NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
29866 |
1bhi   |
4216 | cing | 2-parsed | STAR | distance | NOE | simple | 41 |
data_1bhi_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bhi
_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_1bhi 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bhi
_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 1bhi "Master copy" parsed_1bhi
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bhi
_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 1bhi.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bhi 1
1 1bhi.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1bhi 1
1 1bhi.mr . . EMBOSS 3 distance NOE simple 383 parsed_1bhi 1
1 1bhi.mr . . EMBOSS 4 distance "hydrogen bond" simple 5 parsed_1bhi 1
1 1bhi.mr . . EMBOSS 5 distance NOE simple 41 parsed_1bhi 1
1 1bhi.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1bhi 1
1 1bhi.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bhi 1
stop_
save_
save_Emboss_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1bhi
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_1bhi 1
2 1 . . . parsed_1bhi 1
3 1 . . . parsed_1bhi 1
4 1 . . . parsed_1bhi 1
5 1 . . . parsed_1bhi 1
6 1 . . . parsed_1bhi 1
7 1 . . . parsed_1bhi 1
8 1 . . . parsed_1bhi 1
9 1 . . . parsed_1bhi 1
10 1 . . . parsed_1bhi 1
11 1 . . . parsed_1bhi 1
12 1 . . . parsed_1bhi 1
13 1 . . . parsed_1bhi 1
14 1 . . . parsed_1bhi 1
15 1 . . . parsed_1bhi 1
16 1 . . . parsed_1bhi 1
17 1 . . . parsed_1bhi 1
18 1 . . . parsed_1bhi 1
19 1 . . . parsed_1bhi 1
20 1 . . . parsed_1bhi 1
21 1 . . . parsed_1bhi 1
22 1 . . . parsed_1bhi 1
23 1 . . . parsed_1bhi 1
24 1 . . . parsed_1bhi 1
25 1 . . . parsed_1bhi 1
26 1 . . . parsed_1bhi 1
27 1 . . . parsed_1bhi 1
28 1 . . . parsed_1bhi 1
29 1 . . . parsed_1bhi 1
30 1 . . . parsed_1bhi 1
31 1 . . . parsed_1bhi 1
32 1 . . . parsed_1bhi 1
33 1 . . . parsed_1bhi 1
34 1 . . . parsed_1bhi 1
35 1 . . . parsed_1bhi 1
36 1 . . . parsed_1bhi 1
37 1 . . . parsed_1bhi 1
38 1 . . . parsed_1bhi 1
39 1 . . . parsed_1bhi 1
40 1 . . . parsed_1bhi 1
41 1 . . . parsed_1bhi 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 8 LEU HN parsed_1bhi 1
1 1 2 . . . . . . . . 1 8 LEU HB1 parsed_1bhi 1
2 1 1 . . . . . . . . 1 8 LEU HN parsed_1bhi 1
2 1 2 . . . . . . . . 1 8 LEU HB2 parsed_1bhi 1
3 1 1 . . . . . . . . 1 9 CYS HN parsed_1bhi 1
3 1 2 . . . . . . . . 1 9 CYS HB1 parsed_1bhi 1
4 1 1 . . . . . . . . 1 9 CYS HN parsed_1bhi 1
4 1 2 . . . . . . . . 1 9 CYS HB2 parsed_1bhi 1
