NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
43176 |
2a9x   |
cing | 2-parsed | STAR | dipolar coupling | 55 |
data_2a9x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2a9x
_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_2a9x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2a9x
_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 2a9x "Master copy" parsed_2a9x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2a9x
_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 2a9x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2a9x 1
1 2a9x.mr . . XPLOR/CNS 2 distance NOE simple 534 parsed_2a9x 1
1 2a9x.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 64 parsed_2a9x 1
1 2a9x.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 156 parsed_2a9x 1
1 2a9x.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_2a9x 1
1 2a9x.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 55 parsed_2a9x 1
1 2a9x.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2a9x 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2a9x
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . 9.28 . . . . 2 4 . C1' 2 4 . H1' parsed_2a9x 1
2 . . . . . . . . . . . . . . . . 7.97 . . . . 2 4 . C8 2 4 . H8 parsed_2a9x 1
3 . . . . . . . . . . . . . . . . -1.61 . . . . 2 5 . C1' 2 5 . H1' parsed_2a9x 1
4 . . . . . . . . . . . . . . . . 7.83 . . . . 2 5 . C8 2 5 . H8 parsed_2a9x 1
5 . . . . . . . . . . . . . . . . -0.33 . . . . 2 6 . C1' 2 6 . H1' parsed_2a9x 1
6 . . . . . . . . . . . . . . . . 6.40 . . . . 2 6 . C5 2 6 . H5 parsed_2a9x 1
7 . . . . . . . . . . . . . . . . 6.38 . . . . 2 6 . C6 2 6 . H6 parsed_2a9x 1
8 . . . . . . . . . . . . . . . . -1.61 . . . . 2 7 . C1' 2 7 . H1' parsed_2a9x 1
9 . . . . . . . . . . . . . . . . 10.10 . . . . 2 7 . C5 2 7 . H5 parsed_2a9x 1
10 . . . . . . . . . . . . . . . . 12.82 . . . . 2 7 . C6 2 7 . H6 parsed_2a9x 1
11 . . . . . . . . . . . . . . . . -18.57 . . . . 2 8 . C1' 2 8 . H1' parsed_2a9x 1
12 . . . . . . . . . . . . . . . . 27.78 . . . . 2 8 . C6 2 8 . H6 parsed_2a9x 1
13 . . . . . . . . . . . . . . . . -4.31 . . . . 2 9 . C1' 2 9 . H1' parsed_2a9x 1
14 . . . . . . . . . . . . . . . . 22.77 . . . . 2 9 . C8 2 9 . H8 parsed_2a9x 1
15 . . . . . . . . . . . . . . . . 5.74 . . . . 2 11 . C1' 2 11 . H1' parsed_2a9x 1
16 . . . . . . . . . . . . . . . . 16.63 . . . . 2 11 . C8 2 11 . H8 parsed_2a9x 1
17 . . . . . . . . . . . . . . . . 5.97 . . . . 2 13 . C1' 2 13 . H1' parsed_2a9x 1
18 . . . . . . . . . . . . . . . . 20.60 . . . . 2 13 . C2 2 13 . H2 parsed_2a9x 1
19 . . . . . . . . . . . . . . . . 18.55 . . . . 2 13 . C8 2 13 . H8 parsed_2a9x 1
20 . . . . . . . . . . . . . . . . -3.35 . . . . 2 14 . C1' 2 14 . H1' parsed_2a9x 1
21 . . . . . . . . . . . . . . . . 12.18 . . . . 2 14 . C8 2 14 . H8 parsed_2a9x 1
22 . . . . . . . . . . . . . . . . 6.40 . . . . 2 15 . C5 2 15 . H5 parsed_2a9x 1
23 . . . . . . . . . . . . . . . . 6.90 . . . . 2 15 . C6 2 15 . H6 parsed_2a9x 1
24 . . . . . . . . . . . . . . . . 12.05 . . . . 2 16 . C5 2 16 . H5 parsed_2a9x 1
25 . . . . . . . . . . . . . . . . 6.88 . . . . 2 16 . C6 2 16 . H6 parsed_2a9x 1
26 . . . . . . . . . . . . . . . . 0.63 . . . . 2 21 . C1' 2 21 . H1' parsed_2a9x 1
27 . . . . . . . . . . . . . . . . 15.85 . . . . 2 21 . C2 2 21 . H2 parsed_2a9x 1
28 . . . . . . . . . . . . . . . . 21.26 . . . . 2 21 . C8 2 21 . H8 parsed_2a9x 1
29 . . . . . . . . . . . . . . . . 20.27 . . . . 2 22 . C8 2 22 . H8 parsed_2a9x 1
30 . . . . . . . . . . . . . . . . -11.99 . . . . 2 23 . C1' 2 23 . H1' parsed_2a9x 1
