NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
37576 |
1pu3   |
4371 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 98 |
data_1pu3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1pu3
_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_1pu3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1pu3
_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 1pu3 "Master copy" parsed_1pu3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1pu3
_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 1pu3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1pu3 1
1 1pu3.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 150 parsed_1pu3 1
1 1pu3.mr . . XPLOR/CNS 3 distance NOE ambi 2526 parsed_1pu3 1
1 1pu3.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 98 parsed_1pu3 1
1 1pu3.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1pu3 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1pu3
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_1pu3 1
2 1 . . . parsed_1pu3 1
3 1 . . . parsed_1pu3 1
4 1 . . . parsed_1pu3 1
5 1 . . . parsed_1pu3 1
6 1 . . . parsed_1pu3 1
7 1 . . . parsed_1pu3 1
8 1 . . . parsed_1pu3 1
9 1 . . . parsed_1pu3 1
10 1 . . . parsed_1pu3 1
11 1 . . . parsed_1pu3 1
12 1 . . . parsed_1pu3 1
13 1 . . . parsed_1pu3 1
14 1 . . . parsed_1pu3 1
15 1 . . . parsed_1pu3 1
16 1 . . . parsed_1pu3 1
17 1 . . . parsed_1pu3 1
18 1 . . . parsed_1pu3 1
19 1 . . . parsed_1pu3 1
20 1 . . . parsed_1pu3 1
21 1 . . . parsed_1pu3 1
22 1 . . . parsed_1pu3 1
23 1 . . . parsed_1pu3 1
24 1 . . . parsed_1pu3 1
25 1 . . . parsed_1pu3 1
26 1 . . . parsed_1pu3 1
27 1 . . . parsed_1pu3 1
28 1 . . . parsed_1pu3 1
29 1 . . . parsed_1pu3 1
30 1 . . . parsed_1pu3 1
31 1 . . . parsed_1pu3 1
32 1 . . . parsed_1pu3 1
33 1 . . . parsed_1pu3 1
34 1 . . . parsed_1pu3 1
35 1 . . . parsed_1pu3 1
36 1 . . . parsed_1pu3 1
37 1 . . . parsed_1pu3 1
38 1 . . . parsed_1pu3 1
39 1 . . . parsed_1pu3 1
40 1 . . . parsed_1pu3 1
41 1 . . . parsed_1pu3 1
42 1 . . . parsed_1pu3 1
43 1 . . . parsed_1pu3 1
44 1 . . . parsed_1pu3 1
45 1 . . . parsed_1pu3 1
46 1 . . . parsed_1pu3 1
47 1 . . . parsed_1pu3 1
48 1 . . . parsed_1pu3 1
49 1 . . . parsed_1pu3 1
50 1 . . . parsed_1pu3 1
51 1 . . . parsed_1pu3 1
52 1 . . . parsed_1pu3 1
53 1 . . . parsed_1pu3 1
54 1 . . . parsed_1pu3 1
55 1 . . . parsed_1pu3 1
56 1 . . . parsed_1pu3 1
57 1 . . . parsed_1pu3 1
58 1 . . . parsed_1pu3 1
59 1 . . . parsed_1pu3 1
60 1 . . . parsed_1pu3 1
61 1 . . . parsed_1pu3 1
62 1 . . . parsed_1pu3 1
63 1 . . . parsed_1pu3 1
64 1 . . . parsed_1pu3 1
65 1 . . . parsed_1pu3 1
66 1 . . . parsed_1pu3 1
67 1 . . . parsed_1pu3 1
68 1 . . . parsed_1pu3 1
69 1 . . . parsed_1pu3 1
70 1 . . . parsed_1pu3 1
71 1 . . . parsed_1pu3 1
72 1 . . . parsed_1pu3 1
73 1 . . . parsed_1pu3 1
74 1 . . . parsed_1pu3 1
75 1 . . . parsed_1pu3 1
76 1 . . . parsed_1pu3 1
77 1 . . . parsed_1pu3 1
78 1 . . . parsed_1pu3 1
79 1 . . . parsed_1pu3 1
80 1 . . . parsed_1pu3 1
81 1 . . . parsed_1pu3 1
82 1 . . . parsed_1pu3 1
83 1 . . . parsed_1pu3 1
84 1 . . . parsed_1pu3 1
85 1 . . . parsed_1pu3 1
