NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
568131 |
2m6g   |
19132 | cing | 2-parsed | STAR | entry | full | 29 |
data_2m6g_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m6g
_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_2m6g 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m6g
_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 2m6g "Master copy" parsed_2m6g
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m6g
_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 2m6g.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m6g 1
1 2m6g.mr . . DYANA/DIANA 2 distance "hydrogen bond" simple 1 parsed_2m6g 1
1 2m6g.mr . . DYANA/DIANA 3 distance "general distance" simple 4 parsed_2m6g 1
1 2m6g.mr . . DYANA/DIANA 4 distance NOE simple 20 parsed_2m6g 1
1 2m6g.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 4 parsed_2m6g 1
1 2m6g.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m6g 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_2m6g
_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 TOXIN 29-MAR-13 2M6G
*TITLE SOLUTION STRUCTURE OF CIS(C2-P3) TRANS (D5-P6) FORM OF LO959 IN WATER
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: CONTRYPHAN-LO;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: LO959;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: CONUS LOROISII;
*SOURCE 4 ORGANISM_COMMON: CONE SNAIL;
*SOURCE 5 ORGANISM_TAXID: 410709
*KEYWDS LO959, WATER, TOXIN
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR R.SONTI
*REVDAT 1 30-OCT-13 2M6G 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2m6g
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_2m6g 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 . . . . . . . . . 5 ASP O parsed_2m6g 1
1 1 2 . . . . . . . . . 8 CYSS N parsed_2m6g 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 . . . . . . . 3.20 parsed_2m6g 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2m6g
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "general distance"
_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_2m6g 2
2 1 . . . parsed_2m6g 2
3 1 . . . parsed_2m6g 2
4 1 . . . parsed_2m6g 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 . . . . . . . . . 2 CYSS SG parsed_2m6g 2
1 1 2 . . . . . . . . . 8 CYSS SG parsed_2m6g 2
2 1 1 . . . . . . . . . 2 CYSS SG parsed_2m6g 2
2 1 2 . . . . . . . . . 8 CYSS CB parsed_2m6g 2
3 1 1 . . . . . . . . . 2 CYSS CB parsed_2m6g 2
3 1 2 . . . . . . . . . 8 CYSS SG parsed_2m6g 2
4 1 1 . . . . . . . . . 2 CYSS CB parsed_2m6g 2
4 1 2 . . . . . . . . . 8 CYSS CB parsed_2m6g 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 . . . . . . . 2.10 parsed_2m6g 2
2 1 . . . . . . . 3.10 parsed_2m6g 2
3 1 . . . . . . . 3.10 parsed_2m6g 2
4 1 . . . . . . . 4.25 parsed_2m6g 2
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2m6g
_Distance_constraint_list.ID 3
_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_2m6g 3
2 1 . . . parsed_2m6g 3
3 1 . . . parsed_2m6g 3
4 1 . . . parsed_2m6g 3
5 1 . . . parsed_2m6g 3
6 1 . . . parsed_2m6g 3
7 1 . . . parsed_2m6g 3
8 1 . . . parsed_2m6g 3
9 1 . . . parsed_2m6g 3
10 1 . . . parsed_2m6g 3
11 1 . . . parsed_2m6g 3
12 1 . . . parsed_2m6g 3
13 1 . . . parsed_2m6g 3
14 1 . . . parsed_2m6g 3
15 1 . . . parsed_2m6g 3
16 1 . . . parsed_2m6g 3
17 1 . . . parsed_2m6g 3
18 1 . . . parsed_2m6g 3
19 1 . . . parsed_2m6g 3
