NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
45520 |
2e8d   |
10022 | cing | 2-parsed | STAR | distance | general distance | simple | 111 |
data_2e8d_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2e8d
_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_2e8d 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2e8d
_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 2e8d "Master copy" parsed_2e8d
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2e8d
_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 2e8d.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2e8d 1
1 2e8d.mr . . XPLOR/CNS 2 distance "general distance" simple 111 parsed_2e8d 1
1 2e8d.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2e8d 1
1 2e8d.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2e8d 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2e8d
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_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_2e8d 1
2 1 . . . parsed_2e8d 1
3 1 . . . parsed_2e8d 1
4 1 . . . parsed_2e8d 1
5 1 . . . parsed_2e8d 1
6 1 . . . parsed_2e8d 1
7 1 . . . parsed_2e8d 1
8 1 . . . parsed_2e8d 1
9 1 . . . parsed_2e8d 1
10 1 . . . parsed_2e8d 1
11 1 . . . parsed_2e8d 1
12 1 . . . parsed_2e8d 1
13 1 . . . parsed_2e8d 1
14 1 . . . parsed_2e8d 1
15 1 . . . parsed_2e8d 1
16 1 . . . parsed_2e8d 1
17 1 . . . parsed_2e8d 1
18 1 . . . parsed_2e8d 1
19 1 . . . parsed_2e8d 1
20 1 . . . parsed_2e8d 1
21 1 . . . parsed_2e8d 1
22 1 . . . parsed_2e8d 1
23 1 . . . parsed_2e8d 1
24 1 . . . parsed_2e8d 1
25 1 . . . parsed_2e8d 1
26 1 . . . parsed_2e8d 1
27 1 . . . parsed_2e8d 1
28 1 . . . parsed_2e8d 1
29 1 . . . parsed_2e8d 1
30 1 . . . parsed_2e8d 1
31 1 . . . parsed_2e8d 1
32 1 . . . parsed_2e8d 1
33 1 . . . parsed_2e8d 1
34 1 . . . parsed_2e8d 1
35 1 . . . parsed_2e8d 1
36 1 . . . parsed_2e8d 1
37 1 . . . parsed_2e8d 1
38 1 . . . parsed_2e8d 1
39 1 . . . parsed_2e8d 1
40 1 . . . parsed_2e8d 1
41 1 . . . parsed_2e8d 1
42 1 . . . parsed_2e8d 1
43 1 . . . parsed_2e8d 1
44 1 . . . parsed_2e8d 1
45 1 . . . parsed_2e8d 1
46 1 . . . parsed_2e8d 1
47 1 . . . parsed_2e8d 1
48 1 . . . parsed_2e8d 1
49 1 . . . parsed_2e8d 1
50 1 . . . parsed_2e8d 1
51 1 . . . parsed_2e8d 1
52 1 . . . parsed_2e8d 1
53 1 . . . parsed_2e8d 1
54 1 . . . parsed_2e8d 1
55 1 . . . parsed_2e8d 1
56 1 . . . parsed_2e8d 1
57 1 . . . parsed_2e8d 1
58 1 . . . parsed_2e8d 1
59 1 . . . parsed_2e8d 1
60 1 . . . parsed_2e8d 1
61 1 . . . parsed_2e8d 1
62 1 . . . parsed_2e8d 1
63 1 . . . parsed_2e8d 1
64 1 . . . parsed_2e8d 1
65 1 . . . parsed_2e8d 1
66 1 . . . parsed_2e8d 1
67 1 . . . parsed_2e8d 1
68 1 . . . parsed_2e8d 1
69 1 . . . parsed_2e8d 1
70 1 . . . parsed_2e8d 1
71 1 . . . parsed_2e8d 1
72 1 . . . parsed_2e8d 1
73 1 . . . parsed_2e8d 1
74 1 . . . parsed_2e8d 1
75 1 . . . parsed_2e8d 1
76 1 . . . parsed_2e8d 1
77 1 . . . parsed_2e8d 1
78 1 . . . parsed_2e8d 1
79 1 . . . parsed_2e8d 1
80 1 . . . parsed_2e8d 1
81 1 . . . parsed_2e8d 1
82 1 . . . parsed_2e8d 1
83 1 . . . parsed_2e8d 1
84 1 . . . parsed_2e8d 1
85 1 . . . parsed_2e8d 1
86 1 . . . parsed_2e8d 1
87 1 . . . parsed_2e8d 1
88 1 . . . parsed_2e8d 1
89 1 . . . parsed_2e8d 1
90 1 . . . parsed_2e8d 1
91 1 . . . parsed_2e8d 1
92 1 . . . parsed_2e8d 1
93 1 . . . parsed_2e8d 1
94 1 . . . parsed_2e8d 1
95 1 . . . parsed_2e8d 1
96 1 . . . parsed_2e8d 1
97 1 . . . parsed_2e8d 1
98 1 . . . parsed_2e8d 1
