NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
35311 |
1las   |
cing | 2-parsed | STAR | distance | NOE | ambi | 18 |
data_1las_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1las
_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_1las 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1las
_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 1las "Master copy" parsed_1las
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1las
_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 1las.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1las 1
1 1las.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1las 1
1 1las.mr . . XPLOR/CNS 3 distance NOE ambi 182 parsed_1las 1
1 1las.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1las 1
1 1las.mr . . XPLOR/CNS 5 distance NOE ambi 140 parsed_1las 1
1 1las.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1las 1
1 1las.mr . . XPLOR/CNS 7 distance NOE ambi 188 parsed_1las 1
1 1las.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1las 1
1 1las.mr . . XPLOR/CNS 9 distance NOE ambi 59 parsed_1las 1
1 1las.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1las 1
1 1las.mr . . XPLOR/CNS 11 distance NOE ambi 18 parsed_1las 1
1 1las.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1las 1
1 1las.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1las 1
1 1las.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1las 1
1 1las.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1las 1
1 1las.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1las 1
1 1las.mr . . XPLOR/CNS 17 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1las 1
1 1las.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 parsed_1las 1
1 1las.mr . . "MR format" 19 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1las 1
stop_
save_
save_CNS/XPLOR_distance_constraints_11
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1las
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 11
_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_1las 1
2 1 . . . parsed_1las 1
3 1 . . . parsed_1las 1
4 1 . . . parsed_1las 1
5 1 . . . parsed_1las 1
6 1 . . . parsed_1las 1
7 1 . . . parsed_1las 1
8 1 . . . parsed_1las 1
9 1 . . . parsed_1las 1
10 1 . . . parsed_1las 1
11 1 . . . parsed_1las 1
12 1 . . . parsed_1las 1
13 1 . . . parsed_1las 1
14 1 . . . parsed_1las 1
15 1 . . . parsed_1las 1
16 1 . . . parsed_1las 1
17 1 . . . parsed_1las 1
18 1 . . . parsed_1las 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 . . . . . . . . . 1 . H1' parsed_1las 1
1 1 2 . . . . . . . . . 2 . H2' parsed_1las 1
2 1 1 . . . . . . . . . 5 . H8 parsed_1las 1
2 1 2 . . . . . . . . . 4 . H4' parsed_1las 1
3 1 1 . . . . . . . . . 6 . H3' parsed_1las 1
3 1 2 . . . . . . . . . 6 . H4' parsed_1las 1
4 1 1 . . . . . . . . . 6 . H5' parsed_1las 1
4 1 1 . . . . . . . . . 6 . H5'' parsed_1las 1
4 1 2 . . . . . . . . . 6 . H3' parsed_1las 1
5 1 1 . . . . . . . . . 9 . H3' parsed_1las 1
5 1 2 . . . . . . . . . 9 . H4' parsed_1las 1
6 1 1 . . . . . . . . . 9 . H5' parsed_1las 1
6 1 1 . . . . . . . . . 9 . H5'' parsed_1las 1
6 1 2 . . . . . . . . . 9 . H3' parsed_1las 1
7 1 1 . . . . . . . . . 11 . H1' parsed_1las 1
7 1 2 . . . . . . . . . 12 . H3' parsed_1las 1
8 1 1 . . . . . . . . . 12 . H6 parsed_1las 1
8 1 2 . . . . . . . . . 12 . H4' parsed_1las 1
9 1 1 . . . . . . . . . 12 . H3' parsed_1las 1
9 1 2 . . . . . . . . . 12 . H4' parsed_1las 1
10 1 1 . . . . . . . . . 14 . H1' parsed_1las 1
10 1 2 . . . . . . . . . 15 . H2' parsed_1las 1
11 1 1 . . . . . . . . . 16 . H2' parsed_1las 1
11 1 2 . . . . . . . . . 16 . H3' parsed_1las 1
12 1 1 . . . . . . . . . 16 . H2'' parsed_1las 1
12 1 2 . . . . . . . . . 16 . H3' parsed_1las 1
13 1 1 . . . . . . . . . 21 . H3' parsed_1las 1
13 1 2 . . . . . . . . . 21 . H4' parsed_1las 1
14 1 1 . . . . . . . . . 22 . H6 parsed_1las 1
14 1 2 . . . . . . . . . 23 . H5 parsed_1las 1
15 1 1 . . . . . . . . . 23 . H6 parsed_1las 1
15 1 2 . . . . . . . . . 23 . H1' parsed_1las 1
16 1 1 . . . . . . . . . 24 . H1' parsed_1las 1
16 1 2 . . . . . . . . . 25 . H3' parsed_1las 1
17 1 1 . . . . . . . . . 25 . H6 parsed_1las 1
17 1 2 . . . . . . . . . 25 . H4' parsed_1las 1
18 1 1 . . . . . . . . . 25 . H3' parsed_1las 1
18 1 2 . . . . . . . . . 25 . H4' parsed_1las 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 . . . . . 4.08 3.16 5.00 parsed_1las 1
2 1 . . . . . 4.37 2.94 5.80 parsed_1las 1
3 1 . . . . . 2.40 2.00 2.80 parsed_1las 1
4 1 . . . . . 2.90 2.25 3.55 parsed_1las 1
5 1 . . . . . 2.39 1.97 2.81 parsed_1las 1
6 1 . . . . . 3.00 2.25 3.75 parsed_1las 1
7 1 . . . . . 4.58 3.15 6.00 parsed_1las 1
8 1 . . . . . 3.55 2.52 4.59 parsed_1las 1
9 1 . . . . . 2.45 1.92 2.97 parsed_1las 1
10 1 . . . . . 4.08 3.16 5.00 parsed_1las 1
11 1 . . . . . 2.77 2.29 3.25 parsed_1las 1
12 1 . . . . . 2.87 2.38 3.35 parsed_1las 1
13 1 . . . . . 2.48 2.17 2.79 parsed_1las 1
14 1 . . . . . 3.56 2.37 4.75 parsed_1las 1
15 1 . . . . . 3.06 2.08 4.04 parsed_1las 1
16 1 . . . . . 4.64 3.29 6.00 parsed_1las 1
17 1 . . . . . 3.46 2.40 4.52 parsed_1las 1
18 1 . . . . . 2.33 1.93 2.73 parsed_1las 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 ub=5 1 81 1 91 parsed_1las 1
2 ub=5.8 2 81 2 91 parsed_1las 1
3 ub=0.5 3 81 3 91 parsed_1las 1
4
;
ub+1
assign ( resid 7 and name H8 )( resid 7 and name H4' ) 3.78 1.55 1.55 ! OFF
;
5 81 6 93 parsed_1las 1
5 ub=0.5 7 81 7 91 parsed_1las 1
6 ub+1 9 81 9 91 parsed_1las 1
7 ub=6 10 81 10 91 parsed_1las 1
8 ub+1 11 81 11 91 parsed_1las 1
9 ub+0.5 12 81 12 91 parsed_1las 1
10 ub=5 13 81 13 91 parsed_1las 1
11 nc 14 81 14 91 parsed_1las 1
12 nc 15 81 15 91 parsed_1las 1
13 ub+0.3 16 81 16 91 parsed_1las 1
14 ub+4.75 17 81 17 91 parsed_1las 1
15 ub+1 18 81 18 91 parsed_1las 1
16 ub=6 19 81 19 91 parsed_1las 1
17 ub+1 20 81 20 91 parsed_1las 1
18 ub+0.3 21 81 21 91 parsed_1las 1
stop_
save_
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