NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
639067 |
6mk8   |
30524 | cing | 2-parsed | STAR | distance | NOE | simple | 83 |
data_6mk8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6mk8
_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_6mk8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6mk8
_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 6mk8 "Master copy" parsed_6mk8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6mk8
_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 6mk8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6mk8 1
1 6mk8.mr . . XPLOR/CNS 2 distance NOE simple 83 parsed_6mk8 1
1 6mk8.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6mk8 1
1 6mk8.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6mk8 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6mk8
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_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_6mk8 1
2 1 . . . parsed_6mk8 1
3 1 . . . parsed_6mk8 1
4 1 . . . parsed_6mk8 1
5 1 . . . parsed_6mk8 1
6 1 . . . parsed_6mk8 1
7 1 . . . parsed_6mk8 1
8 1 . . . parsed_6mk8 1
9 1 . . . parsed_6mk8 1
10 1 . . . parsed_6mk8 1
11 1 . . . parsed_6mk8 1
12 1 . . . parsed_6mk8 1
13 1 . . . parsed_6mk8 1
14 1 . . . parsed_6mk8 1
15 1 . . . parsed_6mk8 1
16 1 . . . parsed_6mk8 1
17 1 . . . parsed_6mk8 1
18 1 . . . parsed_6mk8 1
19 1 . . . parsed_6mk8 1
20 1 . . . parsed_6mk8 1
21 1 . . . parsed_6mk8 1
22 1 . . . parsed_6mk8 1
23 1 . . . parsed_6mk8 1
24 1 . . . parsed_6mk8 1
25 1 . . . parsed_6mk8 1
26 1 . . . parsed_6mk8 1
27 1 . . . parsed_6mk8 1
28 1 . . . parsed_6mk8 1
29 1 . . . parsed_6mk8 1
30 1 . . . parsed_6mk8 1
31 1 . . . parsed_6mk8 1
32 1 . . . parsed_6mk8 1
33 1 . . . parsed_6mk8 1
34 1 . . . parsed_6mk8 1
35 1 . . . parsed_6mk8 1
36 1 . . . parsed_6mk8 1
37 1 . . . parsed_6mk8 1
38 1 . . . parsed_6mk8 1
39 1 . . . parsed_6mk8 1
40 1 . . . parsed_6mk8 1
41 1 . . . parsed_6mk8 1
42 1 . . . parsed_6mk8 1
43 1 . . . parsed_6mk8 1
44 1 . . . parsed_6mk8 1
45 1 . . . parsed_6mk8 1
46 1 . . . parsed_6mk8 1
47 1 . . . parsed_6mk8 1
48 1 . . . parsed_6mk8 1
49 1 . . . parsed_6mk8 1
50 1 . . . parsed_6mk8 1
51 1 . . . parsed_6mk8 1
52 1 . . . parsed_6mk8 1
53 1 . . . parsed_6mk8 1
54 1 . . . parsed_6mk8 1
55 1 . . . parsed_6mk8 1
56 1 . . . parsed_6mk8 1
57 1 . . . parsed_6mk8 1
58 1 . . . parsed_6mk8 1
59 1 . . . parsed_6mk8 1
60 1 . . . parsed_6mk8 1
61 1 . . . parsed_6mk8 1
