NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype | item_count |
|
|
36348 |
1ne5   |
5652 | cing | recoord | 2-parsed | STAR | distance | NOE | simple | 47 |
data_1ne5_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ne5
_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_1ne5 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ne5
_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 1ne5 "Master copy" parsed_1ne5
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ne5
_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 1ne5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ne5 1
1 1ne5.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 11 parsed_1ne5 1
1 1ne5.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1ne5 1
1 1ne5.mr . . XPLOR/CNS 4 distance NOE simple 403 parsed_1ne5 1
1 1ne5.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 16 parsed_1ne5 1
1 1ne5.mr . . XPLOR/CNS 6 distance NOE simple 44 parsed_1ne5 1
1 1ne5.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 4 parsed_1ne5 1
1 1ne5.mr . . XPLOR/CNS 8 distance NOE simple 14 parsed_1ne5 1
1 1ne5.mr . . XPLOR/CNS 9 distance "hydrogen bond" simple 2 parsed_1ne5 1
1 1ne5.mr . . XPLOR/CNS 10 distance NOE simple 33 parsed_1ne5 1
1 1ne5.mr . . XPLOR/CNS 11 distance "hydrogen bond" simple 4 parsed_1ne5 1
1 1ne5.mr . . XPLOR/CNS 12 distance NOE simple 47 parsed_1ne5 1
1 1ne5.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_1ne5 1
1 1ne5.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ne5 1
stop_
save_
save_CNS/XPLOR_distance_constraints_12
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ne5
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 12
_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_1ne5 1
2 1 . . . parsed_1ne5 1
3 1 . . . parsed_1ne5 1
4 1 . . . parsed_1ne5 1
5 1 . . . parsed_1ne5 1
6 1 . . . parsed_1ne5 1
7 1 . . . parsed_1ne5 1
8 1 . . . parsed_1ne5 1
9 1 . . . parsed_1ne5 1
10 1 . . . parsed_1ne5 1
11 1 . . . parsed_1ne5 1
12 1 . . . parsed_1ne5 1
13 1 . . . parsed_1ne5 1
14 1 . . . parsed_1ne5 1
15 1 . . . parsed_1ne5 1
16 1 . . . parsed_1ne5 1
17 1 . . . parsed_1ne5 1
18 1 . . . parsed_1ne5 1
19 1 . . . parsed_1ne5 1
20 1 . . . parsed_1ne5 1
21 1 . . . parsed_1ne5 1
22 1 . . . parsed_1ne5 1
23 1 . . . parsed_1ne5 1
24 1 . . . parsed_1ne5 1
25 1 . . . parsed_1ne5 1
26 1 . . . parsed_1ne5 1
27 1 . . . parsed_1ne5 1
28 1 . . . parsed_1ne5 1
29 1 . . . parsed_1ne5 1
30 1 . . . parsed_1ne5 1
31 1 . . . parsed_1ne5 1
32 1 . . . parsed_1ne5 1
33 1 . . . parsed_1ne5 1
34 1 . . . parsed_1ne5 1
35 1 . . . parsed_1ne5 1
36 1 . . . parsed_1ne5 1
37 1 . . . parsed_1ne5 1
