Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
38032 | 1qpu RC | 4759 | cing | 2-parsed | STAR | entry | full | 41 |
data_1qpu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1qpu
_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_1qpu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1qpu
_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 1qpu "Master copy" parsed_1qpu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1qpu
_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 1qpu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1qpu 1
1 1qpu.mr . . DYANA/DIANA 2 distance NOE simple 5 parsed_1qpu 1
1 1qpu.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1qpu 1
1 1qpu.mr . . unknown 4 "stereospecific assignment" "Not applicable" "Not applicable" 0 parsed_1qpu 1
1 1qpu.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1qpu 1
1 1qpu.mr . . unknown 6 "pseudocontact shift" "Not applicable" "Not applicable" 0 parsed_1qpu 1
1 1qpu.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1qpu 1
1 1qpu.mr . . unknown 8 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1qpu 1
1 1qpu.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1qpu 1
1 1qpu.mr . . DYANA/DIANA 10 distance "hydrogen bond" simple 36 parsed_1qpu 1
1 1qpu.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1qpu 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1qpu
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER ELECTRON TRANSPORT 30-MAY-99 1QPU
*TITLE SOLUTION STRUCTURE OF OXIDIZED ESCHERICHIA COLI CYTOCHROME
*TITLE 2 B562
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: CYTOCHROME B562;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
*SOURCE 3 ORGANISM_COMMON: BACTERIA;
*SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA
*KEYWDS FOUR HELIX BUNDLE, HEMOPROTEIN
*EXPDTA NMR
*AUTHOR F.ARNESANO, L.BANCI, I.BERTINI, J.FARAONE-MENNELLA,
*AUTHOR 2 A.ROSATO, P.D.BARKER, A.R.FERSHT
*REVDAT 1 02-JUN-99 1QPU 0
1D NOE constraints
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1qpu
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_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_1qpu 1
2 1 . . . parsed_1qpu 1
3 1 . . . parsed_1qpu 1
4 1 . . . parsed_1qpu 1
5 1 . . . parsed_1qpu 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 . . . . . . . . . 7 MET HG2 parsed_1qpu 1
1 1 2 . . . . . . . . . 7 MET HN parsed_1qpu 1
2 1 1 . . . . . . . . . 7 MET HG2 parsed_1qpu 1
2 1 2 . . . . . . . . . 6 ASN HN parsed_1qpu 1
3 1 1 . . . . . . . . . 7 MET HG2 parsed_1qpu 1
3 1 2 . . . . . . . . . 3 LEU HG parsed_1qpu 1
4 1 1 . . . . . . . . . 7 MET HG2 parsed_1qpu 1
4 1 2 . . . . . . . . . 40 ALA QB parsed_1qpu 1
5 1 1 . . . . . . . . . 102 HIS HE1 parsed_1qpu 1
5 1 2 . . . . . . . . . 137 LHEM QM8 parsed_1qpu 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 . . . . . . . 5.00 parsed_1qpu 1
2 1 . . . . . . . 5.00 parsed_1qpu 1
3 1 . . . . . . . 5.00 parsed_1qpu 1
4 1 . . . . . . . 5.00 parsed_1qpu 1
5 1 . . . . . . . 5.00 parsed_1qpu 1
stop_
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1qpu
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
Stereospecific assignment for diastereotopic pairs of methylene protons or isopropil methyl groups
;
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1qpu
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
Pseudocontact shift constraints used for PSEUDYANA/PSEUDOREM calculations. The columns have the following meanings:
1. Residue number
2. Proton name
3. Pseudocontact shift (ppm)
4. A value of 2 means that the pseudocontact shifts of that proton and of the following one are averaged; a value of 3 means that the pseudocontact shifts of that proton and of the following two are averaged.
5. Tolerance (ppm)
;
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1qpu
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 7
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
Torsion angle constraints
The columns have the following meanings:
1. Residue number
2. Residue name
3. Minimum value of the allowed range
4. Maximum value of the allowed range
;
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1qpu
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 9
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
Hydrogen Bond derived lower and upper distance constraints (?)
