NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
647155 |
6kno   |
cing | 2-parsed | STAR | entry | full | 33 |
data_6kno_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6kno
_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_6kno 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6kno
_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 6kno "Master copy" parsed_6kno
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6kno
_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 6kno.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6kno 1
1 6kno.mr . . DYANA/DIANA 2 distance NOE simple 29 parsed_6kno 1
1 6kno.mr . . DYANA/DIANA 3 distance "general distance" simple 4 parsed_6kno 1
1 6kno.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6kno 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_6kno
_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 NEUROPEPTIDE 06-AUG-19 6KNO
*TITLE STRUCTURE OF SINGLE DISULFIDE PEPTIDE CZON1107-P7A (MINOR CONFORMER)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: CZON1107-P7A(MINOR CONFORMER);
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: CONUS ZONATUS;
*SOURCE 4 ORGANISM_TAXID: 754466
*KEYWDS NACHR ANTAGONIST NMR, NEUROPEPTIDE
*EXPDTA SOLUTION NMR
*NUMMDL 27
*AUTHOR S.P.SARMA,M.MADHAN KUMAR
*REVDAT 1 08-APR-20 6KNO 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6kno
_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_6kno 1
2 1 . . . parsed_6kno 1
3 1 . . . parsed_6kno 1
4 1 . . . parsed_6kno 1
5 1 . . . parsed_6kno 1
6 1 . . . parsed_6kno 1
7 1 . . . parsed_6kno 1
8 1 . . . parsed_6kno 1
9 1 . . . parsed_6kno 1
10 1 . . . parsed_6kno 1
11 1 . . . parsed_6kno 1
12 1 . . . parsed_6kno 1
13 1 . . . parsed_6kno 1
14 1 . . . parsed_6kno 1
15 1 . . . parsed_6kno 1
16 1 . . . parsed_6kno 1
17 1 . . . parsed_6kno 1
18 1 . . . parsed_6kno 1
19 1 . . . parsed_6kno 1
20 1 . . . parsed_6kno 1
21 1 . . . parsed_6kno 1
22 1 . . . parsed_6kno 1
23 1 . . . parsed_6kno 1
24 1 . . . parsed_6kno 1
25 1 . . . parsed_6kno 1
26 1 . . . parsed_6kno 1
27 1 . . . parsed_6kno 1
28 1 . . . parsed_6kno 1
29 1 . . . parsed_6kno 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 . . . . . . . . . 12 PHE H parsed_6kno 1
1 1 2 . . . . . . . . . 11 GLY HA2 parsed_6kno 1
2 1 1 . . . . . . . . . 12 PHE H parsed_6kno 1
2 1 2 . . . . . . . . . 12 PHE HA parsed_6kno 1
3 1 1 . . . . . . . . . 12 PHE H parsed_6kno 1
3 1 2 . . . . . . . . . 12 PHE HB2 parsed_6kno 1
4 1 1 . . . . . . . . . 12 PHE H parsed_6kno 1
4 1 2 . . . . . . . . . 20 CYSS H parsed_6kno 1
5 1 1 . . . . . . . . . 12 PHE HA parsed_6kno 1
5 1 2 . . . . . . . . . 12 PHE QD parsed_6kno 1
6 1 1 . . . . . . . . . 12 PHE HA parsed_6kno 1
6 1 2 . . . . . . . . . 13 ARG H parsed_6kno 1
7 1 1 . . . . . . . . . 12 PHE HB2 parsed_6kno 1
7 1 2 . . . . . . . . . 12 PHE QD parsed_6kno 1
8 1 1 . . . . . . . . . 12 PHE HB3 parsed_6kno 1
8 1 2 . . . . . . . . . 12 PHE QD parsed_6kno 1
9 1 1 . . . . . . . . . 13 ARG H parsed_6kno 1
9 1 2 . . . . . . . . . 13 ARG HB2 parsed_6kno 1
10 1 1 . . . . . . . . . 13 ARG H parsed_6kno 1
10 1 2 . . . . . . . . . 13 ARG HB3 parsed_6kno 1
11 1 1 . . . . . . . . . 13 ARG H parsed_6kno 1
11 1 2 . . . . . . . . . 13 ARG HD2 parsed_6kno 1
12 1 1 . . . . . . . . . 13 ARG H parsed_6kno 1
12 1 2 . . . . . . . . . 13 ARG HG2 parsed_6kno 1
13 1 1 . . . . . . . . . 13 ARG HE parsed_6kno 1
13 1 2 . . . . . . . . . 13 ARG HB2 parsed_6kno 1
14 1 1 . . . . . . . . . 13 ARG HE parsed_6kno 1
14 1 2 . . . . . . . . . 13 ARG HB3 parsed_6kno 1
15 1 1 . . . . . . . . . 13 ARG HE parsed_6kno 1
15 1 2 . . . . . . . . . 13 ARG HG2 parsed_6kno 1
16 1 1 . . . . . . . . . 16 CYSS H parsed_6kno 1
