NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
49368 |
2jss   |
15393 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 20 |
data_2jss_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jss
_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_2jss 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jss
_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 2jss "Master copy" parsed_2jss
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jss
_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 2jss.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jss 1
1 2jss.mr . . XPLOR/CNS 2 distance NOE simple 1162 parsed_2jss 1
1 2jss.mr . . XPLOR/CNS 3 distance NOE simple 343 parsed_2jss 1
1 2jss.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_2jss 1
1 2jss.mr . . XPLOR/CNS 5 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2jss 1
1 2jss.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 20 parsed_2jss 1
1 2jss.mr . . XPLOR/CNS 7 distance NOE simple 0 parsed_2jss 1
1 2jss.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2jss 1
1 2jss.mr . . XPLOR/CNS 9 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2jss 1
1 2jss.mr . . XPLOR/CNS 10 distance NOE simple 0 parsed_2jss 1
1 2jss.mr . . XPLOR/CNS 11 distance NOE simple 0 parsed_2jss 1
1 2jss.mr . . XPLOR/CNS 12 unknown "Not applicable" "Not applicable" 0 parsed_2jss 1
1 2jss.mr . . XPLOR/CNS 13 distance "hydrogen bond" simple 0 parsed_2jss 1
1 2jss.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jss 1
stop_
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2jss
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_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_2jss 1
2 1 . . . parsed_2jss 1
3 1 . . . parsed_2jss 1
4 1 . . . parsed_2jss 1
5 1 . . . parsed_2jss 1
6 1 . . . parsed_2jss 1
7 1 . . . parsed_2jss 1
8 1 . . . parsed_2jss 1
9 1 . . . parsed_2jss 1
10 1 . . . parsed_2jss 1
11 1 . . . parsed_2jss 1
12 1 . . . parsed_2jss 1
13 1 . . . parsed_2jss 1
14 1 . . . parsed_2jss 1
15 1 . . . parsed_2jss 1
16 1 . . . parsed_2jss 1
17 1 . . . parsed_2jss 1
18 1 . . . parsed_2jss 1
19 1 . . . parsed_2jss 1
20 1 . . . parsed_2jss 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 . . . . . . . . B 11 . o parsed_2jss 1
1 1 2 . . . . . . . . B 15 . hn parsed_2jss 1
2 1 1 . . . . . . . . B 11 . o parsed_2jss 1
2 1 2 . . . . . . . . B 15 . n parsed_2jss 1
3 1 1 . . . . . . . . B 12 . o parsed_2jss 1
3 1 2 . . . . . . . . B 16 . hn parsed_2jss 1
4 1 1 . . . . . . . . B 12 . o parsed_2jss 1
4 1 2 . . . . . . . . B 16 . n parsed_2jss 1
5 1 1 . . . . . . . . B 13 . o parsed_2jss 1
5 1 2 . . . . . . . . B 17 . hn parsed_2jss 1
6 1 1 . . . . . . . . B 13 . o parsed_2jss 1
6 1 2 . . . . . . . . B 17 . n parsed_2jss 1
7 1 1 . . . . . . . . B 34 . o parsed_2jss 1
7 1 2 . . . . . . . . B 38 . hn parsed_2jss 1
8 1 1 . . . . . . . . B 34 . o parsed_2jss 1
8 1 2 . . . . . . . . B 38 . n parsed_2jss 1
9 1 1 . . . . . . . . B 52 . o parsed_2jss 1
9 1 2 . . . . . . . . B 56 . hn parsed_2jss 1
10 1 1 . . . . . . . . B 52 . o parsed_2jss 1
10 1 2 . . . . . . . . B 56 . n parsed_2jss 1
11 1 1 . . . . . . . . B 53 . o parsed_2jss 1
11 1 2 . . . . . . . . B 57 . hn parsed_2jss 1
12 1 1 . . . . . . . . B 53 . o parsed_2jss 1
12 1 2 . . . . . . . . B 57 . n parsed_2jss 1
13 1 1 . . . . . . . . B 54 . o parsed_2jss 1
13 1 2 . . . . . . . . B 58 . hn parsed_2jss 1
14 1 1 . . . . . . . . B 54 . o parsed_2jss 1
14 1 2 . . . . . . . . B 58 . n parsed_2jss 1
15 1 1 . . . . . . . . B 55 . o parsed_2jss 1
15 1 2 . . . . . . . . B 59 . hn parsed_2jss 1
