NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
612053 |
2n8l   |
25854 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 10 |
data_2n8l_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n8l
_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_2n8l 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n8l
_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 2n8l "Master copy" parsed_2n8l
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n8l
_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 2n8l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n8l 1
1 2n8l.mr . . XPLOR/CNS 2 distance NOE ambi 2161 parsed_2n8l 1
1 2n8l.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 10 parsed_2n8l 1
1 2n8l.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n8l 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n8l
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_2n8l 1
2 1 . . . parsed_2n8l 1
3 1 . . . parsed_2n8l 1
4 1 . . . parsed_2n8l 1
5 1 . . . parsed_2n8l 1
6 1 . . . parsed_2n8l 1
7 1 . . . parsed_2n8l 1
8 1 . . . parsed_2n8l 1
9 1 . . . parsed_2n8l 1
10 1 . . . parsed_2n8l 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 . . . . . . . . "KH " 58 . HN parsed_2n8l 1
1 1 2 . . . . . . . . "RN " 5 . N1 parsed_2n8l 1
2 1 1 . . . . . . . . "KH " 58 . O parsed_2n8l 1
2 1 2 . . . . . . . . "RN " 5 . H62 parsed_2n8l 1
3 1 1 . . . . . . . . "KH " 58 . N parsed_2n8l 1
3 1 2 . . . . . . . . "RN " 5 . N1 parsed_2n8l 1
4 1 1 . . . . . . . . "KH " 58 . O parsed_2n8l 1
4 1 2 . . . . . . . . "RN " 5 . N6 parsed_2n8l 1
5 1 1 . . . . . . . . "KH " 69 . HH11 parsed_2n8l 1
5 1 2 . . . . . . . . "RN " 4 . O2 parsed_2n8l 1
6 1 1 . . . . . . . . "KH " 69 . NH1 parsed_2n8l 1
6 1 2 . . . . . . . . "RN " 4 . O2 parsed_2n8l 1
7 1 1 . . . . . . . . "KH " 69 . HH21 parsed_2n8l 1
7 1 2 . . . . . . . . "RN " 4 . N3 parsed_2n8l 1
8 1 1 . . . . . . . . "KH " 69 . NH2 parsed_2n8l 1
8 1 2 . . . . . . . . "RN " 4 . N3 parsed_2n8l 1
9 1 1 . . . . . . . . "KH " 40 . NZ parsed_2n8l 1
9 1 2 . . . . . . . . "RN " 2 . O1P parsed_2n8l 1
10 1 1 . . . . . . . . "KH " 40 . NZ parsed_2n8l 1
10 1 2 . . . . . . . . "RN " 3 . O2P parsed_2n8l 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 . 108 3.720e+02 . . 1.800 1.500 2.300 parsed_2n8l 1
2 1 . 109 3.720e+02 . . 1.800 1.500 2.300 parsed_2n8l 1
3 1 . 108 3.720e+02 . . 2.800 2.500 3.300 parsed_2n8l 1
4 1 . 109 3.720e+02 . . 2.800 2.500 3.300 parsed_2n8l 1
5 1 . 110 . . . 1.800 1.100 2.300 parsed_2n8l 1
6 1 . 110 . . . 3.000 2.500 3.500 parsed_2n8l 1
7 1 . 110 . . . 1.800 1.300 2.300 parsed_2n8l 1
8 1 . 110 . . . 3.000 2.500 3.500 parsed_2n8l 1
9 1 . 10 3.720e+02 . . 5.000 4.000 6.000 parsed_2n8l 1
10 1 . 10 3.720e+02 . . 5.000 4.000 6.000 parsed_2n8l 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
1 108 4 7 4 7 parsed_2n8l 1
2 "################H_bonds#################################" 1 1 3 66 parsed_2n8l 1
3 109 8 7 8 7 parsed_2n8l 1
4 112 13 7 13 7 parsed_2n8l 1
5 113 17 7 17 7 parsed_2n8l 1
6 110 27 7 27 7 parsed_2n8l 1
7 114 33 7 33 7 parsed_2n8l 1
8 115 41 7 41 7 parsed_2n8l 1
9 111 49 7 49 7 parsed_2n8l 1
10 116 59 6 59 6 parsed_2n8l 1
11 117 67 6 67 6 parsed_2n8l 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 3:40:31 PM GMT (wattos1)