NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
31721 |
1exl   |
cing | 2-parsed | STAR | distance | NOE | simple | 177 |
data_1exl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1exl
_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_1exl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1exl
_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 1exl "Master copy" parsed_1exl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1exl
_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 1exl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1exl 1
1 1exl.mr . . XPLOR/CNS 2 distance NOE simple 177 parsed_1exl 1
1 1exl.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1exl 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1exl
_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_1exl 1
2 1 . . . parsed_1exl 1
3 1 . . . parsed_1exl 1
4 1 . . . parsed_1exl 1
5 1 . . . parsed_1exl 1
6 1 . . . parsed_1exl 1
7 1 . . . parsed_1exl 1
8 1 . . . parsed_1exl 1
9 1 . . . parsed_1exl 1
10 1 . . . parsed_1exl 1
11 1 . . . parsed_1exl 1
12 1 . . . parsed_1exl 1
13 1 . . . parsed_1exl 1
14 1 . . . parsed_1exl 1
15 1 . . . parsed_1exl 1
16 1 . . . parsed_1exl 1
17 1 . . . parsed_1exl 1
18 1 . . . parsed_1exl 1
19 1 . . . parsed_1exl 1
20 1 . . . parsed_1exl 1
21 1 . . . parsed_1exl 1
22 1 . . . parsed_1exl 1
23 1 . . . parsed_1exl 1
24 1 . . . parsed_1exl 1
25 1 . . . parsed_1exl 1
26 1 . . . parsed_1exl 1
27 1 . . . parsed_1exl 1
28 1 . . . parsed_1exl 1
29 1 . . . parsed_1exl 1
30 1 . . . parsed_1exl 1
31 1 . . . parsed_1exl 1
32 1 . . . parsed_1exl 1
33 1 . . . parsed_1exl 1
34 1 . . . parsed_1exl 1
35 1 . . . parsed_1exl 1
36 1 . . . parsed_1exl 1
37 1 . . . parsed_1exl 1
38 1 . . . parsed_1exl 1
39 1 . . . parsed_1exl 1
40 1 . . . parsed_1exl 1
41 1 . . . parsed_1exl 1
42 1 . . . parsed_1exl 1
43 1 . . . parsed_1exl 1
44 1 . . . parsed_1exl 1
45 1 . . . parsed_1exl 1
46 1 . . . parsed_1exl 1
47 1 . . . parsed_1exl 1
48 1 . . . parsed_1exl 1
49 1 . . . parsed_1exl 1
50 1 . . . parsed_1exl 1
51 1 . . . parsed_1exl 1
52 1 . . . parsed_1exl 1
53 1 . . . parsed_1exl 1
54 1 . . . parsed_1exl 1
55 1 . . . parsed_1exl 1
56 1 . . . parsed_1exl 1
57 1 . . . parsed_1exl 1
58 1 . . . parsed_1exl 1
59 1 . . . parsed_1exl 1
60 1 . . . parsed_1exl 1
61 1 . . . parsed_1exl 1
62 1 . . . parsed_1exl 1
63 1 . . . parsed_1exl 1
64 1 . . . parsed_1exl 1
65 1 . . . parsed_1exl 1
66 1 . . . parsed_1exl 1
67 1 . . . parsed_1exl 1
68 1 . . . parsed_1exl 1
69 1 . . . parsed_1exl 1
70 1 . . . parsed_1exl 1
71 1 . . . parsed_1exl 1
72 1 . . . parsed_1exl 1
73 1 . . . parsed_1exl 1
74 1 . . . parsed_1exl 1
75 1 . . . parsed_1exl 1
76 1 . . . parsed_1exl 1
77 1 . . . parsed_1exl 1
78 1 . . . parsed_1exl 1
79 1 . . . parsed_1exl 1
80 1 . . . parsed_1exl 1
81 1 . . . parsed_1exl 1
82 1 . . . parsed_1exl 1
83 1 . . . parsed_1exl 1
84 1 . . . parsed_1exl 1
85 1 . . . parsed_1exl 1
86 1 . . . parsed_1exl 1
87 1 . . . parsed_1exl 1
88 1 . . . parsed_1exl 1
89 1 . . . parsed_1exl 1
90 1 . . . parsed_1exl 1
91 1 . . . parsed_1exl 1
92 1 . . . parsed_1exl 1
93 1 . . . parsed_1exl 1
94 1 . . . parsed_1exl 1
95 1 . . . parsed_1exl 1
96 1 . . . parsed_1exl 1
97 1 . . . parsed_1exl 1
98 1 . . . parsed_1exl 1
99 1 . . . parsed_1exl 1
100 1 . . . parsed_1exl 1
101 1 . . . parsed_1exl 1
102 1 . . . parsed_1exl 1
103 1 . . . parsed_1exl 1
104 1 . . . parsed_1exl 1
105 1 . . . parsed_1exl 1
106 1 . . . parsed_1exl 1
107 1 . . . parsed_1exl 1
108 1 . . . parsed_1exl 1
109 1 . . . parsed_1exl 1
110 1 . . . parsed_1exl 1
111 1 . . . parsed_1exl 1
112 1 . . . parsed_1exl 1
113 1 . . . parsed_1exl 1
114 1 . . . parsed_1exl 1
115 1 . . . parsed_1exl 1
116 1 . . . parsed_1exl 1
117 1 . . . parsed_1exl 1
118 1 . . . parsed_1exl 1
119 1 . . . parsed_1exl 1
120 1 . . . parsed_1exl 1
121 1 . . . parsed_1exl 1
122 1 . . . parsed_1exl 1
123 1 . . . parsed_1exl 1
124 1 . . . parsed_1exl 1
125 1 . . . parsed_1exl 1
126 1 . . . parsed_1exl 1
127 1 . . . parsed_1exl 1
128 1 . . . parsed_1exl 1
129 1 . . . parsed_1exl 1
130 1 . . . parsed_1exl 1
131 1 . . . parsed_1exl 1
132 1 . . . parsed_1exl 1
133 1 . . . parsed_1exl 1
134 1 . . . parsed_1exl 1
135 1 . . . parsed_1exl 1
136 1 . . . parsed_1exl 1
137 1 . . . parsed_1exl 1
138 1 . . . parsed_1exl 1
139 1 . . . parsed_1exl 1
140 1 . . . parsed_1exl 1
141 1 . . . parsed_1exl 1
142 1 . . . parsed_1exl 1
143 1 . . . parsed_1exl 1
144 1 . . . parsed_1exl 1
145 1 . . . parsed_1exl 1
146 1 . . . parsed_1exl 1
147 1 . . . parsed_1exl 1
148 1 . . . parsed_1exl 1
149 1 . . . parsed_1exl 1
150 1 . . . parsed_1exl 1
151 1 . . . parsed_1exl 1
152 1 . . . parsed_1exl 1
153 1 . . . parsed_1exl 1
154 1 . . . parsed_1exl 1
155 1 . . . parsed_1exl 1
156 1 . . . parsed_1exl 1
157 1 . . . parsed_1exl 1
158 1 . . . parsed_1exl 1
159 1 . . . parsed_1exl 1
160 1 . . . parsed_1exl 1
161 1 . . . parsed_1exl 1
162 1 . . . parsed_1exl 1
163 1 . . . parsed_1exl 1
164 1 . . . parsed_1exl 1
165 1 . . . parsed_1exl 1
166 1 . . . parsed_1exl 1
167 1 . . . parsed_1exl 1
168 1 . . . parsed_1exl 1
169 1 . . . parsed_1exl 1
170 1 . . . parsed_1exl 1
171 1 . . . parsed_1exl 1
172 1 . . . parsed_1exl 1
173 1 . . . parsed_1exl 1
174 1 . . . parsed_1exl 1
175 1 . . . parsed_1exl 1
176 1 . . . parsed_1exl 1
177 1 . . . parsed_1exl 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 . . . . . . . . STR2 7 . H1' parsed_1exl 1
1 1 2 . . . . . . . . STR2 7 . H2' parsed_1exl 1
2 1 1 . . . . . . . . STR2 5 . H1' parsed_1exl 1
2 1 2 . . . . . . . . STR2 5 . H2' parsed_1exl 1
3 1 1 . . . . . . . . STR2 4 . H2'' parsed_1exl 1
3 1 2 . . . . . . . . STR2 5 . H5 parsed_1exl 1
4 1 1 . . . . . . . . STR2 5 . H1' parsed_1exl 1
4 1 2 . . . . . . . . STR2 5 . H2'' parsed_1exl 1
5 1 1 . . . . . . . . STR2 7 . H1' parsed_1exl 1
5 1 2 . . . . . . . . STR2 7 . H2'' parsed_1exl 1
6 1 1 . . . . . . . . STR1 9 . H1' parsed_1exl 1
6 1 2 . . . . . . . . STR1 9 . H2'' parsed_1exl 1
7 1 1 . . . . . . . . STR1 10 . H1' parsed_1exl 1
7 1 2 . . . . . . . . STR1 10 . H2'' parsed_1exl 1
8 1 1 . . . . . . . . STR1 10 . H1' parsed_1exl 1
8 1 2 . . . . . . . . STR1 10 . H2' parsed_1exl 1
9 1 1 . . . . . . . . STR2 1 . H1' parsed_1exl 1
9 1 2 . . . . . . . . STR2 1 . H2'' parsed_1exl 1
10 1 1 . . . . . . . . STR2 2 . H1' parsed_1exl 1
10 1 2 . . . . . . . . STR2 2 . H2'' parsed_1exl 1
11 1 1 . . . . . . . . STR1 9 . H2' parsed_1exl 1
11 1 2 . . . . . . . . STR1 9 . H1' parsed_1exl 1