16 1 1 . . . . . . . . B 55 . o parsed_2jss 1
16 1 2 . . . . . . . . B 59 . n parsed_2jss 1
17 1 1 . . . . . . . . B 56 . o parsed_2jss 1
17 1 2 . . . . . . . . B 60 . hn parsed_2jss 1
18 1 1 . . . . . . . . B 56 . o parsed_2jss 1
18 1 2 . . . . . . . . B 60 . n parsed_2jss 1
19 1 1 . . . . . . . . B 57 . o parsed_2jss 1
19 1 2 . . . . . . . . B 61 . hn parsed_2jss 1
20 1 1 . . . . . . . . B 57 . o parsed_2jss 1
20 1 2 . . . . . . . . B 61 . n parsed_2jss 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 1.5 2.3 parsed_2jss 1
2 1 . . . . . 2.8 2.3 3.1 parsed_2jss 1
3 1 . . . . . 2.0 1.5 2.3 parsed_2jss 1
4 1 . . . . . 2.8 2.3 3.1 parsed_2jss 1
5 1 . . . . . 2.0 1.5 2.3 parsed_2jss 1
6 1 . . . . . 2.8 2.3 3.1 parsed_2jss 1
7 1 . . . . . 2.4 1.9 2.7 parsed_2jss 1
8 1 . . . . . 2.8 2.3 3.2 parsed_2jss 1
9 1 . . . . . 2.0 1.5 2.3 parsed_2jss 1
10 1 . . . . . 2.8 2.3 3.1 parsed_2jss 1
11 1 . . . . . 2.0 1.5 2.3 parsed_2jss 1
12 1 . . . . . 2.8 2.3 3.1 parsed_2jss 1
13 1 . . . . . 2.0 1.5 2.3 parsed_2jss 1
14 1 . . . . . 2.8 2.3 3.1 parsed_2jss 1
15 1 . . . . . 2.0 1.5 2.3 parsed_2jss 1
16 1 . . . . . 2.8 2.3 3.1 parsed_2jss 1
17 1 . . . . . 2.0 1.5 2.3 parsed_2jss 1
18 1 . . . . . 2.8 2.3 3.1 parsed_2jss 1
19 1 . . . . . 2.0 1.5 2.3 parsed_2jss 1
20 1 . . . . . 2.8 2.3 3.1 parsed_2jss 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
;
make_hbonds.nawk Table ! Date: Fri Oct 20 14:02:30 EDT 2006
Path: /home/fengh/My_xplor/h2btz_trim
alpha helices H-BOND constraints
@assign (segid B and resid 10 and name o )
@ (segid B and resid 14 and name hn ) 2.0 0.5 0.3
@assign (segid B and resid 10 and name o )
@ (segid B and resid 14 and name n ) 2.8 0.5 0.3
;
1 1 8 58 parsed_2jss 1
2
;
assign (segid B and resid 14 and name o )
(segid B and resid 18 and name hn ) 2.0 0.5 0.3
assign (segid B and resid 14 and name o )
(segid B and resid 18 and name n ) 2.8 0.5 0.3
assign (segid B and resid 29 and name o )
(segid B and resid 33 and name hn ) 2.0 0.5 0.3
assign (segid B and resid 29 and name o )
(segid B and resid 33 and name n ) 2.8 0.5 0.3
assign (segid B and resid 30 and name o )
(segid B and resid 34 and name hn ) 2.0 0.5 0.3
assign (segid B and resid 30 and name o )
(segid B and resid 34 and name n ) 2.8 0.5 0.3
assign (segid B and resid 31 and name o )
(segid B and resid 35 and name hn ) 2.0 0.5 0.3
assign (segid B and resid 31 and name o )
(segid B and resid 35 and name n ) 2.8 0.5 0.3
assign (segid B and resid 32 and name o )
(segid B and resid 36 and name hn ) 2.0 0.5 0.3
assign (segid B and resid 32 and name o )
(segid B and resid 36 and name n ) 2.8 0.5 0.3
assign (segid B and resid 33 and name o )
(segid B and resid 37 and name hn ) 2.0 0.5 0.3
assign (segid B and resid 33 and name o )
(segid B and resid 37 and name n ) 2.8 0.5 0.3
;
21 1 44 57 parsed_2jss 1
3
;
assign (segid B and resid 44 and name o )
(segid B and resid 48 and name hn ) 2.6 0.5 0.6
assign (segid B and resid 44 and name o )
(segid B and resid 48 and name n ) 3.2 0.5 0.8
assign (segid B and resid 45 and name o )
(segid B and resid 49 and name hn ) 2.4 0.5 0.4
assign (segid B and resid 45 and name o )
(segid B and resid 49 and name n ) 3.0 0.5 0.6
assign (segid B and resid 46 and name o )
(segid B and resid 50 and name hn ) 2.4 0.5 0.4
assign (segid B and resid 46 and name o )
(segid B and resid 50 and name n ) 3.0 0.5 0.6
assign (segid B and resid 47 and name o )
(segid B and resid 51 and name hn ) 2.4 0.5 0.4
assign (segid B and resid 47 and name o )
(segid B and resid 51 and name n ) 3.0 0.5 0.6
;
49 1 64 57 parsed_2jss 1
stop_
save_
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