NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
29601 |
1b4c   |
4001 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 176 |
data_1b4c_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1b4c
_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_1b4c 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1b4c
_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 1b4c "Master copy" parsed_1b4c
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1b4c
_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 1b4c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1b4c 1
1 1b4c.mr . . XPLOR/CNS 2 distance NOE ambi 1780 parsed_1b4c 1
1 1b4c.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 340 parsed_1b4c 1
1 1b4c.mr . . XPLOR/CNS 4 distance symmetry simple 0 parsed_1b4c 1
1 1b4c.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 176 parsed_1b4c 1
1 1b4c.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1b4c 1
1 1b4c.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1b4c 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1b4c
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1b4c 1
2 1 . . . parsed_1b4c 1
3 1 . . . parsed_1b4c 1
4 1 . . . parsed_1b4c 1
5 1 . . . parsed_1b4c 1
6 1 . . . parsed_1b4c 1
7 1 . . . parsed_1b4c 1
8 1 . . . parsed_1b4c 1
9 1 . . . parsed_1b4c 1
10 1 . . . parsed_1b4c 1
11 1 . . . parsed_1b4c 1
12 1 . . . parsed_1b4c 1
13 1 . . . parsed_1b4c 1
14 1 . . . parsed_1b4c 1
15 1 . . . parsed_1b4c 1
16 1 . . . parsed_1b4c 1
17 1 . . . parsed_1b4c 1
18 1 . . . parsed_1b4c 1
19 1 . . . parsed_1b4c 1
20 1 . . . parsed_1b4c 1
21 1 . . . parsed_1b4c 1
22 1 . . . parsed_1b4c 1
23 1 . . . parsed_1b4c 1
24 1 . . . parsed_1b4c 1
25 1 . . . parsed_1b4c 1
26 1 . . . parsed_1b4c 1
27 1 . . . parsed_1b4c 1
28 1 . . . parsed_1b4c 1
29 1 . . . parsed_1b4c 1
30 1 . . . parsed_1b4c 1
31 1 . . . parsed_1b4c 1
32 1 . . . parsed_1b4c 1
33 1 . . . parsed_1b4c 1
34 1 . . . parsed_1b4c 1
35 1 . . . parsed_1b4c 1
36 1 . . . parsed_1b4c 1
37 1 . . . parsed_1b4c 1
38 1 . . . parsed_1b4c 1
39 1 . . . parsed_1b4c 1
40 1 . . . parsed_1b4c 1
41 1 . . . parsed_1b4c 1
42 1 . . . parsed_1b4c 1
43 1 . . . parsed_1b4c 1
44 1 . . . parsed_1b4c 1
45 1 . . . parsed_1b4c 1
46 1 . . . parsed_1b4c 1
47 1 . . . parsed_1b4c 1
48 1 . . . parsed_1b4c 1
49 1 . . . parsed_1b4c 1
50 1 . . . parsed_1b4c 1
51 1 . . . parsed_1b4c 1
52 1 . . . parsed_1b4c 1
53 1 . . . parsed_1b4c 1
54 1 . . . parsed_1b4c 1
55 1 . . . parsed_1b4c 1
56 1 . . . parsed_1b4c 1
57 1 . . . parsed_1b4c 1
58 1 . . . parsed_1b4c 1
59 1 . . . parsed_1b4c 1
60 1 . . . parsed_1b4c 1
61 1 . . . parsed_1b4c 1
62 1 . . . parsed_1b4c 1
63 1 . . . parsed_1b4c 1
64 1 . . . parsed_1b4c 1
65 1 . . . parsed_1b4c 1
66 1 . . . parsed_1b4c 1
67 1 . . . parsed_1b4c 1
68 1 . . . parsed_1b4c 1
69 1 . . . parsed_1b4c 1
70 1 . . . parsed_1b4c 1
71 1 . . . parsed_1b4c 1
72 1 . . . parsed_1b4c 1
73 1 . . . parsed_1b4c 1
74 1 . . . parsed_1b4c 1
75 1 . . . parsed_1b4c 1
76 1 . . . parsed_1b4c 1
77 1 . . . parsed_1b4c 1
78 1 . . . parsed_1b4c 1
79 1 . . . parsed_1b4c 1
80 1 . . . parsed_1b4c 1
81 1 . . . parsed_1b4c 1
82 1 . . . parsed_1b4c 1
83 1 . . . parsed_1b4c 1
84 1 . . . parsed_1b4c 1
85 1 . . . parsed_1b4c 1
86 1 . . . parsed_1b4c 1
87 1 . . . parsed_1b4c 1
88 1 . . . parsed_1b4c 1
89 1 . . . parsed_1b4c 1
90 1 . . . parsed_1b4c 1
91 1 . . . parsed_1b4c 1
92 1 . . . parsed_1b4c 1
93 1 . . . parsed_1b4c 1
94 1 . . . parsed_1b4c 1
95 1 . . . parsed_1b4c 1
96 1 . . . parsed_1b4c 1
97 1 . . . parsed_1b4c 1
98 1 . . . parsed_1b4c 1
99 1 . . . parsed_1b4c 1
100 1 . . . parsed_1b4c 1
101 1 . . . parsed_1b4c 1
102 1 . . . parsed_1b4c 1
103 1 . . . parsed_1b4c 1
104 1 . . . parsed_1b4c 1
105 1 . . . parsed_1b4c 1
106 1 . . . parsed_1b4c 1
107 1 . . . parsed_1b4c 1
108 1 . . . parsed_1b4c 1
109 1 . . . parsed_1b4c 1
110 1 . . . parsed_1b4c 1
111 1 . . . parsed_1b4c 1
112 1 . . . parsed_1b4c 1
113 1 . . . parsed_1b4c 1
114 1 . . . parsed_1b4c 1
115 1 . . . parsed_1b4c 1
116 1 . . . parsed_1b4c 1
117 1 . . . parsed_1b4c 1
118 1 . . . parsed_1b4c 1
119 1 . . . parsed_1b4c 1
120 1 . . . parsed_1b4c 1
121 1 . . . parsed_1b4c 1
122 1 . . . parsed_1b4c 1
123 1 . . . parsed_1b4c 1
124 1 . . . parsed_1b4c 1
125 1 . . . parsed_1b4c 1
126 1 . . . parsed_1b4c 1
127 1 . . . parsed_1b4c 1
128 1 . . . parsed_1b4c 1
129 1 . . . parsed_1b4c 1
130 1 . . . parsed_1b4c 1
131 1 . . . parsed_1b4c 1
132 1 . . . parsed_1b4c 1
133 1 . . . parsed_1b4c 1
134 1 . . . parsed_1b4c 1
135 1 . . . parsed_1b4c 1
136 1 . . . parsed_1b4c 1
137 1 . . . parsed_1b4c 1
138 1 . . . parsed_1b4c 1
139 1 . . . parsed_1b4c 1
140 1 . . . parsed_1b4c 1
141 1 . . . parsed_1b4c 1
142 1 . . . parsed_1b4c 1
143 1 . . . parsed_1b4c 1
144 1 . . . parsed_1b4c 1
145 1 . . . parsed_1b4c 1
146 1 . . . parsed_1b4c 1
147 1 . . . parsed_1b4c 1
148 1 . . . parsed_1b4c 1
149 1 . . . parsed_1b4c 1
150 1 . . . parsed_1b4c 1
151 1 . . . parsed_1b4c 1
152 1 . . . parsed_1b4c 1
