Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
623691 | 6ber RC | 30360 | cing | 2-parsed | STAR | entry | full | 202 |
data_6ber_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ber
_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_6ber 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ber
_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 6ber "Master copy" parsed_6ber
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ber
_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 6ber.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ber 1
1 6ber.mr . . XPLOR/CNS 2 distance NOE simple 202 parsed_6ber 1
1 6ber.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ber 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_6ber
_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 6BER
*TITLE SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN10.2
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: E(DVA)DP(DGL)(DHI)(DPR)N(DAL)(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 6BER 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6ber
_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_6ber 1
2 1 . . . parsed_6ber 1
3 1 . . . parsed_6ber 1
4 1 . . . parsed_6ber 1
5 1 . . . parsed_6ber 1
6 1 . . . parsed_6ber 1
7 1 . . . parsed_6ber 1
8 1 . . . parsed_6ber 1
9 1 . . . parsed_6ber 1
10 1 . . . parsed_6ber 1
11 1 . . . parsed_6ber 1
12 1 . . . parsed_6ber 1
13 1 . . . parsed_6ber 1
14 1 . . . parsed_6ber 1
15 1 . . . parsed_6ber 1
16 1 . . . parsed_6ber 1
17 1 . . . parsed_6ber 1
18 1 . . . parsed_6ber 1
19 1 . . . parsed_6ber 1
20 1 . . . parsed_6ber 1
21 1 . . . parsed_6ber 1
22 1 . . . parsed_6ber 1
23 1 . . . parsed_6ber 1
24 1 . . . parsed_6ber 1
25 1 . . . parsed_6ber 1
26 1 . . . parsed_6ber 1
27 1 . . . parsed_6ber 1
28 1 . . . parsed_6ber 1
29 1 . . . parsed_6ber 1
30 1 . . . parsed_6ber 1
31 1 . . . parsed_6ber 1
32 1 . . . parsed_6ber 1
33 1 . . . parsed_6ber 1
34 1 . . . parsed_6ber 1
35 1 . . . parsed_6ber 1
36 1 . . . parsed_6ber 1
37 1 . . . parsed_6ber 1
38 1 . . . parsed_6ber 1
39 1 . . . parsed_6ber 1
40 1 . . . parsed_6ber 1
41 1 . . . parsed_6ber 1
42 1 . . . parsed_6ber 1
43 1 . . . parsed_6ber 1
44 1 . . . parsed_6ber 1
45 1 . . . parsed_6ber 1
46 1 . . . parsed_6ber 1
47 1 . . . parsed_6ber 1
48 1 . . . parsed_6ber 1
49 1 . . . parsed_6ber 1
50 1 . . . parsed_6ber 1
51 1 . . . parsed_6ber 1
52 1 . . . parsed_6ber 1
53 1 . . . parsed_6ber 1
54 1 . . . parsed_6ber 1
55 1 . . . parsed_6ber 1
56 1 . . . parsed_6ber 1
57 1 . . . parsed_6ber 1
58 1 . . . parsed_6ber 1
59 1 . . . parsed_6ber 1
60 1 . . . parsed_6ber 1
61 1 . . . parsed_6ber 1
62 1 . . . parsed_6ber 1
63 1 . . . parsed_6ber 1
64 1 . . . parsed_6ber 1
65 1 . . . parsed_6ber 1
66 1 . . . parsed_6ber 1
67 1 . . . parsed_6ber 1
68 1 . . . parsed_6ber 1
69 1 . . . parsed_6ber 1
70 1 . . . parsed_6ber 1
71 1 . . . parsed_6ber 1
72 1 . . . parsed_6ber 1
73 1 . . . parsed_6ber 1
74 1 . . . parsed_6ber 1
75 1 . . . parsed_6ber 1
76 1 . . . parsed_6ber 1
77 1 . . . parsed_6ber 1
78 1 . . . parsed_6ber 1
79 1 . . . parsed_6ber 1
80 1 . . . parsed_6ber 1
81 1 . . . parsed_6ber 1
82 1 . . . parsed_6ber 1
83 1 . . . parsed_6ber 1
84 1 . . . parsed_6ber 1
85 1 . . . parsed_6ber 1
86 1 . . . parsed_6ber 1
87 1 . . . parsed_6ber 1
88 1 . . . parsed_6ber 1
89 1 . . . parsed_6ber 1
90 1 . . . parsed_6ber 1
91 1 . . . parsed_6ber 1
92 1 . . . parsed_6ber 1
93 1 . . . parsed_6ber 1
94 1 . . . parsed_6ber 1
95 1 . . . parsed_6ber 1
96 1 . . . parsed_6ber 1
97 1 . . . parsed_6ber 1
98 1 . . . parsed_6ber 1
99 1 . . . parsed_6ber 1
100 1 . . . parsed_6ber 1
101 1 . . . parsed_6ber 1
102 1 . . . parsed_6ber 1
103 1 . . . parsed_6ber 1
104 1 . . . parsed_6ber 1
105 1 . . . parsed_6ber 1
106 1 . . . parsed_6ber 1
107 1 . . . parsed_6ber 1
108 1 . . . parsed_6ber 1
109 1 . . . parsed_6ber 1
110 1 . . . parsed_6ber 1
111 1 . . . parsed_6ber 1
112 1 . . . parsed_6ber 1
113 1 . . . parsed_6ber 1
114 1 . . . parsed_6ber 1
115 1 . . . parsed_6ber 1
116 1 . . . parsed_6ber 1
117 1 . . . parsed_6ber 1
118 1 . . . parsed_6ber 1
119 1 . . . parsed_6ber 1
120 1 . . . parsed_6ber 1
121 1 . . . parsed_6ber 1
122 1 . . . parsed_6ber 1
123 1 . . . parsed_6ber 1
124 1 . . . parsed_6ber 1
125 1 . . . parsed_6ber 1
126 1 . . . parsed_6ber 1
127 1 . . . parsed_6ber 1
128 1 . . . parsed_6ber 1
129 1 . . . parsed_6ber 1
130 1 . . . parsed_6ber 1
131 1 . . . parsed_6ber 1
132 1 . . . parsed_6ber 1
133 1 . . . parsed_6ber 1
134 1 . . . parsed_6ber 1
135 1 . . . parsed_6ber 1
136 1 . . . parsed_6ber 1
137 1 . . . parsed_6ber 1
138 1 . . . parsed_6ber 1
139 1 . . . parsed_6ber 1
140 1 . . . parsed_6ber 1
141 1 . . . parsed_6ber 1
142 1 . . . parsed_6ber 1
143 1 . . . parsed_6ber 1
144 1 . . . parsed_6ber 1
145 1 . . . parsed_6ber 1
146 1 . . . parsed_6ber 1
147 1 . . . parsed_6ber 1
148 1 . . . parsed_6ber 1
149 1 . . . parsed_6ber 1
150 1 . . . parsed_6ber 1
151 1 . . . parsed_6ber 1
152 1 . . . parsed_6ber 1
153 1 . . . parsed_6ber 1
154 1 . . . parsed_6ber 1
155 1 . . . parsed_6ber 1
156 1 . . . parsed_6ber 1
157 1 . . . parsed_6ber 1
158 1 . . . parsed_6ber 1
159 1 . . . parsed_6ber 1
160 1 . . . parsed_6ber 1
161 1 . . . parsed_6ber 1
162 1 . . . parsed_6ber 1
163 1 . . . parsed_6ber 1
164 1 . . . parsed_6ber 1
165 1 . . . parsed_6ber 1
166 1 . . . parsed_6ber 1
167 1 . . . parsed_6ber 1
168 1 . . . parsed_6ber 1
169 1 . . . parsed_6ber 1
170 1 . . . parsed_6ber 1
