NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
611232 |
2nbi   |
4958 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 118 |
data_2nbi_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2nbi
_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_2nbi 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2nbi
_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 2nbi "Master copy" parsed_2nbi
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2nbi
_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 2nbi.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2nbi 1
1 2nbi.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 118 parsed_2nbi 1
1 2nbi.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2nbi 1
1 2nbi.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2nbi 1
1 2nbi.mr . . XPLOR/CNS 5 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2nbi 1
1 2nbi.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2nbi 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2nbi
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_2nbi 1
2 1 . . . parsed_2nbi 1
3 1 . . . parsed_2nbi 1
4 1 . . . parsed_2nbi 1
5 1 . . . parsed_2nbi 1
6 1 . . . parsed_2nbi 1
7 1 . . . parsed_2nbi 1
8 1 . . . parsed_2nbi 1
9 1 . . . parsed_2nbi 1
10 1 . . . parsed_2nbi 1
11 1 . . . parsed_2nbi 1
12 1 . . . parsed_2nbi 1
13 1 . . . parsed_2nbi 1
14 1 . . . parsed_2nbi 1
15 1 . . . parsed_2nbi 1
16 1 . . . parsed_2nbi 1
17 1 . . . parsed_2nbi 1
18 1 . . . parsed_2nbi 1
19 1 . . . parsed_2nbi 1
20 1 . . . parsed_2nbi 1
21 1 . . . parsed_2nbi 1
22 1 . . . parsed_2nbi 1
23 1 . . . parsed_2nbi 1
24 1 . . . parsed_2nbi 1
25 1 . . . parsed_2nbi 1
26 1 . . . parsed_2nbi 1
27 1 . . . parsed_2nbi 1
28 1 . . . parsed_2nbi 1
29 1 . . . parsed_2nbi 1
30 1 . . . parsed_2nbi 1
31 1 . . . parsed_2nbi 1
32 1 . . . parsed_2nbi 1
33 1 . . . parsed_2nbi 1
34 1 . . . parsed_2nbi 1
35 1 . . . parsed_2nbi 1
36 1 . . . parsed_2nbi 1
37 1 . . . parsed_2nbi 1
38 1 . . . parsed_2nbi 1
39 1 . . . parsed_2nbi 1
40 1 . . . parsed_2nbi 1
41 1 . . . parsed_2nbi 1
42 1 . . . parsed_2nbi 1
43 1 . . . parsed_2nbi 1
44 1 . . . parsed_2nbi 1
45 1 . . . parsed_2nbi 1
46 1 . . . parsed_2nbi 1
47 1 . . . parsed_2nbi 1
48 1 . . . parsed_2nbi 1
49 1 . . . parsed_2nbi 1
50 1 . . . parsed_2nbi 1
51 1 . . . parsed_2nbi 1
52 1 . . . parsed_2nbi 1
53 1 . . . parsed_2nbi 1
54 1 . . . parsed_2nbi 1
55 1 . . . parsed_2nbi 1
56 1 . . . parsed_2nbi 1
57 1 . . . parsed_2nbi 1
58 1 . . . parsed_2nbi 1
59 1 . . . parsed_2nbi 1
60 1 . . . parsed_2nbi 1
61 1 . . . parsed_2nbi 1
62 1 . . . parsed_2nbi 1
63 1 . . . parsed_2nbi 1
64 1 . . . parsed_2nbi 1
65 1 . . . parsed_2nbi 1
66 1 . . . parsed_2nbi 1
67 1 . . . parsed_2nbi 1
68 1 . . . parsed_2nbi 1
69 1 . . . parsed_2nbi 1
70 1 . . . parsed_2nbi 1
71 1 . . . parsed_2nbi 1
72 1 . . . parsed_2nbi 1
73 1 . . . parsed_2nbi 1
74 1 . . . parsed_2nbi 1
75 1 . . . parsed_2nbi 1
76 1 . . . parsed_2nbi 1
77 1 . . . parsed_2nbi 1
78 1 . . . parsed_2nbi 1
79 1 . . . parsed_2nbi 1
80 1 . . . parsed_2nbi 1
81 1 . . . parsed_2nbi 1
82 1 . . . parsed_2nbi 1
83 1 . . . parsed_2nbi 1
84 1 . . . parsed_2nbi 1
85 1 . . . parsed_2nbi 1
86 1 . . . parsed_2nbi 1
87 1 . . . parsed_2nbi 1
88 1 . . . parsed_2nbi 1
89 1 . . . parsed_2nbi 1
90 1 . . . parsed_2nbi 1
91 1 . . . parsed_2nbi 1
92 1 . . . parsed_2nbi 1
93 1 . . . parsed_2nbi 1
94 1 . . . parsed_2nbi 1
95 1 . . . parsed_2nbi 1
96 1 . . . parsed_2nbi 1
97 1 . . . parsed_2nbi 1
98 1 . . . parsed_2nbi 1
