsed_6beu 1
101 1 . . . parsed_6beu 1
102 1 . . . parsed_6beu 1
103 1 . . . parsed_6beu 1
104 1 . . . parsed_6beu 1
105 1 . . . parsed_6beu 1
106 1 . . . parsed_6beu 1
107 1 . . . parsed_6beu 1
108 1 . . . parsed_6beu 1
109 1 . . . parsed_6beu 1
110 1 . . . parsed_6beu 1
111 1 . . . parsed_6beu 1
112 1 . . . parsed_6beu 1
113 1 . . . parsed_6beu 1
114 1 . . . parsed_6beu 1
115 1 . . . parsed_6beu 1
116 1 . . . parsed_6beu 1
117 1 . . . parsed_6beu 1
118 1 . . . parsed_6beu 1
119 1 . . . parsed_6beu 1
120 1 . . . parsed_6beu 1
121 1 . . . parsed_6beu 1
122 1 . . . parsed_6beu 1
123 1 . . . parsed_6beu 1
124 1 . . . parsed_6beu 1
125 1 . . . parsed_6beu 1
126 1 . . . parsed_6beu 1
127 1 . . . parsed_6beu 1
128 1 . . . parsed_6beu 1
129 1 . . . parsed_6beu 1
130 1 . . . parsed_6beu 1
131 1 . . . parsed_6beu 1
132 1 . . . parsed_6beu 1
133 1 . . . parsed_6beu 1
134 1 . . . parsed_6beu 1
135 1 . . . parsed_6beu 1
136 1 . . . parsed_6beu 1
137 1 . . . parsed_6beu 1
138 1 . . . parsed_6beu 1
139 1 . . . parsed_6beu 1
140 1 . . . parsed_6beu 1
141 1 . . . parsed_6beu 1
142 1 . . . parsed_6beu 1
143 1 . . . parsed_6beu 1
144 1 . . . parsed_6beu 1
145 1 . . . parsed_6beu 1
146 1 . . . parsed_6beu 1
147 1 . . . parsed_6beu 1
148 1 . . . parsed_6beu 1
149 1 . . . parsed_6beu 1
150 1 . . . parsed_6beu 1
151 1 . . . parsed_6beu 1
152 1 . . . parsed_6beu 1
153 1 . . . parsed_6beu 1
154 1 . . . parsed_6beu 1
155 1 . . . parsed_6beu 1
156 1 . . . parsed_6beu 1
157 1 . . . parsed_6beu 1
158 1 . . . parsed_6beu 1
159 1 . . . parsed_6beu 1
160 1 . . . parsed_6beu 1
161 1 . . . parsed_6beu 1
162 1 . . . parsed_6beu 1
163 1 . . . parsed_6beu 1
164 1 . . . parsed_6beu 1
165 1 . . . parsed_6beu 1
166 1 . . . parsed_6beu 1
167 1 . . . parsed_6beu 1
168 1 . . . parsed_6beu 1
169 1 . . . parsed_6beu 1
170 1 . . . parsed_6beu 1
171 1 . . . parsed_6beu 1
172 1 . . . parsed_6beu 1
173 1 . . . parsed_6beu 1
174 1 . . . parsed_6beu 1
175 1 . . . parsed_6beu 1
176 1 . . . parsed_6beu 1
177 1 . . . parsed_6beu 1
178 1 . . . parsed_6beu 1
179 1 . . . parsed_6beu 1
180 1 . . . parsed_6beu 1
181 1 . . . parsed_6beu 1
182 1 . . . parsed_6beu 1
183 1 . . . parsed_6beu 1
184 1 . . . parsed_6beu 1
185 1 . . . parsed_6beu 1
186 1 . . . parsed_6beu 1
187 1 . . . parsed_6beu 1
188 1 . . . parsed_6beu 1
189 1 . . . parsed_6beu 1
190 1 . . . parsed_6beu 1
191 1 . . . parsed_6beu 1
192 1 . . . parsed_6beu 1
193 1 . . . parsed_6beu 1
194 1 . . . parsed_6beu 1
195 1 . . . parsed_6beu 1
196 1 . . . parsed_6beu 1
197 1 . . . parsed_6beu 1
198 1 . . . parsed_6beu 1
199 1 . . . parsed_6beu 1
200 1 . . . parsed_6beu 1
201 1 . . . parsed_6beu 1
202 1 . . . parsed_6beu 1
203 1 . . . parsed_6beu 1
204 1 . . . parsed_6beu 1
205 1 . . . parsed_6beu 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 . HA parsed_6beu 1
1 1 2 . . . . . . . . . 1 . HN parsed_6beu 1
2 1 1 . . . . . . . . . 1 . HA parsed_6beu 1
2 1 2 . . . . . . . . . 2 . HN parsed_6beu 1
3 1 1 . . . . . . . . . 2 . HA parsed_6beu 1
3 1 2 . . . . . . . . . 2 . HN parsed_6beu 1
4 1 1 . . . . . . . . . 2 . HA parsed_6beu 1
4 1 2 . . . . . . . . . 3 . HN parsed_6beu 1
5 1 1 . . . . . . . . . 3 . HA parsed_6beu 1
5 1 2 . . . . . . . . . 3 . HN parsed_6beu 1
6 1 1 . . . . . . . . . 4 . HA parsed_6beu 1
6 1 2 . . . . . . . . . 5 . HN parsed_6beu 1
7 1 1 . . . . . . . . . 5 . HA parsed_6beu 1
7 1 2 . . . . . . . . . 5 . HN parsed_6beu 1
8 1 1 . . . . . . . . . 5 . HA parsed_6beu 1
8 1 2 . . . . . . . . . 6 . HN parsed_6beu 1
9 1 1 . . . . . . . . . 6 . HA parsed_6beu 1
9 1 2 . . . . . . . . . 7 . HN parsed_6beu 1
10 1 1 . . . . . . . . . 6 . HA parsed_6beu 1
10 1 2 . . . . . . . . . 6 . HN parsed_6beu 1
11 1 1 . . . . . . . . . 7 . HA parsed_6beu 1
11 1 2 . . . . . . . . . 8 . HN parsed_6beu 1
12 1 1 . . . . . . . . . 7 . HA parsed_6beu 1
12 1 2 . . . . . . . . . 7 . HN parsed_6beu 1
13 1 1 . . . . . . . . . 7 . HA parsed_6beu 1
13 1 2 . . . . . . . . . 13 . HN parsed_6beu 1
14 1 1 . . . . . . . . . 8 . HA parsed_6beu 1
14 1 2 . . . . . . . . . 8 . HN parsed_6beu 1
15 1 1 . . . . . . . . . 9 . HA parsed_6beu 1
15 1 2 . . . . . . . . . 10 . HN parsed_6beu 1
16 1 1 . . . . . . . . . 10 . HA parsed_6beu 1
16 1 2 . . . . . . . . . 10 . HN parsed_6beu 1
17 1 1 . . . . . . . . . 10 . HA parsed_6beu 1
17 1 2 . . . . . . . . . 11 . HN parsed_6beu 1
18 1 1 . . . . . . . . . 11 . HA parsed_6beu 1
18 1 2 . . . . . . . . . 12 . HN parsed_6beu 1
19 1 1 . . . . . . . . . 11 . HA parsed_6beu 1
19 1 2 . . . . . . . . . 11 . HN parsed_6beu 1
20 1 1 . . . . . . . . . 12 . HA parsed_6beu 1
20 1 2 . . . . . . . . . 13 . HN parsed_6beu 1