12 1 1 . . . . . . . . STR1 8 . H2'' parsed_1exl 1
12 1 2 . . . . . . . . STR1 9 . H5 parsed_1exl 1
13 1 1 . . . . . . . . STR1 4 . H2' parsed_1exl 1
13 1 2 . . . . . . . . STR1 4 . H1' parsed_1exl 1
14 1 1 . . . . . . . . STR1 1 . H1' parsed_1exl 1
14 1 2 . . . . . . . . STR1 1 . H2'' parsed_1exl 1
15 1 1 . . . . . . . . STR1 2 . H1' parsed_1exl 1
15 1 2 . . . . . . . . STR1 2 . H2'' parsed_1exl 1
16 1 1 . . . . . . . . STR1 4 . H1' parsed_1exl 1
16 1 2 . . . . . . . . STR1 4 . H2'' parsed_1exl 1
17 1 1 . . . . . . . . STR2 11 . H1' parsed_1exl 1
17 1 2 . . . . . . . . STR2 11 . H2'' parsed_1exl 1
18 1 1 . . . . . . . . STR1 9 . H1' parsed_1exl 1
18 1 2 . . . . . . . . STR1 9 . H3' parsed_1exl 1
19 1 1 . . . . . . . . STR1 11 . H1' parsed_1exl 1
19 1 2 . . . . . . . . STR1 11 . H3' parsed_1exl 1
20 1 1 . . . . . . . . STR1 10 . H1' parsed_1exl 1
20 1 2 . . . . . . . . STR1 10 . H3' parsed_1exl 1
21 1 1 . . . . . . . . STR2 2 . H1' parsed_1exl 1
21 1 2 . . . . . . . . STR2 2 . H3' parsed_1exl 1
22 1 1 . . . . . . . . STR1 4 . H1' parsed_1exl 1
22 1 2 . . . . . . . . STR1 4 . H3' parsed_1exl 1
23 1 1 . . . . . . . . STR2 5 . H5 parsed_1exl 1
23 1 2 . . . . . . . . STR2 4 . H8 parsed_1exl 1
24 1 1 . . . . . . . . STR2 7 . H5 parsed_1exl 1
24 1 2 . . . . . . . . STR2 6 . H6 parsed_1exl 1
25 1 1 . . . . . . . . STR2 5 . H6 parsed_1exl 1
25 1 2 . . . . . . . . STR2 5 . H1' parsed_1exl 1
26 1 1 . . . . . . . . STR1 6 . H1' parsed_1exl 1
26 1 2 . . . . . . . . STR1 6 . H8 parsed_1exl 1
27 1 1 . . . . . . . . STR2 6 . H1' parsed_1exl 1
27 1 2 . . . . . . . . STR2 6 . H6 parsed_1exl 1
28 1 1 . . . . . . . . STR1 7 . H8 parsed_1exl 1
28 1 2 . . . . . . . . STR1 7 . H1' parsed_1exl 1
29 1 1 . . . . . . . . STR1 6 . H1' parsed_1exl 1
29 1 2 . . . . . . . . STR1 6 . H2 parsed_1exl 1
30 1 1 . . . . . . . . STR1 7 . H1' parsed_1exl 1
30 1 2 . . . . . . . . STR1 6 . H2 parsed_1exl 1
31 1 1 . . . . . . . . STR1 11 . H6 parsed_1exl 1
31 1 2 . . . . . . . . STR1 11 . H1' parsed_1exl 1
32 1 1 . . . . . . . . STR1 11 . H1' parsed_1exl 1
32 1 2 . . . . . . . . STR1 10 . H2 parsed_1exl 1
33 1 1 . . . . . . . . STR1 11 . H3' parsed_1exl 1
33 1 2 . . . . . . . . STR1 11 . H6 parsed_1exl 1
34 1 1 . . . . . . . . STR1 10 . H8 parsed_1exl 1
34 1 2 . . . . . . . . STR1 11 . H5 parsed_1exl 1
35 1 1 . . . . . . . . STR1 8 . H6 parsed_1exl 1
35 1 2 . . . . . . . . STR1 8 . H1' parsed_1exl 1
36 1 1 . . . . . . . . STR1 10 . H1' parsed_1exl 1
36 1 2 . . . . . . . . STR1 10 . H2 parsed_1exl 1
37 1 1 . . . . . . . . STR2 4 . H1' parsed_1exl 1
37 1 2 . . . . . . . . STR2 4 . H2 parsed_1exl 1
38 1 1 . . . . . . . . STR1 2 . H1' parsed_1exl 1
38 1 2 . . . . . . . . STR1 2 . H8 parsed_1exl 1
39 1 1 . . . . . . . . STR1 3 . H1' parsed_1exl 1
39 1 2 . . . . . . . . STR1 3 . H8 parsed_1exl 1
40 1 1 . . . . . . . . STR2 11 . H1' parsed_1exl 1
40 1 2 . . . . . . . . STR2 11 . H8 parsed_1exl 1
41 1 1 . . . . . . . . STR1 2 . H1' parsed_1exl 1
41 1 2 . . . . . . . . STR1 2 . H2 parsed_1exl 1
42 1 1 . . . . . . . . STR1 3 . H3' parsed_1exl 1
42 1 2 . . . . . . . . STR1 4 . H6 parsed_1exl 1
43 1 1 . . . . . . . . STR2 8 . H8 parsed_1exl 1
43 1 2 . . . . . . . . STR2 9 . H5 parsed_1exl 1
44 1 1 . . . . . . . . STR1 1 . H1' parsed_1exl 1
44 1 2 . . . . . . . . STR1 1 . H6 parsed_1exl 1
45 1 1 . . . . . . . . STR1 4 . H1' parsed_1exl 1
45 1 2 . . . . . . . . STR1 4 . H6 parsed_1exl 1
46 1 1 . . . . . . . . STR1 3 . H1' parsed_1exl 1
46 1 2 . . . . . . . . STR1 2 . H2 parsed_1exl 1
47 1 1 . . . . . . . . STR2 8 . H2 parsed_1exl 1
47 1 2 . . . . . . . . STR2 9 . H1' parsed_1exl 1
48 1 1 . . . . . . . . STR2 8 . H1' parsed_1exl 1
48 1 2 . . . . . . . . STR2 8 . H2 parsed_1exl 1
49 1 1 . . . . . . . . STR2 6 . H5# parsed_1exl 1
49 1 2 . . . . . . . . STR2 5 . H6 parsed_1exl 1
50 1 1 . . . . . . . . STR1 7 . H8 parsed_1exl 1
50 1 2 . . . . . . . . STR1 8 . H5# parsed_1exl 1
51 1 1 . . . . . . . . STR1 4 . H2' parsed_1exl 1
51 1 2 . . . . . . . . STR1 5 . H8 parsed_1exl 1
52 1 1 . . . . . . . . STR1 7 . H2'' parsed_1exl 1
52 1 2 . . . . . . . . STR1 8 . H6 parsed_1exl 1
53 1 1 . . . . . . . . STR2 4 . H2'' parsed_1exl 1
53 1 2 . . . . . . . . STR2 5 . H6 parsed_1exl 1
54 1 1 . . . . . . . . STR2 5 . H2' parsed_1exl 1
54 1 2 . . . . . . . . STR2 5 . H6 parsed_1exl 1
55 1 1 . . . . . . . . STR2 6 . H2' parsed_1exl 1
55 1 2 . . . . . . . . STR2 6 . H6 parsed_1exl 1
56 1 1 . . . . . . . . STR2 6 . H2'' parsed_1exl 1
56 1 2 . . . . . . . . STR2 7 . H6 parsed_1exl 1
57 1 1 . . . . . . . . STR2 7 . H2' parsed_1exl 1
57 1 2 . . . . . . . . STR2 7 . H6 parsed_1exl 1
58 1 1 . . . . . . . . STR2 7 . H2'' parsed_1exl 1
58 1 2 . . . . . . . . STR2 7 . H6 parsed_1exl 1
59 1 1 . . . . . . . . STR1 10 . H2' parsed_1exl 1
59 1 2 . . . . . . . . STR1 11 . H6 parsed_1exl 1
60 1 1 . . . . . . . . STR2 3 . H2'' parsed_1exl 1
60 1 2 . . . . . . . . STR2 3 . H8 parsed_1exl 1
61 1 1 . . . . . . . . STR1 8 . H2' parsed_1exl 1
61 1 2 . . . . . . . . STR1 8 . H6 parsed_1exl 1
62 1 1 . . . . . . . . STR1 8 . H2'' parsed_1exl 1
62 1 2 . . . . . . . . STR1 9 . H6 parsed_1exl 1
63 1 1 . . . . . . . . STR1 10 . H2'' parsed_1exl 1
63 1 2 . . . . . . . . STR1 11 . H6 parsed_1exl 1
64 1 1 . . . . . . . . STR2 3 . H2' parsed_1exl 1
64 1 2 . . . . . . . . STR2 3 . H8 parsed_1exl 1
65 1 1 . . . . . . . . STR2 4 . H2' parsed_1exl 1
65 1 2 . . . . . . . . STR2 4 . H8 parsed_1exl 1
66 1 1 . . . . . . . . STR1 4 . H5# parsed_1exl 1
66 1 2 . . . . . . . . STR1 3 . H8 parsed_1exl 1
67 1 1 . . . . . . . . STR1 1 . H2' parsed_1exl 1
67 1 2 . . . . . . . . STR1 1 . H6 parsed_1exl 1
68 1 1 . . . . . . . . STR1 2 . H2'' parsed_1exl 1
68 1 2 . . . . . . . . STR1 3 . H8 parsed_1exl 1
69 1 1 . . . . . . . . STR1 3 . H2' parsed_1exl 1
69 1 2 . . . . . . . . STR1 3 . H8 parsed_1exl 1
70 1 1 . . . . . . . . STR1 3 . H2'' parsed_1exl 1
70 1 2 . . . . . . . . STR1 4 . H6 parsed_1exl 1
71 1 1 . . . . . . . . STR1 4 . H2' parsed_1exl 1
71 1 2 . . . . . . . . STR1 4 . H6 parsed_1exl 1
72 1 1 . . . . . . . . STR1 2 . H2' parsed_1exl 1
72 1 2 . . . . . . . . STR1 3 . H8 parsed_1exl 1
73 1 1 . . . . . . . . STR2 5 . H6 parsed_1exl 1
73 1 2 . . . . . . . . STR2 4 . H3' parsed_1exl 1
74 1 1 . . . . . . . . STR2 5 . H3' parsed_1exl 1
74 1 2 . . . . . . . . STR2 6 . H6 parsed_1exl 1
75 1 1 . . . . . . . . STR1 5 . H8 parsed_1exl 1
75 1 2 . . . . . . . . STR1 4 . H6 parsed_1exl 1
