NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
36492 |
1nnv   |
5779 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 59 |
data_1nnv_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1nnv
_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_1nnv 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1nnv
_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 1nnv "Master copy" parsed_1nnv
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1nnv
_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 1nnv.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1nnv 1
1 1nnv.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1nnv 1
1 1nnv.mr . . XPLOR/CNS 3 distance NOE ambi 658 parsed_1nnv 1
1 1nnv.mr . . XPLOR/CNS 4 distance NOE ambi 2049 parsed_1nnv 1
1 1nnv.mr . . XPLOR/CNS 5 distance NOE ambi 835 parsed_1nnv 1
1 1nnv.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 66 parsed_1nnv 1
1 1nnv.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 59 parsed_1nnv 1
1 1nnv.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1nnv 1
1 1nnv.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1nnv 1
stop_
save_
save_CNS/XPLOR_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1nnv
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_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_1nnv 1
2 1 . . . parsed_1nnv 1
3 1 . . . parsed_1nnv 1
4 1 . . . parsed_1nnv 1
5 1 . . . parsed_1nnv 1
6 1 . . . parsed_1nnv 1
7 1 . . . parsed_1nnv 1
8 1 . . . parsed_1nnv 1
9 1 . . . parsed_1nnv 1
10 1 . . . parsed_1nnv 1
11 1 . . . parsed_1nnv 1
12 1 . . . parsed_1nnv 1
13 1 . . . parsed_1nnv 1
14 1 . . . parsed_1nnv 1
15 1 . . . parsed_1nnv 1
16 1 . . . parsed_1nnv 1
17 1 . . . parsed_1nnv 1
18 1 . . . parsed_1nnv 1
19 1 . . . parsed_1nnv 1
20 1 . . . parsed_1nnv 1
21 1 . . . parsed_1nnv 1
22 1 . . . parsed_1nnv 1
23 1 . . . parsed_1nnv 1
24 1 . . . parsed_1nnv 1
25 1 . . . parsed_1nnv 1
26 1 . . . parsed_1nnv 1
27 1 . . . parsed_1nnv 1
28 1 . . . parsed_1nnv 1
29 1 . . . parsed_1nnv 1
30 1 . . . parsed_1nnv 1
31 1 . . . parsed_1nnv 1
32 1 . . . parsed_1nnv 1
33 1 . . . parsed_1nnv 1
34 1 . . . parsed_1nnv 1
35 1 . . . parsed_1nnv 1
36 1 . . . parsed_1nnv 1
37 1 . . . parsed_1nnv 1
38 1 . . . parsed_1nnv 1
39 1 . . . parsed_1nnv 1
40 1 . . . parsed_1nnv 1
41 1 . . . parsed_1nnv 1
42 1 . . . parsed_1nnv 1
43 1 . . . parsed_1nnv 1
44 1 . . . parsed_1nnv 1
45 1 . . . parsed_1nnv 1
46 1 . . . parsed_1nnv 1
47 1 . . . parsed_1nnv 1
48 1 . . . parsed_1nnv 1
49 1 . . . parsed_1nnv 1
50 1 . . . parsed_1nnv 1
51 1 . . . parsed_1nnv 1
52 1 . . . parsed_1nnv 1
53 1 . . . parsed_1nnv 1
54 1 . . . parsed_1nnv 1
55 1 . . . parsed_1nnv 1
56 1 . . . parsed_1nnv 1
57 1 . . . parsed_1nnv 1
58 1 . . . parsed_1nnv 1
59 1 . . . parsed_1nnv 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 . . . . . . . . . 68 . N parsed_1nnv 1
1 1 2 . . . . . . . . . 66 . O parsed_1nnv 1
2 1 1 . . . . . . . . . 68 . HN parsed_1nnv 1
2 1 2 . . . . . . . . . 66 . O parsed_1nnv 1
3 1 1 . . . . . . . . . 48 . N parsed_1nnv 1
3 1 2 . . . . . . . . . 73 . O parsed_1nnv 1
4 1 1 . . . . . . . . . 48 . HN parsed_1nnv 1
4 1 2 . . . . . . . . . 73 . O parsed_1nnv 1
5 1 1 . . . . . . . . . 73 . N parsed_1nnv 1
5 1 2 . . . . . . . . . 48 . O parsed_1nnv 1
6 1 1 . . . . . . . . . 73 . HN parsed_1nnv 1
6 1 2 . . . . . . . . . 48 . O parsed_1nnv 1
7 1 1 . . . . . . . . . 50 . N parsed_1nnv 1
7 1 2 . . . . . . . . . 71 . O parsed_1nnv 1
8 1 1 . . . . . . . . . 50 . HN parsed_1nnv 1
8 1 2 . . . . . . . . . 71 . O parsed_1nnv 1
9 1 1 . . . . . . . . . 71 . HN parsed_1nnv 1
9 1 2 . . . . . . . . . 50 . O parsed_1nnv 1
10 1 1 . . . . . . . . . 70 . N parsed_1nnv 1
10 1 2 . . . . . . . . . 92 . O parsed_1nnv 1
11 1 1 . . . . . . . . . 70 . HN parsed_1nnv 1
11 1 2 . . . . . . . . . 92 . O parsed_1nnv 1
12 1 1 . . . . . . . . . 92 . N parsed_1nnv 1
12 1 2 . . . . . . . . . 70 . O parsed_1nnv 1
13 1 1 . . . . . . . . . 92 . HN parsed_1nnv 1
13 1 2 . . . . . . . . . 70 . O parsed_1nnv 1
14 1 1 . . . . . . . . . 72 . N parsed_1nnv 1
14 1 2 . . . . . . . . . 90 . O parsed_1nnv 1
15 1 1 . . . . . . . . . 72 . HN parsed_1nnv 1
15 1 2 . . . . . . . . . 90 . O parsed_1nnv 1
