NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
39325 |
1sy9   |
5480 | cing | 2-parsed | STAR | distance | NOE | simple | 28 |
data_1sy9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1sy9
_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_1sy9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1sy9
_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 1sy9 "Master copy" parsed_1sy9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1sy9
_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 1sy9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1sy9 1
1 1sy9.mr . . XPLOR/CNS 2 distance NOE simple 1339 parsed_1sy9 1
1 1sy9.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 52 parsed_1sy9 1
1 1sy9.mr . . XPLOR/CNS 4 distance NOE simple 1564 parsed_1sy9 1
1 1sy9.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 44 parsed_1sy9 1
1 1sy9.mr . . XPLOR/CNS 6 distance NOE simple 107 parsed_1sy9 1
1 1sy9.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 26 parsed_1sy9 1
1 1sy9.mr . . XPLOR/CNS 8 distance NOE simple 28 parsed_1sy9 1
1 1sy9.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1sy9 1
stop_
save_
save_CNS/XPLOR_distance_constraints_8
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1sy9
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 8
_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_1sy9 1
2 1 . . . parsed_1sy9 1
3 1 . . . parsed_1sy9 1
4 1 . . . parsed_1sy9 1
5 1 . . . parsed_1sy9 1
6 1 . . . parsed_1sy9 1
7 1 . . . parsed_1sy9 1
8 1 . . . parsed_1sy9 1
9 1 . . . parsed_1sy9 1
10 1 . . . parsed_1sy9 1
11 1 . . . parsed_1sy9 1
12 1 . . . parsed_1sy9 1
13 1 . . . parsed_1sy9 1
14 1 . . . parsed_1sy9 1
15 1 . . . parsed_1sy9 1
16 1 . . . parsed_1sy9 1
17 1 . . . parsed_1sy9 1
18 1 . . . parsed_1sy9 1
19 1 . . . parsed_1sy9 1
20 1 . . . parsed_1sy9 1
21 1 . . . parsed_1sy9 1
22 1 . . . parsed_1sy9 1
23 1 . . . parsed_1sy9 1
24 1 . . . parsed_1sy9 1
25 1 . . . parsed_1sy9 1
26 1 . . . parsed_1sy9 1
27 1 . . . parsed_1sy9 1
28 1 . . . parsed_1sy9 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 . . . . . . . . . 157 . HE2 parsed_1sy9 1
1 1 2 . . . . . . . . . 100 . HD1# parsed_1sy9 1
2 1 1 . . . . . . . . . 157 . HZ parsed_1sy9 1
2 1 2 . . . . . . . . . 100 . HD1# parsed_1sy9 1
3 1 1 . . . . . . . . . 157 . HZ parsed_1sy9 1
3 1 2 . . . . . . . . . 100 . HG2# parsed_1sy9 1
4 1 1 . . . . . . . . . 157 . HD2 parsed_1sy9 1
4 1 2 . . . . . . . . . 105 . HD1# parsed_1sy9 1
5 1 1 . . . . . . . . . 157 . HD2 parsed_1sy9 1
5 1 2 . . . . . . . . . 105 . HD2# parsed_1sy9 1
6 1 1 . . . . . . . . . 157 . HZ parsed_1sy9 1
6 1 2 . . . . . . . . . 105 . HD1# parsed_1sy9 1
7 1 1 . . . . . . . . . 157 . HZ parsed_1sy9 1
7 1 2 . . . . . . . . . 105 . HD2# parsed_1sy9 1
8 1 1 . . . . . . . . . 157 . HD2 parsed_1sy9 1
8 1 2 . . . . . . . . . 124 . HE# parsed_1sy9 1
9 1 1 . . . . . . . . . 157 . HZ parsed_1sy9 1
9 1 2 . . . . . . . . . 128 . HB1 parsed_1sy9 1
10 1 1 . . . . . . . . . 157 . HE2 parsed_1sy9 1
10 1 2 . . . . . . . . . 136 . HB parsed_1sy9 1
11 1 1 . . . . . . . . . 157 . HE2 parsed_1sy9 1
11 1 2 . . . . . . . . . 136 . HG1# parsed_1sy9 1
12 1 1 . . . . . . . . . 157 . HE2 parsed_1sy9 1
12 1 2 . . . . . . . . . 136 . HG2# parsed_1sy9 1