76 1 1 . . . . . . . . STR2 6 . H5# parsed_1exl 1
76 1 2 . . . . . . . . STR2 5 . H5 parsed_1exl 1
77 1 1 . . . . . . . . STR2 7 . H5 parsed_1exl 1
77 1 2 . . . . . . . . STR2 6 . H5# parsed_1exl 1
78 1 1 . . . . . . . . STR1 6 . HX'' parsed_1exl 1
78 1 2 . . . . . . . . STR1 6 . H8 parsed_1exl 1
79 1 1 . . . . . . . . STR1 11 . H6 parsed_1exl 1
79 1 2 . . . . . . . . STR1 11 . H3' parsed_1exl 1
80 1 1 . . . . . . . . STR1 10 . H3' parsed_1exl 1
80 1 2 . . . . . . . . STR1 11 . H6 parsed_1exl 1
81 1 1 . . . . . . . . STR2 3 . H3' parsed_1exl 1
81 1 2 . . . . . . . . STR2 3 . H8 parsed_1exl 1
82 1 1 . . . . . . . . STR1 9 . H6 parsed_1exl 1
82 1 2 . . . . . . . . STR1 8 . H6 parsed_1exl 1
83 1 1 . . . . . . . . STR2 2 . H2' parsed_1exl 1
83 1 2 . . . . . . . . STR2 2 . H1' parsed_1exl 1
84 1 1 . . . . . . . . STR2 1 . H1' parsed_1exl 1
84 1 2 . . . . . . . . STR2 1 . H2'' parsed_1exl 1
85 1 1 . . . . . . . . STR1 10 . H1' parsed_1exl 1
85 1 2 . . . . . . . . STR1 10 . H4' parsed_1exl 1
86 1 1 . . . . . . . . STR2 4 . H1' parsed_1exl 1
86 1 2 . . . . . . . . STR2 4 . H4' parsed_1exl 1
87 1 1 . . . . . . . . STR1 11 . H3' parsed_1exl 1
87 1 2 . . . . . . . . STR1 11 . H1' parsed_1exl 1
88 1 1 . . . . . . . . STR2 2 . H3' parsed_1exl 1
88 1 2 . . . . . . . . STR2 2 . H1' parsed_1exl 1
89 1 1 . . . . . . . . STR1 8 . H5# parsed_1exl 1
89 1 2 . . . . . . . . STR1 9 . H5 parsed_1exl 1
90 1 1 . . . . . . . . STR1 11 . H1' parsed_1exl 1
90 1 2 . . . . . . . . STR1 10 . H2 parsed_1exl 1
91 1 1 . . . . . . . . STR1 10 . H1' parsed_1exl 1
91 1 2 . . . . . . . . STR1 10 . H2 parsed_1exl 1
92 1 1 . . . . . . . . STR1 8 . H1' parsed_1exl 1
92 1 2 . . . . . . . . STR2 4 . H2 parsed_1exl 1
93 1 1 . . . . . . . . STR1 3 . H2' parsed_1exl 1
93 1 2 . . . . . . . . STR1 4 . H6 parsed_1exl 1
94 1 1 . . . . . . . . STR1 4 . H2'' parsed_1exl 1
94 1 2 . . . . . . . . STR1 4 . H6 parsed_1exl 1
95 1 1 . . . . . . . . STR2 8 . H3' parsed_1exl 1
95 1 2 . . . . . . . . STR2 9 . H6 parsed_1exl 1
96 1 1 . . . . . . . . STR1 4 . H1' parsed_1exl 1
96 1 2 . . . . . . . . STR1 4 . H6 parsed_1exl 1
97 1 1 . . . . . . . . STR1 4 . H6 parsed_1exl 1
97 1 2 . . . . . . . . STR1 3 . H8 parsed_1exl 1
98 1 1 . . . . . . . . STR1 2 . H8 parsed_1exl 1
98 1 2 . . . . . . . . STR1 3 . H8 parsed_1exl 1
99 1 1 . . . . . . . . STR2 10 . H2' parsed_1exl 1
99 1 2 . . . . . . . . STR2 10 . H1' parsed_1exl 1
100 1 1 . . . . . . . . STR1 2 . H1' parsed_1exl 1
100 1 2 . . . . . . . . STR1 2 . H2'' parsed_1exl 1
101 1 1 . . . . . . . . STR1 3 . H4' parsed_1exl 1
101 1 2 . . . . . . . . STR1 3 . H1' parsed_1exl 1
102 1 1 . . . . . . . . STR2 11 . H4' parsed_1exl 1
102 1 2 . . . . . . . . STR2 11 . H1' parsed_1exl 1
103 1 1 . . . . . . . . STR1 3 . H3' parsed_1exl 1
103 1 2 . . . . . . . . STR1 3 . H1' parsed_1exl 1
104 1 1 . . . . . . . . STR2 8 . H1' parsed_1exl 1
104 1 2 . . . . . . . . STR2 9 . H1' parsed_1exl 1
105 1 1 . . . . . . . . STR2 10 . H5# parsed_1exl 1
105 1 2 . . . . . . . . STR2 9 . H5 parsed_1exl 1
106 1 1 . . . . . . . . STR1 1 . H5 parsed_1exl 1
106 1 2 . . . . . . . . STR1 1 . H2' parsed_1exl 1
107 1 1 . . . . . . . . STR1 3 . H1' parsed_1exl 1
107 1 2 . . . . . . . . STR1 2 . H2 parsed_1exl 1
108 1 1 . . . . . . . . STR1 2 . H1' parsed_1exl 1
108 1 2 . . . . . . . . STR1 2 . H2 parsed_1exl 1
109 1 1 . . . . . . . . STR2 6 . H2' parsed_1exl 1
109 1 2 . . . . . . . . STR2 7 . H5 parsed_1exl 1
110 1 1 . . . . . . . . STR1 9 . H5 parsed_1exl 1
110 1 2 . . . . . . . . STR1 8 . H6 parsed_1exl 1
111 1 1 . . . . . . . . STR2 3 . H1' parsed_1exl 1
111 1 2 . . . . . . . . STR2 3 . H8 parsed_1exl 1
112 1 1 . . . . . . . . STR2 4 . H1' parsed_1exl 1
112 1 2 . . . . . . . . STR2 4 . H8 parsed_1exl 1
113 1 1 . . . . . . . . STR1 8 . H2'' parsed_1exl 1
113 1 2 . . . . . . . . STR1 8 . H6 parsed_1exl 1
114 1 1 . . . . . . . . STR2 2 . H2'' parsed_1exl 1
114 1 2 . . . . . . . . STR2 3 . H8 parsed_1exl 1
115 1 1 . . . . . . . . STR2 2 . H2' parsed_1exl 1
115 1 2 . . . . . . . . STR2 3 . H8 parsed_1exl 1
116 1 1 . . . . . . . . STR2 4 . H1' parsed_1exl 1
116 1 2 . . . . . . . . STR2 5 . H1' parsed_1exl 1
117 1 1 . . . . . . . . STR2 4 . H2' parsed_1exl 1
117 1 2 . . . . . . . . STR2 5 . H5 parsed_1exl 1
118 1 1 . . . . . . . . STR2 1 . H1' parsed_1exl 1
118 1 2 . . . . . . . . STR2 1 . H8 parsed_1exl 1
119 1 1 . . . . . . . . STR2 6 . H2'' parsed_1exl 1
119 1 2 . . . . . . . . STR2 7 . H5 parsed_1exl 1
120 1 1 . . . . . . . . STR2 4 . H1' parsed_1exl 1
120 1 2 . . . . . . . . STR2 5 . H6 parsed_1exl 1
121 1 1 . . . . . . . . STR1 10 . H1' parsed_1exl 1
121 1 2 . . . . . . . . STR1 11 . H6 parsed_1exl 1
122 1 1 . . . . . . . . STR2 3 . H1' parsed_1exl 1
122 1 2 . . . . . . . . STR2 4 . H8 parsed_1exl 1
123 1 1 . . . . . . . . STR2 8 . H1' parsed_1exl 1
123 1 2 . . . . . . . . STR2 9 . H6 parsed_1exl 1
124 1 1 . . . . . . . . STR1 1 . H2'' parsed_1exl 1
124 1 2 . . . . . . . . STR1 1 . H6 parsed_1exl 1
125 1 1 . . . . . . . . STR1 3 . H2'' parsed_1exl 1
125 1 2 . . . . . . . . STR1 3 . H8 parsed_1exl 1
126 1 1 . . . . . . . . STR2 4 . H8 parsed_1exl 1
126 1 2 . . . . . . . . STR2 5 . H6 parsed_1exl 1
127 1 1 . . . . . . . . STR2 4 . H1' parsed_1exl 1
127 1 2 . . . . . . . . STR2 5 . H5 parsed_1exl 1
128 1 1 . . . . . . . . STR1 8 . H3' parsed_1exl 1
128 1 2 . . . . . . . . STR1 8 . H6 parsed_1exl 1
129 1 1 . . . . . . . . STR1 10 . H8 parsed_1exl 1
129 1 2 . . . . . . . . STR1 11 . H6 parsed_1exl 1
130 1 1 . . . . . . . . STR2 4 . H1' parsed_1exl 1
130 1 2 . . . . . . . . STR2 4 . H3' parsed_1exl 1
131 1 1 . . . . . . . . STR2 4 . H4' parsed_1exl 1
131 1 2 . . . . . . . . STR2 4 . H3' parsed_1exl 1
132 1 1 . . . . . . . . STR2 2 . H1' parsed_1exl 1
132 1 2 . . . . . . . . STR1 10 . H2 parsed_1exl 1
133 1 1 . . . . . . . . STR1 1 . H6 parsed_1exl 1
133 1 2 . . . . . . . . STR1 1 . H2' parsed_1exl 1
134 1 1 . . . . . . . . STR1 1 . H2'' parsed_1exl 1
134 1 2 . . . . . . . . STR1 1 . H6 parsed_1exl 1
135 1 1 . . . . . . . . STR1 4 . H2' parsed_1exl 1
135 1 2 . . . . . . . . STR1 4 . H6 parsed_1exl 1
136 1 1 . . . . . . . . STR2 8 . H2'' parsed_1exl 1
136 1 2 . . . . . . . . STR2 9 . H6 parsed_1exl 1
137 1 1 . . . . . . . . STR2 11 . H8 parsed_1exl 1
137 1 2 . . . . . . . . STR2 10 . H1' parsed_1exl 1
138 1 1 . . . . . . . . STR2 8 . H8 parsed_1exl 1
138 1 2 . . . . . . . . STR2 9 . H6 parsed_1exl 1
139 1 1 . . . . . . . . STR2 8 . H1' parsed_1exl 1