99 1 . . . parsed_2e8d 1
100 1 . . . parsed_2e8d 1
101 1 . . . parsed_2e8d 1
102 1 . . . parsed_2e8d 1
103 1 . . . parsed_2e8d 1
104 1 . . . parsed_2e8d 1
105 1 . . . parsed_2e8d 1
106 1 . . . parsed_2e8d 1
107 1 . . . parsed_2e8d 1
108 1 . . . parsed_2e8d 1
109 1 . . . parsed_2e8d 1
110 1 . . . parsed_2e8d 1
111 1 . . . parsed_2e8d 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 . . . . . . . . . 3 . CA parsed_2e8d 1
1 1 2 . . . . . . . . . 4 . CD1# parsed_2e8d 1
2 1 1 . . . . . . . . . 3 . CE1# parsed_2e8d 1
2 1 2 . . . . . . . . . 5 . CA parsed_2e8d 1
3 1 1 . . . . . . . . . 3 . CZ parsed_2e8d 1
3 1 2 . . . . . . . . . 5 . CA parsed_2e8d 1
4 1 1 . . . . . . . . . 3 . CD2# parsed_2e8d 1
4 1 2 . . . . . . . . . 20 . CG parsed_2e8d 1
5 1 1 . . . . . . . . . 5 . CB parsed_2e8d 1
5 1 2 . . . . . . . . . 18 . CG1# parsed_2e8d 1
6 1 1 . . . . . . . . . 7 . CG parsed_2e8d 1
6 1 2 . . . . . . . . . 7 . C parsed_2e8d 1
7 1 1 . . . . . . . . . 7 . CD2# parsed_2e8d 1
7 1 2 . . . . . . . . . 8 . CA parsed_2e8d 1
8 1 1 . . . . . . . . . 11 . CE2# parsed_2e8d 1
8 1 2 . . . . . . . . . 16 . CG1# parsed_2e8d 1
9 1 1 . . . . . . . . . 17 . CA parsed_2e8d 1
9 1 2 . . . . . . . . . 18 . CG2# parsed_2e8d 1
10 1 1 . . . . . . . . . 18 . CA parsed_2e8d 1
10 1 2 . . . . . . . . . 17 . CG parsed_2e8d 1
11 1 1 . . . . . . . . . 18 . CG1# parsed_2e8d 1
11 1 2 . . . . . . . . . 19 . CA parsed_2e8d 1
12 1 1 . . . . . . . . . 19 . CA parsed_2e8d 1
12 1 2 . . . . . . . . . 20 . CD1# parsed_2e8d 1
13 1 1 . . . . . . . . . 25 . CA parsed_2e8d 1
13 1 2 . . . . . . . . . 26 . CD1# parsed_2e8d 1
14 1 1 . . . . . . . . . 25 . CE1# parsed_2e8d 1
14 1 2 . . . . . . . . . 27 . CA parsed_2e8d 1
15 1 1 . . . . . . . . . 25 . CZ parsed_2e8d 1
15 1 2 . . . . . . . . . 27 . CA parsed_2e8d 1
16 1 1 . . . . . . . . . 25 . CD2# parsed_2e8d 1
16 1 2 . . . . . . . . . 42 . CG parsed_2e8d 1
17 1 1 . . . . . . . . . 27 . CB parsed_2e8d 1
17 1 2 . . . . . . . . . 40 . CG1# parsed_2e8d 1
18 1 1 . . . . . . . . . 29 . CG parsed_2e8d 1
18 1 2 . . . . . . . . . 29 . C parsed_2e8d 1
19 1 1 . . . . . . . . . 29 . CD2# parsed_2e8d 1
19 1 2 . . . . . . . . . 30 . CA parsed_2e8d 1
20 1 1 . . . . . . . . . 33 . CE2# parsed_2e8d 1
20 1 2 . . . . . . . . . 38 . CG1# parsed_2e8d 1
21 1 1 . . . . . . . . . 39 . CA parsed_2e8d 1
21 1 2 . . . . . . . . . 40 . CG2# parsed_2e8d 1
22 1 1 . . . . . . . . . 40 . CA parsed_2e8d 1
22 1 2 . . . . . . . . . 39 . CG parsed_2e8d 1
23 1 1 . . . . . . . . . 40 . CG1# parsed_2e8d 1
23 1 2 . . . . . . . . . 41 . CA parsed_2e8d 1
24 1 1 . . . . . . . . . 41 . CA parsed_2e8d 1
24 1 2 . . . . . . . . . 42 . CD1# parsed_2e8d 1
25 1 1 . . . . . . . . . 47 . CA parsed_2e8d 1
25 1 2 . . . . . . . . . 48 . CD1# parsed_2e8d 1
26 1 1 . . . . . . . . . 47 . CE1# parsed_2e8d 1
26 1 2 . . . . . . . . . 49 . CA parsed_2e8d 1
27 1 1 . . . . . . . . . 47 . CZ parsed_2e8d 1
27 1 2 . . . . . . . . . 49 . CA parsed_2e8d 1
28 1 1 . . . . . . . . . 47 . CD2# parsed_2e8d 1
28 1 2 . . . . . . . . . 64 . CG parsed_2e8d 1
29 1 1 . . . . . . . . . 49 . CB parsed_2e8d 1
29 1 2 . . . . . . . . . 62 . CG1# parsed_2e8d 1
30 1 1 . . . . . . . . . 51 . CG parsed_2e8d 1
30 1 2 . . . . . . . . . 51 . C parsed_2e8d 1
31 1 1 . . . . . . . . . 51 . CD2# parsed_2e8d 1
31 1 2 . . . . . . . . . 52 . CA parsed_2e8d 1
32 1 1 . . . . . . . . . 55 . CE2# parsed_2e8d 1
32 1 2 . . . . . . . . . 60 . CG1# parsed_2e8d 1
