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 |
|
|
35253 |
1lae   |
cing | 2-parsed | STAR | distance | NOE | ambi | 27 |
data_1lae_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1lae
_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_1lae 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1lae
_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 1lae "Master copy" parsed_1lae
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1lae
_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 1lae.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 2 distance NOE ambi 159 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 3 distance NOE ambi 44 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 4 distance NOE ambi 70 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 5 distance NOE ambi 27 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_1lae 1
1 1lae.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . XPLOR/CNS 12 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_1lae 1
1 1lae.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1lae 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lae
_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_1lae 1
2 1 . . . parsed_1lae 1
3 1 . . . parsed_1lae 1
4 1 . . . parsed_1lae 1
5 1 . . . parsed_1lae 1
6 1 . . . parsed_1lae 1
7 1 . . . parsed_1lae 1
8 1 . . . parsed_1lae 1
9 1 . . . parsed_1lae 1
10 1 . . . parsed_1lae 1
11 1 . . . parsed_1lae 1
12 1 . . . parsed_1lae 1
13 1 . . . parsed_1lae 1
14 1 . . . parsed_1lae 1
15 1 . . . parsed_1lae 1
16 1 . . . parsed_1lae 1
17 1 . . . parsed_1lae 1
18 1 . . . parsed_1lae 1
19 1 . . . parsed_1lae 1
20 1 . . . parsed_1lae 1
21 1 . . . parsed_1lae 1
22 1 . . . parsed_1lae 1
23 1 . . . parsed_1lae 1
24 1 . . . parsed_1lae 1
25 1 . . . parsed_1lae 1
26 1 . . . parsed_1lae 1
27 1 . . . parsed_1lae 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 . . . . . . . . . 2 . H4' parsed_1lae 1
1 1 2 . . . . . . . . . 2 . H1' parsed_1lae 1
2 1 1 . . . . . . . . . 2 . H4' parsed_1lae 1
2 1 2 . . . . . . . . . 2 . H3' parsed_1lae 1
3 1 1 . . . . . . . . . 3 . H5' parsed_1lae 1
3 1 2 . . . . . . . . . 2 . H1' parsed_1lae 1
4 1 1 . . . . . . . . . 3 . H3' parsed_1lae 1
4 1 2 . . . . . . . . . 3 . H2'' parsed_1lae 1
5 1 1 . . . . . . . . . 5 . H5' parsed_1lae 1
5 1 2 . . . . . . . . . 4 . H1' parsed_1lae 1
6 1 1 . . . . . . . . . 5 . H8 parsed_1lae 1
6 1 2 . . . . . . . . . 5 . H5' parsed_1lae 1
7 1 1 . . . . . . . . . 6 . H3' parsed_1lae 1
7 1 2 . . . . . . . . . 6 . H2' parsed_1lae 1
8 1 1 . . . . . . . . . 7 . H3' parsed_1lae 1
8 1 2 . . . . . . . . . 7 . H1' parsed_1lae 1
9 1 1 . . . . . . . . . 7 . H4' parsed_1lae 1
9 1 2 . . . . . . . . . 7 . H1' parsed_1lae 1
10 1 1 . . . . . . . . . 9 . H3' parsed_1lae 1
10 1 2 . . . . . . . . . 9 . H2' parsed_1lae 1
11 1 1 . . . . . . . . . 9 . H4' parsed_1lae 1
11 1 2 . . . . . . . . . 9 . H3' parsed_1lae 1
12 1 1 . . . . . . . . . 9 . H5' parsed_1lae 1
12 1 2 . . . . . . . . . 9 . H3' parsed_1lae 1
13 1 1 . . . . . . . . . 9 . H5'' parsed_1lae 1
13 1 2 . . . . . . . . . 9 . H3' parsed_1lae 1
14 1 1 . . . . . . . . . 9 . H6 parsed_1lae 1
14 1 2 . . . . . . . . . 9 . H1' parsed_1lae 1
15 1 1 . . . . . . . . . 10 . H5 parsed_1lae 1
15 1 2 . . . . . . . . . 9 . H2' parsed_1lae 1
