NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
31701 |
1evd   |
cing | 2-parsed | STAR | entry | full | 48 |
data_1evd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1evd
_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_1evd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1evd
_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 1evd "Master copy" parsed_1evd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1evd
_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 1evd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1evd 1
1 1evd.mr . . DISCOVER 2 distance NOE simple 46 parsed_1evd 1
1 1evd.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1evd 1
1 1evd.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 2 parsed_1evd 1
1 1evd.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1evd 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_1evd
_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 CYANOBACTERIAL TOXIN 14-FEB-96 1EVD
*TITLE CYANOBACTERIAL TOXIN, PHOSPHATASE-1/-2A INHIBITOR, NMR
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: MOTUPORIN;
*COMPND 3 CHAIN: NULL;
*COMPND 4 SYNONYM: NODULARIN-V
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: PRODUCING ORGANISM NOT KNOWN;
*SOURCE 3 OTHER_DETAILS: ISOLATED FROM MARINE SPONGE
*KEYWDS CYANOBACTERIAL TOXIN, PHOSPHATASE-1/-2A INHIBITOR
*EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR J.R.BAGU,B.D.SYKES
*REVDAT 1 08-NOV-96 1EVD 0
!BIOSYM restraint 1
!
#remote_prochiral_center
!
#NOE_distance
;
save_
save_Discover_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1evd
_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_1evd 1
2 1 . . . parsed_1evd 1
3 1 . . . parsed_1evd 1
4 1 . . . parsed_1evd 1
5 1 . . . parsed_1evd 1
6 1 . . . parsed_1evd 1
7 1 . . . parsed_1evd 1
8 1 . . . parsed_1evd 1
9 1 . . . parsed_1evd 1
10 1 . . . parsed_1evd 1
11 1 . . . parsed_1evd 1
12 1 . . . parsed_1evd 1
13 1 . . . parsed_1evd 1
14 1 . . . parsed_1evd 1
15 1 . . . parsed_1evd 1
16 1 . . . parsed_1evd 1
17 1 . . . parsed_1evd 1
18 1 . . . parsed_1evd 1
19 1 . . . parsed_1evd 1
20 1 . . . parsed_1evd 1
21 1 . . . parsed_1evd 1
22 1 . . . parsed_1evd 1
23 1 . . . parsed_1evd 1
24 1 . . . parsed_1evd 1
25 1 . . . parsed_1evd 1
26 1 . . . parsed_1evd 1
27 1 . . . parsed_1evd 1
28 1 . . . parsed_1evd 1
29 1 . . . parsed_1evd 1
30 1 . . . parsed_1evd 1
31 1 . . . parsed_1evd 1
32 1 . . . parsed_1evd 1
33 1 . . . parsed_1evd 1
34 1 . . . parsed_1evd 1
35 1 . . . parsed_1evd 1
36 1 . . . parsed_1evd 1
