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 |
|
|
647468 |
6jwd   |
cing | 2-parsed | STAR | distance | NOE | ambi | 23 |
data_6jwd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6jwd
_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_6jwd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6jwd
_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 6jwd "Master copy" parsed_6jwd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6jwd
_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 6jwd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6jwd 1
1 6jwd.mr . . XPLOR/CNS 2 distance NOE simple 290 parsed_6jwd 1
1 6jwd.mr . . XPLOR/CNS 3 distance NOE ambi 23 parsed_6jwd 1
1 6jwd.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6jwd 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6jwd
_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_6jwd 1
2 1 . . . parsed_6jwd 1
3 1 . . . parsed_6jwd 1
4 1 . . . parsed_6jwd 1
5 1 . . . parsed_6jwd 1
6 1 . . . parsed_6jwd 1
7 1 . . . parsed_6jwd 1
8 1 . . . parsed_6jwd 1
9 1 . . . parsed_6jwd 1
10 1 . . . parsed_6jwd 1
11 1 . . . parsed_6jwd 1
12 1 . . . parsed_6jwd 1
13 1 . . . parsed_6jwd 1
14 1 . . . parsed_6jwd 1
15 1 . . . parsed_6jwd 1
16 1 . . . parsed_6jwd 1
17 1 . . . parsed_6jwd 1
18 1 . . . parsed_6jwd 1
19 1 . . . parsed_6jwd 1
20 1 . . . parsed_6jwd 1
21 1 . . . parsed_6jwd 1
22 1 . . . parsed_6jwd 1
23 1 . . . parsed_6jwd 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 . . . . . . . . BER 1 . H161 parsed_6jwd 1
1 1 2 . . . . . . . . BER 1 . H201 parsed_6jwd 1
1 1 2 . . . . . . . . BER 1 . H202 parsed_6jwd 1
1 1 2 . . . . . . . . BER 1 . H203 parsed_6jwd 1
2 1 1 . . . . . . . . BER 1 . H91 parsed_6jwd 1
2 1 2 . . . . . . . . BER 1 . H101 parsed_6jwd 1
2 1 2 . . . . . . . . BER 1 . H102 parsed_6jwd 1
3 1 1 . . . . . . . . BER 1 . H71 parsed_6jwd 1
3 1 1 . . . . . . . . BER 1 . H72 parsed_6jwd 1
3 1 2 . . . . . . . . BER 1 . H101 parsed_6jwd 1
3 1 2 . . . . . . . . BER 1 . H102 parsed_6jwd 1
4 1 1 . . . . . . . . BER 1 . H71 parsed_6jwd 1
4 1 1 . . . . . . . . BER 1 . H72 parsed_6jwd 1
4 1 2 . . . . . . . . BER 1 . H101 parsed_6jwd 1
4 1 2 . . . . . . . . BER 1 . H102 parsed_6jwd 1
5 1 1 . . . . . . . . BER 1 . H191 parsed_6jwd 1
5 1 1 . . . . . . . . BER 1 . H192 parsed_6jwd 1
5 1 1 . . . . . . . . BER 1 . H193 parsed_6jwd 1
5 1 2 . . . . . . . . BER 1 . H201 parsed_6jwd 1
5 1 2 . . . . . . . . BER 1 . H202 parsed_6jwd 1
5 1 2 . . . . . . . . BER 1 . H203 parsed_6jwd 1
6 1 1 . . . . . . . . BER 1 . H101 parsed_6jwd 1
6 1 2 . . . . . . . . BER 1 . H102 parsed_6jwd 1
7 1 1 . . . . . . . . RET 3 . H2'' parsed_6jwd 1
7 1 2 . . . . . . . . BER 1 . H51 parsed_6jwd 1
8 1 1 . . . . . . . . RET 3 . H2'' parsed_6jwd 1
8 1 2 . . . . . . . . BER 1 . H171 parsed_6jwd 1
8 1 2 . . . . . . . . BER 1 . H172 parsed_6jwd 1
9 1 1 . . . . . . . . RET 9 . H8 parsed_6jwd 1
9 1 2 . . . . . . . . BER 1 . H51 parsed_6jwd 1
10 1 1 . . . . . . . . RET 13 . H2' parsed_6jwd 1
10 1 2 . . . . . . . . BER 1 . H191 parsed_6jwd 1
10 1 2 . . . . . . . . BER 1 . H192 parsed_6jwd 1
10 1 2 . . . . . . . . BER 1 . H193 parsed_6jwd 1
11 1 1 . . . . . . . . RET 13 . H2'' parsed_6jwd 1
11 1 2 . . . . . . . . BER 1 . H191 parsed_6jwd 1
11 1 2 . . . . . . . . BER 1 . H192 parsed_6jwd 1
11 1 2 . . . . . . . . BER 1 . H193 parsed_6jwd 1