16 1 1 . . . . . . . . . 90 . N parsed_1nnv 1
16 1 2 . . . . . . . . . 72 . O parsed_1nnv 1
17 1 1 . . . . . . . . . 90 . HN parsed_1nnv 1
17 1 2 . . . . . . . . . 72 . O parsed_1nnv 1
18 1 1 . . . . . . . . . 74 . N parsed_1nnv 1
18 1 2 . . . . . . . . . 88 . O parsed_1nnv 1
19 1 1 . . . . . . . . . 74 . HN parsed_1nnv 1
19 1 2 . . . . . . . . . 88 . O parsed_1nnv 1
20 1 1 . . . . . . . . . 88 . N parsed_1nnv 1
20 1 2 . . . . . . . . . 74 . O parsed_1nnv 1
21 1 1 . . . . . . . . . 88 . HN parsed_1nnv 1
21 1 2 . . . . . . . . . 74 . O parsed_1nnv 1
22 1 1 . . . . . . . . . 76 . N parsed_1nnv 1
22 1 2 . . . . . . . . . 85 . O parsed_1nnv 1
23 1 1 . . . . . . . . . 76 . HN parsed_1nnv 1
23 1 2 . . . . . . . . . 85 . O parsed_1nnv 1
24 1 1 . . . . . . . . . 89 . N parsed_1nnv 1
24 1 2 . . . . . . . . . 104 . O parsed_1nnv 1
25 1 1 . . . . . . . . . 89 . HN parsed_1nnv 1
25 1 2 . . . . . . . . . 104 . O parsed_1nnv 1
26 1 1 . . . . . . . . . 104 . N parsed_1nnv 1
26 1 2 . . . . . . . . . 89 . O parsed_1nnv 1
27 1 1 . . . . . . . . . 104 . HN parsed_1nnv 1
27 1 2 . . . . . . . . . 89 . O parsed_1nnv 1
28 1 1 . . . . . . . . . 91 . N parsed_1nnv 1
28 1 2 . . . . . . . . . 102 . O parsed_1nnv 1
29 1 1 . . . . . . . . . 91 . HN parsed_1nnv 1
29 1 2 . . . . . . . . . 102 . O parsed_1nnv 1
30 1 1 . . . . . . . . . 102 . N parsed_1nnv 1
30 1 2 . . . . . . . . . 91 . O parsed_1nnv 1
31 1 1 . . . . . . . . . 102 . HN parsed_1nnv 1
31 1 2 . . . . . . . . . 91 . O parsed_1nnv 1
32 1 1 . . . . . . . . . 93 . N parsed_1nnv 1
32 1 2 . . . . . . . . . 100 . O parsed_1nnv 1
33 1 1 . . . . . . . . . 93 . HN parsed_1nnv 1
33 1 2 . . . . . . . . . 100 . O parsed_1nnv 1
34 1 1 . . . . . . . . . 14 . N parsed_1nnv 1
34 1 2 . . . . . . . . . 10 . O parsed_1nnv 1
35 1 1 . . . . . . . . . 14 . HN parsed_1nnv 1
35 1 2 . . . . . . . . . 10 . O parsed_1nnv 1
36 1 1 . . . . . . . . . 15 . N parsed_1nnv 1
36 1 2 . . . . . . . . . 11 . O parsed_1nnv 1
37 1 1 . . . . . . . . . 15 . HN parsed_1nnv 1
37 1 2 . . . . . . . . . 11 . O parsed_1nnv 1
38 1 1 . . . . . . . . . 16 . N parsed_1nnv 1
38 1 2 . . . . . . . . . 12 . O parsed_1nnv 1
39 1 1 . . . . . . . . . 16 . HN parsed_1nnv 1
39 1 2 . . . . . . . . . 12 . O parsed_1nnv 1
40 1 1 . . . . . . . . . 18 . N parsed_1nnv 1
40 1 2 . . . . . . . . . 14 . O parsed_1nnv 1
41 1 1 . . . . . . . . . 18 . HN parsed_1nnv 1
41 1 2 . . . . . . . . . 14 . O parsed_1nnv 1
42 1 1 . . . . . . . . . 19 . N parsed_1nnv 1
42 1 2 . . . . . . . . . 15 . O parsed_1nnv 1
43 1 1 . . . . . . . . . 19 . HN parsed_1nnv 1
43 1 2 . . . . . . . . . 15 . O parsed_1nnv 1
44 1 1 . . . . . . . . . 20 . N parsed_1nnv 1
44 1 2 . . . . . . . . . 16 . O parsed_1nnv 1
45 1 1 . . . . . . . . . 20 . HN parsed_1nnv 1
45 1 2 . . . . . . . . . 16 . O parsed_1nnv 1
46 1 1 . . . . . . . . . 21 . N parsed_1nnv 1
46 1 2 . . . . . . . . . 17 . O parsed_1nnv 1
47 1 1 . . . . . . . . . 21 . HN parsed_1nnv 1
47 1 2 . . . . . . . . . 17 . O parsed_1nnv 1
48 1 1 . . . . . . . . . 22 . N parsed_1nnv 1
48 1 2 . . . . . . . . . 18 . O parsed_1nnv 1
49 1 1 . . . . . . . . . 22 . HN parsed_1nnv 1
49 1 2 . . . . . . . . . 18 . O parsed_1nnv 1
50 1 1 . . . . . . . . . 23 . N parsed_1nnv 1
50 1 2 . . . . . . . . . 19 . O parsed_1nnv 1
51 1 1 . . . . . . . . . 23 . HN parsed_1nnv 1
51 1 2 . . . . . . . . . 19 . O parsed_1nnv 1
52 1 1 . . . . . . . . . 24 . N parsed_1nnv 1
52 1 2 . . . . . . . . . 20 . O parsed_1nnv 1
53 1 1 . . . . . . . . . 24 . HN parsed_1nnv 1
53 1 2 . . . . . . . . . 20 . O parsed_1nnv 1
54 1 1 . . . . . . . . . 25 . N parsed_1nnv 1
54 1 2 . . . . . . . . . 21 . O parsed_1nnv 1
55 1 1 . . . . . . . . . 25 . HN parsed_1nnv 1
55 1 2 . . . . . . . . . 21 . O parsed_1nnv 1
56 1 1 . . . . . . . . . 36 . N parsed_1nnv 1
56 1 2 . . . . . . . . . 32 . O parsed_1nnv 1
57 1 1 . . . . . . . . . 36 . HN parsed_1nnv 1
57 1 2 . . . . . . . . . 32 . O parsed_1nnv 1
58 1 1 . . . . . . . . . 37 . N parsed_1nnv 1
58 1 2 . . . . . . . . . 33 . O parsed_1nnv 1
59 1 1 . . . . . . . . . 37 . HN parsed_1nnv 1
59 1 2 . . . . . . . . . 33 . O parsed_1nnv 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 2.3 3.2 parsed_1nnv 1
