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 |
|
|
29926 |
1bla   |
4091 | cing | recoord | 2-parsed | STAR | distance | NOE | simple | 64 |
data_1bla_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bla
_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_1bla 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bla
_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 1bla "Master copy" parsed_1bla
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bla
_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 1bla.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bla 1
1 1bla.mr . . XPLOR/CNS 2 distance NOE simple 2422 parsed_1bla 1
1 1bla.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 50 parsed_1bla 1
1 1bla.mr . . XPLOR/CNS 4 distance NOE simple 64 parsed_1bla 1
1 1bla.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1bla 1
1 1bla.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1bla 1
1 1bla.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1bla 1
1 1bla.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bla 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1bla
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_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_1bla 1
2 1 . . . parsed_1bla 1
3 1 . . . parsed_1bla 1
4 1 . . . parsed_1bla 1
5 1 . . . parsed_1bla 1
6 1 . . . parsed_1bla 1
7 1 . . . parsed_1bla 1
8 1 . . . parsed_1bla 1
9 1 . . . parsed_1bla 1
10 1 . . . parsed_1bla 1
11 1 . . . parsed_1bla 1
12 1 . . . parsed_1bla 1
13 1 . . . parsed_1bla 1
14 1 . . . parsed_1bla 1
15 1 . . . parsed_1bla 1
16 1 . . . parsed_1bla 1
17 1 . . . parsed_1bla 1
18 1 . . . parsed_1bla 1
19 1 . . . parsed_1bla 1
20 1 . . . parsed_1bla 1
21 1 . . . parsed_1bla 1
22 1 . . . parsed_1bla 1
23 1 . . . parsed_1bla 1
24 1 . . . parsed_1bla 1
25 1 . . . parsed_1bla 1
26 1 . . . parsed_1bla 1
27 1 . . . parsed_1bla 1
28 1 . . . parsed_1bla 1
29 1 . . . parsed_1bla 1
30 1 . . . parsed_1bla 1
31 1 . . . parsed_1bla 1
32 1 . . . parsed_1bla 1
33 1 . . . parsed_1bla 1
34 1 . . . parsed_1bla 1
35 1 . . . parsed_1bla 1
36 1 . . . parsed_1bla 1
37 1 . . . parsed_1bla 1
38 1 . . . parsed_1bla 1
39 1 . . . parsed_1bla 1
40 1 . . . parsed_1bla 1
41 1 . . . parsed_1bla 1
42 1 . . . parsed_1bla 1
43 1 . . . parsed_1bla 1
44 1 . . . parsed_1bla 1
45 1 . . . parsed_1bla 1
46 1 . . . parsed_1bla 1
47 1 . . . parsed_1bla 1
48 1 . . . parsed_1bla 1
49 1 . . . parsed_1bla 1
50 1 . . . parsed_1bla 1
51 1 . . . parsed_1bla 1
52 1 . . . parsed_1bla 1
53 1 . . . parsed_1bla 1
54 1 . . . parsed_1bla 1
55 1 . . . parsed_1bla 1
56 1 . . . parsed_1bla 1
57 1 . . . parsed_1bla 1
58 1 . . . parsed_1bla 1
59 1 . . . parsed_1bla 1
60 1 . . . parsed_1bla 1
61 1 . . . parsed_1bla 1
62 1 . . . parsed_1bla 1
63 1 . . . parsed_1bla 1
64 1 . . . parsed_1bla 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 . . . . . . . . . 30 . HA parsed_1bla 1
1 1 2 . . . . . . . . . 152 . HA parsed_1bla 1
2 1 1 . . . . . . . . . 31 . HN parsed_1bla 1
2 1 2 . . . . . . . . . 151 . HN parsed_1bla 1
3 1 1 . . . . . . . . . 32 . HA parsed_1bla 1
3 1 2 . . . . . . . . . 151 . HN parsed_1bla 1
4 1 1 . . . . . . . . . 32 . HA parsed_1bla 1
4 1 2 . . . . . . . . . 150 . HA parsed_1bla 1
5 1 1 . . . . . . . . . 33 . HN parsed_1bla 1
5 1 2 . . . . . . . . . 150 . HA parsed_1bla 1