21 1 1 . . . . . . . . . 12 . HA parsed_6beu 1
21 1 2 . . . . . . . . . 12 . HN parsed_6beu 1
22 1 1 . . . . . . . . . 13 . HA parsed_6beu 1
22 1 2 . . . . . . . . . 13 . HN parsed_6beu 1
23 1 1 . . . . . . . . . 14 . HA parsed_6beu 1
23 1 2 . . . . . . . . . 1 . HN parsed_6beu 1
24 1 1 . . . . . . . . . 3 . HN parsed_6beu 1
24 1 2 . . . . . . . . . 2 . HN parsed_6beu 1
25 1 1 . . . . . . . . . 8 . HN parsed_6beu 1
25 1 2 . . . . . . . . . 13 . HN parsed_6beu 1
26 1 1 . . . . . . . . . 7 . HN parsed_6beu 1
26 1 2 . . . . . . . . . 8 . HN parsed_6beu 1
27 1 1 . . . . . . . . . 11 . HN parsed_6beu 1
27 1 2 . . . . . . . . . 8 . HN parsed_6beu 1
28 1 1 . . . . . . . . . 11 . HN parsed_6beu 1
28 1 2 . . . . . . . . . 10 . HN parsed_6beu 1
29 1 1 . . . . . . . . . 11 . HN parsed_6beu 1
29 1 2 . . . . . . . . . 12 . HN parsed_6beu 1
30 1 1 . . . . . . . . . 5 . HN parsed_6beu 1
30 1 2 . . . . . . . . . 6 . HN parsed_6beu 1
31 1 1 . . . . . . . . . 7 . HN parsed_6beu 1
31 1 2 . . . . . . . . . 13 . HN parsed_6beu 1
32 1 1 . . . . . . . . . 12 . HN parsed_6beu 1
32 1 2 . . . . . . . . . 13 . HN parsed_6beu 1
33 1 1 . . . . . . . . . 7 . HA parsed_6beu 1
33 1 2 . . . . . . . . . 12 . HA parsed_6beu 1
34 1 1 . . . . . . . . . 1 . HB2 parsed_6beu 1
34 1 2 . . . . . . . . . 1 . HN parsed_6beu 1
35 1 1 . . . . . . . . . 1 . HB1 parsed_6beu 1
35 1 2 . . . . . . . . . 1 . HN parsed_6beu 1
36 1 1 . . . . . . . . . 1 . HB2 parsed_6beu 1
36 1 2 . . . . . . . . . 2 . HN parsed_6beu 1
37 1 1 . . . . . . . . . 1 . HB1 parsed_6beu 1
37 1 2 . . . . . . . . . 2 . HN parsed_6beu 1
38 1 1 . . . . . . . . . 2 . HB2 parsed_6beu 1
38 1 2 . . . . . . . . . 2 . HN parsed_6beu 1
39 1 1 . . . . . . . . . 2 . HB1 parsed_6beu 1
39 1 2 . . . . . . . . . 2 . HD21 parsed_6beu 1
40 1 1 . . . . . . . . . 2 . HB1 parsed_6beu 1
40 1 2 . . . . . . . . . 2 . HN parsed_6beu 1
41 1 1 . . . . . . . . . 2 . HB1 parsed_6beu 1
41 1 2 . . . . . . . . . 3 . HN parsed_6beu 1
42 1 1 . . . . . . . . . 3 . HB parsed_6beu 1
42 1 2 . . . . . . . . . 3 . HN parsed_6beu 1
43 1 1 . . . . . . . . . 3 . HG2# parsed_6beu 1
43 1 2 . . . . . . . . . 3 . HN parsed_6beu 1
44 1 1 . . . . . . . . . 3 . HG2# parsed_6beu 1
44 1 2 . . . . . . . . . 4 . HD2 parsed_6beu 1
45 1 1 . . . . . . . . . 3 . HG2# parsed_6beu 1
45 1 2 . . . . . . . . . 4 . HD1 parsed_6beu 1
46 1 1 . . . . . . . . . 3 . HG2# parsed_6beu 1
46 1 2 . . . . . . . . . 13 . HB parsed_6beu 1
47 1 1 . . . . . . . . . 3 . HG1# parsed_6beu 1
47 1 2 . . . . . . . . . 14 . HD2 parsed_6beu 1
48 1 1 . . . . . . . . . 3 . HG1# parsed_6beu 1
48 1 2 . . . . . . . . . 14 . HD1 parsed_6beu 1
49 1 1 . . . . . . . . . 3 . HG1# parsed_6beu 1
49 1 2 . . . . . . . . . 3 . HN parsed_6beu 1
50 1 1 . . . . . . . . . 3 . HG1# parsed_6beu 1
50 1 2 . . . . . . . . . 4 . HD2 parsed_6beu 1
51 1 1 . . . . . . . . . 3 . HG1# parsed_6beu 1
51 1 2 . . . . . . . . . 4 . HD1 parsed_6beu 1
52 1 1 . . . . . . . . . 3 . HG1# parsed_6beu 1
52 1 2 . . . . . . . . . 13 . HB parsed_6beu 1
53 1 1 . . . . . . . . . 4 . HA parsed_6beu 1
53 1 2 . . . . . . . . . 4 . HB1 parsed_6beu 1
54 1 1 . . . . . . . . . 4 . HA parsed_6beu 1
54 1 2 . . . . . . . . . 4 . HB2 parsed_6beu 1
55 1 1 . . . . . . . . . 4 . HA parsed_6beu 1
55 1 2 . . . . . . . . . 4 . HG2 parsed_6beu 1
56 1 1 . . . . . . . . . 4 . HA parsed_6beu 1
56 1 2 . . . . . . . . . 4 . HG1 parsed_6beu 1
57 1 1 . . . . . . . . . 4 . HB2 parsed_6beu 1
57 1 2 . . . . . . . . . 5 . HB# parsed_6beu 1
58 1 1 . . . . . . . . . 4 . HB2 parsed_6beu 1
58 1 2 . . . . . . . . . 5 . HN parsed_6beu 1
59 1 1 . . . . . . . . . 4 . HB1 parsed_6beu 1
59 1 2 . . . . . . . . . 5 . HB# parsed_6beu 1
60 1 1 . . . . . . . . . 4 . HB1 parsed_6beu 1
60 1 2 . . . . . . . . . 5 . HN parsed_6beu 1
61 1 1 . . . . . . . . . 4 . HD2 parsed_6beu 1
61 1 2 . . . . . . . . . 3 . HA parsed_6beu 1
62 1 1 . . . . . . . . . 4 . HD2 parsed_6beu 1
62 1 2 . . . . . . . . . 4 . HB2 parsed_6beu 1
63 1 1 . . . . . . . . . 4 . HD2 parsed_6beu 1
63 1 2 . . . . . . . . . 4 . HB1 parsed_6beu 1
64 1 1 . . . . . . . . . 4 . HD2 parsed_6beu 1
64 1 2 . . . . . . . . . 4 . HG2 parsed_6beu 1
65 1 1 . . . . . . . . . 4 . HD2 parsed_6beu 1
65 1 2 . . . . . . . . . 4 . HG1 parsed_6beu 1
66 1 1 . . . . . . . . . 4 . HD1 parsed_6beu 1
66 1 2 . . . . . . . . . 3 . HA parsed_6beu 1
67 1 1 . . . . . . . . . 4 . HD1 parsed_6beu 1
67 1 2 . . . . . . . . . 4 . HB2 parsed_6beu 1
68 1 1 . . . . . . . . . 4 . HD1 parsed_6beu 1
68 1 2 . . . . . . . . . 4 . HB1 parsed_6beu 1
69 1 1 . . . . . . . . . 4 . HD1 parsed_6beu 1
69 1 2 . . . . . . . . . 4 . HG2 parsed_6beu 1
70 1 1 . . . . . . . . . 4 . HD1 parsed_6beu 1