16 1 2 . . . . . . . . . 15 PRO HA parsed_6kno 1
17 1 1 . . . . . . . . . 16 CYSS H parsed_6kno 1
17 1 2 . . . . . . . . . 16 CYSS HB2 parsed_6kno 1
18 1 1 . . . . . . . . . 16 CYSS HA parsed_6kno 1
18 1 2 . . . . . . . . . 16 CYSS H parsed_6kno 1
19 1 1 . . . . . . . . . 17 ALA H parsed_6kno 1
19 1 2 . . . . . . . . . 16 CYSS H parsed_6kno 1
20 1 1 . . . . . . . . . 17 ALA H parsed_6kno 1
20 1 2 . . . . . . . . . 16 CYSS HA parsed_6kno 1
21 1 1 . . . . . . . . . 17 ALA H parsed_6kno 1
21 1 2 . . . . . . . . . 17 ALA HA parsed_6kno 1
22 1 1 . . . . . . . . . 17 ALA H parsed_6kno 1
22 1 2 . . . . . . . . . 17 ALA QB parsed_6kno 1
23 1 1 . . . . . . . . . 17 ALA H parsed_6kno 1
23 1 2 . . . . . . . . . 18 PRO HA parsed_6kno 1
24 1 1 . . . . . . . . . 19 PHE H parsed_6kno 1
24 1 2 . . . . . . . . . 19 PHE HA parsed_6kno 1
25 1 1 . . . . . . . . . 19 PHE H parsed_6kno 1
25 1 2 . . . . . . . . . 19 PHE HB2 parsed_6kno 1
26 1 1 . . . . . . . . . 19 PHE HA parsed_6kno 1
26 1 2 . . . . . . . . . 19 PHE HB2 parsed_6kno 1
27 1 1 . . . . . . . . . 19 PHE HA parsed_6kno 1
27 1 2 . . . . . . . . . 19 PHE HB3 parsed_6kno 1
28 1 1 . . . . . . . . . 20 CYSS HB2 parsed_6kno 1
28 1 2 . . . . . . . . . 20 CYSS HA parsed_6kno 1
29 1 1 . . . . . . . . . 21 CTN H1 parsed_6kno 1
29 1 2 . . . . . . . . . 21 CTN H2 parsed_6kno 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 . . . . . . . 2.40 parsed_6kno 1
2 1 . . . . . . . 3.50 parsed_6kno 1
3 1 . . . . . . . 5.00 parsed_6kno 1
4 1 . . . . . . . 5.00 parsed_6kno 1
5 1 . . . . . . . 5.00 parsed_6kno 1
6 1 . . . . . . . 2.40 parsed_6kno 1
7 1 . . . . . . . 5.00 parsed_6kno 1
8 1 . . . . . . . 0.00 parsed_6kno 1
9 1 . . . . . . . 5.00 parsed_6kno 1
10 1 . . . . . . . 0.00 parsed_6kno 1
11 1 . . . . . . . 5.00 parsed_6kno 1
12 1 . . . . . . . 5.00 parsed_6kno 1
13 1 . . . . . . . 5.00 parsed_6kno 1
14 1 . . . . . . . 0.00 parsed_6kno 1
15 1 . . . . . . . 3.50 parsed_6kno 1
16 1 . . . . . . . 3.50 parsed_6kno 1
17 1 . . . . . . . 5.00 parsed_6kno 1
18 1 . . . . . . . 3.50 parsed_6kno 1
19 1 . . . . . . . 4.20 parsed_6kno 1
20 1 . . . . . . . 3.50 parsed_6kno 1
21 1 . . . . . . . 3.50 parsed_6kno 1
22 1 . . . . . . . 5.00 parsed_6kno 1
23 1 . . . . . . . 4.80 parsed_6kno 1
24 1 . . . . . . . 3.50 parsed_6kno 1
25 1 . . . . . . . 5.00 parsed_6kno 1
26 1 . . . . . . . 5.00 parsed_6kno 1
27 1 . . . . . . . 0.00 parsed_6kno 1
28 1 . . . . . . . 3.50 parsed_6kno 1
29 1 . . . . . . . 3.50 parsed_6kno 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 "Restraints file 1: czon1107_P7A_cc.upl" 1 1 1 40 parsed_6kno 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6kno
_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_6kno 2
2 1 . . . parsed_6kno 2
3 1 . . . parsed_6kno 2
4 1 . . . parsed_6kno 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 . . . . . . . . . 16 CYSS SG parsed_6kno 2
1 1 2 . . . . . . . . . 20 CYSS SG parsed_6kno 2
2 1 1 . . . . . . . . . 16 CYSS SG parsed_6kno 2
2 1 2 . . . . . . . . . 20 CYSS CB parsed_6kno 2
3 1 1 . . . . . . . . . 16 CYSS CB parsed_6kno 2
3 1 2 . . . . . . . . . 20 CYSS SG parsed_6kno 2
4 1 1 . . . . . . . . . 16 CYSS CB parsed_6kno 2
4 1 2 . . . . . . . . . 20 CYSS CB parsed_6kno 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 . . . . . . . 2.05 parsed_6kno 2
2 1 . . . . . . . 3.05 parsed_6kno 2
3 1 . . . . . . . 3.15 parsed_6kno 2
4 1 . . . . . . . 4.20 parsed_6kno 2
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 "restraint file for disulphide bonds" 1 3 1 39 parsed_6kno 2
2 3.05 4 65 4 69 parsed_6kno 2
stop_
save_
Contact the webmaster for help, if required. Wednesday, June 26, 2024 2:17:42 AM GMT (wattos1)