86 1 . . . parsed_1pu3 1
87 1 . . . parsed_1pu3 1
88 1 . . . parsed_1pu3 1
89 1 . . . parsed_1pu3 1
90 1 . . . parsed_1pu3 1
91 1 . . . parsed_1pu3 1
92 1 . . . parsed_1pu3 1
93 1 . . . parsed_1pu3 1
94 1 . . . parsed_1pu3 1
95 1 . . . parsed_1pu3 1
96 1 . . . parsed_1pu3 1
97 1 . . . parsed_1pu3 1
98 1 . . . parsed_1pu3 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 . O parsed_1pu3 1
1 1 1 . . . . . . . . . 3 . OD1 parsed_1pu3 1
1 1 2 . . . . . . . . . 6 . HN parsed_1pu3 1
2 1 1 . . . . . . . . . 3 . O parsed_1pu3 1
2 1 1 . . . . . . . . . 3 . OD1 parsed_1pu3 1
2 1 2 . . . . . . . . . 6 . N parsed_1pu3 1
3 1 1 . . . . . . . . . 7 . HN parsed_1pu3 1
3 1 2 . . . . . . . . . 3 . O parsed_1pu3 1
4 1 1 . . . . . . . . . 7 . N parsed_1pu3 1
4 1 2 . . . . . . . . . 3 . O parsed_1pu3 1
5 1 1 . . . . . . . . . 8 . HN parsed_1pu3 1
5 1 2 . . . . . . . . . 4 . O parsed_1pu3 1
6 1 1 . . . . . . . . . 8 . N parsed_1pu3 1
6 1 2 . . . . . . . . . 4 . O parsed_1pu3 1
7 1 1 . . . . . . . . . 9 . HN parsed_1pu3 1
7 1 2 . . . . . . . . . 5 . O parsed_1pu3 1
8 1 1 . . . . . . . . . 9 . N parsed_1pu3 1
8 1 2 . . . . . . . . . 5 . O parsed_1pu3 1
9 1 1 . . . . . . . . . 10 . HN parsed_1pu3 1
9 1 2 . . . . . . . . . 6 . O parsed_1pu3 1
10 1 1 . . . . . . . . . 10 . N parsed_1pu3 1
10 1 2 . . . . . . . . . 6 . O parsed_1pu3 1
11 1 1 . . . . . . . . . 11 . HN parsed_1pu3 1
11 1 2 . . . . . . . . . 7 . O parsed_1pu3 1
12 1 1 . . . . . . . . . 11 . N parsed_1pu3 1
12 1 2 . . . . . . . . . 7 . O parsed_1pu3 1
13 1 1 . . . . . . . . . 12 . HN parsed_1pu3 1
13 1 2 . . . . . . . . . 8 . O parsed_1pu3 1
14 1 1 . . . . . . . . . 12 . N parsed_1pu3 1
14 1 2 . . . . . . . . . 8 . O parsed_1pu3 1
15 1 1 . . . . . . . . . 13 . HN parsed_1pu3 1
15 1 2 . . . . . . . . . 38 . O parsed_1pu3 1
16 1 1 . . . . . . . . . 13 . N parsed_1pu3 1
16 1 2 . . . . . . . . . 38 . O parsed_1pu3 1
17 1 1 . . . . . . . . . 23 . HN parsed_1pu3 1
17 1 2 . . . . . . . . . 19 . O parsed_1pu3 1
18 1 1 . . . . . . . . . 23 . N parsed_1pu3 1
18 1 2 . . . . . . . . . 19 . O parsed_1pu3 1
19 1 1 . . . . . . . . . 24 . HN parsed_1pu3 1
19 1 2 . . . . . . . . . 20 . O parsed_1pu3 1
20 1 1 . . . . . . . . . 24 . N parsed_1pu3 1
20 1 2 . . . . . . . . . 20 . O parsed_1pu3 1
21 1 1 . . . . . . . . . 25 . HN parsed_1pu3 1
21 1 2 . . . . . . . . . 21 . O parsed_1pu3 1
21 1 2 . . . . . . . . . 22 . O parsed_1pu3 1
22 1 1 . . . . . . . . . 25 . N parsed_1pu3 1
22 1 2 . . . . . . . . . 21 . O parsed_1pu3 1
22 1 2 . . . . . . . . . 22 . O parsed_1pu3 1
23 1 1 . . . . . . . . . 35 . HN parsed_1pu3 1
23 1 2 . . . . . . . . . 69 . O parsed_1pu3 1
24 1 1 . . . . . . . . . 35 . N parsed_1pu3 1
24 1 2 . . . . . . . . . 69 . O parsed_1pu3 1
25 1 1 . . . . . . . . . 37 . HN parsed_1pu3 1
25 1 2 . . . . . . . . . 67 . O parsed_1pu3 1
26 1 1 . . . . . . . . . 37 . N parsed_1pu3 1
26 1 2 . . . . . . . . . 67 . O parsed_1pu3 1
27 1 1 . . . . . . . . . 38 . HN parsed_1pu3 1
27 1 2 . . . . . . . . . 11 . O parsed_1pu3 1
28 1 1 . . . . . . . . . 38 . N parsed_1pu3 1
28 1 2 . . . . . . . . . 11 . O parsed_1pu3 1