99 1 . . . parsed_2nbi 1
100 1 . . . parsed_2nbi 1
101 1 . . . parsed_2nbi 1
102 1 . . . parsed_2nbi 1
103 1 . . . parsed_2nbi 1
104 1 . . . parsed_2nbi 1
105 1 . . . parsed_2nbi 1
106 1 . . . parsed_2nbi 1
107 1 . . . parsed_2nbi 1
108 1 . . . parsed_2nbi 1
109 1 . . . parsed_2nbi 1
110 1 . . . parsed_2nbi 1
111 1 . . . parsed_2nbi 1
112 1 . . . parsed_2nbi 1
113 1 . . . parsed_2nbi 1
114 1 . . . parsed_2nbi 1
115 1 . . . parsed_2nbi 1
116 1 . . . parsed_2nbi 1
117 1 . . . parsed_2nbi 1
118 1 . . . parsed_2nbi 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 . . . . . . . . . 131 . HE parsed_2nbi 1
1 1 2 . . . . . . . . . 130 . O parsed_2nbi 1
2 1 1 . . . . . . . . . 122 . HE parsed_2nbi 1
2 1 2 . . . . . . . . . 123 . O parsed_2nbi 1
3 1 1 . . . . . . . . . 131 . HN parsed_2nbi 1
3 1 2 . . . . . . . . . 126 . O parsed_2nbi 1
4 1 1 . . . . . . . . . 113 . HN parsed_2nbi 1
4 1 2 . . . . . . . . . 110 . O parsed_2nbi 1
5 1 1 . . . . . . . . . 130 . HN parsed_2nbi 1
5 1 2 . . . . . . . . . 126 . O parsed_2nbi 1
6 1 1 . . . . . . . . . 142 . HD21 parsed_2nbi 1
6 1 2 . . . . . . . . . 141 . O parsed_2nbi 1
7 1 1 . . . . . . . . . 149 . HN parsed_2nbi 1
7 1 2 . . . . . . . . . 124 . O parsed_2nbi 1
8 1 1 . . . . . . . . . 166 . HN parsed_2nbi 1
8 1 2 . . . . . . . . . 163 . O parsed_2nbi 1
9 1 1 . . . . . . . . . 175 . HN parsed_2nbi 1
9 1 2 . . . . . . . . . 172 . O parsed_2nbi 1
10 1 1 . . . . . . . . . 119 . O parsed_2nbi 1
10 1 2 . . . . . . . . . 163 . HN parsed_2nbi 1
11 1 1 . . . . . . . . . 119 . O parsed_2nbi 1
11 1 2 . . . . . . . . . 163 . N parsed_2nbi 1
12 1 1 . . . . . . . . . 111 . O parsed_2nbi 1
12 1 2 . . . . . . . . . 114 . HN parsed_2nbi 1
13 1 1 . . . . . . . . . 111 . O parsed_2nbi 1
13 1 2 . . . . . . . . . 114 . N parsed_2nbi 1
14 1 1 . . . . . . . . . 124 . O parsed_2nbi 1
14 1 2 . . . . . . . . . 126 . HN parsed_2nbi 1
15 1 1 . . . . . . . . . 124 . O parsed_2nbi 1
15 1 2 . . . . . . . . . 126 . N parsed_2nbi 1
16 1 1 . . . . . . . . . 110 . O parsed_2nbi 1
16 1 2 . . . . . . . . . 114 . HN parsed_2nbi 1
17 1 1 . . . . . . . . . 110 . O parsed_2nbi 1
17 1 2 . . . . . . . . . 114 . N parsed_2nbi 1
18 1 1 . . . . . . . . . 133 . O parsed_2nbi 1
18 1 2 . . . . . . . . . 136 . HN parsed_2nbi 1
19 1 1 . . . . . . . . . 133 . O parsed_2nbi 1
19 1 2 . . . . . . . . . 136 . N parsed_2nbi 1
20 1 1 . . . . . . . . . 131 . O parsed_2nbi 1
20 1 2 . . . . . . . . . 134 . HN parsed_2nbi 1
21 1 1 . . . . . . . . . 131 . O parsed_2nbi 1
21 1 2 . . . . . . . . . 134 . N parsed_2nbi 1
22 1 1 . . . . . . . . . 241 . HN parsed_2nbi 1
22 1 2 . . . . . . . . . 216 . O parsed_2nbi 1
23 1 1 . . . . . . . . . 214 . HE parsed_2nbi 1
23 1 2 . . . . . . . . . 215 . O parsed_2nbi 1
24 1 1 . . . . . . . . . 218 . HN parsed_2nbi 1
24 1 2 . . . . . . . . . 216 . O parsed_2nbi 1
25 1 1 . . . . . . . . . 221 . HN parsed_2nbi 1
25 1 2 . . . . . . . . . 218 . O parsed_2nbi 1
26 1 1 . . . . . . . . . 222 . HN parsed_2nbi 1
26 1 2 . . . . . . . . . 218 . O parsed_2nbi 1
27 1 1 . . . . . . . . . 223 . HN parsed_2nbi 1
27 1 2 . . . . . . . . . 218 . O parsed_2nbi 1
28 1 1 . . . . . . . . . 223 . HE parsed_2nbi 1
28 1 2 . . . . . . . . . 222 . O parsed_2nbi 1
29 1 1 . . . . . . . . . 234 . HD21 parsed_2nbi 1
29 1 2 . . . . . . . . . 233 . O parsed_2nbi 1
30 1 1 . . . . . . . . . 246 . HN parsed_2nbi 1
30 1 2 . . . . . . . . . 244 . O parsed_2nbi 1
31 1 1 . . . . . . . . . 258 . HN parsed_2nbi 1
31 1 2 . . . . . . . . . 255 . O parsed_2nbi 1
