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 |
|
|
611650 |
2nar   |
25944 | cing | 2-parsed | STAR | distance | NOE | simple | 22 |
data_2nar_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2nar
_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_2nar 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2nar
_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 2nar "Master copy" parsed_2nar
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2nar
_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 2nar.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2nar 1
1 2nar.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 122 parsed_2nar 1
1 2nar.mr . . XEASY 3 peak "Not applicable" "Not applicable" 0 parsed_2nar 1
1 2nar.mr . . XEASY 4 peak "Not applicable" "Not applicable" 0 parsed_2nar 1
1 2nar.mr . . XEASY 5 peak "Not applicable" "Not applicable" 0 parsed_2nar 1
1 2nar.mr . . XEASY 6 peak "Not applicable" "Not applicable" 0 parsed_2nar 1
1 2nar.mr . . DYANA/DIANA 7 distance NOE simple 22 parsed_2nar 1
1 2nar.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2nar 1
stop_
save_
save_DYANA/DIANA_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2nar
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_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_2nar 1
2 1 . . . parsed_2nar 1
3 1 . . . parsed_2nar 1
4 1 . . . parsed_2nar 1
5 1 . . . parsed_2nar 1
6 1 . . . parsed_2nar 1
7 1 . . . parsed_2nar 1
8 1 . . . parsed_2nar 1
9 1 . . . parsed_2nar 1
10 1 . . . parsed_2nar 1
11 1 . . . parsed_2nar 1
12 1 . . . parsed_2nar 1
13 1 . . . parsed_2nar 1
14 1 . . . parsed_2nar 1
15 1 . . . parsed_2nar 1
16 1 . . . parsed_2nar 1
17 1 . . . parsed_2nar 1
18 1 . . . parsed_2nar 1
19 1 . . . parsed_2nar 1
20 1 . . . parsed_2nar 1
21 1 . . . parsed_2nar 1
22 1 . . . parsed_2nar 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 . . . . . . . . . 13 PHE HA parsed_2nar 1
1 1 2 . . . . . . . . . 45 TRP HE1 parsed_2nar 1
2 1 1 . . . . . . . . . 13 PHE QB parsed_2nar 1
2 1 2 . . . . . . . . . 45 TRP HE1 parsed_2nar 1
3 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
3 1 2 . . . . . . . . . 44 TRP HA parsed_2nar 1
4 1 1 . . . . . . . . . 13 PHE QD parsed_2nar 1
4 1 2 . . . . . . . . . 44 TRP HB3 parsed_2nar 1
5 1 1 . . . . . . . . . 13 PHE QB parsed_2nar 1
5 1 2 . . . . . . . . . 44 TRP HZ3 parsed_2nar 1
6 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
6 1 2 . . . . . . . . . 44 TRP HB3 parsed_2nar 1
7 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
7 1 2 . . . . . . . . . 44 TRP HB2 parsed_2nar 1
8 1 1 . . . . . . . . . 13 PHE QB parsed_2nar 1
8 1 2 . . . . . . . . . 45 TRP HZ2 parsed_2nar 1
9 1 1 . . . . . . . . . 13 PHE QB parsed_2nar 1
9 1 2 . . . . . . . . . 45 TRP HH2 parsed_2nar 1
10 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
10 1 2 . . . . . . . . . 45 TRP HE1 parsed_2nar 1
11 1 1 . . . . . . . . . 13 PHE QD parsed_2nar 1
11 1 2 . . . . . . . . . 45 TRP H parsed_2nar 1
12 1 1 . . . . . . . . . 13 PHE H parsed_2nar 1
12 1 2 . . . . . . . . . 45 TRP HE1 parsed_2nar 1
13 1 1 . . . . . . . . . 13 PHE QD parsed_2nar 1
13 1 2 . . . . . . . . . 45 TRP HE1 parsed_2nar 1
14 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
14 1 2 . . . . . . . . . 44 TRP HE1 parsed_2nar 1