171 1 . . . parsed_6ber 1
172 1 . . . parsed_6ber 1
173 1 . . . parsed_6ber 1
174 1 . . . parsed_6ber 1
175 1 . . . parsed_6ber 1
176 1 . . . parsed_6ber 1
177 1 . . . parsed_6ber 1
178 1 . . . parsed_6ber 1
179 1 . . . parsed_6ber 1
180 1 . . . parsed_6ber 1
181 1 . . . parsed_6ber 1
182 1 . . . parsed_6ber 1
183 1 . . . parsed_6ber 1
184 1 . . . parsed_6ber 1
185 1 . . . parsed_6ber 1
186 1 . . . parsed_6ber 1
187 1 . . . parsed_6ber 1
188 1 . . . parsed_6ber 1
189 1 . . . parsed_6ber 1
190 1 . . . parsed_6ber 1
191 1 . . . parsed_6ber 1
192 1 . . . parsed_6ber 1
193 1 . . . parsed_6ber 1
194 1 . . . parsed_6ber 1
195 1 . . . parsed_6ber 1
196 1 . . . parsed_6ber 1
197 1 . . . parsed_6ber 1
198 1 . . . parsed_6ber 1
199 1 . . . parsed_6ber 1
200 1 . . . parsed_6ber 1
201 1 . . . parsed_6ber 1
202 1 . . . parsed_6ber 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_6ber 1
1 1 2 . . . . . . . . . 1 . HN parsed_6ber 1
2 1 1 . . . . . . . . . 1 . HA parsed_6ber 1
2 1 2 . . . . . . . . . 2 . HN parsed_6ber 1
3 1 1 . . . . . . . . . 1 . HA parsed_6ber 1
3 1 2 . . . . . . . . . 3 . HN parsed_6ber 1
4 1 1 . . . . . . . . . 2 . HA parsed_6ber 1
4 1 2 . . . . . . . . . 2 . HN parsed_6ber 1
5 1 1 . . . . . . . . . 2 . HA parsed_6ber 1
5 1 2 . . . . . . . . . 3 . HN parsed_6ber 1
6 1 1 . . . . . . . . . 3 . HA parsed_6ber 1
6 1 2 . . . . . . . . . 3 . HN parsed_6ber 1
7 1 1 . . . . . . . . . 4 . HA parsed_6ber 1
7 1 2 . . . . . . . . . 5 . HN parsed_6ber 1
8 1 1 . . . . . . . . . 4 . HA parsed_6ber 1
8 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
9 1 1 . . . . . . . . . 5 . HA parsed_6ber 1
9 1 2 . . . . . . . . . 5 . HN parsed_6ber 1
10 1 1 . . . . . . . . . 5 . HA parsed_6ber 1
10 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
11 1 1 . . . . . . . . . 6 . HA parsed_6ber 1
11 1 2 . . . . . . . . . 5 . HN parsed_6ber 1
12 1 1 . . . . . . . . . 6 . HA parsed_6ber 1
12 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
13 1 1 . . . . . . . . . 6 . HA parsed_6ber 1
13 1 2 . . . . . . . . . 8 . HN parsed_6ber 1
14 1 1 . . . . . . . . . 6 . HA parsed_6ber 1
14 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
15 1 1 . . . . . . . . . 7 . HA parsed_6ber 1
15 1 2 . . . . . . . . . 8 . HN parsed_6ber 1
16 1 1 . . . . . . . . . 7 . HA parsed_6ber 1
16 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
17 1 1 . . . . . . . . . 8 . HA parsed_6ber 1
17 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
18 1 1 . . . . . . . . . 8 . HA parsed_6ber 1
18 1 2 . . . . . . . . . 8 . HN parsed_6ber 1
19 1 1 . . . . . . . . . 9 . HA parsed_6ber 1
19 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
20 1 1 . . . . . . . . . 9 . HA parsed_6ber 1
20 1 2 . . . . . . . . . 8 . HN parsed_6ber 1
21 1 1 . . . . . . . . . 10 . HA parsed_6ber 1
21 1 2 . . . . . . . . . 1 . HN parsed_6ber 1
22 1 1 . . . . . . . . . 2 . HN parsed_6ber 1
22 1 2 . . . . . . . . . 3 . HN parsed_6ber 1
23 1 1 . . . . . . . . . 2 . HN parsed_6ber 1
23 1 2 . . . . . . . . . 1 . HN parsed_6ber 1
24 1 1 . . . . . . . . . 6 . HN parsed_6ber 1
24 1 2 . . . . . . . . . 5 . HN parsed_6ber 1
25 1 1 . . . . . . . . . 6 . HN parsed_6ber 1
25 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
26 1 1 . . . . . . . . . 9 . HN parsed_6ber 1
26 1 2 . . . . . . . . . 8 . HN parsed_6ber 1
27 1 1 . . . . . . . . . 2 . HA parsed_6ber 1
27 1 2 . . . . . . . . . 1 . HA parsed_6ber 1
28 1 1 . . . . . . . . . 1 . HB1 parsed_6ber 1
28 1 2 . . . . . . . . . 1 . HN parsed_6ber 1
29 1 1 . . . . . . . . . 1 . HG# parsed_6ber 1
29 1 2 . . . . . . . . . 1 . HA parsed_6ber 1
30 1 1 . . . . . . . . . 1 . HB2 parsed_6ber 1
30 1 2 . . . . . . . . . 1 . HN parsed_6ber 1
31 1 1 . . . . . . . . . 1 . HB2 parsed_6ber 1
31 1 2 . . . . . . . . . 2 . HA parsed_6ber 1
32 1 1 . . . . . . . . . 1 . HB2 parsed_6ber 1
32 1 2 . . . . . . . . . 2 . HN parsed_6ber 1
33 1 1 . . . . . . . . . 1 . HB1 parsed_6ber 1
33 1 2 . . . . . . . . . 1 . HA parsed_6ber 1
34 1 1 . . . . . . . . . 1 . HB1 parsed_6ber 1
34 1 2 . . . . . . . . . 2 . HN parsed_6ber 1
35 1 1 . . . . . . . . . 1 . HG# parsed_6ber 1
35 1 2 . . . . . . . . . 1 . HN parsed_6ber 1
36 1 1 . . . . . . . . . 1 . HG# parsed_6ber 1
36 1 2 . . . . . . . . . 2 . HN parsed_6ber 1
37 1 1 . . . . . . . . . 2 . HB parsed_6ber 1
37 1 2 . . . . . . . . . 2 . HN parsed_6ber 1
38 1 1 . . . . . . . . . 2 . HB parsed_6ber 1
38 1 2 . . . . . . . . . 3 . HN parsed_6ber 1
39 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
39 1 2 . . . . . . . . . 2 . HA parsed_6ber 1
40 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
40 1 2 . . . . . . . . . 2 . HB parsed_6ber 1
41 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
41 1 2 . . . . . . . . . 2 . HN parsed_6ber 1
42 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
42 1 2 . . . . . . . . . 3 . HN parsed_6ber 1
43 1 1 . . . . . . . . . 2 . HB parsed_6ber 1
43 1 2 . . . . . . . . . 6 . HB2 parsed_6ber 1
44 1 1 . . . . . . . . . 2 . HB parsed_6ber 1
44 1 2 . . . . . . . . . 6 . HB1 parsed_6ber 1
45 1 1 . . . . . . . . . 2 . HB parsed_6ber 1
45 1 2 . . . . . . . . . 9 . HB# parsed_6ber 1
46 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
46 1 2 . . . . . . . . . 1 . HA parsed_6ber 1
47 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
47 1 2 . . . . . . . . . 1 . HB2 parsed_6ber 1
48 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
48 1 2 . . . . . . . . . 1 . HB1 parsed_6ber 1