139 1 2 . . . . . . . . STR2 9 . H5 parsed_1exl 1
140 1 1 . . . . . . . . STR1 3 . H4' parsed_1exl 1
140 1 2 . . . . . . . . STR1 3 . H3' parsed_1exl 1
141 1 1 . . . . . . . . STR2 10 . H1' parsed_1exl 1
141 1 2 . . . . . . . . STR1 2 . H2 parsed_1exl 1
142 1 1 . . . . . . . . STR1 3 . H1' parsed_1exl 1
142 1 2 . . . . . . . . STR1 3 . H3' parsed_1exl 1
143 1 1 . . . . . . . . STR1 3 . H3' parsed_1exl 1
143 1 2 . . . . . . . . STR1 3 . H8 parsed_1exl 1
144 1 1 . . . . . . . . STR1 1 . H1' parsed_1exl 1
144 1 2 . . . . . . . . STR1 1 . H2' parsed_1exl 1
145 1 1 . . . . . . . . STR2 11 . H1' parsed_1exl 1
145 1 2 . . . . . . . . STR1 2 . H2 parsed_1exl 1
146 1 1 . . . . . . . . STR1 1 . H1' parsed_1exl 1
146 1 2 . . . . . . . . STR1 2 . H8 parsed_1exl 1
147 1 1 . . . . . . . . STR1 4 . H1' parsed_1exl 1
147 1 2 . . . . . . . . STR1 5 . H8 parsed_1exl 1
148 1 1 . . . . . . . . STR1 7 . H1' parsed_1exl 1
148 1 2 . . . . . . . . STR1 8 . H6 parsed_1exl 1
149 1 1 . . . . . . . . STR1 9 . H1' parsed_1exl 1
149 1 2 . . . . . . . . STR1 10 . H8 parsed_1exl 1
150 1 1 . . . . . . . . STR2 2 . H1' parsed_1exl 1
150 1 2 . . . . . . . . STR2 3 . H8 parsed_1exl 1
151 1 1 . . . . . . . . STR2 5 . H1' parsed_1exl 1
151 1 2 . . . . . . . . STR2 6 . H6 parsed_1exl 1
152 1 1 . . . . . . . . STR2 6 . H1' parsed_1exl 1
152 1 2 . . . . . . . . STR2 7 . H6 parsed_1exl 1
153 1 1 . . . . . . . . STR2 7 . H1' parsed_1exl 1
153 1 2 . . . . . . . . STR2 8 . H8 parsed_1exl 1
154 1 1 . . . . . . . . STR2 9 . H1' parsed_1exl 1
154 1 2 . . . . . . . . STR2 10 . H6 parsed_1exl 1
155 1 1 . . . . . . . . STR2 11 . H2' parsed_1exl 1
155 1 2 . . . . . . . . STR2 11 . H8 parsed_1exl 1
156 1 1 . . . . . . . . STR2 11 . H2'' parsed_1exl 1
156 1 2 . . . . . . . . STR2 11 . H8 parsed_1exl 1
157 1 1 . . . . . . . . STR1 5 . H1' parsed_1exl 1
157 1 2 . . . . . . . . STR1 5 . H8 parsed_1exl 1
158 1 1 . . . . . . . . STR2 8 . H2'' parsed_1exl 1
158 1 2 . . . . . . . . STR2 9 . H5 parsed_1exl 1
159 1 1 . . . . . . . . STR1 8 . H1' parsed_1exl 1
159 1 2 . . . . . . . . STR1 9 . H6 parsed_1exl 1
160 1 1 . . . . . . . . STR1 3 . H1' parsed_1exl 1
160 1 2 . . . . . . . . STR1 4 . H6 parsed_1exl 1
161 1 1 . . . . . . . . STR2 5 . H2' parsed_1exl 1
161 1 2 . . . . . . . . STR2 6 . H6 parsed_1exl 1
162 1 1 . . . . . . . . STR2 1 . H2' parsed_1exl 1
162 1 2 . . . . . . . . STR2 1 . H8 parsed_1exl 1
163 1 1 . . . . . . . . STR1 4 . H5# parsed_1exl 1
163 1 2 . . . . . . . . STR1 3 . H1' parsed_1exl 1
164 1 1 . . . . . . . . STR1 1 . H1' parsed_1exl 1
164 1 2 . . . . . . . . STR1 1 . H5 parsed_1exl 1
165 1 1 . . . . . . . . STR1 2 . H1' parsed_1exl 1
165 1 2 . . . . . . . . STR1 2 . H3' parsed_1exl 1
166 1 1 . . . . . . . . STR2 5 . H1' parsed_1exl 1
166 1 2 . . . . . . . . STR2 4 . H2 parsed_1exl 1
167 1 1 . . . . . . . . STR2 2 . H1' parsed_1exl 1
167 1 2 . . . . . . . . STR1 10 . H2 parsed_1exl 1
168 1 1 . . . . . . . . STR1 11 . H5 parsed_1exl 1
168 1 2 . . . . . . . . STR1 10 . H2'' parsed_1exl 1
169 1 1 . . . . . . . . STR2 1 . H1' parsed_1exl 1
169 1 2 . . . . . . . . STR2 2 . H6 parsed_1exl 1
170 1 1 . . . . . . . . STR1 2 . H1' parsed_1exl 1
170 1 2 . . . . . . . . STR1 3 . H8 parsed_1exl 1
171 1 1 . . . . . . . . STR1 4 . H2'' parsed_1exl 1
171 1 2 . . . . . . . . STR1 5 . H8 parsed_1exl 1
172 1 1 . . . . . . . . STR2 6 . H2' parsed_1exl 1
172 1 2 . . . . . . . . STR2 7 . H6 parsed_1exl 1
173 1 1 . . . . . . . . STR2 8 . H2' parsed_1exl 1
173 1 2 . . . . . . . . STR2 9 . H5 parsed_1exl 1
174 1 1 . . . . . . . . STR2 2 . H3' parsed_1exl 1
174 1 2 . . . . . . . . STR2 2 . H6 parsed_1exl 1
175 1 1 . . . . . . . . STR2 7 . H6 parsed_1exl 1
175 1 2 . . . . . . . . STR2 6 . H6 parsed_1exl 1
176 1 1 . . . . . . . . STR1 7 . H8 parsed_1exl 1
176 1 2 . . . . . . . . STR1 8 . H6 parsed_1exl 1
177 1 1 . . . . . . . . STR1 10 . H1' parsed_1exl 1
177 1 2 . . . . . . . . STR1 11 . H1' parsed_1exl 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 . . . . . 3.610 3.610-$noe_dev_long 3.610+$noe_dev_long parsed_1exl 1
2 1 . . . . . 3.135 3.135-$noe_dev_long 3.135+$noe_dev_long parsed_1exl 1
3 1 . . . . . 3.505 3.505-$noe_dev_long 3.505+$noe_dev_long parsed_1exl 1
4 1 . . . . . 2.315 2.315-$noe_dev_shrt 2.315+$noe_dev_shrt parsed_1exl 1
5 1 . . . . . 2.375 2.375-$noe_dev_shrt 2.375+$noe_dev_shrt parsed_1exl 1
6 1 . . . . . 2.280 2.280-$noe_dev_shrt 2.280+$noe_dev_shrt parsed_1exl 1
7 1 . . . . . 2.080 2.080-$noe_dev_shrt 2.080+$noe_dev_shrt parsed_1exl 1
8 1 . . . . . 2.725 2.725-$noe_dev_shrt 2.725+$noe_dev_shrt parsed_1exl 1
9 1 . . . . . 2.165 2.165-$noe_dev_shrt 2.165+$noe_dev_shrt parsed_1exl 1
10 1 . . . . . 2.045 2.045-$noe_dev_shrt 2.045+$noe_dev_shrt parsed_1exl 1
11 1 . . . . . 2.945 2.945-$noe_dev_shrt 2.945+$noe_dev_shrt parsed_1exl 1
12 1 . . . . . 2.935 2.935-$noe_dev_shrt 2.935+$noe_dev_shrt parsed_1exl 1
13 1 . . . . . 3.575 3.575-$noe_dev_long 3.575+$noe_dev_long parsed_1exl 1
14 1 . . . . . 2.610 2.610-$noe_dev_shrt 2.610+$noe_dev_shrt parsed_1exl 1
15 1 . . . . . 2.165 2.165-$noe_dev_shrt 2.165+$noe_dev_shrt parsed_1exl 1
16 1 . . . . . 2.345 2.345-$noe_dev_shrt 2.345+$noe_dev_shrt parsed_1exl 1
17 1 . . . . . 2.430 2.430-$noe_dev_shrt 2.430+$noe_dev_shrt parsed_1exl 1
18 1 . . . . . 4.190 4.190-$noe_dev_long 4.190+$noe_dev_long parsed_1exl 1
19 1 . . . . . 4.005 4.005-$noe_dev_long 4.005+$noe_dev_long parsed_1exl 1
20 1 . . . . . 4.135 4.135-$noe_dev_shrt 4.135+$noe_dev_shrt parsed_1exl 1
21 1 . . . . . 3.850 3.850-$noe_dev_shrt 3.850+$noe_dev_shrt parsed_1exl 1
22 1 . . . . . 4.135 4.135-$noe_dev_shrt 4.135+$noe_dev_shrt parsed_1exl 1
23 1 . . . . . 3.730 3.730-$noe_dev_long 3.730+$noe_dev_long parsed_1exl 1
24 1 . . . . . 4.655 4.655-$noe_dev_long 4.655+$noe_dev_long parsed_1exl 1
25 1 . . . . . 3.625 3.625-$noe_dev_long 3.625+$noe_dev_long parsed_1exl 1
26 1 . . . . . 4.000 4.000-$noe_dev_long 4.000+$noe_dev_long parsed_1exl 1
27 1 . . . . . 4.030 4.030-$noe_dev_shrt 4.030+$noe_dev_shrt parsed_1exl 1
28 1 . . . . . 4.240 4.240-$noe_dev_shrt 4.240+$noe_dev_shrt parsed_1exl 1
29 1 . . . . . 5.000 5.000-$noe_dev_long 5.000+$noe_dev_long parsed_1exl 1
30 1 . . . . . 4.070 4.070-$noe_dev_shrt 4.070+$noe_dev_shrt parsed_1exl 1
31 1 . . . . . 4.045 4.045-$noe_dev_long 4.045+$noe_dev_long parsed_1exl 1
32 1 . . . . . 3.925 3.925-$noe_dev_long 3.925+$noe_dev_long parsed_1exl 1
33 1 . . . . . 3.505 3.505-$noe_dev_shrt 3.505+$noe_dev_shrt parsed_1exl 1
