NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
580136 |
4ch0   |
19652 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 50 |
data_4ch0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_4ch0
_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_4ch0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_4ch0
_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 4ch0 "Master copy" parsed_4ch0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_4ch0
_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 4ch0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_4ch0 1
1 4ch0.mr . . XPLOR/CNS 2 distance NOE ambi 3478 parsed_4ch0 1
1 4ch0.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 50 parsed_4ch0 1
1 4ch0.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_4ch0 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_4ch0
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_4ch0 1
2 1 . . . parsed_4ch0 1
3 1 . . . parsed_4ch0 1
4 1 . . . parsed_4ch0 1
5 1 . . . parsed_4ch0 1
6 1 . . . parsed_4ch0 1
7 1 . . . parsed_4ch0 1
8 1 . . . parsed_4ch0 1
9 1 . . . parsed_4ch0 1
10 1 . . . parsed_4ch0 1
11 1 . . . parsed_4ch0 1
12 1 . . . parsed_4ch0 1
13 1 . . . parsed_4ch0 1
14 1 . . . parsed_4ch0 1
15 1 . . . parsed_4ch0 1
16 1 . . . parsed_4ch0 1
17 1 . . . parsed_4ch0 1
18 1 . . . parsed_4ch0 1
19 1 . . . parsed_4ch0 1
20 1 . . . parsed_4ch0 1
21 1 . . . parsed_4ch0 1
22 1 . . . parsed_4ch0 1
23 1 . . . parsed_4ch0 1
24 1 . . . parsed_4ch0 1
25 1 . . . parsed_4ch0 1
26 1 . . . parsed_4ch0 1
27 1 . . . parsed_4ch0 1
28 1 . . . parsed_4ch0 1
29 1 . . . parsed_4ch0 1
30 1 . . . parsed_4ch0 1
31 1 . . . parsed_4ch0 1
32 1 . . . parsed_4ch0 1
33 1 . . . parsed_4ch0 1
34 1 . . . parsed_4ch0 1
35 1 . . . parsed_4ch0 1
36 1 . . . parsed_4ch0 1
37 1 . . . parsed_4ch0 1
38 1 . . . parsed_4ch0 1
39 1 . . . parsed_4ch0 1
40 1 . . . parsed_4ch0 1
41 1 . . . parsed_4ch0 1
42 1 . . . parsed_4ch0 1
43 1 . . . parsed_4ch0 1
44 1 . . . parsed_4ch0 1
45 1 . . . parsed_4ch0 1
46 1 . . . parsed_4ch0 1
47 1 . . . parsed_4ch0 1
48 1 . . . parsed_4ch0 1
49 1 . . . parsed_4ch0 1
50 1 . . . parsed_4ch0 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 . . . . . . . . . 81 . O parsed_4ch0 1
1 1 2 . . . . . . . . . 37 . N parsed_4ch0 1
2 1 1 . . . . . . . . . 81 . O parsed_4ch0 1
2 1 2 . . . . . . . . . 37 . HN parsed_4ch0 1
3 1 1 . . . . . . . . . 108 . O parsed_4ch0 1
3 1 2 . . . . . . . . . 38 . N parsed_4ch0 1
4 1 1 . . . . . . . . . 108 . O parsed_4ch0 1
4 1 2 . . . . . . . . . 38 . HN parsed_4ch0 1
5 1 1 . . . . . . . . . 79 . O parsed_4ch0 1
5 1 2 . . . . . . . . . 39 . N parsed_4ch0 1
6 1 1 . . . . . . . . . 79 . O parsed_4ch0 1
6 1 2 . . . . . . . . . 39 . HN parsed_4ch0 1
7 1 1 . . . . . . . . . 106 . O parsed_4ch0 1
7 1 2 . . . . . . . . . 40 . N parsed_4ch0 1
8 1 1 . . . . . . . . . 106 . O parsed_4ch0 1
8 1 2 . . . . . . . . . 40 . HN parsed_4ch0 1
9 1 1 . . . . . . . . . 47 . O parsed_4ch0 1
9 1 2 . . . . . . . . . 51 . N parsed_4ch0 1
10 1 1 . . . . . . . . . 47 . O parsed_4ch0 1
10 1 2 . . . . . . . . . 51 . HN parsed_4ch0 1
11 1 1 . . . . . . . . . 48 . O parsed_4ch0 1
11 1 2 . . . . . . . . . 52 . N parsed_4ch0 1
12 1 1 . . . . . . . . . 48 . O parsed_4ch0 1
12 1 2 . . . . . . . . . 52 . HN parsed_4ch0 1
13 1 1 . . . . . . . . . 49 . O parsed_4ch0 1
13 1 2 . . . . . . . . . 53 . N parsed_4ch0 1
14 1 1 . . . . . . . . . 49 . O parsed_4ch0 1
14 1 2 . . . . . . . . . 53 . HN parsed_4ch0 1