2 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
3 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
4 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
5 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
6 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
7 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
8 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
9 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
10 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
11 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
12 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
13 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
14 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
15 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
16 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
17 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
18 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
19 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
20 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
21 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
22 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
23 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
24 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
25 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
26 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
27 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
28 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
29 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
30 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
31 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
32 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
33 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
34 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
35 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
36 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
37 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
38 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
39 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
40 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
41 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
42 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
43 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
44 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
45 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
46 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
47 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
48 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
49 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
50 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
51 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
52 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
53 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
54 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
55 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
56 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
57 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 1
58 1 . . . . . 3.0 2.3 3.2 parsed_1nnv 1
59 1 . . . . . 2.0 1.5 2.5 parsed_1nnv 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
;
TURN!!!
68-66 reverse gamma turn 68 may not b xchangd (overlap)
;
1 1 2 57 parsed_1nnv 1
2
;
!Strands
48-73
;
5 1 6 7 parsed_1nnv 1
3 "50-71...50O-71HN were 3A in structure, but 71HN is not xchanged" 11 1 11 65 parsed_1nnv 1
4 "70-92..70O-92HN=2.776 70HN-92O=2.358" 15 1 15 39 parsed_1nnv 1
5 "72-90..72HN-90O 1.72 72O-90HN 2.19" 20 1 20 37 parsed_1nnv 1
6 "74-88..74HN-88O 2.785 74O-88HN 2.645" 25 1 25 39 parsed_1nnv 1
7 "76-85..these atoms were consistantly close and 76 is protected" 30 1 30 64 parsed_1nnv 1
8 89-104..89HN-104O 33 1 33 20 parsed_1nnv 1
9 "91-102..91HN-102O 2.459 91O-102HN 2.549" 38 1 38 42 parsed_1nnv 1
10 "93-100..100 xchanged quickly" 43 1 43 30 parsed_1nnv 1
11 "helix 1" 46 1 46 9 parsed_1nnv 1
12 "helix 2" 70 1 70 9 parsed_1nnv 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 4:35:18 AM GMT (wattos1)