31 . . . . . . . . . . . . . . . . 18.98 . . . . 2 23 . C5 2 23 . H5 parsed_2a9x 1
32 . . . . . . . . . . . . . . . . 6.32 . . . . 2 23 . C6 2 23 . H6 parsed_2a9x 1
33 . . . . . . . . . . . . . . . . 7.85 . . . . 2 24 . C1' 2 24 . H1' parsed_2a9x 1
34 . . . . . . . . . . . . . . . . 8.74 . . . . 2 24 . C5 2 24 . H5 parsed_2a9x 1
35 . . . . . . . . . . . . . . . . 16.34 . . . . 2 24 . C6 2 24 . H6 parsed_2a9x 1
36 . . . . . . . . . . . . . . . . -9.31 . . . . 2 25 . C1' 2 25 . H1' parsed_2a9x 1
37 . . . . . . . . . . . . . . . . 14.88 . . . . 2 25 . C5 2 25 . H5 parsed_2a9x 1
38 . . . . . . . . . . . . . . . . 19.46 . . . . 2 25 . C6 2 25 . H6 parsed_2a9x 1
39 . . . . . . . . . . . . . . . . -4.52 . . . . 2 26 . C1' 2 26 . H1' parsed_2a9x 1
40 . . . . . . . . . . . . . . . . 2.43 . . . . 2 26 . C5 2 26 . H5 parsed_2a9x 1
41 . . . . . . . . . . . . . . . . 27.07 . . . . 2 26 . C6 2 26 . H6 parsed_2a9x 1
42 . . . . . . . . . . . . . . . . -1.77 . . . . 2 27 . C1' 2 27 . H1' parsed_2a9x 1
43 . . . . . . . . . . . . . . . . 7.75 . . . . 2 27 . C8 2 27 . H8 parsed_2a9x 1
44 . . . . . . . . . . . . . . . . -10.01 . . . . 2 28 . C1' 2 28 . H1' parsed_2a9x 1
45 . . . . . . . . . . . . . . . . 21.87 . . . . 2 28 . C2 2 28 . H2 parsed_2a9x 1
46 . . . . . . . . . . . . . . . . 13.60 . . . . 2 28 . C8 2 28 . H8 parsed_2a9x 1
47 . . . . . . . . . . . . . . . . -0.99 . . . . 2 29 . C1' 2 29 . H1' parsed_2a9x 1
48 . . . . . . . . . . . . . . . . 7.92 . . . . 2 29 . C8 2 29 . H8 parsed_2a9x 1
49 . . . . . . . . . . . . . . . . -10.93 . . . . 2 30 . C1' 2 30 . H1' parsed_2a9x 1
50 . . . . . . . . . . . . . . . . 18.98 . . . . 2 30 . C5 2 30 . H5 parsed_2a9x 1
51 . . . . . . . . . . . . . . . . 9.45 . . . . 2 30 . C6 2 30 . H6 parsed_2a9x 1
52 . . . . . . . . . . . . . . . . 16.57 . . . . 2 31 . C2' 2 31 . H2'' parsed_2a9x 1
53 . . . . . . . . . . . . . . . . -0.30 . . . . 2 31 . C3' 2 31 . H3' parsed_2a9x 1
54 . . . . . . . . . . . . . . . . 19.52 . . . . 2 31 . C5 2 31 . H5 parsed_2a9x 1
55 . . . . . . . . . . . . . . . . 6.74 . . . . 2 31 . C6 2 31 . H6 parsed_2a9x 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
;
biv2cmplx.A.dip
RDCs measured in aprox 15mg/ml phage
V. Good 1.2, Good 1.6, Fair 2.0, Some OL 2.4
;
2 1 5 4 parsed_2a9x 1
2
;
assign ( resid 500 and name OO and segid 3)
( resid 500 and name Z and segid 3)
( resid 500 and name X and segid 3)
( resid 500 and name Y and segid 3)
( resid 8 and name C5 and segid 2)
( resid 8 and name H5 and segid 2) 19.49 1.6
;
83 1 88 61 parsed_2a9x 1
3
;
assign ( resid 500 and name OO and segid 3)
( resid 500 and name Z and segid 3)
( resid 500 and name X and segid 3)
( resid 500 and name Y and segid 3)
( resid 10 and name C1' and segid 2)
( resid 10 and name H1' and segid 2) -13.21 1.6
assign ( resid 500 and name OO and segid 3)
( resid 500 and name Z and segid 3)
( resid 500 and name X and segid 3)
( resid 500 and name Y and segid 3)
( resid 10 and name C5 and segid 2)
( resid 10 and name H5 and segid 2) 26.89 1.6
assign ( resid 500 and name OO and segid 3)
( resid 500 and name Z and segid 3)
( resid 500 and name X and segid 3)
( resid 500 and name Y and segid 3)
( resid 10 and name C6 and segid 2)
( resid 10 and name H6 and segid 2) 3.40 1.6
;
111 1 130 61 parsed_2a9x 1
4 "ommitted three RDC for 12 from biv2cmplx.A.dip" 146 1 146 48 parsed_2a9x 1
5 "ommitted 11 RDCs for 17-20 from biv2cmplx.A.dip" 211 1 211 49 parsed_2a9x 1
stop_
save_
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