NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
34620 |
1k42   |
5181 | cing | 2-parsed | STAR | distance | NOE | ambi | 16 |
data_1k42_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1k42
_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_1k42 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1k42
_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 1k42 "Master copy" parsed_1k42
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1k42
_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 1k42.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1k42 1
1 1k42.mr . . XPLOR/CNS 2 distance NOE simple 1654 parsed_1k42 1
1 1k42.mr . . XPLOR/CNS 3 distance NOE ambi 16 parsed_1k42 1
1 1k42.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_1k42 1
1 1k42.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1k42 1
1 1k42.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1k42 1
1 1k42.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1k42 1
1 1k42.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1k42 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1k42
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_1k42 1
2 1 . . . parsed_1k42 1
3 1 . . . parsed_1k42 1
4 1 . . . parsed_1k42 1
5 1 . . . parsed_1k42 1
6 1 . . . parsed_1k42 1
7 1 . . . parsed_1k42 1
8 1 . . . parsed_1k42 1
9 1 . . . parsed_1k42 1
10 1 . . . parsed_1k42 1
11 1 . . . parsed_1k42 1
12 1 . . . parsed_1k42 1
13 1 . . . parsed_1k42 1
14 1 . . . parsed_1k42 1
15 1 . . . parsed_1k42 1
16 1 . . . parsed_1k42 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 . . . . . . . . . 10 . hn parsed_1k42 1
1 1 2 . . . . . . . . . 6 . hd1+ parsed_1k42 1
1 1 2 . . . . . . . . . 6 . hg2+ parsed_1k42 1
1 1 2 . . . . . . . . . 44 . hg1+ parsed_1k42 1
1 1 2 . . . . . . . . . 44 . hg2+ parsed_1k42 1
2 1 1 . . . . . . . . . 11 . hn parsed_1k42 1
2 1 2 . . . . . . . . . 7 . hn parsed_1k42 1
2 1 2 . . . . . . . . . 27 . hn parsed_1k42 1
3 1 1 . . . . . . . . . 13 . hn parsed_1k42 1
3 1 2 . . . . . . . . . 25 . hg1+ parsed_1k42 1
3 1 2 . . . . . . . . . 44 . hg1+ parsed_1k42 1
3 1 2 . . . . . . . . . 44 . hg2+ parsed_1k42 1
4 1 1 . . . . . . . . . 31 . hn parsed_1k42 1
4 1 2 . . . . . . . . . 72 . hb1 parsed_1k42 1
4 1 2 . . . . . . . . . 72 . hb2 parsed_1k42 1
5 1 1 . . . . . . . . . 32 . hn parsed_1k42 1
5 1 2 . . . . . . . . . 21 . hd1+ parsed_1k42 1
5 1 2 . . . . . . . . . 36 . hg2+ parsed_1k42 1
6 1 1 . . . . . . . . . 41 . hn parsed_1k42 1
6 1 2 . . . . . . . . . 59 . ha parsed_1k42 1
6 1 2 . . . . . . . . . 157 . ha parsed_1k42 1
7 1 1 . . . . . . . . . 57 . hn parsed_1k42 1
7 1 2 . . . . . . . . . 44 . hg1+ parsed_1k42 1
7 1 2 . . . . . . . . . 44 . hg2+ parsed_1k42 1
8 1 1 . . . . . . . . . 71 . hn parsed_1k42 1
8 1 2 . . . . . . . . . 69 . ha parsed_1k42 1
8 1 2 . . . . . . . . . 148 . ha2 parsed_1k42 1
