Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
48488 | 2jm0 RC | 15000 | cing | 2-parsed | STAR | distance | general distance | simple | 18 |
data_2jm0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jm0
_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_2jm0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jm0
_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 2jm0 "Master copy" parsed_2jm0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jm0
_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 2jm0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jm0 1
1 2jm0.mr . . XPLOR/CNS 2 distance NOE ambi 675 parsed_2jm0 1
1 2jm0.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 95 parsed_2jm0 1
1 2jm0.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 12 parsed_2jm0 1
1 2jm0.mr . . XPLOR/CNS 5 distance "general distance" simple 18 parsed_2jm0 1
1 2jm0.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jm0 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2jm0
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_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_2jm0 1
2 1 . . . parsed_2jm0 1
3 1 . . . parsed_2jm0 1
4 1 . . . parsed_2jm0 1
5 1 . . . parsed_2jm0 1
6 1 . . . parsed_2jm0 1
7 1 . . . parsed_2jm0 1
8 1 . . . parsed_2jm0 1
9 1 . . . parsed_2jm0 1
10 1 . . . parsed_2jm0 1
11 1 . . . parsed_2jm0 1
12 1 . . . parsed_2jm0 1
13 1 . . . parsed_2jm0 1
14 1 . . . parsed_2jm0 1
15 1 . . . parsed_2jm0 1
16 1 . . . parsed_2jm0 1
17 1 . . . parsed_2jm0 1
18 1 . . . parsed_2jm0 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 . FD# parsed_2jm0 1
1 1 2 . . . . . . . . . 10 . HB1 parsed_2jm0 1
1 1 2 . . . . . . . . . 10 . HB2 parsed_2jm0 1
2 1 1 . . . . . . . . . 10 . FD# parsed_2jm0 1
2 1 2 . . . . . . . . . 10 . HB1 parsed_2jm0 1
2 1 2 . . . . . . . . . 10 . HB2 parsed_2jm0 1
3 1 1 . . . . . . . . . 10 . FE# parsed_2jm0 1
3 1 2 . . . . . . . . . 10 . HB1 parsed_2jm0 1
3 1 2 . . . . . . . . . 10 . HB2 parsed_2jm0 1
4 1 1 . . . . . . . . . 10 . FE# parsed_2jm0 1
4 1 2 . . . . . . . . . 10 . HB1 parsed_2jm0 1
4 1 2 . . . . . . . . . 10 . HB2 parsed_2jm0 1
5 1 1 . . . . . . . . . 10 . FD# parsed_2jm0 1
5 1 2 . . . . . . . . . 9 . HB parsed_2jm0 1
6 1 1 . . . . . . . . . 10 . FZ parsed_2jm0 1
6 1 2 . . . . . . . . . 9 . HB parsed_2jm0 1
7 1 1 . . . . . . . . . 10 . FZ parsed_2jm0 1
7 1 2 . . . . . . . . . 32 . HG1 parsed_2jm0 1
7 1 2 . . . . . . . . . 32 . HG2 parsed_2jm0 1
8 1 1 . . . . . . . . . 10 . FZ parsed_2jm0 1
8 1 2 . . . . . . . . . 34 . HD2# parsed_2jm0 1
9 1 1 . . . . . . . . . 10 . FZ parsed_2jm0 1
9 1 2 . . . . . . . . . 6 . HA parsed_2jm0 1
10 1 1 . . . . . . . . . 10 . FE# parsed_2jm0 1
10 1 2 . . . . . . . . . 6 . HE1 parsed_2jm0 1
10 1 2 . . . . . . . . . 6 . HE2 parsed_2jm0 1
