NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
476174 |
1kr8   |
5282 | cing | 2-parsed | STAR | distance | NOE | simple | 89 |
data_1kr8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1kr8
_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_1kr8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1kr8
_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 1kr8 "Master copy" parsed_1kr8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1kr8
_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 1kr8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1kr8 1
1 1kr8.mr . . AMBER 2 distance NOE simple 10 parsed_1kr8 1
1 1kr8.mr . . AMBER 3 distance NOE simple 89 parsed_1kr8 1
1 1kr8.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1kr8 1
1 1kr8.mr . . AMBER 5 distance NOE simple 0 parsed_1kr8 1
1 1kr8.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1kr8 1
1 1kr8.mr . . AMBER 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1kr8 1
1 1kr8.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1kr8 1
1 1kr8.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1kr8 1
stop_
save_
save_AMBER_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1kr8
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_1kr8 1
2 1 . . . parsed_1kr8 1
3 1 . . . parsed_1kr8 1
4 1 . . . parsed_1kr8 1
5 1 . . . parsed_1kr8 1
6 1 . . . parsed_1kr8 1
7 1 . . . parsed_1kr8 1
8 1 . . . parsed_1kr8 1
9 1 . . . parsed_1kr8 1
10 1 . . . parsed_1kr8 1
11 1 . . . parsed_1kr8 1
12 1 . . . parsed_1kr8 1
13 1 . . . parsed_1kr8 1
14 1 . . . parsed_1kr8 1
15 1 . . . parsed_1kr8 1
16 1 . . . parsed_1kr8 1
17 1 . . . parsed_1kr8 1
18 1 . . . parsed_1kr8 1
19 1 . . . parsed_1kr8 1
20 1 . . . parsed_1kr8 1
21 1 . . . parsed_1kr8 1
22 1 . . . parsed_1kr8 1
23 1 . . . parsed_1kr8 1
24 1 . . . parsed_1kr8 1
25 1 . . . parsed_1kr8 1
26 1 . . . parsed_1kr8 1
27 1 . . . parsed_1kr8 1
28 1 . . . parsed_1kr8 1
29 1 . . . parsed_1kr8 1
30 1 . . . parsed_1kr8 1
31 1 . . . parsed_1kr8 1
32 1 . . . parsed_1kr8 1
33 1 . . . parsed_1kr8 1
34 1 . . . parsed_1kr8 1
35 1 . . . parsed_1kr8 1
36 1 . . . parsed_1kr8 1
37 1 . . . parsed_1kr8 1
38 1 . . . parsed_1kr8 1
39 1 . . . parsed_1kr8 1
40 1 . . . parsed_1kr8 1
41 1 . . . parsed_1kr8 1
42 1 . . . parsed_1kr8 1
43 1 . . . parsed_1kr8 1
44 1 . . . parsed_1kr8 1
45 1 . . . parsed_1kr8 1
46 1 . . . parsed_1kr8 1
47 1 . . . parsed_1kr8 1
48 1 . . . parsed_1kr8 1
49 1 . . . parsed_1kr8 1
50 1 . . . parsed_1kr8 1
51 1 . . . parsed_1kr8 1
52 1 . . . parsed_1kr8 1
53 1 . . . parsed_1kr8 1
54 1 . . . parsed_1kr8 1
55 1 . . . parsed_1kr8 1
56 1 . . . parsed_1kr8 1
57 1 . . . parsed_1kr8 1
58 1 . . . parsed_1kr8 1
59 1 . . . parsed_1kr8 1
60 1 . . . parsed_1kr8 1
61 1 . . . parsed_1kr8 1