62 1 . . . parsed_6mk8 1
63 1 . . . parsed_6mk8 1
64 1 . . . parsed_6mk8 1
65 1 . . . parsed_6mk8 1
66 1 . . . parsed_6mk8 1
67 1 . . . parsed_6mk8 1
68 1 . . . parsed_6mk8 1
69 1 . . . parsed_6mk8 1
70 1 . . . parsed_6mk8 1
71 1 . . . parsed_6mk8 1
72 1 . . . parsed_6mk8 1
73 1 . . . parsed_6mk8 1
74 1 . . . parsed_6mk8 1
75 1 . . . parsed_6mk8 1
76 1 . . . parsed_6mk8 1
77 1 . . . parsed_6mk8 1
78 1 . . . parsed_6mk8 1
79 1 . . . parsed_6mk8 1
80 1 . . . parsed_6mk8 1
81 1 . . . parsed_6mk8 1
82 1 . . . parsed_6mk8 1
83 1 . . . parsed_6mk8 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 . HA2 parsed_6mk8 1
1 1 2 . . . . . . . . . 2 . HN parsed_6mk8 1
2 1 1 . . . . . . . . . 1 . HA1 parsed_6mk8 1
2 1 2 . . . . . . . . . 2 . HN parsed_6mk8 1
3 1 1 . . . . . . . . . 2 . HN parsed_6mk8 1
3 1 2 . . . . . . . . . 2 . HD2# parsed_6mk8 1
4 1 1 . . . . . . . . . 2 . HN parsed_6mk8 1
4 1 2 . . . . . . . . . 2 . HD1# parsed_6mk8 1
5 1 1 . . . . . . . . . 2 . HN parsed_6mk8 1
5 1 2 . . . . . . . . . 2 . HG parsed_6mk8 1
6 1 1 . . . . . . . . . 2 . HN parsed_6mk8 1
6 1 2 . . . . . . . . . 2 . HB# parsed_6mk8 1
7 1 1 . . . . . . . . . 2 . HD2# parsed_6mk8 1
7 1 2 . . . . . . . . . 3 . HN parsed_6mk8 1
8 1 1 . . . . . . . . . 2 . HG parsed_6mk8 1
8 1 2 . . . . . . . . . 3 . HN parsed_6mk8 1
9 1 1 . . . . . . . . . 2 . HB# parsed_6mk8 1
9 1 2 . . . . . . . . . 3 . HN parsed_6mk8 1
10 1 1 . . . . . . . . . 2 . HN parsed_6mk8 1
10 1 2 . . . . . . . . . 3 . HN parsed_6mk8 1
11 1 1 . . . . . . . . . 2 . HA parsed_6mk8 1
11 1 2 . . . . . . . . . 3 . HN parsed_6mk8 1
12 1 1 . . . . . . . . . 2 . HA parsed_6mk8 1
12 1 2 . . . . . . . . . 5 . HN parsed_6mk8 1
13 1 1 . . . . . . . . . 3 . HN parsed_6mk8 1
13 1 2 . . . . . . . . . 3 . HB# parsed_6mk8 1
14 1 1 . . . . . . . . . 3 . HB# parsed_6mk8 1
14 1 2 . . . . . . . . . 4 . HN parsed_6mk8 1
15 1 1 . . . . . . . . . 3 . HN parsed_6mk8 1
15 1 2 . . . . . . . . . 4 . HN parsed_6mk8 1
16 1 1 . . . . . . . . . 3 . HA parsed_6mk8 1
16 1 2 . . . . . . . . . 4 . HN parsed_6mk8 1
17 1 1 . . . . . . . . . 3 . HN parsed_6mk8 1
17 1 2 . . . . . . . . . 5 . HN parsed_6mk8 1
18 1 1 . . . . . . . . . 3 . HA parsed_6mk8 1
18 1 2 . . . . . . . . . 5 . HN parsed_6mk8 1
19 1 1 . . . . . . . . . 4 . HN parsed_6mk8 1
19 1 2 . . . . . . . . . 4 . HB1 parsed_6mk8 1
20 1 1 . . . . . . . . . 4 . HN parsed_6mk8 1
20 1 2 . . . . . . . . . 4 . HB2 parsed_6mk8 1
21 1 1 . . . . . . . . . 4 . HA parsed_6mk8 1