;
save_
save_DYANA/DIANA_distance_constraints_10
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1qpu
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 10
_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_1qpu 2
2 1 . . . parsed_1qpu 2
3 1 . . . parsed_1qpu 2
4 1 . . . parsed_1qpu 2
5 1 . . . parsed_1qpu 2
6 1 . . . parsed_1qpu 2
7 1 . . . parsed_1qpu 2
8 1 . . . parsed_1qpu 2
9 1 . . . parsed_1qpu 2
10 1 . . . parsed_1qpu 2
11 1 . . . parsed_1qpu 2
12 1 . . . parsed_1qpu 2
13 1 . . . parsed_1qpu 2
14 1 . . . parsed_1qpu 2
15 1 . . . parsed_1qpu 2
16 1 . . . parsed_1qpu 2
17 1 . . . parsed_1qpu 2
18 1 . . . parsed_1qpu 2
19 1 . . . parsed_1qpu 2
20 1 . . . parsed_1qpu 2
21 1 . . . parsed_1qpu 2
22 1 . . . parsed_1qpu 2
23 1 . . . parsed_1qpu 2
24 1 . . . parsed_1qpu 2
25 1 . . . parsed_1qpu 2
26 1 . . . parsed_1qpu 2
27 1 . . . parsed_1qpu 2
28 1 . . . parsed_1qpu 2
29 1 . . . parsed_1qpu 2
30 1 . . . parsed_1qpu 2
31 1 . . . parsed_1qpu 2
32 1 . . . parsed_1qpu 2
33 1 . . . parsed_1qpu 2
34 1 . . . parsed_1qpu 2
35 1 . . . parsed_1qpu 2
36 1 . . . parsed_1qpu 2
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 . . . . . . . . . 8 GLU- O parsed_1qpu 2
1 1 2 . . . . . . . . . 12 ASP- N parsed_1qpu 2
2 1 1 . . . . . . . . . 8 GLU- O parsed_1qpu 2
2 1 2 . . . . . . . . . 12 ASP- HN parsed_1qpu 2
3 1 1 . . . . . . . . . 9 THR O parsed_1qpu 2
3 1 2 . . . . . . . . . 13 ASN N parsed_1qpu 2
4 1 1 . . . . . . . . . 9 THR O parsed_1qpu 2
4 1 2 . . . . . . . . . 13 ASN HN parsed_1qpu 2
5 1 1 . . . . . . . . . 11 ASN O parsed_1qpu 2
5 1 2 . . . . . . . . . 15 LYS+ N parsed_1qpu 2
6 1 1 . . . . . . . . . 11 ASN O parsed_1qpu 2
6 1 2 . . . . . . . . . 15 LYS+ HN parsed_1qpu 2
7 1 1 . . . . . . . . . 12 ASP- O parsed_1qpu 2
7 1 2 . . . . . . . . . 16 VAL N parsed_1qpu 2
8 1 1 . . . . . . . . . 12 ASP- O parsed_1qpu 2
8 1 2 . . . . . . . . . 16 VAL HN parsed_1qpu 2
9 1 1 . . . . . . . . . 16 VAL O parsed_1qpu 2
9 1 2 . . . . . . . . . 20 ALA N parsed_1qpu 2
10 1 1 . . . . . . . . . 16 VAL O parsed_1qpu 2
10 1 2 . . . . . . . . . 20 ALA HN parsed_1qpu 2
11 1 1 . . . . . . . . . 22 ASN O parsed_1qpu 2
11 1 2 . . . . . . . . . 26 VAL N parsed_1qpu 2
12 1 1 . . . . . . . . . 22 ASN O parsed_1qpu 2
12 1 2 . . . . . . . . . 26 VAL HN parsed_1qpu 2
13 1 1 . . . . . . . . . 23 ALA O parsed_1qpu 2
13 1 2 . . . . . . . . . 27 LYS+ N parsed_1qpu 2
14 1 1 . . . . . . . . . 23 ALA O parsed_1qpu 2
14 1 2 . . . . . . . . . 27 LYS+ HN parsed_1qpu 2
15 1 1 . . . . . . . . . 25 GLN O parsed_1qpu 2
15 1 2 . . . . . . . . . 29 ALA N parsed_1qpu 2
16 1 1 . . . . . . . . . 25 GLN O parsed_1qpu 2
16 1 2 . . . . . . . . . 29 ALA HN parsed_1qpu 2
17 1 1 . . . . . . . . . 26 VAL O parsed_1qpu 2
17 1 2 . . . . . . . . . 30 LEU N parsed_1qpu 2
18 1 1 . . . . . . . . . 26 VAL O parsed_1qpu 2
18 1 2 . . . . . . . . . 30 LEU HN parsed_1qpu 2
19 1 1 . . . . . . . . . 27 LYS+ O parsed_1qpu 2
19 1 2 . . . . . . . . . 31 THR N parsed_1qpu 2
20 1 1 . . . . . . . . . 27 LYS+ O parsed_1qpu 2