49 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
49 1 2 . . . . . . . . . 1 . HG# parsed_6ber 1
50 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
50 1 2 . . . . . . . . . 3 . HB2 parsed_6ber 1
51 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
51 1 2 . . . . . . . . . 3 . HB1 parsed_6ber 1
52 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
52 1 2 . . . . . . . . . 4 . HA parsed_6ber 1
53 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
53 1 2 . . . . . . . . . 4 . HD2 parsed_6ber 1
54 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
54 1 2 . . . . . . . . . 4 . HD1 parsed_6ber 1
55 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
55 1 2 . . . . . . . . . 6 . HB1 parsed_6ber 1
56 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
56 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1
57 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
57 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
58 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
58 1 2 . . . . . . . . . 9 . HB# parsed_6ber 1
59 1 1 . . . . . . . . . 2 . HG* parsed_6ber 1
59 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
60 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1
60 1 2 . . . . . . . . . 3 . HN parsed_6ber 1
61 1 1 . . . . . . . . . 3 . HB2 parsed_6ber 1
61 1 2 . . . . . . . . . 3 . HN parsed_6ber 1
62 1 1 . . . . . . . . . 3 . HB2 parsed_6ber 1
62 1 2 . . . . . . . . . 4 . HA parsed_6ber 1
63 1 1 . . . . . . . . . 3 . HB2 parsed_6ber 1
63 1 2 . . . . . . . . . 4 . HD2 parsed_6ber 1
64 1 1 . . . . . . . . . 3 . HB2 parsed_6ber 1
64 1 2 . . . . . . . . . 4 . HD1 parsed_6ber 1
65 1 1 . . . . . . . . . 3 . HB2 parsed_6ber 1
65 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
66 1 1 . . . . . . . . . 3 . HB2 parsed_6ber 1
66 1 2 . . . . . . . . . 8 . HN parsed_6ber 1
67 1 1 . . . . . . . . . 3 . HB2 parsed_6ber 1
67 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
68 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1
68 1 2 . . . . . . . . . 2 . HA parsed_6ber 1
69 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1
69 1 2 . . . . . . . . . 4 . HA parsed_6ber 1
70 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1
70 1 2 . . . . . . . . . 4 . HD2 parsed_6ber 1
71 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1
71 1 2 . . . . . . . . . 4 . HD1 parsed_6ber 1
72 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1
72 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
73 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1
73 1 2 . . . . . . . . . 8 . HN parsed_6ber 1
74 1 1 . . . . . . . . . 3 . HB1 parsed_6ber 1
74 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
75 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1
75 1 2 . . . . . . . . . 4 . HG# parsed_6ber 1
76 1 1 . . . . . . . . . 4 . HA parsed_6ber 1
76 1 2 . . . . . . . . . 3 . HB2 parsed_6ber 1
77 1 1 . . . . . . . . . 4 . HA parsed_6ber 1
77 1 2 . . . . . . . . . 3 . HB1 parsed_6ber 1
78 1 1 . . . . . . . . . 4 . HA parsed_6ber 1
78 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1
79 1 1 . . . . . . . . . 4 . HB2 parsed_6ber 1
79 1 2 . . . . . . . . . 5 . HA parsed_6ber 1
80 1 1 . . . . . . . . . 4 . HB2 parsed_6ber 1
80 1 2 . . . . . . . . . 5 . HN parsed_6ber 1
81 1 1 . . . . . . . . . 4 . HB2 parsed_6ber 1
81 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
82 1 1 . . . . . . . . . 4 . HB1 parsed_6ber 1
82 1 2 . . . . . . . . . 4 . HD2 parsed_6ber 1
83 1 1 . . . . . . . . . 4 . HB1 parsed_6ber 1
83 1 2 . . . . . . . . . 4 . HD1 parsed_6ber 1
84 1 1 . . . . . . . . . 4 . HB1 parsed_6ber 1
84 1 2 . . . . . . . . . 5 . HN parsed_6ber 1
85 1 1 . . . . . . . . . 4 . HB1 parsed_6ber 1
85 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
86 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1
86 1 2 . . . . . . . . . 3 . HB2 parsed_6ber 1
87 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1
87 1 2 . . . . . . . . . 3 . HB1 parsed_6ber 1
88 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1
88 1 2 . . . . . . . . . 3 . HN parsed_6ber 1
89 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1
89 1 2 . . . . . . . . . 4 . HB2 parsed_6ber 1
90 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1
90 1 2 . . . . . . . . . 4 . HB1 parsed_6ber 1
91 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1
91 1 2 . . . . . . . . . 5 . HN parsed_6ber 1
92 1 1 . . . . . . . . . 4 . HD2 parsed_6ber 1
92 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
93 1 1 . . . . . . . . . 4 . HD1 parsed_6ber 1
93 1 2 . . . . . . . . . 3 . HB2 parsed_6ber 1
94 1 1 . . . . . . . . . 4 . HD1 parsed_6ber 1
94 1 2 . . . . . . . . . 3 . HB1 parsed_6ber 1
95 1 1 . . . . . . . . . 4 . HD1 parsed_6ber 1
95 1 2 . . . . . . . . . 3 . HN parsed_6ber 1
96 1 1 . . . . . . . . . 4 . HD1 parsed_6ber 1
96 1 2 . . . . . . . . . 4 . HA parsed_6ber 1
97 1 1 . . . . . . . . . 4 . HD1 parsed_6ber 1
97 1 2 . . . . . . . . . 4 . HB1 parsed_6ber 1
98 1 1 . . . . . . . . . 4 . HD1 parsed_6ber 1
98 1 2 . . . . . . . . . 5 . HN parsed_6ber 1
99 1 1 . . . . . . . . . 4 . HD1 parsed_6ber 1
99 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
100 1 1 . . . . . . . . . 5 . HB2 parsed_6ber 1
100 1 2 . . . . . . . . . 5 . HN parsed_6ber 1
101 1 1 . . . . . . . . . 5 . HB1 parsed_6ber 1
101 1 2 . . . . . . . . . 5 . HN parsed_6ber 1
102 1 1 . . . . . . . . . 5 . HA parsed_6ber 1
102 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1