38 1 . . . parsed_1ne5 1
39 1 . . . parsed_1ne5 1
40 1 . . . parsed_1ne5 1
41 1 . . . parsed_1ne5 1
42 1 . . . parsed_1ne5 1
43 1 . . . parsed_1ne5 1
44 1 . . . parsed_1ne5 1
45 1 . . . parsed_1ne5 1
46 1 . . . parsed_1ne5 1
47 1 . . . parsed_1ne5 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 . . . . . . . . . 12 . HN parsed_1ne5 1
1 1 2 . . . . . . . . . 34 . HB* parsed_1ne5 1
2 1 1 . . . . . . . . . 12 . HB* parsed_1ne5 1
2 1 2 . . . . . . . . . 34 . HB* parsed_1ne5 1
3 1 1 . . . . . . . . . 11 . HB2 parsed_1ne5 1
3 1 2 . . . . . . . . . 34 . HA parsed_1ne5 1
4 1 1 . . . . . . . . . 11 . HB2 parsed_1ne5 1
4 1 2 . . . . . . . . . 34 . HB2 parsed_1ne5 1
5 1 1 . . . . . . . . . 11 . HB2 parsed_1ne5 1
5 1 2 . . . . . . . . . 34 . HB1 parsed_1ne5 1
6 1 1 . . . . . . . . . 11 . HB1 parsed_1ne5 1
6 1 2 . . . . . . . . . 34 . HA parsed_1ne5 1
7 1 1 . . . . . . . . . 11 . HB1 parsed_1ne5 1
7 1 2 . . . . . . . . . 34 . HB2 parsed_1ne5 1
8 1 1 . . . . . . . . . 11 . HB1 parsed_1ne5 1
8 1 2 . . . . . . . . . 34 . HB1 parsed_1ne5 1
9 1 1 . . . . . . . . . 11 . HB* parsed_1ne5 1
9 1 2 . . . . . . . . . 34 . HB* parsed_1ne5 1
10 1 1 . . . . . . . . . 13 . HG2 parsed_1ne5 1
10 1 2 . . . . . . . . . 36 . HA parsed_1ne5 1
11 1 1 . . . . . . . . . 13 . HG2 parsed_1ne5 1
11 1 2 . . . . . . . . . 36 . HD1 parsed_1ne5 1
12 1 1 . . . . . . . . . 13 . HG1 parsed_1ne5 1
12 1 2 . . . . . . . . . 36 . HA parsed_1ne5 1
13 1 1 . . . . . . . . . 13 . HG1 parsed_1ne5 1
13 1 2 . . . . . . . . . 36 . HD1 parsed_1ne5 1
14 1 1 . . . . . . . . . 13 . HN parsed_1ne5 1
14 1 2 . . . . . . . . . 37 . HD1 parsed_1ne5 1
15 1 1 . . . . . . . . . 13 . HN parsed_1ne5 1
15 1 2 . . . . . . . . . 37 . HE1 parsed_1ne5 1
16 1 1 . . . . . . . . . 13 . HB2 parsed_1ne5 1
16 1 2 . . . . . . . . . 37 . HE1 parsed_1ne5 1
17 1 1 . . . . . . . . . 13 . HB2 parsed_1ne5 1
17 1 2 . . . . . . . . . 37 . HZ parsed_1ne5 1
18 1 1 . . . . . . . . . 13 . HB1 parsed_1ne5 1
18 1 2 . . . . . . . . . 37 . HE1 parsed_1ne5 1
19 1 1 . . . . . . . . . 13 . HB1 parsed_1ne5 1
19 1 2 . . . . . . . . . 37 . HZ parsed_1ne5 1
20 1 1 . . . . . . . . . 13 . HB* parsed_1ne5 1
20 1 2 . . . . . . . . . 37 . HE1 parsed_1ne5 1
21 1 1 . . . . . . . . . 13 . HB* parsed_1ne5 1
21 1 2 . . . . . . . . . 37 . HZ parsed_1ne5 1
22 1 1 . . . . . . . . . 13 . HG* parsed_1ne5 1
22 1 2 . . . . . . . . . 37 . HN parsed_1ne5 1
23 1 1 . . . . . . . . . 13 . HG* parsed_1ne5 1
23 1 2 . . . . . . . . . 37 . HE1 parsed_1ne5 1
24 1 1 . . . . . . . . . 13 . HG* parsed_1ne5 1
24 1 2 . . . . . . . . . 37 . HZ parsed_1ne5 1
25 1 1 . . . . . . . . . 13 . HD* parsed_1ne5 1