34 1 . . . . . 3.860 3.860-$noe_dev_shrt 3.860+$noe_dev_shrt parsed_1exl 1
35 1 . . . . . 3.725 3.725-$noe_dev_shrt 3.725+$noe_dev_shrt parsed_1exl 1
36 1 . . . . . 4.850 4.850-$noe_dev_shrt 4.850+$noe_dev_shrt parsed_1exl 1
37 1 . . . . . 4.850 4.850-$noe_dev_shrt 4.850+$noe_dev_shrt parsed_1exl 1
38 1 . . . . . 4.000 4.000-$noe_dev_long 4.000+$noe_dev_long parsed_1exl 1
39 1 . . . . . 4.000 4.000-$noe_dev_long 4.000+$noe_dev_long parsed_1exl 1
40 1 . . . . . 4.525 4.525-$noe_dev_long 4.525+$noe_dev_long parsed_1exl 1
41 1 . . . . . 5.000 5.000-$noe_dev_long 5.000+$noe_dev_long parsed_1exl 1
42 1 . . . . . 5.000 5.000-$noe_dev_long 5.000+$noe_dev_long parsed_1exl 1
43 1 . . . . . 3.555 3.555-$noe_dev_shrt 3.555+$noe_dev_shrt parsed_1exl 1
44 1 . . . . . 3.380 3.380-$noe_dev_shrt 3.380+$noe_dev_shrt parsed_1exl 1
45 1 . . . . . 3.510 3.510-$noe_dev_shrt 3.510+$noe_dev_shrt parsed_1exl 1
46 1 . . . . . 4.070 4.070-$noe_dev_shrt 4.070+$noe_dev_shrt parsed_1exl 1
47 1 . . . . . 4.240 4.240-$noe_dev_shrt 4.240+$noe_dev_shrt parsed_1exl 1
48 1 . . . . . 5.000 5.000-$noe_dev_long 5.000+$noe_dev_long parsed_1exl 1
49 1 . . . . . 3.420 3.420-$noe_dev_shrt 3.420+$noe_dev_shrt parsed_1exl 1
50 1 . . . . . 3.495 3.495-$noe_dev_shrt 3.495+$noe_dev_shrt parsed_1exl 1
51 1 . . . . . 3.645 3.645-$noe_dev_shrt 3.645+$noe_dev_shrt parsed_1exl 1
52 1 . . . . . 2.345 2.345-$noe_dev_shrt 2.345+$noe_dev_shrt parsed_1exl 1
53 1 . . . . . 2.135 2.135-$noe_dev_shrt 2.135+$noe_dev_shrt parsed_1exl 1
54 1 . . . . . 2.090 2.090-$noe_dev_shrt 2.090+$noe_dev_shrt parsed_1exl 1
55 1 . . . . . 1.670 1.670-$noe_dev_shrt 1.670+$noe_dev_shrt parsed_1exl 1
56 1 . . . . . 2.200 2.200-$noe_dev_shrt 2.200+$noe_dev_shrt parsed_1exl 1
57 1 . . . . . 1.655 1.655-$noe_dev_shrt 1.655+$noe_dev_shrt parsed_1exl 1
58 1 . . . . . 3.210 3.210-$noe_dev_shrt 3.210+$noe_dev_shrt parsed_1exl 1
59 1 . . . . . 3.290 3.290-$noe_dev_long 3.290+$noe_dev_long parsed_1exl 1
60 1 . . . . . 4.210 4.210-$noe_dev_long 4.210+$noe_dev_long parsed_1exl 1
61 1 . . . . . 1.680 1.680-$noe_dev_shrt 1.680+$noe_dev_shrt parsed_1exl 1
62 1 . . . . . 2.300 2.300-$noe_dev_shrt 2.300+$noe_dev_shrt parsed_1exl 1
63 1 . . . . . 2.345 2.345-$noe_dev_shrt 2.345+$noe_dev_shrt parsed_1exl 1
64 1 . . . . . 2.195 2.195-$noe_dev_shrt 2.195+$noe_dev_shrt parsed_1exl 1
65 1 . . . . . 1.855 1.855-$noe_dev_shrt 1.855+$noe_dev_shrt parsed_1exl 1
66 1 . . . . . 3.760 3.760-$noe_dev_shrt 3.760+$noe_dev_shrt parsed_1exl 1
67 1 . . . . . 2.090 2.090-$noe_dev_shrt 2.090+$noe_dev_shrt parsed_1exl 1
68 1 . . . . . 2.620 2.620-$noe_dev_shrt 2.620+$noe_dev_shrt parsed_1exl 1
69 1 . . . . . 2.225 2.225-$noe_dev_shrt 2.225+$noe_dev_shrt parsed_1exl 1
70 1 . . . . . 2.325 2.325-$noe_dev_shrt 2.325+$noe_dev_shrt parsed_1exl 1
71 1 . . . . . 1.795 1.795-$noe_dev_shrt 1.795+$noe_dev_shrt parsed_1exl 1
72 1 . . . . . 3.755 3.755-$noe_dev_shrt 3.755+$noe_dev_shrt parsed_1exl 1
73 1 . . . . . 4.385 4.385-$noe_dev_xtra 4.385+$noe_dev_xtra parsed_1exl 1
74 1 . . . . . 4.225 4.225-$noe_dev_xtra 4.225+$noe_dev_xtra parsed_1exl 1
75 1 . . . . . 5.145 5.145-$noe_dev_xtra 5.145+$noe_dev_xtra parsed_1exl 1
76 1 . . . . . 4.395 4.395-$noe_dev_xtra 4.395+$noe_dev_xtra parsed_1exl 1
77 1 . . . . . 4.520 4.520-$noe_dev_xtra 4.520+$noe_dev_xtra parsed_1exl 1
78 1 . . . . . 3.255 3.255-$noe_dev_xtra 3.255+$noe_dev_xtra parsed_1exl 1
79 1 . . . . . 4.030 4.030-$noe_dev_xtra 4.030+$noe_dev_xtra parsed_1exl 1
80 1 . . . . . 4.515 4.515-$noe_dev_xtra 4.515+$noe_dev_xtra parsed_1exl 1
81 1 . . . . . 4.180 4.180-$noe_dev_xtra 4.180+$noe_dev_xtra parsed_1exl 1
82 1 . . . . . 5.160 5.160-$noe_dev_xtra 5.160+$noe_dev_xtra parsed_1exl 1
83 1 . . . . . 2.800 2.800-$noe_dev_xtra 2.800+$noe_dev_xtra parsed_1exl 1
84 1 . . . . . 2.510 2.510-$noe_dev_xtra 2.510+$noe_dev_xtra parsed_1exl 1
85 1 . . . . . 3.390 3.390-$noe_dev_xtra 3.390+$noe_dev_xtra parsed_1exl 1
86 1 . . . . . 3.375 3.375-$noe_dev_xtra 3.375+$noe_dev_xtra parsed_1exl 1
87 1 . . . . . 4.040 4.040-$noe_dev_xtra 4.040+$noe_dev_xtra parsed_1exl 1
88 1 . . . . . 4.245 4.245-$noe_dev_xtra 4.245+$noe_dev_xtra parsed_1exl 1
89 1 . . . . . 4.605 4.605-$noe_dev_xtra 4.605+$noe_dev_xtra parsed_1exl 1
90 1 . . . . . 4.450 4.450-$noe_dev_xtra 4.450+$noe_dev_xtra parsed_1exl 1
91 1 . . . . . 4.565 4.565-$noe_dev_xtra 4.565+$noe_dev_xtra parsed_1exl 1
92 1 . . . . . 5.545 5.545-$noe_dev_xtra 5.545+$noe_dev_xtra parsed_1exl 1
93 1 . . . . . 4.140 4.140-$noe_dev_xtra 4.140+$noe_dev_xtra parsed_1exl 1
94 1 . . . . . 3.560 3.560-$noe_dev_xtra 3.560+$noe_dev_xtra parsed_1exl 1
95 1 . . . . . 4.455 4.455-$noe_dev_xtra 4.455+$noe_dev_xtra parsed_1exl 1
96 1 . . . . . 3.745 3.745-$noe_dev_xtra 3.745+$noe_dev_xtra parsed_1exl 1
97 1 . . . . . 4.760 4.760-$noe_dev_xtra 4.760+$noe_dev_xtra parsed_1exl 1
98 1 . . . . . 5.015 5.015-$noe_dev_xtra 5.015+$noe_dev_xtra parsed_1exl 1
99 1 . . . . . 2.230 2.230-$noe_dev_xtra 2.230+$noe_dev_xtra parsed_1exl 1
100 1 . . . . . 2.120 2.120-$noe_dev_xtra 2.120+$noe_dev_xtra parsed_1exl 1
101 1 . . . . . 3.245 3.245-$noe_dev_xtra 3.245+$noe_dev_xtra parsed_1exl 1
102 1 . . . . . 3.485 3.485-$noe_dev_xtra 3.485+$noe_dev_xtra parsed_1exl 1
103 1 . . . . . 3.865 3.865-$noe_dev_xtra 3.865+$noe_dev_xtra parsed_1exl 1
104 1 . . . . . 4.250 4.250-$noe_dev_xtra 4.250+$noe_dev_xtra parsed_1exl 1
105 1 . . . . . 4.470 4.470-$noe_dev_xtra 4.470+$noe_dev_xtra parsed_1exl 1
106 1 . . . . . 4.915 4.915-$noe_dev_xtra 4.915+$noe_dev_xtra parsed_1exl 1
107 1 . . . . . 4.405 4.405-$noe_dev_xtra 4.405+$noe_dev_xtra parsed_1exl 1
108 1 . . . . . 4.510 4.510-$noe_dev_xtra 4.510+$noe_dev_xtra parsed_1exl 1
109 1 . . . . . 3.945 3.945-$noe_dev_shrt 3.945+$noe_dev_shrt parsed_1exl 1
110 1 . . . . . 4.700 4.700-$noe_dev_long 4.700+$noe_dev_long parsed_1exl 1
111 1 . . . . . 4.540 4.540-$noe_dev_shrt 4.540+$noe_dev_shrt parsed_1exl 1
112 1 . . . . . 4.615 4.615-$noe_dev_shrt 4.615+$noe_dev_shrt parsed_1exl 1
113 1 . . . . . 2.525 2.525-$noe_dev_shrt 2.525+$noe_dev_shrt parsed_1exl 1
114 1 . . . . . 3.205 3.205-$noe_dev_shrt 3.205+$noe_dev_shrt parsed_1exl 1
115 1 . . . . . 4.410 4.410-$noe_dev_shrt 4.410+$noe_dev_shrt parsed_1exl 1
116 1 . . . . . 3.890 3.890-$noe_dev_xtra 3.890+$noe_dev_xtra parsed_1exl 1
117 1 . . . . . 4.155 4.155-$noe_dev_xtra 4.155+$noe_dev_xtra parsed_1exl 1
118 1 . . . . . 4.575 4.575-$noe_dev_xtra 4.575+$noe_dev_xtra parsed_1exl 1