62 1 . . . parsed_1kr8 1
63 1 . . . parsed_1kr8 1
64 1 . . . parsed_1kr8 1
65 1 . . . parsed_1kr8 1
66 1 . . . parsed_1kr8 1
67 1 . . . parsed_1kr8 1
68 1 . . . parsed_1kr8 1
69 1 . . . parsed_1kr8 1
70 1 . . . parsed_1kr8 1
71 1 . . . parsed_1kr8 1
72 1 . . . parsed_1kr8 1
73 1 . . . parsed_1kr8 1
74 1 . . . parsed_1kr8 1
75 1 . . . parsed_1kr8 1
76 1 . . . parsed_1kr8 1
77 1 . . . parsed_1kr8 1
78 1 . . . parsed_1kr8 1
79 1 . . . parsed_1kr8 1
80 1 . . . parsed_1kr8 1
81 1 . . . parsed_1kr8 1
82 1 . . . parsed_1kr8 1
83 1 . . . parsed_1kr8 1
84 1 . . . parsed_1kr8 1
85 1 . . . parsed_1kr8 1
86 1 . . . parsed_1kr8 1
87 1 . . . parsed_1kr8 1
88 1 . . . parsed_1kr8 1
89 1 . . . parsed_1kr8 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 . . . . . . . . . 1 . H1'' parsed_1kr8 1
1 1 2 . . . . . . . . . 1 . H2''1 parsed_1kr8 1
2 1 1 . . . . . . . . . 1 . H1'' parsed_1kr8 1
2 1 2 . . . . . . . . . 1 . H2''2 parsed_1kr8 1
3 1 1 . . . . . . . . . 1 . H1'' parsed_1kr8 1
3 1 2 . . . . . . . . . 1 . H3'' parsed_1kr8 1
4 1 1 . . . . . . . . . 1 . H1'' parsed_1kr8 1
4 1 2 . . . . . . . . . 1 . H4'' parsed_1kr8 1
5 1 1 . . . . . . . . . 1 . H1'' parsed_1kr8 1
5 1 2 . . . . . . . . . 2 . H5 parsed_1kr8 1
6 1 1 . . . . . . . . . 1 . H3'' parsed_1kr8 1
6 1 2 . . . . . . . . . 1 . H2''1 parsed_1kr8 1
7 1 1 . . . . . . . . . 1 . H3'' parsed_1kr8 1
7 1 2 . . . . . . . . . 1 . H2''2 parsed_1kr8 1
8 1 1 . . . . . . . . . 1 . H8 parsed_1kr8 1
8 1 2 . . . . . . . . . 1 . H1'' parsed_1kr8 1
9 1 1 . . . . . . . . . 1 . H8 parsed_1kr8 1
9 1 2 . . . . . . . . . 1 . H2''1 parsed_1kr8 1
10 1 1 . . . . . . . . . 1 . H8 parsed_1kr8 1
10 1 2 . . . . . . . . . 1 . H2''2 parsed_1kr8 1
11 1 1 . . . . . . . . . 1 . H8 parsed_1kr8 1
11 1 2 . . . . . . . . . 1 . H3'' parsed_1kr8 1
12 1 1 . . . . . . . . . 1 . H8 parsed_1kr8 1
12 1 2 . . . . . . . . . 1 . H4'' parsed_1kr8 1
13 1 1 . . . . . . . . . 1 . H8 parsed_1kr8 1
13 1 2 . . . . . . . . . 2 . H5 parsed_1kr8 1
14 1 1 . . . . . . . . . 1 . H8 parsed_1kr8 1
14 1 2 . . . . . . . . . 2 . H6 parsed_1kr8 1
15 1 1 . . . . . . . . . 2 . H1'' parsed_1kr8 1
15 1 2 . . . . . . . . . 2 . H2''1 parsed_1kr8 1
16 1 1 . . . . . . . . . 2 . H1'' parsed_1kr8 1
16 1 2 . . . . . . . . . 2 . H3'' parsed_1kr8 1
17 1 1 . . . . . . . . . 2 . H1'' parsed_1kr8 1
17 1 2 . . . . . . . . . 2 . H4'' parsed_1kr8 1
18 1 1 . . . . . . . . . 2 . H1'' parsed_1kr8 1
18 1 2 . . . . . . . . . 3 . H4'' parsed_1kr8 1
19 1 1 . . . . . . . . . 2 . H2''2 parsed_1kr8 1
19 1 2 . . . . . . . . . 2 . H2''1 parsed_1kr8 1
20 1 1 . . . . . . . . . 2 . H3'' parsed_1kr8 1
20 1 2 . . . . . . . . . 2 . H2''1 parsed_1kr8 1
21 1 1 . . . . . . . . . 2 . H3'' parsed_1kr8 1
21 1 2 . . . . . . . . . 2 . H2''2 parsed_1kr8 1