6 1 1 . . . . . . . . . 33 . HN parsed_1bla 1
6 1 2 . . . . . . . . . 149 . HN parsed_1bla 1
7 1 1 . . . . . . . . . 34 . HA parsed_1bla 1
7 1 2 . . . . . . . . . 149 . HN parsed_1bla 1
8 1 1 . . . . . . . . . 34 . HA parsed_1bla 1
8 1 2 . . . . . . . . . 148 . HA parsed_1bla 1
9 1 1 . . . . . . . . . 35 . HN parsed_1bla 1
9 1 2 . . . . . . . . . 148 . HA parsed_1bla 1
10 1 1 . . . . . . . . . 39 . HN parsed_1bla 1
10 1 2 . . . . . . . . . 34 . HN parsed_1bla 1
11 1 1 . . . . . . . . . 40 . HA parsed_1bla 1
11 1 2 . . . . . . . . . 34 . HN parsed_1bla 1
12 1 1 . . . . . . . . . 40 . HA parsed_1bla 1
12 1 2 . . . . . . . . . 33 . HA parsed_1bla 1
13 1 1 . . . . . . . . . 41 . HN parsed_1bla 1
13 1 2 . . . . . . . . . 33 . HA parsed_1bla 1
14 1 1 . . . . . . . . . 39 . HA parsed_1bla 1
14 1 2 . . . . . . . . . 53 . HA parsed_1bla 1
15 1 1 . . . . . . . . . 40 . HN parsed_1bla 1
15 1 2 . . . . . . . . . 53 . HA parsed_1bla 1
16 1 1 . . . . . . . . . 40 . HN parsed_1bla 1
16 1 2 . . . . . . . . . 52 . HN parsed_1bla 1
17 1 1 . . . . . . . . . 39 . HA parsed_1bla 1
17 1 2 . . . . . . . . . 52 . HN parsed_1bla 1
18 1 1 . . . . . . . . . 41 . HA parsed_1bla 1
18 1 2 . . . . . . . . . 51 . HA1 parsed_1bla 1
19 1 1 . . . . . . . . . 42 . HN parsed_1bla 1
19 1 2 . . . . . . . . . 51 . HA1 parsed_1bla 1
20 1 1 . . . . . . . . . 42 . HN parsed_1bla 1
20 1 2 . . . . . . . . . 51 . HA2 parsed_1bla 1
21 1 1 . . . . . . . . . 42 . HN parsed_1bla 1
21 1 2 . . . . . . . . . 50 . HN parsed_1bla 1
22 1 1 . . . . . . . . . 43 . HA parsed_1bla 1
22 1 2 . . . . . . . . . 50 . HN parsed_1bla 1
23 1 1 . . . . . . . . . 43 . HA parsed_1bla 1
23 1 2 . . . . . . . . . 49 . HA parsed_1bla 1
24 1 1 . . . . . . . . . 44 . HN parsed_1bla 1
24 1 2 . . . . . . . . . 49 . HA parsed_1bla 1
25 1 1 . . . . . . . . . 44 . HN parsed_1bla 1
25 1 2 . . . . . . . . . 48 . HN parsed_1bla 1
26 1 1 . . . . . . . . . 62 . HA parsed_1bla 1
26 1 2 . . . . . . . . . 77 . HN parsed_1bla 1
27 1 1 . . . . . . . . . 62 . HA parsed_1bla 1
27 1 2 . . . . . . . . . 76 . HA# parsed_1bla 1
28 1 1 . . . . . . . . . 63 . HN parsed_1bla 1
28 1 2 . . . . . . . . . 75 . HN parsed_1bla 1
29 1 1 . . . . . . . . . 64 . HA parsed_1bla 1
29 1 2 . . . . . . . . . 75 . HN parsed_1bla 1
30 1 1 . . . . . . . . . 64 . HA parsed_1bla 1
30 1 2 . . . . . . . . . 74 . HA parsed_1bla 1
31 1 1 . . . . . . . . . 65 . HN parsed_1bla 1
31 1 2 . . . . . . . . . 74 . HA parsed_1bla 1
32 1 1 . . . . . . . . . 65 . HN parsed_1bla 1
32 1 2 . . . . . . . . . 73 . HN parsed_1bla 1
33 1 1 . . . . . . . . . 65 . HN parsed_1bla 1
33 1 2 . . . . . . . . . 72 . HA parsed_1bla 1
34 1 1 . . . . . . . . . 66 . HA parsed_1bla 1
34 1 2 . . . . . . . . . 73 . HN parsed_1bla 1
35 1 1 . . . . . . . . . 66 . HA parsed_1bla 1
35 1 2 . . . . . . . . . 72 . HA parsed_1bla 1
36 1 1 . . . . . . . . . 67 . HN parsed_1bla 1
36 1 2 . . . . . . . . . 72 . HA parsed_1bla 1
37 1 1 . . . . . . . . . 76 . HN parsed_1bla 1
37 1 2 . . . . . . . . . 81 . HN parsed_1bla 1
38 1 1 . . . . . . . . . 76 . HN parsed_1bla 1
38 1 2 . . . . . . . . . 82 . HA parsed_1bla 1
39 1 1 . . . . . . . . . 75 . HA parsed_1bla 1
39 1 2 . . . . . . . . . 82 . HA parsed_1bla 1
40 1 1 . . . . . . . . . 75 . HA parsed_1bla 1
40 1 2 . . . . . . . . . 83 . HN parsed_1bla 1