11 1 1 . . . . . . . . . 10 . FE# parsed_2jm0 1
11 1 2 . . . . . . . . . 17 . HZ parsed_2jm0 1
12 1 1 . . . . . . . . . 10 . FE# parsed_2jm0 1
12 1 2 . . . . . . . . . 6 . HA parsed_2jm0 1
13 1 1 . . . . . . . . . 10 . FE# parsed_2jm0 1
13 1 2 . . . . . . . . . 9 . HB parsed_2jm0 1
14 1 1 . . . . . . . . . 10 . FE# parsed_2jm0 1
14 1 2 . . . . . . . . . 34 . HD2# parsed_2jm0 1
15 1 1 . . . . . . . . . 10 . FE# parsed_2jm0 1
15 1 2 . . . . . . . . . 9 . HG2# parsed_2jm0 1
16 1 1 . . . . . . . . . 10 . FE# parsed_2jm0 1
16 1 2 . . . . . . . . . 28 . HB1 parsed_2jm0 1
16 1 2 . . . . . . . . . 28 . HB2 parsed_2jm0 1
17 1 1 . . . . . . . . . 10 . FE# parsed_2jm0 1
17 1 2 . . . . . . . . . 28 . HD1# parsed_2jm0 1
18 1 1 . . . . . . . . . 10 . FE# parsed_2jm0 1
18 1 2 . . . . . . . . . 28 . HD2# parsed_2jm0 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 . . . . . 2.8 1.6 4.0 parsed_2jm0 1
2 1 . . . . . 2.8 1.6 4.0 parsed_2jm0 1
3 1 . . . . . 4.0 2.4 5.6 parsed_2jm0 1
4 1 . . . . . 5.0 3.0 7.0 parsed_2jm0 1
5 1 . . . . . 4.0 2.4 5.6 parsed_2jm0 1
6 1 . . . . . 3.0 1.8 4.2 parsed_2jm0 1
7 1 . . . . . 4.0 2.4 5.6 parsed_2jm0 1
8 1 . . . . . 4.0 2.4 5.6 parsed_2jm0 1
9 1 . . . . . 4.0 2.4 5.6 parsed_2jm0 1
10 1 . . . . . 2.0 1.2 2.8 parsed_2jm0 1
11 1 . . . . . 2.0 1.2 2.8 parsed_2jm0 1
12 1 . . . . . 3.0 1.8 4.2 parsed_2jm0 1
13 1 . . . . . 2.0 1.2 2.8 parsed_2jm0 1
14 1 . . . . . 4.0 2.4 5.6 parsed_2jm0 1
15 1 . . . . . 4.0 2.4 5.6 parsed_2jm0 1
16 1 . . . . . 5.0 3.0 7.0 parsed_2jm0 1
17 1 . . . . . 5.0 3.0 7.0 parsed_2jm0 1
18 1 . . . . . 4.0 2.4 5.6 parsed_2jm0 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
;
intra:
2.86 ppm and 2.59 ppm
;
2 1 4 23 parsed_2jm0 1
2 "2.86 ppm (medium) and 2.59 ppm (v. weak)" 8 1 8 42 parsed_2jm0 1
3
;
inter:
1.68 ppm choose one (equally probable):
;
12 1 14 41 parsed_2jm0 1
4
;
assign (resid 10 and name FD# ) (resid 28 and (name HB2 or name HB1 )) 4.0 1.6 1.6
assign (resid 10 and name FD# ) (resid 29 and (name HG2 or name HG1 )) 4.0 1.6 1.6
assign (resid 10 and name FD# ) (resid 32 and (name HB2 or name HB1 )) 4.0 1.6 1.6
1.68 ppm choose one (equally probable):
;
16 1 20 41 parsed_2jm0 1
5
;
assign (resid 10 and name FZ ) (resid 28 and (name HB2 or name HB1 )) 3.0 1.2 1.2
assign (resid 10 and name FZ ) (resid 29 and (name HG2 or name HG1 )) 3.0 1.2 1.2
assign (resid 10 and name FZ ) (resid 32 and (name HB2 or name HB1 )) 3.0 1.2 1.2
1.45 ppm choose one (first probable):
;
22 1 26 39 parsed_2jm0 1
6
;
assign (resid 10 and name FZ ) (resid 34 and (name HB1 or name HB2 )) 4.0 1.6 1.6
assign (resid 10 and name FZ ) (resid 34 and (name HG1 or name HG2 )) 4.0 1.6 1.6
0.65 ppm choose one (first probable):
;
28 1 31 39 parsed_2jm0 1
7
;
assign (resid 10 and name FZ ) (resid 24 and (name HG2 or name HG1 )) 3.0 1.2 1.2