70 1 2 . . . . . . . . . 4 . HG1 parsed_6beu 1
71 1 1 . . . . . . . . . 5 . HB# parsed_6beu 1
71 1 2 . . . . . . . . . 5 . HN parsed_6beu 1
72 1 1 . . . . . . . . . 6 . HB parsed_6beu 1
72 1 2 . . . . . . . . . 7 . HN parsed_6beu 1
73 1 1 . . . . . . . . . 6 . HA parsed_6beu 1
73 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1
74 1 1 . . . . . . . . . 6 . HA parsed_6beu 1
74 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1
75 1 1 . . . . . . . . . 6 . HB parsed_6beu 1
75 1 2 . . . . . . . . . 6 . HA parsed_6beu 1
76 1 1 . . . . . . . . . 6 . HB parsed_6beu 1
76 1 2 . . . . . . . . . 6 . HN parsed_6beu 1
77 1 1 . . . . . . . . . 6 . HB parsed_6beu 1
77 1 2 . . . . . . . . . 7 . HB# parsed_6beu 1
78 1 1 . . . . . . . . . 6 . HB parsed_6beu 1
78 1 2 . . . . . . . . . 7 . HD# parsed_6beu 1
79 1 1 . . . . . . . . . 6 . HB parsed_6beu 1
79 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1
80 1 1 . . . . . . . . . 6 . HB parsed_6beu 1
80 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1
81 1 1 . . . . . . . . . 6 . HB parsed_6beu 1
81 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1
82 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1
82 1 2 . . . . . . . . . 4 . HA parsed_6beu 1
83 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1
83 1 2 . . . . . . . . . 5 . HB# parsed_6beu 1
84 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1
84 1 2 . . . . . . . . . 5 . HN parsed_6beu 1
85 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1
85 1 2 . . . . . . . . . 6 . HA parsed_6beu 1
86 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1
86 1 2 . . . . . . . . . 6 . HN parsed_6beu 1
87 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1
87 1 2 . . . . . . . . . 7 . HN parsed_6beu 1
88 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1
88 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1
89 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1
89 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1
90 1 1 . . . . . . . . . 6 . HG2# parsed_6beu 1
90 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1
91 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1
91 1 2 . . . . . . . . . 4 . HA parsed_6beu 1
92 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1
92 1 2 . . . . . . . . . 5 . HB# parsed_6beu 1
93 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1
93 1 2 . . . . . . . . . 5 . HN parsed_6beu 1
94 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1
94 1 2 . . . . . . . . . 6 . HN parsed_6beu 1
95 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1
95 1 2 . . . . . . . . . 7 . HB# parsed_6beu 1
96 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1
96 1 2 . . . . . . . . . 7 . HD# parsed_6beu 1
97 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1
97 1 2 . . . . . . . . . 7 . HE# parsed_6beu 1
98 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1
98 1 2 . . . . . . . . . 7 . HN parsed_6beu 1
99 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1
99 1 2 . . . . . . . . . 8 . HN parsed_6beu 1
100 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1
100 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1
101 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1
101 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1
102 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1
102 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1
103 1 1 . . . . . . . . . 6 . HG1# parsed_6beu 1
103 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1
104 1 1 . . . . . . . . . 6 . HN parsed_6beu 1
104 1 2 . . . . . . . . . 7 . HD# parsed_6beu 1
105 1 1 . . . . . . . . . 7 . HE# parsed_6beu 1
105 1 2 . . . . . . . . . 7 . HD# parsed_6beu 1
106 1 1 . . . . . . . . . 7 . HB# parsed_6beu 1
106 1 2 . . . . . . . . . 7 . HD# parsed_6beu 1
107 1 1 . . . . . . . . . 7 . HB# parsed_6beu 1
107 1 2 . . . . . . . . . 7 . HE# parsed_6beu 1
108 1 1 . . . . . . . . . 7 . HB# parsed_6beu 1
108 1 2 . . . . . . . . . 7 . HN parsed_6beu 1
109 1 1 . . . . . . . . . 7 . HD# parsed_6beu 1
109 1 2 . . . . . . . . . 7 . HN parsed_6beu 1
110 1 1 . . . . . . . . . 7 . HB# parsed_6beu 1
110 1 2 . . . . . . . . . 8 . HN parsed_6beu 1
111 1 1 . . . . . . . . . 7 . HD# parsed_6beu 1
111 1 2 . . . . . . . . . 8 . HN parsed_6beu 1
112 1 1 . . . . . . . . . 7 . HE# parsed_6beu 1
112 1 2 . . . . . . . . . 7 . HN parsed_6beu 1
113 1 1 . . . . . . . . . 8 . HB2 parsed_6beu 1
113 1 2 . . . . . . . . . 1 . HA parsed_6beu 1
114 1 1 . . . . . . . . . 8 . HB2 parsed_6beu 1
114 1 2 . . . . . . . . . 1 . HN parsed_6beu 1
115 1 1 . . . . . . . . . 8 . HB2 parsed_6beu 1
115 1 2 . . . . . . . . . 2 . HN parsed_6beu 1