41 1 1 . . . . . . . . . 81 . HA parsed_1bla 1
41 1 2 . . . . . . . . . 95 . HA parsed_1bla 1
42 1 1 . . . . . . . . . 82 . HN parsed_1bla 1
42 1 2 . . . . . . . . . 95 . HA parsed_1bla 1
43 1 1 . . . . . . . . . 82 . HN parsed_1bla 1
43 1 2 . . . . . . . . . 94 . HN parsed_1bla 1
44 1 1 . . . . . . . . . 83 . HA parsed_1bla 1
44 1 2 . . . . . . . . . 94 . HN parsed_1bla 1
45 1 1 . . . . . . . . . 83 . HA parsed_1bla 1
45 1 2 . . . . . . . . . 93 . HA parsed_1bla 1
46 1 1 . . . . . . . . . 84 . HN parsed_1bla 1
46 1 2 . . . . . . . . . 93 . HA parsed_1bla 1
47 1 1 . . . . . . . . . 84 . HN parsed_1bla 1
47 1 2 . . . . . . . . . 92 . HN parsed_1bla 1
48 1 1 . . . . . . . . . 85 . HA parsed_1bla 1
48 1 2 . . . . . . . . . 92 . HN parsed_1bla 1
49 1 1 . . . . . . . . . 86 . HN parsed_1bla 1
49 1 2 . . . . . . . . . 92 . HN parsed_1bla 1
50 1 1 . . . . . . . . . 85 . HA parsed_1bla 1
50 1 2 . . . . . . . . . 91 . HA parsed_1bla 1
51 1 1 . . . . . . . . . 86 . HN parsed_1bla 1
51 1 2 . . . . . . . . . 91 . HA parsed_1bla 1
52 1 1 . . . . . . . . . 103 . HA parsed_1bla 1
52 1 2 . . . . . . . . . 117 . HA parsed_1bla 1
53 1 1 . . . . . . . . . 103 . HA parsed_1bla 1
53 1 2 . . . . . . . . . 118 . HN parsed_1bla 1
54 1 1 . . . . . . . . . 104 . HN parsed_1bla 1
54 1 2 . . . . . . . . . 117 . HA parsed_1bla 1
55 1 1 . . . . . . . . . 104 . HN parsed_1bla 1
55 1 2 . . . . . . . . . 116 . HN parsed_1bla 1
56 1 1 . . . . . . . . . 105 . HA parsed_1bla 1
56 1 2 . . . . . . . . . 115 . HA parsed_1bla 1
57 1 1 . . . . . . . . . 106 . HN parsed_1bla 1
57 1 2 . . . . . . . . . 114 . HN parsed_1bla 1
58 1 1 . . . . . . . . . 107 . HA parsed_1bla 1
58 1 2 . . . . . . . . . 114 . HN parsed_1bla 1
59 1 1 . . . . . . . . . 107 . HA parsed_1bla 1
59 1 2 . . . . . . . . . 113 . HA parsed_1bla 1
60 1 1 . . . . . . . . . 108 . HN parsed_1bla 1
60 1 2 . . . . . . . . . 113 . HA parsed_1bla 1
61 1 1 . . . . . . . . . 117 . HN parsed_1bla 1
61 1 2 . . . . . . . . . 123 . HN parsed_1bla 1
62 1 1 . . . . . . . . . 117 . HN parsed_1bla 1
62 1 2 . . . . . . . . . 124 . HA parsed_1bla 1
63 1 1 . . . . . . . . . 116 . HA parsed_1bla 1
63 1 2 . . . . . . . . . 124 . HA parsed_1bla 1
64 1 1 . . . . . . . . . 116 . HA parsed_1bla 1
64 1 2 . . . . . . . . . 125 . HN parsed_1bla 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 . . . . . 2.5 1.8 2.7 parsed_1bla 1
2 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
3 1 . . . . . 4.0 1.8 5.0 parsed_1bla 1
4 1 . . . . . 2.5 1.8 2.7 parsed_1bla 1
5 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
6 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
7 1 . . . . . 4.0 1.8 5.0 parsed_1bla 1
8 1 . . . . . 2.5 1.8 2.7 parsed_1bla 1
9 1 . . . . . 3.3 2.7 3.5 parsed_1bla 1
10 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
11 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
12 1 . . . . . 2.5 1.8 2.7 parsed_1bla 1
13 1 . . . . . 4.0 1.8 5.0 parsed_1bla 1
14 1 . . . . . 3.0 1.8 3.3 parsed_1bla 1
15 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
16 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
17 1 . . . . . 4.0 1.8 5.0 parsed_1bla 1
18 1 . . . . . 2.5 0.8 3.7 parsed_1bla 1
19 1 . . . . . 3.3 1.5 4.5 parsed_1bla 1
20 1 . . . . . 3.3 1.5 4.5 parsed_1bla 1
21 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