22 1 1 . . . . . . . . . 2 . H5 parsed_1kr8 1
22 1 2 . . . . . . . . . 1 . H2''1 parsed_1kr8 1
23 1 1 . . . . . . . . . 2 . H5 parsed_1kr8 1
23 1 2 . . . . . . . . . 1 . H2''2 parsed_1kr8 1
24 1 1 . . . . . . . . . 2 . H6 parsed_1kr8 1
24 1 2 . . . . . . . . . 1 . H1'' parsed_1kr8 1
25 1 1 . . . . . . . . . 2 . H6 parsed_1kr8 1
25 1 2 . . . . . . . . . 1 . H2''1 parsed_1kr8 1
26 1 1 . . . . . . . . . 2 . H6 parsed_1kr8 1
26 1 2 . . . . . . . . . 1 . H2''2 parsed_1kr8 1
27 1 1 . . . . . . . . . 2 . H6 parsed_1kr8 1
27 1 2 . . . . . . . . . 2 . H1'' parsed_1kr8 1
28 1 1 . . . . . . . . . 2 . H6 parsed_1kr8 1
28 1 2 . . . . . . . . . 2 . H2''1 parsed_1kr8 1
29 1 1 . . . . . . . . . 2 . H6 parsed_1kr8 1
29 1 2 . . . . . . . . . 2 . H2''2 parsed_1kr8 1
30 1 1 . . . . . . . . . 2 . H6 parsed_1kr8 1
30 1 2 . . . . . . . . . 2 . H3'' parsed_1kr8 1
31 1 1 . . . . . . . . . 2 . H6 parsed_1kr8 1
31 1 2 . . . . . . . . . 2 . H4'' parsed_1kr8 1
32 1 1 . . . . . . . . . 2 . H6 parsed_1kr8 1
32 1 2 . . . . . . . . . 2 . H5 parsed_1kr8 1
33 1 1 . . . . . . . . . 3 . H1'' parsed_1kr8 1
33 1 2 . . . . . . . . . 3 . H2''1 parsed_1kr8 1
34 1 1 . . . . . . . . . 3 . H1'' parsed_1kr8 1
34 1 2 . . . . . . . . . 3 . H2''2 parsed_1kr8 1
35 1 1 . . . . . . . . . 3 . H1'' parsed_1kr8 1
35 1 2 . . . . . . . . . 3 . H4'' parsed_1kr8 1
36 1 1 . . . . . . . . . 3 . H3'' parsed_1kr8 1
36 1 2 . . . . . . . . . 3 . H4'' parsed_1kr8 1
37 1 1 . . . . . . . . . 3 . H4'' parsed_1kr8 1
37 1 2 . . . . . . . . . 3 . H2''1 parsed_1kr8 1
38 1 1 . . . . . . . . . 3 . H4'' parsed_1kr8 1
38 1 2 . . . . . . . . . 3 . H2''2 parsed_1kr8 1
39 1 1 . . . . . . . . . 3 . H8 parsed_1kr8 1
39 1 2 . . . . . . . . . 2 . H1'' parsed_1kr8 1
40 1 1 . . . . . . . . . 3 . H8 parsed_1kr8 1
40 1 2 . . . . . . . . . 2 . H2''1 parsed_1kr8 1
41 1 1 . . . . . . . . . 3 . H8 parsed_1kr8 1
41 1 2 . . . . . . . . . 2 . H2''2 parsed_1kr8 1
42 1 1 . . . . . . . . . 3 . H8 parsed_1kr8 1
42 1 2 . . . . . . . . . 2 . H3'' parsed_1kr8 1
43 1 1 . . . . . . . . . 3 . H8 parsed_1kr8 1
43 1 2 . . . . . . . . . 2 . H6 parsed_1kr8 1
44 1 1 . . . . . . . . . 3 . H8 parsed_1kr8 1
44 1 2 . . . . . . . . . 3 . H1'' parsed_1kr8 1
45 1 1 . . . . . . . . . 3 . H8 parsed_1kr8 1
45 1 2 . . . . . . . . . 3 . H2''1 parsed_1kr8 1
46 1 1 . . . . . . . . . 3 . H8 parsed_1kr8 1
46 1 2 . . . . . . . . . 3 . H2''2 parsed_1kr8 1
47 1 1 . . . . . . . . . 3 . H8 parsed_1kr8 1
47 1 2 . . . . . . . . . 3 . H3'' parsed_1kr8 1
48 1 1 . . . . . . . . . 3 . H8 parsed_1kr8 1
48 1 2 . . . . . . . . . 3 . H4'' parsed_1kr8 1
49 1 1 . . . . . . . . . 4 . H1'' parsed_1kr8 1
49 1 2 . . . . . . . . . 4 . H3'' parsed_1kr8 1
50 1 1 . . . . . . . . . 4 . H1'' parsed_1kr8 1
50 1 2 . . . . . . . . . 4 . H4'' parsed_1kr8 1
