NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
569670 |
2ltr   |
17703 | cing | 2-parsed | STAR | distance | PRE | 33 |
data_2ltr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ltr
_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_2ltr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ltr
_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 2ltr "Master copy" parsed_2ltr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ltr
_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 2ltr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ltr 1
1 2ltr.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 182 parsed_2ltr 1
1 2ltr.mr . . XPLOR/CNS 3 distance NOE simple 416 parsed_2ltr 1
1 2ltr.mr . . XPLOR/CNS 4 distance PRE "Not applicable" 33 parsed_2ltr 1
1 2ltr.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ltr 1
1 2ltr.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_2ltr 1
1 2ltr.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ltr 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ltr
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type PRE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_2ltr 1
2 1 . . . parsed_2ltr 1
3 1 . . . parsed_2ltr 1
4 1 . . . parsed_2ltr 1
5 1 . . . parsed_2ltr 1
6 1 . . . parsed_2ltr 1
7 1 . . . parsed_2ltr 1
8 1 . . . parsed_2ltr 1
9 1 . . . parsed_2ltr 1
10 1 . . . parsed_2ltr 1
11 1 . . . parsed_2ltr 1
12 1 . . . parsed_2ltr 1
13 1 . . . parsed_2ltr 1
14 1 . . . parsed_2ltr 1
15 1 . . . parsed_2ltr 1
16 1 . . . parsed_2ltr 1
17 1 . . . parsed_2ltr 1
18 1 . . . parsed_2ltr 1
19 1 . . . parsed_2ltr 1
20 1 . . . parsed_2ltr 1
21 1 . . . parsed_2ltr 1
22 1 . . . parsed_2ltr 1
23 1 . . . parsed_2ltr 1
24 1 . . . parsed_2ltr 1
25 1 . . . parsed_2ltr 1
26 1 . . . parsed_2ltr 1
27 1 . . . parsed_2ltr 1
28 1 . . . parsed_2ltr 1
29 1 . . . parsed_2ltr 1
30 1 . . . parsed_2ltr 1
31 1 . . . parsed_2ltr 1
32 1 . . . parsed_2ltr 1
33 1 . . . parsed_2ltr 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 . . . . . . . . . 32 . CB parsed_2ltr 1
1 1 2 . . . . . . . . . 114 . HN parsed_2ltr 1
2 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
2 1 2 . . . . . . . . . 36 . HN parsed_2ltr 1
3 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
3 1 2 . . . . . . . . . 55 . HN parsed_2ltr 1
4 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
4 1 2 . . . . . . . . . 53 . HN parsed_2ltr 1
5 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
5 1 2 . . . . . . . . . 40 . HN parsed_2ltr 1
6 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
6 1 2 . . . . . . . . . 41 . HN parsed_2ltr 1
7 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
7 1 2 . . . . . . . . . 118 . HN parsed_2ltr 1
8 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
8 1 2 . . . . . . . . . 57 . HN parsed_2ltr 1
9 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
9 1 2 . . . . . . . . . 52 . HN parsed_2ltr 1
10 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
10 1 2 . . . . . . . . . 119 . HN parsed_2ltr 1
11 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
11 1 2 . . . . . . . . . 112 . HN parsed_2ltr 1
12 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
12 1 2 . . . . . . . . . 117 . HN parsed_2ltr 1
13 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
13 1 2 . . . . . . . . . 49 . HN parsed_2ltr 1
14 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
14 1 2 . . . . . . . . . 51 . HN parsed_2ltr 1
15 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
15 1 2 . . . . . . . . . 35 . HN parsed_2ltr 1
16 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
16 1 2 . . . . . . . . . 38 . HN parsed_2ltr 1
17 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
17 1 2 . . . . . . . . . 123 . HN parsed_2ltr 1
18 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
18 1 2 . . . . . . . . . 43 . HN parsed_2ltr 1
19 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
19 1 2 . . . . . . . . . 37 . HN parsed_2ltr 1
20 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
20 1 2 . . . . . . . . . 56 . HN parsed_2ltr 1
21 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
21 1 2 . . . . . . . . . 47 . HN parsed_2ltr 1
22 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
22 1 2 . . . . . . . . . 115 . HN parsed_2ltr 1
23 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
23 1 2 . . . . . . . . . 48 . HN parsed_2ltr 1
24 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
24 1 2 . . . . . . . . . 46 . HN parsed_2ltr 1
25 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
25 1 2 . . . . . . . . . 58 . HN parsed_2ltr 1
26 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
26 1 2 . . . . . . . . . 113 . HN parsed_2ltr 1
27 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
27 1 2 . . . . . . . . . 42 . HN parsed_2ltr 1
28 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
28 1 2 . . . . . . . . . 130 . HN parsed_2ltr 1
29 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
29 1 2 . . . . . . . . . 120 . HN parsed_2ltr 1
30 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
30 1 2 . . . . . . . . . 54 . HN parsed_2ltr 1
31 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
31 1 2 . . . . . . . . . 129 . HN parsed_2ltr 1
32 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
32 1 2 . . . . . . . . . 125 . HN parsed_2ltr 1
33 1 1 . . . . . . . . . 32 . CB parsed_2ltr 1
33 1 2 . . . . . . . . . 45 . HN parsed_2ltr 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 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
2 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
3 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
4 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
5 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
6 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
7 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
8 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
9 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
10 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
11 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
12 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
13 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
14 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
15 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
16 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
17 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
18 1 . . . . . 10.0 5.0 15.0 parsed_2ltr 1
19 1 . . . . . 12.0 7.0 17.0 parsed_2ltr 1
20 1 . . . . . 12.0 7.0 17.0 parsed_2ltr 1
21 1 . . . . . 12.0 7.0 17.0 parsed_2ltr 1
22 1 . . . . . 12.0 7.0 17.0 parsed_2ltr 1
23 1 . . . . . 12.0 7.0 17.0 parsed_2ltr 1
24 1 . . . . . 12.0 7.0 17.0 parsed_2ltr 1
25 1 . . . . . 14.0 9.0 19.0 parsed_2ltr 1
26 1 . . . . . 14.0 9.0 19.0 parsed_2ltr 1
27 1 . . . . . 14.0 9.0 19.0 parsed_2ltr 1
28 1 . . . . . 16.0 11.0 21.0 parsed_2ltr 1
29 1 . . . . . 16.0 11.0 21.0 parsed_2ltr 1
30 1 . . . . . 18.0 10.0 23.0 parsed_2ltr 1
31 1 . . . . . 20.0 15.0 25.0 parsed_2ltr 1
32 1 . . . . . 20.0 15.0 25.0 parsed_2ltr 1
33 1 . . . . . 20.0 15.0 25.0 parsed_2ltr 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 !N32C-PRE 1 1 1 11 parsed_2ltr 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
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 36 and name N )
( resid 36 and name HN ) -2.4541 2.0000
;
35 73 40 52 parsed_2ltr 1
stop_
save_
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