116 1 1 . . . . . . . . . 8 . HB2 parsed_6beu 1
116 1 2 . . . . . . . . . 8 . HN parsed_6beu 1
117 1 1 . . . . . . . . . 8 . HB1 parsed_6beu 1
117 1 2 . . . . . . . . . 1 . HA parsed_6beu 1
118 1 1 . . . . . . . . . 8 . HB1 parsed_6beu 1
118 1 2 . . . . . . . . . 1 . HN parsed_6beu 1
119 1 1 . . . . . . . . . 8 . HB1 parsed_6beu 1
119 1 2 . . . . . . . . . 8 . HN parsed_6beu 1
120 1 1 . . . . . . . . . 9 . HA parsed_6beu 1
120 1 2 . . . . . . . . . 9 . HB1 parsed_6beu 1
121 1 1 . . . . . . . . . 9 . HA parsed_6beu 1
121 1 2 . . . . . . . . . 9 . HB2 parsed_6beu 1
122 1 1 . . . . . . . . . 9 . HA parsed_6beu 1
122 1 2 . . . . . . . . . 9 . HG# parsed_6beu 1
123 1 1 . . . . . . . . . 9 . HB2 parsed_6beu 1
123 1 2 . . . . . . . . . 10 . HN parsed_6beu 1
124 1 1 . . . . . . . . . 9 . HD2 parsed_6beu 1
124 1 2 . . . . . . . . . 9 . HB2 parsed_6beu 1
125 1 1 . . . . . . . . . 9 . HD2 parsed_6beu 1
125 1 2 . . . . . . . . . 9 . HB1 parsed_6beu 1
126 1 1 . . . . . . . . . 9 . HD2 parsed_6beu 1
126 1 2 . . . . . . . . . 9 . HG# parsed_6beu 1
127 1 1 . . . . . . . . . 9 . HD2 parsed_6beu 1
127 1 2 . . . . . . . . . 10 . HN parsed_6beu 1
128 1 1 . . . . . . . . . 9 . HD1 parsed_6beu 1
128 1 2 . . . . . . . . . 8 . HN parsed_6beu 1
129 1 1 . . . . . . . . . 9 . HD1 parsed_6beu 1
129 1 2 . . . . . . . . . 9 . HB2 parsed_6beu 1
130 1 1 . . . . . . . . . 9 . HD1 parsed_6beu 1
130 1 2 . . . . . . . . . 9 . HB1 parsed_6beu 1
131 1 1 . . . . . . . . . 9 . HD1 parsed_6beu 1
131 1 2 . . . . . . . . . 9 . HG# parsed_6beu 1
132 1 1 . . . . . . . . . 9 . HD1 parsed_6beu 1
132 1 2 . . . . . . . . . 10 . HN parsed_6beu 1
133 1 1 . . . . . . . . . 9 . HG# parsed_6beu 1
133 1 2 . . . . . . . . . 10 . HN parsed_6beu 1
134 1 1 . . . . . . . . . 10 . HD22 parsed_6beu 1
134 1 2 . . . . . . . . . 10 . HD21 parsed_6beu 1
135 1 1 . . . . . . . . . 10 . HB1 parsed_6beu 1
135 1 2 . . . . . . . . . 10 . HD21 parsed_6beu 1
136 1 1 . . . . . . . . . 10 . HB2 parsed_6beu 1
136 1 2 . . . . . . . . . 10 . HD21 parsed_6beu 1
137 1 1 . . . . . . . . . 10 . HB2 parsed_6beu 1
137 1 2 . . . . . . . . . 10 . HN parsed_6beu 1
138 1 1 . . . . . . . . . 10 . HB1 parsed_6beu 1
138 1 2 . . . . . . . . . 10 . HN parsed_6beu 1
139 1 1 . . . . . . . . . 11 . HB# parsed_6beu 1
139 1 2 . . . . . . . . . 11 . HN parsed_6beu 1
140 1 1 . . . . . . . . . 11 . HB# parsed_6beu 1
140 1 2 . . . . . . . . . 12 . HN parsed_6beu 1
141 1 1 . . . . . . . . . 11 . HA parsed_6beu 1
141 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1
142 1 1 . . . . . . . . . 11 . HA parsed_6beu 1
142 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1
143 1 1 . . . . . . . . . 11 . HB# parsed_6beu 1
143 1 2 . . . . . . . . . 8 . HN parsed_6beu 1
144 1 1 . . . . . . . . . 11 . HB# parsed_6beu 1
144 1 2 . . . . . . . . . 11 . HA parsed_6beu 1
145 1 1 . . . . . . . . . 11 . HG# parsed_6beu 1
145 1 2 . . . . . . . . . 11 . HA parsed_6beu 1
146 1 1 . . . . . . . . . 11 . HG# parsed_6beu 1
146 1 2 . . . . . . . . . 11 . HN parsed_6beu 1
147 1 1 . . . . . . . . . 11 . HG# parsed_6beu 1
147 1 2 . . . . . . . . . 12 . HN parsed_6beu 1
148 1 1 . . . . . . . . . 12 . HA parsed_6beu 1
148 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1
149 1 1 . . . . . . . . . 12 . HB2 parsed_6beu 1
149 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1
150 1 1 . . . . . . . . . 12 . HB2 parsed_6beu 1
150 1 2 . . . . . . . . . 12 . HN parsed_6beu 1
151 1 1 . . . . . . . . . 12 . HB1 parsed_6beu 1
151 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1
152 1 1 . . . . . . . . . 12 . HB1 parsed_6beu 1
152 1 2 . . . . . . . . . 12 . HN parsed_6beu 1
153 1 1 . . . . . . . . . 12 . HA parsed_6beu 1
153 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1
154 1 1 . . . . . . . . . 12 . HA parsed_6beu 1
154 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1
155 1 1 . . . . . . . . . 12 . HA parsed_6beu 1
155 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1
156 1 1 . . . . . . . . . 12 . HB2 parsed_6beu 1
156 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1
157 1 1 . . . . . . . . . 12 . HB2 parsed_6beu 1
157 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1
158 1 1 . . . . . . . . . 12 . HB2 parsed_6beu 1
158 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1
159 1 1 . . . . . . . . . 12 . HB1 parsed_6beu 1
159 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1
160 1 1 . . . . . . . . . 12 . HB1 parsed_6beu 1
160 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1
161 1 1 . . . . . . . . . 12 . HB1 parsed_6beu 1
161 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1
162 1 1 . . . . . . . . . 12 . HB1 parsed_6beu 1