20 1 . . . parsed_2m6g 3
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 . . . . . . . . . 2 CYSS H parsed_2m6g 3
1 1 2 . . . . . . . . . 1 GLY QA parsed_2m6g 3
2 1 1 . . . . . . . . . 2 CYSS H parsed_2m6g 3
2 1 2 . . . . . . . . . 2 CYSS HA parsed_2m6g 3
3 1 1 . . . . . . . . . 2 CYSS HA parsed_2m6g 3
3 1 2 . . . . . . . . . 3 PROO HA parsed_2m6g 3
4 1 1 . . . . . . . . . 2 CYSS HA parsed_2m6g 3
4 1 2 . . . . . . . . . 5 ASP H parsed_2m6g 3
5 1 1 . . . . . . . . . 4 DTR H parsed_2m6g 3
5 1 2 . . . . . . . . . 3 PROO QB parsed_2m6g 3
6 1 1 . . . . . . . . . 4 DTR H parsed_2m6g 3
6 1 2 . . . . . . . . . 3 PROO HA parsed_2m6g 3
7 1 1 . . . . . . . . . 4 DTR H parsed_2m6g 3
7 1 2 . . . . . . . . . 4 DTR HA parsed_2m6g 3
8 1 1 . . . . . . . . . 4 DTR H parsed_2m6g 3
8 1 2 . . . . . . . . . 5 ASP H parsed_2m6g 3
9 1 1 . . . . . . . . . 4 DTR HD1 parsed_2m6g 3
9 1 2 . . . . . . . . . 3 PROO QB parsed_2m6g 3
10 1 1 . . . . . . . . . 4 DTR HE3 parsed_2m6g 3
10 1 2 . . . . . . . . . 3 PROO QB parsed_2m6g 3
11 1 1 . . . . . . . . . 4 DTR HA parsed_2m6g 3
11 1 2 . . . . . . . . . 4 DTR HE3 parsed_2m6g 3
12 1 1 . . . . . . . . . 5 ASP H parsed_2m6g 3
12 1 2 . . . . . . . . . 5 ASP HA parsed_2m6g 3
13 1 1 . . . . . . . . . 6 PROO HA parsed_2m6g 3
13 1 2 . . . . . . . . . 7 TRP H parsed_2m6g 3
14 1 1 . . . . . . . . . 6 PROO QD parsed_2m6g 3
14 1 2 . . . . . . . . . 7 TRP H parsed_2m6g 3
15 1 1 . . . . . . . . . 6 PROO QG parsed_2m6g 3
15 1 2 . . . . . . . . . 7 TRP H parsed_2m6g 3
16 1 1 . . . . . . . . . 7 TRP H parsed_2m6g 3
16 1 2 . . . . . . . . . 7 TRP HA parsed_2m6g 3
17 1 1 . . . . . . . . . 7 TRP HE3 parsed_2m6g 3
17 1 2 . . . . . . . . . 7 TRP H parsed_2m6g 3
18 1 1 . . . . . . . . . 6 PROO QG parsed_2m6g 3
18 1 2 . . . . . . . . . 7 TRP HE3 parsed_2m6g 3
19 1 1 . . . . . . . . . 8 CYSS H parsed_2m6g 3
19 1 2 . . . . . . . . . 6 PROO HA parsed_2m6g 3
20 1 1 . . . . . . . . . 8 CYSS H parsed_2m6g 3
20 1 2 . . . . . . . . . 7 TRP H parsed_2m6g 3
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 . . . . . . . 2.50 parsed_2m6g 3
2 1 . . . . . . . 3.50 parsed_2m6g 3
3 1 . . . . . . . 2.50 parsed_2m6g 3
4 1 . . . . . . . 3.50 parsed_2m6g 3
5 1 . . . . . . . 3.50 parsed_2m6g 3
6 1 . . . . . . . 2.50 parsed_2m6g 3
7 1 . . . . . . . 3.50 parsed_2m6g 3
8 1 . . . . . . . 3.50 parsed_2m6g 3
9 1 . . . . . . . 5.00 parsed_2m6g 3
10 1 . . . . . . . 3.50 parsed_2m6g 3
11 1 . . . . . . . 5.00 parsed_2m6g 3
12 1 . . . . . . . 3.50 parsed_2m6g 3
13 1 . . . . . . . 3.50 parsed_2m6g 3
14 1 . . . . . . . 3.50 parsed_2m6g 3
15 1 . . . . . . . 5.00 parsed_2m6g 3
16 1 . . . . . . . 3.50 parsed_2m6g 3
17 1 . . . . . . . 3.50 parsed_2m6g 3
18 1 . . . . . . . 3.50 parsed_2m6g 3
19 1 . . . . . . . 3.50 parsed_2m6g 3
20 1 . . . . . . . 3.50 parsed_2m6g 3
stop_
save_
save_DYANA/DIANA_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m6g
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 2 CYSS . . . . . . . . . . . . . parsed_2m6g 1
2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . +90.0 +150.0 . . 4 DTR . . . . . . . . . . . . . parsed_2m6g 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 ASP . . . . . . . . . . . . . parsed_2m6g 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 7 TRP . . . . . . . . . . . . . parsed_2m6g 1
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 5:58:48 AM GMT (wattos1)