33 1 1 . . . . . . . . . 61 . CA parsed_2e8d 1
33 1 2 . . . . . . . . . 62 . CG2# parsed_2e8d 1
34 1 1 . . . . . . . . . 62 . CA parsed_2e8d 1
34 1 2 . . . . . . . . . 61 . CG parsed_2e8d 1
35 1 1 . . . . . . . . . 62 . CG1# parsed_2e8d 1
35 1 2 . . . . . . . . . 63 . CA parsed_2e8d 1
36 1 1 . . . . . . . . . 63 . CA parsed_2e8d 1
36 1 2 . . . . . . . . . 64 . CD1# parsed_2e8d 1
37 1 1 . . . . . . . . . 69 . CA parsed_2e8d 1
37 1 2 . . . . . . . . . 70 . CD1# parsed_2e8d 1
38 1 1 . . . . . . . . . 69 . CE1# parsed_2e8d 1
38 1 2 . . . . . . . . . 71 . CA parsed_2e8d 1
39 1 1 . . . . . . . . . 69 . CZ parsed_2e8d 1
39 1 2 . . . . . . . . . 71 . CA parsed_2e8d 1
40 1 1 . . . . . . . . . 69 . CD2# parsed_2e8d 1
40 1 2 . . . . . . . . . 86 . CG parsed_2e8d 1
41 1 1 . . . . . . . . . 71 . CB parsed_2e8d 1
41 1 2 . . . . . . . . . 84 . CG1# parsed_2e8d 1
42 1 1 . . . . . . . . . 73 . CG parsed_2e8d 1
42 1 2 . . . . . . . . . 71 . C parsed_2e8d 1
43 1 1 . . . . . . . . . 73 . CD2# parsed_2e8d 1
43 1 2 . . . . . . . . . 74 . CA parsed_2e8d 1
44 1 1 . . . . . . . . . 77 . CE2# parsed_2e8d 1
44 1 2 . . . . . . . . . 82 . CG1# parsed_2e8d 1
45 1 1 . . . . . . . . . 83 . CA parsed_2e8d 1
45 1 2 . . . . . . . . . 84 . CG2# parsed_2e8d 1
46 1 1 . . . . . . . . . 84 . CA parsed_2e8d 1
46 1 2 . . . . . . . . . 83 . CG parsed_2e8d 1
47 1 1 . . . . . . . . . 84 . CG1# parsed_2e8d 1
47 1 2 . . . . . . . . . 85 . CA parsed_2e8d 1
48 1 1 . . . . . . . . . 85 . CA parsed_2e8d 1
48 1 2 . . . . . . . . . 86 . CD1# parsed_2e8d 1
49 1 1 . . . . . . . . . 3 . CZ parsed_2e8d 1
49 1 2 . . . . . . . . . 42 . CD1# parsed_2e8d 1
50 1 1 . . . . . . . . . 3 . CZ parsed_2e8d 1
50 1 2 . . . . . . . . . 42 . CG parsed_2e8d 1
51 1 1 . . . . . . . . . 3 . CE2# parsed_2e8d 1
51 1 2 . . . . . . . . . 42 . CG parsed_2e8d 1
52 1 1 . . . . . . . . . 3 . CE1# parsed_2e8d 1
52 1 2 . . . . . . . . . 40 . CG1# parsed_2e8d 1
53 1 1 . . . . . . . . . 7 . CE1# parsed_2e8d 1
53 1 2 . . . . . . . . . 33 . CE1# parsed_2e8d 1
54 1 1 . . . . . . . . . 7 . CZ parsed_2e8d 1
54 1 2 . . . . . . . . . 33 . CZ parsed_2e8d 1
55 1 1 . . . . . . . . . 11 . CE2# parsed_2e8d 1
55 1 2 . . . . . . . . . 36 . CB parsed_2e8d 1
56 1 1 . . . . . . . . . 3 . HN parsed_2e8d 1
56 1 2 . . . . . . . . . 24 . O parsed_2e8d 1
57 1 1 . . . . . . . . . 5 . HN parsed_2e8d 1
57 1 2 . . . . . . . . . 26 . O parsed_2e8d 1
58 1 1 . . . . . . . . . 7 . HN parsed_2e8d 1
58 1 2 . . . . . . . . . 28 . O parsed_2e8d 1
59 1 1 . . . . . . . . . 9 . HN parsed_2e8d 1
59 1 2 . . . . . . . . . 30 . O parsed_2e8d 1
60 1 1 . . . . . . . . . 26 . HN parsed_2e8d 1
60 1 2 . . . . . . . . . 3 . O parsed_2e8d 1
61 1 1 . . . . . . . . . 28 . HN parsed_2e8d 1
61 1 2 . . . . . . . . . 5 . O parsed_2e8d 1
62 1 1 . . . . . . . . . 30 . HN parsed_2e8d 1
62 1 2 . . . . . . . . . 7 . O parsed_2e8d 1
63 1 1 . . . . . . . . . 16 . HN parsed_2e8d 1
63 1 2 . . . . . . . . . 37 . O parsed_2e8d 1
64 1 1 . . . . . . . . . 18 . HN parsed_2e8d 1
64 1 2 . . . . . . . . . 39 . O parsed_2e8d 1
65 1 1 . . . . . . . . . 20 . HN parsed_2e8d 1
65 1 2 . . . . . . . . . 41 . O parsed_2e8d 1
66 1 1 . . . . . . . . . 37 . HN parsed_2e8d 1
66 1 2 . . . . . . . . . 14 . O parsed_2e8d 1
67 1 1 . . . . . . . . . 39 . HN parsed_2e8d 1
67 1 2 . . . . . . . . . 16 . O parsed_2e8d 1
68 1 1 . . . . . . . . . 41 . HN parsed_2e8d 1
68 1 2 . . . . . . . . . 18 . O parsed_2e8d 1