103 1 1 . . . . . . . . . 5 . HB2 parsed_6ber 1
103 1 2 . . . . . . . . . 4 . HA parsed_6ber 1
104 1 1 . . . . . . . . . 5 . HB2 parsed_6ber 1
104 1 2 . . . . . . . . . 5 . HA parsed_6ber 1
105 1 1 . . . . . . . . . 5 . HB2 parsed_6ber 1
105 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1
106 1 1 . . . . . . . . . 5 . HB2 parsed_6ber 1
106 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
107 1 1 . . . . . . . . . 5 . HB1 parsed_6ber 1
107 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1
108 1 1 . . . . . . . . . 5 . HB1 parsed_6ber 1
108 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
109 1 1 . . . . . . . . . 5 . HG# parsed_6ber 1
109 1 2 . . . . . . . . . 5 . HN parsed_6ber 1
110 1 1 . . . . . . . . . 5 . HG# parsed_6ber 1
110 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1
111 1 1 . . . . . . . . . 5 . HG# parsed_6ber 1
111 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
112 1 1 . . . . . . . . . 6 . HB1 parsed_6ber 1
112 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1
113 1 1 . . . . . . . . . 6 . HA parsed_6ber 1
113 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1
114 1 1 . . . . . . . . . 6 . HB2 parsed_6ber 1
114 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1
115 1 1 . . . . . . . . . 6 . HB2 parsed_6ber 1
115 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
116 1 1 . . . . . . . . . 6 . HB2 parsed_6ber 1
116 1 2 . . . . . . . . . 7 . HA parsed_6ber 1
117 1 1 . . . . . . . . . 6 . HB2 parsed_6ber 1
117 1 2 . . . . . . . . . 7 . HD2 parsed_6ber 1
118 1 1 . . . . . . . . . 6 . HB2 parsed_6ber 1
118 1 2 . . . . . . . . . 7 . HD1 parsed_6ber 1
119 1 1 . . . . . . . . . 6 . HB2 parsed_6ber 1
119 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
120 1 1 . . . . . . . . . 6 . HB1 parsed_6ber 1
120 1 2 . . . . . . . . . 5 . HN parsed_6ber 1
121 1 1 . . . . . . . . . 6 . HB1 parsed_6ber 1
121 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
122 1 1 . . . . . . . . . 6 . HB1 parsed_6ber 1
122 1 2 . . . . . . . . . 7 . HA parsed_6ber 1
123 1 1 . . . . . . . . . 6 . HB1 parsed_6ber 1
123 1 2 . . . . . . . . . 7 . HD1 parsed_6ber 1
124 1 1 . . . . . . . . . 6 . HB1 parsed_6ber 1
124 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
125 1 1 . . . . . . . . . 6 . HD2 parsed_6ber 1
125 1 2 . . . . . . . . . 5 . HN parsed_6ber 1
126 1 1 . . . . . . . . . 6 . HD2 parsed_6ber 1
126 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
127 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1
127 1 2 . . . . . . . . . 7 . HG1 parsed_6ber 1
128 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1
128 1 2 . . . . . . . . . 7 . HG2 parsed_6ber 1
129 1 1 . . . . . . . . . 7 . HB2 parsed_6ber 1
129 1 2 . . . . . . . . . 8 . HD21 parsed_6ber 1
130 1 1 . . . . . . . . . 7 . HB2 parsed_6ber 1
130 1 2 . . . . . . . . . 8 . HN parsed_6ber 1
131 1 1 . . . . . . . . . 7 . HB2 parsed_6ber 1
131 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
132 1 1 . . . . . . . . . 7 . HB1 parsed_6ber 1
132 1 2 . . . . . . . . . 7 . HD1 parsed_6ber 1
133 1 1 . . . . . . . . . 7 . HB1 parsed_6ber 1
133 1 2 . . . . . . . . . 8 . HN parsed_6ber 1
134 1 1 . . . . . . . . . 7 . HB1 parsed_6ber 1
134 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
135 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1
135 1 2 . . . . . . . . . 6 . HA parsed_6ber 1
136 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1
136 1 2 . . . . . . . . . 6 . HB2 parsed_6ber 1
137 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1
137 1 2 . . . . . . . . . 6 . HB1 parsed_6ber 1
138 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1
138 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1
139 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1
139 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
140 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1
140 1 2 . . . . . . . . . 7 . HA parsed_6ber 1
141 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1
141 1 2 . . . . . . . . . 7 . HB2 parsed_6ber 1
142 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1
142 1 2 . . . . . . . . . 7 . HB1 parsed_6ber 1
143 1 1 . . . . . . . . . 7 . HD2 parsed_6ber 1
143 1 2 . . . . . . . . . 7 . HG2 parsed_6ber 1
144 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1
144 1 2 . . . . . . . . . 5 . HA parsed_6ber 1
145 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1
145 1 2 . . . . . . . . . 5 . HN parsed_6ber 1
146 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1
146 1 2 . . . . . . . . . 6 . HA parsed_6ber 1
147 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1
147 1 2 . . . . . . . . . 6 . HB2 parsed_6ber 1
148 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1
148 1 2 . . . . . . . . . 6 . HB1 parsed_6ber 1
149 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1
149 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1
150 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1
150 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
151 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1
151 1 2 . . . . . . . . . 7 . HA parsed_6ber 1
152 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1
152 1 2 . . . . . . . . . 7 . HB2 parsed_6ber 1
153 1 1 . . . . . . . . . 7 . HD1 parsed_6ber 1
153 1 2 . . . . . . . . . 7 . HB1 parsed_6ber 1
154 1 1 . . . . . . . . . 7 . HG1 parsed_6ber 1
154 1 2 . . . . . . . . . 8 . HN parsed_6ber 1
155 1 1 . . . . . . . . . 8 . HD22 parsed_6ber 1