119 1 . . . . . 3.950 3.950-$noe_dev_long 3.950+$noe_dev_long parsed_1exl 1
120 1 . . . . . 3.530 3.530-$noe_dev_shrt 3.530+$noe_dev_shrt parsed_1exl 1
121 1 . . . . . 3.910 3.910-$noe_dev_long 3.910+$noe_dev_long parsed_1exl 1
122 1 . . . . . 3.550 3.550-$noe_dev_shrt 3.550+$noe_dev_shrt parsed_1exl 1
123 1 . . . . . 3.540 3.540-$noe_dev_shrt 3.540+$noe_dev_shrt parsed_1exl 1
124 1 . . . . . 3.955 3.955-$noe_dev_shrt 3.955+$noe_dev_shrt parsed_1exl 1
125 1 . . . . . 4.320 4.320-$noe_dev_shrt 4.320+$noe_dev_shrt parsed_1exl 1
126 1 . . . . . 4.195 4.195-$noe_dev_xtra 4.195+$noe_dev_xtra parsed_1exl 1
127 1 . . . . . 4.655 4.655-$noe_dev_xtra 4.655+$noe_dev_xtra parsed_1exl 1
128 1 . . . . . 4.355 4.355-$noe_dev_xtra 4.355+$noe_dev_xtra parsed_1exl 1
129 1 . . . . . 4.285 4.285-$noe_dev_xtra 4.285+$noe_dev_xtra parsed_1exl 1
130 1 . . . . . 3.115 3.115-$noe_dev_xtra 3.115+$noe_dev_xtra parsed_1exl 1
131 1 . . . . . 3.170 3.170-$noe_dev_xtra 3.170+$noe_dev_xtra parsed_1exl 1
132 1 . . . . . 4.725 4.725-$noe_dev_xtra 4.725+$noe_dev_xtra parsed_1exl 1
133 1 . . . . . 2.885 2.885-$noe_dev_xtra 2.885+$noe_dev_xtra parsed_1exl 1
134 1 . . . . . 4.400 4.400-$noe_dev_xtra 4.400+$noe_dev_xtra parsed_1exl 1
135 1 . . . . . 2.855 2.855-$noe_dev_xtra 2.855+$noe_dev_xtra parsed_1exl 1
136 1 . . . . . 2.965 2.965-$noe_dev_xtra 2.965+$noe_dev_xtra parsed_1exl 1
137 1 . . . . . 3.695 3.695-$noe_dev_xtra 3.695+$noe_dev_xtra parsed_1exl 1
138 1 . . . . . 4.145 4.145-$noe_dev_xtra 4.145+$noe_dev_xtra parsed_1exl 1
139 1 . . . . . 4.715 4.715-$noe_dev_xtra 4.715+$noe_dev_xtra parsed_1exl 1
140 1 . . . . . 3.160 3.160-$noe_dev_xtra 3.160+$noe_dev_xtra parsed_1exl 1
141 1 . . . . . 4.245 4.245-$noe_dev_xtra 4.245+$noe_dev_xtra parsed_1exl 1
142 1 . . . . . 3.295 3.295-$noe_dev_shrt 3.295+$noe_dev_shrt parsed_1exl 1
143 1 . . . . . 4.795 4.795-$noe_dev_shrt 4.795+$noe_dev_shrt parsed_1exl 1
144 1 . . . . . 3.785 3.785-$noe_dev_xtra 3.785+$noe_dev_xtra parsed_1exl 1
145 1 . . . . . 5.745 5.745-$noe_dev_xtra 5.745+$noe_dev_xtra parsed_1exl 1
146 1 . . . . . 3.500 3.500-$noe_dev_xtra 3.500+$noe_dev_xtra parsed_1exl 1
147 1 . . . . . 3.500 3.500-$noe_dev_xtra 3.500+$noe_dev_xtra parsed_1exl 1
148 1 . . . . . 3.500 3.500-$noe_dev_xtra 3.500+$noe_dev_xtra parsed_1exl 1
149 1 . . . . . 3.500 3.500-$noe_dev_xtra 3.500+$noe_dev_xtra parsed_1exl 1
150 1 . . . . . 3.500 3.500-$noe_dev_xtra 3.500+$noe_dev_xtra parsed_1exl 1
151 1 . . . . . 3.500 3.500-$noe_dev_xtra 3.500+$noe_dev_xtra parsed_1exl 1
152 1 . . . . . 3.500 3.500-$noe_dev_xtra 3.500+$noe_dev_xtra parsed_1exl 1
153 1 . . . . . 3.500 3.500-$noe_dev_xtra 3.500+$noe_dev_xtra parsed_1exl 1
154 1 . . . . . 3.500 3.500-$noe_dev_xtra 3.500+$noe_dev_xtra parsed_1exl 1
155 1 . . . . . 2.325 2.325-$noe_dev_long 2.325+$noe_dev_long parsed_1exl 1
156 1 . . . . . 3.245 3.245-$noe_dev_long 3.245+$noe_dev_long parsed_1exl 1
157 1 . . . . . 4.500 3.000 6.000 parsed_1exl 1
158 1 . . . . . 4.460 4.460-$noe_dev_shrt 4.460+$noe_dev_shrt parsed_1exl 1
159 1 . . . . . 4.890 4.890-$noe_dev_shrt 4.890+$noe_dev_shrt parsed_1exl 1
160 1 . . . . . 4.125 4.125-$noe_dev_long 4.125+$noe_dev_long parsed_1exl 1
161 1 . . . . . 2.275 2.275-$noe_dev_shrt 2.275+$noe_dev_shrt parsed_1exl 1
162 1 . . . . . 3.430 3.430-$noe_dev_shrt 3.430+$noe_dev_shrt parsed_1exl 1
163 1 . . . . . 5.870 5.870-$noe_dev_xtra 5.870+$noe_dev_xtra parsed_1exl 1
164 1 . . . . . 5.000 5.000-$noe_dev_xtra 5.000+$noe_dev_xtra parsed_1exl 1
165 1 . . . . . 3.800 3.800-$noe_dev_xtra 3.800+$noe_dev_xtra parsed_1exl 1
166 1 . . . . . 3.420 3.420-$noe_dev_shrt 3.420+$noe_dev_shrt parsed_1exl 1
167 1 . . . . . 4.250 4.250-$noe_dev_shrt 4.250+$noe_dev_shrt parsed_1exl 1
168 1 . . . . . 3.970 3.970-$noe_dev_shrt 3.970+$noe_dev_shrt parsed_1exl 1
169 1 . . . . . 4.135 4.135-$noe_dev_shrt 4.135+$noe_dev_shrt parsed_1exl 1
170 1 . . . . . 4.085 4.085-$noe_dev_shrt 4.085+$noe_dev_shrt parsed_1exl 1
171 1 . . . . . 3.455 3.455-$noe_dev_shrt 3.455+$noe_dev_shrt parsed_1exl 1
172 1 . . . . . 2.810 2.810-$noe_dev_shrt 2.810+$noe_dev_shrt parsed_1exl 1
173 1 . . . . . 4.635 4.635-$noe_dev_xtra 4.635+$noe_dev_xtra parsed_1exl 1
174 1 . . . . . 4.790 4.790-$noe_dev_shrt 4.790+$noe_dev_shrt parsed_1exl 1
175 1 . . . . . 3.750 3.750-$noe_dev_xtra 3.750+$noe_dev_xtra parsed_1exl 1
176 1 . . . . . 3.860 3.860-$noe_dev_xtra 3.860+$noe_dev_xtra parsed_1exl 1
177 1 . . . . . 3.630 3.630-$noe_dev_xtra 3.630+$noe_dev_xtra parsed_1exl 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 1 ' , H 5 --- H 2 ' , 2 ' ' !!!!!!!!!!!!!
$noe_dev_long= 0.8 Angstroms
$noe_dev_short=0.6 Angstroms
$noe_dev_xtra= 0.8 Angstroms
cen_larg
;
1 1 6 11 parsed_1exl 1
2 cen_norm 11 1 11 11 parsed_1exl 1
3 cen_small 19 1 19 12 parsed_1exl 1
4 next_small 27 1 27 13 parsed_1exl 1
5 prev_norm 51 1 51 12 parsed_1exl 1
6 prev_small 57 1 57 13 parsed_1exl 1
7
;
!!!!!!!!!!!!!!!!!!! H 1 ' --- H 3 ' !!!!!!!!!!!!!!!!!!!!!!
next_norm
;
74 1 77 12 parsed_1exl 1
8 next_small 86 1 86 13 parsed_1exl 1
9 prev_small 95 1 95 13 parsed_1exl 1
10
;
!!!!!!!!!!!!!!!! B A S E --- H 1 ' , H 3 ' !!!!!!!!!!!!!!!!!!
cen_norm
;
102 1 105 11 parsed_1exl 1
11
;
no way that h1'-h8 is 4.97 A long
err ( resid 6 and name H8 and segid STR1 ) 4.970 $noe_dev_long $noe_dev_long
cen_small
;
118 1 122 12 parsed_1exl 1
12 "err ( resid 6 and name H2 and segid STR1 ) 5.475 $noe_dev_shrt $noe_dev_shrt" 132 1 132 78 parsed_1exl 1
13 next_norm 138 1 138 12 parsed_1exl 1
14 next_small 147 1 147 13 parsed_1exl 1
15 prev_norm 165 1 165 12 parsed_1exl 1
16
;
no way that h1'-h8 is 4.97 A long
err ( resid 2 and name H8 and segid STR1 ) 5.080 $noe_dev_long $noe_dev_long
;
169 1 170 78 parsed_1exl 1
17
;
no way that h1'-h8 is 4.97 A long
err ( resid 3 and name H8 and segid STR1 ) 4.970 $noe_dev_long $noe_dev_long
;
174 1 175 78 parsed_1exl 1
18
;
err ( resid 2 and name H2 and segid STR1 ) 5.380 $noe_dev_long $noe_dev_long
prev_small
;
182 1 185 13 parsed_1exl 1
19 "err ( resid 4 and name H6 and segid STR1 ) 5.785 $noe_dev_shrt $noe_dev_shrt" 189 1 189 78 parsed_1exl 1
20
;
err ( resid 8 and name H2 and segid STR2 ) 5.300 $noe_dev_shrt $noe_dev_shrt
!!!!!!!!!! B A S E --- H 2 ' , 2 ' ' , C H 3 ' !!!!!!!!!!!!!
cen_small
;
208 1 216 12 parsed_1exl 1
21 next_norm 249 1 249 12 parsed_1exl 1
22 next_small 258 1 258 13 parsed_1exl 1
23 prev_small 276 1 276 13 parsed_1exl 1
24
;
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
Here I'm adding 0.5 Angstrom to all dists.