13 1 1 . . . . . . . . . 157 . HZ parsed_1sy9 1
13 1 2 . . . . . . . . . 136 . HB parsed_1sy9 1
14 1 1 . . . . . . . . . 157 . HZ parsed_1sy9 1
14 1 2 . . . . . . . . . 136 . HG1# parsed_1sy9 1
15 1 1 . . . . . . . . . 170 . HH2 parsed_1sy9 1
15 1 2 . . . . . . . . . 27 . HG11 parsed_1sy9 1
16 1 1 . . . . . . . . . 170 . HZ3 parsed_1sy9 1
16 1 2 . . . . . . . . . 27 . HG2# parsed_1sy9 1
17 1 1 . . . . . . . . . 170 . HE3 parsed_1sy9 1
17 1 2 . . . . . . . . . 32 . HD1# parsed_1sy9 1
18 1 1 . . . . . . . . . 170 . HH2 parsed_1sy9 1
18 1 2 . . . . . . . . . 32 . HD1# parsed_1sy9 1
19 1 1 . . . . . . . . . 170 . HH2 parsed_1sy9 1
19 1 2 . . . . . . . . . 32 . HD2# parsed_1sy9 1
20 1 1 . . . . . . . . . 170 . HZ2 parsed_1sy9 1
20 1 2 . . . . . . . . . 32 . HD1# parsed_1sy9 1
21 1 1 . . . . . . . . . 170 . HZ2 parsed_1sy9 1
21 1 2 . . . . . . . . . 32 . HD2# parsed_1sy9 1
22 1 1 . . . . . . . . . 170 . HZ3 parsed_1sy9 1
22 1 2 . . . . . . . . . 32 . HD2# parsed_1sy9 1
23 1 1 . . . . . . . . . 170 . HZ2 parsed_1sy9 1
23 1 2 . . . . . . . . . 52 . HA parsed_1sy9 1
24 1 1 . . . . . . . . . 170 . HZ2 parsed_1sy9 1
24 1 2 . . . . . . . . . 55 . HB parsed_1sy9 1
25 1 1 . . . . . . . . . 170 . HZ2 parsed_1sy9 1
25 1 2 . . . . . . . . . 55 . HG1# parsed_1sy9 1
26 1 1 . . . . . . . . . 170 . HZ2 parsed_1sy9 1
26 1 2 . . . . . . . . . 63 . HG2# parsed_1sy9 1
27 1 1 . . . . . . . . . 170 . HZ3 parsed_1sy9 1
27 1 2 . . . . . . . . . 63 . HD1# parsed_1sy9 1
28 1 1 . . . . . . . . . 170 . HH2 parsed_1sy9 1
28 1 2 . . . . . . . . . 71 . HE# parsed_1sy9 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 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
2 1 . . . . . 2.700 1.800 3.200 parsed_1sy9 1
3 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
4 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
5 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
6 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
7 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
8 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
9 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
10 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
11 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
12 1 . . . . . 4.000 1.800 4.500 parsed_1sy9 1
13 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
14 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
15 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
16 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
17 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
18 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
19 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
20 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
21 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
22 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
23 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
24 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
25 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
26 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
27 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 1
28 1 . . . . . 6.000 1.800 6.500 parsed_1sy9 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
;