29 1 1 . . . . . . . . . 39 . HN parsed_1pu3 1
29 1 2 . . . . . . . . . 65 . O parsed_1pu3 1
30 1 1 . . . . . . . . . 39 . N parsed_1pu3 1
30 1 2 . . . . . . . . . 65 . O parsed_1pu3 1
31 1 1 . . . . . . . . . 40 . HN parsed_1pu3 1
31 1 2 . . . . . . . . . 13 . O parsed_1pu3 1
32 1 1 . . . . . . . . . 40 . N parsed_1pu3 1
32 1 2 . . . . . . . . . 13 . O parsed_1pu3 1
33 1 1 . . . . . . . . . 45 . HN parsed_1pu3 1
33 1 2 . . . . . . . . . 41 . O parsed_1pu3 1
33 1 2 . . . . . . . . . 42 . O parsed_1pu3 1
34 1 1 . . . . . . . . . 45 . N parsed_1pu3 1
34 1 2 . . . . . . . . . 41 . O parsed_1pu3 1
34 1 2 . . . . . . . . . 42 . O parsed_1pu3 1
35 1 1 . . . . . . . . . 46 . HN parsed_1pu3 1
35 1 2 . . . . . . . . . 42 . O parsed_1pu3 1
35 1 2 . . . . . . . . . 43 . O parsed_1pu3 1
36 1 1 . . . . . . . . . 46 . N parsed_1pu3 1
36 1 2 . . . . . . . . . 42 . O parsed_1pu3 1
36 1 2 . . . . . . . . . 43 . O parsed_1pu3 1
37 1 1 . . . . . . . . . 47 . HN parsed_1pu3 1
37 1 2 . . . . . . . . . 43 . O parsed_1pu3 1
37 1 2 . . . . . . . . . 44 . O parsed_1pu3 1
38 1 1 . . . . . . . . . 47 . N parsed_1pu3 1
38 1 2 . . . . . . . . . 43 . O parsed_1pu3 1
38 1 2 . . . . . . . . . 44 . O parsed_1pu3 1
39 1 1 . . . . . . . . . 48 . HN parsed_1pu3 1
39 1 2 . . . . . . . . . 45 . O parsed_1pu3 1
40 1 1 . . . . . . . . . 48 . N parsed_1pu3 1
40 1 2 . . . . . . . . . 45 . O parsed_1pu3 1
41 1 1 . . . . . . . . . 49 . HN parsed_1pu3 1
41 1 2 . . . . . . . . . 46 . O parsed_1pu3 1
42 1 1 . . . . . . . . . 49 . N parsed_1pu3 1
42 1 2 . . . . . . . . . 46 . O parsed_1pu3 1
43 1 1 . . . . . . . . . 50 . HN parsed_1pu3 1
43 1 2 . . . . . . . . . 47 . O parsed_1pu3 1
44 1 1 . . . . . . . . . 50 . N parsed_1pu3 1
44 1 2 . . . . . . . . . 47 . O parsed_1pu3 1
45 1 1 . . . . . . . . . 52 . HN parsed_1pu3 1
45 1 2 . . . . . . . . . 49 . O parsed_1pu3 1
46 1 1 . . . . . . . . . 52 . N parsed_1pu3 1
46 1 2 . . . . . . . . . 49 . O parsed_1pu3 1
47 1 1 . . . . . . . . . 56 . HN parsed_1pu3 1
47 1 2 . . . . . . . . . 91 . O parsed_1pu3 1
48 1 1 . . . . . . . . . 56 . N parsed_1pu3 1
48 1 2 . . . . . . . . . 91 . O parsed_1pu3 1
49 1 1 . . . . . . . . . 58 . HN parsed_1pu3 1
49 1 2 . . . . . . . . . 89 . O parsed_1pu3 1
50 1 1 . . . . . . . . . 58 . N parsed_1pu3 1
50 1 2 . . . . . . . . . 89 . O parsed_1pu3 1
51 1 1 . . . . . . . . . 60 . HN parsed_1pu3 1
51 1 2 . . . . . . . . . 87 . O parsed_1pu3 1
52 1 1 . . . . . . . . . 60 . N parsed_1pu3 1
52 1 2 . . . . . . . . . 87 . O parsed_1pu3 1
53 1 1 . . . . . . . . . 64 . HN parsed_1pu3 1
53 1 2 . . . . . . . . . 85 . O parsed_1pu3 1
54 1 1 . . . . . . . . . 64 . N parsed_1pu3 1
54 1 2 . . . . . . . . . 85 . O parsed_1pu3 1
55 1 1 . . . . . . . . . 65 . HN parsed_1pu3 1
55 1 2 . . . . . . . . . 39 . O parsed_1pu3 1
56 1 1 . . . . . . . . . 65 . N parsed_1pu3 1
56 1 2 . . . . . . . . . 39 . O parsed_1pu3 1
57 1 1 . . . . . . . . . 66 . HN parsed_1pu3 1
57 1 2 . . . . . . . . . 83 . O parsed_1pu3 1
58 1 1 . . . . . . . . . 66 . N parsed_1pu3 1
58 1 2 . . . . . . . . . 83 . O parsed_1pu3 1