remarks FILE:: dar_300ms_cen_small
remarks id=11 center=6 model=dar_300ms
remarks: d
remarks base --- 3' 5
;
301 1 307 23 parsed_1exl 1
25 "( resid 4 and name H3' and segid STR2 ) 3.885 $noe_dev_xtra $noe_dev_xtra" 311 1 311 82 parsed_1exl 1
26
;
( resid 6 and name H6 and segid STR2 ) 3.725 $noe_dev_xtra $noe_dev_xtra
remarks: e
remarks base --- 1'
Taken off because the dist is in dar_Bform_violations.noe
assign ( resid 4 and name H1' and segid STR2 )
( resid 5 and name H6 and segid STR2 ) 3.465 $noe_dev_xtra $noe_dev_xtra
( resid 5 and name H6 and segid STR2 ) 2.965 $noe_dev_xtra $noe_dev_xtra
remarks: f
remarks base --- base
;
315 1 326 23 parsed_1exl 1
27
;
( resid 4 and name H6 and segid STR1 ) 4.645 $noe_dev_xtra $noe_dev_xtra
remarks: j
remarks 1' --- 3' 5
remarks: k
remarks 1' --- 1'
remarks: l
remarks 5 --- CH3
;
330 1 339 19 parsed_1exl 1
28 "( resid 5 and name H5 and segid STR2 ) 3.895 $noe_dev_xtra $noe_dev_xtra" 343 1 343 81 parsed_1exl 1
29
;
( resid 6 and name H5# and segid STR2 ) 4.020 $noe_dev_xtra $noe_dev_xtra
remarks: m
remarks 5 --- 2' 2''
remarks: *
remarks any --- other
;
347 1 353 23 parsed_1exl 1
30
;
( resid 6 and name H8 and segid STR1 ) 2.755 $noe_dev_xtra $noe_dev_xtra
remarks FILE:: dar_300ms_next_small
remarks id=11 center=6 model=dar_300ms
remarks: d
remarks base --- 3' 5
;
357 1 363 23 parsed_1exl 1
31 "( resid 11 and name H3' and segid STR1 ) 3.530 $noe_dev_xtra $noe_dev_xtra" 367 1 367 83 parsed_1exl 1
32 "( resid 11 and name H6 and segid STR1 ) 4.015 $noe_dev_xtra $noe_dev_xtra" 371 1 371 82 parsed_1exl 1
33
;
( resid 3 and name H8 and segid STR2 ) 3.680 $noe_dev_xtra $noe_dev_xtra
remarks: e
remarks base --- 1'
remarks: f
remarks base --- base
;
375 1 381 23 parsed_1exl 1
34
;
( resid 8 and name H6 and segid STR1 ) 4.660 $noe_dev_xtra $noe_dev_xtra
remarks: h
remarks 1' --- 2' 2''
;
385 1 388 23 parsed_1exl 1
35 "( resid 2 and name H1' and segid STR2 ) 2.300 $noe_dev_xtra $noe_dev_xtra" 392 1 392 82 parsed_1exl 1
36
;
( resid 1 and name H2'' and segid STR2 ) 2.010 $noe_dev_xtra $noe_dev_xtra
remarks: i
remarks 1' --- 4' 5' 5''
;
396 1 399 26 parsed_1exl 1
37 "( resid 10 and name H4' and segid STR1 ) 2.890 $noe_dev_xtra $noe_dev_xtra" 403 1 403 83 parsed_1exl 1
38
;
( resid 4 and name H4' and segid STR2 ) 2.875 $noe_dev_xtra $noe_dev_xtra
remarks: j
remarks 1' --- 3' 5
;
407 1 410 21 parsed_1exl 1
39 "( resid 11 and name H1' and segid STR1 ) 3.540 $noe_dev_xtra $noe_dev_xtra" 414 1 414 83 parsed_1exl 1
40
;
( resid 2 and name H1' and segid STR2 ) 3.745 $noe_dev_xtra $noe_dev_xtra
remarks: k
remarks 1' --- 1'
remarks: l
remarks 5 --- CH3
;
418 1 424 19 parsed_1exl 1
41
;
( resid 9 and name H5 and segid STR1 ) 4.105 $noe_dev_xtra $noe_dev_xtra
remarks: p
remarks 3' --- 4' 5' 5''
remarks: *
remarks any --- other
;
428 1 434 23 parsed_1exl 1
42 "( resid 10 and name H2 and segid STR1 ) 3.950 $noe_dev_xtra $noe_dev_xtra" 438 1 438 82 parsed_1exl 1
43
;
( resid 10 and name H2 and segid STR1 ) 4.065 $noe_dev_xtra $noe_dev_xtra
Taken off. It's present in dar_d2o.noe
assign ( resid 4 and name H1' and segid STR2 )
( resid 4 and name H2 and segid STR2 ) 4.590 $noe_dev_xtra $noe_dev_xtra
( resid 4 and name H2 and segid STR2 ) 4.090 $noe_dev_xtra $noe_dev_xtra
;
442 1 447 81 parsed_1exl 1
44
;
( resid 4 and name H2 and segid STR2 ) 5.045 $noe_dev_xtra $noe_dev_xtra
remarks FILE:: dar_300ms_prev_small
remarks id=11 center=6 model=dar_300ms
remarks: b
remarks base --- 2' 2''
;
451 1 457 25 parsed_1exl 1
45 "( resid 4 and name H6 and segid STR1 ) 3.640 $noe_dev_xtra $noe_dev_xtra" 461 1 461 81 parsed_1exl 1
46
;
( resid 4 and name H6 and segid STR1 ) 3.060 $noe_dev_xtra $noe_dev_xtra
remarks: d
remarks base --- 3' 5
ss B4.22. The original value was better.
assign ( resid 3 and name H8 and segid STR1 )
( resid 3 and name H3' and segid STR1 ) 4.955 $noe_dev_xtra $noe_dev_xtra
( resid 3 and name H3' and segid STR1 ) 4.455 $noe_dev_xtra $noe_dev_xtra
;
465 1 473 82 parsed_1exl 1
47
;
( resid 9 and name H6 and segid STR2 ) 3.955 $noe_dev_xtra $noe_dev_xtra
remarks: e
remarks base --- 1'
;
477 1 480 21 parsed_1exl 1
48
;
( resid 4 and name H6 and segid STR1 ) 3.245 $noe_dev_xtra $noe_dev_xtra
remarks: f
remarks base --- base
;
484 1 487 23 parsed_1exl 1
49 "( resid 3 and name H8 and segid STR1 ) 4.260 $noe_dev_xtra $noe_dev_xtra" 491 1 491 81 parsed_1exl 1
50
;
( resid 3 and name H8 and segid STR1 ) 4.515 $noe_dev_xtra $noe_dev_xtra
Alarm!!! Zero-distance!!!
assign ( resid 10 and name H6 and segid STR2 )
( resid 11 and name H8 and segid STR2 ) 0.000 $noe_dev_xtra $noe_dev_xtra
( resid 11 and name H8 and segid STR2 ) 0.000 $noe_dev_xtra $noe_dev_xtra
remarks: g
remarks 1' --- CH3
remarks: h
remarks 1' --- 2' 2''
;
495 1 506 23 parsed_1exl 1
51 "( resid 10 and name H1' and segid STR2 ) 1.730 $noe_dev_xtra $noe_dev_xtra" 510 1 510 83 parsed_1exl 1
52
;
( resid 2 and name H2'' and segid STR1 ) 1.620 $noe_dev_xtra $noe_dev_xtra
remarks: i
remarks 1' --- 4' 5' 5''
;
514 1 517 26 parsed_1exl 1
53 "( resid 3 and name H1' and segid STR1 ) 2.745 $noe_dev_xtra $noe_dev_xtra" 521 1 521 82 parsed_1exl 1
54
;
( resid 11 and name H1' and segid STR2 ) 2.985 $noe_dev_xtra $noe_dev_xtra
remarks: j
remarks 1' --- 3' 5
;
525 1 528 21 parsed_1exl 1
55
;
( resid 3 and name H1' and segid STR1 ) 3.365 $noe_dev_xtra $noe_dev_xtra
remarks: k
remarks 1' --- 1'
;
532 1 535 19 parsed_1exl 1
56
;
( resid 9 and name H1' and segid STR2 ) 3.750 $noe_dev_xtra $noe_dev_xtra
remarks: l
remarks 5 --- CH3
;
539 1 542 19 parsed_1exl 1
57
;
( resid 9 and name H5 and segid STR2 ) 3.970 $noe_dev_xtra $noe_dev_xtra
remarks: m
remarks 5 --- 2' 2''
;
546 1 549 22 parsed_1exl 1
58
;
( resid 1 and name H2' and segid STR1 ) 3.515 $noe_dev_xtra $noe_dev_xtra
remarks: p
remarks 3' --- 4' 5' 5''
remarks: *
remarks any --- other
;
553 1 559 23 parsed_1exl 1
59 "( resid 2 and name H2 and segid STR1 ) 3.905 $noe_dev_xtra $noe_dev_xtra" 563 1 563 81 parsed_1exl 1
60
;
( resid 2 and name H2 and segid STR1 ) 4.010 $noe_dev_xtra $noe_dev_xtra
!!!!!!!!!!!!!!!!!
B -- F O R M V I O L A T I O N S from the BUILD-UP data
!!!!!!!!!!!!!!!!!
ss B3.24
ss A3.02
;
567 1 576 10 parsed_1exl 1
61
;
ss B3.82. Deviations too small.
ss A3.88. Deviations too small.
;
580 1 581 33 parsed_1exl 1
62
;
by analogy with C18_H5-T17_H6. the volumes are roughly equal at 250ms noesy.
err ( resid 8 and name H6 and segid STR1 ) 5.000 $noe_dev_shrt $noe_dev_shrt
ss B3.91. Deviations too small.
ss A3.81. Deviations too small.
;
584 1 588 33 parsed_1exl 1
63
;
ss B3.88. Deviations too small.
ss A3.78. Deviations too small.
;
592 1 593 33 parsed_1exl 1
64
;
ss B3.42. Deviations too small.
ss A4.45. Deviations too small.
;
597 1 598 33 parsed_1exl 1
65
;
ss B2.28. Deviations too small.
ss A1.65. Deviations too small.
;
602 1 603 33 parsed_1exl 1
66
;
ss B3.68. Deviations too small.
ss A3.29. Deviations too small.
;
607 1 608 33 parsed_1exl 1
67
;
!!!!!!!!!!!!!!!!!
B -- F O R M V I O L A T I O N S from the 300ms data
!!!!!!!!!!!!!!!!!
ss B4.92. Deviations too small.
ss A5.75. Deviations too small.
;
613 1 620 33 parsed_1exl 1
68
;
( resid 5 and name H1' and segid STR2 ) 3.390 $noe_dev_xtra $noe_dev_xtra
ss B3.24. Deviations too small. The original value was better.
ss A3.02. Deviations too small. The original value was better.
;
623 1 626 64 parsed_1exl 1
69
;
( resid 5 and name H5 and segid STR2 ) 3.655 $noe_dev_xtra $noe_dev_xtra
ss B3.91. The original value was better.
ss A3.81. Deviations too small. The original value was better.
;
629 1 632 64 parsed_1exl 1
70
;
( resid 1 and name H8 and segid STR2 ) 4.075 $noe_dev_xtra $noe_dev_xtra
!!!!!!!!!!!!!!!!!
B -- F O R M V I O L A T I O N S from the BUILD-UP data
!!!!!!!!!!!!!!!!!
ss B2.83: in B-form this dist is 2.83 A as Insight tells. Deviations too small.
ss A4.76: in A-form this dist is 2.83 A as Insight tells. Deviations too small.
;
635 1 644 81 parsed_1exl 1
71
;
ss B2.80. Deviations too small.
ss A4.07. Deviations too small.
;
648 1 649 33 parsed_1exl 1
72 "ss B2.80. Deviations too small." 653 1 653 33 parsed_1exl 1
73
;
ss B2.83. Deviations too small.
ss A4.12. Deviations too small.
;
657 1 658 33 parsed_1exl 1
74
;
ss B2.80. Deviations too small.
ss A4.07. Deviations too small.
;
662 1 663 33 parsed_1exl 1
75 "ss B3.42. Deviations too small." 667 1 667 33 parsed_1exl 1
76 "ss B3.70. Deviations too small." 671 1 671 33 parsed_1exl 1
77
;
!!!!!!!!!!!!!!!!!