21 1 2 . . . . . . . . . 5 . HN parsed_6mk8 1
22 1 1 . . . . . . . . . 4 . HN parsed_6mk8 1
22 1 2 . . . . . . . . . 5 . HN parsed_6mk8 1
23 1 1 . . . . . . . . . 4 . HB2 parsed_6mk8 1
23 1 2 . . . . . . . . . 5 . HN parsed_6mk8 1
24 1 1 . . . . . . . . . 4 . HA parsed_6mk8 1
24 1 2 . . . . . . . . . 6 . HN parsed_6mk8 1
25 1 1 . . . . . . . . . 4 . HN parsed_6mk8 1
25 1 2 . . . . . . . . . 6 . HN parsed_6mk8 1
26 1 1 . . . . . . . . . 5 . HN parsed_6mk8 1
26 1 2 . . . . . . . . . 5 . HB1 parsed_6mk8 1
27 1 1 . . . . . . . . . 5 . HB2 parsed_6mk8 1
27 1 2 . . . . . . . . . 6 . HN parsed_6mk8 1
28 1 1 . . . . . . . . . 5 . HB1 parsed_6mk8 1
28 1 2 . . . . . . . . . 6 . HN parsed_6mk8 1
29 1 1 . . . . . . . . . 5 . HN parsed_6mk8 1
29 1 2 . . . . . . . . . 6 . HN parsed_6mk8 1
30 1 1 . . . . . . . . . 5 . HA parsed_6mk8 1
30 1 2 . . . . . . . . . 8 . HN parsed_6mk8 1
31 1 1 . . . . . . . . . 6 . HN parsed_6mk8 1
31 1 2 . . . . . . . . . 6 . HB# parsed_6mk8 1
32 1 1 . . . . . . . . . 6 . HA parsed_6mk8 1
32 1 2 . . . . . . . . . 9 . HN parsed_6mk8 1
33 1 1 . . . . . . . . . 7 . HN parsed_6mk8 1
33 1 2 . . . . . . . . . 8 . HN parsed_6mk8 1
34 1 1 . . . . . . . . . 7 . HA parsed_6mk8 1
34 1 2 . . . . . . . . . 10 . HN parsed_6mk8 1
35 1 1 . . . . . . . . . 8 . HN parsed_6mk8 1
35 1 2 . . . . . . . . . 8 . HG parsed_6mk8 1
36 1 1 . . . . . . . . . 8 . HN parsed_6mk8 1
36 1 2 . . . . . . . . . 8 . HB# parsed_6mk8 1
37 1 1 . . . . . . . . . 8 . HN parsed_6mk8 1
37 1 2 . . . . . . . . . 9 . HN parsed_6mk8 1
38 1 1 . . . . . . . . . 8 . HA parsed_6mk8 1
38 1 2 . . . . . . . . . 9 . HN parsed_6mk8 1
39 1 1 . . . . . . . . . 8 . HG parsed_6mk8 1
39 1 2 . . . . . . . . . 9 . HN parsed_6mk8 1
40 1 1 . . . . . . . . . 8 . HB# parsed_6mk8 1
40 1 2 . . . . . . . . . 9 . HN parsed_6mk8 1
41 1 1 . . . . . . . . . 8 . HA parsed_6mk8 1
41 1 2 . . . . . . . . . 11 . HN parsed_6mk8 1
42 1 1 . . . . . . . . . 9 . HA# parsed_6mk8 1
42 1 2 . . . . . . . . . 10 . HN parsed_6mk8 1
43 1 1 . . . . . . . . . 9 . HN parsed_6mk8 1
43 1 2 . . . . . . . . . 10 . HN parsed_6mk8 1
44 1 1 . . . . . . . . . 9 . HN parsed_6mk8 1
44 1 2 . . . . . . . . . 11 . HN parsed_6mk8 1
45 1 1 . . . . . . . . . 9 . HA# parsed_6mk8 1
45 1 2 . . . . . . . . . 12 . HN parsed_6mk8 1
46 1 1 . . . . . . . . . 9 . HA# parsed_6mk8 1
46 1 2 . . . . . . . . . 12 . HB# parsed_6mk8 1
47 1 1 . . . . . . . . . 9 . HA# parsed_6mk8 1
47 1 2 . . . . . . . . . 12 . HG parsed_6mk8 1