15 1 1 . . . . . . . . . 50 . O parsed_4ch0 1
15 1 2 . . . . . . . . . 54 . N parsed_4ch0 1
16 1 1 . . . . . . . . . 50 . O parsed_4ch0 1
16 1 2 . . . . . . . . . 54 . HN parsed_4ch0 1
17 1 1 . . . . . . . . . 51 . O parsed_4ch0 1
17 1 2 . . . . . . . . . 55 . N parsed_4ch0 1
18 1 1 . . . . . . . . . 51 . O parsed_4ch0 1
18 1 2 . . . . . . . . . 55 . HN parsed_4ch0 1
19 1 1 . . . . . . . . . 52 . O parsed_4ch0 1
19 1 2 . . . . . . . . . 56 . N parsed_4ch0 1
20 1 1 . . . . . . . . . 52 . O parsed_4ch0 1
20 1 2 . . . . . . . . . 56 . HN parsed_4ch0 1
21 1 1 . . . . . . . . . 82 . O parsed_4ch0 1
21 1 2 . . . . . . . . . 63 . N parsed_4ch0 1
22 1 1 . . . . . . . . . 82 . O parsed_4ch0 1
22 1 2 . . . . . . . . . 63 . HN parsed_4ch0 1
23 1 1 . . . . . . . . . 80 . O parsed_4ch0 1
23 1 2 . . . . . . . . . 65 . N parsed_4ch0 1
24 1 1 . . . . . . . . . 80 . O parsed_4ch0 1
24 1 2 . . . . . . . . . 65 . HN parsed_4ch0 1
25 1 1 . . . . . . . . . 39 . O parsed_4ch0 1
25 1 2 . . . . . . . . . 79 . N parsed_4ch0 1
26 1 1 . . . . . . . . . 39 . O parsed_4ch0 1
26 1 2 . . . . . . . . . 79 . HN parsed_4ch0 1
27 1 1 . . . . . . . . . 65 . O parsed_4ch0 1
27 1 2 . . . . . . . . . 80 . N parsed_4ch0 1
28 1 1 . . . . . . . . . 65 . O parsed_4ch0 1
28 1 2 . . . . . . . . . 80 . HN parsed_4ch0 1
29 1 1 . . . . . . . . . 37 . O parsed_4ch0 1
29 1 2 . . . . . . . . . 81 . N parsed_4ch0 1
30 1 1 . . . . . . . . . 37 . O parsed_4ch0 1
30 1 2 . . . . . . . . . 81 . HN parsed_4ch0 1
31 1 1 . . . . . . . . . 63 . O parsed_4ch0 1
31 1 2 . . . . . . . . . 82 . N parsed_4ch0 1
32 1 1 . . . . . . . . . 63 . O parsed_4ch0 1
32 1 2 . . . . . . . . . 82 . HN parsed_4ch0 1
33 1 1 . . . . . . . . . 85 . O parsed_4ch0 1
33 1 2 . . . . . . . . . 89 . N parsed_4ch0 1
34 1 1 . . . . . . . . . 85 . O parsed_4ch0 1
34 1 2 . . . . . . . . . 89 . HN parsed_4ch0 1
35 1 1 . . . . . . . . . 86 . O parsed_4ch0 1
35 1 2 . . . . . . . . . 90 . N parsed_4ch0 1
36 1 1 . . . . . . . . . 86 . O parsed_4ch0 1
36 1 2 . . . . . . . . . 90 . HN parsed_4ch0 1
37 1 1 . . . . . . . . . 87 . O parsed_4ch0 1
37 1 2 . . . . . . . . . 91 . N parsed_4ch0 1
38 1 1 . . . . . . . . . 87 . O parsed_4ch0 1
38 1 2 . . . . . . . . . 91 . HN parsed_4ch0 1
39 1 1 . . . . . . . . . 88 . O parsed_4ch0 1
39 1 2 . . . . . . . . . 92 . N parsed_4ch0 1
40 1 1 . . . . . . . . . 88 . O parsed_4ch0 1
40 1 2 . . . . . . . . . 92 . HN parsed_4ch0 1
41 1 1 . . . . . . . . . 89 . O parsed_4ch0 1
41 1 2 . . . . . . . . . 93 . N parsed_4ch0 1
42 1 1 . . . . . . . . . 89 . O parsed_4ch0 1
42 1 2 . . . . . . . . . 93 . HN parsed_4ch0 1
43 1 1 . . . . . . . . . 90 . O parsed_4ch0 1
43 1 2 . . . . . . . . . 94 . N parsed_4ch0 1
44 1 1 . . . . . . . . . 90 . O parsed_4ch0 1
44 1 2 . . . . . . . . . 94 . HN parsed_4ch0 1
45 1 1 . . . . . . . . . 103 . O parsed_4ch0 1
45 1 2 . . . . . . . . . 100 . N parsed_4ch0 1
46 1 1 . . . . . . . . . 103 . O parsed_4ch0 1
46 1 2 . . . . . . . . . 100 . HN parsed_4ch0 1
47 1 1 . . . . . . . . . 100 . O parsed_4ch0 1
47 1 2 . . . . . . . . . 103 . N parsed_4ch0 1
48 1 1 . . . . . . . . . 100 . O parsed_4ch0 1
48 1 2 . . . . . . . . . 103 . HN parsed_4ch0 1
49 1 1 . . . . . . . . . 98 . O parsed_4ch0 1
49 1 2 . . . . . . . . . 105 . N parsed_4ch0 1
50 1 1 . . . . . . . . . 98 . O parsed_4ch0 1
50 1 2 . . . . . . . . . 105 . HN parsed_4ch0 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 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
