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 |
|
|
643568 |
6so9   |
34428 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 28 |
data_6so9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6so9
_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_6so9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6so9
_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 6so9 "Master copy" parsed_6so9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6so9
_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 6so9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6so9 1
1 6so9.mr . . XPLOR/CNS 2 distance NOE ambi 3665 parsed_6so9 1
1 6so9.mr . . XPLOR/CNS 3 unknown "Not applicable" "Not applicable" 0 parsed_6so9 1
1 6so9.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 176 parsed_6so9 1
1 6so9.mr . . XPLOR/CNS 5 unknown "Not applicable" "Not applicable" 0 parsed_6so9 1
1 6so9.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 106 parsed_6so9 1
1 6so9.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 28 parsed_6so9 1
1 6so9.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_6so9 1
1 6so9.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6so9 1
stop_
save_
save_CNS/XPLOR_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6so9
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_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_6so9 1
2 1 . . . parsed_6so9 1
3 1 . . . parsed_6so9 1
4 1 . . . parsed_6so9 1
5 1 . . . parsed_6so9 1
6 1 . . . parsed_6so9 1
7 1 . . . parsed_6so9 1
8 1 . . . parsed_6so9 1
9 1 . . . parsed_6so9 1
10 1 . . . parsed_6so9 1
11 1 . . . parsed_6so9 1
12 1 . . . parsed_6so9 1
13 1 . . . parsed_6so9 1
14 1 . . . parsed_6so9 1
15 1 . . . parsed_6so9 1
16 1 . . . parsed_6so9 1
17 1 . . . parsed_6so9 1
18 1 . . . parsed_6so9 1
19 1 . . . parsed_6so9 1
20 1 . . . parsed_6so9 1
21 1 . . . parsed_6so9 1
22 1 . . . parsed_6so9 1
23 1 . . . parsed_6so9 1
24 1 . . . parsed_6so9 1
25 1 . . . parsed_6so9 1
26 1 . . . parsed_6so9 1
27 1 . . . parsed_6so9 1
28 1 . . . parsed_6so9 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 . . . . . . . . . 534 . O parsed_6so9 1
1 1 2 . . . . . . . . . 538 . N parsed_6so9 1
2 1 1 . . . . . . . . . 534 . O parsed_6so9 1
2 1 2 . . . . . . . . . 538 . HN parsed_6so9 1
3 1 1 . . . . . . . . . 535 . O parsed_6so9 1
3 1 2 . . . . . . . . . 539 . N parsed_6so9 1
4 1 1 . . . . . . . . . 535 . O parsed_6so9 1
4 1 2 . . . . . . . . . 539 . HN parsed_6so9 1
5 1 1 . . . . . . . . . 536 . O parsed_6so9 1
5 1 2 . . . . . . . . . 540 . N parsed_6so9 1
6 1 1 . . . . . . . . . 536 . O parsed_6so9 1
6 1 2 . . . . . . . . . 540 . HN parsed_6so9 1
7 1 1 . . . . . . . . . 537 . O parsed_6so9 1
7 1 2 . . . . . . . . . 541 . N parsed_6so9 1
8 1 1 . . . . . . . . . 537 . O parsed_6so9 1
8 1 2 . . . . . . . . . 541 . HN parsed_6so9 1
9 1 1 . . . . . . . . . 538 . O parsed_6so9 1
9 1 2 . . . . . . . . . 542 . N parsed_6so9 1
10 1 1 . . . . . . . . . 538 . O parsed_6so9 1
10 1 2 . . . . . . . . . 542 . HN parsed_6so9 1
11 1 1 . . . . . . . . . 534 . O parsed_6so9 1
11 1 2 . . . . . . . . . 538 . N parsed_6so9 1
12 1 1 . . . . . . . . . 534 . O parsed_6so9 1
12 1 2 . . . . . . . . . 538 . HN parsed_6so9 1
13 1 1 . . . . . . . . . 535 . O parsed_6so9 1