22 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
23 1 . . . . . 2.5 1.8 2.7 parsed_1bla 1
24 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
25 1 . . . . . 4.0 1.8 5.0 parsed_1bla 1
26 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
27 1 . . . . . 2.5 0.8 3.7 parsed_1bla 1
28 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
29 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
30 1 . . . . . 2.5 1.8 2.7 parsed_1bla 1
31 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
32 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
33 1 . . . . . 4.0 1.8 5.0 parsed_1bla 1
34 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
35 1 . . . . . 2.5 1.8 2.7 parsed_1bla 1
36 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
37 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
38 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
39 1 . . . . . 2.5 1.8 2.7 parsed_1bla 1
40 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
41 1 . . . . . 2.5 1.8 2.7 parsed_1bla 1
42 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
43 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
44 1 . . . . . 4.0 1.8 5.0 parsed_1bla 1
45 1 . . . . . 2.5 1.8 2.7 parsed_1bla 1
46 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
47 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
48 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
49 1 . . . . . 4.0 1.8 5.0 parsed_1bla 1
50 1 . . . . . 2.5 1.8 2.7 parsed_1bla 1
51 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
52 1 . . . . . 3.0 1.8 3.3 parsed_1bla 1
53 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
54 1 . . . . . 4.0 1.8 5.0 parsed_1bla 1
55 1 . . . . . 4.0 1.8 5.0 parsed_1bla 1
56 1 . . . . . 2.5 1.8 2.7 parsed_1bla 1
57 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
58 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
59 1 . . . . . 2.5 1.8 2.7 parsed_1bla 1
60 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
61 1 . . . . . 4.0 1.8 5.0 parsed_1bla 1
62 1 . . . . . 3.3 2.5 3.5 parsed_1bla 1
63 1 . . . . . 2.5 1.8 2.7 parsed_1bla 1
64 1 . . . . . 3.3 2.7 3.5 parsed_1bla 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 "BETA SHEET CONSTRAINTS" 1 1 1 24 parsed_1bla 1
2 "Very Weak NOE" 4 1 4 16 parsed_1bla 1
3 "34 is at end of strand" 9 1 9 25 parsed_1bla 1
4 "Overlap peak" 16 1 16 15 parsed_1bla 1
5 "53,39 At end of strand" 18 1 18 25 parsed_1bla 1
6 "Not standard NOE across H-bond very weak" 22 1 22 42 parsed_1bla 1
7 "Both 44 and 48 are at end of strand before turn" 31 1 31 50 parsed_1bla 1
8 "Very weak and unusual NOE" 40 1 40 27 parsed_1bla 1
9
;
assign (resid 74 and name hn) (resid 84 and name ha) 3.3 0.8 0.2
assign (resid 73 and name ha) (resid 84 and name ha) 2.5 0.7 0.2
;
49 1 50 66 parsed_1bla 1
10 "83 HA to 94 HN NOE very weak" 54 1 54 31 parsed_1bla 1
11 "86 HN to 92 HN unusual NOE across H-bond" 60 1 60 43 parsed_1bla 1
12 "103 at end of strand" 64 1 64 23 parsed_1bla 1
13 "End of Beta sheet" 67 1 67 20 parsed_1bla 1
14 "Weak NOE" 69 1 69 11 parsed_1bla 1
15 "Weird NOE only one way" 76 1 76 24 parsed_1bla 1
16
;
assign (resid 115 and name hn) (resid 126 and name ha) 3.3 0.8 0.2
assign (resid 114 and name ha) (resid 126 and name ha) 2.5 0.7 0.2
;
81 1 82 68 parsed_1bla 1
stop_
save_
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