59 1 1 . . . . . . . . . 67 . HN parsed_1pu3 1
59 1 2 . . . . . . . . . 37 . O parsed_1pu3 1
60 1 1 . . . . . . . . . 67 . N parsed_1pu3 1
60 1 2 . . . . . . . . . 37 . O parsed_1pu3 1
61 1 1 . . . . . . . . . 68 . HN parsed_1pu3 1
61 1 2 . . . . . . . . . 81 . O parsed_1pu3 1
62 1 1 . . . . . . . . . 68 . N parsed_1pu3 1
62 1 2 . . . . . . . . . 81 . O parsed_1pu3 1
63 1 1 . . . . . . . . . 69 . HN parsed_1pu3 1
63 1 2 . . . . . . . . . 35 . O parsed_1pu3 1
64 1 1 . . . . . . . . . 69 . N parsed_1pu3 1
64 1 2 . . . . . . . . . 35 . O parsed_1pu3 1
65 1 1 . . . . . . . . . 70 . HN parsed_1pu3 1
65 1 2 . . . . . . . . . 79 . O parsed_1pu3 1
66 1 1 . . . . . . . . . 70 . N parsed_1pu3 1
66 1 2 . . . . . . . . . 79 . O parsed_1pu3 1
67 1 1 . . . . . . . . . 71 . HN parsed_1pu3 1
67 1 2 . . . . . . . . . 33 . O parsed_1pu3 1
68 1 1 . . . . . . . . . 71 . N parsed_1pu3 1
68 1 2 . . . . . . . . . 33 . O parsed_1pu3 1
69 1 1 . . . . . . . . . 77 . HN parsed_1pu3 1
69 1 2 . . . . . . . . . 74 . O parsed_1pu3 1
70 1 1 . . . . . . . . . 77 . N parsed_1pu3 1
70 1 2 . . . . . . . . . 74 . O parsed_1pu3 1
71 1 1 . . . . . . . . . 79 . HN parsed_1pu3 1
71 1 2 . . . . . . . . . 70 . O parsed_1pu3 1
72 1 1 . . . . . . . . . 79 . N parsed_1pu3 1
72 1 2 . . . . . . . . . 70 . O parsed_1pu3 1
73 1 1 . . . . . . . . . 81 . HN parsed_1pu3 1
73 1 2 . . . . . . . . . 68 . O parsed_1pu3 1
74 1 1 . . . . . . . . . 81 . N parsed_1pu3 1
74 1 2 . . . . . . . . . 68 . O parsed_1pu3 1
75 1 1 . . . . . . . . . 83 . HN parsed_1pu3 1
75 1 2 . . . . . . . . . 66 . O parsed_1pu3 1
76 1 1 . . . . . . . . . 83 . N parsed_1pu3 1
76 1 2 . . . . . . . . . 66 . O parsed_1pu3 1
77 1 1 . . . . . . . . . 85 . HN parsed_1pu3 1
77 1 2 . . . . . . . . . 64 . O parsed_1pu3 1
78 1 1 . . . . . . . . . 85 . N parsed_1pu3 1
78 1 2 . . . . . . . . . 64 . O parsed_1pu3 1
79 1 1 . . . . . . . . . 87 . HN parsed_1pu3 1
79 1 2 . . . . . . . . . 60 . OG1 parsed_1pu3 1
80 1 1 . . . . . . . . . 87 . N parsed_1pu3 1
80 1 2 . . . . . . . . . 60 . OG1 parsed_1pu3 1
81 1 1 . . . . . . . . . 88 . HN parsed_1pu3 1
81 1 2 . . . . . . . . . 101 . O parsed_1pu3 1
82 1 1 . . . . . . . . . 88 . N parsed_1pu3 1
82 1 2 . . . . . . . . . 101 . O parsed_1pu3 1
83 1 1 . . . . . . . . . 89 . HN parsed_1pu3 1
83 1 2 . . . . . . . . . 58 . O parsed_1pu3 1
84 1 1 . . . . . . . . . 89 . N parsed_1pu3 1
84 1 2 . . . . . . . . . 58 . O parsed_1pu3 1
85 1 1 . . . . . . . . . 90 . HN parsed_1pu3 1
85 1 2 . . . . . . . . . 98 . O parsed_1pu3 1
86 1 1 . . . . . . . . . 90 . N parsed_1pu3 1
86 1 2 . . . . . . . . . 98 . O parsed_1pu3 1
87 1 1 . . . . . . . . . 91 . HN parsed_1pu3 1
87 1 2 . . . . . . . . . 56 . O parsed_1pu3 1
88 1 1 . . . . . . . . . 91 . N parsed_1pu3 1
88 1 2 . . . . . . . . . 56 . O parsed_1pu3 1
89 1 1 . . . . . . . . . 92 . HN parsed_1pu3 1
89 1 2 . . . . . . . . . 95 . O parsed_1pu3 1
90 1 1 . . . . . . . . . 92 . N parsed_1pu3 1
90 1 2 . . . . . . . . . 95 . O parsed_1pu3 1
91 1 1 . . . . . . . . . 94 . HN parsed_1pu3 1
91 1 2 . . . . . . . . . 52 . O parsed_1pu3 1
91 1 2 . . . . . . . . . 53 . O parsed_1pu3 1