48 1 1 . . . . . . . . . 9 . HN parsed_6mk8 1
48 1 2 . . . . . . . . . 12 . HN parsed_6mk8 1
49 1 1 . . . . . . . . . 9 . HA# parsed_6mk8 1
49 1 2 . . . . . . . . . 12 . HD* parsed_6mk8 1
50 1 1 . . . . . . . . . 10 . HN parsed_6mk8 1
50 1 2 . . . . . . . . . 10 . HG parsed_6mk8 1
51 1 1 . . . . . . . . . 10 . HN parsed_6mk8 1
51 1 2 . . . . . . . . . 10 . HG* parsed_6mk8 1
52 1 1 . . . . . . . . . 10 . HN parsed_6mk8 1
52 1 2 . . . . . . . . . 10 . HB# parsed_6mk8 1
53 1 1 . . . . . . . . . 10 . HN parsed_6mk8 1
53 1 2 . . . . . . . . . 11 . HB# parsed_6mk8 1
54 1 1 . . . . . . . . . 10 . HN parsed_6mk8 1
54 1 2 . . . . . . . . . 11 . HN parsed_6mk8 1
55 1 1 . . . . . . . . . 10 . HG parsed_6mk8 1
55 1 2 . . . . . . . . . 11 . HN parsed_6mk8 1
56 1 1 . . . . . . . . . 10 . HB# parsed_6mk8 1
56 1 2 . . . . . . . . . 11 . HN parsed_6mk8 1
57 1 1 . . . . . . . . . 10 . HN parsed_6mk8 1
57 1 2 . . . . . . . . . 12 . HN parsed_6mk8 1
58 1 1 . . . . . . . . . 10 . HA parsed_6mk8 1
58 1 2 . . . . . . . . . 12 . HN parsed_6mk8 1
59 1 1 . . . . . . . . . 10 . HA parsed_6mk8 1
59 1 2 . . . . . . . . . 13 . H2 parsed_6mk8 1
60 1 1 . . . . . . . . . 10 . HA parsed_6mk8 1
60 1 2 . . . . . . . . . 13 . H1 parsed_6mk8 1
61 1 1 . . . . . . . . . 11 . HZ# parsed_6mk8 1
61 1 2 . . . . . . . . . 11 . HG1 parsed_6mk8 1
62 1 1 . . . . . . . . . 11 . HZ# parsed_6mk8 1
62 1 2 . . . . . . . . . 11 . HD# parsed_6mk8 1
63 1 1 . . . . . . . . . 11 . HN parsed_6mk8 1
63 1 2 . . . . . . . . . 11 . HG2 parsed_6mk8 1
64 1 1 . . . . . . . . . 11 . HN parsed_6mk8 1
64 1 2 . . . . . . . . . 11 . HD# parsed_6mk8 1
65 1 1 . . . . . . . . . 11 . HN parsed_6mk8 1
65 1 2 . . . . . . . . . 11 . HB# parsed_6mk8 1
66 1 1 . . . . . . . . . 11 . HB# parsed_6mk8 1
66 1 2 . . . . . . . . . 12 . HN parsed_6mk8 1
67 1 1 . . . . . . . . . 11 . HN parsed_6mk8 1
67 1 2 . . . . . . . . . 12 . HN parsed_6mk8 1
68 1 1 . . . . . . . . . 12 . HN parsed_6mk8 1
68 1 2 . . . . . . . . . 12 . HG parsed_6mk8 1
69 1 1 . . . . . . . . . 12 . HN parsed_6mk8 1
69 1 2 . . . . . . . . . 12 . HD* parsed_6mk8 1
70 1 1 . . . . . . . . . 12 . HN parsed_6mk8 1
70 1 2 . . . . . . . . . 12 . HB# parsed_6mk8 1
71 1 1 . . . . . . . . . 13 . H2 parsed_6mk8 1
71 1 2 . . . . . . . . . 13 . HG parsed_6mk8 1
72 1 1 . . . . . . . . . 13 . H2 parsed_6mk8 1
72 1 2 . . . . . . . . . 13 . HA parsed_6mk8 1
73 1 1 . . . . . . . . . 13 . H2 parsed_6mk8 1
73 1 2 . . . . . . . . . 13 . HB# parsed_6mk8 1
