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 |
|
|
627036 |
5w4s   |
30305 | cing | 2-parsed | STAR | distance | NOE | ambi | 31 |
data_5w4s_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5w4s
_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_5w4s 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5w4s
_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 5w4s "Master copy" parsed_5w4s
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5w4s
_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 5w4s.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5w4s 1
1 5w4s.mr . . XPLOR/CNS 2 distance NOE ambi 31 parsed_5w4s 1
1 5w4s.mr . . XPLOR/CNS 3 distance "general distance" simple 0 parsed_5w4s 1
1 5w4s.mr . . HADDOCK 4 distance NOE ambi 0 parsed_5w4s 1
1 5w4s.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5w4s 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5w4s
_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_5w4s 1
2 1 . . . parsed_5w4s 1
3 1 . . . parsed_5w4s 1
4 1 . . . parsed_5w4s 1
5 1 . . . parsed_5w4s 1
6 1 . . . parsed_5w4s 1
7 1 . . . parsed_5w4s 1
8 1 . . . parsed_5w4s 1
9 1 . . . parsed_5w4s 1
10 1 . . . parsed_5w4s 1
11 1 . . . parsed_5w4s 1
12 1 . . . parsed_5w4s 1
13 1 . . . parsed_5w4s 1
14 1 . . . parsed_5w4s 1
15 1 . . . parsed_5w4s 1
16 1 . . . parsed_5w4s 1
17 1 . . . parsed_5w4s 1
18 1 . . . parsed_5w4s 1
19 1 . . . parsed_5w4s 1
20 1 . . . parsed_5w4s 1
21 1 . . . parsed_5w4s 1
22 1 . . . parsed_5w4s 1
23 1 . . . parsed_5w4s 1
24 1 . . . parsed_5w4s 1
25 1 . . . parsed_5w4s 1
26 1 . . . parsed_5w4s 1
27 1 . . . parsed_5w4s 1
28 1 . . . parsed_5w4s 1
29 1 . . . parsed_5w4s 1
30 1 . . . parsed_5w4s 1
31 1 . . . parsed_5w4s 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 247 . HE1 parsed_5w4s 1
1 1 2 . . . . . . . . B 659 . H1 parsed_5w4s 1
2 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1
2 1 2 . . . . . . . . B 659 . H2 parsed_5w4s 1
3 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1
3 1 2 . . . . . . . . B 656 . HE1 parsed_5w4s 1
4 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1
4 1 2 . . . . . . . . B 656 . HD# parsed_5w4s 1
5 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1
5 1 2 . . . . . . . . B 658 . HN parsed_5w4s 1
6 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1
6 1 2 . . . . . . . . B 658 . HA parsed_5w4s 1
7 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1
7 1 2 . . . . . . . . B 656 . HA parsed_5w4s 1
8 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1
8 1 2 . . . . . . . . B 656 . HB2 parsed_5w4s 1
9 1 1 . . . . . . . . A 247 . HE1 parsed_5w4s 1
9 1 2 . . . . . . . . B 655 . HA2 parsed_5w4s 1
10 1 1 . . . . . . . . A 247 . HZ2 parsed_5w4s 1
10 1 2 . . . . . . . . B 657 . HB# parsed_5w4s 1
11 1 1 . . . . . . . . A 247 . HD1 parsed_5w4s 1
11 1 2 . . . . . . . . B 657 . HB# parsed_5w4s 1
12 1 1 . . . . . . . . A 247 . HH2 parsed_5w4s 1
12 1 2 . . . . . . . . A 252 . HB# parsed_5w4s 1
12 1 2 . . . . . . . . B 657 . HB# parsed_5w4s 1
13 1 1 . . . . . . . . A 247 . HZ2 parsed_5w4s 1
13 1 2 . . . . . . . . A 252 . HG# parsed_5w4s 1
14 1 1 . . . . . . . . A 247 . HZ2 parsed_5w4s 1
14 1 2 . . . . . . . . B 655 . HA# parsed_5w4s 1
15 1 1 . . . . . . . . A 247 . HZ2 parsed_5w4s 1
15 1 2 . . . . . . . . B 656 . HB# parsed_5w4s 1
16 1 1 . . . . . . . . A 253 . HN parsed_5w4s 1
16 1 2 . . . . . . . . B 653 . HD# parsed_5w4s 1
17 1 1 . . . . . . . . A 197 . HE2 parsed_5w4s 1
17 1 2 . . . . . . . . B 653 . HA parsed_5w4s 1
18 1 1 . . . . . . . . A 197 . HE2 parsed_5w4s 1