assign (resid 157 and name HE1) (resid 85 and name HG2#) 6.000 4.2 0.5 ! dc54ce1.51
assign (resid 157 and name HZ) (resid 85 and name HG2#) 6.000 4.2 0.5 ! dc54ce1.52
assign (resid 157 and name HE1) (resid 100 and name HG2#) 6.000 4.2 0.5 ! dc54ce1.49
;
1 1 3 88 parsed_1sy9 1
2 dc54ce1.50 4 73 4 87 parsed_1sy9 1
3 dc54ce1.54 5 72 5 86 parsed_1sy9 1
4 dc54ce1.53 6 72 6 86 parsed_1sy9 1
5 dc54ce1.34 7 73 7 87 parsed_1sy9 1
6
;
dc54ce1.33
assign (resid 157 and name HE2) (resid 105 and name HD1#) 6.000 4.2 0.5 ! dc54ce1.43
;
8 73 9 88 parsed_1sy9 1
7 dc54ce1.57 10 72 10 86 parsed_1sy9 1
8
;
dc54ce1.58
assign (resid 157 and name HD2) (resid 120 and name HB2) 6.000 4.2 0.5 ! dc54ce1.36
;
11 72 12 87 parsed_1sy9 1
9
;
dc54ce1.38
assign (resid 157 and name HD2) (resid 125 and name HA) 6.000 4.2 0.5 ! dc54ce1.35
assign (resid 157 and name HE2) (resid 125 and name HD1#) 6.000 4.2 0.5 ! dc54ce1.47
assign (resid 157 and name HD2) (resid 128 and name HB1) 3.300 1.5 0.5 ! dc54ce1.31
assign (resid 157 and name HE2) (resid 128 and name HB1) 3.300 1.5 0.5 ! dc54ce1.40
;
13 72 17 87 parsed_1sy9 1
10
;
dc54ce1.60
assign (resid 157 and name HD2) (resid 136 and name HG2#) 6.000 4.2 0.5 ! dc54ce1.32
;
18 71 19 88 parsed_1sy9 1
11 dc54ce1.46 20 71 20 85 parsed_1sy9 1
12 dc54ce1.39 21 73 21 87 parsed_1sy9 1
13 dc54ce1.41 22 73 22 87 parsed_1sy9 1
14 dc54ce1.56 23 70 23 84 parsed_1sy9 1
15
;
dc54ce1.61
assign (resid 157 and name HZ) (resid 136 and name HG2#) 6.000 4.2 0.5 ! dc54ce1.59
assign (resid 157 and name HE2) (resid 142 and name HG1#) 6.000 4.2 0.5 ! dc54ce1.42
assign (resid 157 and name HD2) (resid 144 and name HE#) 3.300 1.5 0.5 ! dc54ce1.37
assign (resid 157 and name HE2) (resid 144 and name HE#) 6.000 4.2 0.5 ! dc54ce1.48
assign (resid 157 and name HZ) (resid 144 and name HE#) 2.700 0.9 0.5 ! dc54ce1.55
;
24 72 29 86 parsed_1sy9 1
16 dc54ce1.14 30 72 30 86 parsed_1sy9 1
17 dc54ce1.20 31 72 31 86 parsed_1sy9 1
18 dc54ce1.21 32 72 32 86 parsed_1sy9 1
19 dc54ce1.11 33 72 33 86 parsed_1sy9 1
20 dc54ce1.12 34 72 34 86 parsed_1sy9 1
21 dc54ce1.2 35 72 35 85 parsed_1sy9 1
22
;
dc54ce1.3
assign (resid 170 and name HZ3) (resid 32 and name HD1#) 3.300 1.5 0.5 ! dc54ce1.16
;
36 72 37 87 parsed_1sy9 1
23 dc54ce1.17 38 72 38 86 parsed_1sy9 1
24
;
dc54ce1.4
assign (resid 170 and name HZ2) (resid 52 and name HD1#) 6.000 4.2 0.5 ! dc54ce1.7
assign (resid 170 and name HH2) (resid 55 and name HG2#) 6.000 4.2 0.5 ! dc54ce1.10
;
39 70 41 87 parsed_1sy9 1
25 dc54ce1.5 42 70 42 83 parsed_1sy9 1
26
;
dc54ce1.1
assign (resid 170 and name HZ2) (resid 55 and name HG2#) 2.700 0.9 0.5 ! dc54ce1.0
assign (resid 170 and name HH2) (resid 63 and name HD1#) 2.700 0.9 0.5 ! dc54ce1.13
assign (resid 170 and name HZ2) (resid 63 and name HD1#) 2.700 0.9 0.5 ! dc54ce1.6
;
43 72 46 86 parsed_1sy9 1
27 dc54ce1.8 47 72 47 85 parsed_1sy9 1
28
;
dc54ce1.18
assign (resid 170 and name HE3) (resid 69 and name HD1#) 6.000 4.2 0.5 ! dc54ce1.22
assign (resid 170 and name HE3) (resid 71 and name HE#) 3.300 1.5 0.5 ! dc54ce1.24
;
48 72 50 86 parsed_1sy9 1
29
;
dc54ce1.15
assign (resid 170 and name HZ3) (resid 71 and name HE#) 6.000 4.2 0.5 ! dc54ce1.19
;
51 71 52 86 parsed_1sy9 1
stop_
save_
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