153 1 . . . parsed_1b4c 1
154 1 . . . parsed_1b4c 1
155 1 . . . parsed_1b4c 1
156 1 . . . parsed_1b4c 1
157 1 . . . parsed_1b4c 1
158 1 . . . parsed_1b4c 1
159 1 . . . parsed_1b4c 1
160 1 . . . parsed_1b4c 1
161 1 . . . parsed_1b4c 1
162 1 . . . parsed_1b4c 1
163 1 . . . parsed_1b4c 1
164 1 . . . parsed_1b4c 1
165 1 . . . parsed_1b4c 1
166 1 . . . parsed_1b4c 1
167 1 . . . parsed_1b4c 1
168 1 . . . parsed_1b4c 1
169 1 . . . parsed_1b4c 1
170 1 . . . parsed_1b4c 1
171 1 . . . parsed_1b4c 1
172 1 . . . parsed_1b4c 1
173 1 . . . parsed_1b4c 1
174 1 . . . parsed_1b4c 1
175 1 . . . parsed_1b4c 1
176 1 . . . parsed_1b4c 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 . . . . . . . . sbm1 1 . o parsed_1b4c 1
1 1 2 . . . . . . . . sbm1 5 . hn parsed_1b4c 1
2 1 1 . . . . . . . . sbm2 1 . o parsed_1b4c 1
2 1 2 . . . . . . . . sbm2 5 . hn parsed_1b4c 1
3 1 1 . . . . . . . . sbm1 1 . o parsed_1b4c 1
3 1 2 . . . . . . . . sbm1 5 . n parsed_1b4c 1
4 1 1 . . . . . . . . sbm2 1 . o parsed_1b4c 1
4 1 2 . . . . . . . . sbm2 5 . n parsed_1b4c 1
5 1 1 . . . . . . . . sbm1 2 . o parsed_1b4c 1
5 1 2 . . . . . . . . sbm1 6 . hn parsed_1b4c 1
6 1 1 . . . . . . . . sbm2 2 . o parsed_1b4c 1
6 1 2 . . . . . . . . sbm2 6 . hn parsed_1b4c 1
7 1 1 . . . . . . . . sbm1 2 . o parsed_1b4c 1
7 1 2 . . . . . . . . sbm1 6 . n parsed_1b4c 1
8 1 1 . . . . . . . . sbm2 2 . o parsed_1b4c 1
8 1 2 . . . . . . . . sbm2 6 . n parsed_1b4c 1
9 1 1 . . . . . . . . sbm1 3 . o parsed_1b4c 1
9 1 2 . . . . . . . . sbm1 7 . hn parsed_1b4c 1
10 1 1 . . . . . . . . sbm2 3 . o parsed_1b4c 1
10 1 2 . . . . . . . . sbm2 7 . hn parsed_1b4c 1
11 1 1 . . . . . . . . sbm1 3 . o parsed_1b4c 1
11 1 2 . . . . . . . . sbm1 7 . n parsed_1b4c 1
12 1 1 . . . . . . . . sbm2 3 . o parsed_1b4c 1
12 1 2 . . . . . . . . sbm2 7 . n parsed_1b4c 1
13 1 1 . . . . . . . . sbm1 4 . o parsed_1b4c 1
13 1 2 . . . . . . . . sbm1 8 . hn parsed_1b4c 1
14 1 1 . . . . . . . . sbm2 4 . o parsed_1b4c 1
14 1 2 . . . . . . . . sbm2 8 . hn parsed_1b4c 1
15 1 1 . . . . . . . . sbm1 4 . o parsed_1b4c 1
15 1 2 . . . . . . . . sbm1 8 . n parsed_1b4c 1
16 1 1 . . . . . . . . sbm2 4 . o parsed_1b4c 1
16 1 2 . . . . . . . . sbm2 8 . n parsed_1b4c 1
17 1 1 . . . . . . . . sbm1 5 . o parsed_1b4c 1
17 1 2 . . . . . . . . sbm1 9 . hn parsed_1b4c 1
18 1 1 . . . . . . . . sbm2 5 . o parsed_1b4c 1
18 1 2 . . . . . . . . sbm2 9 . hn parsed_1b4c 1
19 1 1 . . . . . . . . sbm1 5 . o parsed_1b4c 1
19 1 2 . . . . . . . . sbm1 9 . n parsed_1b4c 1
20 1 1 . . . . . . . . sbm2 5 . o parsed_1b4c 1
20 1 2 . . . . . . . . sbm2 9 . n parsed_1b4c 1
21 1 1 . . . . . . . . sbm1 6 . o parsed_1b4c 1
21 1 2 . . . . . . . . sbm1 10 . hn parsed_1b4c 1
22 1 1 . . . . . . . . sbm2 6 . o parsed_1b4c 1
22 1 2 . . . . . . . . sbm2 10 . hn parsed_1b4c 1
23 1 1 . . . . . . . . sbm1 6 . o parsed_1b4c 1
23 1 2 . . . . . . . . sbm1 10 . n parsed_1b4c 1
24 1 1 . . . . . . . . sbm2 6 . o parsed_1b4c 1
24 1 2 . . . . . . . . sbm2 10 . n parsed_1b4c 1
25 1 1 . . . . . . . . sbm1 7 . o parsed_1b4c 1
25 1 2 . . . . . . . . sbm1 11 . hn parsed_1b4c 1
26 1 1 . . . . . . . . sbm2 7 . o parsed_1b4c 1
26 1 2 . . . . . . . . sbm2 11 . hn parsed_1b4c 1
27 1 1 . . . . . . . . sbm1 7 . o parsed_1b4c 1
27 1 2 . . . . . . . . sbm1 11 . n parsed_1b4c 1
28 1 1 . . . . . . . . sbm2 7 . o parsed_1b4c 1
28 1 2 . . . . . . . . sbm2 11 . n parsed_1b4c 1
29 1 1 . . . . . . . . sbm1 8 . o parsed_1b4c 1
29 1 2 . . . . . . . . sbm1 12 . hn parsed_1b4c 1
30 1 1 . . . . . . . . sbm2 8 . o parsed_1b4c 1
30 1 2 . . . . . . . . sbm2 12 . hn parsed_1b4c 1
31 1 1 . . . . . . . . sbm1 8 . o parsed_1b4c 1
31 1 2 . . . . . . . . sbm1 12 . n parsed_1b4c 1
32 1 1 . . . . . . . . sbm2 8 . o parsed_1b4c 1
32 1 2 . . . . . . . . sbm2 12 . n parsed_1b4c 1
33 1 1 . . . . . . . . sbm1 9 . o parsed_1b4c 1
33 1 2 . . . . . . . . sbm1 13 . hn parsed_1b4c 1
34 1 1 . . . . . . . . sbm2 9 . o parsed_1b4c 1
34 1 2 . . . . . . . . sbm2 13 . hn parsed_1b4c 1
35 1 1 . . . . . . . . sbm1 9 . o parsed_1b4c 1
35 1 2 . . . . . . . . sbm1 13 . n parsed_1b4c 1
36 1 1 . . . . . . . . sbm2 9 . o parsed_1b4c 1
36 1 2 . . . . . . . . sbm2 13 . n parsed_1b4c 1
37 1 1 . . . . . . . . sbm1 10 . o parsed_1b4c 1
37 1 2 . . . . . . . . sbm1 14 . hn parsed_1b4c 1
38 1 1 . . . . . . . . sbm2 10 . o parsed_1b4c 1
38 1 2 . . . . . . . . sbm2 14 . hn parsed_1b4c 1
39 1 1 . . . . . . . . sbm1 10 . o parsed_1b4c 1
39 1 2 . . . . . . . . sbm1 14 . n parsed_1b4c 1
40 1 1 . . . . . . . . sbm2 10 . o parsed_1b4c 1
40 1 2 . . . . . . . . sbm2 14 . n parsed_1b4c 1
41 1 1 . . . . . . . . sbm1 11 . o parsed_1b4c 1
41 1 2 . . . . . . . . sbm1 15 . hn parsed_1b4c 1
42 1 1 . . . . . . . . sbm2 11 . o parsed_1b4c 1
42 1 2 . . . . . . . . sbm2 15 . hn parsed_1b4c 1
43 1 1 . . . . . . . . sbm1 11 . o parsed_1b4c 1
43 1 2 . . . . . . . . sbm1 15 . n parsed_1b4c 1
44 1 1 . . . . . . . . sbm2 11 . o parsed_1b4c 1
44 1 2 . . . . . . . . sbm2 15 . n parsed_1b4c 1
45 1 1 . . . . . . . . sbm1 12 . o parsed_1b4c 1