5 1 1 . . . . . . . . 1 9 CYS HA parsed_1bhi 1
5 1 2 . . . . . . . . 1 9 CYS HB1 parsed_1bhi 1
6 1 1 . . . . . . . . 1 9 CYS HA parsed_1bhi 1
6 1 2 . . . . . . . . 1 9 CYS HB2 parsed_1bhi 1
7 1 1 . . . . . . . . 1 14 CYS HN parsed_1bhi 1
7 1 2 . . . . . . . . 1 14 CYS HB2 parsed_1bhi 1
8 1 1 . . . . . . . . 1 14 CYS HN parsed_1bhi 1
8 1 2 . . . . . . . . 1 14 CYS HB1 parsed_1bhi 1
9 1 1 . . . . . . . . 1 14 CYS HA parsed_1bhi 1
9 1 2 . . . . . . . . 1 14 CYS HB1 parsed_1bhi 1
10 1 1 . . . . . . . . 1 14 CYS HA parsed_1bhi 1
10 1 2 . . . . . . . . 1 14 CYS HB2 parsed_1bhi 1
11 1 1 . . . . . . . . 1 17 ARG+ HN parsed_1bhi 1
11 1 2 . . . . . . . . 1 17 ARG+ HB1 parsed_1bhi 1
12 1 1 . . . . . . . . 1 17 ARG+ HN parsed_1bhi 1
12 1 2 . . . . . . . . 1 17 ARG+ HB2 parsed_1bhi 1
13 1 1 . . . . . . . . 1 17 ARG+ HA parsed_1bhi 1
13 1 2 . . . . . . . . 1 17 ARG+ HB1 parsed_1bhi 1
14 1 1 . . . . . . . . 1 17 ARG+ HA parsed_1bhi 1
14 1 2 . . . . . . . . 1 17 ARG+ HB2 parsed_1bhi 1
15 1 1 . . . . . . . . 1 18 PHE HN parsed_1bhi 1
15 1 2 . . . . . . . . 1 18 PHE HB2 parsed_1bhi 1
16 1 1 . . . . . . . . 1 18 PHE HN parsed_1bhi 1
16 1 2 . . . . . . . . 1 18 PHE HB1 parsed_1bhi 1
17 1 1 . . . . . . . . 1 18 PHE HA parsed_1bhi 1
17 1 2 . . . . . . . . 1 18 PHE HB2 parsed_1bhi 1
18 1 1 . . . . . . . . 1 18 PHE HA parsed_1bhi 1
18 1 2 . . . . . . . . 1 18 PHE HB1 parsed_1bhi 1
19 1 1 . . . . . . . . 1 21 GLU- HN parsed_1bhi 1
19 1 2 . . . . . . . . 1 21 GLU- HB1 parsed_1bhi 1
20 1 1 . . . . . . . . 1 21 GLU- HN parsed_1bhi 1
20 1 2 . . . . . . . . 1 21 GLU- HB2 parsed_1bhi 1
21 1 1 . . . . . . . . 1 21 GLU- HA parsed_1bhi 1
21 1 2 . . . . . . . . 1 21 GLU- HB1 parsed_1bhi 1
22 1 1 . . . . . . . . 1 21 GLU- HA parsed_1bhi 1
22 1 2 . . . . . . . . 1 21 GLU- HB2 parsed_1bhi 1
23 1 1 . . . . . . . . 1 26 VAL HN parsed_1bhi 1
23 1 2 . . . . . . . . 1 26 VAL HG1* parsed_1bhi 1
24 1 1 . . . . . . . . 1 26 VAL HN parsed_1bhi 1
24 1 2 . . . . . . . . 1 26 VAL HG2* parsed_1bhi 1
25 1 1 . . . . . . . . 1 26 VAL HA parsed_1bhi 1
25 1 2 . . . . . . . . 1 26 VAL HG1* parsed_1bhi 1
26 1 1 . . . . . . . . 1 26 VAL HA parsed_1bhi 1
26 1 2 . . . . . . . . 1 26 VAL HG2* parsed_1bhi 1
27 1 1 . . . . . . . . 1 27 HIS HN parsed_1bhi 1
27 1 2 . . . . . . . . 1 27 HIS HB2 parsed_1bhi 1
28 1 1 . . . . . . . . 1 27 HIS HN parsed_1bhi 1
28 1 2 . . . . . . . . 1 27 HIS HB1 parsed_1bhi 1
29 1 1 . . . . . . . . 1 27 HIS HA parsed_1bhi 1
29 1 2 . . . . . . . . 1 27 HIS HB2 parsed_1bhi 1
30 1 1 . . . . . . . . 1 27 HIS HA parsed_1bhi 1