37 1 . . . parsed_1evd 1
38 1 . . . parsed_1evd 1
39 1 . . . parsed_1evd 1
40 1 . . . parsed_1evd 1
41 1 . . . parsed_1evd 1
42 1 . . . parsed_1evd 1
43 1 . . . parsed_1evd 1
44 1 . . . parsed_1evd 1
45 1 . . . parsed_1evd 1
46 1 . . . parsed_1evd 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 1 MASP HN parsed_1evd 1
1 1 2 . . . . . . . . 1 1 MASP HA parsed_1evd 1
2 1 1 . . . . . . . . 1 1 MASP HN parsed_1evd 1
2 1 2 . . . . . . . . 1 5 MDHB HM* parsed_1evd 1
3 1 1 . . . . . . . . 1 1 MASP HN parsed_1evd 1
3 1 2 . . . . . . . . 1 4 GLU HG* parsed_1evd 1
4 1 1 . . . . . . . . 1 1 MASP HN parsed_1evd 1
4 1 2 . . . . . . . . 1 1 MASP HG* parsed_1evd 1
5 1 1 . . . . . . . . 1 2 VAL HN parsed_1evd 1
5 1 2 . . . . . . . . 1 3 ADDA HN parsed_1evd 1
6 1 1 . . . . . . . . 1 2 VAL HN parsed_1evd 1
6 1 2 . . . . . . . . 1 2 VAL HA parsed_1evd 1
7 1 1 . . . . . . . . 1 2 VAL HN parsed_1evd 1
7 1 2 . . . . . . . . 1 1 MASP HB parsed_1evd 1
8 1 1 . . . . . . . . 1 2 VAL HN parsed_1evd 1
8 1 2 . . . . . . . . 1 2 VAL HG* parsed_1evd 1
9 1 1 . . . . . . . . 1 4 GLU HN parsed_1evd 1
9 1 2 . . . . . . . . 1 4 GLU HA parsed_1evd 1
10 1 1 . . . . . . . . 1 4 GLU HN parsed_1evd 1
10 1 2 . . . . . . . . 1 3 ADDA H1 parsed_1evd 1
11 1 1 . . . . . . . . 1 4 GLU HN parsed_1evd 1
11 1 2 . . . . . . . . 1 4 GLU HG* parsed_1evd 1
12 1 1 . . . . . . . . 1 4 GLU HN parsed_1evd 1
12 1 2 . . . . . . . . 1 4 GLU HB* parsed_1evd 1
13 1 1 . . . . . . . . 1 4 GLU HN parsed_1evd 1
13 1 2 . . . . . . . . 1 3 ADDA H2* parsed_1evd 1
14 1 1 . . . . . . . . 1 3 ADDA HN parsed_1evd 1
14 1 2 . . . . . . . . 1 3 ADDA HB parsed_1evd 1
15 1 1 . . . . . . . . 1 3 ADDA HN parsed_1evd 1
15 1 2 . . . . . . . . 1 3 ADDA HA parsed_1evd 1
16 1 1 . . . . . . . . 1 3 ADDA HN parsed_1evd 1
16 1 2 . . . . . . . . 1 3 ADDA H1 parsed_1evd 1
17 1 1 . . . . . . . . 1 3 ADDA HN parsed_1evd 1
17 1 2 . . . . . . . . 1 3 ADDA H2* parsed_1evd 1
18 1 1 . . . . . . . . 1 5 MDHB HB parsed_1evd 1
18 1 2 . . . . . . . . 1 5 MDHB HG* parsed_1evd 1
19 1 1 . . . . . . . . 1 3 ADDA HG parsed_1evd 1
19 1 2 . . . . . . . . 1 3 ADDA HB parsed_1evd 1
20 1 1 . . . . . . . . 1 3 ADDA HG parsed_1evd 1
20 1 2 . . . . . . . . 1 3 ADDA HE parsed_1evd 1
21 1 1 . . . . . . . . 1 3 ADDA HG parsed_1evd 1
21 1 2 . . . . . . . . 1 3 ADDA HA parsed_1evd 1
22 1 1 . . . . . . . . 1 3 ADDA HG parsed_1evd 1
22 1 2 . . . . . . . . 1 3 ADDA H3* parsed_1evd 1
23 1 1 . . . . . . . . 1 3 ADDA HG parsed_1evd 1
23 1 2 . . . . . . . . 1 3 ADDA H2* parsed_1evd 1
24 1 1 . . . . . . . . 1 3 ADDA HB parsed_1evd 1