45 1 2 . . . . . . . . sbm1 16 . hn parsed_1b4c 1
46 1 1 . . . . . . . . sbm2 12 . o parsed_1b4c 1
46 1 2 . . . . . . . . sbm2 16 . hn parsed_1b4c 1
47 1 1 . . . . . . . . sbm1 12 . o parsed_1b4c 1
47 1 2 . . . . . . . . sbm1 16 . n parsed_1b4c 1
48 1 1 . . . . . . . . sbm2 12 . o parsed_1b4c 1
48 1 2 . . . . . . . . sbm2 16 . n parsed_1b4c 1
49 1 1 . . . . . . . . sbm1 13 . o parsed_1b4c 1
49 1 2 . . . . . . . . sbm1 17 . hn parsed_1b4c 1
50 1 1 . . . . . . . . sbm2 13 . o parsed_1b4c 1
50 1 2 . . . . . . . . sbm2 17 . hn parsed_1b4c 1
51 1 1 . . . . . . . . sbm1 13 . o parsed_1b4c 1
51 1 2 . . . . . . . . sbm1 17 . n parsed_1b4c 1
52 1 1 . . . . . . . . sbm2 13 . o parsed_1b4c 1
52 1 2 . . . . . . . . sbm2 17 . n parsed_1b4c 1
53 1 1 . . . . . . . . sbm1 14 . o parsed_1b4c 1
53 1 2 . . . . . . . . sbm1 18 . hn parsed_1b4c 1
54 1 1 . . . . . . . . sbm2 14 . o parsed_1b4c 1
54 1 2 . . . . . . . . sbm2 18 . hn parsed_1b4c 1
55 1 1 . . . . . . . . sbm1 14 . o parsed_1b4c 1
55 1 2 . . . . . . . . sbm1 18 . n parsed_1b4c 1
56 1 1 . . . . . . . . sbm2 14 . o parsed_1b4c 1
56 1 2 . . . . . . . . sbm2 18 . n parsed_1b4c 1
57 1 1 . . . . . . . . sbm1 27 . o parsed_1b4c 1
57 1 2 . . . . . . . . sbm1 68 . hn parsed_1b4c 1
58 1 1 . . . . . . . . sbm2 27 . o parsed_1b4c 1
58 1 2 . . . . . . . . sbm2 68 . hn parsed_1b4c 1
59 1 1 . . . . . . . . sbm1 27 . o parsed_1b4c 1
59 1 2 . . . . . . . . sbm1 68 . n parsed_1b4c 1
60 1 1 . . . . . . . . sbm2 27 . o parsed_1b4c 1
60 1 2 . . . . . . . . sbm2 68 . n parsed_1b4c 1
61 1 1 . . . . . . . . sbm1 68 . o parsed_1b4c 1
61 1 2 . . . . . . . . sbm1 27 . hn parsed_1b4c 1
62 1 1 . . . . . . . . sbm2 68 . o parsed_1b4c 1
62 1 2 . . . . . . . . sbm2 27 . hn parsed_1b4c 1
63 1 1 . . . . . . . . sbm1 68 . o parsed_1b4c 1
63 1 2 . . . . . . . . sbm1 27 . n parsed_1b4c 1
64 1 1 . . . . . . . . sbm2 68 . o parsed_1b4c 1
64 1 2 . . . . . . . . sbm2 27 . n parsed_1b4c 1
65 1 1 . . . . . . . . sbm1 28 . o parsed_1b4c 1
65 1 2 . . . . . . . . sbm1 32 . hn parsed_1b4c 1
66 1 1 . . . . . . . . sbm2 28 . o parsed_1b4c 1
66 1 2 . . . . . . . . sbm2 32 . hn parsed_1b4c 1
67 1 1 . . . . . . . . sbm1 28 . o parsed_1b4c 1
67 1 2 . . . . . . . . sbm1 32 . n parsed_1b4c 1
68 1 1 . . . . . . . . sbm2 28 . o parsed_1b4c 1
68 1 2 . . . . . . . . sbm2 32 . n parsed_1b4c 1
69 1 1 . . . . . . . . sbm1 29 . o parsed_1b4c 1
69 1 2 . . . . . . . . sbm1 33 . hn parsed_1b4c 1
70 1 1 . . . . . . . . sbm2 29 . o parsed_1b4c 1
70 1 2 . . . . . . . . sbm2 33 . hn parsed_1b4c 1
71 1 1 . . . . . . . . sbm1 29 . o parsed_1b4c 1
71 1 2 . . . . . . . . sbm1 33 . n parsed_1b4c 1
72 1 1 . . . . . . . . sbm2 29 . o parsed_1b4c 1
72 1 2 . . . . . . . . sbm2 33 . n parsed_1b4c 1
73 1 1 . . . . . . . . sbm1 30 . o parsed_1b4c 1
73 1 2 . . . . . . . . sbm1 34 . hn parsed_1b4c 1
74 1 1 . . . . . . . . sbm2 30 . o parsed_1b4c 1
74 1 2 . . . . . . . . sbm2 34 . hn parsed_1b4c 1
75 1 1 . . . . . . . . sbm1 30 . o parsed_1b4c 1
75 1 2 . . . . . . . . sbm1 34 . n parsed_1b4c 1
76 1 1 . . . . . . . . sbm2 30 . o parsed_1b4c 1
76 1 2 . . . . . . . . sbm2 34 . n parsed_1b4c 1
77 1 1 . . . . . . . . sbm1 31 . o parsed_1b4c 1
77 1 2 . . . . . . . . sbm1 35 . hn parsed_1b4c 1
78 1 1 . . . . . . . . sbm2 31 . o parsed_1b4c 1
78 1 2 . . . . . . . . sbm2 35 . hn parsed_1b4c 1
79 1 1 . . . . . . . . sbm1 31 . o parsed_1b4c 1
79 1 2 . . . . . . . . sbm1 35 . n parsed_1b4c 1
80 1 1 . . . . . . . . sbm2 31 . o parsed_1b4c 1
80 1 2 . . . . . . . . sbm2 35 . n parsed_1b4c 1
81 1 1 . . . . . . . . sbm1 32 . o parsed_1b4c 1
81 1 2 . . . . . . . . sbm1 36 . hn parsed_1b4c 1
82 1 1 . . . . . . . . sbm2 32 . o parsed_1b4c 1
82 1 2 . . . . . . . . sbm2 36 . hn parsed_1b4c 1
83 1 1 . . . . . . . . sbm1 32 . o parsed_1b4c 1
83 1 2 . . . . . . . . sbm1 36 . n parsed_1b4c 1
84 1 1 . . . . . . . . sbm2 32 . o parsed_1b4c 1
84 1 2 . . . . . . . . sbm2 36 . n parsed_1b4c 1
85 1 1 . . . . . . . . sbm1 33 . o parsed_1b4c 1
85 1 2 . . . . . . . . sbm1 37 . hn parsed_1b4c 1
86 1 1 . . . . . . . . sbm2 33 . o parsed_1b4c 1
86 1 2 . . . . . . . . sbm2 37 . hn parsed_1b4c 1
87 1 1 . . . . . . . . sbm1 33 . o parsed_1b4c 1
87 1 2 . . . . . . . . sbm1 37 . n parsed_1b4c 1
88 1 1 . . . . . . . . sbm2 33 . o parsed_1b4c 1
88 1 2 . . . . . . . . sbm2 37 . n parsed_1b4c 1
89 1 1 . . . . . . . . sbm1 34 . o parsed_1b4c 1
89 1 2 . . . . . . . . sbm1 38 . hn parsed_1b4c 1
90 1 1 . . . . . . . . sbm2 34 . o parsed_1b4c 1
90 1 2 . . . . . . . . sbm2 38 . hn parsed_1b4c 1
91 1 1 . . . . . . . . sbm1 34 . o parsed_1b4c 1
91 1 2 . . . . . . . . sbm1 38 . n parsed_1b4c 1
92 1 1 . . . . . . . . sbm2 34 . o parsed_1b4c 1
92 1 2 . . . . . . . . sbm2 38 . n parsed_1b4c 1
93 1 1 . . . . . . . . sbm1 50 . o parsed_1b4c 1
93 1 2 . . . . . . . . sbm1 54 . hn parsed_1b4c 1
94 1 1 . . . . . . . . sbm2 50 . o parsed_1b4c 1
94 1 2 . . . . . . . . sbm2 54 . hn parsed_1b4c 1
95 1 1 . . . . . . . . sbm1 50 . o parsed_1b4c 1