32 1 1 . . . . . . . . . 262 . HN parsed_2nbi 1
32 1 2 . . . . . . . . . 266 . OG1 parsed_2nbi 1
33 1 1 . . . . . . . . . 267 . HN parsed_2nbi 1
33 1 2 . . . . . . . . . 264 . O parsed_2nbi 1
34 1 1 . . . . . . . . . 240 . O parsed_2nbi 1
34 1 2 . . . . . . . . . 231 . HZ parsed_2nbi 1
35 1 1 . . . . . . . . . 211 . O parsed_2nbi 1
35 1 2 . . . . . . . . . 255 . HN parsed_2nbi 1
36 1 1 . . . . . . . . . 211 . O parsed_2nbi 1
36 1 2 . . . . . . . . . 255 . N parsed_2nbi 1
37 1 1 . . . . . . . . . 203 . O parsed_2nbi 1
37 1 2 . . . . . . . . . 206 . HN parsed_2nbi 1
38 1 1 . . . . . . . . . 203 . O parsed_2nbi 1
38 1 2 . . . . . . . . . 206 . N parsed_2nbi 1
39 1 1 . . . . . . . . . 216 . O parsed_2nbi 1
39 1 2 . . . . . . . . . 218 . HN parsed_2nbi 1
40 1 1 . . . . . . . . . 216 . O parsed_2nbi 1
40 1 2 . . . . . . . . . 218 . N parsed_2nbi 1
41 1 1 . . . . . . . . . 265 . O parsed_2nbi 1
41 1 2 . . . . . . . . . 262 . HN parsed_2nbi 1
42 1 1 . . . . . . . . . 265 . O parsed_2nbi 1
42 1 2 . . . . . . . . . 262 . N parsed_2nbi 1
43 1 1 . . . . . . . . . 225 . O parsed_2nbi 1
43 1 2 . . . . . . . . . 228 . HN parsed_2nbi 1
44 1 1 . . . . . . . . . 225 . O parsed_2nbi 1
44 1 2 . . . . . . . . . 228 . N parsed_2nbi 1
45 1 1 . . . . . . . . . 410 . O parsed_2nbi 1
45 1 2 . . . . . . . . . 413 . HN parsed_2nbi 1
46 1 1 . . . . . . . . . 410 . O parsed_2nbi 1
46 1 2 . . . . . . . . . 413 . N parsed_2nbi 1
47 1 1 . . . . . . . . . 430 . O parsed_2nbi 1
47 1 2 . . . . . . . . . 432 . HN parsed_2nbi 1
48 1 1 . . . . . . . . . 430 . O parsed_2nbi 1
48 1 2 . . . . . . . . . 432 . N parsed_2nbi 1
49 1 1 . . . . . . . . . 303 . HN parsed_2nbi 1
49 1 2 . . . . . . . . . 300 . O parsed_2nbi 1
50 1 1 . . . . . . . . . 312 . HE parsed_2nbi 1
50 1 2 . . . . . . . . . 313 . O parsed_2nbi 1
51 1 1 . . . . . . . . . 321 . HN parsed_2nbi 1
51 1 2 . . . . . . . . . 316 . O parsed_2nbi 1
52 1 1 . . . . . . . . . 323 . HN parsed_2nbi 1
52 1 2 . . . . . . . . . 316 . O parsed_2nbi 1
53 1 1 . . . . . . . . . 358 . HN parsed_2nbi 1
53 1 2 . . . . . . . . . 355 . O parsed_2nbi 1
54 1 1 . . . . . . . . . 367 . HN parsed_2nbi 1
54 1 2 . . . . . . . . . 364 . O parsed_2nbi 1
55 1 1 . . . . . . . . . 309 . O parsed_2nbi 1
55 1 2 . . . . . . . . . 355 . HN parsed_2nbi 1
56 1 1 . . . . . . . . . 309 . O parsed_2nbi 1
56 1 2 . . . . . . . . . 355 . N parsed_2nbi 1
57 1 1 . . . . . . . . . 301 . O parsed_2nbi 1
57 1 2 . . . . . . . . . 304 . HN parsed_2nbi 1
58 1 1 . . . . . . . . . 301 . O parsed_2nbi 1
58 1 2 . . . . . . . . . 304 . N parsed_2nbi 1
59 1 1 . . . . . . . . . 300 . O parsed_2nbi 1
59 1 2 . . . . . . . . . 304 . HN parsed_2nbi 1
60 1 1 . . . . . . . . . 300 . O parsed_2nbi 1
60 1 2 . . . . . . . . . 304 . N parsed_2nbi 1
61 1 1 . . . . . . . . . 325 . O parsed_2nbi 1
61 1 2 . . . . . . . . . 328 . HN parsed_2nbi 1
62 1 1 . . . . . . . . . 325 . O parsed_2nbi 1
62 1 2 . . . . . . . . . 328 . N parsed_2nbi 1
63 1 1 . . . . . . . . . 343 . O parsed_2nbi 1
63 1 2 . . . . . . . . . 345 . HN parsed_2nbi 1
64 1 1 . . . . . . . . . 343 . O parsed_2nbi 1
64 1 2 . . . . . . . . . 345 . N parsed_2nbi 1
65 1 1 . . . . . . . . . 323 . O parsed_2nbi 1
65 1 2 . . . . . . . . . 326 . HN parsed_2nbi 1
66 1 1 . . . . . . . . . 323 . O parsed_2nbi 1
66 1 2 . . . . . . . . . 326 . N parsed_2nbi 1
67 1 1 . . . . . . . . . 427 . O parsed_2nbi 1
67 1 2 . . . . . . . . . 418 . HZ parsed_2nbi 1
68 1 1 . . . . . . . . . 398 . O parsed_2nbi 1
68 1 2 . . . . . . . . . 442 . HN parsed_2nbi 1
