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 |
|
|
612063 |
2n8m   |
25855 | cing | 2-parsed | STAR | distance | general distance | simple | 12 |
data_2n8m_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n8m
_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_2n8m 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n8m
_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 2n8m "Master copy" parsed_2n8m
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n8m
_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 2n8m.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n8m 1
1 2n8m.mr . . XPLOR/CNS 2 distance NOE ambi 2196 parsed_2n8m 1
1 2n8m.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 12 parsed_2n8m 1
1 2n8m.mr . . XPLOR/CNS 4 distance "general distance" simple 12 parsed_2n8m 1
1 2n8m.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n8m 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n8m
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_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_2n8m 1
2 1 . . . parsed_2n8m 1
3 1 . . . parsed_2n8m 1
4 1 . . . parsed_2n8m 1
5 1 . . . parsed_2n8m 1
6 1 . . . parsed_2n8m 1
7 1 . . . parsed_2n8m 1
8 1 . . . parsed_2n8m 1
9 1 . . . parsed_2n8m 1
10 1 . . . parsed_2n8m 1
11 1 . . . parsed_2n8m 1
12 1 . . . parsed_2n8m 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 . . . . . . . . "KH " 122 . NZ parsed_2n8m 1
1 1 2 . . . . . . . . "RN " 2 . O1P parsed_2n8m 1
2 1 1 . . . . . . . . "KH " 122 . NZ parsed_2n8m 1
2 1 2 . . . . . . . . "RN " 3 . O1P parsed_2n8m 1
3 1 1 . . . . . . . . "KH " 122 . NZ parsed_2n8m 1
3 1 2 . . . . . . . . "RN " 3 . O2P parsed_2n8m 1
4 1 1 . . . . . . . . "KH " 118 . NH2 parsed_2n8m 1
4 1 2 . . . . . . . . "KH " 180 . OE1 parsed_2n8m 1
5 1 1 . . . . . . . . "KH " 118 . NH1 parsed_2n8m 1
5 1 2 . . . . . . . . "KH " 180 . OE1 parsed_2n8m 1
6 1 1 . . . . . . . . "KH " 143 . OD1 parsed_2n8m 1
6 1 2 . . . . . . . . "RN " 4 . H22 parsed_2n8m 1
7 1 1 . . . . . . . . "KH " 143 . OD2 parsed_2n8m 1
7 1 2 . . . . . . . . "RN " 4 . H21 parsed_2n8m 1
8 1 1 . . . . . . . . "KH " 142 . NH1 parsed_2n8m 1
8 1 2 . . . . . . . . "RN " 5 . O1P parsed_2n8m 1
9 1 1 . . . . . . . . "RN " 6 . C4 parsed_2n8m 1
9 1 2 . . . . . . . . "RN " 5 . C6 parsed_2n8m 1
10 1 1 . . . . . . . . "RN " 6 . N3 parsed_2n8m 1
10 1 2 . . . . . . . . "RN " 5 . N1 parsed_2n8m 1
11 1 1 . . . . . . . . "RN " 6 . N1 parsed_2n8m 1
11 1 2 . . . . . . . . "RN " 5 . N3 parsed_2n8m 1
12 1 1 . . . . . . . . "RN " 6 . C5 parsed_2n8m 1
12 1 2 . . . . . . . . "RN " 5 . C5 parsed_2n8m 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 3.720e+02 . . 5.000 4.000 6.000 parsed_2n8m 1
2 1 . 10 3.720e+02 . . 5.000 4.000 6.000 parsed_2n8m 1
3 1 . 10 3.720e+02 . . 5.000 4.000 6.000 parsed_2n8m 1
4 1 . 10 3.720e+02 . . 4.000 3.000 5.000 parsed_2n8m 1
5 1 . 10 3.720e+02 . . 4.000 3.000 5.000 parsed_2n8m 1
6 1 . . . . . 3.80 3.30 4.80 parsed_2n8m 1
7 1 . . . . . 3.80 3.30 4.80 parsed_2n8m 1
8 1 . . . . . 3.80 3.30 4.80 parsed_2n8m 1
9 1 . . . . . 3.50 3.00 4.00 parsed_2n8m 1
10 1 . . . . . 3.50 3.00 4.00 parsed_2n8m 1
11 1 . . . . . 3.50 3.00 4.00 parsed_2n8m 1
12 1 . . . . . 3.50 3.00 4.00 parsed_2n8m 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
1 114 3 6 3 6 parsed_2n8m 1
2 115 11 6 11 6 parsed_2n8m 1
3 116 19 6 19 6 parsed_2n8m 1
4 117 44 6 44 6 parsed_2n8m 1
5
;
ASSI { 117}
(( segid "KH " and resid 118 and name NH2 ))
(( segid "RN " and resid 2 and name O2P ))
5.000 1.000 1.000 peak 10 spectrum 1 weight 0.10000E+01 volume 3.720e+02 ppm1 1.570 ppm2 7.980 CV 1
ASSI { 118}
(( segid "KH " and resid 118 and name NH1 ))
(( segid "RN " and resid 2 and name O1P ))
5.000 1.000 1.000 peak 10 spectrum 1 weight 0.10000E+01 volume 3.720e+02 ppm1 1.570 ppm2 7.980 CV 1
;
24 1 43 2 parsed_2n8m 1
6 118 52 6 52 6 parsed_2n8m 1
stop_
save_
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