95 1 2 . . . . . . . . sbm1 54 . n parsed_1b4c 1
96 1 1 . . . . . . . . sbm2 50 . o parsed_1b4c 1
96 1 2 . . . . . . . . sbm2 54 . n parsed_1b4c 1
97 1 1 . . . . . . . . sbm1 51 . o parsed_1b4c 1
97 1 2 . . . . . . . . sbm1 55 . hn parsed_1b4c 1
98 1 1 . . . . . . . . sbm2 51 . o parsed_1b4c 1
98 1 2 . . . . . . . . sbm2 55 . hn parsed_1b4c 1
99 1 1 . . . . . . . . sbm1 51 . o parsed_1b4c 1
99 1 2 . . . . . . . . sbm1 55 . n parsed_1b4c 1
100 1 1 . . . . . . . . sbm2 51 . o parsed_1b4c 1
100 1 2 . . . . . . . . sbm2 55 . n parsed_1b4c 1
101 1 1 . . . . . . . . sbm1 52 . o parsed_1b4c 1
101 1 2 . . . . . . . . sbm1 56 . hn parsed_1b4c 1
102 1 1 . . . . . . . . sbm2 52 . o parsed_1b4c 1
102 1 2 . . . . . . . . sbm2 56 . hn parsed_1b4c 1
103 1 1 . . . . . . . . sbm1 52 . o parsed_1b4c 1
103 1 2 . . . . . . . . sbm1 56 . n parsed_1b4c 1
104 1 1 . . . . . . . . sbm2 52 . o parsed_1b4c 1
104 1 2 . . . . . . . . sbm2 56 . n parsed_1b4c 1
105 1 1 . . . . . . . . sbm1 53 . o parsed_1b4c 1
105 1 2 . . . . . . . . sbm1 57 . hn parsed_1b4c 1
106 1 1 . . . . . . . . sbm2 53 . o parsed_1b4c 1
106 1 2 . . . . . . . . sbm2 57 . hn parsed_1b4c 1
107 1 1 . . . . . . . . sbm1 53 . o parsed_1b4c 1
107 1 2 . . . . . . . . sbm1 57 . n parsed_1b4c 1
108 1 1 . . . . . . . . sbm2 53 . o parsed_1b4c 1
108 1 2 . . . . . . . . sbm2 57 . n parsed_1b4c 1
109 1 1 . . . . . . . . sbm1 54 . o parsed_1b4c 1
109 1 2 . . . . . . . . sbm1 58 . hn parsed_1b4c 1
110 1 1 . . . . . . . . sbm2 54 . o parsed_1b4c 1
110 1 2 . . . . . . . . sbm2 58 . hn parsed_1b4c 1
111 1 1 . . . . . . . . sbm1 54 . o parsed_1b4c 1
111 1 2 . . . . . . . . sbm1 58 . n parsed_1b4c 1
112 1 1 . . . . . . . . sbm2 54 . o parsed_1b4c 1
112 1 2 . . . . . . . . sbm2 58 . n parsed_1b4c 1
113 1 1 . . . . . . . . sbm1 55 . o parsed_1b4c 1
113 1 2 . . . . . . . . sbm1 59 . hn parsed_1b4c 1
114 1 1 . . . . . . . . sbm2 55 . o parsed_1b4c 1
114 1 2 . . . . . . . . sbm2 59 . hn parsed_1b4c 1
115 1 1 . . . . . . . . sbm1 55 . o parsed_1b4c 1
115 1 2 . . . . . . . . sbm1 59 . n parsed_1b4c 1
116 1 1 . . . . . . . . sbm2 55 . o parsed_1b4c 1
116 1 2 . . . . . . . . sbm2 59 . n parsed_1b4c 1
117 1 1 . . . . . . . . sbm1 56 . o parsed_1b4c 1
117 1 2 . . . . . . . . sbm1 60 . hn parsed_1b4c 1
118 1 1 . . . . . . . . sbm2 56 . o parsed_1b4c 1
118 1 2 . . . . . . . . sbm2 60 . hn parsed_1b4c 1
119 1 1 . . . . . . . . sbm1 56 . o parsed_1b4c 1
119 1 2 . . . . . . . . sbm1 60 . n parsed_1b4c 1
120 1 1 . . . . . . . . sbm2 56 . o parsed_1b4c 1
120 1 2 . . . . . . . . sbm2 60 . n parsed_1b4c 1
121 1 1 . . . . . . . . sbm1 57 . o parsed_1b4c 1
121 1 2 . . . . . . . . sbm1 61 . hn parsed_1b4c 1
122 1 1 . . . . . . . . sbm2 57 . o parsed_1b4c 1
122 1 2 . . . . . . . . sbm2 61 . hn parsed_1b4c 1
123 1 1 . . . . . . . . sbm1 57 . o parsed_1b4c 1
123 1 2 . . . . . . . . sbm1 61 . n parsed_1b4c 1
124 1 1 . . . . . . . . sbm2 57 . o parsed_1b4c 1
124 1 2 . . . . . . . . sbm2 61 . n parsed_1b4c 1
125 1 1 . . . . . . . . sbm1 58 . o parsed_1b4c 1
125 1 2 . . . . . . . . sbm1 62 . hn parsed_1b4c 1
126 1 1 . . . . . . . . sbm2 58 . o parsed_1b4c 1
126 1 2 . . . . . . . . sbm2 62 . hn parsed_1b4c 1
127 1 1 . . . . . . . . sbm1 58 . o parsed_1b4c 1
127 1 2 . . . . . . . . sbm1 62 . n parsed_1b4c 1
128 1 1 . . . . . . . . sbm2 58 . o parsed_1b4c 1
128 1 2 . . . . . . . . sbm2 62 . n parsed_1b4c 1
129 1 1 . . . . . . . . sbm1 70 . o parsed_1b4c 1
129 1 2 . . . . . . . . sbm1 74 . hn parsed_1b4c 1
130 1 1 . . . . . . . . sbm2 70 . o parsed_1b4c 1
130 1 2 . . . . . . . . sbm2 74 . hn parsed_1b4c 1
131 1 1 . . . . . . . . sbm1 70 . o parsed_1b4c 1
131 1 2 . . . . . . . . sbm1 74 . n parsed_1b4c 1
132 1 1 . . . . . . . . sbm2 70 . o parsed_1b4c 1
132 1 2 . . . . . . . . sbm2 74 . n parsed_1b4c 1
133 1 1 . . . . . . . . sbm1 71 . o parsed_1b4c 1
133 1 2 . . . . . . . . sbm1 75 . hn parsed_1b4c 1
134 1 1 . . . . . . . . sbm2 71 . o parsed_1b4c 1
134 1 2 . . . . . . . . sbm2 75 . hn parsed_1b4c 1
135 1 1 . . . . . . . . sbm1 71 . o parsed_1b4c 1
135 1 2 . . . . . . . . sbm1 75 . n parsed_1b4c 1
136 1 1 . . . . . . . . sbm2 71 . o parsed_1b4c 1
136 1 2 . . . . . . . . sbm2 75 . n parsed_1b4c 1
137 1 1 . . . . . . . . sbm1 72 . o parsed_1b4c 1
137 1 2 . . . . . . . . sbm1 76 . hn parsed_1b4c 1
138 1 1 . . . . . . . . sbm2 72 . o parsed_1b4c 1
138 1 2 . . . . . . . . sbm2 76 . hn parsed_1b4c 1
139 1 1 . . . . . . . . sbm1 72 . o parsed_1b4c 1
139 1 2 . . . . . . . . sbm1 76 . n parsed_1b4c 1
140 1 1 . . . . . . . . sbm2 72 . o parsed_1b4c 1
140 1 2 . . . . . . . . sbm2 76 . n parsed_1b4c 1
141 1 1 . . . . . . . . sbm1 73 . o parsed_1b4c 1
141 1 2 . . . . . . . . sbm1 77 . hn parsed_1b4c 1
142 1 1 . . . . . . . . sbm2 73 . o parsed_1b4c 1
142 1 2 . . . . . . . . sbm2 77 . hn parsed_1b4c 1
143 1 1 . . . . . . . . sbm1 73 . o parsed_1b4c 1
143 1 2 . . . . . . . . sbm1 77 . n parsed_1b4c 1
144 1 1 . . . . . . . . sbm2 73 . o parsed_1b4c 1
144 1 2 . . . . . . . . sbm2 77 . n parsed_1b4c 1