155 1 2 . . . . . . . . . 8 . HD21 parsed_6ber 1
156 1 1 . . . . . . . . . 8 . HB2 parsed_6ber 1
156 1 2 . . . . . . . . . 8 . HN parsed_6ber 1
157 1 1 . . . . . . . . . 8 . HA parsed_6ber 1
157 1 2 . . . . . . . . . 8 . HD21 parsed_6ber 1
158 1 1 . . . . . . . . . 8 . HB2 parsed_6ber 1
158 1 2 . . . . . . . . . 7 . HA parsed_6ber 1
159 1 1 . . . . . . . . . 8 . HB2 parsed_6ber 1
159 1 2 . . . . . . . . . 8 . HA parsed_6ber 1
160 1 1 . . . . . . . . . 8 . HB2 parsed_6ber 1
160 1 2 . . . . . . . . . 8 . HD21 parsed_6ber 1
161 1 1 . . . . . . . . . 8 . HB2 parsed_6ber 1
161 1 2 . . . . . . . . . 8 . HD22 parsed_6ber 1
162 1 1 . . . . . . . . . 8 . HB2 parsed_6ber 1
162 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
163 1 1 . . . . . . . . . 8 . HB1 parsed_6ber 1
163 1 2 . . . . . . . . . 7 . HA parsed_6ber 1
164 1 1 . . . . . . . . . 8 . HB1 parsed_6ber 1
164 1 2 . . . . . . . . . 8 . HA parsed_6ber 1
165 1 1 . . . . . . . . . 8 . HB1 parsed_6ber 1
165 1 2 . . . . . . . . . 8 . HD21 parsed_6ber 1
166 1 1 . . . . . . . . . 8 . HB1 parsed_6ber 1
166 1 2 . . . . . . . . . 8 . HD22 parsed_6ber 1
167 1 1 . . . . . . . . . 8 . HB1 parsed_6ber 1
167 1 2 . . . . . . . . . 8 . HN parsed_6ber 1
168 1 1 . . . . . . . . . 8 . HB1 parsed_6ber 1
168 1 2 . . . . . . . . . 9 . HA parsed_6ber 1
169 1 1 . . . . . . . . . 8 . HB1 parsed_6ber 1
169 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
170 1 1 . . . . . . . . . 8 . HD21 parsed_6ber 1
170 1 2 . . . . . . . . . 8 . HN parsed_6ber 1
171 1 1 . . . . . . . . . 8 . HD22 parsed_6ber 1
171 1 2 . . . . . . . . . 8 . HN parsed_6ber 1
172 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1
172 1 2 . . . . . . . . . 9 . HA parsed_6ber 1
173 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1
173 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
174 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1
174 1 2 . . . . . . . . . 10 . HD1 parsed_6ber 1
175 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1
175 1 2 . . . . . . . . . 2 . HN parsed_6ber 1
176 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1
176 1 2 . . . . . . . . . 3 . HB2 parsed_6ber 1
177 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1
177 1 2 . . . . . . . . . 3 . HB1 parsed_6ber 1
178 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1
178 1 2 . . . . . . . . . 3 . HN parsed_6ber 1
179 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1
179 1 2 . . . . . . . . . 7 . HA parsed_6ber 1
180 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1
180 1 2 . . . . . . . . . 5 . HN parsed_6ber 1
181 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1
181 1 2 . . . . . . . . . 6 . HB1 parsed_6ber 1
182 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1
182 1 2 . . . . . . . . . 6 . HD2 parsed_6ber 1
183 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1
183 1 2 . . . . . . . . . 6 . HN parsed_6ber 1
184 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1
184 1 2 . . . . . . . . . 10 . HA parsed_6ber 1
185 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1
185 1 2 . . . . . . . . . 10 . HD2 parsed_6ber 1
186 1 1 . . . . . . . . . 9 . HB# parsed_6ber 1
186 1 2 . . . . . . . . . 10 . HG# parsed_6ber 1
187 1 1 . . . . . . . . . 10 . HD2 parsed_6ber 1
187 1 2 . . . . . . . . . 10 . HG# parsed_6ber 1
188 1 1 . . . . . . . . . 10 . HA parsed_6ber 1
188 1 2 . . . . . . . . . 10 . HG# parsed_6ber 1
189 1 1 . . . . . . . . . 10 . HB2 parsed_6ber 1
189 1 2 . . . . . . . . . 1 . HN parsed_6ber 1
190 1 1 . . . . . . . . . 10 . HB2 parsed_6ber 1
190 1 2 . . . . . . . . . 10 . HD2 parsed_6ber 1
191 1 1 . . . . . . . . . 10 . HB2 parsed_6ber 1
191 1 2 . . . . . . . . . 10 . HD1 parsed_6ber 1
192 1 1 . . . . . . . . . 10 . HD2 parsed_6ber 1
192 1 2 . . . . . . . . . 9 . HA parsed_6ber 1
193 1 1 . . . . . . . . . 10 . HD2 parsed_6ber 1
193 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
194 1 1 . . . . . . . . . 10 . HD2 parsed_6ber 1
194 1 2 . . . . . . . . . 10 . HA parsed_6ber 1
195 1 1 . . . . . . . . . 10 . HD2 parsed_6ber 1
195 1 2 . . . . . . . . . 10 . HB2 parsed_6ber 1
196 1 1 . . . . . . . . . 10 . HD2 parsed_6ber 1
196 1 2 . . . . . . . . . 10 . HB1 parsed_6ber 1
197 1 1 . . . . . . . . . 10 . HD1 parsed_6ber 1
197 1 2 . . . . . . . . . 9 . HA parsed_6ber 1
198 1 1 . . . . . . . . . 10 . HD1 parsed_6ber 1
198 1 2 . . . . . . . . . 9 . HN parsed_6ber 1
199 1 1 . . . . . . . . . 10 . HD1 parsed_6ber 1
199 1 2 . . . . . . . . . 10 . HA parsed_6ber 1
200 1 1 . . . . . . . . . 10 . HD1 parsed_6ber 1
200 1 2 . . . . . . . . . 10 . HB2 parsed_6ber 1
201 1 1 . . . . . . . . . 10 . HG# parsed_6ber 1
201 1 2 . . . . . . . . . 9 . HA parsed_6ber 1
202 1 1 . . . . . . . . . 10 . HG# parsed_6ber 1
202 1 2 . . . . . . . . . 9 . HN parsed_6ber 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_6ber 1
2 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
3 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
4 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
5 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
6 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
7 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
8 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
9 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
10 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
11 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
12 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