69 1 1 . . . . . . . . . 43 . HN parsed_2e8d 1
69 1 2 . . . . . . . . . 20 . O parsed_2e8d 1
70 1 1 . . . . . . . . . 25 . CZ parsed_2e8d 1
70 1 2 . . . . . . . . . 64 . CD1# parsed_2e8d 1
71 1 1 . . . . . . . . . 25 . CZ parsed_2e8d 1
71 1 2 . . . . . . . . . 64 . CG parsed_2e8d 1
72 1 1 . . . . . . . . . 25 . CE2# parsed_2e8d 1
72 1 2 . . . . . . . . . 64 . CG parsed_2e8d 1
73 1 1 . . . . . . . . . 25 . CE1# parsed_2e8d 1
73 1 2 . . . . . . . . . 62 . CG1# parsed_2e8d 1
74 1 1 . . . . . . . . . 29 . CE1# parsed_2e8d 1
74 1 2 . . . . . . . . . 55 . CE1# parsed_2e8d 1
75 1 1 . . . . . . . . . 29 . CZ parsed_2e8d 1
75 1 2 . . . . . . . . . 55 . CZ parsed_2e8d 1
76 1 1 . . . . . . . . . 33 . CE2# parsed_2e8d 1
76 1 2 . . . . . . . . . 58 . CB parsed_2e8d 1
77 1 1 . . . . . . . . . 25 . HN parsed_2e8d 1
77 1 2 . . . . . . . . . 46 . O parsed_2e8d 1
78 1 1 . . . . . . . . . 27 . HN parsed_2e8d 1
78 1 2 . . . . . . . . . 48 . O parsed_2e8d 1
79 1 1 . . . . . . . . . 29 . HN parsed_2e8d 1
79 1 2 . . . . . . . . . 50 . O parsed_2e8d 1
80 1 1 . . . . . . . . . 31 . HN parsed_2e8d 1
80 1 2 . . . . . . . . . 52 . O parsed_2e8d 1
81 1 1 . . . . . . . . . 48 . HN parsed_2e8d 1
81 1 2 . . . . . . . . . 25 . O parsed_2e8d 1
82 1 1 . . . . . . . . . 50 . HN parsed_2e8d 1
82 1 2 . . . . . . . . . 27 . O parsed_2e8d 1
83 1 1 . . . . . . . . . 52 . HN parsed_2e8d 1
83 1 2 . . . . . . . . . 29 . O parsed_2e8d 1
84 1 1 . . . . . . . . . 38 . HN parsed_2e8d 1
84 1 2 . . . . . . . . . 59 . O parsed_2e8d 1
85 1 1 . . . . . . . . . 40 . HN parsed_2e8d 1
85 1 2 . . . . . . . . . 61 . O parsed_2e8d 1
86 1 1 . . . . . . . . . 42 . HN parsed_2e8d 1
86 1 2 . . . . . . . . . 63 . O parsed_2e8d 1
87 1 1 . . . . . . . . . 59 . HN parsed_2e8d 1
87 1 2 . . . . . . . . . 36 . O parsed_2e8d 1
88 1 1 . . . . . . . . . 61 . HN parsed_2e8d 1
88 1 2 . . . . . . . . . 38 . O parsed_2e8d 1
89 1 1 . . . . . . . . . 63 . HN parsed_2e8d 1
89 1 2 . . . . . . . . . 40 . O parsed_2e8d 1
90 1 1 . . . . . . . . . 65 . HN parsed_2e8d 1
90 1 2 . . . . . . . . . 42 . O parsed_2e8d 1
91 1 1 . . . . . . . . . 47 . CZ parsed_2e8d 1
91 1 2 . . . . . . . . . 86 . CD1# parsed_2e8d 1
92 1 1 . . . . . . . . . 47 . CZ parsed_2e8d 1
92 1 2 . . . . . . . . . 86 . CG parsed_2e8d 1
93 1 1 . . . . . . . . . 47 . CE2# parsed_2e8d 1
93 1 2 . . . . . . . . . 86 . CG parsed_2e8d 1
94 1 1 . . . . . . . . . 47 . CE1# parsed_2e8d 1
94 1 2 . . . . . . . . . 84 . CG1# parsed_2e8d 1
95 1 1 . . . . . . . . . 51 . CE1# parsed_2e8d 1
95 1 2 . . . . . . . . . 77 . CE1# parsed_2e8d 1
96 1 1 . . . . . . . . . 51 . CZ parsed_2e8d 1
96 1 2 . . . . . . . . . 77 . CZ parsed_2e8d 1
97 1 1 . . . . . . . . . 55 . CE2# parsed_2e8d 1
97 1 2 . . . . . . . . . 80 . CB parsed_2e8d 1
98 1 1 . . . . . . . . . 47 . HN parsed_2e8d 1
98 1 2 . . . . . . . . . 68 . O parsed_2e8d 1
99 1 1 . . . . . . . . . 49 . HN parsed_2e8d 1
99 1 2 . . . . . . . . . 70 . O parsed_2e8d 1
100 1 1 . . . . . . . . . 51 . HN parsed_2e8d 1
100 1 2 . . . . . . . . . 72 . O parsed_2e8d 1
101 1 1 . . . . . . . . . 53 . HN parsed_2e8d 1
101 1 2 . . . . . . . . . 74 . O parsed_2e8d 1
102 1 1 . . . . . . . . . 70 . HN parsed_2e8d 1
102 1 2 . . . . . . . . . 47 . O parsed_2e8d 1
103 1 1 . . . . . . . . . 72 . HN parsed_2e8d 1
103 1 2 . . . . . . . . . 49 . O parsed_2e8d 1
104 1 1 . . . . . . . . . 74 . HN parsed_2e8d 1
104 1 2 . . . . . . . . . 51 . O parsed_2e8d 1