30 1 2 . . . . . . . . 1 27 HIS HB1 parsed_1bhi 1
31 1 1 . . . . . . . . 1 29 HIS HN parsed_1bhi 1
31 1 2 . . . . . . . . 1 29 HIS HB2 parsed_1bhi 1
32 1 1 . . . . . . . . 1 29 HIS HN parsed_1bhi 1
32 1 2 . . . . . . . . 1 29 HIS HB1 parsed_1bhi 1
33 1 1 . . . . . . . . 1 29 HIS HA parsed_1bhi 1
33 1 2 . . . . . . . . 1 29 HIS HB2 parsed_1bhi 1
34 1 1 . . . . . . . . 1 29 HIS HA parsed_1bhi 1
34 1 2 . . . . . . . . 1 29 HIS HB1 parsed_1bhi 1
35 1 1 . . . . . . . . 1 27 HIS HB2 parsed_1bhi 1
35 1 2 . . . . . . . . 1 28 LYS+ HA parsed_1bhi 1
36 1 1 . . . . . . . . 1 27 HIS HB2 parsed_1bhi 1
36 1 2 . . . . . . . . 1 28 LYS+ HB* parsed_1bhi 1
37 1 1 . . . . . . . . 1 27 HIS HB2 parsed_1bhi 1
37 1 2 . . . . . . . . 1 28 LYS+ HD* parsed_1bhi 1
38 1 1 . . . . . . . . 1 28 LYS+ HA parsed_1bhi 1
38 1 2 . . . . . . . . 1 31 HIS HB1 parsed_1bhi 1
39 1 1 . . . . . . . . 1 23 HIS HA parsed_1bhi 1
39 1 2 . . . . . . . . 1 26 VAL HG1* parsed_1bhi 1
40 1 1 . . . . . . . . 1 23 HIS HA parsed_1bhi 1
40 1 2 . . . . . . . . 1 26 VAL HG2* parsed_1bhi 1
41 1 1 . . . . . . . . 1 23 HIS HA parsed_1bhi 1
41 1 2 . . . . . . . . 1 25 ALA HB* parsed_1bhi 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 . . . . . . -2.0 4.0 parsed_1bhi 1
2 1 . . . . . . -2.0 4.0 parsed_1bhi 1
3 1 . . . . . . -2.0 4.0 parsed_1bhi 1
4 1 . . . . . . -2.0 3.0 parsed_1bhi 1
5 1 . . . . . . -2.0 3.0 parsed_1bhi 1
6 1 . . . . . . -2.0 5.0 parsed_1bhi 1
7 1 . . . . . . -2.0 3.0 parsed_1bhi 1
8 1 . . . . . . -2.0 4.0 parsed_1bhi 1
9 1 . . . . . . -2.0 3.0 parsed_1bhi 1
10 1 . . . . . . -2.0 3.0 parsed_1bhi 1
11 1 . . . . . . -2.0 4.0 parsed_1bhi 1
12 1 . . . . . . -2.0 3.0 parsed_1bhi 1
13 1 . . . . . . -2.0 3.0 parsed_1bhi 1
14 1 . . . . . . -2.0 5.0 parsed_1bhi 1
15 1 . . . . . . -2.0 4.0 parsed_1bhi 1
16 1 . . . . . . -2.0 3.0 parsed_1bhi 1
17 1 . . . . . . -2.0 3.0 parsed_1bhi 1
18 1 . . . . . . -2.0 5.0 parsed_1bhi 1
19 1 . . . . . . -2.0 4.0 parsed_1bhi 1
20 1 . . . . . . -2.0 3.0 parsed_1bhi 1
21 1 . . . . . . -2.0 3.0 parsed_1bhi 1
22 1 . . . . . . -2.0 5.0 parsed_1bhi 1
23 1 . . . . . . -2.0 4.5 parsed_1bhi 1
24 1 . . . . . . -2.0 5.5 parsed_1bhi 1
25 1 . . . . . . -2.0 6.5 parsed_1bhi 1
26 1 . . . . . . -2.0 4.5 parsed_1bhi 1
27 1 . . . . . . -2.0 3.0 parsed_1bhi 1
28 1 . . . . . . -2.0 5.0 parsed_1bhi 1
29 1 . . . . . . -2.0 4.0 parsed_1bhi 1
30 1 . . . . . . -2.0 3.0 parsed_1bhi 1
31 1 . . . . . . -2.0 3.0 parsed_1bhi 1
32 1 . . . . . . -2.0 4.0 parsed_1bhi 1
33 1 . . . . . . -2.0 5.0 parsed_1bhi 1