3.94 ppm choose one (first probable):
;
33 1 35 39 parsed_2jm0 1
8
;
assign (resid 10 and name FZ ) (resid 33 and (name HA1 or name HA2 )) 4.0 1.6 1.6
assign (resid 10 and name FZ ) (resid 7 and name HA ) 4.0 1.6 1.6
assign (resid 10 and name FZ ) (resid 11 and name (HA1 or name HA2 )) 4.0 1.6 1.6
7.23 ppm choose one (first probable):
;
37 1 41 39 parsed_2jm0 1
9
;
assign (resid 10 and name FE# ) (resid 17 and name HZ ) 2.0 0.8 0.8
assign (resid 10 and name FE# ) (resid 29 and name HE ) 2.0 0.8 0.8
assign (resid 10 and name FE# ) (resid 35 and name HZ ) 2.0 0.8 0.8
assign (resid 10 and name FE# ) (resid 35 and (name HD1 or name HD2 )) 2.0 0.8 0.8
7.15 ppm choose one (first probable):
;
43 1 48 39 parsed_2jm0 1
10
;
assign (resid 10 and name FE# ) (resid 35 and (name HD1 or name HD2 )) 2.0 0.8 0.8
assign (resid 10 and name FE# ) (resid 35 and name HZ ) 2.0 0.8 0.8
assign (resid 10 and name FE# ) (resid 14 and name HE ) 2.0 0.8 0.8
assign (resid 10 and name FE# ) (resid 24 and name HE ) 2.0 0.8 0.8
3.94 ppm choose one (first probable):
;
50 1 55 39 parsed_2jm0 1
11
;
assign (resid 10 and name FE# ) (resid 33 and (name HA1 or name HA2 )) 5.0 2.0 2.0
assign (resid 10 and name FE# ) (resid 7 and name HA ) 3.0 1.2 1.2
assign (resid 10 and name FE# ) (resid 11 and name (HA1 or name HA2 )) 3.0 1.2 1.2
1.68 ppm choose one (equally probable):
;
57 1 61 41 parsed_2jm0 1
12
;
assign (resid 10 and name FE# ) (resid 28 and (name HB2 or name HB1 )) 2.0 0.8 0.8
assign (resid 10 and name FE# ) (resid 29 and (name HG2 or name HG1 )) 2.0 0.8 0.8
assign (resid 10 and name FE# ) (resid 32 and (name HB2 or name HB1 )) 2.0 0.8 0.8
0.65 ppm choose one (first probable):
;
63 1 67 39 parsed_2jm0 1
13
;
assign (resid 10 and name FE# ) (resid 24 and (name HG2 or name HG1 )) 4.0 1.6 1.6
0.36 ppm choose one (first probable):
;
69 1 71 39 parsed_2jm0 1
14 "2.21 ppm:" 74 1 74 11 parsed_2jm0 1
15
;
assign (resid 10 and name FE# ) (resid 12 and (name HB2 or name HB1 )) 5.0 2.0 2.0
assign (resid 10 and name FE# ) (resid 12 and name HE# ) 5.0 2.0 2.0
assign (resid 10 and name FE# ) (resid 31 and (name HB1 or name HB2 )) 5.0 2.0 2.0
0.95 ppm choose one (equally probable):
;
76 1 80 41 parsed_2jm0 1
16
;
assign (resid 10 and name FE# ) (resid 28 and name HD2# ) 4.0 1.6 1.6
assign (resid 10 and name FE# ) (resid 14 and (name HG1 or name HG2 )) 4.0 1.6 1.6
assign (resid 10 and name FE# ) (resid 9 and name HG1# ) 4.0 1.6 1.6
0.91 ppm choose one (equally probable):
;
82 1 86 41 parsed_2jm0 1
17
;
assign (resid 10 and name FE# ) (resid 14 and (name HG1 or name HG2 )) 4.0 1.6 1.6
assign (resid 10 and name FE# ) (resid 28 and name HD1# ) 4.0 1.6 1.6
assign (resid 10 and name FE# ) (resid 9 and name HG1# ) 4.0 1.6 1.6
;
88 1 90 70 parsed_2jm0 1
stop_
save_