105 1 1 . . . . . . . . . 60 . HN parsed_2e8d 1
105 1 2 . . . . . . . . . 81 . O parsed_2e8d 1
106 1 1 . . . . . . . . . 62 . HN parsed_2e8d 1
106 1 2 . . . . . . . . . 83 . O parsed_2e8d 1
107 1 1 . . . . . . . . . 64 . HN parsed_2e8d 1
107 1 2 . . . . . . . . . 85 . O parsed_2e8d 1
108 1 1 . . . . . . . . . 81 . HN parsed_2e8d 1
108 1 2 . . . . . . . . . 58 . O parsed_2e8d 1
109 1 1 . . . . . . . . . 83 . HN parsed_2e8d 1
109 1 2 . . . . . . . . . 60 . O parsed_2e8d 1
110 1 1 . . . . . . . . . 85 . HN parsed_2e8d 1
110 1 2 . . . . . . . . . 62 . O parsed_2e8d 1
111 1 1 . . . . . . . . . 87 . HN parsed_2e8d 1
111 1 2 . . . . . . . . . 64 . O parsed_2e8d 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 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
2 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
3 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
4 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
5 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
6 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
7 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
8 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
9 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
10 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
11 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
12 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
13 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
14 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
15 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
16 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
17 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
18 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
19 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
20 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
21 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
22 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
23 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
24 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
25 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
26 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
27 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
28 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
29 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
30 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
31 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
32 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
33 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
34 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
35 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
36 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
37 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
38 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
39 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
40 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
41 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
42 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
43 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
44 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
45 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
46 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
47 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
48 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
