NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
653630 |
6v4i   |
30692 | cing | 2-parsed | STAR | distance | NOE | simple | 36 |
data_6v4i_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6v4i
_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_6v4i 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6v4i
_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 6v4i "Master copy" parsed_6v4i
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6v4i
_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 6v4i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6v4i 1
1 6v4i.mr . . XPLOR/CNS 2 distance NOE simple 36 parsed_6v4i 1
1 6v4i.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_6v4i 1
1 6v4i.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6v4i 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6v4i
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_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_6v4i 1
2 1 . . . parsed_6v4i 1
3 1 . . . parsed_6v4i 1
4 1 . . . parsed_6v4i 1
5 1 . . . parsed_6v4i 1
6 1 . . . parsed_6v4i 1
7 1 . . . parsed_6v4i 1
8 1 . . . parsed_6v4i 1
9 1 . . . parsed_6v4i 1
10 1 . . . parsed_6v4i 1
11 1 . . . parsed_6v4i 1
12 1 . . . parsed_6v4i 1
13 1 . . . parsed_6v4i 1
14 1 . . . parsed_6v4i 1
15 1 . . . parsed_6v4i 1
16 1 . . . parsed_6v4i 1
17 1 . . . parsed_6v4i 1
18 1 . . . parsed_6v4i 1
19 1 . . . parsed_6v4i 1
20 1 . . . parsed_6v4i 1
21 1 . . . parsed_6v4i 1
22 1 . . . parsed_6v4i 1
23 1 . . . parsed_6v4i 1
24 1 . . . parsed_6v4i 1
25 1 . . . parsed_6v4i 1
26 1 . . . parsed_6v4i 1
27 1 . . . parsed_6v4i 1
28 1 . . . parsed_6v4i 1
29 1 . . . parsed_6v4i 1
30 1 . . . parsed_6v4i 1
31 1 . . . parsed_6v4i 1
32 1 . . . parsed_6v4i 1
33 1 . . . parsed_6v4i 1
34 1 . . . parsed_6v4i 1
35 1 . . . parsed_6v4i 1
36 1 . . . parsed_6v4i 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 . . . . . . . . . 1 . HA parsed_6v4i 1
1 1 2 . . . . . . . . . 2 . HI* parsed_6v4i 1
2 1 1 . . . . . . . . . 1 . HN parsed_6v4i 1
2 1 2 . . . . . . . . . 2 . HA parsed_6v4i 1
3 1 1 . . . . . . . . . 1 . HN parsed_6v4i 1
3 1 2 . . . . . . . . . 4 . HG2* parsed_6v4i 1
4 1 1 . . . . . . . . . 1 . HN parsed_6v4i 1
4 1 2 . . . . . . . . . 4 . HB parsed_6v4i 1
5 1 1 . . . . . . . . . 1 . HN parsed_6v4i 1
5 1 2 . . . . . . . . . 4 . HG1* parsed_6v4i 1
6 1 1 . . . . . . . . . 1 . HN parsed_6v4i 1
6 1 2 . . . . . . . . . 6 . HN parsed_6v4i 1
7 1 1 . . . . . . . . . 1 . HA parsed_6v4i 1
7 1 2 . . . . . . . . . 4 . HG2* parsed_6v4i 1
8 1 1 . . . . . . . . . 1 . HG** parsed_6v4i 1
8 1 2 . . . . . . . . . 2 . HA parsed_6v4i 1
9 1 1 . . . . . . . . . 1 . HG** parsed_6v4i 1
9 1 2 . . . . . . . . . 4 . HB parsed_6v4i 1
10 1 1 . . . . . . . . . 1 . HG** parsed_6v4i 1
10 1 2 . . . . . . . . . 4 . HG1* parsed_6v4i 1
11 1 1 . . . . . . . . . 2 . HA parsed_6v4i 1
11 1 2 . . . . . . . . . 4 . HN parsed_6v4i 1
