NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
647169 |
6szc   |
34439 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 29 |
data_6szc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6szc
_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_6szc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6szc
_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 6szc "Master copy" parsed_6szc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6szc
_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 6szc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6szc 1
1 6szc.mr . . XPLOR/CNS 2 distance NOE ambi 1800 parsed_6szc 1
1 6szc.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 29 parsed_6szc 1
1 6szc.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6szc 1
1 6szc.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6szc 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6szc
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_6szc 1
2 1 . . . parsed_6szc 1
3 1 . . . parsed_6szc 1
4 1 . . . parsed_6szc 1
5 1 . . . parsed_6szc 1
6 1 . . . parsed_6szc 1
7 1 . . . parsed_6szc 1
8 1 . . . parsed_6szc 1
9 1 . . . parsed_6szc 1
10 1 . . . parsed_6szc 1
11 1 . . . parsed_6szc 1
12 1 . . . parsed_6szc 1
13 1 . . . parsed_6szc 1
14 1 . . . parsed_6szc 1
15 1 . . . parsed_6szc 1
16 1 . . . parsed_6szc 1
17 1 . . . parsed_6szc 1
18 1 . . . parsed_6szc 1
19 1 . . . parsed_6szc 1
20 1 . . . parsed_6szc 1
21 1 . . . parsed_6szc 1
22 1 . . . parsed_6szc 1
23 1 . . . parsed_6szc 1
24 1 . . . parsed_6szc 1
25 1 . . . parsed_6szc 1
26 1 . . . parsed_6szc 1
27 1 . . . parsed_6szc 1
28 1 . . . parsed_6szc 1
29 1 . . . parsed_6szc 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 . . . . . . . . " A" 2068 . HN parsed_6szc 1
1 1 2 . . . . . . . . " A" 2110 . O parsed_6szc 1
2 1 1 . . . . . . . . " A" 2110 . HN parsed_6szc 1
2 1 2 . . . . . . . . " A" 2068 . O parsed_6szc 1
3 1 1 . . . . . . . . " A" 2069 . HN parsed_6szc 1
3 1 2 . . . . . . . . " A" 2073 . O parsed_6szc 1
4 1 1 . . . . . . . . " A" 2073 . HN parsed_6szc 1
4 1 2 . . . . . . . . " A" 2069 . O parsed_6szc 1
5 1 1 . . . . . . . . " A" 2076 . HN parsed_6szc 1
5 1 2 . . . . . . . . " A" 2084 . O parsed_6szc 1
6 1 1 . . . . . . . . " A" 2078 . HN parsed_6szc 1
6 1 2 . . . . . . . . " A" 2082 . O parsed_6szc 1
7 1 1 . . . . . . . . " A" 2078 . O parsed_6szc 1
7 1 2 . . . . . . . . " A" 2081 . HN parsed_6szc 1
8 1 1 . . . . . . . . " A" 2082 . HN parsed_6szc 1
8 1 2 . . . . . . . . " A" 2078 . O parsed_6szc 1
9 1 1 . . . . . . . . " A" 2083 . HN parsed_6szc 1
9 1 2 . . . . . . . . " A" 2095 . O parsed_6szc 1
10 1 1 . . . . . . . . " A" 2084 . HN parsed_6szc 1
10 1 2 . . . . . . . . " A" 2076 . O parsed_6szc 1
11 1 1 . . . . . . . . " A" 2085 . HN parsed_6szc 1
11 1 2 . . . . . . . . " A" 2093 . O parsed_6szc 1
12 1 1 . . . . . . . . " A" 2086 . HN parsed_6szc 1
12 1 2 . . . . . . . . " A" 2074 . O parsed_6szc 1
13 1 1 . . . . . . . . " A" 2090 . HN parsed_6szc 1
13 1 2 . . . . . . . . " A" 2087 . O parsed_6szc 1
14 1 1 . . . . . . . . " A" 2091 . HN parsed_6szc 1
14 1 2 . . . . . . . . " A" 2087 . O parsed_6szc 1
15 1 1 . . . . . . . . " A" 2093 . HN parsed_6szc 1
15 1 2 . . . . . . . . " A" 2085 . O parsed_6szc 1
16 1 1 . . . . . . . . " A" 2095 . HN parsed_6szc 1
16 1 2 . . . . . . . . " A" 2083 . O parsed_6szc 1
17 1 1 . . . . . . . . " A" 2107 . HN parsed_6szc 1
17 1 2 . . . . . . . . " A" 2123 . O parsed_6szc 1
18 1 1 . . . . . . . . " A" 2109 . HN parsed_6szc 1
18 1 2 . . . . . . . . " A" 2121 . O parsed_6szc 1
19 1 1 . . . . . . . . " A" 2111 . HN parsed_6szc 1
19 1 2 . . . . . . . . " A" 2119 . O parsed_6szc 1
20 1 1 . . . . . . . . " A" 2113 . HN parsed_6szc 1
20 1 2 . . . . . . . . " A" 2117 . O parsed_6szc 1
21 1 1 . . . . . . . . " A" 2117 . HN parsed_6szc 1
21 1 2 . . . . . . . . " A" 2113 . OD1 parsed_6szc 1
22 1 1 . . . . . . . . " A" 2119 . HN parsed_6szc 1
22 1 2 . . . . . . . . " A" 2111 . O parsed_6szc 1
23 1 1 . . . . . . . . " A" 2097 . HN parsed_6szc 1
23 1 2 . . . . . . . . " A" 2081 . O parsed_6szc 1
24 1 1 . . . . . . . . " A" 2065 . HN parsed_6szc 1
24 1 2 . . . . . . . . " A" 2062 . O parsed_6szc 1
25 1 1 . . . . . . . . " A" 2059 . HN parsed_6szc 1
25 1 2 . . . . . . . . " A" 2056 . O parsed_6szc 1
26 1 1 . . . . . . . . " A" 2081 . HE21 parsed_6szc 1
26 1 2 . . . . . . . . " A" 2105 . O parsed_6szc 1
27 1 1 . . . . . . . . " A" 2081 . HE22 parsed_6szc 1
27 1 2 . . . . . . . . " A" 2084 . OH parsed_6szc 1
28 1 1 . . . . . . . . " A" 2112 . HN parsed_6szc 1
28 1 2 . . . . . . . . " A" 2066 . O parsed_6szc 1
29 1 1 . . . . . . . . " A" 2068 . HG1 parsed_6szc 1
29 1 2 . . . . . . . . " A" 2066 . OE1 parsed_6szc 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 . . . . . 2.200 1.730 2.700 parsed_6szc 1
2 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
3 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
4 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
5 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
6 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
7 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
8 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
9 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
10 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
11 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
12 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
13 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
14 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
15 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
16 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
17 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
18 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
19 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
20 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
21 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
22 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
23 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
24 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
25 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
26 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
27 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
28 1 . . . . . 2.200 1.730 2.700 parsed_6szc 1
29 1 . . . . . 2.200 1.730 2.700 parsed_6szc 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 "# Restraints file 2: csha_hbond_restraints.tbl" 1 1 1 46 parsed_6szc 1
stop_
save_
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