NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
51331 |
2k6l   |
cing | 2-parsed | STAR | dipolar coupling | 68 |
data_2k6l_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k6l
_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_2k6l 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k6l
_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 2k6l "Master copy" parsed_2k6l
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k6l
_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 2k6l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k6l 1
1 2k6l.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 190 parsed_2k6l 1
1 2k6l.mr . . XPLOR/CNS 3 distance NOE simple 937 parsed_2k6l 1
1 2k6l.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 68 parsed_2k6l 1
1 2k6l.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2k6l 1
1 2k6l.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k6l 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2k6l
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 1.3480 . . . . A 2 . N A 2 . HN parsed_2k6l 1
2 . . . . . . . . . . . . . . . . 20.9270 . . . . A 4 . N A 4 . HN parsed_2k6l 1
3 . . . . . . . . . . . . . . . . 2.5540 . . . . A 5 . N A 5 . HN parsed_2k6l 1
4 . . . . . . . . . . . . . . . . -12.7690 . . . . A 6 . N A 6 . HN parsed_2k6l 1
5 . . . . . . . . . . . . . . . . 4.3270 . . . . A 7 . N A 7 . HN parsed_2k6l 1
6 . . . . . . . . . . . . . . . . -14.7560 . . . . A 8 . N A 8 . HN parsed_2k6l 1
7 . . . . . . . . . . . . . . . . -10.7120 . . . . A 9 . N A 9 . HN parsed_2k6l 1
8 . . . . . . . . . . . . . . . . 5.9590 . . . . A 10 . N A 10 . HN parsed_2k6l 1
9 . . . . . . . . . . . . . . . . 3.1210 . . . . A 14 . N A 14 . HN parsed_2k6l 1
10 . . . . . . . . . . . . . . . . -4.8950 . . . . A 15 . N A 15 . HN parsed_2k6l 1
11 . . . . . . . . . . . . . . . . -11.6300 . . . . A 16 . N A 16 . HN parsed_2k6l 1
12 . . . . . . . . . . . . . . . . -11.9180 . . . . A 17 . N A 17 . HN parsed_2k6l 1
13 . . . . . . . . . . . . . . . . 0.2840 . . . . A 18 . N A 18 . HN parsed_2k6l 1
14 . . . . . . . . . . . . . . . . -6.6620 . . . . A 19 . N A 19 . HN parsed_2k6l 1
15 . . . . . . . . . . . . . . . . -12.0560 . . . . A 20 . N A 20 . HN parsed_2k6l 1
16 . . . . . . . . . . . . . . . . -5.6050 . . . . A 21 . N A 21 . HN parsed_2k6l 1
17 . . . . . . . . . . . . . . . . -10.4280 . . . . A 23 . N A 23 . HN parsed_2k6l 1
18 . . . . . . . . . . . . . . . . -11.9900 . . . . A 24 . N A 24 . HN parsed_2k6l 1
19 . . . . . . . . . . . . . . . . 4.7530 . . . . A 25 . N A 25 . HN parsed_2k6l 1
20 . . . . . . . . . . . . . . . . 10.6410 . . . . A 34 . N A 34 . HN parsed_2k6l 1
21 . . . . . . . . . . . . . . . . -1.6320 . . . . A 35 . N A 35 . HN parsed_2k6l 1
22 . . . . . . . . . . . . . . . . 11.5630 . . . . A 36 . N A 36 . HN parsed_2k6l 1
23 . . . . . . . . . . . . . . . . 18.6580 . . . . A 37 . N A 37 . HN parsed_2k6l 1
24 . . . . . . . . . . . . . . . . 4.8490 . . . . A 38 . N A 38 . HN parsed_2k6l 1
25 . . . . . . . . . . . . . . . . 0.0000 . . . . A 39 . N A 39 . HN parsed_2k6l 1
26 . . . . . . . . . . . . . . . . 16.2460 . . . . A 40 . N A 40 . HN parsed_2k6l 1
27 . . . . . . . . . . . . . . . . 13.1240 . . . . A 41 . N A 41 . HN parsed_2k6l 1
28 . . . . . . . . . . . . . . . . -0.4250 . . . . A 42 . N A 42 . HN parsed_2k6l 1
29 . . . . . . . . . . . . . . . . 4.3980 . . . . A 43 . N A 43 . HN parsed_2k6l 1
30 . . . . . . . . . . . . . . . . 6.6680 . . . . A 45 . N A 45 . HN parsed_2k6l 1
31 . . . . . . . . . . . . . . . . 5.1790 . . . . A 47 . N A 47 . HN parsed_2k6l 1
32 . . . . . . . . . . . . . . . . 12.2010 . . . . A 48 . N A 48 . HN parsed_2k6l 1
33 . . . . . . . . . . . . . . . . -7.4490 . . . . A 49 . N A 49 . HN parsed_2k6l 1
