NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
48451 |
2j4n   |
7285 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 24 |
data_2j4n_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2j4n
_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_2j4n 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2j4n
_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 2j4n "Master copy" parsed_2j4n
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2j4n
_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 2j4n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2j4n 1
1 2j4n.mr . . XPLOR/CNS 2 distance NOE simple 1789 parsed_2j4n 1
1 2j4n.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 145 parsed_2j4n 1
1 2j4n.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 24 parsed_2j4n 1
1 2j4n.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2j4n 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2j4n
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_2j4n 1
2 1 . . . parsed_2j4n 1
3 1 . . . parsed_2j4n 1
4 1 . . . parsed_2j4n 1
5 1 . . . parsed_2j4n 1
6 1 . . . parsed_2j4n 1
7 1 . . . parsed_2j4n 1
8 1 . . . parsed_2j4n 1
9 1 . . . parsed_2j4n 1
10 1 . . . parsed_2j4n 1
11 1 . . . parsed_2j4n 1
12 1 . . . parsed_2j4n 1
13 1 . . . parsed_2j4n 1
14 1 . . . parsed_2j4n 1
15 1 . . . parsed_2j4n 1
16 1 . . . parsed_2j4n 1
17 1 . . . parsed_2j4n 1
18 1 . . . parsed_2j4n 1
19 1 . . . parsed_2j4n 1
20 1 . . . parsed_2j4n 1
21 1 . . . parsed_2j4n 1
22 1 . . . parsed_2j4n 1
23 1 . . . parsed_2j4n 1
24 1 . . . parsed_2j4n 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 . . . . . . . . . 11 . HN parsed_2j4n 1
1 1 2 . . . . . . . . . 6 . O parsed_2j4n 1
2 1 1 . . . . . . . . . 11 . N parsed_2j4n 1
2 1 2 . . . . . . . . . 6 . O parsed_2j4n 1
3 1 1 . . . . . . . . . 34 . HN parsed_2j4n 1
3 1 2 . . . . . . . . . 37 . O parsed_2j4n 1
4 1 1 . . . . . . . . . 34 . N parsed_2j4n 1
4 1 2 . . . . . . . . . 37 . O parsed_2j4n 1
5 1 1 . . . . . . . . . 32 . HN parsed_2j4n 1
5 1 2 . . . . . . . . . 39 . O parsed_2j4n 1
6 1 1 . . . . . . . . . 32 . N parsed_2j4n 1
6 1 2 . . . . . . . . . 39 . O parsed_2j4n 1
7 1 1 . . . . . . . . . 39 . HN parsed_2j4n 1
7 1 2 . . . . . . . . . 32 . O parsed_2j4n 1
8 1 1 . . . . . . . . . 39 . N parsed_2j4n 1
8 1 2 . . . . . . . . . 32 . O parsed_2j4n 1
9 1 1 . . . . . . . . . 24 . HN parsed_2j4n 1
9 1 2 . . . . . . . . . 31 . O parsed_2j4n 1
10 1 1 . . . . . . . . . 24 . N parsed_2j4n 1
10 1 2 . . . . . . . . . 31 . O parsed_2j4n 1
11 1 1 . . . . . . . . . 26 . HN parsed_2j4n 1
11 1 2 . . . . . . . . . 29 . O parsed_2j4n 1
12 1 1 . . . . . . . . . 26 . N parsed_2j4n 1
12 1 2 . . . . . . . . . 29 . O parsed_2j4n 1
13 1 1 . . . . . . . . . 70 . HN parsed_2j4n 1
13 1 2 . . . . . . . . . 77 . O parsed_2j4n 1
14 1 1 . . . . . . . . . 70 . N parsed_2j4n 1
14 1 2 . . . . . . . . . 77 . O parsed_2j4n 1
15 1 1 . . . . . . . . . 77 . HN parsed_2j4n 1
15 1 2 . . . . . . . . . 70 . O parsed_2j4n 1
16 1 1 . . . . . . . . . 77 . N parsed_2j4n 1
16 1 2 . . . . . . . . . 70 . O parsed_2j4n 1
17 1 1 . . . . . . . . . 72 . HN parsed_2j4n 1