2 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
3 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
4 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
5 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
6 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
7 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
8 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
9 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
10 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
11 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
12 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
13 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
14 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
15 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
16 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
17 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
18 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
19 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
20 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
21 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
22 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
23 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
24 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
25 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
26 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
27 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
28 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
29 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
30 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
31 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
32 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
33 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
34 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
35 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
36 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
37 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
38 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
39 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
40 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
41 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
42 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
43 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
44 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
45 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
46 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
47 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
48 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 1
49 1 . . . . . 2.74 2.74 3.24 parsed_4ch0 1
50 1 . . . . . 1.79 1.79 2.29 parsed_4ch0 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
;
Hydrogen bond restraints
!beta-1
;
1 1 3 9 parsed_4ch0 1
2 !alpha-1 12 1 12 10 parsed_4ch0 1
3
;
assign ( residue 53 and name O ) ( residue 57 and name N ) 2.74 0.0 0.5
assign ( residue 53 and name O ) ( residue 57 and name HN ) 1.79 0.0 0.5
assign ( residue 54 and name O ) ( residue 58 and name N ) 2.74 0.0 0.5
assign ( residue 54 and name O ) ( residue 58 and name HN ) 1.79 0.0 0.5
!beta-2
;
25 1 29 9 parsed_4ch0 1
4 !beta-3 34 1 34 9 parsed_4ch0 1
5 !alpha-2 43 1 43 10 parsed_4ch0 1
6 !beta-4 56 1 56 9 parsed_4ch0 1
stop_
save_
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