24 1 2 . . . . . . . . 1 3 ADDA HA parsed_1evd 1
25 1 1 . . . . . . . . 1 3 ADDA HB parsed_1evd 1
25 1 2 . . . . . . . . 1 3 ADDA H1 parsed_1evd 1
26 1 1 . . . . . . . . 1 3 ADDA HB parsed_1evd 1
26 1 2 . . . . . . . . 1 3 ADDA H3* parsed_1evd 1
27 1 1 . . . . . . . . 1 3 ADDA HB parsed_1evd 1
27 1 2 . . . . . . . . 1 3 ADDA H2* parsed_1evd 1
28 1 1 . . . . . . . . 1 3 ADDA HE parsed_1evd 1
28 1 2 . . . . . . . . 1 3 ADDA HH parsed_1evd 1
29 1 1 . . . . . . . . 1 3 ADDA HE parsed_1evd 1
29 1 2 . . . . . . . . 1 3 ADDA HI* parsed_1evd 1
30 1 1 . . . . . . . . 1 3 ADDA HE parsed_1evd 1
30 1 2 . . . . . . . . 1 3 ADDA HF parsed_1evd 1
31 1 1 . . . . . . . . 1 3 ADDA HE parsed_1evd 1
31 1 2 . . . . . . . . 1 3 ADDA H3* parsed_1evd 1
32 1 1 . . . . . . . . 1 3 ADDA HE parsed_1evd 1
32 1 2 . . . . . . . . 1 3 ADDA H4* parsed_1evd 1
33 1 1 . . . . . . . . 1 3 ADDA HA parsed_1evd 1
33 1 2 . . . . . . . . 1 3 ADDA H1 parsed_1evd 1
34 1 1 . . . . . . . . 1 3 ADDA HA parsed_1evd 1
34 1 2 . . . . . . . . 1 3 ADDA H2* parsed_1evd 1
35 1 1 . . . . . . . . 1 2 VAL HA parsed_1evd 1
35 1 2 . . . . . . . . 1 2 VAL HB parsed_1evd 1
36 1 1 . . . . . . . . 1 2 VAL HA parsed_1evd 1
36 1 2 . . . . . . . . 1 2 VAL HG* parsed_1evd 1
37 1 1 . . . . . . . . 1 4 GLU HA parsed_1evd 1
37 1 2 . . . . . . . . 1 4 GLU HB* parsed_1evd 1
38 1 1 . . . . . . . . 1 1 MASP HA parsed_1evd 1
38 1 2 . . . . . . . . 1 1 MASP HB parsed_1evd 1
39 1 1 . . . . . . . . 1 1 MASP HA parsed_1evd 1
39 1 2 . . . . . . . . 1 1 MASP HG* parsed_1evd 1
40 1 1 . . . . . . . . 1 3 ADDA HH parsed_1evd 1
40 1 2 . . . . . . . . 1 3 ADDA HI* parsed_1evd 1
41 1 1 . . . . . . . . 1 3 ADDA HH parsed_1evd 1
41 1 2 . . . . . . . . 1 3 ADDA HF parsed_1evd 1
42 1 1 . . . . . . . . 1 3 ADDA HH parsed_1evd 1
42 1 2 . . . . . . . . 1 3 ADDA H4* parsed_1evd 1
43 1 1 . . . . . . . . 1 1 MASP HB parsed_1evd 1
43 1 2 . . . . . . . . 1 1 MASP HG* parsed_1evd 1
44 1 1 . . . . . . . . 1 3 ADDA H1 parsed_1evd 1
44 1 2 . . . . . . . . 1 3 ADDA H2* parsed_1evd 1
45 1 1 . . . . . . . . 1 3 ADDA HF parsed_1evd 1
45 1 2 . . . . . . . . 1 3 ADDA H3* parsed_1evd 1
46 1 1 . . . . . . . . 1 2 VAL HB parsed_1evd 1
46 1 2 . . . . . . . . 1 2 VAL HG* parsed_1evd 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 . . . . . 3.300 -1.000 5.000 parsed_1evd 1
2 1 . . . . . 3.300 -1.000 4.800 parsed_1evd 1
3 1 . . . . . 3.300 -1.000 4.300 parsed_1evd 1
4 1 . . . . . 2.700 -1.000 4.200 parsed_1evd 1
5 1 . . . . . 3.900 -1.000 3.900 parsed_1evd 1
6 1 . . . . . 3.300 -1.000 5.000 parsed_1evd 1
