NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
39124 |
1soc   |
cing | 2-parsed | STAR | entry | full | 14 |
data_1soc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1soc
_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_1soc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1soc
_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 1soc "Master copy" parsed_1soc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1soc
_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 1soc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1soc 1
1 1soc.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1soc 1
1 1soc.mr . . DISCOVER 3 distance NOE simple 14 parsed_1soc 1
1 1soc.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1soc 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_1soc
_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 OCTREOTIDE 26-NOV-96 1SOC
*TITLE NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF
*TITLE 2 SANDOSTATIN, MINIMIZED AVERAGE BETA-SHEET STRUCTURE
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: SANDOSTATIN;
*COMPND 3 CHAIN: NULL;
*COMPND 4 SYNONYM: OCTREOTIDE;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: DONATED BY SANDOZ. IT INCLUDES THE ACTIVE
*SOURCE 4 SEQUENCE OF SOMATOSTATIN PHE-TRP-LYS-THR
*KEYWDS OCTREOTIDE, SANDOSTATIN
*EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR G.MELACINI,Q.ZHU,M.GOODMAN
*REVDAT 1 21-APR-97 1SOC 0
!BIOSYM restraint 1
!
;
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1soc
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_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_1soc 1
2 1 . . . parsed_1soc 1
3 1 . . . parsed_1soc 1
4 1 . . . parsed_1soc 1
5 1 . . . parsed_1soc 1
6 1 . . . parsed_1soc 1
7 1 . . . parsed_1soc 1
8 1 . . . parsed_1soc 1
9 1 . . . parsed_1soc 1
10 1 . . . parsed_1soc 1
11 1 . . . parsed_1soc 1
12 1 . . . parsed_1soc 1
13 1 . . . parsed_1soc 1
14 1 . . . parsed_1soc 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 2 CYS HA parsed_1soc 1
1 1 2 . . . . . . . . 1 3 PHE HN parsed_1soc 1
2 1 1 . . . . . . . . 1 3 PHE HN parsed_1soc 1
2 1 2 . . . . . . . . 1 3 PHE HA parsed_1soc 1
3 1 1 . . . . . . . . 1 4 TRP HN parsed_1soc 1
3 1 2 . . . . . . . . 1 3 PHE HA parsed_1soc 1
4 1 1 . . . . . . . . 1 4 TRP HN parsed_1soc 1
4 1 2 . . . . . . . . 1 4 TRP HA parsed_1soc 1
5 1 1 . . . . . . . . 1 5 LYS HN parsed_1soc 1
5 1 2 . . . . . . . . 1 4 TRP HA parsed_1soc 1
6 1 1 . . . . . . . . 1 5 LYS HN parsed_1soc 1
6 1 2 . . . . . . . . 1 5 LYS HA parsed_1soc 1
7 1 1 . . . . . . . . 1 5 LYS HN parsed_1soc 1
7 1 2 . . . . . . . . 1 6 THR HN parsed_1soc 1
8 1 1 . . . . . . . . 1 6 THR HN parsed_1soc 1
8 1 2 . . . . . . . . 1 6 THR HA parsed_1soc 1
9 1 1 . . . . . . . . 1 7 CYS HN parsed_1soc 1
9 1 2 . . . . . . . . 1 6 THR HA parsed_1soc 1
10 1 1 . . . . . . . . 1 7 CYS HN parsed_1soc 1
10 1 2 . . . . . . . . 1 6 THR HN parsed_1soc 1
11 1 1 . . . . . . . . 1 7 CYS HN parsed_1soc 1
11 1 2 . . . . . . . . 1 7 CYS HA parsed_1soc 1
12 1 1 . . . . . . . . 1 7 CYS HN parsed_1soc 1
12 1 2 . . . . . . . . 1 8 THR HN parsed_1soc 1
13 1 1 . . . . . . . . 1 8 THR HN parsed_1soc 1
13 1 2 . . . . . . . . 1 7 CYS HA parsed_1soc 1
14 1 1 . . . . . . . . 1 8 THR HN parsed_1soc 1
14 1 2 . . . . . . . . 1 8 THR HA parsed_1soc 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 . . . . . 2.241 1.741 2.741 parsed_1soc 1
2 1 . . . . . 2.752 2.252 3.252 parsed_1soc 1
3 1 . . . . . 1.935 1.435 2.435 parsed_1soc 1
4 1 . . . . . 2.543 2.043 3.043 parsed_1soc 1
5 1 . . . . . 2.018 1.518 2.518 parsed_1soc 1
6 1 . . . . . 2.611 2.111 3.111 parsed_1soc 1
7 1 . . . . . 2.577 2.077 3.077 parsed_1soc 1
8 1 . . . . . 2.609 2.109 3.109 parsed_1soc 1
9 1 . . . . . 2.111 1.611 2.611 parsed_1soc 1
10 1 . . . . . 3.400 2.900 3.900 parsed_1soc 1
11 1 . . . . . 2.776 2.276 3.276 parsed_1soc 1
12 1 . . . . . 3.093 2.593 3.593 parsed_1soc 1
13 1 . . . . . 2.185 1.685 2.685 parsed_1soc 1
14 1 . . . . . 2.980 2.480 3.480 parsed_1soc 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 NOE_distance 1 1 1 13 parsed_1soc 1
stop_
save_
Contact the webmaster for help, if required. Monday, July 8, 2024 8:47:40 AM GMT (wattos1)