74 1 1 . . . . . . . . . 13 . HN parsed_6mk8 1
74 1 2 . . . . . . . . . 13 . H2 parsed_6mk8 1
75 1 1 . . . . . . . . . 13 . H1 parsed_6mk8 1
75 1 2 . . . . . . . . . 13 . HG parsed_6mk8 1
76 1 1 . . . . . . . . . 13 . H1 parsed_6mk8 1
76 1 2 . . . . . . . . . 13 . HA parsed_6mk8 1
77 1 1 . . . . . . . . . 13 . H2 parsed_6mk8 1
77 1 2 . . . . . . . . . 13 . HD* parsed_6mk8 1
78 1 1 . . . . . . . . . 13 . H1 parsed_6mk8 1
78 1 2 . . . . . . . . . 13 . HB# parsed_6mk8 1
79 1 1 . . . . . . . . . 13 . HN parsed_6mk8 1
79 1 2 . . . . . . . . . 13 . H1 parsed_6mk8 1
80 1 1 . . . . . . . . . 13 . H1 parsed_6mk8 1
80 1 2 . . . . . . . . . 13 . HD* parsed_6mk8 1
81 1 1 . . . . . . . . . 13 . HN parsed_6mk8 1
81 1 2 . . . . . . . . . 13 . HG parsed_6mk8 1
82 1 1 . . . . . . . . . 13 . HN parsed_6mk8 1
82 1 2 . . . . . . . . . 13 . HD* parsed_6mk8 1
83 1 1 . . . . . . . . . 13 . HN parsed_6mk8 1
83 1 2 . . . . . . . . . 13 . HB# parsed_6mk8 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 . . . . . 3.0 1.8 3.5 parsed_6mk8 1
2 1 . . . . . 3.0 1.8 3.5 parsed_6mk8 1
3 1 . . . . . 3.0 1.8 4.5 parsed_6mk8 1
4 1 . . . . . 3.0 1.8 4.5 parsed_6mk8 1
5 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
6 1 . . . . . 3.0 1.8 5.0 parsed_6mk8 1
7 1 . . . . . 3.0 1.8 4.5 parsed_6mk8 1
8 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
9 1 . . . . . 3.0 1.8 5.0 parsed_6mk8 1
10 1 . . . . . 3.0 1.8 3.5 parsed_6mk8 1
11 1 . . . . . 3.0 1.8 3.5 parsed_6mk8 1
12 1 . . . . . 4.0 1.8 5.0 parsed_6mk8 1
13 1 . . . . . 3.0 1.8 5.0 parsed_6mk8 1
14 1 . . . . . 3.0 1.8 5.0 parsed_6mk8 1
15 1 . . . . . 3.0 1.8 3.5 parsed_6mk8 1
16 1 . . . . . 3.0 1.8 3.5 parsed_6mk8 1
17 1 . . . . . 4.0 1.8 6.0 parsed_6mk8 1
18 1 . . . . . 4.0 1.8 5.0 parsed_6mk8 1
19 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
20 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
21 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
22 1 . . . . . 3.0 1.8 3.5 parsed_6mk8 1
23 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
24 1 . . . . . 4.0 1.8 5.0 parsed_6mk8 1
25 1 . . . . . 4.0 1.8 5.0 parsed_6mk8 1
26 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
27 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
28 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
29 1 . . . . . 3.0 1.8 3.5 parsed_6mk8 1
30 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
31 1 . . . . . 3.0 1.8 5.0 parsed_6mk8 1
32 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