49 1 . . . . . 2.5 2.0 3.0 parsed_2e8d 1
50 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
51 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
52 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
53 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
54 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
55 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
56 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
57 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
58 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
59 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
60 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
61 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
62 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
63 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
64 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
65 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
66 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
67 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
68 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
69 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
70 1 . . . . . 2.5 2.0 3.0 parsed_2e8d 1
71 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
72 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
73 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
74 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
75 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
76 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
77 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
78 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
79 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
80 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
81 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
82 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
83 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
84 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
85 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
86 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
87 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
88 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
89 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
90 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
91 1 . . . . . 2.5 2.0 3.0 parsed_2e8d 1
92 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
93 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
94 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
95 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
96 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
97 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
98 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
99 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
100 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
101 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
102 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
103 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
104 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
105 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
106 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
107 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
108 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
109 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
110 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
111 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 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
;
!K3 amyloid fibrils (20% TFE 10 mM HCl) for 4 mol(1)
!Distance restraints
Molecular A (1-22)
Ser20
Asn21
Phe22
;
2 1 8 7 parsed_2e8d 1
2 Phe22Ca-Leu23Cd 9 70 9 86 parsed_2e8d 1
3 Phe22Ce-Asn24Ca 10 70 10 86 parsed_2e8d 1
4 Phe22Cz-Asn24Ca 11 68 11 84 parsed_2e8d 1
5
;
Phe22Cd-Leu39Cr
Leu23
Asn24
;
12 71 14 7 parsed_2e8d 1
6
;
Asn24Cb-Val37Cr
Cys25
Tyr26
;
15 71 17 7 parsed_2e8d 1
7 Tyr26Cd-Tyr26Co 18 67 18 83 parsed_2e8d 1
8
;
Tyr26Ce-Val27Ca
Val27
Ser28
assign ( resid 9 and name CB ) ( resid 11 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca
Gly29
Phe30
;
19 70 24 7 parsed_2e8d 1
9
;
Phe30Ce-Ile35Cg
His31
Pro32
Ser33
Asp34
Ile35
Glu36
;
25 74 31 7 parsed_2e8d 1
10
;
Glu36Ca-Val37Cg
Val37
;
32 72 33 7 parsed_2e8d 1
11 Val37Ca-Glu36Cg 34 70 34 86 parsed_2e8d 1
12
;
Val37Cg-Asp38Ca
Asp38
;
35 72 36 7 parsed_2e8d 1
13
;
Asp38Ca-Leu39Cd
Leu39
Leu40
Lys41
Molecular B (23-44)
Ser20
Asn21
Phe22
;
37 72 45 7 parsed_2e8d 1
14 Phe22Ca-Leu23Cd 46 72 46 88 parsed_2e8d 1
15 Phe22Ce-Asn24Ca 47 72 47 88 parsed_2e8d 1
16 Phe22Cz-Asn24Ca 48 70 48 86 parsed_2e8d 1
17
;
Phe22Cd-Leu39Cr
Leu23
Asn24
;
49 72 51 7 parsed_2e8d 1
18
;
Asn24Cb-Val37Cr
Cys25
Tyr26
;
52 72 54 7 parsed_2e8d 1
19 Tyr26Cd-Tyr26Co 55 69 55 85 parsed_2e8d 1
20
;
Tyr26Ce-Val27Ca
Val27
Ser28
assign ( resid 31 and name CB ) ( resid 33 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca
Gly29
Phe30
;
56 72 61 7 parsed_2e8d 1
21
;
Phe30Ce-Ile35Cg
His31
Pro32
Ser33
Asp34
Ile35
Glu36
;
62 74 68 7 parsed_2e8d 1
22
;
Glu36Ca-Val37Cg
Val37
;
69 72 70 7 parsed_2e8d 1
23 Val37Ca-Glu36Cg 71 70 71 86 parsed_2e8d 1
24
;
Val37Cg-Asp38Ca
Asp38
;
72 72 73 7 parsed_2e8d 1
25
;
Asp38Ca-Leu39Cd
Leu39
Leu40
Lys41
Molecular C (45-66)
Ser20
Asn21
Phe22
;
74 72 82 7 parsed_2e8d 1
26 Phe22Ca-Leu23Cd 83 72 83 88 parsed_2e8d 1
27 Phe22Ce-Asn24Ca 84 72 84 88 parsed_2e8d 1
28 Phe22Cz-Asn24Ca 85 70 85 86 parsed_2e8d 1
29
;
Phe22Cd-Leu39Cr
Leu23
Asn24
;
86 72 88 7 parsed_2e8d 1
30
;
Asn24Cb-Val37Cr
Cys25
Tyr26
;
89 72 91 7 parsed_2e8d 1
31 Tyr26Ce-Val27Co 92 69 92 85 parsed_2e8d 1
32
;
Tyr26Ce-Val27Ca
Val27
Ser28
assign ( resid 53 and name CB ) ( resid 55 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca
Gly29
Phe30
;
93 72 98 7 parsed_2e8d 1
33
;
Phe30Ce-Ile35Cg
His31
Pro32
Ser33
Asp34
Ile35
Glu36
;
99 74 105 7 parsed_2e8d 1
34
;
Glu36Ca-Val37Cg
Val37
;
106 72 107 7 parsed_2e8d 1
35 Val37Ca-Glu36Cg 108 70 108 86 parsed_2e8d 1
36
;
Val37Cg-Asp38Ca
Asp38
;
109 72 110 7 parsed_2e8d 1
37
;
Asp38Ca-Leu39Cd
Leu39
Leu40
Lys41
Molecular D (67-88)
Ser20
Asn21
Phe22
;
111 72 119 7 parsed_2e8d 1
38 Phe22Ca-Leu23Cd 120 72 120 88 parsed_2e8d 1
39 Phe22Ca-Asn24Ca 121 72 121 88 parsed_2e8d 1
40 Phe22Cz-Asn24Ca 122 70 122 86 parsed_2e8d 1
41
;
Phe22Cd-Leu39Cr
Leu23
Asn24
;
123 72 125 7 parsed_2e8d 1
42
;
Asn24Cb-Val37Cr
Cys25
Tyr26
;
126 72 128 7 parsed_2e8d 1
43 Tyr26Ce-Tyr26Co 129 69 129 85 parsed_2e8d 1
44
;
Tyr26Ce-Val27Ca
Val27
Ser28
assign ( resid 75 and name CB ) ( resid 77 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca
Gly29
Phe30
;
130 72 135 7 parsed_2e8d 1
45
;
Phe30Ce-Ile35Cg
His31
Pro32
Ser33
Asp34
Ile35
Glu36
;
136 74 142 7 parsed_2e8d 1
46
;
Glu36Ca-Val37Cg
Val37
;
143 72 144 7 parsed_2e8d 1
