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 |
|
|
38830 |
1s6w   |
6085 | cing | 2-parsed | STAR | distance | NOE | ambi | 38 |
data_1s6w_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1s6w
_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_1s6w 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1s6w
_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 1s6w "Master copy" parsed_1s6w
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1s6w
_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 1s6w.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1s6w 1
1 1s6w.mr . . STAR 2 sequence "Not applicable" "Not applicable" 0 parsed_1s6w 1
1 1s6w.mr . . STAR 3 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1s6w 1
1 1s6w.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 24 parsed_1s6w 1
1 1s6w.mr . . XPLOR/CNS 5 distance NOE simple 139 parsed_1s6w 1
1 1s6w.mr . . XPLOR/CNS 6 distance NOE ambi 38 parsed_1s6w 1
1 1s6w.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 0 parsed_1s6w 1
1 1s6w.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1s6w 1
stop_
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1s6w
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_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_1s6w 1
2 1 . . . parsed_1s6w 1
3 1 . . . parsed_1s6w 1
4 1 . . . parsed_1s6w 1
5 1 . . . parsed_1s6w 1
6 1 . . . parsed_1s6w 1
7 1 . . . parsed_1s6w 1
8 1 . . . parsed_1s6w 1
9 1 . . . parsed_1s6w 1
10 1 . . . parsed_1s6w 1
11 1 . . . parsed_1s6w 1
12 1 . . . parsed_1s6w 1
13 1 . . . parsed_1s6w 1
14 1 . . . parsed_1s6w 1
15 1 . . . parsed_1s6w 1
16 1 . . . parsed_1s6w 1
17 1 . . . parsed_1s6w 1
18 1 . . . parsed_1s6w 1
19 1 . . . parsed_1s6w 1
20 1 . . . parsed_1s6w 1
21 1 . . . parsed_1s6w 1
22 1 . . . parsed_1s6w 1
23 1 . . . parsed_1s6w 1
24 1 . . . parsed_1s6w 1
25 1 . . . parsed_1s6w 1
26 1 . . . parsed_1s6w 1
27 1 . . . parsed_1s6w 1
28 1 . . . parsed_1s6w 1
29 1 . . . parsed_1s6w 1
30 1 . . . parsed_1s6w 1
31 1 . . . parsed_1s6w 1
32 1 . . . parsed_1s6w 1
33 1 . . . parsed_1s6w 1
34 1 . . . parsed_1s6w 1
35 1 . . . parsed_1s6w 1
36 1 . . . parsed_1s6w 1
37 1 . . . parsed_1s6w 1
38 1 . . . parsed_1s6w 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 . . . . . . . . . 7 . HN parsed_1s6w 1
1 1 2 . . . . . . . . . 6 . HA parsed_1s6w 1
2 1 1 . . . . . . . . . 8 . HN parsed_1s6w 1
2 1 2 . . . . . . . . . 7 . HA parsed_1s6w 1
