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 |
|
|
49453 |
2jtm   |
15415 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 30 |
data_2jtm_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jtm
_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_2jtm 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jtm
_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 2jtm "Master copy" parsed_2jtm
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jtm
_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 2jtm.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jtm 1
1 2jtm.mr . . XPLOR/CNS 2 distance NOE simple 1623 parsed_2jtm 1
1 2jtm.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 30 parsed_2jtm 1
1 2jtm.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2jtm 1
1 2jtm.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jtm 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2jtm
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_2jtm 1
2 1 . . . parsed_2jtm 1
3 1 . . . parsed_2jtm 1
4 1 . . . parsed_2jtm 1
5 1 . . . parsed_2jtm 1
6 1 . . . parsed_2jtm 1
7 1 . . . parsed_2jtm 1
8 1 . . . parsed_2jtm 1
9 1 . . . parsed_2jtm 1
10 1 . . . parsed_2jtm 1
11 1 . . . parsed_2jtm 1
12 1 . . . parsed_2jtm 1
13 1 . . . parsed_2jtm 1
14 1 . . . parsed_2jtm 1
15 1 . . . parsed_2jtm 1
16 1 . . . parsed_2jtm 1
17 1 . . . parsed_2jtm 1
18 1 . . . parsed_2jtm 1
19 1 . . . parsed_2jtm 1
20 1 . . . parsed_2jtm 1
21 1 . . . parsed_2jtm 1
22 1 . . . parsed_2jtm 1
23 1 . . . parsed_2jtm 1
24 1 . . . parsed_2jtm 1
25 1 . . . parsed_2jtm 1
26 1 . . . parsed_2jtm 1
27 1 . . . parsed_2jtm 1
28 1 . . . parsed_2jtm 1
29 1 . . . parsed_2jtm 1
30 1 . . . parsed_2jtm 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 . . . . . . . . . 20 . o parsed_2jtm 1
1 1 2 . . . . . . . . . 8 . hn parsed_2jtm 1
2 1 1 . . . . . . . . . 20 . o parsed_2jtm 1
2 1 2 . . . . . . . . . 8 . n parsed_2jtm 1
3 1 1 . . . . . . . . . 8 . o parsed_2jtm 1
3 1 2 . . . . . . . . . 20 . hn parsed_2jtm 1
4 1 1 . . . . . . . . . 8 . o parsed_2jtm 1
4 1 2 . . . . . . . . . 20 . n parsed_2jtm 1
5 1 1 . . . . . . . . . 18 . o parsed_2jtm 1
5 1 2 . . . . . . . . . 10 . hn parsed_2jtm 1
6 1 1 . . . . . . . . . 18 . o parsed_2jtm 1
6 1 2 . . . . . . . . . 10 . n parsed_2jtm 1
7 1 1 . . . . . . . . . 10 . o parsed_2jtm 1
7 1 2 . . . . . . . . . 18 . hn parsed_2jtm 1
8 1 1 . . . . . . . . . 10 . o parsed_2jtm 1
8 1 2 . . . . . . . . . 18 . n parsed_2jtm 1
9 1 1 . . . . . . . . . 16 . o parsed_2jtm 1
9 1 2 . . . . . . . . . 12 . hn parsed_2jtm 1
10 1 1 . . . . . . . . . 16 . o parsed_2jtm 1
10 1 2 . . . . . . . . . 12 . n parsed_2jtm 1
11 1 1 . . . . . . . . . 24 . o parsed_2jtm 1
11 1 2 . . . . . . . . . 40 . hn parsed_2jtm 1
12 1 1 . . . . . . . . . 24 . o parsed_2jtm 1
12 1 2 . . . . . . . . . 40 . n parsed_2jtm 1
13 1 1 . . . . . . . . . 38 . o parsed_2jtm 1
13 1 2 . . . . . . . . . 26 . hn parsed_2jtm 1
14 1 1 . . . . . . . . . 38 . o parsed_2jtm 1
14 1 2 . . . . . . . . . 26 . n parsed_2jtm 1
15 1 1 . . . . . . . . . 26 . o parsed_2jtm 1
15 1 2 . . . . . . . . . 38 . hn parsed_2jtm 1
16 1 1 . . . . . . . . . 26 . o parsed_2jtm 1
16 1 2 . . . . . . . . . 38 . n parsed_2jtm 1
17 1 1 . . . . . . . . . 36 . o parsed_2jtm 1
17 1 2 . . . . . . . . . 28 . hn parsed_2jtm 1
18 1 1 . . . . . . . . . 36 . o parsed_2jtm 1
18 1 2 . . . . . . . . . 28 . n parsed_2jtm 1
19 1 1 . . . . . . . . . 48 . o parsed_2jtm 1
19 1 2 . . . . . . . . . 43 . hn parsed_2jtm 1
20 1 1 . . . . . . . . . 48 . o parsed_2jtm 1
20 1 2 . . . . . . . . . 43 . n parsed_2jtm 1
21 1 1 . . . . . . . . . 41 . o parsed_2jtm 1