92 1 1 . . . . . . . . . 94 . N parsed_1pu3 1
92 1 2 . . . . . . . . . 52 . O parsed_1pu3 1
92 1 2 . . . . . . . . . 53 . O parsed_1pu3 1
93 1 1 . . . . . . . . . 95 . HN parsed_1pu3 1
93 1 2 . . . . . . . . . 92 . O parsed_1pu3 1
94 1 1 . . . . . . . . . 95 . N parsed_1pu3 1
94 1 2 . . . . . . . . . 92 . O parsed_1pu3 1
95 1 1 . . . . . . . . . 97 . HN parsed_1pu3 1
95 1 2 . . . . . . . . . 90 . O parsed_1pu3 1
96 1 1 . . . . . . . . . 97 . N parsed_1pu3 1
96 1 2 . . . . . . . . . 90 . O parsed_1pu3 1
97 1 1 . . . . . . . . . 100 . HN parsed_1pu3 1
97 1 1 . . . . . . . . . 101 . HN parsed_1pu3 1
97 1 2 . . . . . . . . . 88 . O parsed_1pu3 1
98 1 1 . . . . . . . . . 100 . N parsed_1pu3 1
98 1 1 . . . . . . . . . 101 . N parsed_1pu3 1
98 1 2 . . . . . . . . . 88 . O parsed_1pu3 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 1.7 2.6 parsed_1pu3 1
2 1 . . . . . 3.0 2.3 3.6 parsed_1pu3 1
3 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
4 1 . . . . . 3.0 2.3 3.6 parsed_1pu3 1
5 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
6 1 . . . . . 3.0 2.3 3.6 parsed_1pu3 1
7 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
8 1 . . . . . 3.0 2.3 3.6 parsed_1pu3 1
9 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
10 1 . . . . . 3.0 2.3 3.6 parsed_1pu3 1
11 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
12 1 . . . . . 3.0 2.3 3.6 parsed_1pu3 1
13 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
14 1 . . . . . 3.0 2.3 3.6 parsed_1pu3 1
15 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
16 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
17 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
18 1 . . . . . 3.0 2.3 3.6 parsed_1pu3 1
19 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
20 1 . . . . . 3.0 2.3 3.6 parsed_1pu3 1
21 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
22 1 . . . . . 3.0 2.3 3.6 parsed_1pu3 1
23 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
24 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
25 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
26 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
27 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
28 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
29 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
30 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
31 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
32 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
33 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
34 1 . . . . . 3.0 2.3 3.6 parsed_1pu3 1
35 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
36 1 . . . . . 3.0 2.3 3.6 parsed_1pu3 1
37 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
38 1 . . . . . 3.0 2.3 3.6 parsed_1pu3 1
39 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
40 1 . . . . . 3.0 2.3 3.6 parsed_1pu3 1
41 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
42 1 . . . . . 3.0 2.3 3.6 parsed_1pu3 1
43 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
44 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