145 1 1 . . . . . . . . sbm1 74 . o parsed_1b4c 1
145 1 2 . . . . . . . . sbm1 78 . hn parsed_1b4c 1
146 1 1 . . . . . . . . sbm2 74 . o parsed_1b4c 1
146 1 2 . . . . . . . . sbm2 78 . hn parsed_1b4c 1
147 1 1 . . . . . . . . sbm1 74 . o parsed_1b4c 1
147 1 2 . . . . . . . . sbm1 78 . n parsed_1b4c 1
148 1 1 . . . . . . . . sbm2 74 . o parsed_1b4c 1
148 1 2 . . . . . . . . sbm2 78 . n parsed_1b4c 1
149 1 1 . . . . . . . . sbm1 75 . o parsed_1b4c 1
149 1 2 . . . . . . . . sbm1 79 . hn parsed_1b4c 1
150 1 1 . . . . . . . . sbm2 75 . o parsed_1b4c 1
150 1 2 . . . . . . . . sbm2 79 . hn parsed_1b4c 1
151 1 1 . . . . . . . . sbm1 75 . o parsed_1b4c 1
151 1 2 . . . . . . . . sbm1 79 . n parsed_1b4c 1
152 1 1 . . . . . . . . sbm2 75 . o parsed_1b4c 1
152 1 2 . . . . . . . . sbm2 79 . n parsed_1b4c 1
153 1 1 . . . . . . . . sbm1 76 . o parsed_1b4c 1
153 1 2 . . . . . . . . sbm1 80 . hn parsed_1b4c 1
154 1 1 . . . . . . . . sbm2 76 . o parsed_1b4c 1
154 1 2 . . . . . . . . sbm2 80 . hn parsed_1b4c 1
155 1 1 . . . . . . . . sbm1 76 . o parsed_1b4c 1
155 1 2 . . . . . . . . sbm1 80 . n parsed_1b4c 1
156 1 1 . . . . . . . . sbm2 76 . o parsed_1b4c 1
156 1 2 . . . . . . . . sbm2 80 . n parsed_1b4c 1
157 1 1 . . . . . . . . sbm1 77 . o parsed_1b4c 1
157 1 2 . . . . . . . . sbm1 81 . hn parsed_1b4c 1
158 1 1 . . . . . . . . sbm2 77 . o parsed_1b4c 1
158 1 2 . . . . . . . . sbm2 81 . hn parsed_1b4c 1
159 1 1 . . . . . . . . sbm1 77 . o parsed_1b4c 1
159 1 2 . . . . . . . . sbm1 81 . n parsed_1b4c 1
160 1 1 . . . . . . . . sbm2 77 . o parsed_1b4c 1
160 1 2 . . . . . . . . sbm2 81 . n parsed_1b4c 1
161 1 1 . . . . . . . . sbm1 78 . o parsed_1b4c 1
161 1 2 . . . . . . . . sbm1 82 . hn parsed_1b4c 1
162 1 1 . . . . . . . . sbm2 78 . o parsed_1b4c 1
162 1 2 . . . . . . . . sbm2 82 . hn parsed_1b4c 1
163 1 1 . . . . . . . . sbm1 78 . o parsed_1b4c 1
163 1 2 . . . . . . . . sbm1 82 . n parsed_1b4c 1
164 1 1 . . . . . . . . sbm2 78 . o parsed_1b4c 1
164 1 2 . . . . . . . . sbm2 82 . n parsed_1b4c 1
165 1 1 . . . . . . . . sbm1 79 . o parsed_1b4c 1
165 1 2 . . . . . . . . sbm1 83 . hn parsed_1b4c 1
166 1 1 . . . . . . . . sbm2 79 . o parsed_1b4c 1
166 1 2 . . . . . . . . sbm2 83 . hn parsed_1b4c 1
167 1 1 . . . . . . . . sbm1 79 . o parsed_1b4c 1
167 1 2 . . . . . . . . sbm1 83 . n parsed_1b4c 1
168 1 1 . . . . . . . . sbm2 79 . o parsed_1b4c 1
168 1 2 . . . . . . . . sbm2 83 . n parsed_1b4c 1
169 1 1 . . . . . . . . sbm1 1 . og parsed_1b4c 1
169 1 2 . . . . . . . . sbm1 4 . hn parsed_1b4c 1
170 1 1 . . . . . . . . sbm2 1 . og parsed_1b4c 1
170 1 2 . . . . . . . . sbm2 4 . hn parsed_1b4c 1
171 1 1 . . . . . . . . sbm1 1 . og parsed_1b4c 1
171 1 2 . . . . . . . . sbm1 4 . n parsed_1b4c 1
172 1 1 . . . . . . . . sbm2 1 . og parsed_1b4c 1
172 1 2 . . . . . . . . sbm2 4 . n parsed_1b4c 1
173 1 1 . . . . . . . . sbm1 4 . oe1 parsed_1b4c 1
173 1 2 . . . . . . . . sbm1 1 . hn parsed_1b4c 1
174 1 1 . . . . . . . . sbm2 4 . oe1 parsed_1b4c 1
174 1 2 . . . . . . . . sbm2 1 . hn parsed_1b4c 1
175 1 1 . . . . . . . . sbm1 4 . oe1 parsed_1b4c 1
175 1 2 . . . . . . . . sbm1 1 . n parsed_1b4c 1
176 1 1 . . . . . . . . sbm2 4 . oe1 parsed_1b4c 1
176 1 2 . . . . . . . . sbm2 1 . n parsed_1b4c 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 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
2 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
3 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
4 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
5 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
6 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
7 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
8 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
9 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
10 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
11 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
12 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
13 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
14 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
15 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
16 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
17 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
18 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
19 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
20 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
21 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
22 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
23 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
24 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
25 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
26 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
27 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
28 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
29 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
30 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