51 1 1 . . . . . . . . . 4 . H3'' parsed_1kr8 1
51 1 2 . . . . . . . . . 4 . H4'' parsed_1kr8 1
52 1 1 . . . . . . . . . 4 . H8 parsed_1kr8 1
52 1 2 . . . . . . . . . 3 . H1'' parsed_1kr8 1
53 1 1 . . . . . . . . . 4 . H8 parsed_1kr8 1
53 1 2 . . . . . . . . . 3 . H2''1 parsed_1kr8 1
54 1 1 . . . . . . . . . 4 . H8 parsed_1kr8 1
54 1 2 . . . . . . . . . 3 . H2''2 parsed_1kr8 1
55 1 1 . . . . . . . . . 4 . H8 parsed_1kr8 1
55 1 2 . . . . . . . . . 3 . H3'' parsed_1kr8 1
56 1 1 . . . . . . . . . 4 . H8 parsed_1kr8 1
56 1 2 . . . . . . . . . 3 . H4'' parsed_1kr8 1
57 1 1 . . . . . . . . . 4 . H8 parsed_1kr8 1
57 1 2 . . . . . . . . . 4 . H1'' parsed_1kr8 1
58 1 1 . . . . . . . . . 4 . H8 parsed_1kr8 1
58 1 2 . . . . . . . . . 4 . H2''1 parsed_1kr8 1
59 1 1 . . . . . . . . . 4 . H8 parsed_1kr8 1
59 1 2 . . . . . . . . . 4 . H2''2 parsed_1kr8 1
60 1 1 . . . . . . . . . 4 . H8 parsed_1kr8 1
60 1 2 . . . . . . . . . 4 . H3'' parsed_1kr8 1
61 1 1 . . . . . . . . . 4 . H8 parsed_1kr8 1
61 1 2 . . . . . . . . . 4 . H4'' parsed_1kr8 1
62 1 1 . . . . . . . . . 5 . H1'' parsed_1kr8 1
62 1 2 . . . . . . . . . 5 . H3'' parsed_1kr8 1
63 1 1 . . . . . . . . . 5 . H1'' parsed_1kr8 1
63 1 2 . . . . . . . . . 5 . H4'' parsed_1kr8 1
64 1 1 . . . . . . . . . 5 . H1'' parsed_1kr8 1
64 1 2 . . . . . . . . . 6 . H1'' parsed_1kr8 1
65 1 1 . . . . . . . . . 5 . H3'' parsed_1kr8 1
65 1 2 . . . . . . . . . 5 . H4'' parsed_1kr8 1
66 1 1 . . . . . . . . . 5 . H8 parsed_1kr8 1
66 1 2 . . . . . . . . . 4 . H1'' parsed_1kr8 1
67 1 1 . . . . . . . . . 5 . H8 parsed_1kr8 1
67 1 2 . . . . . . . . . 4 . H4'' parsed_1kr8 1
68 1 1 . . . . . . . . . 6 . H1'' parsed_1kr8 1
68 1 2 . . . . . . . . . 6 . H3'' parsed_1kr8 1
69 1 1 . . . . . . . . . 6 . H1'' parsed_1kr8 1
69 1 2 . . . . . . . . . 6 . H4'' parsed_1kr8 1
70 1 1 . . . . . . . . . 6 . H3'' parsed_1kr8 1
70 1 2 . . . . . . . . . 6 . H4'' parsed_1kr8 1
71 1 1 . . . . . . . . . 6 . H8 parsed_1kr8 1
71 1 2 . . . . . . . . . 6 . H1'' parsed_1kr8 1
72 1 1 . . . . . . . . . 6 . H8 parsed_1kr8 1
72 1 2 . . . . . . . . . 6 . H3'' parsed_1kr8 1
73 1 1 . . . . . . . . . 6 . H8 parsed_1kr8 1
73 1 2 . . . . . . . . . 6 . H4'' parsed_1kr8 1
74 1 1 . . . . . . . . . 6 . H8 parsed_1kr8 1
74 1 2 . . . . . . . . . 7 . H5 parsed_1kr8 1
75 1 1 . . . . . . . . . 6 . H8 parsed_1kr8 1
75 1 2 . . . . . . . . . 7 . H6 parsed_1kr8 1
76 1 1 . . . . . . . . . 7 . H1'' parsed_1kr8 1
76 1 2 . . . . . . . . . 6 . H1'' parsed_1kr8 1
77 1 1 . . . . . . . . . 7 . H1'' parsed_1kr8 1
77 1 2 . . . . . . . . . 7 . H2''1 parsed_1kr8 1
78 1 1 . . . . . . . . . 7 . H1'' parsed_1kr8 1
78 1 2 . . . . . . . . . 7 . H2''2 parsed_1kr8 1
79 1 1 . . . . . . . . . 7 . H1'' parsed_1kr8 1
79 1 2 . . . . . . . . . 7 . H3'' parsed_1kr8 1