12 1 1 . . . . . . . . . 2 . HE* parsed_6v4i 1
12 1 2 . . . . . . . . . 2 . HA parsed_6v4i 1
13 1 1 . . . . . . . . . 2 . HD* parsed_6v4i 1
13 1 2 . . . . . . . . . 2 . HA parsed_6v4i 1
14 1 1 . . . . . . . . . 2 . HD* parsed_6v4i 1
14 1 2 . . . . . . . . . 3 . HA parsed_6v4i 1
15 1 1 . . . . . . . . . 2 . HE* parsed_6v4i 1
15 1 2 . . . . . . . . . 2 . HB* parsed_6v4i 1
16 1 1 . . . . . . . . . 2 . HD* parsed_6v4i 1
16 1 2 . . . . . . . . . 2 . HB* parsed_6v4i 1
17 1 1 . . . . . . . . . 2 . HE* parsed_6v4i 1
17 1 2 . . . . . . . . . 3 . HB1 parsed_6v4i 1
18 1 1 . . . . . . . . . 2 . HD* parsed_6v4i 1
18 1 2 . . . . . . . . . 3 . HB1 parsed_6v4i 1
19 1 1 . . . . . . . . . 2 . HA parsed_6v4i 1
19 1 2 . . . . . . . . . 1 . HN parsed_6v4i 1
20 1 1 . . . . . . . . . 2 . HA parsed_6v4i 1
20 1 2 . . . . . . . . . 3 . HA parsed_6v4i 1
21 1 1 . . . . . . . . . 2 . HA parsed_6v4i 1
21 1 2 . . . . . . . . . 2 . HB1 parsed_6v4i 1
22 1 1 . . . . . . . . . 2 . HA parsed_6v4i 1
22 1 2 . . . . . . . . . 2 . HB2 parsed_6v4i 1
23 1 1 . . . . . . . . . 3 . HA parsed_6v4i 1
23 1 2 . . . . . . . . . 4 . HN parsed_6v4i 1
24 1 1 . . . . . . . . . 3 . HD1 parsed_6v4i 1
24 1 2 . . . . . . . . . 4 . HN parsed_6v4i 1
25 1 1 . . . . . . . . . 3 . HA parsed_6v4i 1
25 1 2 . . . . . . . . . 4 . HA parsed_6v4i 1
26 1 1 . . . . . . . . . 4 . HB parsed_6v4i 1
26 1 2 . . . . . . . . . 6 . HN parsed_6v4i 1
27 1 1 . . . . . . . . . 4 . HG1* parsed_6v4i 1
27 1 2 . . . . . . . . . 6 . HN parsed_6v4i 1
28 1 1 . . . . . . . . . 4 . HG2* parsed_6v4i 1
28 1 2 . . . . . . . . . 6 . HN parsed_6v4i 1
29 1 1 . . . . . . . . . 4 . HA parsed_6v4i 1
29 1 2 . . . . . . . . . 5 . HD* parsed_6v4i 1
30 1 1 . . . . . . . . . 4 . HB parsed_6v4i 1
30 1 2 . . . . . . . . . 5 . HD* parsed_6v4i 1
31 1 1 . . . . . . . . . 4 . HG2* parsed_6v4i 1
31 1 2 . . . . . . . . . 5 . HD* parsed_6v4i 1
32 1 1 . . . . . . . . . 4 . HG2* parsed_6v4i 1
32 1 2 . . . . . . . . . 5 . HG* parsed_6v4i 1
33 1 1 . . . . . . . . . 4 . HD1* parsed_6v4i 1
33 1 2 . . . . . . . . . 5 . HG* parsed_6v4i 1
34 1 1 . . . . . . . . . 4 . HG2* parsed_6v4i 1
34 1 2 . . . . . . . . . 6 . HG2* parsed_6v4i 1
35 1 1 . . . . . . . . . 5 . HA parsed_6v4i 1
35 1 2 . . . . . . . . . 6 . HN parsed_6v4i 1
36 1 1 . . . . . . . . . 5 . HA parsed_6v4i 1
36 1 2 . . . . . . . . . 6 . HA parsed_6v4i 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 . . . . . 0.0 0.0 4.3 parsed_6v4i 1
2 1 . . . . . 0.0 0.0 6.0 parsed_6v4i 1
3 1 . . . . . 0.0 0.0 6.0 parsed_6v4i 1
4 1 . . . . . 0.0 0.0 5.0 parsed_6v4i 1
5 1 . . . . . 0.0 0.0 6.0 parsed_6v4i 1
6 1 . . . . . 0.0 0.0 6.0 parsed_6v4i 1
7 1 . . . . . 0.0 0.0 6.0 parsed_6v4i 1
8 1 . . . . . 0.0 0.0 7.0 parsed_6v4i 1
9 1 . . . . . 0.0 0.0 7.0 parsed_6v4i 1
10 1 . . . . . 0.0 0.0 7.0 parsed_6v4i 1
11 1 . . . . . 0.0 0.0 5.0 parsed_6v4i 1
12 1 . . . . . 0.0 0.0 6.0 parsed_6v4i 1
13 1 . . . . . 0.0 0.0 5.0 parsed_6v4i 1