33 1 . . . . . 4.0 1.8 5.0 parsed_6mk8 1
34 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
35 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
36 1 . . . . . 3.0 1.8 5.0 parsed_6mk8 1
37 1 . . . . . 3.0 1.8 3.5 parsed_6mk8 1
38 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
39 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
40 1 . . . . . 3.0 1.8 5.0 parsed_6mk8 1
41 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
42 1 . . . . . 3.0 1.8 5.0 parsed_6mk8 1
43 1 . . . . . 3.0 1.8 3.5 parsed_6mk8 1
44 1 . . . . . 4.0 1.8 6.0 parsed_6mk8 1
45 1 . . . . . 4.0 1.8 6.5 parsed_6mk8 1
46 1 . . . . . 3.0 1.8 5.3 parsed_6mk8 1
47 1 . . . . . 4.0 1.8 6.5 parsed_6mk8 1
48 1 . . . . . 4.0 1.8 5.0 parsed_6mk8 1
49 1 . . . . . 3.0 1.8 5.8 parsed_6mk8 1
50 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
51 1 . . . . . 3.0 1.8 5.5 parsed_6mk8 1
52 1 . . . . . 3.0 1.8 5.0 parsed_6mk8 1
53 1 . . . . . 4.0 1.8 7.5 parsed_6mk8 1
54 1 . . . . . 3.0 1.8 3.5 parsed_6mk8 1
55 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
56 1 . . . . . 3.0 1.8 5.0 parsed_6mk8 1
57 1 . . . . . 4.0 1.8 6.0 parsed_6mk8 1
58 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
59 1 . . . . . 4.0 1.8 5.0 parsed_6mk8 1
60 1 . . . . . 3.0 1.8 3.3 parsed_6mk8 1
61 1 . . . . . 4.0 1.8 6.5 parsed_6mk8 1
62 1 . . . . . 4.0 1.8 6.0 parsed_6mk8 1
63 1 . . . . . 3.0 1.8 4.8 parsed_6mk8 1
64 1 . . . . . 3.0 1.8 5.0 parsed_6mk8 1
65 1 . . . . . 3.0 1.8 5.0 parsed_6mk8 1
66 1 . . . . . 3.0 1.8 5.0 parsed_6mk8 1
67 1 . . . . . 3.0 1.8 3.5 parsed_6mk8 1
68 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
69 1 . . . . . 3.0 1.8 5.5 parsed_6mk8 1
70 1 . . . . . 3.0 1.8 5.0 parsed_6mk8 1
71 1 . . . . . 4.0 1.8 6.0 parsed_6mk8 1
72 1 . . . . . 4.0 1.8 5.0 parsed_6mk8 1
73 1 . . . . . 4.0 1.8 6.5 parsed_6mk8 1
74 1 . . . . . 4.0 1.8 5.0 parsed_6mk8 1
75 1 . . . . . 4.0 1.8 5.0 parsed_6mk8 1
76 1 . . . . . 4.0 1.8 5.0 parsed_6mk8 1
77 1 . . . . . 3.0 1.8 5.3 parsed_6mk8 1
78 1 . . . . . 3.0 1.8 4.8 parsed_6mk8 1
79 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
80 1 . . . . . 3.0 1.8 5.3 parsed_6mk8 1
81 1 . . . . . 3.0 1.8 3.8 parsed_6mk8 1
82 1 . . . . . 3.0 1.8 5.5 parsed_6mk8 1
83 1 . . . . . 3.0 1.8 5.0 parsed_6mk8 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
;
The FOLLOWING IS A LIST OF NMR RESTRAINTS OBTAINED FROM THE STRUCTURAL CALCULATIONS OF DFT503
THIS PART CONTAINS DISTANCE INFORMATION.