13 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
14 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
15 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
16 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
17 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
18 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
19 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
20 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
21 1 . . . . . 2.5 2.1 2.9 parsed_6ber 1
22 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
23 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
24 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
25 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
26 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
27 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
28 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
29 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
30 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
31 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
32 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
33 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
34 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
35 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
36 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
37 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
38 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
39 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
40 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
41 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
42 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
43 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
44 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
45 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
46 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
47 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
48 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
49 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
50 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
51 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
52 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
53 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
54 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
55 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
56 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
57 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
58 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
59 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
60 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
61 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
62 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
63 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
64 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
65 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
66 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
67 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
68 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
69 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
70 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
71 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
72 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
73 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
74 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
75 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
76 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
77 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
78 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
79 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
80 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
81 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
82 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
83 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
84 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
85 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
86 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
87 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
88 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
89 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
90 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
91 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
92 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
93 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
94 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
95 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
96 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
97 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
98 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
99 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
100 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
101 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
102 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
103 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
104 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
105 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
106 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
107 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
108 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
109 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
110 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
111 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
112 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
113 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
114 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
115 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
116 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
117 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
118 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
119 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
120 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
121 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
122 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
123 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
124 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
125 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
126 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
127 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
128 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
129 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
130 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
131 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
132 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
133 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
134 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
135 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
136 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
137 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
138 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
139 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
140 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
141 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
142 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
143 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
144 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
145 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
146 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
147 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
148 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
149 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
150 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
151 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
152 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
153 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
154 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
155 1 . . . . . 2.5 1.8 3.2 parsed_6ber 1
156 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
157 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
158 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
159 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
160 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
161 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
162 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
163 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
164 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
165 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
166 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
167 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
168 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
169 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
170 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
171 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
172 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
173 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
174 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
175 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
176 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
177 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
178 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
179 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
180 1 . . . . . 5.0 3.0 7.0 parsed_6ber 1
181 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
182 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
183 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
184 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
185 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
186 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
187 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
188 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
189 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
190 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
191 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
192 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
193 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
194 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
195 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
196 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
197 1 . . . . . 3.5 2.3 4.7 parsed_6ber 1
198 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
199 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
200 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
201 1 . . . . . 4.5 2.9 6.1 parsed_6ber 1
202 1 . . . . . 4.5 2.9 6.1 parsed_6ber 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 Marie peptide !