25 1 2 . . . . . . . . . 37 . HE1 parsed_1ne5 1
26 1 1 . . . . . . . . . 13 . HD* parsed_1ne5 1
26 1 2 . . . . . . . . . 37 . HZ parsed_1ne5 1
27 1 1 . . . . . . . . . 13 . HE* parsed_1ne5 1
27 1 2 . . . . . . . . . 37 . HE1 parsed_1ne5 1
28 1 1 . . . . . . . . . 12 . HA parsed_1ne5 1
28 1 2 . . . . . . . . . 37 . HD1 parsed_1ne5 1
29 1 1 . . . . . . . . . 12 . HA parsed_1ne5 1
29 1 2 . . . . . . . . . 37 . HE1 parsed_1ne5 1
30 1 1 . . . . . . . . . 37 . HN parsed_1ne5 1
30 1 2 . . . . . . . . . 12 . O parsed_1ne5 1
31 1 1 . . . . . . . . . 37 . N parsed_1ne5 1
31 1 2 . . . . . . . . . 12 . O parsed_1ne5 1
32 1 1 . . . . . . . . . 11 . HB* parsed_1ne5 1
32 1 2 . . . . . . . . . 37 . HA parsed_1ne5 1
33 1 1 . . . . . . . . . 10 . HG* parsed_1ne5 1
33 1 2 . . . . . . . . . 37 . HN parsed_1ne5 1
34 1 1 . . . . . . . . . 9 . HB2 parsed_1ne5 1
34 1 2 . . . . . . . . . 39 . HB2 parsed_1ne5 1
35 1 1 . . . . . . . . . 9 . HB2 parsed_1ne5 1
35 1 2 . . . . . . . . . 39 . HB1 parsed_1ne5 1
36 1 1 . . . . . . . . . 9 . HB1 parsed_1ne5 1
36 1 2 . . . . . . . . . 39 . HB2 parsed_1ne5 1
37 1 1 . . . . . . . . . 9 . HB1 parsed_1ne5 1
37 1 2 . . . . . . . . . 39 . HB1 parsed_1ne5 1
38 1 1 . . . . . . . . . 9 . HB* parsed_1ne5 1
38 1 2 . . . . . . . . . 39 . HB* parsed_1ne5 1
39 1 1 . . . . . . . . . 6 . HG* parsed_1ne5 1
39 1 2 . . . . . . . . . 38 . HB* parsed_1ne5 1
40 1 1 . . . . . . . . . 6 . HG* parsed_1ne5 1
40 1 2 . . . . . . . . . 38 . HG* parsed_1ne5 1
41 1 1 . . . . . . . . . 6 . HA parsed_1ne5 1
41 1 2 . . . . . . . . . 39 . HN parsed_1ne5 1
42 1 1 . . . . . . . . . 6 . HA parsed_1ne5 1
42 1 2 . . . . . . . . . 39 . HB2 parsed_1ne5 1
43 1 1 . . . . . . . . . 6 . HA parsed_1ne5 1
43 1 2 . . . . . . . . . 39 . HB1 parsed_1ne5 1
44 1 1 . . . . . . . . . 6 . HA parsed_1ne5 1
44 1 2 . . . . . . . . . 39 . HB* parsed_1ne5 1
45 1 1 . . . . . . . . . 6 . HG* parsed_1ne5 1
45 1 2 . . . . . . . . . 39 . HN parsed_1ne5 1
46 1 1 . . . . . . . . . 6 . HN parsed_1ne5 1
46 1 2 . . . . . . . . . 40 . HA parsed_1ne5 1
47 1 1 . . . . . . . . . 6 . HG* parsed_1ne5 1
47 1 2 . . . . . . . . . 41 . HN parsed_1ne5 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 . . . . . 0.00 0.00 6.25 parsed_1ne5 1
2 1 . . . . . 0.00 0.00 6.32 parsed_1ne5 1
3 1 . . . . . 0.00 0.00 5.50 parsed_1ne5 1
4 1 . . . . . 0.00 0.00 5.95 parsed_1ne5 1
5 1 . . . . . 0.00 0.00 5.95 parsed_1ne5 1
6 1 . . . . . 0.00 0.00 5.50 parsed_1ne5 1
7 1 . . . . . 0.00 0.00 5.95 parsed_1ne5 1
8 1 . . . . . 0.00 0.00 5.95 parsed_1ne5 1
9 1 . . . . . 0.00 0.00 4.59 parsed_1ne5 1
10 1 . . . . . 0.00 0.00 4.63 parsed_1ne5 1
11 1 . . . . . 0.00 0.00 5.50 parsed_1ne5 1
