NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
603840 |
5irt   |
30035 | cing | 2-parsed | STAR | distance | NOE | ambi | 24 |
data_5irt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5irt
_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_5irt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5irt
_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 5irt "Master copy" parsed_5irt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5irt
_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 5irt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5irt 1
1 5irt.mr . . XPLOR/CNS 2 distance NOE ambi 24 parsed_5irt 1
1 5irt.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_5irt 1
1 5irt.mr . . unknown 4 unknown "Not applicable" "Not applicable" 0 parsed_5irt 1
1 5irt.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5irt 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5irt
_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_5irt 1
2 1 . . . parsed_5irt 1
3 1 . . . parsed_5irt 1
4 1 . . . parsed_5irt 1
5 1 . . . parsed_5irt 1
6 1 . . . parsed_5irt 1
7 1 . . . parsed_5irt 1
8 1 . . . parsed_5irt 1
9 1 . . . parsed_5irt 1
10 1 . . . parsed_5irt 1
11 1 . . . parsed_5irt 1
12 1 . . . parsed_5irt 1
13 1 . . . parsed_5irt 1
14 1 . . . parsed_5irt 1
15 1 . . . parsed_5irt 1
16 1 . . . parsed_5irt 1
17 1 . . . parsed_5irt 1
18 1 . . . parsed_5irt 1
19 1 . . . parsed_5irt 1
20 1 . . . parsed_5irt 1
21 1 . . . parsed_5irt 1
22 1 . . . parsed_5irt 1
23 1 . . . parsed_5irt 1
24 1 . . . parsed_5irt 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 185 . N parsed_5irt 1
1 1 2 . . . . . . . . A 185 . CE parsed_5irt 1
2 1 1 . . . . . . . . B 185 . N parsed_5irt 1
2 1 2 . . . . . . . . B 185 . CE parsed_5irt 1
3 1 1 . . . . . . . . A 184 . N parsed_5irt 1
3 1 2 . . . . . . . . A 184 . CD1 parsed_5irt 1
4 1 1 . . . . . . . . B 184 . N parsed_5irt 1
4 1 2 . . . . . . . . B 184 . CD1 parsed_5irt 1
5 1 1 . . . . . . . . A 185 . CA parsed_5irt 1
5 1 2 . . . . . . . . A 185 . CE parsed_5irt 1
6 1 1 . . . . . . . . B 185 . CA parsed_5irt 1
6 1 2 . . . . . . . . B 185 . CE parsed_5irt 1
7 1 1 . . . . . . . . A 184 . NE1 parsed_5irt 1
7 1 2 . . . . . . . . B 185 . CE parsed_5irt 1
8 1 1 . . . . . . . . B 184 . NE1 parsed_5irt 1
8 1 2 . . . . . . . . A 185 . CE parsed_5irt 1
9 1 1 . . . . . . . . A 184 . CZ3 parsed_5irt 1
9 1 2 . . . . . . . . A 189 . CG parsed_5irt 1
10 1 1 . . . . . . . . B 184 . CZ3 parsed_5irt 1
10 1 2 . . . . . . . . B 189 . CG parsed_5irt 1
11 1 1 . . . . . . . . A 184 . CE3 parsed_5irt 1
11 1 2 . . . . . . . . A 189 . CG parsed_5irt 1
12 1 1 . . . . . . . . B 184 . CE3 parsed_5irt 1
12 1 2 . . . . . . . . B 189 . CG parsed_5irt 1
13 1 1 . . . . . . . . A 184 . CD1 parsed_5irt 1
13 1 2 . . . . . . . . A 189 . CG parsed_5irt 1
14 1 1 . . . . . . . . B 184 . CD1 parsed_5irt 1
14 1 2 . . . . . . . . B 189 . CG parsed_5irt 1
15 1 1 . . . . . . . . A 184 . CG parsed_5irt 1
15 1 2 . . . . . . . . A 189 . CG parsed_5irt 1
16 1 1 . . . . . . . . B 184 . CG parsed_5irt 1
16 1 2 . . . . . . . . B 189 . CG parsed_5irt 1
17 1 1 . . . . . . . . A 184 . CZ3 parsed_5irt 1
17 1 2 . . . . . . . . B 181 . CB parsed_5irt 1
18 1 1 . . . . . . . . B 184 . CZ3 parsed_5irt 1
18 1 2 . . . . . . . . A 181 . CB parsed_5irt 1
19 1 1 . . . . . . . . A 184 . CE3 parsed_5irt 1
19 1 2 . . . . . . . . B 181 . CB parsed_5irt 1