162 1 2 . . . . . . . . . 13 . HN parsed_6beu 1
163 1 1 . . . . . . . . . 12 . HD2 parsed_6beu 1
163 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1
164 1 1 . . . . . . . . . 12 . HD2 parsed_6beu 1
164 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1
165 1 1 . . . . . . . . . 12 . HD2 parsed_6beu 1
165 1 2 . . . . . . . . . 12 . HN parsed_6beu 1
166 1 1 . . . . . . . . . 12 . HD2 parsed_6beu 1
166 1 2 . . . . . . . . . 13 . HN parsed_6beu 1
167 1 1 . . . . . . . . . 12 . HD1 parsed_6beu 1
167 1 2 . . . . . . . . . 12 . HN parsed_6beu 1
168 1 1 . . . . . . . . . 12 . HE2 parsed_6beu 1
168 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1
169 1 1 . . . . . . . . . 12 . HE2 parsed_6beu 1
169 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1
170 1 1 . . . . . . . . . 12 . HE1 parsed_6beu 1
170 1 2 . . . . . . . . . 12 . HN parsed_6beu 1
171 1 1 . . . . . . . . . 13 . HB parsed_6beu 1
171 1 2 . . . . . . . . . 13 . HN parsed_6beu 1
172 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1
172 1 2 . . . . . . . . . 14 . HD2 parsed_6beu 1
173 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1
173 1 2 . . . . . . . . . 14 . HD1 parsed_6beu 1
174 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1
174 1 2 . . . . . . . . . 3 . HB parsed_6beu 1
175 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1
175 1 2 . . . . . . . . . 3 . HG2# parsed_6beu 1
176 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1
176 1 2 . . . . . . . . . 3 . HG1# parsed_6beu 1
177 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1
177 1 2 . . . . . . . . . 3 . HN parsed_6beu 1
178 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1
178 1 2 . . . . . . . . . 6 . HG1# parsed_6beu 1
179 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1
179 1 2 . . . . . . . . . 8 . HN parsed_6beu 1
180 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1
180 1 2 . . . . . . . . . 12 . HA parsed_6beu 1
181 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1
181 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1
182 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1
182 1 2 . . . . . . . . . 12 . HD1 parsed_6beu 1
183 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1
183 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1
184 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1
184 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1
185 1 1 . . . . . . . . . 13 . HG* parsed_6beu 1
185 1 2 . . . . . . . . . 13 . HN parsed_6beu 1
186 1 1 . . . . . . . . . 13 . HN parsed_6beu 1
186 1 2 . . . . . . . . . 12 . HD2 parsed_6beu 1
187 1 1 . . . . . . . . . 13 . HN parsed_6beu 1
187 1 2 . . . . . . . . . 12 . HE2 parsed_6beu 1
188 1 1 . . . . . . . . . 13 . HN parsed_6beu 1
188 1 2 . . . . . . . . . 12 . HE1 parsed_6beu 1
189 1 1 . . . . . . . . . 14 . HA parsed_6beu 1
189 1 2 . . . . . . . . . 14 . HB1 parsed_6beu 1
190 1 1 . . . . . . . . . 14 . HD2 parsed_6beu 1
190 1 2 . . . . . . . . . 14 . HG1 parsed_6beu 1
191 1 1 . . . . . . . . . 14 . HD2 parsed_6beu 1
191 1 2 . . . . . . . . . 13 . HA parsed_6beu 1
192 1 1 . . . . . . . . . 14 . HD1 parsed_6beu 1
192 1 2 . . . . . . . . . 14 . HG2 parsed_6beu 1
193 1 1 . . . . . . . . . 14 . HD1 parsed_6beu 1
193 1 2 . . . . . . . . . 13 . HA parsed_6beu 1
194 1 1 . . . . . . . . . 14 . HA parsed_6beu 1
194 1 2 . . . . . . . . . 14 . HG2 parsed_6beu 1
195 1 1 . . . . . . . . . 14 . HA parsed_6beu 1
195 1 2 . . . . . . . . . 14 . HG1 parsed_6beu 1
196 1 1 . . . . . . . . . 14 . HB2 parsed_6beu 1
196 1 2 . . . . . . . . . 1 . HN parsed_6beu 1
197 1 1 . . . . . . . . . 14 . HB1 parsed_6beu 1
197 1 2 . . . . . . . . . 1 . HN parsed_6beu 1
198 1 1 . . . . . . . . . 14 . HD2 parsed_6beu 1
198 1 2 . . . . . . . . . 14 . HB2 parsed_6beu 1
199 1 1 . . . . . . . . . 14 . HD2 parsed_6beu 1
199 1 2 . . . . . . . . . 14 . HB1 parsed_6beu 1
200 1 1 . . . . . . . . . 14 . HD2 parsed_6beu 1
200 1 2 . . . . . . . . . 14 . HG2 parsed_6beu 1
201 1 1 . . . . . . . . . 14 . HD1 parsed_6beu 1
201 1 2 . . . . . . . . . 14 . HB2 parsed_6beu 1
202 1 1 . . . . . . . . . 14 . HD1 parsed_6beu 1
202 1 2 . . . . . . . . . 14 . HB1 parsed_6beu 1
203 1 1 . . . . . . . . . 14 . HD1 parsed_6beu 1
203 1 2 . . . . . . . . . 14 . HG1 parsed_6beu 1
204 1 1 . . . . . . . . . 14 . HG2 parsed_6beu 1
204 1 2 . . . . . . . . . 1 . HN parsed_6beu 1
205 1 1 . . . . . . . . . 14 . HG1 parsed_6beu 1
205 1 2 . . . . . . . . . 1 . HN parsed_6beu 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 . . . . . 3.5 2.3 4.7 parsed_6beu 1
2 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
3 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