18 1 2 . . . . . . . . B 653 . HE1 parsed_5w4s 1
19 1 1 . . . . . . . . A 197 . HE2 parsed_5w4s 1
19 1 2 . . . . . . . . B 653 . HD# parsed_5w4s 1
20 1 1 . . . . . . . . A 252 . HD# parsed_5w4s 1
20 1 2 . . . . . . . . B 653 . HA parsed_5w4s 1
21 1 1 . . . . . . . . A 252 . HD# parsed_5w4s 1
21 1 2 . . . . . . . . B 653 . HE1 parsed_5w4s 1
22 1 1 . . . . . . . . A 252 . HD# parsed_5w4s 1
22 1 2 . . . . . . . . B 653 . HD# parsed_5w4s 1
23 1 1 . . . . . . . . A 252 . HG# parsed_5w4s 1
23 1 2 . . . . . . . . B 653 . HD# parsed_5w4s 1
24 1 1 . . . . . . . . A 252 . HA parsed_5w4s 1
24 1 2 . . . . . . . . B 656 . HD# parsed_5w4s 1
25 1 1 . . . . . . . . A 252 . HB# parsed_5w4s 1
25 1 2 . . . . . . . . B 656 . HD# parsed_5w4s 1
26 1 1 . . . . . . . . A 199 . HE# parsed_5w4s 1
26 1 2 . . . . . . . . B 653 . HA parsed_5w4s 1
27 1 1 . . . . . . . . A 199 . HE# parsed_5w4s 1
27 1 2 . . . . . . . . B 653 . HD1 parsed_5w4s 1
28 1 1 . . . . . . . . A 209 . HG# parsed_5w4s 1
28 1 2 . . . . . . . . B 653 . HE1 parsed_5w4s 1
29 1 1 . . . . . . . . A 211 . HE# parsed_5w4s 1
29 1 2 . . . . . . . . B 656 . HE2 parsed_5w4s 1
30 1 1 . . . . . . . . A 211 . HE# parsed_5w4s 1
30 1 2 . . . . . . . . B 656 . HA parsed_5w4s 1
31 1 1 . . . . . . . . A 214 . HN parsed_5w4s 1
31 1 2 . . . . . . . . B 656 . HE2 parsed_5w4s 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 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
2 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
3 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
4 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
5 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
6 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
7 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
8 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
9 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
10 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
11 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
12 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
13 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
14 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
15 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
16 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
17 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
18 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
19 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
20 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
21 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
22 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
23 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
24 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
25 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
26 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
27 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
28 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
29 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
30 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 1
31 1 . . . . . 4.0 1.8 6.5 parsed_5w4s 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 W247 3 1 3 8 parsed_5w4s 1
2 N253 19 104 21 7 parsed_5w4s 1
3 K197 22 102 24 6 parsed_5w4s 1
4 R252 27 102 29 6 parsed_5w4s 1
5 K199 35 102 37 6 parsed_5w4s 1
6 K209 39 102 41 6 parsed_5w4s 1
7 K211 42 102 44 6 parsed_5w4s 1
8 T214 46 102 48 7 parsed_5w4s 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: Restraints.tbl" 1 1 1 35 parsed_5w4s 1
stop_
save_
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