14 1 . . . . . 0.0 0.0 5.0 parsed_6v4i 1
15 1 . . . . . 0.0 0.0 7.0 parsed_6v4i 1
16 1 . . . . . 0.0 0.0 5.5 parsed_6v4i 1
17 1 . . . . . 0.0 0.0 7.5 parsed_6v4i 1
18 1 . . . . . 0.0 0.0 6.0 parsed_6v4i 1
19 1 . . . . . 0.0 0.0 6.0 parsed_6v4i 1
20 1 . . . . . 0.0 0.0 4.0 parsed_6v4i 1
21 1 . . . . . 0.0 0.0 6.0 parsed_6v4i 1
22 1 . . . . . 0.0 0.0 5.0 parsed_6v4i 1
23 1 . . . . . 0.0 0.0 5.0 parsed_6v4i 1
24 1 . . . . . 0.0 0.0 6.0 parsed_6v4i 1
25 1 . . . . . 0.0 0.0 6.0 parsed_6v4i 1
26 1 . . . . . 0.0 0.0 6.0 parsed_6v4i 1
27 1 . . . . . 0.0 0.0 7.0 parsed_6v4i 1
28 1 . . . . . 0.0 0.0 7.0 parsed_6v4i 1
29 1 . . . . . 0.0 0.0 4.0 parsed_6v4i 1
30 1 . . . . . 0.0 0.0 6.0 parsed_6v4i 1
31 1 . . . . . 0.0 0.0 6.0 parsed_6v4i 1
32 1 . . . . . 0.0 0.0 6.0 parsed_6v4i 1
33 1 . . . . . 0.0 0.0 7.0 parsed_6v4i 1
34 1 . . . . . 0.0 0.0 7.0 parsed_6v4i 1
35 1 . . . . . 0.0 0.0 3.5 parsed_6v4i 1
36 1 . . . . . 0.0 0.0 5.0 parsed_6v4i 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
;
DanD in DMSO cyclic NOE Assignment Table (from visual inspection)
t-butG F P I P ITZ 10(S) 9-7(M) 6-4 (W) and 3-1 (vW)
t-butG1
;
2 1 6 9 parsed_6v4i 1
2 "(13)s + 1.5" 7 83 7 96 parsed_6v4i 1
3 "1 VW" 8 83 8 89 parsed_6v4i 1
4 "1 vw" 9 83 9 89 parsed_6v4i 1
5 "4 w" 10 83 10 88 parsed_6v4i 1
6 "1 vw" 11 83 11 89 parsed_6v4i 1
7 "2 vw" 12 83 12 89 parsed_6v4i 1
8 "2 vw" 13 83 13 89 parsed_6v4i 1
9 "2 vw" 14 83 14 89 parsed_6v4i 1
10 "6 w" 15 83 15 88 parsed_6v4i 1
11
;
2 vw
F2
;
16 83 19 4 parsed_6v4i 1
12 (9)M 20 83 20 89 parsed_6v4i 1
13 "4 w" 21 83 21 89 parsed_6v4i 1
14 "10 s + 1" 22 83 22 94 parsed_6v4i 1
15
;
9 m + 1
assi(resi 2 and name HE* )(resi 3 and name HA ) 0.0 0.0 6.0 ! 5 w +1
assi(resi 2 and name HE* )(resi 6 and name HD* ) 0.0 0.0 6.0 ! 6 w +1
assi(resi 2 and name HD* )(resi 6 and name HD* ) 0.0 0.0 7.0 ! 2 vw
;
23 83 26 90 parsed_6v4i 1
16 2,2 27 83 27 88 parsed_6v4i 1
17 "13,13 to m" 28 83 28 95 parsed_6v4i 1
18 "3 vw" 29 83 29 89 parsed_6v4i 1
19 "3 vw" 30 83 30 89 parsed_6v4i 1
20 (1)vw 31 83 31 90 parsed_6v4i 1
21
;
(12)S, CIS AMIDE BOND to m
assi(resi 2 and name HI* )(resi 6 and name HA ) 0.0 0.0 6.0 ! 1
;
32 83 33 86 parsed_6v4i 1
22 "6 to vw" 34 83 34 92 parsed_6v4i 1
23
;
10
P3
;
35 83 38 4 parsed_6v4i 1
24 (6)W 39 83 39 89 parsed_6v4i 1
25 "4 VW" 40 83 40 89 parsed_6v4i 1
26
;
2 VW
I4
;
41 83 47 4 parsed_6v4i 1
27 "3 vW" 48 83 48 89 parsed_6v4i 1
28 "3 vW" 49 83 49 89 parsed_6v4i 1
29 "4 vW" 50 83 50 89 parsed_6v4i 1
30 "12 s" 51 83 51 89 parsed_6v4i 1
31 "6 W" 52 83 52 88 parsed_6v4i 1
32 "7 W" 53 83 53 88 parsed_6v4i 1
33 "3 vW" 54 83 54 89 parsed_6v4i 1
34 "1 vW" 55 83 55 89 parsed_6v4i 1
35
;
3 vW
P5
;
56 83 60 4 parsed_6v4i 1
36 11 62 83 62 87 parsed_6v4i 1
37
;
5 w
ITZ6
;
63 83 65 6 parsed_6v4i 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 1: DanD_noetable15.tbl" 1 1 1 40 parsed_6v4i 1
stop_
save_
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