69 1 1 . . . . . . . . . 398 . O parsed_2nbi 1
69 1 2 . . . . . . . . . 442 . N parsed_2nbi 1
70 1 1 . . . . . . . . . 390 . O parsed_2nbi 1
70 1 2 . . . . . . . . . 393 . HN parsed_2nbi 1
71 1 1 . . . . . . . . . 390 . O parsed_2nbi 1
71 1 2 . . . . . . . . . 393 . N parsed_2nbi 1
72 1 1 . . . . . . . . . 403 . O parsed_2nbi 1
72 1 2 . . . . . . . . . 405 . HN parsed_2nbi 1
73 1 1 . . . . . . . . . 403 . O parsed_2nbi 1
73 1 2 . . . . . . . . . 405 . N parsed_2nbi 1
74 1 1 . . . . . . . . . 396 . O parsed_2nbi 1
74 1 2 . . . . . . . . . 401 . HN parsed_2nbi 1
75 1 1 . . . . . . . . . 396 . O parsed_2nbi 1
75 1 2 . . . . . . . . . 401 . N parsed_2nbi 1
76 1 1 . . . . . . . . . 452 . O parsed_2nbi 1
76 1 2 . . . . . . . . . 449 . HN parsed_2nbi 1
77 1 1 . . . . . . . . . 452 . O parsed_2nbi 1
77 1 2 . . . . . . . . . 449 . N parsed_2nbi 1
78 1 1 . . . . . . . . . 389 . O parsed_2nbi 1
78 1 2 . . . . . . . . . 393 . HN parsed_2nbi 1
79 1 1 . . . . . . . . . 389 . O parsed_2nbi 1
79 1 2 . . . . . . . . . 393 . N parsed_2nbi 1
80 1 1 . . . . . . . . . 412 . O parsed_2nbi 1
80 1 2 . . . . . . . . . 415 . HN parsed_2nbi 1
81 1 1 . . . . . . . . . 412 . O parsed_2nbi 1
81 1 2 . . . . . . . . . 415 . N parsed_2nbi 1
82 1 1 . . . . . . . . . 410 . O parsed_2nbi 1
82 1 2 . . . . . . . . . 413 . HN parsed_2nbi 1
83 1 1 . . . . . . . . . 410 . O parsed_2nbi 1
83 1 2 . . . . . . . . . 413 . N parsed_2nbi 1
84 1 1 . . . . . . . . . 414 . O parsed_2nbi 1
84 1 2 . . . . . . . . . 416 . HN parsed_2nbi 1
85 1 1 . . . . . . . . . 414 . O parsed_2nbi 1
85 1 2 . . . . . . . . . 416 . N parsed_2nbi 1
86 1 1 . . . . . . . . . 430 . O parsed_2nbi 1
86 1 2 . . . . . . . . . 432 . HN parsed_2nbi 1
87 1 1 . . . . . . . . . 430 . O parsed_2nbi 1
87 1 2 . . . . . . . . . 432 . N parsed_2nbi 1
88 1 1 . . . . . . . . . 411 . O parsed_2nbi 1
88 1 2 . . . . . . . . . 414 . HN parsed_2nbi 1
89 1 1 . . . . . . . . . 411 . O parsed_2nbi 1
89 1 2 . . . . . . . . . 414 . N parsed_2nbi 1
90 1 1 . . . . . . . . . 392 . HN parsed_2nbi 1
90 1 2 . . . . . . . . . 389 . O parsed_2nbi 1
91 1 1 . . . . . . . . . 396 . HN parsed_2nbi 1
91 1 2 . . . . . . . . . 394 . O parsed_2nbi 1
92 1 1 . . . . . . . . . 401 . HE parsed_2nbi 1
92 1 2 . . . . . . . . . 402 . O parsed_2nbi 1
93 1 1 . . . . . . . . . 408 . HN parsed_2nbi 1
93 1 2 . . . . . . . . . 405 . O parsed_2nbi 1
94 1 1 . . . . . . . . . 409 . HN parsed_2nbi 1
94 1 2 . . . . . . . . . 405 . O parsed_2nbi 1
95 1 1 . . . . . . . . . 410 . HN parsed_2nbi 1
95 1 2 . . . . . . . . . 405 . O parsed_2nbi 1
96 1 1 . . . . . . . . . 410 . HE parsed_2nbi 1
96 1 2 . . . . . . . . . 409 . O parsed_2nbi 1
97 1 1 . . . . . . . . . 421 . HD21 parsed_2nbi 1
97 1 2 . . . . . . . . . 420 . O parsed_2nbi 1
98 1 1 . . . . . . . . . 433 . HN parsed_2nbi 1
98 1 2 . . . . . . . . . 431 . O parsed_2nbi 1
99 1 1 . . . . . . . . . 428 . HN parsed_2nbi 1
99 1 2 . . . . . . . . . 403 . O parsed_2nbi 1
100 1 1 . . . . . . . . . 445 . HN parsed_2nbi 1
100 1 2 . . . . . . . . . 442 . O parsed_2nbi 1
101 1 1 . . . . . . . . . 449 . HN parsed_2nbi 1
101 1 2 . . . . . . . . . 453 . OG1 parsed_2nbi 1
102 1 1 . . . . . . . . . 454 . HN parsed_2nbi 1
102 1 2 . . . . . . . . . 451 . O parsed_2nbi 1
103 1 1 . . . . . . . . . 520 . HN parsed_2nbi 1
103 1 2 . . . . . . . . . 518 . O parsed_2nbi 1
104 1 1 . . . . . . . . . 516 . HE parsed_2nbi 1
104 1 2 . . . . . . . . . 517 . O parsed_2nbi 1
105 1 1 . . . . . . . . . 525 . HN parsed_2nbi 1