80 1 1 . . . . . . . . . 7 . H1'' parsed_1kr8 1
80 1 2 . . . . . . . . . 7 . H4'' parsed_1kr8 1
81 1 1 . . . . . . . . . 7 . H3'' parsed_1kr8 1
81 1 2 . . . . . . . . . 7 . H2''1 parsed_1kr8 1
82 1 1 . . . . . . . . . 7 . H3'' parsed_1kr8 1
82 1 2 . . . . . . . . . 7 . H2''2 parsed_1kr8 1
83 1 1 . . . . . . . . . 7 . H6 parsed_1kr8 1
83 1 2 . . . . . . . . . 6 . H1'' parsed_1kr8 1
84 1 1 . . . . . . . . . 7 . H6 parsed_1kr8 1
84 1 2 . . . . . . . . . 7 . H1'' parsed_1kr8 1
85 1 1 . . . . . . . . . 7 . H6 parsed_1kr8 1
85 1 2 . . . . . . . . . 7 . H2''1 parsed_1kr8 1
86 1 1 . . . . . . . . . 7 . H6 parsed_1kr8 1
86 1 2 . . . . . . . . . 7 . H2''2 parsed_1kr8 1
87 1 1 . . . . . . . . . 7 . H6 parsed_1kr8 1
87 1 2 . . . . . . . . . 7 . H3'' parsed_1kr8 1
88 1 1 . . . . . . . . . 7 . H6 parsed_1kr8 1
88 1 2 . . . . . . . . . 7 . H4'' parsed_1kr8 1
89 1 1 . . . . . . . . . 7 . H6 parsed_1kr8 1
89 1 2 . . . . . . . . . 7 . H5 parsed_1kr8 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.161 1.806 3.661 parsed_1kr8 1
2 1 . . . . . 2.769 1.582 3.269 parsed_1kr8 1
3 1 . . . . . 4.598 2.627 5.098 parsed_1kr8 1
4 1 . . . . . 4.800 2.743 5.300 parsed_1kr8 1
5 1 . . . . . 6.499 3.713 6.999 parsed_1kr8 1
6 1 . . . . . 3.045 1.740 3.545 parsed_1kr8 1
7 1 . . . . . 3.454 1.973 3.954 parsed_1kr8 1
8 1 . . . . . 4.708 2.690 5.208 parsed_1kr8 1
9 1 . . . . . 3.100 1.771 3.600 parsed_1kr8 1
10 1 . . . . . 4.309 2.462 4.809 parsed_1kr8 1
11 1 . . . . . 5.700 3.257 6.200 parsed_1kr8 1
12 1 . . . . . 8.954 5.117 9.454 parsed_1kr8 1
13 1 . . . . . 5.233 2.990 5.733 parsed_1kr8 1
14 1 . . . . . 6.078 3.473 6.578 parsed_1kr8 1
15 1 . . . . . 3.328 1.902 3.828 parsed_1kr8 1
16 1 . . . . . 5.234 2.991 5.734 parsed_1kr8 1
17 1 . . . . . 4.180 2.389 4.680 parsed_1kr8 1
18 1 . . . . . 5.236 2.992 5.736 parsed_1kr8 1
19 1 . . . . . 2.450 1.400 2.950 parsed_1kr8 1
20 1 . . . . . 3.644 2.082 4.144 parsed_1kr8 1
21 1 . . . . . 3.504 2.002 4.004 parsed_1kr8 1
22 1 . . . . . 4.290 2.452 4.790 parsed_1kr8 1
23 1 . . . . . 4.692 2.681 5.192 parsed_1kr8 1
24 1 . . . . . 4.513 2.579 5.013 parsed_1kr8 1
25 1 . . . . . 3.805 2.175 4.305 parsed_1kr8 1
26 1 . . . . . 3.097 1.770 3.597 parsed_1kr8 1
27 1 . . . . . 4.576 2.615 5.076 parsed_1kr8 1
28 1 . . . . . 3.175 1.814 3.675 parsed_1kr8 1
29 1 . . . . . 3.664 2.094 4.164 parsed_1kr8 1
30 1 . . . . . 4.930 2.817 5.430 parsed_1kr8 1
31 1 . . . . . 6.204 3.545 6.704 parsed_1kr8 1
32 1 . . . . . 2.436 1.392 2.936 parsed_1kr8 1
33 1 . . . . . 3.605 2.060 4.105 parsed_1kr8 1
34 1 . . . . . 3.107 1.776 3.607 parsed_1kr8 1
35 1 . . . . . 4.907 2.804 5.407 parsed_1kr8 1
36 1 . . . . . 3.909 2.234 4.409 parsed_1kr8 1
37 1 . . . . . 4.617 2.638 5.117 parsed_1kr8 1
38 1 . . . . . 5.206 2.975 5.706 parsed_1kr8 1
