NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
180144 |
2kjg   |
16320 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 106 |
data_2kjg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kjg
_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_2kjg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kjg
_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 2kjg "Master copy" parsed_2kjg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kjg
_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 2kjg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kjg 1
1 2kjg.mr . . XPLOR/CNS 2 distance NOE simple 1702 parsed_2kjg 1
1 2kjg.mr . . XPLOR/CNS 3 distance NOE ambi 273 parsed_2kjg 1
1 2kjg.mr . . XPLOR/CNS 4 distance NOE simple 150 parsed_2kjg 1
1 2kjg.mr . . XPLOR/CNS 5 distance NOE ambi 20 parsed_2kjg 1
1 2kjg.mr . . XPLOR/CNS 6 distance NOE simple 972 parsed_2kjg 1
1 2kjg.mr . . XPLOR/CNS 7 distance NOE ambi 91 parsed_2kjg 1
1 2kjg.mr . . XPLOR/CNS 8 distance "hydrogen bond" simple 106 parsed_2kjg 1
1 2kjg.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kjg 1
1 2kjg.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kjg 1
stop_
save_
save_CNS/XPLOR_distance_constraints_8
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kjg
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 8
_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_2kjg 1
2 1 . . . parsed_2kjg 1
3 1 . . . parsed_2kjg 1
4 1 . . . parsed_2kjg 1
5 1 . . . parsed_2kjg 1
6 1 . . . parsed_2kjg 1
7 1 . . . parsed_2kjg 1
8 1 . . . parsed_2kjg 1
9 1 . . . parsed_2kjg 1
10 1 . . . parsed_2kjg 1
11 1 . . . parsed_2kjg 1
12 1 . . . parsed_2kjg 1
13 1 . . . parsed_2kjg 1
14 1 . . . parsed_2kjg 1
15 1 . . . parsed_2kjg 1
16 1 . . . parsed_2kjg 1
17 1 . . . parsed_2kjg 1
18 1 . . . parsed_2kjg 1
19 1 . . . parsed_2kjg 1
20 1 . . . parsed_2kjg 1
21 1 . . . parsed_2kjg 1
22 1 . . . parsed_2kjg 1
23 1 . . . parsed_2kjg 1
24 1 . . . parsed_2kjg 1
25 1 . . . parsed_2kjg 1
26 1 . . . parsed_2kjg 1
27 1 . . . parsed_2kjg 1
28 1 . . . parsed_2kjg 1
29 1 . . . parsed_2kjg 1
30 1 . . . parsed_2kjg 1
31 1 . . . parsed_2kjg 1
32 1 . . . parsed_2kjg 1
33 1 . . . parsed_2kjg 1
34 1 . . . parsed_2kjg 1
35 1 . . . parsed_2kjg 1
36 1 . . . parsed_2kjg 1
37 1 . . . parsed_2kjg 1
38 1 . . . parsed_2kjg 1
39 1 . . . parsed_2kjg 1
40 1 . . . parsed_2kjg 1
41 1 . . . parsed_2kjg 1
42 1 . . . parsed_2kjg 1
43 1 . . . parsed_2kjg 1
44 1 . . . parsed_2kjg 1
45 1 . . . parsed_2kjg 1
46 1 . . . parsed_2kjg 1
47 1 . . . parsed_2kjg 1
48 1 . . . parsed_2kjg 1
49 1 . . . parsed_2kjg 1
50 1 . . . parsed_2kjg 1
51 1 . . . parsed_2kjg 1
52 1 . . . parsed_2kjg 1
53 1 . . . parsed_2kjg 1
54 1 . . . parsed_2kjg 1
55 1 . . . parsed_2kjg 1
56 1 . . . parsed_2kjg 1
57 1 . . . parsed_2kjg 1
58 1 . . . parsed_2kjg 1
59 1 . . . parsed_2kjg 1
60 1 . . . parsed_2kjg 1
61 1 . . . parsed_2kjg 1
62 1 . . . parsed_2kjg 1
63 1 . . . parsed_2kjg 1
64 1 . . . parsed_2kjg 1
65 1 . . . parsed_2kjg 1
66 1 . . . parsed_2kjg 1
67 1 . . . parsed_2kjg 1
68 1 . . . parsed_2kjg 1
69 1 . . . parsed_2kjg 1
70 1 . . . parsed_2kjg 1