20 1 1 . . . . . . . . B 184 . CE3 parsed_5irt 1
20 1 2 . . . . . . . . A 181 . CB parsed_5irt 1
21 1 1 . . . . . . . . A 184 . CD1 parsed_5irt 1
21 1 2 . . . . . . . . B 181 . CB parsed_5irt 1
22 1 1 . . . . . . . . B 184 . CD1 parsed_5irt 1
22 1 2 . . . . . . . . A 181 . CB parsed_5irt 1
23 1 1 . . . . . . . . A 184 . CG parsed_5irt 1
23 1 2 . . . . . . . . B 181 . CB parsed_5irt 1
24 1 1 . . . . . . . . B 184 . CG parsed_5irt 1
24 1 2 . . . . . . . . A 181 . CB parsed_5irt 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 . . . . . 4.6 4.3 5.0 parsed_5irt 1
2 1 . . . . . 4.6 4.3 5.0 parsed_5irt 1
3 1 . . . . . 4.5 4.0 5.0 parsed_5irt 1
4 1 . . . . . 4.5 4.0 5.0 parsed_5irt 1
5 1 . . . . . 3.9 3.5 4.3 parsed_5irt 1
6 1 . . . . . 3.9 3.5 4.3 parsed_5irt 1
7 1 . . . . . 3.8 3.5 4.0 parsed_5irt 1
8 1 . . . . . 3.8 3.5 4.0 parsed_5irt 1
9 1 . . . . . 4.0 3.8 7.0 parsed_5irt 1
10 1 . . . . . 4.0 3.8 7.0 parsed_5irt 1
11 1 . . . . . 4.0 3.8 7.0 parsed_5irt 1
12 1 . . . . . 4.0 3.8 7.0 parsed_5irt 1
13 1 . . . . . 4.0 3.8 7.0 parsed_5irt 1
14 1 . . . . . 4.0 3.8 7.0 parsed_5irt 1
15 1 . . . . . 4.0 3.8 7.0 parsed_5irt 1
16 1 . . . . . 4.0 3.8 7.0 parsed_5irt 1
17 1 . . . . . 4.0 3.8 7.0 parsed_5irt 1
18 1 . . . . . 4.0 3.8 7.0 parsed_5irt 1
19 1 . . . . . 4.0 3.8 7.0 parsed_5irt 1
20 1 . . . . . 4.0 3.8 7.0 parsed_5irt 1
21 1 . . . . . 4.0 3.8 7.0 parsed_5irt 1
22 1 . . . . . 4.0 3.8 7.0 parsed_5irt 1
23 1 . . . . . 4.0 3.8 7.0 parsed_5irt 1
24 1 . . . . . 4.0 3.8 7.0 parsed_5irt 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 1: distance_all.tbl" 1 1 1 37 parsed_5irt 1
2 "[OR (resid 184 and name CZ3 and segid A)(resid 189 and name CG and segid B)]" 13 4 13 90 parsed_5irt 1
3 "[OR (resid 184 and name CZ3 and segid B)(resid 189 and name CG and segid A)]" 15 4 15 90 parsed_5irt 1
4 "[OR (resid 184 and name CE3 and segid A)(resid 189 and name CG and segid B)]" 18 4 18 90 parsed_5irt 1
5 "[OR (resid 184 and name CE3 and segid B)(resid 189 and name CG and segid A)]" 20 4 20 90 parsed_5irt 1
6 "[OR (resid 184 and name CD1 and segid A)(resid 189 and name CG and segid B)]" 23 4 23 90 parsed_5irt 1
7 "[OR (resid 184 and name CD1 and segid B)(resid 189 and name CG and segid A)]" 25 4 25 90 parsed_5irt 1
8 "[OR (resid 184 and name CG and segid A)(resid 189 and name CG and segid B)]" 28 4 28 90 parsed_5irt 1
9 "[OR (resid 184 and name CG and segid B)(resid 189 and name CG and segid A)]" 30 4 30 90 parsed_5irt 1
10 "[OR (resid 184 and name CZ3 and segid A)(resid 181 and name CB and segid A)]" 34 4 34 90 parsed_5irt 1
11 "[OR (resid 184 and name CZ3 and segid B)(resid 181 and name CB and segid B)]" 36 4 36 90 parsed_5irt 1
12 "[OR (resid 184 and name CE3 and segid A)(resid 181 and name CB and segid A)]" 39 4 39 90 parsed_5irt 1
13 "[OR (resid 184 and name CE3 and segid B)(resid 181 and name CB and segid B)]" 41 4 41 90 parsed_5irt 1
14 "[OR (resid 184 and name CD1 and segid A)(resid 181 and name CB and segid A)]" 44 4 44 90 parsed_5irt 1
15 "[OR (resid 184 and name CD1 and segid B)(resid 181 and name CB and segid B)]" 46 4 46 90 parsed_5irt 1
16 "[OR (resid 184 and name CG and segid A)(resid 181 and name CB and segid A)]" 49 4 49 90 parsed_5irt 1
17 "[OR (resid 184 and name CG and segid B)(resid 181 and name CB and segid B)]" 51 4 51 90 parsed_5irt 1
stop_
save_
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