13 1 2 . . . . . . . . . 539 . N parsed_6so9 1
14 1 1 . . . . . . . . . 535 . O parsed_6so9 1
14 1 2 . . . . . . . . . 539 . HN parsed_6so9 1
15 1 1 . . . . . . . . . 536 . O parsed_6so9 1
15 1 2 . . . . . . . . . 540 . N parsed_6so9 1
16 1 1 . . . . . . . . . 536 . O parsed_6so9 1
16 1 2 . . . . . . . . . 540 . HN parsed_6so9 1
17 1 1 . . . . . . . . . 537 . O parsed_6so9 1
17 1 2 . . . . . . . . . 541 . N parsed_6so9 1
18 1 1 . . . . . . . . . 537 . O parsed_6so9 1
18 1 2 . . . . . . . . . 541 . HN parsed_6so9 1
19 1 1 . . . . . . . . . 609 . O parsed_6so9 1
19 1 2 . . . . . . . . . 613 . N parsed_6so9 1
20 1 1 . . . . . . . . . 609 . O parsed_6so9 1
20 1 2 . . . . . . . . . 613 . HN parsed_6so9 1
21 1 1 . . . . . . . . . 610 . O parsed_6so9 1
21 1 2 . . . . . . . . . 614 . N parsed_6so9 1
22 1 1 . . . . . . . . . 610 . O parsed_6so9 1
22 1 2 . . . . . . . . . 614 . HN parsed_6so9 1
23 1 1 . . . . . . . . . 611 . O parsed_6so9 1
23 1 2 . . . . . . . . . 615 . N parsed_6so9 1
24 1 1 . . . . . . . . . 611 . O parsed_6so9 1
24 1 2 . . . . . . . . . 615 . HN parsed_6so9 1
25 1 1 . . . . . . . . . 612 . O parsed_6so9 1
25 1 2 . . . . . . . . . 616 . N parsed_6so9 1
26 1 1 . . . . . . . . . 612 . O parsed_6so9 1
26 1 2 . . . . . . . . . 616 . HN parsed_6so9 1
27 1 1 . . . . . . . . . 613 . O parsed_6so9 1
27 1 2 . . . . . . . . . 617 . N parsed_6so9 1
28 1 1 . . . . . . . . . 613 . O parsed_6so9 1
28 1 2 . . . . . . . . . 617 . HN parsed_6so9 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 . . . . . 2.74 2.74 3.24 parsed_6so9 1
2 1 . . . . . 1.79 1.79 2.29 parsed_6so9 1
3 1 . . . . . 2.74 2.74 3.24 parsed_6so9 1
4 1 . . . . . 1.79 1.79 2.29 parsed_6so9 1
5 1 . . . . . 2.74 2.74 3.24 parsed_6so9 1
6 1 . . . . . 1.79 1.79 2.29 parsed_6so9 1
7 1 . . . . . 2.74 2.74 3.24 parsed_6so9 1
8 1 . . . . . 1.79 1.79 2.29 parsed_6so9 1
9 1 . . . . . 2.74 2.74 3.24 parsed_6so9 1
10 1 . . . . . 1.79 1.79 2.29 parsed_6so9 1
11 1 . . . . . 2.74 2.74 3.24 parsed_6so9 1
12 1 . . . . . 1.79 1.79 2.29 parsed_6so9 1
13 1 . . . . . 2.74 2.74 3.24 parsed_6so9 1
14 1 . . . . . 1.79 1.79 2.29 parsed_6so9 1
15 1 . . . . . 2.74 2.74 3.24 parsed_6so9 1
16 1 . . . . . 1.79 1.79 2.29 parsed_6so9 1
17 1 . . . . . 2.74 2.74 3.24 parsed_6so9 1
18 1 . . . . . 1.79 1.79 2.29 parsed_6so9 1
19 1 . . . . . 2.74 2.74 3.24 parsed_6so9 1
20 1 . . . . . 1.79 1.79 2.29 parsed_6so9 1
21 1 . . . . . 2.74 2.74 3.24 parsed_6so9 1
22 1 . . . . . 1.79 1.79 2.29 parsed_6so9 1
23 1 . . . . . 2.74 2.74 3.24 parsed_6so9 1
24 1 . . . . . 1.79 1.79 2.29 parsed_6so9 1
25 1 . . . . . 2.74 2.74 3.24 parsed_6so9 1
26 1 . . . . . 1.79 1.79 2.29 parsed_6so9 1
27 1 . . . . . 2.74 2.74 3.24 parsed_6so9 1
28 1 . . . . . 1.79 1.79 2.29 parsed_6so9 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
;
!
!a1-helix
!
;
2 1 4 3 parsed_6so9 1
2
;
!
!a2-helix
!
;
15 1 17 3 parsed_6so9 1
3
;
!
!a3-helix
!
assign ( residue 608 and name O ) ( residue 612 and name N ) 2.74 0.0 0.5
assign ( residue 608 and name O ) ( residue 612 and name HN ) 1.79 0.0 0.5
;
26 1 30 76 parsed_6so9 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 4: hbonds.tbl" 1 1 1 31 parsed_6so9 1
stop_
save_
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