39 1 . . . . . 6.725 3.843 7.225 parsed_1kr8 1
40 1 . . . . . 4.344 2.482 4.844 parsed_1kr8 1
41 1 . . . . . 3.756 2.146 4.256 parsed_1kr8 1
42 1 . . . . . 5.936 3.392 6.436 parsed_1kr8 1
43 1 . . . . . 5.746 3.284 6.246 parsed_1kr8 1
44 1 . . . . . 4.929 2.817 5.429 parsed_1kr8 1
45 1 . . . . . 3.308 1.890 3.808 parsed_1kr8 1
46 1 . . . . . 4.012 2.293 4.512 parsed_1kr8 1
47 1 . . . . . 5.268 3.010 5.768 parsed_1kr8 1
48 1 . . . . . 7.833 4.476 8.333 parsed_1kr8 1
49 1 . . . . . 6.114 3.494 6.614 parsed_1kr8 1
50 1 . . . . . 3.503 2.002 4.003 parsed_1kr8 1
51 1 . . . . . 3.641 2.081 4.141 parsed_1kr8 1
52 1 . . . . . 3.875 2.214 4.375 parsed_1kr8 1
53 1 . . . . . 4.781 2.732 5.281 parsed_1kr8 1
54 1 . . . . . 3.992 2.281 4.492 parsed_1kr8 1
55 1 . . . . . 6.039 3.451 6.539 parsed_1kr8 1
56 1 . . . . . 9.393 5.367 9.893 parsed_1kr8 1
57 1 . . . . . 4.458 2.547 4.958 parsed_1kr8 1
58 1 . . . . . 3.094 1.768 3.594 parsed_1kr8 1
59 1 . . . . . 3.784 2.162 4.284 parsed_1kr8 1
60 1 . . . . . 5.554 3.174 6.054 parsed_1kr8 1
61 1 . . . . . 7.173 4.099 7.673 parsed_1kr8 1
62 1 . . . . . 5.665 3.237 6.165 parsed_1kr8 1
63 1 . . . . . 3.640 2.080 4.140 parsed_1kr8 1
64 1 . . . . . 5.067 2.895 5.567 parsed_1kr8 1
65 1 . . . . . 3.514 2.008 4.014 parsed_1kr8 1
66 1 . . . . . 5.904 3.374 6.404 parsed_1kr8 1
67 1 . . . . . 6.092 3.481 6.592 parsed_1kr8 1
68 1 . . . . . 5.485 3.134 5.985 parsed_1kr8 1
69 1 . . . . . 4.405 2.517 4.905 parsed_1kr8 1
70 1 . . . . . 4.080 2.331 4.580 parsed_1kr8 1
71 1 . . . . . 4.966 2.838 5.466 parsed_1kr8 1
72 1 . . . . . 5.191 2.966 5.691 parsed_1kr8 1
73 1 . . . . . 7.447 4.255 7.947 parsed_1kr8 1
74 1 . . . . . 5.519 3.154 6.019 parsed_1kr8 1
75 1 . . . . . 6.227 3.558 6.727 parsed_1kr8 1
76 1 . . . . . 4.858 2.776 5.358 parsed_1kr8 1
77 1 . . . . . 3.150 1.800 3.650 parsed_1kr8 1
78 1 . . . . . 2.807 1.604 3.307 parsed_1kr8 1
79 1 . . . . . 3.878 2.216 4.378 parsed_1kr8 1
80 1 . . . . . 4.552 2.601 5.052 parsed_1kr8 1
81 1 . . . . . 2.666 1.523 3.166 parsed_1kr8 1
82 1 . . . . . 2.858 1.633 3.358 parsed_1kr8 1
83 1 . . . . . 3.948 2.256 4.448 parsed_1kr8 1
84 1 . . . . . 4.443 2.539 4.943 parsed_1kr8 1
85 1 . . . . . 3.711 2.120 4.211 parsed_1kr8 1
86 1 . . . . . 4.836 2.763 5.336 parsed_1kr8 1
87 1 . . . . . 4.514 2.579 5.014 parsed_1kr8 1
88 1 . . . . . 6.700 3.829 7.200 parsed_1kr8 1
89 1 . . . . . 2.455 1.403 2.955 parsed_1kr8 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
;
###############################################################################
NOE distances
converted by mardi2amber (atomnumbers (iat=...) are in fact residue numbers
but SANDER 6.0 seems to be happy with the atomnames)
distance constraint number 1
;
1 1 7 33 parsed_1kr8 1