17 1 2 . . . . . . . . . 75 . O parsed_2j4n 1
18 1 1 . . . . . . . . . 72 . N parsed_2j4n 1
18 1 2 . . . . . . . . . 75 . O parsed_2j4n 1
19 1 1 . . . . . . . . . 85 . HN parsed_2j4n 1
19 1 2 . . . . . . . . . 78 . O parsed_2j4n 1
20 1 1 . . . . . . . . . 85 . N parsed_2j4n 1
20 1 2 . . . . . . . . . 78 . O parsed_2j4n 1
21 1 1 . . . . . . . . . 78 . HN parsed_2j4n 1
21 1 2 . . . . . . . . . 85 . O parsed_2j4n 1
22 1 1 . . . . . . . . . 78 . N parsed_2j4n 1
22 1 2 . . . . . . . . . 85 . O parsed_2j4n 1
23 1 1 . . . . . . . . . 80 . HN parsed_2j4n 1
23 1 2 . . . . . . . . . 83 . O parsed_2j4n 1
24 1 1 . . . . . . . . . 80 . N parsed_2j4n 1
24 1 2 . . . . . . . . . 83 . O parsed_2j4n 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 . . . . . 2.3 1.8 2.5 parsed_2j4n 1
2 1 . . . . . 3.3 2.5 3.5 parsed_2j4n 1
3 1 . . . . . 2.3 1.8 2.5 parsed_2j4n 1
4 1 . . . . . 3.3 2.5 3.5 parsed_2j4n 1
5 1 . . . . . 2.3 1.8 2.5 parsed_2j4n 1
6 1 . . . . . 3.3 2.5 3.5 parsed_2j4n 1
7 1 . . . . . 2.3 1.8 2.5 parsed_2j4n 1
8 1 . . . . . 3.3 2.5 3.5 parsed_2j4n 1
9 1 . . . . . 2.3 1.8 2.5 parsed_2j4n 1
10 1 . . . . . 3.3 2.5 3.5 parsed_2j4n 1
11 1 . . . . . 2.3 1.8 2.5 parsed_2j4n 1
12 1 . . . . . 3.3 2.5 3.5 parsed_2j4n 1
13 1 . . . . . 2.3 1.8 2.5 parsed_2j4n 1
14 1 . . . . . 3.3 2.5 3.5 parsed_2j4n 1
15 1 . . . . . 2.3 1.8 2.5 parsed_2j4n 1
16 1 . . . . . 3.3 2.5 3.5 parsed_2j4n 1
17 1 . . . . . 2.3 1.8 2.5 parsed_2j4n 1
18 1 . . . . . 3.3 2.5 3.5 parsed_2j4n 1
19 1 . . . . . 2.3 1.8 2.5 parsed_2j4n 1
20 1 . . . . . 3.3 2.5 3.5 parsed_2j4n 1
21 1 . . . . . 2.3 1.8 2.5 parsed_2j4n 1
22 1 . . . . . 3.3 2.5 3.5 parsed_2j4n 1
23 1 . . . . . 2.3 1.8 2.5 parsed_2j4n 1
24 1 . . . . . 3.3 2.5 3.5 parsed_2j4n 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 "Hydrogen bonds added 19 May 04" 1 1 3 2 parsed_2j4n 1
2
;
Removed 10mar05
assign (resid 12 and name HN )(resid 38 and name O ) 2.3 0.5 0.2
assign (resid 12 and name N )(resid 38 and name O ) 3.3 0.8 0.2
Removed 10mar05
assign (resid 38 and name HN )(resid 12 and name O ) 2.3 0.5 0.2
assign (resid 38 and name N )(resid 12 and name O ) 3.3 0.8 0.2
;
7 1 13 79 parsed_2j4n 1
3
;
01feb05 removed
assign (resid 33 and name HN )(resid 21 and name O ) 2.3 0.5 0.2
assign (resid 33 and name N )(resid 21 and name O ) 3.3 0.8 0.2
Changed from 23 to 24 on 10mar05
;
24 1 28 34 parsed_2j4n 1
4
;
01feb05 removed
assign (resid 60 and name HN )(resid 55 and name O ) 2.3 0.5 0.2
assign (resid 60 and name N )(resid 55 and name O ) 3.3 0.8 0.2
Removed 10mar05
assign (resid 84 and name HN )(resid 61 and name O ) 2.3 0.5 0.2
assign (resid 84 and name N )(resid 61 and name O ) 3.3 0.8 0.2
Added 10mar05
;
35 1 43 15 parsed_2j4n 1
5 "Added 10mar05" 47 1 47 15 parsed_2j4n 1
6
;
01feb05 removed
assign (resid 79 and name HN )(resid 67 and name O ) 2.3 0.5 0.2
assign (resid 79 and name N )(resid 67 and name O ) 3.3 0.8 0.2
01feb05 removed
assign (resid 69 and name HN )(resid 77 and name O ) 2.3 0.5 0.2
assign (resid 69 and name N )(resid 77 and name O ) 3.3 0.8 0.2
;
60 1 66 79 parsed_2j4n 1
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 5:39:51 AM GMT (wattos1)