105 1 2 . . . . . . . . . 520 . O parsed_2nbi 1
106 1 1 . . . . . . . . . 545 . HN parsed_2nbi 1
106 1 2 . . . . . . . . . 518 . O parsed_2nbi 1
107 1 1 . . . . . . . . . 562 . HN parsed_2nbi 1
107 1 2 . . . . . . . . . 559 . O parsed_2nbi 1
108 1 1 . . . . . . . . . 571 . HN parsed_2nbi 1
108 1 2 . . . . . . . . . 568 . O parsed_2nbi 1
109 1 1 . . . . . . . . . 527 . HN parsed_2nbi 1
109 1 2 . . . . . . . . . 520 . O parsed_2nbi 1
110 1 1 . . . . . . . . . 513 . O parsed_2nbi 1
110 1 2 . . . . . . . . . 559 . HN parsed_2nbi 1
111 1 1 . . . . . . . . . 513 . O parsed_2nbi 1
111 1 2 . . . . . . . . . 559 . N parsed_2nbi 1
112 1 1 . . . . . . . . . 505 . O parsed_2nbi 1
112 1 2 . . . . . . . . . 508 . HN parsed_2nbi 1
113 1 1 . . . . . . . . . 505 . O parsed_2nbi 1
113 1 2 . . . . . . . . . 508 . N parsed_2nbi 1
114 1 1 . . . . . . . . . 518 . O parsed_2nbi 1
114 1 2 . . . . . . . . . 520 . HN parsed_2nbi 1
115 1 1 . . . . . . . . . 518 . O parsed_2nbi 1
115 1 2 . . . . . . . . . 520 . N parsed_2nbi 1
116 1 1 . . . . . . . . . 527 . O parsed_2nbi 1
116 1 2 . . . . . . . . . 530 . HN parsed_2nbi 1
117 1 1 . . . . . . . . . 527 . O parsed_2nbi 1
117 1 2 . . . . . . . . . 530 . N parsed_2nbi 1
118 1 1 . . . . . . . . . 94 . HA parsed_2nbi 1
118 1 2 . . . . . . . . . 95 . HN parsed_2nbi 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 . . . . . 2.235577 1.900240 2.570914 parsed_2nbi 1
2 1 . . . . . 1.765478 1.650000 2.030300 parsed_2nbi 1
3 1 . . . . . 1.983853 1.686275 2.281431 parsed_2nbi 1
4 1 . . . . . 1.877202 1.650000 2.158782 parsed_2nbi 1
5 1 . . . . . 1.904179 1.650001 2.189806 parsed_2nbi 1
6 1 . . . . . 1.855856 1.650000 2.134234 parsed_2nbi 1
7 1 . . . . . 2.299907 1.954921 2.644893 parsed_2nbi 1
8 1 . . . . . 2.171515 1.845788 2.497242 parsed_2nbi 1
9 1 . . . . . 2.087257 1.774168 2.400346 parsed_2nbi 1
10 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
11 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
12 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
13 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
14 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
15 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
16 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
17 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
18 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
19 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
20 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
21 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
22 1 . . . . . 2.299907 1.954921 2.644893 parsed_2nbi 1
23 1 . . . . . 1.765478 1.650000 2.030300 parsed_2nbi 1
24 1 . . . . . 2.204448 1.873781 2.535115 parsed_2nbi 1
25 1 . . . . . 1.650000 1.650000 1.874530 parsed_2nbi 1
26 1 . . . . . 1.904179 1.650001 2.189806 parsed_2nbi 1
27 1 . . . . . 1.983853 1.686275 2.281431 parsed_2nbi 1
28 1 . . . . . 2.235577 1.900240 2.570914 parsed_2nbi 1
29 1 . . . . . 1.855856 1.650000 2.134234 parsed_2nbi 1
30 1 . . . . . 1.724115 1.650000 1.982732 parsed_2nbi 1
31 1 . . . . . 2.171515 1.845788 2.497242 parsed_2nbi 1
32 1 . . . . . 2.208285 1.877042 2.539528 parsed_2nbi 1
33 1 . . . . . 2.087257 1.774168 2.400346 parsed_2nbi 1
34 1 . . . . . 2.0 1.5 2.3 parsed_2nbi 1
35 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
36 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
37 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
38 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