2 "distance constraint number 2" 11 1 11 33 parsed_1kr8 1
3 "distance constraint number 3" 15 1 15 33 parsed_1kr8 1
4 "distance constraint number 4" 19 1 19 33 parsed_1kr8 1
5 "distance constraint number 5" 23 1 23 33 parsed_1kr8 1
6 "distance constraint number 6" 27 1 27 33 parsed_1kr8 1
7 "distance constraint number 7" 31 1 31 33 parsed_1kr8 1
8 "distance constraint number 8" 35 1 35 33 parsed_1kr8 1
9 "distance constraint number 9" 39 1 39 33 parsed_1kr8 1
10 "distance constraint number 10" 43 1 43 33 parsed_1kr8 1
11 "distance constraint number 11" 47 1 47 33 parsed_1kr8 1
12 "distance constraint number 12" 51 1 51 33 parsed_1kr8 1
13 "distance constraint number 13" 55 1 55 33 parsed_1kr8 1
14 "distance constraint number 14" 59 1 59 33 parsed_1kr8 1
15 "distance constraint number 15" 63 1 63 33 parsed_1kr8 1
16 "distance constraint number 16" 67 1 67 33 parsed_1kr8 1
17 "distance constraint number 17" 71 1 71 33 parsed_1kr8 1
18 "distance constraint number 18" 75 1 75 33 parsed_1kr8 1
19 "distance constraint number 19" 79 1 79 33 parsed_1kr8 1
20 "distance constraint number 20" 83 1 83 33 parsed_1kr8 1
21 "distance constraint number 21" 87 1 87 33 parsed_1kr8 1
22 "distance constraint number 22" 91 1 91 33 parsed_1kr8 1
23 "distance constraint number 23" 95 1 95 33 parsed_1kr8 1
24 "distance constraint number 24" 99 1 99 33 parsed_1kr8 1
25 "distance constraint number 25" 103 1 103 33 parsed_1kr8 1
26 "distance constraint number 26" 107 1 107 33 parsed_1kr8 1
27 "distance constraint number 27" 111 1 111 33 parsed_1kr8 1
28 "distance constraint number 28" 115 1 115 33 parsed_1kr8 1
29 "distance constraint number 29" 119 1 119 33 parsed_1kr8 1
30 "distance constraint number 30" 123 1 123 33 parsed_1kr8 1
31 "distance constraint number 31" 127 1 127 33 parsed_1kr8 1
32 "distance constraint number 32" 131 1 131 33 parsed_1kr8 1
33 "distance constraint number 33" 135 1 135 33 parsed_1kr8 1
34 "distance constraint number 34" 139 1 139 33 parsed_1kr8 1
35 "distance constraint number 35" 143 1 143 33 parsed_1kr8 1
36 "distance constraint number 36" 147 1 147 33 parsed_1kr8 1
37 "distance constraint number 37" 151 1 151 33 parsed_1kr8 1
38 "distance constraint number 38" 155 1 155 33 parsed_1kr8 1
39 "distance constraint number 39" 159 1 159 33 parsed_1kr8 1
40 "distance constraint number 40" 163 1 163 33 parsed_1kr8 1
41 "distance constraint number 41" 167 1 167 33 parsed_1kr8 1
42 "distance constraint number 42" 171 1 171 33 parsed_1kr8 1
43 "distance constraint number 43" 175 1 175 33 parsed_1kr8 1
44 "distance constraint number 44" 179 1 179 33 parsed_1kr8 1
45 "distance constraint number 45" 183 1 183 33 parsed_1kr8 1
46 "distance constraint number 46" 187 1 187 33 parsed_1kr8 1
47 "distance constraint number 47" 191 1 191 33 parsed_1kr8 1