47 Val37Ca-Glu36Cg 145 70 145 86 parsed_2e8d 1
48
;
Val37Cg-Asp38Ca
Asp38
;
146 72 147 7 parsed_2e8d 1
49
;
Asp38Ca-Leu39Cd
Leu39
Leu40
Lys41
!Inter-molecular (Mol A-Mol B)
!Sidechain
;
148 72 155 12 parsed_2e8d 1
50 Phe22Cz-Leu39Cd 157 71 157 87 parsed_2e8d 1
51 Phe22Cz-Leu39Cg 158 69 158 85 parsed_2e8d 1
52 Phe22Ce-Leu39Cg 159 72 159 88 parsed_2e8d 1
53 Phe22Ce-Val37Cg 160 73 160 89 parsed_2e8d 1
54 Tyr26Ce-Phe30Ce 161 73 161 89 parsed_2e8d 1
55 Tyr26Cz-Phe30Cz 162 69 162 85 parsed_2e8d 1
56
;
Phe30Ce-Ser33Cb
!Hydrogen Bond
;
163 72 165 16 parsed_2e8d 1
57 Phe22HN-Asn21CO 167 68 167 84 parsed_2e8d 1
58 Asn24HN-Leu23CO 168 68 168 84 parsed_2e8d 1
59 Tyr26HN-Cys25CO 169 68 169 84 parsed_2e8d 1
60 Ser28HN-Val27CO 170 68 170 84 parsed_2e8d 1
61 Phe22CO-Leu23NH 171 68 171 84 parsed_2e8d 1
62 Asn24CO-Cys25NH 172 68 172 84 parsed_2e8d 1
63 Tyr26CO-Val27NH 173 68 173 84 parsed_2e8d 1
64 Ile35HN-Asp34CO 175 69 175 85 parsed_2e8d 1
65 Val37HN-Glu36CO 176 69 176 85 parsed_2e8d 1
66 Leu39HN-Asp38CO 177 69 177 85 parsed_2e8d 1
67 Ser33CO-Asn34NH 178 69 178 85 parsed_2e8d 1
68 Ile35CO-Glu36NH 179 69 179 85 parsed_2e8d 1
69 Val37CO-Asn38NH 180 69 180 85 parsed_2e8d 1
70
;
Leu39CO-Leu40NH
!Inter-molecular (Mol B-Mol C)
!Sidechain
;
181 69 185 12 parsed_2e8d 1
71 Phe22Cz-Leu39Cd 187 72 187 88 parsed_2e8d 1
72 Phe22Cz-Leu39Cg 188 70 188 86 parsed_2e8d 1
73 Phe22Ce-Leu39Cg 189 73 189 89 parsed_2e8d 1
74 Phe22Ce-Val37Cg 190 74 190 90 parsed_2e8d 1
75 Tyr26Ce-Phe30Ce 191 74 191 90 parsed_2e8d 1
76 Tyr26Cz-Phe30Cz 192 70 192 86 parsed_2e8d 1
77
;
Phe30Ce-Ser33Cb
!Hydrogen Bond
;
193 72 195 16 parsed_2e8d 1
78 Phe22HN-Asn21CO 197 69 197 85 parsed_2e8d 1
79 Asn24HN-Leu23CO 198 69 198 85 parsed_2e8d 1
80 Tyr26HN-Cys25CO 199 69 199 85 parsed_2e8d 1
81 Ser28HN-Val27CO 200 69 200 85 parsed_2e8d 1
82 Phe22CO-Leu23NH 201 69 201 85 parsed_2e8d 1
83 Asn24CO-Cys25NH 202 69 202 85 parsed_2e8d 1
84 Tyr26CO-Val27NH 203 69 203 85 parsed_2e8d 1
85 Ile35HN-Asp34CO 205 69 205 85 parsed_2e8d 1
86 Val37HN-Glu36CO 206 69 206 85 parsed_2e8d 1
87 Leu39HN-Asp38CO 207 69 207 85 parsed_2e8d 1
88 Ser33CO-Asn34NH 208 69 208 85 parsed_2e8d 1
89 Ile35CO-Glu36NH 209 69 209 85 parsed_2e8d 1
90 Val37CO-Asn38NH 210 69 210 85 parsed_2e8d 1
91
;
Leu39CO-Leu40NH
!Inter-molecular (Mol C-Mol D)
!Sidechain
;
211 69 215 12 parsed_2e8d 1
92 Phe22Cz-Leu39Cd 217 72 217 88 parsed_2e8d 1
93 Phe22Cz-Leu39Cg 218 70 218 86 parsed_2e8d 1
94 Phe22Ce-Leu39Cg 219 73 219 89 parsed_2e8d 1
95 Phe22Ce-Val37Cg 220 74 220 90 parsed_2e8d 1
96 Tyr26Ce-Phe30Ce 221 74 221 90 parsed_2e8d 1
97 Tyr26Cz-Phe30Cz 222 70 222 86 parsed_2e8d 1
98
;
Phe30Ce-Ser33Cb
!Hydrogen Bond
;
223 72 226 16 parsed_2e8d 1
99 Phe22HN-Asn21CO 228 69 228 85 parsed_2e8d 1
100 Asn24HN-Leu23CO 229 69 229 85 parsed_2e8d 1
101 Tyr26HN-Cys25CO 230 69 230 85 parsed_2e8d 1
102 Ser28HN-Val27CO 231 69 231 85 parsed_2e8d 1
103 Phe22CO-Leu23NH 232 69 232 85 parsed_2e8d 1
104 Asn24CO-Cys25NH 233 69 233 85 parsed_2e8d 1
105 Tyr26CO-Val27NH 234 69 234 85 parsed_2e8d 1
106 Ile35HN-Asp34CO 236 69 236 85 parsed_2e8d 1
107 Val37HN-Glu36CO 237 69 237 85 parsed_2e8d 1
108 Leu39HN-Asp38CO 238 69 238 85 parsed_2e8d 1
109 Ser33CO-Asn34NH 239 69 239 85 parsed_2e8d 1
110 Ile35CO-Glu36NH 240 69 240 85 parsed_2e8d 1
111 Val37CO-Asn38NH 241 69 241 85 parsed_2e8d 1
112 Leu39CO-Leu40NH 242 69 242 85 parsed_2e8d 1
stop_
save_
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