71 1 . . . parsed_2kjg 1
72 1 . . . parsed_2kjg 1
73 1 . . . parsed_2kjg 1
74 1 . . . parsed_2kjg 1
75 1 . . . parsed_2kjg 1
76 1 . . . parsed_2kjg 1
77 1 . . . parsed_2kjg 1
78 1 . . . parsed_2kjg 1
79 1 . . . parsed_2kjg 1
80 1 . . . parsed_2kjg 1
81 1 . . . parsed_2kjg 1
82 1 . . . parsed_2kjg 1
83 1 . . . parsed_2kjg 1
84 1 . . . parsed_2kjg 1
85 1 . . . parsed_2kjg 1
86 1 . . . parsed_2kjg 1
87 1 . . . parsed_2kjg 1
88 1 . . . parsed_2kjg 1
89 1 . . . parsed_2kjg 1
90 1 . . . parsed_2kjg 1
91 1 . . . parsed_2kjg 1
92 1 . . . parsed_2kjg 1
93 1 . . . parsed_2kjg 1
94 1 . . . parsed_2kjg 1
95 1 . . . parsed_2kjg 1
96 1 . . . parsed_2kjg 1
97 1 . . . parsed_2kjg 1
98 1 . . . parsed_2kjg 1
99 1 . . . parsed_2kjg 1
100 1 . . . parsed_2kjg 1
101 1 . . . parsed_2kjg 1
102 1 . . . parsed_2kjg 1
103 1 . . . parsed_2kjg 1
104 1 . . . parsed_2kjg 1
105 1 . . . parsed_2kjg 1
106 1 . . . parsed_2kjg 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 . . . . . . . . . 7 . o parsed_2kjg 1
1 1 2 . . . . . . . . . 11 . hn parsed_2kjg 1
2 1 1 . . . . . . . . . 7 . o parsed_2kjg 1
2 1 2 . . . . . . . . . 11 . n parsed_2kjg 1
3 1 1 . . . . . . . . . 8 . o parsed_2kjg 1
3 1 2 . . . . . . . . . 12 . hn parsed_2kjg 1
4 1 1 . . . . . . . . . 8 . o parsed_2kjg 1
4 1 2 . . . . . . . . . 12 . n parsed_2kjg 1
5 1 1 . . . . . . . . . 9 . o parsed_2kjg 1
5 1 2 . . . . . . . . . 13 . hn parsed_2kjg 1
6 1 1 . . . . . . . . . 9 . o parsed_2kjg 1
6 1 2 . . . . . . . . . 13 . n parsed_2kjg 1
7 1 1 . . . . . . . . . 10 . o parsed_2kjg 1
7 1 2 . . . . . . . . . 14 . hn parsed_2kjg 1
8 1 1 . . . . . . . . . 10 . o parsed_2kjg 1
8 1 2 . . . . . . . . . 14 . n parsed_2kjg 1
9 1 1 . . . . . . . . . 11 . o parsed_2kjg 1
9 1 2 . . . . . . . . . 15 . hn parsed_2kjg 1
10 1 1 . . . . . . . . . 11 . o parsed_2kjg 1
10 1 2 . . . . . . . . . 15 . n parsed_2kjg 1
11 1 1 . . . . . . . . . 12 . o parsed_2kjg 1
11 1 2 . . . . . . . . . 16 . hn parsed_2kjg 1
12 1 1 . . . . . . . . . 12 . o parsed_2kjg 1
12 1 2 . . . . . . . . . 16 . n parsed_2kjg 1
13 1 1 . . . . . . . . . 20 . o parsed_2kjg 1
13 1 2 . . . . . . . . . 24 . hn parsed_2kjg 1
14 1 1 . . . . . . . . . 20 . o parsed_2kjg 1
14 1 2 . . . . . . . . . 24 . n parsed_2kjg 1
15 1 1 . . . . . . . . . 21 . o parsed_2kjg 1
15 1 2 . . . . . . . . . 25 . hn parsed_2kjg 1
16 1 1 . . . . . . . . . 21 . o parsed_2kjg 1
16 1 2 . . . . . . . . . 25 . n parsed_2kjg 1
17 1 1 . . . . . . . . . 22 . o parsed_2kjg 1
17 1 2 . . . . . . . . . 26 . hn parsed_2kjg 1
18 1 1 . . . . . . . . . 22 . o parsed_2kjg 1
18 1 2 . . . . . . . . . 26 . n parsed_2kjg 1
19 1 1 . . . . . . . . . 23 . o parsed_2kjg 1
19 1 2 . . . . . . . . . 27 . hn parsed_2kjg 1
20 1 1 . . . . . . . . . 23 . o parsed_2kjg 1
20 1 2 . . . . . . . . . 27 . n parsed_2kjg 1
21 1 1 . . . . . . . . . 24 . o parsed_2kjg 1
21 1 2 . . . . . . . . . 28 . hn parsed_2kjg 1
22 1 1 . . . . . . . . . 24 . o parsed_2kjg 1
22 1 2 . . . . . . . . . 28 . n parsed_2kjg 1
23 1 1 . . . . . . . . . 25 . o parsed_2kjg 1
23 1 2 . . . . . . . . . 29 . hn parsed_2kjg 1
24 1 1 . . . . . . . . . 25 . o parsed_2kjg 1