48 "distance constraint number 48" 195 1 195 33 parsed_1kr8 1
49 "distance constraint number 49" 199 1 199 33 parsed_1kr8 1
50 "distance constraint number 50" 203 1 203 33 parsed_1kr8 1
51 "distance constraint number 51" 207 1 207 33 parsed_1kr8 1
52 "distance constraint number 52" 211 1 211 33 parsed_1kr8 1
53 "distance constraint number 53" 215 1 215 33 parsed_1kr8 1
54 "distance constraint number 54" 219 1 219 33 parsed_1kr8 1
55 "distance constraint number 55" 223 1 223 33 parsed_1kr8 1
56 "distance constraint number 56" 227 1 227 33 parsed_1kr8 1
57 "distance constraint number 57" 231 1 231 33 parsed_1kr8 1
58 "distance constraint number 58" 235 1 235 33 parsed_1kr8 1
59 "distance constraint number 59" 239 1 239 33 parsed_1kr8 1
60 "distance constraint number 60" 243 1 243 33 parsed_1kr8 1
61 "distance constraint number 61" 247 1 247 33 parsed_1kr8 1
62 "distance constraint number 62" 251 1 251 33 parsed_1kr8 1
63 "distance constraint number 63" 255 1 255 33 parsed_1kr8 1
64 "distance constraint number 64" 259 1 259 33 parsed_1kr8 1
65 "distance constraint number 65" 263 1 263 33 parsed_1kr8 1
66 "distance constraint number 66" 267 1 267 33 parsed_1kr8 1
67 "distance constraint number 67" 271 1 271 33 parsed_1kr8 1
68 "distance constraint number 68" 275 1 275 33 parsed_1kr8 1
69 "distance constraint number 69" 279 1 279 33 parsed_1kr8 1
70 "distance constraint number 70" 283 1 283 33 parsed_1kr8 1
71 "distance constraint number 71" 287 1 287 33 parsed_1kr8 1
72 "distance constraint number 72" 291 1 291 33 parsed_1kr8 1
73 "distance constraint number 73" 295 1 295 33 parsed_1kr8 1
74 "distance constraint number 74" 299 1 299 33 parsed_1kr8 1
75 "distance constraint number 75" 303 1 303 33 parsed_1kr8 1
76 "distance constraint number 76" 307 1 307 33 parsed_1kr8 1
77 "distance constraint number 77" 311 1 311 33 parsed_1kr8 1
78 "distance constraint number 78" 315 1 315 33 parsed_1kr8 1
79 "distance constraint number 79" 319 1 319 33 parsed_1kr8 1
80 "distance constraint number 80" 323 1 323 33 parsed_1kr8 1
81 "distance constraint number 81" 327 1 327 33 parsed_1kr8 1
82 "distance constraint number 82" 331 1 331 33 parsed_1kr8 1
83 "distance constraint number 83" 335 1 335 33 parsed_1kr8 1
84 "distance constraint number 84" 339 1 339 33 parsed_1kr8 1
85 "distance constraint number 85" 343 1 343 33 parsed_1kr8 1
86 "distance constraint number 86" 347 1 347 33 parsed_1kr8 1
87 "distance constraint number 87" 351 1 351 33 parsed_1kr8 1
88 "distance constraint number 88" 355 1 355 33 parsed_1kr8 1
89 "distance constraint number 89" 359 1 359 33 parsed_1kr8 1
90 "end of mardi2amber output" 364 1 364 28 parsed_1kr8 1
stop_
save_
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