3 1 1 . . . . . . . . . 12 . HN parsed_1s6w 1
3 1 2 . . . . . . . . . 11 . HA parsed_1s6w 1
4 1 1 . . . . . . . . . 21 . HN parsed_1s6w 1
4 1 2 . . . . . . . . . 20 . HA parsed_1s6w 1
5 1 1 . . . . . . . . . 20 . HN parsed_1s6w 1
5 1 2 . . . . . . . . . 19 . HA parsed_1s6w 1
6 1 1 . . . . . . . . . 2 . HN parsed_1s6w 1
6 1 2 . . . . . . . . . 1 . HA* parsed_1s6w 1
7 1 1 . . . . . . . . . 18 . hn parsed_1s6w 1
7 1 2 . . . . . . . . . 18 . ha parsed_1s6w 1
8 1 1 . . . . . . . . . 19 . hn parsed_1s6w 1
8 1 2 . . . . . . . . . 19 . ha parsed_1s6w 1
9 1 1 . . . . . . . . . 6 . hn parsed_1s6w 1
9 1 2 . . . . . . . . . 6 . ha parsed_1s6w 1
10 1 1 . . . . . . . . . 5 . hn parsed_1s6w 1
10 1 2 . . . . . . . . . 5 . ha parsed_1s6w 1
11 1 1 . . . . . . . . . 3 . hn parsed_1s6w 1
11 1 2 . . . . . . . . . 3 . ha parsed_1s6w 1
12 1 1 . . . . . . . . . 15 . hn parsed_1s6w 1
12 1 2 . . . . . . . . . 15 . ha parsed_1s6w 1
13 1 1 . . . . . . . . . 7 . hn parsed_1s6w 1
13 1 2 . . . . . . . . . 7 . ha parsed_1s6w 1
14 1 1 . . . . . . . . . 11 . hn parsed_1s6w 1
14 1 2 . . . . . . . . . 11 . ha parsed_1s6w 1
15 1 1 . . . . . . . . . 12 . hn parsed_1s6w 1
15 1 2 . . . . . . . . . 12 . ha parsed_1s6w 1
16 1 1 . . . . . . . . . 17 . hn parsed_1s6w 1
16 1 2 . . . . . . . . . 17 . ha parsed_1s6w 1
17 1 1 . . . . . . . . . 14 . hn parsed_1s6w 1
17 1 2 . . . . . . . . . 14 . ha* parsed_1s6w 1
18 1 1 . . . . . . . . . 14 . hn parsed_1s6w 1
18 1 2 . . . . . . . . . 14 . ha* parsed_1s6w 1
19 1 1 . . . . . . . . . 16 . hn parsed_1s6w 1
19 1 2 . . . . . . . . . 16 . ha* parsed_1s6w 1
20 1 1 . . . . . . . . . 16 . hn parsed_1s6w 1
20 1 2 . . . . . . . . . 16 . ha* parsed_1s6w 1
21 1 1 . . . . . . . . . 8 . hn parsed_1s6w 1
21 1 2 . . . . . . . . . 8 . ha parsed_1s6w 1
22 1 1 . . . . . . . . . 21 . hn parsed_1s6w 1
22 1 2 . . . . . . . . . 21 . ha parsed_1s6w 1
23 1 1 . . . . . . . . . 4 . he* parsed_1s6w 1
23 1 1 . . . . . . . . . 21 . hd* parsed_1s6w 1
23 1 1 . . . . . . . . . 21 . hz parsed_1s6w 1
23 1 2 . . . . . . . . . 3 . hn parsed_1s6w 1
24 1 1 . . . . . . . . . 21 . hd* parsed_1s6w 1
24 1 1 . . . . . . . . . 21 . hz parsed_1s6w 1
24 1 2 . . . . . . . . . 3 . hg* parsed_1s6w 1
25 1 1 . . . . . . . . . 21 . hd* parsed_1s6w 1
25 1 1 . . . . . . . . . 21 . hz parsed_1s6w 1
25 1 2 . . . . . . . . . 5 . hn parsed_1s6w 1
25 1 2 . . . . . . . . . 7 . hn parsed_1s6w 1
26 1 1 . . . . . . . . . 1 . ha* parsed_1s6w 1