pck2xplr.nawk Table; Input File: noe1027
Date: Mon Oct 27 12:12:08 EST 2014
Path: /hbar1/gswang/G503/g503sds40_wgnoesy_25c55_102314.fid
@ BEGIN_XPLR_PCK_SUM
LBL File-Name All Intra Seq. Short Long
A noe1027 83 35 30 18 0
Total 83 35 30 18 0
@ END_XPLR_PCK_SUM
@ BEGIN_XPLR_NOE_FILE
1
;
2 1 16 4 parsed_6mk8 1
2 "A.34 at 9.67e+04" 17 77 17 97 parsed_6mk8 1
3
;
A.33 at 1.18e+05
2
;
18 77 20 4 parsed_6mk8 1
4 "A.65 at 3.91e+04" 21 77 21 97 parsed_6mk8 1
5 "A.64 at 3.96e+04" 22 77 22 97 parsed_6mk8 1
6 "A.63 at 7.23e+04" 23 77 23 97 parsed_6mk8 1
7 "A.62 at 2.36e+05" 24 77 24 97 parsed_6mk8 1
8 "A.72 at 3.92e+04" 25 77 25 97 parsed_6mk8 1
9 "A.74 at 5.98e+04" 26 77 26 97 parsed_6mk8 1
10 "A.73 at 6.40e+04" 27 77 27 97 parsed_6mk8 1
11 "A.1 at 7.03e+04" 28 77 28 97 parsed_6mk8 1
12 "A.31 at 9.53e+04" 29 77 29 97 parsed_6mk8 1
13
;
A.32 at 2.32e+04
3
;
30 77 32 4 parsed_6mk8 1
14 "A.46 at 1.24e+05" 33 77 33 97 parsed_6mk8 1
15 "A.41 at 5.08e+04" 34 77 34 97 parsed_6mk8 1
16 "A.6 at 6.77e+04" 35 77 35 97 parsed_6mk8 1
17 "A.40 at 7.48e+04" 36 77 36 97 parsed_6mk8 1
18 "A.8 at 1.55e+04" 37 77 37 97 parsed_6mk8 1
19
;
A.54 at 2.49e+04
4
;
38 77 40 4 parsed_6mk8 1
20 "A.76 at 1.43e+05" 41 77 41 97 parsed_6mk8 1
21 "A.77 at 1.55e+05" 42 77 42 97 parsed_6mk8 1
22 "A.38 at 3.68e+04" 43 77 43 97 parsed_6mk8 1
23 "A.11 at 6.12e+04" 44 77 44 97 parsed_6mk8 1
24 "A.87 at 8.92e+04" 45 77 45 97 parsed_6mk8 1
25 "A.52 at 1.87e+04" 46 77 46 97 parsed_6mk8 1
26
;
A.16 at 2.47e+04
5
;
47 77 49 4 parsed_6mk8 1
27 "A.86 at 1.81e+05" 50 77 50 97 parsed_6mk8 1
28 "A.90 at 4.89e+04" 51 77 51 97 parsed_6mk8 1
29 "A.93 at 7.03e+04" 52 77 52 97 parsed_6mk8 1
30 "A.13 at 1.05e+05" 53 77 53 97 parsed_6mk8 1
31
;
A.43 at 2.82e+04
6
;
54 77 56 4 parsed_6mk8 1
32 "A.89 at 2.36e+05" 57 77 57 97 parsed_6mk8 1
33
;
A.49 at 6.03e+04
7
;
58 77 60 4 parsed_6mk8 1
34 "A.14 at 2.60e+04" 61 77 61 97 parsed_6mk8 1
35
;
A.45 at 2.87e+04
8
;
62 77 64 4 parsed_6mk8 1
36 "A.80 at 3.64e+04" 65 77 65 97 parsed_6mk8 1
37 "A.79 at 4.65e+04" 66 77 66 97 parsed_6mk8 1
38 "A.4 at 2.95e+04" 67 77 67 97 parsed_6mk8 1
39 "A.48 at 4.20e+04" 68 77 68 97 parsed_6mk8 1
40 "A.67 at 8.11e+04" 69 77 69 97 parsed_6mk8 1
41 "A.66 at 8.62e+04" 70 77 70 97 parsed_6mk8 1
42
;
A.56 at 6.42e+04