B -- F O R M V I O L A T I O N S from the 300ms data
!!!!!!!!!!!!!!!!!
ss B5.19. Deviations too small.
;
676 1 682 33 parsed_1exl 1
78
;
( resid 5 and name H6 and segid STR2 ) 3.695 $noe_dev_xtra $noe_dev_xtra
ss B3.69. Deviations too small. The original value was better.
;
685 1 687 64 parsed_1exl 1
79
;
( resid 5 and name H5 and segid STR2 ) 4.155 $noe_dev_xtra $noe_dev_xtra
ss The original value was better.
ss A2.63. Deviations too small. The original value was better.
;
690 1 693 64 parsed_1exl 1
80
;
( resid 8 and name H6 and segid STR1 ) 3.855 $noe_dev_xtra $noe_dev_xtra
Taken off because the dist is in the Build-Up part of the file
ss B2.80. The original value was better.
assign ( resid 10 and name H1' and segid STR1 )
( resid 11 and name H6 and segid STR1 ) 3.570 $noe_dev_xtra $noe_dev_xtra
( resid 11 and name H6 and segid STR1 ) 3.070 $noe_dev_xtra $noe_dev_xtra
ss B5.19. Deviations too small.
;
696 1 704 33 parsed_1exl 1
81
;
( resid 11 and name H6 and segid STR1 ) 3.785 $noe_dev_xtra $noe_dev_xtra
ss B3.93. Deviations too small.
;
707 1 709 33 parsed_1exl 1
82
;
( resid 4 and name H3' and segid STR2 ) 2.615 $noe_dev_xtra $noe_dev_xtra
ss B2.65. The original value was better.
;
712 1 714 42 parsed_1exl 1
83
;
( resid 4 and name H3' and segid STR2 ) 2.670 $noe_dev_xtra $noe_dev_xtra
ss The build-up based calculation gives 4.250 A.
;
717 1 719 50 parsed_1exl 1
84
;
( resid 10 and name H2 and segid STR1 ) 4.225 $noe_dev_xtra $noe_dev_xtra
ss B1.88. Deviations too small. The original value was better.
ss A3.78. Deviations too small.
;
722 1 725 33 parsed_1exl 1
85
;
( resid 1 and name H2' and segid STR1 ) 2.385 $noe_dev_xtra $noe_dev_xtra
ss B3.42. Deviations too small. The original value was better.
;
728 1 730 64 parsed_1exl 1
86
;
( resid 1 and name H6 and segid STR1 ) 3.900 $noe_dev_xtra $noe_dev_xtra
ss B1.87. Deviations too small. The original value was better.
ss A3.77. Deviations too small.
;
733 1 736 33 parsed_1exl 1
87
;
( resid 4 and name H6 and segid STR1 ) 2.355 $noe_dev_xtra $noe_dev_xtra
ss B2.36. The original value was better.
;
739 1 741 42 parsed_1exl 1
88
;
( resid 9 and name H6 and segid STR2 ) 2.465 $noe_dev_xtra $noe_dev_xtra
ss B2.83. The original value was better.
;
744 1 746 42 parsed_1exl 1
89
;
( resid 10 and name H1' and segid STR2 ) 3.195 $noe_dev_xtra $noe_dev_xtra
Taken off because the dist is in the Build-Up part of the file
ss B2.83. The original value was better.
assign ( resid 8 and name H1' and segid STR2 )
( resid 9 and name H6 and segid STR2 ) 3.570 $noe_dev_xtra $noe_dev_xtra
( resid 9 and name H6 and segid STR2 ) 3.070 $noe_dev_xtra $noe_dev_xtra
ss B5.19. Deviations too small.
;
749 1 757 33 parsed_1exl 1
90
;
( resid 9 and name H6 and segid STR2 ) 3.645 $noe_dev_xtra $noe_dev_xtra
ss B3.93. Deviations too small. The original value was better.
;
760 1 762 64 parsed_1exl 1
91
;
( resid 9 and name H5 and segid STR2 ) 4.215 $noe_dev_xtra $noe_dev_xtra
ss B3.24. The original value was better.
;
765 1 767 42 parsed_1exl 1
92
;
( resid 3 and name H3' and segid STR1 ) 2.660 $noe_dev_xtra $noe_dev_xtra
ss B3.24. Deviations too small.
ss A5.40. Deviations too small.
;
770 1 773 33 parsed_1exl 1
93
;
( resid 2 and name H2 and segid STR1 ) 3.745 $noe_dev_xtra $noe_dev_xtra
!!!!!!!!!!!!!!!!!
G O O D A B -- F O R M V I O L A T I O N S
!!!!!!!!!!!!!!!!!
ss B3.93. Deviations too small.
ss A3.85. Deviations too small.
;
776 1 786 33 parsed_1exl 1
94
;
ss B4.22. Deviations too small.
ss A2.87. Deviations too small.
;
790 1 791 33 parsed_1exl 1
95
;
ss B3.03. The original value was better.
ss A2.79. Deviations too small. The original value was better.
;
795 1 796 64 parsed_1exl 1
96
;
( resid 1 and name H2' and segid STR1 ) 3.285 $noe_dev_xtra $noe_dev_xtra
ss B5.01. The original value was better.
ss A4.67. Deviations too small. The original value was better.
;
799 1 802 64 parsed_1exl 1
97
;
( resid 2 and name H2 and segid STR1 ) 5.245 $noe_dev_xtra $noe_dev_xtra
1st Strand
;
805 1 807 12 parsed_1exl 1
98 "2nd Strand" 822 1 822 12 parsed_1exl 1
99
;
! Swaped
ss B3.70. Deviations too small.
ss A4.71. Deviations too small.
limits extended
taken off
;
839 1 844 11 parsed_1exl 1
100
;
( resid 11 and name H8 and segid STR2 ) 2.325 $noe_dev_shrt $noe_dev_shrt
ss B2.20. Deviations too small.
ss A3.93. Deviations too small.
;
847 1 850 33 parsed_1exl 1
101
;
( resid 11 and name H8 and segid STR2 ) 3.245 $noe_dev_shrt $noe_dev_shrt
! Swaped
taken off
distance and +/- correction based on dynamics violation and sugar 3D structure
;
853 1 859 80 parsed_1exl 1
102
;
( resid 5 and name H8 and segid STR1 ) 5.00 $noe_dev_long $noe_dev_long
err ( resid 5 and name H8 and segid STR1 ) 5.700 $noe_dev_shrt $noe_dev_shrt
ss B2.83. Deviations too small.
taken off
;
862 1 866 11 parsed_1exl 1
103
;
ss B2.80. Deviations too small.
ss A4.06. Deviations too small.
taken off
;
870 1 872 11 parsed_1exl 1
104
;
ss B2.81. Deviations too small.
limits extended
taken off
;
876 1 878 11 parsed_1exl 1
105
;
( resid 4 and name H6 and segid STR1 ) 4.125 $noe_dev_shrt $noe_dev_shrt
ss B2.81. Deviations too small. The original value was better.
taken off
assign ( resid 4 and name H6 and segid STR1 )
( resid 3 and name H1' and segid STR1 ) 4.055 $noe_dev_xtra $noe_dev_xtra
( resid 3 and name H1' and segid STR1 ) 3.555 $noe_dev_xtra $noe_dev_xtra
ss B3.86. Deviations too small.
ss A1.57. Deviations too small.
taken off
;
881 1 891 11 parsed_1exl 1
106 "ss B2.20. Deviations too small." 895 1 895 33 parsed_1exl 1
107
;
ss B3.84. Deviations too small. The original value was better.
ss A4.88. Deviations too small. The original value was better.
taken off
;
899 1 901 11 parsed_1exl 1
108
;
( resid 3 and name H1' and segid STR1 ) 5.370 $noe_dev_xtra $noe_dev_xtra
ss B5.43. Deviations too small.
ss A5.36. Deviations too small.
taken off
distance correction based on dynamics violation and base-sugar 3D structure
;
904 1 909 77 parsed_1exl 1
109
;
( resid 1 and name H5 and segid STR1 ) 3.830 $noe_dev_xtra $noe_dev_xtra
( resid 1 and name H5 and segid STR1 ) 3.330 $noe_dev_xtra $noe_dev_xtra
ss B3.93. Deviations too small. The original value was better.
ss A3.85. Deviations too small. The original value was better.
taken off
distance correction based on dynamics violation and sugar 3D structure
;
912 1 918 72 parsed_1exl 1
110
;
( resid 2 and name H3' and segid STR1 ) 5.400 $noe_dev_xtra $noe_dev_xtra
( resid 2 and name H3' and segid STR1 ) 4.900 $noe_dev_xtra $noe_dev_xtra
ss B4.56. Deviations too small.
ss A3.96. Deviations too small.
;
921 1 925 33 parsed_1exl 1
111
;
ss B5.30. Deviations too small.
ss A5.40. Deviations too small.
;
929 1 930 33 parsed_1exl 1
112
;
ss B2.83. Deviations too small.
ss A4.76. Deviations too small.
;
934 1 935 33 parsed_1exl 1
113 "ss B2.81: in B-form this dist is 2.83 A as Insight tells. Deviations too small." 939 1 939 81 parsed_1exl 1
114 "ss B2.83. Deviations too small." 943 1 943 33 parsed_1exl 1
115 "ss B2.28. Deviations too small." 947 1 947 33 parsed_1exl 1
116
;
ss B3.86. Deviations too small.
ss A1.57. Deviations too small.
;
951 1 952 33 parsed_1exl 1
117
;
ss B3.24. Deviations too small. The original value was better.
ss A3.03. Deviations too small. The original value was better.
;
956 1 957 64 parsed_1exl 1
118
;
( resid 9 and name H5 and segid STR2 ) 4.135 $noe_dev_xtra $noe_dev_xtra
ss B3.84. Deviations too small.
ss A2.63. Deviations too small.
;
960 1 963 33 parsed_1exl 1
119
;
ss B5.05. Deviations too small.
ss A4.80. Deviations too small.
;
967 1 968 33 parsed_1exl 1
120
;
( resid 6 and name H6 and segid STR2 ) 3.250 $noe_dev_xtra $noe_dev_xtra
ss B5.22. Deviations too small.
ss A4.87. Deviations too small.
;
971 1 974 33 parsed_1exl 1
121
;
( resid 8 and name H6 and segid STR1 ) 3.360 $noe_dev_xtra $noe_dev_xtra
ss B4.92. Deviations too small.
ss A5.75. Deviations too small.
;
977 1 980 33 parsed_1exl 1
122 "( resid 11 and name H1' and segid STR1 ) 3.130 $noe_dev_xtra $noe_dev_xtra" 983 1 983 83 parsed_1exl 1
stop_
save_
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