26 1 1 . . . . . . . . . 16 . ha* parsed_1s6w 1
26 1 2 . . . . . . . . . 4 . hz parsed_1s6w 1
27 1 1 . . . . . . . . . 21 . hd* parsed_1s6w 1
27 1 1 . . . . . . . . . 21 . hz parsed_1s6w 1
27 1 2 . . . . . . . . . 2 . ha parsed_1s6w 1
28 1 1 . . . . . . . . . 21 . hd* parsed_1s6w 1
28 1 1 . . . . . . . . . 21 . hz parsed_1s6w 1
28 1 2 . . . . . . . . . 18 . ha parsed_1s6w 1
29 1 1 . . . . . . . . . 21 . hd* parsed_1s6w 1
29 1 1 . . . . . . . . . 21 . hz parsed_1s6w 1
29 1 2 . . . . . . . . . 19 . ha parsed_1s6w 1
30 1 1 . . . . . . . . . 21 . hd* parsed_1s6w 1
30 1 1 . . . . . . . . . 21 . hz parsed_1s6w 1
30 1 2 . . . . . . . . . 20 . hb* parsed_1s6w 1
31 1 1 . . . . . . . . . 21 . hd* parsed_1s6w 1
31 1 1 . . . . . . . . . 21 . hz parsed_1s6w 1
31 1 2 . . . . . . . . . 20 . hb* parsed_1s6w 1
32 1 1 . . . . . . . . . 21 . hd* parsed_1s6w 1
32 1 1 . . . . . . . . . 21 . hz parsed_1s6w 1
32 1 2 . . . . . . . . . 4 . ha* parsed_1s6w 1
33 1 1 . . . . . . . . . 21 . hd* parsed_1s6w 1
33 1 1 . . . . . . . . . 21 . hz parsed_1s6w 1
33 1 2 . . . . . . . . . 5 . ha parsed_1s6w 1
34 1 1 . . . . . . . . . 21 . hd* parsed_1s6w 1
34 1 1 . . . . . . . . . 21 . hz parsed_1s6w 1
34 1 2 . . . . . . . . . 21 . ha parsed_1s6w 1
35 1 1 . . . . . . . . . 7 . hn parsed_1s6w 1
35 1 2 . . . . . . . . . 12 . hb* parsed_1s6w 1
35 1 2 . . . . . . . . . 12 . he* parsed_1s6w 1
36 1 1 . . . . . . . . . 14 . hn parsed_1s6w 1
36 1 2 . . . . . . . . . 6 . hb* parsed_1s6w 1
36 1 2 . . . . . . . . . 7 . hb* parsed_1s6w 1
37 1 1 . . . . . . . . . 6 . ha parsed_1s6w 1
37 1 1 . . . . . . . . . 8 . ha parsed_1s6w 1
37 1 2 . . . . . . . . . 12 . hb* parsed_1s6w 1
37 1 2 . . . . . . . . . 12 . he* parsed_1s6w 1
38 1 1 . . . . . . . . . 6 . ha parsed_1s6w 1
38 1 2 . . . . . . . . . 12 . hb* parsed_1s6w 1
38 1 2 . . . . . . . . . 12 . he* parsed_1s6w 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 . . . . . 3.50 1.80 3.50 parsed_1s6w 1
2 1 . . . . . 5.00 1.80 5.00 parsed_1s6w 1
3 1 . . . . . 5.00 1.80 5.00 parsed_1s6w 1
4 1 . . . . . 5.00 1.80 5.00 parsed_1s6w 1
5 1 . . . . . 5.00 1.80 5.00 parsed_1s6w 1
6 1 . . . . . 5.50 1.80 5.50 parsed_1s6w 1
7 1 . . . . . 4.19 1.80 4.19 parsed_1s6w 1
8 1 . . . . . 4.44 1.80 4.44 parsed_1s6w 1
9 1 . . . . . 3.15 1.80 3.15 parsed_1s6w 1
10 1 . . . . . 3.26 1.80 3.26 parsed_1s6w 1
11 1 . . . . . 4.09 1.80 4.09 parsed_1s6w 1
12 1 . . . . . 3.7 1.8 3.7 parsed_1s6w 1