4 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
5 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
6 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
7 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
8 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
9 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
10 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
11 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
12 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
13 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
14 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
15 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
16 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
17 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
18 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
19 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
20 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
21 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
22 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
23 1 . . . . . 2.5 1.8 3.2 parsed_6beu 1
24 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
25 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
26 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
27 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
28 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
29 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
30 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
31 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
32 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
33 1 . . . . . 2.5 1.8 3.2 parsed_6beu 1
34 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
35 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
36 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
37 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
38 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
39 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
40 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
41 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
42 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
43 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
44 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
45 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
46 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
47 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
48 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
49 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
50 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
51 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
52 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
53 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
54 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
55 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
56 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
57 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
58 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
59 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
60 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
61 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
62 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
63 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
64 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
65 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
66 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
67 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
68 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
69 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
70 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
71 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
72 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
73 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
74 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
75 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
76 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
77 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
78 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
79 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
80 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
81 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
82 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
83 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
84 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
85 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
86 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
87 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
88 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
89 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
90 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
91 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
92 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
93 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
94 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
95 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
96 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
97 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
98 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
99 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
100 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
101 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
102 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
103 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
104 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
105 1 . . . . . 2.5 1.8 3.2 parsed_6beu 1
106 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
107 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
108 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
109 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
110 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
111 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
112 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
113 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
114 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
115 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
116 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
117 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
118 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
119 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
120 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
121 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
122 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
123 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
124 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
125 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
126 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
127 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
128 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
129 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
130 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
131 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
132 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
133 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
134 1 . . . . . 2.5 1.8 3.2 parsed_6beu 1
135 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
136 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
137 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
138 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
139 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
140 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
141 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
142 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
143 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
144 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
145 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
146 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
147 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
148 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
149 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
150 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
151 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
152 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
153 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
154 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
155 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
156 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
157 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
158 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
159 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
160 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
161 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
162 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
163 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
164 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
165 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