24 1 2 . . . . . . . . . 29 . n parsed_2kjg 1
25 1 1 . . . . . . . . . 26 . o parsed_2kjg 1
25 1 2 . . . . . . . . . 30 . hn parsed_2kjg 1
26 1 1 . . . . . . . . . 26 . o parsed_2kjg 1
26 1 2 . . . . . . . . . 30 . n parsed_2kjg 1
27 1 1 . . . . . . . . . 27 . o parsed_2kjg 1
27 1 2 . . . . . . . . . 31 . hn parsed_2kjg 1
28 1 1 . . . . . . . . . 27 . o parsed_2kjg 1
28 1 2 . . . . . . . . . 31 . n parsed_2kjg 1
29 1 1 . . . . . . . . . 28 . o parsed_2kjg 1
29 1 2 . . . . . . . . . 32 . hn parsed_2kjg 1
30 1 1 . . . . . . . . . 28 . o parsed_2kjg 1
30 1 2 . . . . . . . . . 32 . n parsed_2kjg 1
31 1 1 . . . . . . . . . 29 . o parsed_2kjg 1
31 1 2 . . . . . . . . . 33 . hn parsed_2kjg 1
32 1 1 . . . . . . . . . 29 . o parsed_2kjg 1
32 1 2 . . . . . . . . . 33 . n parsed_2kjg 1
33 1 1 . . . . . . . . . 30 . o parsed_2kjg 1
33 1 2 . . . . . . . . . 34 . hn parsed_2kjg 1
34 1 1 . . . . . . . . . 30 . o parsed_2kjg 1
34 1 2 . . . . . . . . . 34 . n parsed_2kjg 1
35 1 1 . . . . . . . . . 31 . o parsed_2kjg 1
35 1 2 . . . . . . . . . 35 . hn parsed_2kjg 1
36 1 1 . . . . . . . . . 31 . o parsed_2kjg 1
36 1 2 . . . . . . . . . 35 . n parsed_2kjg 1
37 1 1 . . . . . . . . . 32 . o parsed_2kjg 1
37 1 2 . . . . . . . . . 36 . hn parsed_2kjg 1
38 1 1 . . . . . . . . . 32 . o parsed_2kjg 1
38 1 2 . . . . . . . . . 36 . n parsed_2kjg 1
39 1 1 . . . . . . . . . 40 . o parsed_2kjg 1
39 1 2 . . . . . . . . . 44 . hn parsed_2kjg 1
40 1 1 . . . . . . . . . 40 . o parsed_2kjg 1
40 1 2 . . . . . . . . . 44 . n parsed_2kjg 1
41 1 1 . . . . . . . . . 41 . o parsed_2kjg 1
41 1 2 . . . . . . . . . 45 . hn parsed_2kjg 1
42 1 1 . . . . . . . . . 41 . o parsed_2kjg 1
42 1 2 . . . . . . . . . 45 . n parsed_2kjg 1
43 1 1 . . . . . . . . . 42 . o parsed_2kjg 1
43 1 2 . . . . . . . . . 46 . hn parsed_2kjg 1
44 1 1 . . . . . . . . . 42 . o parsed_2kjg 1
44 1 2 . . . . . . . . . 46 . n parsed_2kjg 1
45 1 1 . . . . . . . . . 43 . o parsed_2kjg 1
45 1 2 . . . . . . . . . 47 . hn parsed_2kjg 1
46 1 1 . . . . . . . . . 43 . o parsed_2kjg 1
46 1 2 . . . . . . . . . 47 . n parsed_2kjg 1
47 1 1 . . . . . . . . . 44 . o parsed_2kjg 1
47 1 2 . . . . . . . . . 48 . hn parsed_2kjg 1
48 1 1 . . . . . . . . . 44 . o parsed_2kjg 1
48 1 2 . . . . . . . . . 48 . n parsed_2kjg 1
49 1 1 . . . . . . . . . 45 . o parsed_2kjg 1
49 1 2 . . . . . . . . . 49 . hn parsed_2kjg 1
50 1 1 . . . . . . . . . 45 . o parsed_2kjg 1
50 1 2 . . . . . . . . . 49 . n parsed_2kjg 1
51 1 1 . . . . . . . . . 46 . o parsed_2kjg 1
51 1 2 . . . . . . . . . 50 . hn parsed_2kjg 1
52 1 1 . . . . . . . . . 46 . o parsed_2kjg 1
52 1 2 . . . . . . . . . 50 . n parsed_2kjg 1
53 1 1 . . . . . . . . . 47 . o parsed_2kjg 1
53 1 2 . . . . . . . . . 51 . hn parsed_2kjg 1
54 1 1 . . . . . . . . . 47 . o parsed_2kjg 1
54 1 2 . . . . . . . . . 51 . n parsed_2kjg 1
55 1 1 . . . . . . . . . 48 . o parsed_2kjg 1
55 1 2 . . . . . . . . . 52 . hn parsed_2kjg 1
56 1 1 . . . . . . . . . 48 . o parsed_2kjg 1
56 1 2 . . . . . . . . . 52 . n parsed_2kjg 1
57 1 1 . . . . . . . . . 53 . o parsed_2kjg 1
57 1 2 . . . . . . . . . 57 . hn parsed_2kjg 1
58 1 1 . . . . . . . . . 53 . o parsed_2kjg 1