13 1 . . . . . 0.0 -1.8 3.5 parsed_1s6w 1
14 1 . . . . . 3.18 1.80 3.18 parsed_1s6w 1
15 1 . . . . . 3.95 1.80 3.95 parsed_1s6w 1
16 1 . . . . . 4.24 1.80 4.24 parsed_1s6w 1
17 1 . . . . . 3.72 1.80 3.72 parsed_1s6w 1
18 1 . . . . . 3.42 1.80 3.42 parsed_1s6w 1
19 1 . . . . . 4.02 1.80 4.02 parsed_1s6w 1
20 1 . . . . . 3.77 1.80 3.77 parsed_1s6w 1
21 1 . . . . . 3.85 1.80 3.85 parsed_1s6w 1
22 1 . . . . . 4.75 1.80 4.75 parsed_1s6w 1
23 1 . . . . . 0.0 -1.8 5.5 parsed_1s6w 1
24 1 . . . . . 0.0 -1.8 5.5 parsed_1s6w 1
25 1 . . . . . 0.0 -1.8 5.5 parsed_1s6w 1
26 1 . . . . . 0.0 -1.8 5.5 parsed_1s6w 1
27 1 . . . . . 0.0 -1.8 5.5 parsed_1s6w 1
28 1 . . . . . 0.0 -1.8 5.5 parsed_1s6w 1
29 1 . . . . . 0.0 -1.8 5.0 parsed_1s6w 1
30 1 . . . . . 0.0 -1.8 5.5 parsed_1s6w 1
31 1 . . . . . 0.0 -1.8 5.0 parsed_1s6w 1
32 1 . . . . . 0.0 -1.8 5.5 parsed_1s6w 1
33 1 . . . . . 0.0 -1.8 5.5 parsed_1s6w 1
34 1 . . . . . 0.0 -1.8 5.0 parsed_1s6w 1
35 1 . . . . . 0.0 -1.8 5.0 parsed_1s6w 1
36 1 . . . . . 0.0 -1.8 5.0 parsed_1s6w 1
37 1 . . . . . 0.0 -1.8 5.0 parsed_1s6w 1
38 1 . . . . . 0.0 -1.8 5.0 parsed_1s6w 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 "ones not calibrated with cyana:" 2 1 2 33 parsed_1s6w 1
2 "18 335000" 11 70 11 81 parsed_1s6w 1
3 "19 239000" 12 70 12 81 parsed_1s6w 1
4 "8 1870000" 13 68 13 79 parsed_1s6w 1
5 "5 1500000" 14 68 14 79 parsed_1s6w 1
6 "3 392000" 15 68 15 78 parsed_1s6w 1
7 "15 715000" 16 68 16 79 parsed_1s6w 1
8 "6 1590000" 17 67 17 78 parsed_1s6w 1
9 "11 1770000" 18 70 18 82 parsed_1s6w 1
10 "12 483000" 19 70 19 81 parsed_1s6w 1
11 "17 315000" 20 70 20 81 parsed_1s6w 1
12 "14 689000" 21 71 21 82 parsed_1s6w 1
13 "114 1140000" 22 71 22 84 parsed_1s6w 1
14 "16 432000" 23 71 23 82 parsed_1s6w 1
15 "116 638000" 24 71 24 83 parsed_1s6w 1
16 "7 560000" 25 68 25 78 parsed_1s6w 1
17 "21 158000" 26 70 26 81 parsed_1s6w 1
18 2 32 99 32 102 parsed_1s6w 1
19 3 33 124 33 127 parsed_1s6w 1
20 3 35 96 35 99 parsed_1s6w 1
21 3 37 98 37 106 parsed_1s6w 1
22 2 38 99 38 107 parsed_1s6w 1
23 4 40 99 40 105 parsed_1s6w 1
24 2 41 100 41 106 parsed_1s6w 1
25 4 42 100 42 107 parsed_1s6w 1
26 3 44 99 44 102 parsed_1s6w 1
27 3 45 98 45 104 parsed_1s6w 1
28 8 47 99 47 102 parsed_1s6w 1
29 "7 could be to 6" 50 95 50 117 parsed_1s6w 1
30 1 51 96 51 102 parsed_1s6w 1
31 3 54 122 54 125 parsed_1s6w 1
32 3 56 95 56 98 parsed_1s6w 1
stop_
save_
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