45 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
46 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
47 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
48 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
49 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
50 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
51 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
52 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
53 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
54 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
55 1 . . . . . 2.0 1.7 3.6 parsed_1pu3 1
56 1 . . . . . 3.0 2.7 4.6 parsed_1pu3 1
57 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
58 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
59 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
60 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
61 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
62 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
63 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
64 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
65 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
66 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
67 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
68 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
69 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
70 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
71 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
72 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
73 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
74 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
75 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
76 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
77 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
78 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
79 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
80 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
81 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
82 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
83 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
84 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
85 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
86 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
87 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
88 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
89 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
90 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
91 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
92 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
93 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
94 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
95 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
96 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 1
97 1 . . . . . 2.0 1.7 2.6 parsed_1pu3 1
98 1 . . . . . 3.0 2.7 3.6 parsed_1pu3 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
;
Modified according to temp. coeff. (1st num.) and D2O exchange time (2nd num)
T6 HN: -2.91 9h40m
;
2 1 5 22 parsed_1pu3 1
2 "F7 HN: -3.47 18hrs" 9 1 9 22 parsed_1pu3 1
3 "Q8 HN: 2.08 18hrs" 14 1 14 22 parsed_1pu3 1
4 "K9 HN: 1.82 18hrs" 18 1 18 22 parsed_1pu3 1
5 "K10+F87 HN: 18hrs" 22 1 22 23 parsed_1pu3 1
6 "H11 HN: 0.42 18hrs" 26 1 26 22 parsed_1pu3 1
7 "I12 HN: -0.25 18hrs" 30 1 30 22 parsed_1pu3 1
8 "T13 HN: 1.51 18hrs" 36 1 36 22 parsed_1pu3 1
9
;
N22 HN: 2.78 15min
I23 HN: -0.2 2hrs
;
41 1 43 22 parsed_1pu3 1
10 "L24 HN: -1.15 18hrs" 47 1 47 22 parsed_1pu3 1
11 "S25 HN: 2.47 9h40m" 51 1 51 22 parsed_1pu3 1
12
;
T26 HN: 0.38 1hr
assign (resid 26 and name HN) (resid 23 and name O) 2.0 0.3 0.6
assign (resid 26 and name N) (resid 23 and name O) 3.0 0.7 0.6
L28+H98: 18hrs
K32 HN: 2hrs
K34 HN: 2hrs
N35 HN: 1.24 18hrs
;
55 1 65 22 parsed_1pu3 1
13 "F37 HN: 0.78 18hrs" 69 1 69 22 parsed_1pu3 1
14 "I38 HN: 0.39 18hrs" 73 1 73 22 parsed_1pu3 1
15 "Y39 HN: -2.51 18hrs" 77 1 77 22 parsed_1pu3 1
16 "S40 HN: 0.91 9h40m" 81 1 81 22 parsed_1pu3 1
17 "V45 HN: 2.3 18hrs" 85 1 85 22 parsed_1pu3 1
18 "K46 HN: -2.77 18hrs" 89 1 89 22 parsed_1pu3 1
19 "A47 HN: 1.18 18hrs" 93 1 93 22 parsed_1pu3 1
20 "I48 HN: 0.4 18hrs" 98 1 98 22 parsed_1pu3 1
21 "C49 HN: -1.09 18hrs" 102 1 102 22 parsed_1pu3 1
22 "K50 HN: 0.48 18hrs" 106 1 106 22 parsed_1pu3 1
23 "I52 HN: 0 18hrs" 110 1 110 22 parsed_1pu3 1
24 "K56 HN: -1.51 29mim" 117 1 117 24 parsed_1pu3 1
25 "V58 HN: -1.98 18hrs" 121 1 121 22 parsed_1pu3 1
26
;
L59 HN: -6.05 9h40m
???
T60 HN: -1.17 18hrs
;
125 1 128 22 parsed_1pu3 1
27 "F64 HN: -0.81 18hrs" 133 1 133 22 parsed_1pu3 1
28 "Y65 HN: -7.36 3h52m" 138 1 138 22 parsed_1pu3 1
29 "L66 HN: -4.84 18hrs" 143 1 143 22 parsed_1pu3 1
30 "S67 HN: -0.72 18hrs" 147 1 147 22 parsed_1pu3 1
31 "D68 HN: 0 18hrs" 151 1 151 22 parsed_1pu3 1
32 "C69 HN: 0.18 18hrs" 155 1 155 22 parsed_1pu3 1
33 "N70 HN: 2.94 18hrs" 159 1 159 22 parsed_1pu3 1
34 "V71 HN: -2.89 18hrs" 163 1 163 22 parsed_1pu3 1
35 "K77 HN: 0.21 18hrs" 167 1 167 22 parsed_1pu3 1
36
;
Y78 HN: 3h52m
K79 HN: 2.52 18hrs
;
171 1 173 22 parsed_1pu3 1
37 "K81 HN: -2.53 18hrs" 177 1 177 22 parsed_1pu3 1
38 "S83 HN: 0.34 18hrs" 181 1 181 22 parsed_1pu3 1
39 "N85 HN: -0.62 18hrs" 185 1 185 22 parsed_1pu3 1
40
;
K86 HN: 1hr
F87+K10 HN: 18hrs
;
189 1 191 22 parsed_1pu3 1
41 "C88 HN: -1.51 18hrs" 195 1 195 22 parsed_1pu3 1
42 "V89 HN: 1.7 18hrs" 199 1 199 22 parsed_1pu3 1
43 "T90 HN: -0.19 18hrs" 203 1 203 22 parsed_1pu3 1
44 "C91 HN: -0.73 18hrs" 207 1 207 22 parsed_1pu3 1
45 "E92 HN: 1.43 18hrs" 211 1 211 22 parsed_1pu3 1
46 "Q94 HN: -0.85 18hrs" 215 1 215 22 parsed_1pu3 1
47 "A95 HN: -0.85 18hrs" 219 1 219 22 parsed_1pu3 1
48 "V97 HN: -1.06 18hrs" 223 1 223 22 parsed_1pu3 1
49
;
V100 HN: 0.33 18hrs
assign (resid 100 and name HN) (resid 88 and name O) 2.0 0.3 0.6
assign (resid 100 and name N) (resid 88 and name O) 3.0 0.3 0.6
G101 HN: 2.22 18hrs
====>
;
227 1 231 7 parsed_1pu3 1
50
;
G103 HN: 2hrs
S104 HN: 2hrs
;
235 1 237 23 parsed_1pu3 1
stop_
save_
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