Updated 060817 mds
Marie, 10mer GLU val ASP PRO glu his pro ASN ala 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 = 186
long range (j-i >6) = 7
short range (2 > j-i < 5) = 34
sequential (i to j) = 86
intraresidue (i to i) = 59
------------------------------------------------------------------------!
! BACKBONE !!
! HA-HN !!
;
3 1 26 12 parsed_6ber 1
2 "assign ( resid 5 and name HA ) ( resid 3 and name HN ) 4.5 1.6 1.6 !real peak in nmr, most concerened about.. (misassigned?) violated in design too far" 35 1 35 161 parsed_6ber 1
3 "assign ( resid 9 and name HA ) ( resid 1 and name HN ) 4.5 1.6 1.6 ! not violated in desig but not real in NMR very weak" 47 1 47 130 parsed_6ber 1
4
;
maybe shoul d be strong peak, the intensity is 1E^9
assign ( resid 10 and name HA ) ( resid 2 and name HN ) 4.5 1.6 1.6
! HN-HN !!
;
49 75 55 12 parsed_6ber 1
5 "! HA-HA !!" 64 1 64 12 parsed_6ber 1
6 "assign ( resid 1 and name HB2 ) ( resid 10 and name HA ) 4.5 1.6 1.6 !too broad and weak, maybe dynamic?" 74 1 74 113 parsed_6ber 1
7
;
peak is real and maybe should be set to medium too close in design
assign ( resid 1 and name HG# ) ( resid 2 and name HA ) 4.5 1.6 1.6 ! broad and weak at 500ms maybe dynamic? or diffusion!
;
77 75 78 130 parsed_6ber 1
8
;
assign ( resid 1 and name HG# ) ( resid 3 and name HN ) 4.5 1.6 1.6 ! broad and weak at 500ms maybe dynamic? or diffusion?
assign ( resid 1 and name HG# ) ( resid 10 and name HA ) 4.5 1.6 1.6 !too broad and weak, maybe dynamic?
;
80 1 81 112 parsed_6ber 1
9 "missed at first, overlapped with a9/p10 weak peak, too close in design" 92 75 92 146 parsed_6ber 1
10 "assign ( resid 2 and name HG* ) ( resid 1 and name HN ) 4.5 1.6 1.6 ! not violated in design but weak peak, maybe spin diffusion" 97 1 97 137 parsed_6ber 1
11 "weak real peak under T1 ridge, violated in desgin too close" 106 76 106 137 parsed_6ber 1
12 "assign ( resid 3 and name HB2 ) ( resid 2 and name HA ) 4.5 1.6 1.6 !very weak peak @500ms violated in design too far" 113 1 113 126 parsed_6ber 1
13 "assign ( resid 3 and name HB1 ) ( resid 10 and name HA ) 4.5 1.6 1.6 ! not even close to being a real peak..." 128 1 128 116 parsed_6ber 1
14
;
assign ( resid 4 and name HB2 ) ( resid 8 and name HN ) 4.5 1.6 1.6
assign ( resid 4 and name HB2 ) ( resid 9 and name HN ) 4.5 1.6 1.6
;
139 1 140 75 parsed_6ber 1
15 "assign ( resid 4 and name HD2 ) ( resid 2 and name HN ) 4.5 1.6 1.6" 145 1 145 75 parsed_6ber 1
16 "assign ( resid 4 and name HD1 ) ( resid 2 and name HN ) 4.5 1.6 1.6" 153 1 153 75 parsed_6ber 1
17 "assign ( resid 5 and name HG# ) ( resid 1 and name HA ) 4.5 1.6 1.6" 172 1 172 75 parsed_6ber 1
18 "assign ( resid 6 and name HD2 ) ( resid 9 and name HN ) 4.5 1.6 1.6 !weak peak @500ms, violated on design to far" 193 1 193 120 parsed_6ber 1
19 "real peak, under water, violated in design too close" 205 75 205 129 parsed_6ber 1
20 "real peak, under water, violated in design too close" 216 75 216 129 parsed_6ber 1
21 "assign ( resid 7 and name HD1 ) ( resid 7 and name HG1 ) 4.5 1.6 1.6" 224 1 224 75 parsed_6ber 1
22 "assign ( resid 8 and name HA ) ( resid 6 and name HD2 ) 4.5 1.6 1.6" 231 1 231 75 parsed_6ber 1
23 "assign ( resid 9 and name HB# ) ( resid 1 and name HN ) 4.5 1.6 1.6 ! not violated in design but not real in NMR very weak" 253 1 253 130 parsed_6ber 1
24 "of all the side chain proline to 1HN this is only real peak besides ha" 271 77 271 149 parsed_6ber 1
25 "assign ( resid 10 and name HD2 ) ( resid 1 and name HN ) 4.5 1.6 1.6 ! did not find real peak, looks like noise?" 274 1 274 120 parsed_6ber 1
26 "assign ( resid 10 and name HG# ) ( resid 1 and name HN ) 4.5 1.6 1.6 ! broad and weak, also overlap" 284 1 284 106 parsed_6ber 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: marie_noe_.tbl" 1 1 1 35 parsed_6ber 1
2 ~ 287 1 287 1 parsed_6ber 1
stop_
save_