31 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
32 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
33 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
34 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
35 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
36 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
37 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
38 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
39 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
40 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
41 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
42 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
43 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
44 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
45 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
46 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
47 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
48 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
49 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
50 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
51 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
52 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
53 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
54 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
55 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
56 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
57 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
58 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
59 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
60 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
61 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
62 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
63 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
64 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
65 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
66 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
67 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
68 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
69 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
70 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
71 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
72 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
73 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
74 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
75 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
76 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
77 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
78 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
79 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
80 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
81 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
82 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
83 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
84 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
85 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
86 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
87 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
88 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
89 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
90 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
91 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
92 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
93 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
94 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
95 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
96 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
97 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
98 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
99 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
100 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
101 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
102 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
103 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
104 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
105 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
106 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
107 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
108 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
109 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
110 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
111 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
112 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
113 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
114 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
115 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
116 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
117 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
118 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
119 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
120 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
121 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
122 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
123 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
124 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
125 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
126 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
127 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
128 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
129 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
130 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
131 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
132 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
133 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
134 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
135 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
136 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
137 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
138 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
139 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
140 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
141 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
142 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
143 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
144 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
145 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
146 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
147 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
148 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
149 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
150 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
151 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
152 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
153 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
154 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
155 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
156 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
157 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
158 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
159 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
160 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
161 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
162 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
163 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
164 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
165 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
166 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
167 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
168 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
169 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
170 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
171 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
172 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
173 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
174 1 . . . . . 1.5 1.5 2.8 parsed_1b4c 1
175 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 1
176 1 . . . . . 2.4 2.4 3.5 parsed_1b4c 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
;
H-BOND CONSTRAINTS
FOR HELIX #1
assign (segid="sbm1" and resid 0 and name o) (segid="sbm1" and resid 4 and name hn) 1.5 0 1.3
assign (segid="sbm2" and resid 0 and name o) (segid="sbm2" and resid 4 and name hn) 1.5 0 1.3
assign (segid="sbm1" and resid 0 and name o) (segid="sbm1" and resid 4 and name n) 2.4 0 1.1
assign (segid="sbm2" and resid 0 and name o) (segid="sbm2" and resid 4 and name n) 2.4 0 1.1
;
1 1 7 94 parsed_1b4c 1
2 "15hn is weak or shows exchange" 63 1 63 39 parsed_1b4c 1
3 "16hn shows some exchange?" 68 1 68 34 parsed_1b4c 1
4
;
18hn is weak or shows some exchange
LOOP 1
H25
amb assign (segid="sbm1" and resid 18 and name og) (segid="sbm1" and resid 25 and name hn) 1.5 0 1.3
amb assign (segid="sbm2" and resid 18 and name og) (segid="sbm2" and resid 25 and name hn) 1.5 0 1.3
amb assign (segid="sbm1" and resid 18 and name og) (segid="sbm1" and resid 25 and name n) 2.4 0 1.1
amb assign (segid="sbm2" and resid 18 and name og) (segid="sbm2" and resid 25 and name n) 2.4 0 1.1
25hn sees 18 ha and possibly hb* (both amb but make sense), 18og thus well placed for Hbond
K26
amb assign (segid="sbm1" and resid 18 and name og) (segid="sbm1" and resid 26 and name hn) 1.5 0 1.3
amb assign (segid="sbm2" and resid 18 and name og) (segid="sbm2" and resid 26 and name hn) 1.5 0 1.3
amb assign (segid="sbm1" and resid 18 and name og) (segid="sbm1" and resid 26 and name n) 2.4 0 1.1
amb assign (segid="sbm2" and resid 18 and name og) (segid="sbm2" and resid 26 and name n) 2.4 0 1.1