20 1 2 . . . . . . . . . 31 THR HN parsed_1qpu 2
21 1 1 . . . . . . . . . 32 LYS+ O parsed_1qpu 2
21 1 2 . . . . . . . . . 36 ALA N parsed_1qpu 2
22 1 1 . . . . . . . . . 32 LYS+ O parsed_1qpu 2
22 1 2 . . . . . . . . . 36 ALA HN parsed_1qpu 2
23 1 1 . . . . . . . . . 33 MET O parsed_1qpu 2
23 1 2 . . . . . . . . . 37 ALA N parsed_1qpu 2
24 1 1 . . . . . . . . . 33 MET O parsed_1qpu 2
24 1 2 . . . . . . . . . 37 ALA HN parsed_1qpu 2
25 1 1 . . . . . . . . . 36 ALA O parsed_1qpu 2
25 1 2 . . . . . . . . . 40 ALA N parsed_1qpu 2
26 1 1 . . . . . . . . . 36 ALA O parsed_1qpu 2
26 1 2 . . . . . . . . . 40 ALA HN parsed_1qpu 2
27 1 1 . . . . . . . . . 39 ASP- O parsed_1qpu 2
27 1 2 . . . . . . . . . 42 LYS+ N parsed_1qpu 2
28 1 1 . . . . . . . . . 39 ASP- O parsed_1qpu 2
28 1 2 . . . . . . . . . 42 LYS+ HN parsed_1qpu 2
29 1 1 . . . . . . . . . 68 LEU O parsed_1qpu 2
29 1 2 . . . . . . . . . 72 ILE N parsed_1qpu 2
30 1 1 . . . . . . . . . 68 LEU O parsed_1qpu 2
30 1 2 . . . . . . . . . 72 ILE HN parsed_1qpu 2
31 1 1 . . . . . . . . . 86 GLU- O parsed_1qpu 2
31 1 2 . . . . . . . . . 89 ALA N parsed_1qpu 2
32 1 1 . . . . . . . . . 86 GLU- O parsed_1qpu 2
32 1 2 . . . . . . . . . 89 ALA HN parsed_1qpu 2
33 1 1 . . . . . . . . . 91 ALA O parsed_1qpu 2
33 1 2 . . . . . . . . . 94 LEU N parsed_1qpu 2
34 1 1 . . . . . . . . . 91 ALA O parsed_1qpu 2
34 1 2 . . . . . . . . . 94 LEU HN parsed_1qpu 2
35 1 1 . . . . . . . . . 92 GLU- O parsed_1qpu 2
35 1 2 . . . . . . . . . 95 LYS+ N parsed_1qpu 2
36 1 1 . . . . . . . . . 92 GLU- O parsed_1qpu 2
36 1 2 . . . . . . . . . 95 LYS+ HN parsed_1qpu 2
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 . . . . . . . 2.7 parsed_1qpu 2
2 1 . . . . . . . 1.8 parsed_1qpu 2
3 1 . . . . . . . 2.7 parsed_1qpu 2
4 1 . . . . . . . 1.8 parsed_1qpu 2
5 1 . . . . . . . 2.7 parsed_1qpu 2
6 1 . . . . . . . 1.8 parsed_1qpu 2
7 1 . . . . . . . 2.7 parsed_1qpu 2
8 1 . . . . . . . 1.8 parsed_1qpu 2
9 1 . . . . . . . 2.7 parsed_1qpu 2
10 1 . . . . . . . 1.8 parsed_1qpu 2
11 1 . . . . . . . 2.7 parsed_1qpu 2
12 1 . . . . . . . 1.8 parsed_1qpu 2
13 1 . . . . . . . 2.7 parsed_1qpu 2
14 1 . . . . . . . 1.8 parsed_1qpu 2
15 1 . . . . . . . 2.7 parsed_1qpu 2
16 1 . . . . . . . 1.8 parsed_1qpu 2
17 1 . . . . . . . 2.7 parsed_1qpu 2
18 1 . . . . . . . 1.8 parsed_1qpu 2
19 1 . . . . . . . 2.7 parsed_1qpu 2
20 1 . . . . . . . 1.8 parsed_1qpu 2
21 1 . . . . . . . 2.7 parsed_1qpu 2
22 1 . . . . . . . 1.8 parsed_1qpu 2
23 1 . . . . . . . 2.7 parsed_1qpu 2
24 1 . . . . . . . 1.8 parsed_1qpu 2
25 1 . . . . . . . 2.7 parsed_1qpu 2
26 1 . . . . . . . 1.8 parsed_1qpu 2
27 1 . . . . . . . 2.7 parsed_1qpu 2
28 1 . . . . . . . 1.8 parsed_1qpu 2
29 1 . . . . . . . 2.7 parsed_1qpu 2
30 1 . . . . . . . 1.8 parsed_1qpu 2
31 1 . . . . . . . 2.7 parsed_1qpu 2
32 1 . . . . . . . 1.8 parsed_1qpu 2
33 1 . . . . . . . 2.7 parsed_1qpu 2
34 1 . . . . . . . 1.8 parsed_1qpu 2
35 1 . . . . . . . 2.7 parsed_1qpu 2
36 1 . . . . . . . 1.8 parsed_1qpu 2
stop_
save_