58 1 2 . . . . . . . . . 57 . n parsed_2kjg 1
59 1 1 . . . . . . . . . 54 . o parsed_2kjg 1
59 1 2 . . . . . . . . . 58 . hn parsed_2kjg 1
60 1 1 . . . . . . . . . 54 . o parsed_2kjg 1
60 1 2 . . . . . . . . . 58 . n parsed_2kjg 1
61 1 1 . . . . . . . . . 55 . o parsed_2kjg 1
61 1 2 . . . . . . . . . 59 . hn parsed_2kjg 1
62 1 1 . . . . . . . . . 55 . o parsed_2kjg 1
62 1 2 . . . . . . . . . 59 . n parsed_2kjg 1
63 1 1 . . . . . . . . . 59 . o parsed_2kjg 1
63 1 2 . . . . . . . . . 63 . hn parsed_2kjg 1
64 1 1 . . . . . . . . . 59 . o parsed_2kjg 1
64 1 2 . . . . . . . . . 63 . n parsed_2kjg 1
65 1 1 . . . . . . . . . 60 . o parsed_2kjg 1
65 1 2 . . . . . . . . . 64 . hn parsed_2kjg 1
66 1 1 . . . . . . . . . 60 . o parsed_2kjg 1
66 1 2 . . . . . . . . . 64 . n parsed_2kjg 1
67 1 1 . . . . . . . . . 61 . o parsed_2kjg 1
67 1 2 . . . . . . . . . 65 . hn parsed_2kjg 1
68 1 1 . . . . . . . . . 61 . o parsed_2kjg 1
68 1 2 . . . . . . . . . 65 . n parsed_2kjg 1
69 1 1 . . . . . . . . . 62 . o parsed_2kjg 1
69 1 2 . . . . . . . . . 66 . hn parsed_2kjg 1
70 1 1 . . . . . . . . . 62 . o parsed_2kjg 1
70 1 2 . . . . . . . . . 66 . n parsed_2kjg 1
71 1 1 . . . . . . . . . 63 . o parsed_2kjg 1
71 1 2 . . . . . . . . . 67 . hn parsed_2kjg 1
72 1 1 . . . . . . . . . 63 . o parsed_2kjg 1
72 1 2 . . . . . . . . . 67 . n parsed_2kjg 1
73 1 1 . . . . . . . . . 64 . o parsed_2kjg 1
73 1 2 . . . . . . . . . 68 . hn parsed_2kjg 1
74 1 1 . . . . . . . . . 64 . o parsed_2kjg 1
74 1 2 . . . . . . . . . 68 . n parsed_2kjg 1
75 1 1 . . . . . . . . . 65 . o parsed_2kjg 1
75 1 2 . . . . . . . . . 69 . hn parsed_2kjg 1
76 1 1 . . . . . . . . . 65 . o parsed_2kjg 1
76 1 2 . . . . . . . . . 69 . n parsed_2kjg 1
77 1 1 . . . . . . . . . 66 . o parsed_2kjg 1
77 1 2 . . . . . . . . . 70 . hn parsed_2kjg 1
78 1 1 . . . . . . . . . 66 . o parsed_2kjg 1
78 1 2 . . . . . . . . . 70 . n parsed_2kjg 1
79 1 1 . . . . . . . . . 67 . o parsed_2kjg 1
79 1 2 . . . . . . . . . 71 . hn parsed_2kjg 1
80 1 1 . . . . . . . . . 67 . o parsed_2kjg 1
80 1 2 . . . . . . . . . 71 . n parsed_2kjg 1
81 1 1 . . . . . . . . . 68 . o parsed_2kjg 1
81 1 2 . . . . . . . . . 72 . hn parsed_2kjg 1
82 1 1 . . . . . . . . . 68 . o parsed_2kjg 1
82 1 2 . . . . . . . . . 72 . n parsed_2kjg 1
83 1 1 . . . . . . . . . 69 . o parsed_2kjg 1
83 1 2 . . . . . . . . . 73 . hn parsed_2kjg 1
84 1 1 . . . . . . . . . 69 . o parsed_2kjg 1
84 1 2 . . . . . . . . . 73 . n parsed_2kjg 1
85 1 1 . . . . . . . . . 70 . o parsed_2kjg 1
85 1 2 . . . . . . . . . 74 . hn parsed_2kjg 1
86 1 1 . . . . . . . . . 70 . o parsed_2kjg 1
86 1 2 . . . . . . . . . 74 . n parsed_2kjg 1
87 1 1 . . . . . . . . . 71 . o parsed_2kjg 1
87 1 2 . . . . . . . . . 75 . hn parsed_2kjg 1
88 1 1 . . . . . . . . . 71 . o parsed_2kjg 1
88 1 2 . . . . . . . . . 75 . n parsed_2kjg 1
89 1 1 . . . . . . . . . 79 . o parsed_2kjg 1
89 1 2 . . . . . . . . . 83 . hn parsed_2kjg 1
90 1 1 . . . . . . . . . 79 . o parsed_2kjg 1
90 1 2 . . . . . . . . . 83 . n parsed_2kjg 1
91 1 1 . . . . . . . . . 80 . o parsed_2kjg 1
91 1 2 . . . . . . . . . 84 . hn parsed_2kjg 1