26hn sees 18 ha and hb* (both amb but make sense), 18og thus well placed for Hbond
BETA SHEET
;
78 1 97 12 parsed_1b4c 1
5
;
amb assign (segid="sbm1" and resid 66 and name o) (segid="sbm1" and resid 29 and name hn) 1.5 0 1.3
amb assign (segid="sbm2" and resid 66 and name o) (segid="sbm2" and resid 29 and name hn) 1.5 0 1.3
amb assign (segid="sbm1" and resid 66 and name o) (segid="sbm1" and resid 29 and name n) 2.4 0 1.1
amb assign (segid="sbm2" and resid 66 and name o) (segid="sbm2" and resid 29 and name n) 2.4 0 1.1
NOT SURE ABOUT THIS LAST ONE, 29 begins helix 2 and 30hn-29hn med in both strips
HELIX #2
;
108 1 115 10 parsed_1b4c 1
6 "37hn shows little exchange" 145 1 145 28 parsed_1b4c 1
7
;
38hn shows little exchange
amb assign (segid="sbm1" and resid 35 and name o) (segid="sbm1" and resid 39 and name hn) 1.5 0 1.3
amb assign (segid="sbm2" and resid 35 and name o) (segid="sbm2" and resid 39 and name hn) 1.5 0 1.3
amb assign (segid="sbm1" and resid 35 and name o) (segid="sbm1" and resid 39 and name n) 2.4 0 1.1
amb assign (segid="sbm2" and resid 35 and name o) (segid="sbm2" and resid 39 and name n) 2.4 0 1.1
39hn shows some exchange, think helix ends at 38
amb assign (segid="sbm1" and resid 36 and name o) (segid="sbm1" and resid 40 and name hn) 1.5 0 1.3
amb assign (segid="sbm2" and resid 36 and name o) (segid="sbm2" and resid 40 and name hn) 1.5 0 1.3
amb assign (segid="sbm1" and resid 36 and name o) (segid="sbm1" and resid 40 and name n) 2.4 0 1.1
amb assign (segid="sbm2" and resid 36 and name o) (segid="sbm2" and resid 40 and name n) 2.4 0 1.1
amb assign (segid="sbm1" and resid 37 and name o) (segid="sbm1" and resid 41 and name hn) 1.5 0 1.3
amb assign (segid="sbm2" and resid 37 and name o) (segid="sbm2" and resid 41 and name hn) 1.5 0 1.3
amb assign (segid="sbm1" and resid 37 and name o) (segid="sbm1" and resid 41 and name n) 2.4 0 1.1
amb assign (segid="sbm2" and resid 37 and name o) (segid="sbm2" and resid 41 and name n) 2.4 0 1.1
41hn shows some exchange or is weak
amb assign (segid="sbm1" and resid 38 and name o) (segid="sbm1" and resid 42 and name hn) 1.5 0 1.3
amb assign (segid="sbm2" and resid 38 and name o) (segid="sbm2" and resid 42 and name hn) 1.5 0 1.3
amb assign (segid="sbm1" and resid 38 and name o) (segid="sbm1" and resid 42 and name n) 2.4 0 1.1
amb assign (segid="sbm2" and resid 38 and name o) (segid="sbm2" and resid 42 and name n) 2.4 0 1.1
42hn too weak to see H exchange
HELIX #3
amb assign (segid="sbm1" and resid 49 and name o) (segid="sbm1" and resid 53 and name hn) 1.5 0 1.3
amb assign (segid="sbm2" and resid 49 and name o) (segid="sbm2" and resid 53 and name hn) 1.5 0 1.3
amb assign (segid="sbm1" and resid 49 and name o) (segid="sbm1" and resid 53 and name n) 2.4 0 1.1
amb assign (segid="sbm2" and resid 49 and name o) (segid="sbm2" and resid 53 and name n) 2.4 0 1.1
not sure but makes sense
;
151 1 183 27 parsed_1b4c 1
8 "57hn shows little exchange" 207 1 207 29 parsed_1b4c 1
9
;
HELIX #4
assign (segid="sbm1" and resid 69 and name o) (segid="sbm1" and resid 73 and name hn) 1.5 0 1.3
assign (segid="sbm2" and resid 69 and name o) (segid="sbm2" and resid 73 and name hn) 1.5 0 1.3
assign (segid="sbm1" and resid 69 and name o) (segid="sbm1" and resid 73 and name n) 2.4 0 1.1
assign (segid="sbm2" and resid 69 and name o) (segid="sbm2" and resid 73 and name n) 2.4 0 1.1
;
239 1 243 96 parsed_1b4c 1
10 "82hn too weak" 289 1 289 22 parsed_1b4c 1
11
;
83hn shows little exchange
HELIX CAPS
helix 1, N-terminal
;
295 1 301 21 parsed_1b4c 1
12
;
helix 3
N-terminal: only half-cap for this one b/c V52 cant reciprocate
amb assign (segid="sbm1" and resid 49 and name oe1) (segid="sbm1" and resid 52 and name hn) 1.5 0 1.3
amb assign (segid="sbm2" and resid 49 and name oe1) (segid="sbm2" and resid 52 and name hn) 1.5 0 1.3
amb assign (segid="sbm1" and resid 49 and name oe1) (segid="sbm1" and resid 52 and name n) 2.4 0 1.1
amb assign (segid="sbm2" and resid 49 and name oe1) (segid="sbm2" and resid 52 and name n) 2.4 0 1.1
C-terminal
amb assign (segid="sbm1" and resid 59 and name o) (segid="sbm1" and resid 63 and name hn) 1.5 0 1.3
amb assign (segid="sbm2" and resid 59 and name o) (segid="sbm2" and resid 63 and name hn) 1.5 0 1.3
amb assign (segid="sbm1" and resid 59 and name o) (segid="sbm1" and resid 63 and name n) 2.4 0 1.1
amb assign (segid="sbm2" and resid 59 and name o) (segid="sbm2" and resid 63 and name n) 2.4 0 1.1
amb assign (segid="sbm1" and resid 60 and name o) (segid="sbm1" and resid 64 and name hn) 1.5 0 1.3
amb assign (segid="sbm2" and resid 60 and name o) (segid="sbm2" and resid 64 and name hn) 1.5 0 1.3
amb assign (segid="sbm1" and resid 60 and name o) (segid="sbm1" and resid 64 and name n) 2.4 0 1.1
amb assign (segid="sbm2" and resid 60 and name o) (segid="sbm2" and resid 64 and name n) 2.4 0 1.1
;
312 1 328 100 parsed_1b4c 1
stop_
save_
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