39 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
40 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
41 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
42 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
43 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
44 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
45 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
46 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
47 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
48 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
49 1 . . . . . 1.877202 1.650000 2.158782 parsed_2nbi 1
50 1 . . . . . 1.765478 1.650000 2.030300 parsed_2nbi 1
51 1 . . . . . 1.650000 1.650000 1.874530 parsed_2nbi 1
52 1 . . . . . 1.983853 1.686275 2.281431 parsed_2nbi 1
53 1 . . . . . 2.171515 1.845788 2.497242 parsed_2nbi 1
54 1 . . . . . 2.087257 1.774168 2.400346 parsed_2nbi 1
55 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
56 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
57 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
58 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
59 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
60 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
61 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
62 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
63 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
64 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
65 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
66 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
67 1 . . . . . 2.0 1.5 2.3 parsed_2nbi 1
68 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
69 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
70 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
71 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
72 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
73 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
74 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
75 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
76 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
77 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
78 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
79 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
80 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
81 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
82 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
83 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
84 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
85 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
86 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
87 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
88 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
89 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
90 1 . . . . . 1.877202 1.650000 2.158782 parsed_2nbi 1
91 1 . . . . . 1.650000 1.650000 1.886989 parsed_2nbi 1
92 1 . . . . . 1.765478 1.650000 2.030300 parsed_2nbi 1
93 1 . . . . . 1.650000 1.650000 1.874530 parsed_2nbi 1
94 1 . . . . . 1.904179 1.650001 2.189806 parsed_2nbi 1
95 1 . . . . . 1.983853 1.686275 2.281431 parsed_2nbi 1
96 1 . . . . . 2.235577 1.900240 2.570914 parsed_2nbi 1
97 1 . . . . . 1.855856 1.650000 2.134234 parsed_2nbi 1
98 1 . . . . . 1.724115 1.650000 1.982732 parsed_2nbi 1
99 1 . . . . . 2.299907 1.954921 2.644893 parsed_2nbi 1
100 1 . . . . . 2.171515 1.845788 2.497242 parsed_2nbi 1