16 1 1 . . . . . . . . . 10 . H4' parsed_1lae 1
16 1 2 . . . . . . . . . 10 . H3' parsed_1lae 1
17 1 1 . . . . . . . . . 10 . H5' parsed_1lae 1
17 1 1 . . . . . . . . . 10 . H5'' parsed_1lae 1
17 1 2 . . . . . . . . . 10 . H1' parsed_1lae 1
18 1 1 . . . . . . . . . 10 . H5' parsed_1lae 1
18 1 1 . . . . . . . . . 10 . H5'' parsed_1lae 1
18 1 2 . . . . . . . . . 10 . H3' parsed_1lae 1
19 1 1 . . . . . . . . . 12 . H5' parsed_1lae 1
19 1 2 . . . . . . . . . 11 . H1' parsed_1lae 1
20 1 1 . . . . . . . . . 12 . H4' parsed_1lae 1
20 1 2 . . . . . . . . . 12 . H2'' parsed_1lae 1
21 1 1 . . . . . . . . . 12 . H4' parsed_1lae 1
21 1 2 . . . . . . . . . 12 . H6 parsed_1lae 1
22 1 1 . . . . . . . . . 12 . H6 parsed_1lae 1
22 1 2 . . . . . . . . . 12 . H5'' parsed_1lae 1
23 1 1 . . . . . . . . . 13 . H8 parsed_1lae 1
23 1 2 . . . . . . . . . 12 . H2'' parsed_1lae 1
24 1 1 . . . . . . . . . 13 . H2'' parsed_1lae 1
24 1 2 . . . . . . . . . 13 . H8 parsed_1lae 1
25 1 1 . . . . . . . . . 13 . H5' parsed_1lae 1
25 1 1 . . . . . . . . . 13 . H5'' parsed_1lae 1
25 1 2 . . . . . . . . . 13 . H3' parsed_1lae 1
26 1 1 . . . . . . . . . 3 . H5'' parsed_1lae 1
26 1 2 . . . . . . . . . 2 . H2'' parsed_1lae 1
27 1 1 . . . . . . . . . 12 . H5'' parsed_1lae 1
27 1 2 . . . . . . . . . 11 . H2'' parsed_1lae 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 . . . . . 2.77 2.47 3.77 parsed_1lae 1
2 1 . . . . . 2.33 2.03 2.93 parsed_1lae 1
3 1 . . . . . 2.93 2.63 3.23 parsed_1lae 1
4 1 . . . . . 2.74 2.44 3.04 parsed_1lae 1
5 1 . . . . . 4.86 3.76 5.20 parsed_1lae 1
6 1 . . . . . 4.60 4.07 5.13 parsed_1lae 1
7 1 . . . . . 2.45 2.15 2.75 parsed_1lae 1
8 1 . . . . . 4.71 3.59 5.20 parsed_1lae 1
9 1 . . . . . 2.88 2.58 3.68 parsed_1lae 1
10 1 . . . . . 2.83 2.23 3.13 parsed_1lae 1
11 1 . . . . . 2.62 1.40 3.20 parsed_1lae 1
12 1 . . . . . 3.06 2.46 3.86 parsed_1lae 1
13 1 . . . . . 3.46 2.58 3.85 parsed_1lae 1
14 1 . . . . . 3.42 3.08 3.76 parsed_1lae 1
15 1 . . . . . 3.09 2.79 3.39 parsed_1lae 1
16 1 . . . . . 2.37 2.07 2.97 parsed_1lae 1
17 1 . . . . . 4.71 3.73 5.70 parsed_1lae 1
18 1 . . . . . 3.08 2.78 3.38 parsed_1lae 1
19 1 . . . . . 3.00 2.70 3.30 parsed_1lae 1
20 1 . . . . . 3.33 2.96 4.19 parsed_1lae 1
21 1 . . . . . 3.93 3.34 5.02 parsed_1lae 1
22 1 . . . . . 5.17 3.63 5.21 parsed_1lae 1
23 1 . . . . . 3.29 2.09 3.59 parsed_1lae 1
24 1 . . . . . 3.10 2.77 3.93 parsed_1lae 1
25 1 . . . . . 3.62 2.34 4.40 parsed_1lae 1
26 1 . . . . . 4.10 3.43 4.77 parsed_1lae 1
27 1 . . . . . 3.95 3.30 4.60 parsed_1lae 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 "Class 4 Distance Restraints" 1 1 1 30 parsed_1lae 1
2 ub+0.7 3 81 3 90 parsed_1lae 1
3 ub+0.3 4 81 4 89 parsed_1lae 1
4 lb-0.5 10 81 10 90 parsed_1lae 1
5 ub+0.5 11 81 11 90 parsed_1lae 1
6 lb-0.6 12 81 12 90 parsed_1lae 1
7 -2 13 81 13 86 parsed_1lae 1
8 ub+0.5 14 81 14 90 parsed_1lae 1
9 lb-0.5 15 81 15 89 parsed_1lae 1
10 ub+0.3 18 81 18 90 parsed_1lae 1
11 ub+0.5 24 81 24 90 parsed_1lae 1
12 ub+0.5 25 81 25 90 parsed_1lae 1
13 lb-1.0 27 81 27 90 parsed_1lae 1
14
;
lb-0.5
assign ( resid 3 and name H5'' )( resid 2 and name H2' ) 4.42 1.30 0.78
;
30 81 31 84 parsed_1lae 1
15 "assign ( resid 12 and name H5'' )( resid 11 and name H2' ) 4.35 1.18 0.85" 33 1 33 84 parsed_1lae 1
stop_
save_
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