7 1 . . . . . 2.700 -1.000 2.700 parsed_1evd 1
8 1 . . . . . 4.853 -1.000 4.853 parsed_1evd 1
9 1 . . . . . 3.300 -1.000 5.000 parsed_1evd 1
10 1 . . . . . 2.700 -1.000 2.700 parsed_1evd 1
11 1 . . . . . 3.921 -1.000 3.921 parsed_1evd 1
12 1 . . . . . 3.847 -1.000 3.847 parsed_1evd 1
13 1 . . . . . 3.300 -1.000 4.800 parsed_1evd 1
14 1 . . . . . 3.300 -1.000 3.300 parsed_1evd 1
15 1 . . . . . 3.300 -1.000 5.000 parsed_1evd 1
16 1 . . . . . 3.300 -1.000 3.300 parsed_1evd 1
17 1 . . . . . 5.000 -1.000 6.500 parsed_1evd 1
18 1 . . . . . 2.700 -1.000 6.500 parsed_1evd 1
19 1 . . . . . 3.300 -1.000 5.000 parsed_1evd 1
20 1 . . . . . 2.700 -1.000 5.000 parsed_1evd 1
21 1 . . . . . 2.700 -1.000 2.700 parsed_1evd 1
22 1 . . . . . 4.500 -1.000 6.500 parsed_1evd 1
23 1 . . . . . 3.300 -1.000 6.500 parsed_1evd 1
24 1 . . . . . 3.300 -1.000 5.000 parsed_1evd 1
25 1 . . . . . 2.700 -1.000 2.700 parsed_1evd 1
26 1 . . . . . 2.700 -1.000 4.200 parsed_1evd 1
27 1 . . . . . 3.300 -1.000 4.800 parsed_1evd 1
28 1 . . . . . 3.300 -1.000 5.000 parsed_1evd 1
29 1 . . . . . 3.506 -1.000 5.000 parsed_1evd 1
30 1 . . . . . 3.300 -1.000 5.000 parsed_1evd 1
31 1 . . . . . 3.900 -1.000 5.400 parsed_1evd 1
32 1 . . . . . 2.700 -1.000 4.200 parsed_1evd 1
33 1 . . . . . 3.300 -1.000 5.000 parsed_1evd 1
34 1 . . . . . 3.300 -1.000 4.800 parsed_1evd 1
35 1 . . . . . 2.700 -1.000 2.700 parsed_1evd 1
36 1 . . . . . 4.853 -1.000 4.853 parsed_1evd 1
37 1 . . . . . 2.553 -1.000 2.553 parsed_1evd 1
38 1 . . . . . 2.700 -1.000 2.700 parsed_1evd 1
39 1 . . . . . 2.700 -1.000 4.200 parsed_1evd 1
40 1 . . . . . 2.887 -1.000 5.000 parsed_1evd 1
41 1 . . . . . 3.300 -1.000 3.300 parsed_1evd 1
42 1 . . . . . 3.900 -1.000 5.400 parsed_1evd 1
43 1 . . . . . 2.700 -1.000 6.500 parsed_1evd 1
44 1 . . . . . 2.700 -1.000 6.500 parsed_1evd 1
45 1 . . . . . 2.700 -1.000 4.200 parsed_1evd 1
46 1 . . . . . 4.218 -1.000 5.000 parsed_1evd 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_1evd
_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 "#3J_dihedral"
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1evd
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 152.6 -152.6 . 1 2 VAL HN 1 2 VAL N 1 2 VAL CA 1 2 VAL HA parsed_1evd 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 148.8 -148.8 . 1 3 ADDA HN 1 3 ADDA N 1 3 ADDA CA 1 3 ADDA HA parsed_1evd 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "A=6.800, B=-1.300, C=2.500" 1 125 1 151 parsed_1evd 1
stop_
save_
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