101 1 . . . . . 2.208285 1.877042 2.539528 parsed_2nbi 1
102 1 . . . . . 2.087257 1.774168 2.400346 parsed_2nbi 1
103 1 . . . . . 2.204448 1.873781 2.535115 parsed_2nbi 1
104 1 . . . . . 1.765478 1.650000 2.030300 parsed_2nbi 1
105 1 . . . . . 1.650000 1.650000 1.874530 parsed_2nbi 1
106 1 . . . . . 2.299907 1.954921 2.644893 parsed_2nbi 1
107 1 . . . . . 2.171515 1.845788 2.497242 parsed_2nbi 1
108 1 . . . . . 2.087257 1.774168 2.400346 parsed_2nbi 1
109 1 . . . . . 1.983853 1.686275 2.281431 parsed_2nbi 1
110 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
111 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
112 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
113 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
114 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
115 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
116 1 . . . . . 2.0 1.3 2.5 parsed_2nbi 1
117 1 . . . . . 3.0 2.3 3.5 parsed_2nbi 1
118 1 . . . . . 2.193646 1.864599 2.522693 parsed_2nbi 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 "Samplesize=1 P_HB=1.00 stddev=0.16767 cdev=0.16767 KST=-1.00000 !HBOND angle=31.66 +-13.50" 1 83 1 175 parsed_2nbi 1
2 "Samplesize=1 P_HB=1.00 stddev=0.13241 cdev=0.13241 KST=-1.00000 !HBOND angle=31.71 +-13.50" 2 83 2 175 parsed_2nbi 1
3 "Samplesize=1 P_HB=1.00 stddev=0.14879 cdev=0.14879 KST=-1.00000 !HBOND angle=4.21 +-13.50" 3 83 3 174 parsed_2nbi 1
4 "Samplesize=1 P_HB=1.00 stddev=0.14079 cdev=0.14079 KST=-1.00000 !HBOND angle=20.73 +-13.50" 4 83 4 175 parsed_2nbi 1
5 "Samplesize=1 P_HB=1.00 stddev=0.14281 cdev=0.14281 KST=-1.00000 !HBOND angle=19.22 +-13.50" 5 83 5 175 parsed_2nbi 1
6 "Samplesize=1 P_HB=1.00 stddev=0.13919 cdev=0.13919 KST=-1.00000 !HBOND angle=17.96 +-13.50" 6 85 6 177 parsed_2nbi 1
7 "Samplesize=1 P_HB=1.00 stddev=0.17249 cdev=0.17249 KST=-1.00000 !HBOND angle=17.51 +-13.50" 7 83 7 175 parsed_2nbi 1
8 "Samplesize=1 P_HB=1.00 stddev=0.16286 cdev=0.16286 KST=-1.00000 !HBOND angle=3.46 +-13.50" 8 83 8 174 parsed_2nbi 1
9 "Samplesize=1 P_HB=1.00 stddev=0.15654 cdev=0.15654 KST=-1.00000 !HBOND angle=25.74 +-13.50" 9 83 9 175 parsed_2nbi 1
10 "Samplesize=1 P_HB=1.00 stddev=0.17249 cdev=0.17249 KST=-1.00000 !HBOND angle=17.51 +-13.50" 22 83 22 175 parsed_2nbi 1
11 "Samplesize=1 P_HB=1.00 stddev=0.13241 cdev=0.13241 KST=-1.00000 !HBOND angle=31.71 +-13.50" 23 83 23 175 parsed_2nbi 1
12 "Samplesize=1 P_HB=1.00 stddev=0.16533 cdev=0.16533 KST=-1.00000 !HBOND angle=31.61 +-13.50" 24 83 24 175 parsed_2nbi 1
13 "Samplesize=1 P_HB=1.00 stddev=0.11226 cdev=0.11226 KST=-1.00000 !HBOND angle=7.68 +-13.50" 25 83 25 174 parsed_2nbi 1
14 "Samplesize=1 P_HB=1.00 stddev=0.14281 cdev=0.14281 KST=-1.00000 !HBOND angle=19.22 +-13.50" 26 83 26 175 parsed_2nbi 1
15 "Samplesize=1 P_HB=1.00 stddev=0.14879 cdev=0.14879 KST=-1.00000 !HBOND angle=4.21 +-13.50" 27 83 27 174 parsed_2nbi 1
16 "Samplesize=1 P_HB=1.00 stddev=0.16767 cdev=0.16767 KST=-1.00000 !HBOND angle=31.66 +-13.50" 28 83 28 175 parsed_2nbi 1
17 "Samplesize=1 P_HB=1.00 stddev=0.13919 cdev=0.13919 KST=-1.00000 !HBOND angle=17.96 +-13.50" 29 85 29 177 parsed_2nbi 1
18 "Samplesize=1 P_HB=1.00 stddev=0.12931 cdev=0.12931 KST=-1.00000 !HBOND angle=24.45 +-13.50" 30 83 30 175 parsed_2nbi 1
19 "Samplesize=1 P_HB=1.00 stddev=0.16286 cdev=0.16286 KST=-1.00000 !HBOND angle=3.46 +-13.50" 31 83 31 174 parsed_2nbi 1
20 "Samplesize=1 P_HB=1.00 stddev=0.16562 cdev=0.16562 KST=-1.00000 !HBOND angle=12.68 +-13.50" 32 85 32 177 parsed_2nbi 1