34 1 . . . . . . -2.0 3.0 parsed_1bhi 1
35 1 . . . . . . -2.0 5.0 parsed_1bhi 1
36 1 . . . . . . -2.0 6.0 parsed_1bhi 1
37 1 . . . . . . -2.0 6.0 parsed_1bhi 1
38 1 . . . . . . -2.0 5.0 parsed_1bhi 1
39 1 . . . . . . -2.0 5.5 parsed_1bhi 1
40 1 . . . . . . -2.0 6.5 parsed_1bhi 1
41 1 . . . . . . -2.0 5.5 parsed_1bhi 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
;
intra-residues
1 7 PHE HN 1 7 PHE HB1 1.0 1.0 -2.0 4.0 ;2.94
1 7 PHE HN 1 7 PHE HB2 1.0 1.0 -2.0 3.0 ;2.85
;
1 1 3 73 parsed_1bhi 1
2 +1.0 5 73 5 78 parsed_1bhi 1
3 2.82->g2t3 6 68 6 79 parsed_1bhi 1
4 3.30 7 68 7 73 parsed_1bhi 1
5 2.82 8 68 8 73 parsed_1bhi 1
6 3.30 9 68 9 73 parsed_1bhi 1
7 3.13->g2t3 10 68 10 79 parsed_1bhi 1
8 2.75 11 68 11 73 parsed_1bhi 1
9 3.13 12 68 12 73 parsed_1bhi 1
10 2.75 13 68 13 73 parsed_1bhi 1
11 1.79->g2g3 14 68 14 79 parsed_1bhi 1
12 1.35,17.62Hz 15 68 15 81 parsed_1bhi 1
13 1.79 16 68 16 73 parsed_1bhi 1
14 1.35 17 68 17 73 parsed_1bhi 1
15 3.44 18 68 18 73 parsed_1bhi 1
16 2.68,+1.0 19 68 19 78 parsed_1bhi 1
17 1.62->g2t3 22 68 22 79 parsed_1bhi 1
18 1.53 23 68 23 73 parsed_1bhi 1
19 1.04 26 68 26 73 parsed_1bhi 1
20 0.94 27 68 27 73 parsed_1bhi 1
21 3.03->g2t3 30 68 30 79 parsed_1bhi 1
22 2.72 31 68 31 73 parsed_1bhi 1
23 3.20->g2t3 34 68 34 79 parsed_1bhi 1
24 3.28 35 68 35 73 parsed_1bhi 1
25 &&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&& 38 1 38 82 parsed_1bhi 1
26 1.0 40 67 40 71 parsed_1bhi 1
27
;
1.0
1 28 LYS+ HA 1 31 HIS HB* 1.0 1.0 -2.0 6.0 ;1.0
;
41 67 42 71 parsed_1bhi 1
28
;
1 31 HIS HB* 1 14 CYS HB* 1.0 1.0 -2.0 7.0 ;1.0
1 31 HIS HB* 1 14 CYS HB1 1.0 1.0 -2.0 6.0 ;1.0
1 14 CYS HB1 1 31 HIS HA 1.0 1.0 -2.0 4.0
D 1 27 HIS HB1 1 24 LEU HB* 1.0 1.0 -2.0 6.0 ;1.0
D 1 27 HIS HB2 1 24 LEU HD* 1.0 1.0 -2.0 8.9 ;3.9
D 1 27 HIS HB1 1 24 LEU HD* 1.0 1.0 -2.0 8.9 ;3.9
1 23 HIS HA 1 26 VAL HG* 1.0 1.0 -2.0 7.9 ;3.9
;
44 1 50 71 parsed_1bhi 1
29 1.5 51 67 51 71 parsed_1bhi 1
30 1.5 52 67 52 71 parsed_1bhi 1
31
;
1.5
D 1 22 ASP- HB* 1 25 ALA HB* 1.0 1.0 -2.0 8.5 ;1.0,1.5
D 1 22 ASP- HB* 1 26 VAL HG1* 1.0 1.0 -2.0 8.5 ;1.0,1.5
D 1 26 VAL HA 1 25 ALA HB* 1.0 1.0 -2.0 6.5 ;1.5
D 1 25 ALA HA 1 28 LYS+ HB* 1.0 1.0 -2.0 4.0 ;1.0
D 1 25 ALA HA 1 28 LYS+ HD* 1.0 1.0 -2.0 6.0 ;1.0
D 1 25 ALA HA 1 24 LEU HD* 1.0 1.0 -2.0 8.9 ;3.9
1 7 PHE HN 1 26 VAL HG1* 1.0 1.0 -2.0 6.5 ;1.5
1 7 PHE HN 1 26 VAL HB 1.0 1.0 -2.0 5.0
1 7 PHE HN 1 26 VAL HA 1.0 1.0 -2.0 5.0
;
53 67 62 67 parsed_1bhi 1
stop_
save_
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