NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
641351 |
6j3l   |
cing | 2-parsed | STAR | distance | hydrogen bond | simple | 20 |
data_6j3l_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6j3l
_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_6j3l 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6j3l
_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 6j3l "Master copy" parsed_6j3l
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6j3l
_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 6j3l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6j3l 1
1 6j3l.mr . . XPLOR/CNS 2 distance NOE ambi 1365 parsed_6j3l 1
1 6j3l.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 20 parsed_6j3l 1
1 6j3l.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_6j3l 1
1 6j3l.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6j3l 1
1 6j3l.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6j3l 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6j3l
_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_6j3l 1
2 1 . . . parsed_6j3l 1
3 1 . . . parsed_6j3l 1
4 1 . . . parsed_6j3l 1
5 1 . . . parsed_6j3l 1
6 1 . . . parsed_6j3l 1
7 1 . . . parsed_6j3l 1
8 1 . . . parsed_6j3l 1
9 1 . . . parsed_6j3l 1
10 1 . . . parsed_6j3l 1
11 1 . . . parsed_6j3l 1
12 1 . . . parsed_6j3l 1
13 1 . . . parsed_6j3l 1
14 1 . . . parsed_6j3l 1
15 1 . . . parsed_6j3l 1
16 1 . . . parsed_6j3l 1
17 1 . . . parsed_6j3l 1
18 1 . . . parsed_6j3l 1
19 1 . . . parsed_6j3l 1
20 1 . . . parsed_6j3l 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 . . . . . . . . " A" 177 . N parsed_6j3l 1
1 1 2 . . . . . . . . " A" 173 . O parsed_6j3l 1
2 1 1 . . . . . . . . " A" 177 . HN parsed_6j3l 1
2 1 2 . . . . . . . . " A" 173 . O parsed_6j3l 1
3 1 1 . . . . . . . . " A" 176 . N parsed_6j3l 1
3 1 2 . . . . . . . . " A" 172 . O parsed_6j3l 1
4 1 1 . . . . . . . . " A" 176 . HN parsed_6j3l 1
4 1 2 . . . . . . . . " A" 172 . O parsed_6j3l 1
5 1 1 . . . . . . . . " A" 175 . N parsed_6j3l 1
5 1 2 . . . . . . . . " A" 171 . O parsed_6j3l 1
6 1 1 . . . . . . . . " A" 175 . HN parsed_6j3l 1
6 1 2 . . . . . . . . " A" 171 . O parsed_6j3l 1
7 1 1 . . . . . . . . " A" 174 . N parsed_6j3l 1
7 1 2 . . . . . . . . " A" 170 . O parsed_6j3l 1
8 1 1 . . . . . . . . " A" 174 . HN parsed_6j3l 1
8 1 2 . . . . . . . . " A" 170 . O parsed_6j3l 1
9 1 1 . . . . . . . . " A" 173 . N parsed_6j3l 1
9 1 2 . . . . . . . . " A" 169 . O parsed_6j3l 1
10 1 1 . . . . . . . . " A" 173 . HN parsed_6j3l 1
10 1 2 . . . . . . . . " A" 169 . O parsed_6j3l 1
11 1 1 . . . . . . . . " A" 172 . N parsed_6j3l 1
11 1 2 . . . . . . . . " A" 168 . O parsed_6j3l 1
12 1 1 . . . . . . . . " A" 172 . HN parsed_6j3l 1
12 1 2 . . . . . . . . " A" 168 . O parsed_6j3l 1
13 1 1 . . . . . . . . " A" 141 . N parsed_6j3l 1
13 1 2 . . . . . . . . " A" 137 . O parsed_6j3l 1
14 1 1 . . . . . . . . " A" 141 . HN parsed_6j3l 1
14 1 2 . . . . . . . . " A" 137 . O parsed_6j3l 1
15 1 1 . . . . . . . . " A" 140 . N parsed_6j3l 1
15 1 2 . . . . . . . . " A" 136 . O parsed_6j3l 1
16 1 1 . . . . . . . . " A" 140 . HN parsed_6j3l 1
16 1 2 . . . . . . . . " A" 136 . O parsed_6j3l 1
17 1 1 . . . . . . . . " A" 139 . N parsed_6j3l 1
17 1 2 . . . . . . . . " A" 135 . O parsed_6j3l 1
18 1 1 . . . . . . . . " A" 139 . HN parsed_6j3l 1
18 1 2 . . . . . . . . " A" 135 . O parsed_6j3l 1
19 1 1 . . . . . . . . " A" 138 . N parsed_6j3l 1
19 1 2 . . . . . . . . " A" 134 . O parsed_6j3l 1
20 1 1 . . . . . . . . " A" 138 . HN parsed_6j3l 1
20 1 2 . . . . . . . . " A" 134 . O parsed_6j3l 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 . . . . . 2.8 2.7 2.9 parsed_6j3l 1
2 1 . . . . . 1.9 1.8 2.0 parsed_6j3l 1
3 1 . . . . . 2.8 2.7 2.9 parsed_6j3l 1
4 1 . . . . . 1.9 1.8 2.0 parsed_6j3l 1
5 1 . . . . . 2.8 2.7 2.9 parsed_6j3l 1
6 1 . . . . . 1.9 1.8 2.0 parsed_6j3l 1
7 1 . . . . . 2.8 2.7 2.9 parsed_6j3l 1
8 1 . . . . . 1.9 1.8 2.0 parsed_6j3l 1
9 1 . . . . . 2.8 2.7 2.9 parsed_6j3l 1
10 1 . . . . . 1.9 1.8 2.0 parsed_6j3l 1
11 1 . . . . . 2.8 2.7 2.9 parsed_6j3l 1
12 1 . . . . . 1.9 1.8 2.0 parsed_6j3l 1
13 1 . . . . . 2.8 2.7 2.9 parsed_6j3l 1
14 1 . . . . . 1.9 1.8 2.0 parsed_6j3l 1
15 1 . . . . . 2.8 2.7 2.9 parsed_6j3l 1
16 1 . . . . . 1.9 1.8 2.0 parsed_6j3l 1
17 1 . . . . . 2.8 2.7 2.9 parsed_6j3l 1
18 1 . . . . . 1.9 1.8 2.0 parsed_6j3l 1
19 1 . . . . . 2.8 2.7 2.9 parsed_6j3l 1
20 1 . . . . . 1.9 1.8 2.0 parsed_6j3l 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
;
hbonds
177 HN
;
2 1 3 8 parsed_6j3l 1
2 "176 HN" 6 1 6 8 parsed_6j3l 1
3 "175 HN" 9 1 9 8 parsed_6j3l 1
4 "174 HN" 12 1 12 8 parsed_6j3l 1
5 "173 HN" 15 1 15 8 parsed_6j3l 1
6 "172 HN" 18 1 18 8 parsed_6j3l 1
7 "141 HN" 21 1 21 8 parsed_6j3l 1
8 "140 HN" 24 1 24 8 parsed_6j3l 1
9 "139 HN" 27 1 27 8 parsed_6j3l 1
10 "138 HN" 30 1 30 8 parsed_6j3l 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 2: hbonds.tbl" 1 1 1 31 parsed_6j3l 1
stop_
save_
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