92 1 1 . . . . . . . . . 80 . o parsed_2kjg 1
92 1 2 . . . . . . . . . 84 . n parsed_2kjg 1
93 1 1 . . . . . . . . . 81 . o parsed_2kjg 1
93 1 2 . . . . . . . . . 85 . hn parsed_2kjg 1
94 1 1 . . . . . . . . . 81 . o parsed_2kjg 1
94 1 2 . . . . . . . . . 85 . n parsed_2kjg 1
95 1 1 . . . . . . . . . 82 . o parsed_2kjg 1
95 1 2 . . . . . . . . . 86 . hn parsed_2kjg 1
96 1 1 . . . . . . . . . 82 . o parsed_2kjg 1
96 1 2 . . . . . . . . . 86 . n parsed_2kjg 1
97 1 1 . . . . . . . . . 83 . o parsed_2kjg 1
97 1 2 . . . . . . . . . 87 . hn parsed_2kjg 1
98 1 1 . . . . . . . . . 83 . o parsed_2kjg 1
98 1 2 . . . . . . . . . 87 . n parsed_2kjg 1
99 1 1 . . . . . . . . . 84 . o parsed_2kjg 1
99 1 2 . . . . . . . . . 88 . hn parsed_2kjg 1
100 1 1 . . . . . . . . . 84 . o parsed_2kjg 1
100 1 2 . . . . . . . . . 88 . n parsed_2kjg 1
101 1 1 . . . . . . . . . 85 . o parsed_2kjg 1
101 1 2 . . . . . . . . . 89 . hn parsed_2kjg 1
102 1 1 . . . . . . . . . 85 . o parsed_2kjg 1
102 1 2 . . . . . . . . . 89 . n parsed_2kjg 1
103 1 1 . . . . . . . . . 86 . o parsed_2kjg 1
103 1 2 . . . . . . . . . 90 . hn parsed_2kjg 1
104 1 1 . . . . . . . . . 86 . o parsed_2kjg 1
104 1 2 . . . . . . . . . 90 . n parsed_2kjg 1
105 1 1 . . . . . . . . . 87 . o parsed_2kjg 1
105 1 2 . . . . . . . . . 91 . hn parsed_2kjg 1
106 1 1 . . . . . . . . . 87 . o parsed_2kjg 1
106 1 2 . . . . . . . . . 91 . n parsed_2kjg 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 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
2 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
3 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
4 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
5 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
6 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
7 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
8 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
9 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
10 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
11 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
12 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
13 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
14 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
15 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
16 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
17 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
18 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
19 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
20 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
21 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
22 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
23 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
24 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
25 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
26 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
27 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
28 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
29 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