12 1 1 . . . . . . . . RET 13 . H1 parsed_6jwd 1
12 1 2 . . . . . . . . BER 1 . H71 parsed_6jwd 1
12 1 2 . . . . . . . . BER 1 . H72 parsed_6jwd 1
13 1 1 . . . . . . . . RET 13 . H8 parsed_6jwd 1
13 1 2 . . . . . . . . BER 1 . H191 parsed_6jwd 1
13 1 2 . . . . . . . . BER 1 . H192 parsed_6jwd 1
13 1 2 . . . . . . . . BER 1 . H193 parsed_6jwd 1
14 1 1 . . . . . . . . RET 14 . H1' parsed_6jwd 1
14 1 2 . . . . . . . . BER 1 . H201 parsed_6jwd 1
14 1 2 . . . . . . . . BER 1 . H202 parsed_6jwd 1
14 1 2 . . . . . . . . BER 1 . H203 parsed_6jwd 1
15 1 1 . . . . . . . . RET 14 . H21 parsed_6jwd 1
15 1 2 . . . . . . . . BER 1 . H101 parsed_6jwd 1
15 1 2 . . . . . . . . BER 1 . H102 parsed_6jwd 1
16 1 1 . . . . . . . . RET 16 . H1' parsed_6jwd 1
16 1 2 . . . . . . . . BER 1 . H161 parsed_6jwd 1
17 1 1 . . . . . . . . RET 16 . H2' parsed_6jwd 1
17 1 2 . . . . . . . . BER 1 . H201 parsed_6jwd 1
17 1 2 . . . . . . . . BER 1 . H202 parsed_6jwd 1
17 1 2 . . . . . . . . BER 1 . H203 parsed_6jwd 1
18 1 1 . . . . . . . . RET 16 . H2'' parsed_6jwd 1
18 1 2 . . . . . . . . BER 1 . H71 parsed_6jwd 1
18 1 2 . . . . . . . . BER 1 . H72 parsed_6jwd 1
19 1 1 . . . . . . . . RET 19 . H1 parsed_6jwd 1
19 1 2 . . . . . . . . BER 1 . H71 parsed_6jwd 1
19 1 2 . . . . . . . . BER 1 . H72 parsed_6jwd 1
20 1 1 . . . . . . . . RET 20 . H1' parsed_6jwd 1
20 1 2 . . . . . . . . BER 1 . H31 parsed_6jwd 1
21 1 1 . . . . . . . . RET 20 . H2' parsed_6jwd 1
21 1 2 . . . . . . . . BER 1 . H31 parsed_6jwd 1
22 1 1 . . . . . . . . RET 16 . H2' parsed_6jwd 1
22 1 2 . . . . . . . . BER 1 . H191 parsed_6jwd 1
22 1 2 . . . . . . . . BER 1 . H192 parsed_6jwd 1
22 1 2 . . . . . . . . BER 1 . H193 parsed_6jwd 1
23 1 1 . . . . . . . . RET 4 . H1' parsed_6jwd 1
23 1 2 . . . . . . . . BER 1 . H171 parsed_6jwd 1
23 1 2 . . . . . . . . BER 1 . H172 parsed_6jwd 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 . . . . . 1.8 1.8 3.5 parsed_6jwd 1
2 1 . . . . . 1.8 1.8 6.0 parsed_6jwd 1
3 1 . . . . . 1.8 1.8 3.5 parsed_6jwd 1
4 1 . . . . . 1.8 1.8 3.5 parsed_6jwd 1
5 1 . . . . . 1.8 1.8 5.0 parsed_6jwd 1
6 1 . . . . . 1.8 1.8 3.5 parsed_6jwd 1
7 1 . . . . . 1.8 1.8 7.3 parsed_6jwd 1
8 1 . . . . . 1.8 1.8 6.0 parsed_6jwd 1
9 1 . . . . . 1.8 1.8 8.3 parsed_6jwd 1
10 1 . . . . . 1.8 1.8 7.0 parsed_6jwd 1
11 1 . . . . . 1.8 1.8 7.0 parsed_6jwd 1
12 1 . . . . . 1.8 1.8 6.0 parsed_6jwd 1
13 1 . . . . . 1.8 1.8 7.0 parsed_6jwd 1
14 1 . . . . . 1.8 1.8 7.0 parsed_6jwd 1
15 1 . . . . . 1.8 1.8 5.0 parsed_6jwd 1
16 1 . . . . . 1.8 1.8 7.0 parsed_6jwd 1
17 1 . . . . . 1.8 1.8 6.0 parsed_6jwd 1
18 1 . . . . . 1.8 1.8 9.0 parsed_6jwd 1
19 1 . . . . . 1.8 1.8 6.0 parsed_6jwd 1
20 1 . . . . . 1.8 1.8 3.5 parsed_6jwd 1
21 1 . . . . . 1.8 1.8 5.3 parsed_6jwd 1
22 1 . . . . . 1.8 1.8 6.0 parsed_6jwd 1
23 1 . . . . . 1.8 1.8 6.0 parsed_6jwd 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
;
berberine
intra
;
1 1 3 8 parsed_6jwd 1
2 "! two different H" 12 74 12 92 parsed_6jwd 1
3 "! two different H" 15 74 15 92 parsed_6jwd 1
4 inter 23 1 23 7 parsed_6jwd 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
;
assign (segid RET and resid 16 and name H2'��)
(segid BER and resid 1 and (name H201 or name H202 or name H203)) 1.8 0.0 4.2
;
70 1 71 84 parsed_6jwd 1
stop_
save_
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