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 |
|
|
29690 |
1bah   |
cing | 2-parsed | STAR | distance | NOE | ambi | 10 |
data_1bah_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bah
_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_1bah 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bah
_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 1bah "Master copy" parsed_1bah
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bah
_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 1bah.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bah 1
1 1bah.mr . . XPLOR/CNS 2 distance NOE simple 503 parsed_1bah 1
1 1bah.mr . . XPLOR/CNS 3 distance "disulfide bond" simple 6 parsed_1bah 1
1 1bah.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1bah 1
1 1bah.mr . . XPLOR/CNS 5 distance NOE ambi 10 parsed_1bah 1
1 1bah.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1bah 1
1 1bah.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1bah 1
1 1bah.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bah 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1bah
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_1bah 1
2 1 . . . parsed_1bah 1
3 1 . . . parsed_1bah 1
4 1 . . . parsed_1bah 1
5 1 . . . parsed_1bah 1
6 1 . . . parsed_1bah 1
7 1 . . . parsed_1bah 1
8 1 . . . parsed_1bah 1
9 1 . . . parsed_1bah 1
10 1 . . . parsed_1bah 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 . . . . . . . . . 12 . HN parsed_1bah 1
1 1 1 . . . . . . . . . 14 . HE* parsed_1bah 1
1 1 1 . . . . . . . . . 19 . HN parsed_1bah 1
1 1 2 . . . . . . . . . 13 . HG* parsed_1bah 1
1 1 2 . . . . . . . . . 16 . HG1* parsed_1bah 1
2 1 1 . . . . . . . . . 19 . HN parsed_1bah 1
2 1 2 . . . . . . . . . 16 . HG2* parsed_1bah 1
2 1 2 . . . . . . . . . 23 . HG* parsed_1bah 1
3 1 1 . . . . . . . . . 22 . HA parsed_1bah 1
3 1 1 . . . . . . . . . 24 . HA parsed_1bah 1
3 1 2 . . . . . . . . . 14 . HB* parsed_1bah 1
3 1 2 . . . . . . . . . 21 . HB3 parsed_1bah 1
4 1 1 . . . . . . . . . 7 . HA parsed_1bah 1
4 1 1 . . . . . . . . . 28 . HA parsed_1bah 1
4 1 2 . . . . . . . . . 12 . HG* parsed_1bah 1
4 1 2 . . . . . . . . . 28 . HB2 parsed_1bah 1
5 1 1 . . . . . . . . . 3 . HG1 parsed_1bah 1
5 1 2 . . . . . . . . . 33 . HB3 parsed_1bah 1
5 1 2 . . . . . . . . . 34 . HB3 parsed_1bah 1
6 1 1 . . . . . . . . . 3 . HG1 parsed_1bah 1
6 1 2 . . . . . . . . . 33 . HB2 parsed_1bah 1
6 1 2 . . . . . . . . . 34 . HB2 parsed_1bah 1
7 1 1 . . . . . . . . . 35 . HA parsed_1bah 1
7 1 2 . . . . . . . . . 17 . HB3 parsed_1bah 1
7 1 2 . . . . . . . . . 36 . HB3 parsed_1bah 1
8 1 1 . . . . . . . . . 33 . HN parsed_1bah 1
8 1 1 . . . . . . . . . 35 . HN parsed_1bah 1
8 1 2 . . . . . . . . . 3 . HG2* parsed_1bah 1
8 1 2 . . . . . . . . . 32 . HG* parsed_1bah 1
9 1 1 . . . . . . . . . 14 . HE1 parsed_1bah 1
9 1 2 . . . . . . . . . 14 . HN parsed_1bah 1
9 1 2 . . . . . . . . . 25 . HN parsed_1bah 1
10 1 1 . . . . . . . . . 22 . HN parsed_1bah 1
10 1 1 . . . . . . . . . 25 . HN parsed_1bah 1
10 1 2 . . . . . . . . . 17 . HB3 parsed_1bah 1
10 1 2 . . . . . . . . . 36 . HB3 parsed_1bah 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 . . . . . 4.45 1.80 5.56 parsed_1bah 1
2 1 . . . . . 4.45 1.80 5.56 parsed_1bah 1
3 1 . . . . . 3.16 1.80 3.95 parsed_1bah 1
4 1 . . . . . 3.52 2.64 4.40 parsed_1bah 1
5 1 . . . . . 3.20 1.80 4.00 parsed_1bah 1
6 1 . . . . . 3.20 1.80 4.00 parsed_1bah 1
7 1 . . . . . 4.02 3.02 5.03 parsed_1bah 1
8 1 . . . . . 4.06 1.80 5.08 parsed_1bah 1
9 1 . . . . . 4.37 3.28 5.46 parsed_1bah 1
10 1 . . . . . 3.76 2.82 4.70 parsed_1bah 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 "depl ch. = 7.56 peak 412" 1 85 1 112 parsed_1bah 1
2 "depl ch. = 0.93" 2 87 2 105 parsed_1bah 1
3 "depl ch. = 7.55 peak 413" 4 61 4 91 parsed_1bah 1
4 "depl ch. = 1.10" 5 61 5 78 parsed_1bah 1
5 "depl ch. = 4.73 peak 478" 7 61 7 89 parsed_1bah 1
6 "depl ch. = 3.46" 8 61 8 78 parsed_1bah 1
7 "depl ch. = 4.89" 10 61 10 78 parsed_1bah 1
8 "depl ch. = 2.45 peak 320" 11 61 11 89 parsed_1bah 1
9 "depl ch. = 5.98" 13 61 13 78 parsed_1bah 1
10 "depl ch. = 1.76 peak 246" 14 61 14 89 parsed_1bah 1
11 "depl ch. = 5.98" 16 61 16 78 parsed_1bah 1
12 "depl ch. = 1.64 peak 247" 17 61 17 89 parsed_1bah 1
13 "depl ch. = 5.49" 19 61 19 78 parsed_1bah 1
14 "depl ch. = 3.09 peak 257" 20 61 20 89 parsed_1bah 1
15 "depl ch. = 8.64" 22 61 22 78 parsed_1bah 1
16 "depl ch. = 1.28 peak 409" 23 61 23 89 parsed_1bah 1
17 "depl ch. = 10.18" 25 61 25 79 parsed_1bah 1
18 "depl ch. = 7.96 peak 430" 26 61 26 89 parsed_1bah 1
19 "depl ch. = 7.94 peak 547" 28 61 28 90 parsed_1bah 1
20 "depl ch. = 3.08" 29 61 29 78 parsed_1bah 1
stop_
save_
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