34 . . . . . . . . . . . . . . . . -4.4690 . . . . A 50 . N A 50 . HN parsed_2k6l 1
35 . . . . . . . . . . . . . . . . 1.3480 . . . . B 2 . N B 2 . HN parsed_2k6l 1
36 . . . . . . . . . . . . . . . . 20.9270 . . . . B 4 . N B 4 . HN parsed_2k6l 1
37 . . . . . . . . . . . . . . . . 2.5540 . . . . B 5 . N B 5 . HN parsed_2k6l 1
38 . . . . . . . . . . . . . . . . -12.7690 . . . . B 6 . N B 6 . HN parsed_2k6l 1
39 . . . . . . . . . . . . . . . . 4.3270 . . . . B 7 . N B 7 . HN parsed_2k6l 1
40 . . . . . . . . . . . . . . . . -14.7560 . . . . B 8 . N B 8 . HN parsed_2k6l 1
41 . . . . . . . . . . . . . . . . -10.7120 . . . . B 9 . N B 9 . HN parsed_2k6l 1
42 . . . . . . . . . . . . . . . . 5.9590 . . . . B 10 . N B 10 . HN parsed_2k6l 1
43 . . . . . . . . . . . . . . . . 3.1210 . . . . B 14 . N B 14 . HN parsed_2k6l 1
44 . . . . . . . . . . . . . . . . -4.8950 . . . . B 15 . N B 15 . HN parsed_2k6l 1
45 . . . . . . . . . . . . . . . . -11.6300 . . . . B 16 . N B 16 . HN parsed_2k6l 1
46 . . . . . . . . . . . . . . . . -11.9180 . . . . B 17 . N B 17 . HN parsed_2k6l 1
47 . . . . . . . . . . . . . . . . 0.2840 . . . . B 18 . N B 18 . HN parsed_2k6l 1
48 . . . . . . . . . . . . . . . . -6.6620 . . . . B 19 . N B 19 . HN parsed_2k6l 1
49 . . . . . . . . . . . . . . . . -12.0560 . . . . B 20 . N B 20 . HN parsed_2k6l 1
50 . . . . . . . . . . . . . . . . -5.6050 . . . . B 21 . N B 21 . HN parsed_2k6l 1
51 . . . . . . . . . . . . . . . . -10.4280 . . . . B 23 . N B 23 . HN parsed_2k6l 1
52 . . . . . . . . . . . . . . . . -11.9900 . . . . B 24 . N B 24 . HN parsed_2k6l 1
53 . . . . . . . . . . . . . . . . 4.7530 . . . . B 25 . N B 25 . HN parsed_2k6l 1
54 . . . . . . . . . . . . . . . . 10.6410 . . . . B 34 . N B 34 . HN parsed_2k6l 1
55 . . . . . . . . . . . . . . . . -1.6320 . . . . B 35 . N B 35 . HN parsed_2k6l 1
56 . . . . . . . . . . . . . . . . 11.5630 . . . . B 36 . N B 36 . HN parsed_2k6l 1
57 . . . . . . . . . . . . . . . . 18.6580 . . . . B 37 . N B 37 . HN parsed_2k6l 1
58 . . . . . . . . . . . . . . . . 4.8490 . . . . B 38 . N B 38 . HN parsed_2k6l 1
59 . . . . . . . . . . . . . . . . 0.0000 . . . . B 39 . N B 39 . HN parsed_2k6l 1
60 . . . . . . . . . . . . . . . . 16.2460 . . . . B 40 . N B 40 . HN parsed_2k6l 1
61 . . . . . . . . . . . . . . . . 13.1240 . . . . B 41 . N B 41 . HN parsed_2k6l 1
62 . . . . . . . . . . . . . . . . -0.4250 . . . . B 42 . N B 42 . HN parsed_2k6l 1
63 . . . . . . . . . . . . . . . . 4.3980 . . . . B 43 . N B 43 . HN parsed_2k6l 1
64 . . . . . . . . . . . . . . . . 6.6680 . . . . B 45 . N B 45 . HN parsed_2k6l 1
65 . . . . . . . . . . . . . . . . 5.1790 . . . . B 47 . N B 47 . HN parsed_2k6l 1
66 . . . . . . . . . . . . . . . . 12.2010 . . . . B 48 . N B 48 . HN parsed_2k6l 1
67 . . . . . . . . . . . . . . . . -7.4490 . . . . B 49 . N B 49 . HN parsed_2k6l 1
68 . . . . . . . . . . . . . . . . -4.4690 . . . . B 50 . N B 50 . HN parsed_2k6l 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 "MONOMER A" 1 1 1 11 parsed_2k6l 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 44 and name N and segid A )
( resid 44 and name HN and segid A ) 23.4100 1.0000
;
205 1 210 65 parsed_2k6l 1
3
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 6 and name NE1 and segid A )
( resid 6 and name HE1 and segid A ) -18.5150 1.0000
MONOMER B
;
247 1 258 11 parsed_2k6l 1
4
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 44 and name N and segid B )
( resid 44 and name HN and segid B ) 23.4100 1.0000
;
462 1 467 65 parsed_2k6l 1
5
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 6 and name NE1 and segid B )
( resid 6 and name HE1 and segid B ) -18.5150 1.0000
;
504 1 509 66 parsed_2k6l 1
stop_
save_
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