21 1 2 . . . . . . . . . 50 . hn parsed_2jtm 1
22 1 1 . . . . . . . . . 41 . o parsed_2jtm 1
22 1 2 . . . . . . . . . 50 . n parsed_2jtm 1
23 1 1 . . . . . . . . . 50 . o parsed_2jtm 1
23 1 2 . . . . . . . . . 41 . hn parsed_2jtm 1
24 1 1 . . . . . . . . . 50 . o parsed_2jtm 1
24 1 2 . . . . . . . . . 41 . n parsed_2jtm 1
25 1 1 . . . . . . . . . 39 . o parsed_2jtm 1
25 1 2 . . . . . . . . . 52 . hn parsed_2jtm 1
26 1 1 . . . . . . . . . 39 . o parsed_2jtm 1
26 1 2 . . . . . . . . . 52 . n parsed_2jtm 1
27 1 1 . . . . . . . . . 52 . o parsed_2jtm 1
27 1 2 . . . . . . . . . 39 . hn parsed_2jtm 1
28 1 1 . . . . . . . . . 52 . o parsed_2jtm 1
28 1 2 . . . . . . . . . 39 . n parsed_2jtm 1
29 1 1 . . . . . . . . . 37 . o parsed_2jtm 1
29 1 2 . . . . . . . . . 54 . hn parsed_2jtm 1
30 1 1 . . . . . . . . . 37 . o parsed_2jtm 1
30 1 2 . . . . . . . . . 54 . n parsed_2jtm 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 . . . . . 2.0 1.6 2.4 parsed_2jtm 1
2 1 . . . . . 3.0 2.6 3.4 parsed_2jtm 1
3 1 . . . . . 2.0 1.6 2.4 parsed_2jtm 1
4 1 . . . . . 3.0 2.6 3.4 parsed_2jtm 1
5 1 . . . . . 2.0 1.6 2.4 parsed_2jtm 1
6 1 . . . . . 3.0 2.6 3.4 parsed_2jtm 1
7 1 . . . . . 2.0 1.6 2.4 parsed_2jtm 1
8 1 . . . . . 3.0 2.6 3.4 parsed_2jtm 1
9 1 . . . . . 2.0 1.6 2.4 parsed_2jtm 1
10 1 . . . . . 3.0 2.6 3.4 parsed_2jtm 1
11 1 . . . . . 2.0 1.6 2.4 parsed_2jtm 1
12 1 . . . . . 3.0 2.6 3.4 parsed_2jtm 1
13 1 . . . . . 2.0 1.6 2.4 parsed_2jtm 1
14 1 . . . . . 3.0 2.6 3.4 parsed_2jtm 1
15 1 . . . . . 2.0 1.6 2.4 parsed_2jtm 1
16 1 . . . . . 3.0 2.6 3.4 parsed_2jtm 1
17 1 . . . . . 2.0 1.6 2.4 parsed_2jtm 1
18 1 . . . . . 3.0 2.6 3.4 parsed_2jtm 1
19 1 . . . . . 2.0 1.6 2.4 parsed_2jtm 1
20 1 . . . . . 3.0 2.6 3.4 parsed_2jtm 1
21 1 . . . . . 2.0 1.6 2.4 parsed_2jtm 1
22 1 . . . . . 3.0 2.6 3.4 parsed_2jtm 1
23 1 . . . . . 2.0 1.6 2.4 parsed_2jtm 1
24 1 . . . . . 3.0 2.6 3.4 parsed_2jtm 1
25 1 . . . . . 2.0 1.6 2.4 parsed_2jtm 1
26 1 . . . . . 3.0 2.6 3.4 parsed_2jtm 1
27 1 . . . . . 2.0 1.6 2.4 parsed_2jtm 1
28 1 . . . . . 3.0 2.6 3.4 parsed_2jtm 1
29 1 . . . . . 2.0 1.6 2.4 parsed_2jtm 1
30 1 . . . . . 3.0 2.6 3.4 parsed_2jtm 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 beta1-beta2 1 1 1 13 parsed_2jtm 1
2 hbond 2 67 2 73 parsed_2jtm 1
3 hbond 3 66 3 72 parsed_2jtm 1
4 hbond 4 67 4 73 parsed_2jtm 1
5 hbond 5 66 5 72 parsed_2jtm 1
6 hbond 6 68 6 74 parsed_2jtm 1
7 hbond 7 67 7 73 parsed_2jtm 1
8 hbond 8 68 8 74 parsed_2jtm 1
9 hbond 9 67 9 73 parsed_2jtm 1
10 hbond 10 68 10 74 parsed_2jtm 1
11
;
hbond
beta3-beta4
assign (resid 40 and name o ) (resid 23 and name hn ) 2.0 0.4 0.4 !hbond?
assign (resid 40 and name o ) (resid 23 and name n ) 3.0 0.4 0.4 !hbond?
;
11 67 15 75 parsed_2jtm 1
12 hbond 16 68 16 74 parsed_2jtm 1
13 hbond 17 67 17 73 parsed_2jtm 1
14 hbond 18 68 18 74 parsed_2jtm 1
15 hbond 19 67 19 73 parsed_2jtm 1
16 hbond 20 68 20 74 parsed_2jtm 1
17 hbond 21 67 21 73 parsed_2jtm 1
18 hbond 22 68 22 74 parsed_2jtm 1
19
;
hbond
assign (resid 28 and name o ) (resid 36 and name hn ) 2.0 0.4 0.4 !hbond
assign (resid 28 and name o ) (resid 36 and name n ) 3.0 0.4 0.4 !hbond
beta4-beta5
;
23 67 27 13 parsed_2jtm 1
20 hbond? 28 68 28 75 parsed_2jtm 1
21 hbond? 29 67 29 74 parsed_2jtm 1
22 hbond 30 68 30 74 parsed_2jtm 1
23 hbond 31 67 31 73 parsed_2jtm 1
24 hbond 32 68 32 74 parsed_2jtm 1
25 hbond 33 67 33 73 parsed_2jtm 1
26 hbond 34 68 34 74 parsed_2jtm 1
27 hbond 35 67 35 73 parsed_2jtm 1
28 hbond 36 68 36 74 parsed_2jtm 1
29 hbond 37 67 37 73 parsed_2jtm 1
30 hbond 38 68 38 74 parsed_2jtm 1
31 hbond 39 67 39 73 parsed_2jtm 1
stop_
save_
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