9 1 1 . . . . . . . . . 99 . hn parsed_1k42 1
9 1 2 . . . . . . . . . 100 . hg2+ parsed_1k42 1
9 1 2 . . . . . . . . . 121 . hd1 parsed_1k42 1
10 1 1 . . . . . . . . . 107 . hd21 parsed_1k42 1
10 1 2 . . . . . . . . . 111 . hb1 parsed_1k42 1
10 1 2 . . . . . . . . . 111 . hb2 parsed_1k42 1
11 1 1 . . . . . . . . . 107 . hd21 parsed_1k42 1
11 1 2 . . . . . . . . . 111 . hg1 parsed_1k42 1
11 1 2 . . . . . . . . . 111 . hg2 parsed_1k42 1
12 1 1 . . . . . . . . . 107 . hd22 parsed_1k42 1
12 1 2 . . . . . . . . . 111 . hb1 parsed_1k42 1
12 1 2 . . . . . . . . . 111 . hb2 parsed_1k42 1
13 1 1 . . . . . . . . . 107 . hd22 parsed_1k42 1
13 1 2 . . . . . . . . . 107 . hb1 parsed_1k42 1
13 1 2 . . . . . . . . . 113 . hb2 parsed_1k42 1
14 1 1 . . . . . . . . . 152 . hd21 parsed_1k42 1
14 1 2 . . . . . . . . . 64 . hg2+ parsed_1k42 1
14 1 2 . . . . . . . . . 101 . hg2+ parsed_1k42 1
15 1 1 . . . . . . . . . 155 . hd21 parsed_1k42 1
15 1 2 . . . . . . . . . 97 . hb2 parsed_1k42 1
15 1 2 . . . . . . . . . 155 . hb1 parsed_1k42 1
15 1 2 . . . . . . . . . 155 . hb2 parsed_1k42 1
16 1 1 . . . . . . . . . 155 . hd22 parsed_1k42 1
16 1 2 . . . . . . . . . 97 . hb2 parsed_1k42 1
16 1 2 . . . . . . . . . 155 . hb1 parsed_1k42 1
16 1 2 . . . . . . . . . 155 . hb2 parsed_1k42 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 . . . . . 5.50 1.90 5.50 parsed_1k42 1
2 1 . . . . . 4.20 1.90 4.20 parsed_1k42 1
3 1 . . . . . 3.30 1.90 3.30 parsed_1k42 1
4 1 . . . . . 4.20 1.90 4.20 parsed_1k42 1
5 1 . . . . . 5.50 1.90 5.50 parsed_1k42 1
6 1 . . . . . 5.50 1.90 5.50 parsed_1k42 1
7 1 . . . . . 5.50 1.90 5.50 parsed_1k42 1
8 1 . . . . . 3.30 1.90 3.30 parsed_1k42 1
9 1 . . . . . 5.50 1.90 5.50 parsed_1k42 1
10 1 . . . . . 2.80 1.90 2.80 parsed_1k42 1
11 1 . . . . . 3.30 1.90 3.30 parsed_1k42 1
12 1 . . . . . 2.80 1.90 2.80 parsed_1k42 1
13 1 . . . . . 2.80 1.90 2.80 parsed_1k42 1
14 1 . . . . . 4.20 1.90 4.20 parsed_1k42 1
15 1 . . . . . 2.80 1.90 2.80 parsed_1k42 1
16 1 . . . . . 2.80 1.90 2.80 parsed_1k42 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
;
cbm_ambigs.tbl
# ambiguous NOES
;
1 1 2 18 parsed_1k42 1
2 7 3 91 3 94 parsed_1k42 1
3 7 6 91 6 94 parsed_1k42 1
4 7 8 91 8 94 parsed_1k42 1
5 7 11 66 11 69 parsed_1k42 1
6 7 13 91 13 94 parsed_1k42 1
7 7 15 91 15 94 parsed_1k42 1
8 7 17 91 17 94 parsed_1k42 1
9 7 19 91 19 94 parsed_1k42 1
10 7 21 91 21 94 parsed_1k42 1
11 7 23 91 23 94 parsed_1k42 1
12 7 25 91 25 94 parsed_1k42 1
13 7 27 91 27 94 parsed_1k42 1
14 7 29 91 29 94 parsed_1k42 1
15 7 31 91 31 94 parsed_1k42 1
16 7 33 91 33 94 parsed_1k42 1
17 7 36 60 36 63 parsed_1k42 1
18 7 39 60 39 63 parsed_1k42 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "( ( resid 164 and name hd1+ ) or ( resid 164 and name hd2+ ) ) 4.20 2.30 0.00" 3 8 3 87 parsed_1k42 1
stop_
save_
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