30 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
31 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
32 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
33 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
34 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
35 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
36 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
37 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
38 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
39 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
40 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
41 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
42 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
43 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
44 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
45 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
46 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
47 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
48 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
49 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
50 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
51 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
52 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
53 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
54 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
55 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
56 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
57 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
58 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
59 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
60 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
61 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
62 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
63 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
64 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
65 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
66 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
67 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
68 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
69 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
70 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
71 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
72 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
73 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
74 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
75 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
76 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
77 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
78 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
79 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
80 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
81 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
82 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
83 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
84 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
85 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
86 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
87 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
88 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
89 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
90 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
91 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
92 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
93 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
94 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
95 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
96 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
97 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
98 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
99 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
100 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
101 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
102 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
103 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
104 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 1
105 1 . . . . . 2.0 1.5 2.5 parsed_2kjg 1
106 1 . . . . . 3.0 2.5 3.5 parsed_2kjg 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
;
alph1
assign (resid 70 and name o ) (resid 74 and name hn ) 2.0 0.5 0.5 !hbond
assign (resid 70 and name o ) (resid 74 and name n ) 3.0 0.5 0.5 !hbond
beta
assign (resid 170 and name o ) (resid 3 and name hn ) 2.0 0.5 0.5 !hbond
assign (resid 170 and name o ) (resid 3 and name n ) 3.0 0.5 0.5 !hbond
alpha1
;
1 1 9 8 parsed_2kjg 1
2 hbond 10 67 10 73 parsed_2kjg 1
3 hbond 11 66 11 72 parsed_2kjg 1
4 hbond 12 67 12 73 parsed_2kjg 1
5 hbond 13 66 13 72 parsed_2kjg 1
6 hbond 14 67 14 73 parsed_2kjg 1
7 hbond 15 66 15 72 parsed_2kjg 1
8 hbond 16 68 16 74 parsed_2kjg 1
9 hbond 17 67 17 73 parsed_2kjg 1
10 hbond 18 68 18 74 parsed_2kjg 1
11 hbond 19 67 19 73 parsed_2kjg 1
12 hbond 20 68 20 74 parsed_2kjg 1
13
;
hbond
alpha2
;
21 67 24 8 parsed_2kjg 1
14 hbond 25 68 25 74 parsed_2kjg 1
15 hbond 26 67 26 73 parsed_2kjg 1
16 hbond 27 68 27 74 parsed_2kjg 1
17 hbond 28 67 28 73 parsed_2kjg 1
18 hbond 29 68 29 74 parsed_2kjg 1
19 hbond 30 67 30 73 parsed_2kjg 1
20 hbond 31 68 31 74 parsed_2kjg 1
21 hbond 32 67 32 73 parsed_2kjg 1
22 hbond 33 68 33 74 parsed_2kjg 1
23 hbond 34 67 34 73 parsed_2kjg 1
24 hbond 35 68 35 74 parsed_2kjg 1
25 hbond 36 67 36 73 parsed_2kjg 1
26 hbond 37 68 37 74 parsed_2kjg 1
27 hbond 38 67 38 73 parsed_2kjg 1
28 hbond 39 68 39 74 parsed_2kjg 1
29 hbond 40 67 40 73 parsed_2kjg 1
30 hbond 41 68 41 74 parsed_2kjg 1
31 hbond 42 67 42 73 parsed_2kjg 1
32 hbond 43 68 43 74 parsed_2kjg 1
33 hbond 44 67 44 73 parsed_2kjg 1
34 hbond 45 68 45 74 parsed_2kjg 1
35 hbond 46 67 46 73 parsed_2kjg 1
36 hbond 47 68 47 74 parsed_2kjg 1
37 hbond 48 67 48 73 parsed_2kjg 1
38 hbond 49 68 49 74 parsed_2kjg 1
39
;
hbond
alpha3
;
50 67 52 8 parsed_2kjg 1
40 hbond 53 68 53 74 parsed_2kjg 1
41 hbond 54 67 54 73 parsed_2kjg 1
42 hbond 55 68 55 74 parsed_2kjg 1
43 hbond 56 67 56 73 parsed_2kjg 1