15 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
15 1 2 . . . . . . . . . 45 TRP H parsed_2nar 1
16 1 1 . . . . . . . . . 13 PHE HZ parsed_2nar 1
16 1 2 . . . . . . . . . 44 TRP HD1 parsed_2nar 1
17 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
17 1 2 . . . . . . . . . 44 TRP H parsed_2nar 1
18 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
18 1 2 . . . . . . . . . 44 TRP HE3 parsed_2nar 1
19 1 1 . . . . . . . . . 13 PHE QE parsed_2nar 1
19 1 2 . . . . . . . . . 44 TRP HZ2 parsed_2nar 1
20 1 1 . . . . . . . . . 13 PHE QD parsed_2nar 1
20 1 2 . . . . . . . . . 44 TRP HZ3 parsed_2nar 1
21 1 1 . . . . . . . . . 13 PHE QB parsed_2nar 1
21 1 2 . . . . . . . . . 44 TRP HE3 parsed_2nar 1
22 1 1 . . . . . . . . . 13 PHE QB parsed_2nar 1
22 1 2 . . . . . . . . . 45 TRP HD1 parsed_2nar 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 . . . . . . . 4.54 parsed_2nar 1
2 1 . . . . . . . 4.18 parsed_2nar 1
3 1 . . . . . . . 5.09 parsed_2nar 1
4 1 . . . . . . . 4.53 parsed_2nar 1
5 1 . . . . . . . 4.78 parsed_2nar 1
6 1 . . . . . . . 3.75 parsed_2nar 1
7 1 . . . . . . . 3.30 parsed_2nar 1
8 1 . . . . . . . 5.02 parsed_2nar 1
9 1 . . . . . . . 4.88 parsed_2nar 1
10 1 . . . . . . . 5.98 parsed_2nar 1
11 1 . . . . . . . 5.28 parsed_2nar 1
12 1 . . . . . . . 5.32 parsed_2nar 1
13 1 . . . . . . . 5.00 parsed_2nar 1
14 1 . . . . . . . 4.64 parsed_2nar 1
15 1 . . . . . . . 5.21 parsed_2nar 1
16 1 . . . . . . . 5.61 parsed_2nar 1
17 1 . . . . . . . 4.94 parsed_2nar 1
18 1 . . . . . . . 4.63 parsed_2nar 1
19 1 . . . . . . . 5.27 parsed_2nar 1
20 1 . . . . . . . 4.23 parsed_2nar 1
21 1 . . . . . . . 3.98 parsed_2nar 1
22 1 . . . . . . . 4.06 parsed_2nar 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 "additional upper distance limit, set fixed by re-analyzing the 2D-NOESY manually" 1 1 1 81 parsed_2nar 1
2 "peak 452 #SUP 0.88 #QF 0.88" 2 49 2 81 parsed_2nar 1
3 "peak 453 #SUP 0.90 #QF 0.90" 3 49 3 81 parsed_2nar 1
4 "peak 948 #SUP 0.82 #QF 0.82 #4.6" 4 49 4 86 parsed_2nar 1
5 "peak 1000 #SUP 1.00" 5 49 5 70 parsed_2nar 1
6 "peak 1009 #SUP 0.67 #QF 0.67 #5.1" 6 49 6 86 parsed_2nar 1
7 "peak 1013 #SUP 0.94 #QF 0.94 #3.5" 7 49 7 86 parsed_2nar 1
8 "peak 1014 #SUP 0.79 #QF 0.79 #3.0" 8 49 8 86 parsed_2nar 1
9 "peak 1015 #SUP 0.88 #QF 0.82" 9 49 9 81 parsed_2nar 1
10 "peak 1056 #SUP 0.28 #QF 0.28 #4.3" 10 49 10 86 parsed_2nar 1
11 "peak 1279 #SUP 0.91 #QF 0.91 #6.0" 11 49 11 86 parsed_2nar 1
12 "peak 1280 #SUP 0.87 #QF 0.87" 12 49 12 81 parsed_2nar 1
13 "peak 1299 #SUP 0.99 #QF 0.99 #6.2" 13 49 13 86 parsed_2nar 1
14 "peak 1300 #SUP 0.98 #QF 0.46 #6.0" 14 49 14 86 parsed_2nar 1
15 "peak 1303 #SUP 0.93 #QF 0.93 #5.0" 15 49 15 86 parsed_2nar 1
16 "peak 1305 #SUP 0.97 #QF 0.97 #5.0" 16 49 16 86 parsed_2nar 1
17 "peak 1402 #SUP 0.66 #QF 0.56" 17 49 17 81 parsed_2nar 1
18 "peak 1415 #SUP 1.00" 18 49 18 74 parsed_2nar 1
19 "peak 1421 #SUP 0.99 #QF 0.26" 19 49 19 81 parsed_2nar 1
20 "peak 1422 #SUP 1.00 #5.8" 20 49 20 78 parsed_2nar 1
21 "13 PHE QE 44 TRP HZ3 5.58 #peak 1437 #SUP 0.75 #QF 0.75 #5.8" 21 2 21 87 parsed_2nar 1
22 "peak 1452 #SUP 0.33 #QF 0.33" 22 49 22 82 parsed_2nar 1
23 "peak 2109 #SUP 0.93 #QF 0.93 #3.0" 23 49 23 86 parsed_2nar 1
24 "peak 2111 #SUP 0.99 #QF 0.91 #3.5" 24 49 24 86 parsed_2nar 1
stop_
save_
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