166 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
167 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
168 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
169 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
170 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
171 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
172 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
173 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
174 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
175 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
176 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
177 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
178 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
179 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
180 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
181 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
182 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
183 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
184 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
185 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
186 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
187 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
188 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
189 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
190 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
191 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
192 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
193 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
194 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
195 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
196 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
197 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
198 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
199 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
200 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
201 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
202 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
203 1 . . . . . 3.5 2.3 4.7 parsed_6beu 1
204 1 . . . . . 4.5 2.9 6.1 parsed_6beu 1
205 1 . . . . . 4.5 2.9 6.1 parsed_6beu 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
;
-------------------------------------------------------------------------!
NOE Table for Sergey peptide !
Updated 053117 mds
Sergey, 14mer cys ASN val pro ASP VAL TYR CYS pro asn LYS TYR val pro
Upper case L-Amino Acid
Lower case D-Amino Acid
! NOE binning !!
strong 2.5 0.7 0.7
medium 3.5 1.2 1.2
weak 4.5 1.6 1.6
very weak 5.0 2.0 2.0
TOTAL NOES = 203
long range (j-i >6) = 33
short range (2 > j-i < 5) = 8
sequential (i to j) = 65
intraresidue (i to i) = 97
------------------------------------------------------------------------!
! BACKBONE NOEs !!
HA-HN
;
2 1 24 8 parsed_6beu 1
2
;
assign ( resid 14 and name HA ) ( resid 8 and name HN ) 4.5 1.6 1.6
HN-HN
;
48 1 50 7 parsed_6beu 1
3 "was not in initial list but in experimental data" 52 75 52 124 parsed_6beu 1
4 "was not in initial list but in experimental data" 57 76 57 125 parsed_6beu 1
5 "was not in initial list but in experimental data" 58 75 58 124 parsed_6beu 1
6
;
was not in initial list but in experimental data
HA-HA
;
59 75 61 8 parsed_6beu 1
7 "!side chain !!" 64 1 64 16 parsed_6beu 1
8 "assign ( resid 3 and name HG2#) ( resid 14 and name HD1 ) 4.5 1.6 1.6" 78 1 78 74 parsed_6beu 1
9 "assign ( resid 3 and name HG1# ) ( resid 7 and name HD# ) 4.5 1.6 1.6" 88 1 88 74 parsed_6beu 1
10 "assign ( resid 6 and name HG1#) ( resid 2 and name HD21 ) 4.5 1.6 1.6" 133 1 133 74 parsed_6beu 1
11 "assign ( resid 6 and name HG1# ) ( resid 11 and name HN 4.5 1.6 1.6 !maybe artifact, very weak at 500ms on 500mhz not at shorter mixing time or 800mzh data" 143 1 143 162 parsed_6beu 1
12 "assign ( resid 9 and name HD2 ) ( resid 8 and name HN ) 4.5 1.6 1.6" 173 1 173 75 parsed_6beu 1
13 "assign ( resid 9 and name HG# ) ( resid 12 and name HD1 ) 4.5 1.6 1.6" 184 1 184 74 parsed_6beu 1
14
;
assign ( resid 13 and name HB ) ( resid 12 and name HD1 ) 4.5 1.6 1.6 !too weak
assign ( resid 13 and name HB ) ( resid 12 and name HE1 ) 4.5 1.6 1.6
;
230 1 231 75 parsed_6beu 1
15 "assign ( resid 13 and name HG* ) ( resid 5 and name HN ) 4.5 1.6 1.6" 239 1 239 74 parsed_6beu 1
16 "assign ( resid 14 and name HA ) ( resid 14 and name HB2 ) 4.5 1.6 1.6" 257 1 257 75 parsed_6beu 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 1: sergey_noe.tbl" 1 1 1 35 parsed_6beu 1
stop_
save_
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