44 hbond 57 68 57 74 parsed_2kjg 1
45 hbond 58 67 58 73 parsed_2kjg 1
46 hbond 59 68 59 74 parsed_2kjg 1
47 hbond 60 67 60 73 parsed_2kjg 1
48 hbond 61 68 61 74 parsed_2kjg 1
49 hbond 62 67 62 73 parsed_2kjg 1
50 hbond 63 68 63 74 parsed_2kjg 1
51 hbond 64 67 64 73 parsed_2kjg 1
52 hbond 65 68 65 74 parsed_2kjg 1
53 hbond 66 67 66 73 parsed_2kjg 1
54 hbond 67 68 67 74 parsed_2kjg 1
55 hbond 68 67 68 73 parsed_2kjg 1
56 hbond 69 68 69 74 parsed_2kjg 1
57
;
hbond
assign (resid 49 and name o ) (resid 53 and name hn ) 2.0 0.5 0.5 !hbond
assign (resid 49 and name o ) (resid 53 and name n ) 3.0 0.5 0.5 !hbond
alpha4
assign (resid 52 and name o ) (resid 56 and name hn ) 2.0 0.5 0.5 !hbond
assign (resid 52 and name o ) (resid 56 and name n ) 3.0 0.5 0.5 !hbond
;
70 67 76 74 parsed_2kjg 1
58 hbond 77 68 77 74 parsed_2kjg 1
59 hbond 78 67 78 73 parsed_2kjg 1
60 hbond 79 68 79 74 parsed_2kjg 1
61 hbond 80 67 80 73 parsed_2kjg 1
62 hbond 81 68 81 74 parsed_2kjg 1
63
;
hbond
alpha5
;
82 67 84 8 parsed_2kjg 1
64 hbond 85 68 85 74 parsed_2kjg 1
65 hbond 86 67 86 73 parsed_2kjg 1
66 hbond 87 68 87 74 parsed_2kjg 1
67 hbond 88 67 88 73 parsed_2kjg 1
68 hbond 89 68 89 74 parsed_2kjg 1
69 hbond 90 67 90 73 parsed_2kjg 1
70 hbond 91 68 91 74 parsed_2kjg 1
71 hbond 92 67 92 73 parsed_2kjg 1
72 hbond 93 68 93 74 parsed_2kjg 1
73 hbond 94 67 94 73 parsed_2kjg 1
74 hbond 95 68 95 74 parsed_2kjg 1
75 hbond 96 67 96 73 parsed_2kjg 1
76 hbond 97 68 97 74 parsed_2kjg 1
77 hbond 98 67 98 73 parsed_2kjg 1
78 hbond 99 68 99 74 parsed_2kjg 1
79 hbond 100 67 100 73 parsed_2kjg 1
80 hbond 101 68 101 74 parsed_2kjg 1
81 hbond 102 67 102 73 parsed_2kjg 1
82 hbond 103 68 103 74 parsed_2kjg 1
83 hbond 104 67 104 73 parsed_2kjg 1
84 hbond 105 68 105 74 parsed_2kjg 1
85 hbond 106 67 106 73 parsed_2kjg 1
86 hbond 107 68 107 74 parsed_2kjg 1
87 hbond 108 67 108 73 parsed_2kjg 1
88 hbond 109 68 109 74 parsed_2kjg 1
89
;
hbond
assign (resid 72 and name o ) (resid 76 and name hn ) 2.0 0.5 0.5 !hbond
assign (resid 72 and name o ) (resid 76 and name n ) 3.0 0.5 0.5 !hbond
assign (resid 73 and name o ) (resid 77 and name hn ) 2.0 0.5 0.5 !hbond
assign (resid 73 and name o ) (resid 77 and name n ) 3.0 0.5 0.5 !hbond
assign (resid 74 and name o ) (resid 78 and name hn ) 2.0 0.5 0.5 !hbond
assign (resid 74 and name o ) (resid 78 and name n ) 3.0 0.5 0.5 !hbond
alpha6
;
110 67 118 8 parsed_2kjg 1
90 hbond 119 68 119 74 parsed_2kjg 1
91 hbond 120 67 120 73 parsed_2kjg 1
92 hbond 121 68 121 74 parsed_2kjg 1
93 hbond 122 67 122 73 parsed_2kjg 1
94 hbond 123 68 123 74 parsed_2kjg 1
95 hbond 124 67 124 73 parsed_2kjg 1
96 hbond 125 68 125 74 parsed_2kjg 1
97 hbond 126 67 126 73 parsed_2kjg 1
98 hbond 127 68 127 74 parsed_2kjg 1
99 hbond 128 67 128 73 parsed_2kjg 1
100 hbond 129 68 129 74 parsed_2kjg 1
101 hbond 130 67 130 73 parsed_2kjg 1
102 hbond 131 68 131 74 parsed_2kjg 1
103 hbond 132 67 132 73 parsed_2kjg 1
104 hbond 133 68 133 74 parsed_2kjg 1
105 hbond 134 67 134 73 parsed_2kjg 1
106 hbond 135 68 135 74 parsed_2kjg 1
107 hbond 136 67 136 73 parsed_2kjg 1
stop_
save_
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