12 1 . . . . . 0.00 0.00 4.63 parsed_1ne5 1
13 1 . . . . . 0.00 0.00 5.50 parsed_1ne5 1
14 1 . . . . . 0.00 0.00 5.50 parsed_1ne5 1
15 1 . . . . . 0.00 0.00 4.57 parsed_1ne5 1
16 1 . . . . . 0.00 0.00 5.50 parsed_1ne5 1
17 1 . . . . . 0.00 0.00 5.50 parsed_1ne5 1
18 1 . . . . . 0.00 0.00 5.50 parsed_1ne5 1
19 1 . . . . . 0.00 0.00 5.50 parsed_1ne5 1
20 1 . . . . . 0.00 0.00 4.66 parsed_1ne5 1
21 1 . . . . . 0.00 0.00 4.67 parsed_1ne5 1
22 1 . . . . . 0.00 0.00 6.38 parsed_1ne5 1
23 1 . . . . . 0.00 0.00 5.88 parsed_1ne5 1
24 1 . . . . . 0.00 0.00 6.38 parsed_1ne5 1
25 1 . . . . . 0.00 0.00 5.88 parsed_1ne5 1
26 1 . . . . . 0.00 0.00 5.79 parsed_1ne5 1
27 1 . . . . . 0.00 0.00 5.54 parsed_1ne5 1
28 1 . . . . . 0.00 0.00 4.54 parsed_1ne5 1
29 1 . . . . . 0.00 0.00 5.16 parsed_1ne5 1
30 1 . . . . . 2.20 2.00 2.20 parsed_1ne5 1
31 1 . . . . . 3.20 2.90 3.20 parsed_1ne5 1
32 1 . . . . . 0.00 0.00 5.01 parsed_1ne5 1
33 1 . . . . . 0.00 0.00 6.25 parsed_1ne5 1
34 1 . . . . . 0.00 0.00 5.89 parsed_1ne5 1
35 1 . . . . . 0.00 0.00 5.89 parsed_1ne5 1
36 1 . . . . . 0.00 0.00 5.89 parsed_1ne5 1
37 1 . . . . . 0.00 0.00 5.89 parsed_1ne5 1
38 1 . . . . . 0.00 0.00 4.80 parsed_1ne5 1
39 1 . . . . . 0.00 0.00 7.79 parsed_1ne5 1
40 1 . . . . . 0.00 0.00 7.79 parsed_1ne5 1
41 1 . . . . . 0.00 0.00 3.92 parsed_1ne5 1
42 1 . . . . . 0.00 0.00 5.13 parsed_1ne5 1
43 1 . . . . . 0.00 0.00 5.13 parsed_1ne5 1
44 1 . . . . . 0.00 0.00 4.63 parsed_1ne5 1
45 1 . . . . . 0.00 0.00 8.09 parsed_1ne5 1
46 1 . . . . . 0.00 0.00 5.07 parsed_1ne5 1
47 1 . . . . . 0.00 0.00 8.09 parsed_1ne5 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
;
total in this range: 10
range |i-j| = 22
;
1 1 2 22 parsed_1ne5 1
2
;
total in this range: 2
range |i-j| = 23
;
5 1 6 22 parsed_1ne5 1
3
;
total in this range: 11
range |i-j| = 24
;
18 1 19 22 parsed_1ne5 1
4
;
total in this range: 14
range |i-j| = 25
;
34 1 35 22 parsed_1ne5 1
5 "hydrogen bond" 38 1 38 16 parsed_1ne5 1
6 "hydrogen bond" 40 1 40 16 parsed_1ne5 1
7
;
total in this range: 4
range |i-j| = 26
;
42 1 43 22 parsed_1ne5 1
8
;
total in this range: 1
range |i-j| = 27
;
45 1 46 22 parsed_1ne5 1
9
;
total in this range: 1
range |i-j| = 30
;
48 1 49 22 parsed_1ne5 1
10
;
total in this range: 5
range |i-j| = 32
;
55 1 56 22 parsed_1ne5 1
11
;
total in this range: 2
range |i-j| = 33
;
59 1 60 22 parsed_1ne5 1
12
;
total in this range: 5
range |i-j| = 34
;
66 1 67 22 parsed_1ne5 1
13
;
total in this range: 1
range |i-j| = 35
;
69 1 70 22 parsed_1ne5 1
14
;
total in this range: 1
total constraints: 567
;
72 1 73 30 parsed_1ne5 1
stop_
save_
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