9
;
71 77 73 4 parsed_6mk8 1
43 "A.36 at 3.45e+04" 74 77 74 97 parsed_6mk8 1
44 "A.2 at 6.07e+04" 75 77 75 97 parsed_6mk8 1
45 "A.7 at 1.53e+04" 76 77 76 97 parsed_6mk8 1
46 "A.37 at 1.42e+04" 77 77 77 97 parsed_6mk8 1
47 "A.102 at 3.56e+04" 78 77 78 98 parsed_6mk8 1
48 A.add 79 77 79 84 parsed_6mk8 1
49 "A.5 at 1.79e+04" 80 77 80 97 parsed_6mk8 1
50
;
A.104 at 8.31e+04
10
;
81 77 83 5 parsed_6mk8 1
51 "A.69 at 4.26e+04" 84 77 84 97 parsed_6mk8 1
52 "A.70 at 7.16e+04" 85 77 85 97 parsed_6mk8 1
53 "A.68 at 1.23e+05" 86 77 86 97 parsed_6mk8 1
54 "A.71 at 1.49e+04" 87 77 87 97 parsed_6mk8 1
55 "A.9 at 5.31e+04" 88 77 88 97 parsed_6mk8 1
56 "A.83 at 8.01e+04" 89 77 89 97 parsed_6mk8 1
57 "A.82 at 9.61e+04" 90 77 90 97 parsed_6mk8 1
58 "A.15 at 1.37e+04" 91 77 91 97 parsed_6mk8 1
59 "A.59 at 8.36e+04" 92 77 92 97 parsed_6mk8 1
60 "A.22 at 2.13e+04" 93 77 93 97 parsed_6mk8 1
61
;
A.21 at 3.73e+04
11
;
94 77 96 5 parsed_6mk8 1
62 "A.111 at 1.28e+04" 97 77 97 97 parsed_6mk8 1
63 "A.110 at 2.80e+04" 98 77 98 97 parsed_6mk8 1
64 "A.84 at 3.16e+04" 99 77 99 97 parsed_6mk8 1
65 "A.85 at 4.92e+04" 100 77 100 97 parsed_6mk8 1
66 "A.81 at 3.08e+05" 101 77 101 97 parsed_6mk8 1
67 "A.97 at 7.35e+04" 102 77 102 97 parsed_6mk8 1
68
;
A.12 at 8.58e+04
12
;
103 77 105 5 parsed_6mk8 1
69 "A.100 at 7.43e+04" 106 77 106 97 parsed_6mk8 1
70 "A.107 at 1.16e+05" 107 77 107 97 parsed_6mk8 1
71
;
A.98 at 1.46e+05
13
;
108 77 110 5 parsed_6mk8 1
72 "A.26 at 1.52e+04" 111 77 111 97 parsed_6mk8 1
73 "A.20 at 1.73e+04" 112 77 112 97 parsed_6mk8 1
74 "A.24 at 1.87e+04" 113 77 113 97 parsed_6mk8 1
75 "A.18 at 1.90e+04" 114 77 114 97 parsed_6mk8 1
76 "A.25 at 2.38e+04" 115 77 115 97 parsed_6mk8 1
77 "A.19 at 2.63e+04" 116 77 116 97 parsed_6mk8 1
78 "A.28 at 3.02e+04" 117 77 117 97 parsed_6mk8 1
79 "A.23 at 3.09e+04" 118 77 118 97 parsed_6mk8 1
80 "A.17 at 3.30e+04" 119 77 119 97 parsed_6mk8 1
81 "A.27 at 3.87e+04" 120 77 120 97 parsed_6mk8 1
82 "A.96 at 7.57e+04" 121 77 121 97 parsed_6mk8 1
83 "A.106 at 7.87e+04" 122 77 122 97 parsed_6mk8 1
84 "A.94 at 1.27e+05" 123 77 123 97 parsed_6mk8 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 1: G503_restraints.tbl" 1 1 1 40 parsed_6mk8 1
stop_
save_
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