21 "Samplesize=1 P_HB=1.00 stddev=0.15654 cdev=0.15654 KST=-1.00000 !HBOND angle=25.74 +-13.50" 33 83 33 175 parsed_2nbi 1
22 "Samplesize=1 P_HB=1.00 stddev=0.14079 cdev=0.14079 KST=-1.00000 !HBOND angle=20.73 +-13.50" 49 83 49 175 parsed_2nbi 1
23 "Samplesize=1 P_HB=1.00 stddev=0.13241 cdev=0.13241 KST=-1.00000 !HBOND angle=31.71 +-13.50" 50 83 50 175 parsed_2nbi 1
24 "Samplesize=1 P_HB=1.00 stddev=0.11226 cdev=0.11226 KST=-1.00000 !HBOND angle=7.68 +-13.50" 51 83 51 174 parsed_2nbi 1
25 "Samplesize=1 P_HB=1.00 stddev=0.14879 cdev=0.14879 KST=-1.00000 !HBOND angle=4.21 +-13.50" 52 83 52 174 parsed_2nbi 1
26 "Samplesize=1 P_HB=1.00 stddev=0.16286 cdev=0.16286 KST=-1.00000 !HBOND angle=3.46 +-13.50" 53 83 53 174 parsed_2nbi 1
27 "Samplesize=1 P_HB=1.00 stddev=0.15654 cdev=0.15654 KST=-1.00000 !HBOND angle=25.74 +-13.50" 54 83 54 175 parsed_2nbi 1
28 "Samplesize=1 P_HB=1.00 stddev=0.14079 cdev=0.14079 KST=-1.00000 !HBOND angle=20.73 +-13.50" 90 83 90 175 parsed_2nbi 1
29 "Samplesize=1 P_HB=1.00 stddev=0.11849 cdev=0.11849 KST=-1.00000 !HBOND angle=22.94 +-13.50" 91 83 91 175 parsed_2nbi 1
30 "Samplesize=1 P_HB=1.00 stddev=0.13241 cdev=0.13241 KST=-1.00000 !HBOND angle=31.71 +-13.50" 92 83 92 175 parsed_2nbi 1
31 "Samplesize=1 P_HB=1.00 stddev=0.11226 cdev=0.11226 KST=-1.00000 !HBOND angle=7.68 +-13.50" 93 83 93 174 parsed_2nbi 1
32 "Samplesize=1 P_HB=1.00 stddev=0.14281 cdev=0.14281 KST=-1.00000 !HBOND angle=19.22 +-13.50" 94 83 94 175 parsed_2nbi 1
33 "Samplesize=1 P_HB=1.00 stddev=0.14879 cdev=0.14879 KST=-1.00000 !HBOND angle=4.21 +-13.50" 95 83 95 174 parsed_2nbi 1
34 "Samplesize=1 P_HB=1.00 stddev=0.16767 cdev=0.16767 KST=-1.00000 !HBOND angle=31.66 +-13.50" 96 83 96 175 parsed_2nbi 1
35 "Samplesize=1 P_HB=1.00 stddev=0.13919 cdev=0.13919 KST=-1.00000 !HBOND angle=17.96 +-13.50" 97 85 97 177 parsed_2nbi 1
36 "Samplesize=1 P_HB=1.00 stddev=0.12931 cdev=0.12931 KST=-1.00000 !HBOND angle=24.45 +-13.50" 98 83 98 175 parsed_2nbi 1
37 "Samplesize=1 P_HB=1.00 stddev=0.17249 cdev=0.17249 KST=-1.00000 !HBOND angle=17.51 +-13.50" 99 83 99 175 parsed_2nbi 1
38 "Samplesize=1 P_HB=1.00 stddev=0.16286 cdev=0.16286 KST=-1.00000 !HBOND angle=3.46 +-13.50" 100 83 100 174 parsed_2nbi 1
39 "Samplesize=1 P_HB=1.00 stddev=0.16562 cdev=0.16562 KST=-1.00000 !HBOND angle=12.68 +-13.50" 101 85 101 177 parsed_2nbi 1
40 "Samplesize=1 P_HB=1.00 stddev=0.15654 cdev=0.15654 KST=-1.00000 !HBOND angle=25.74 +-13.50" 102 83 102 175 parsed_2nbi 1
41 "Samplesize=1 P_HB=1.00 stddev=0.16533 cdev=0.16533 KST=-1.00000 !HBOND angle=31.61 +-13.50" 103 83 103 175 parsed_2nbi 1
42 "Samplesize=1 P_HB=1.00 stddev=0.13241 cdev=0.13241 KST=-1.00000 !HBOND angle=31.71 +-13.50" 104 83 104 175 parsed_2nbi 1
43 "Samplesize=1 P_HB=1.00 stddev=0.11226 cdev=0.11226 KST=-1.00000 !HBOND angle=7.68 +-13.50" 105 83 105 174 parsed_2nbi 1
44 "Samplesize=1 P_HB=1.00 stddev=0.17249 cdev=0.17249 KST=-1.00000 !HBOND angle=17.51 +-13.50" 106 83 106 175 parsed_2nbi 1
45 "Samplesize=1 P_HB=1.00 stddev=0.16286 cdev=0.16286 KST=-1.00000 !HBOND angle=3.46 +-13.50" 107 83 107 174 parsed_2nbi 1
46 "Samplesize=1 P_HB=1.00 stddev=0.15654 cdev=0.15654 KST=-1.00000 !HBOND angle=25.74 +-13.50" 108 83 108 175 parsed_2nbi 1
47 "Samplesize=1 P_HB=1.00 stddev=0.14879 cdev=0.14879 KST=-1.00000 !HBOND angle=4.21 +-13.50" 109 83 109 174 parsed_2nbi 1
48 "Samplesize=1 stddev=0.16452 cdev=0.16452 KST=-1.00000" 117 154 117 209 parsed_2nbi 1
stop_
save_
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