NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
51213 |
2k5z   |
cing | 2-parsed | STAR | dipolar coupling | 89 |
data_2k5z_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k5z
_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_2k5z 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k5z
_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 2k5z "Master copy" parsed_2k5z
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k5z
_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 2k5z.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 6 parsed_2k5z 1
1 2k5z.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 6 parsed_2k5z 1
1 2k5z.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 6 parsed_2k5z 1
1 2k5z.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_2k5z 1
1 2k5z.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . XPLOR/CNS 11 distance "general distance" simple 59 parsed_2k5z 1
1 2k5z.mr . . XPLOR/CNS 12 distance NOE simple 93 parsed_2k5z 1
1 2k5z.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . XPLOR/CNS 14 "dihedral angle" "Not applicable" "Not applicable" 28 parsed_2k5z 1
1 2k5z.mr . . n/a 15 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . XPLOR/CNS 16 planarity "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . n/a 17 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . XPLOR/CNS 18 "dihedral angle" "Not applicable" "Not applicable" 5 parsed_2k5z 1
1 2k5z.mr . . n/a 19 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . XPLOR/CNS 20 "dihedral angle" "Not applicable" "Not applicable" 10 parsed_2k5z 1
1 2k5z.mr . . n/a 21 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . XPLOR/CNS 22 "dihedral angle" "Not applicable" "Not applicable" 5 parsed_2k5z 1
1 2k5z.mr . . n/a 23 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . XPLOR/CNS 24 "dihedral angle" "Not applicable" "Not applicable" 5 parsed_2k5z 1
1 2k5z.mr . . n/a 25 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . XPLOR/CNS 26 "dipolar coupling" "Not applicable" "Not applicable" 89 parsed_2k5z 1
1 2k5z.mr . . n/a 27 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . XPLOR/CNS 28 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . XPLOR/CNS 29 distance NOE simple 0 parsed_2k5z 1
1 2k5z.mr . . n/a 30 comment "Not applicable" "Not applicable" 0 parsed_2k5z 1
1 2k5z.mr . . "MR format" 31 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k5z 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_26
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2k5z
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 26
_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 . . . . . . . . . . . . . . . . 18.28 . . . . APIC 6 . C2 APIC 6 . H2 parsed_2k5z 1
2 . . . . . . . . . . . . . . . . 22.44 . . . . APIC 8 . C2 APIC 8 . H2 parsed_2k5z 1
3 . . . . . . . . . . . . . . . . 14.01 . . . . APIC 27 . C2 APIC 27 . H2 parsed_2k5z 1
4 . . . . . . . . . . . . . . . . 21.94 . . . . APIC 1 . C8 APIC 1 . H8 parsed_2k5z 1
5 . . . . . . . . . . . . . . . . 10.91 . . . . APIC 2 . C8 APIC 2 . H8 parsed_2k5z 1
6 . . . . . . . . . . . . . . . . 17.37 . . . . APIC 6 . C8 APIC 6 . H8 parsed_2k5z 1
7 . . . . . . . . . . . . . . . . 24.23 . . . . APIC 8 . C8 APIC 8 . H8 parsed_2k5z 1
8 . . . . . . . . . . . . . . . . 20.1 . . . . APIC 11 . C8 APIC 11 . H8 parsed_2k5z 1
9 . . . . . . . . . . . . . . . . 6.48 . . . . APIC 14 . C8 APIC 14 . H8 parsed_2k5z 1
10 . . . . . . . . . . . . . . . . 14.39 . . . . APIC 17 . C8 APIC 17 . H8 parsed_2k5z 1
11 . . . . . . . . . . . . . . . . 22.79 . . . . APIC 20 . C8 APIC 20 . H8 parsed_2k5z 1
12 . . . . . . . . . . . . . . . . 22.49 . . . . APIC 22 . C8 APIC 22 . H8 parsed_2k5z 1
13 . . . . . . . . . . . . . . . . 17.31 . . . . APIC 24 . C8 APIC 24 . H8 parsed_2k5z 1
14 . . . . . . . . . . . . . . . . 12.3 . . . . APIC 26 . C8 APIC 26 . H8 parsed_2k5z 1
15 . . . . . . . . . . . . . . . . 8.28 . . . . APIC 27 . C8 APIC 27 . H8 parsed_2k5z 1
16 . . . . . . . . . . . . . . . . 21.12 . . . . APIC 3 . C5 APIC 3 . H5 parsed_2k5z 1
17 . . . . . . . . . . . . . . . . 16.58 . . . . APIC 4 . C5 APIC 4 . H5 parsed_2k5z 1
18 . . . . . . . . . . . . . . . . 10.14 . . . . APIC 5 . C5 APIC 5 . H5 parsed_2k5z 1
19 . . . . . . . . . . . . . . . . 25.04 . . . . APIC 7 . C5 APIC 7 . H5 parsed_2k5z 1
20 . . . . . . . . . . . . . . . . 27.39 . . . . APIC 9 . C5 APIC 9 . H5 parsed_2k5z 1
21 . . . . . . . . . . . . . . . . 15.04 . . . . APIC 10 . C5 APIC 10 . H5 parsed_2k5z 1
22 . . . . . . . . . . . . . . . . 26.07 . . . . APIC 12 . C5 APIC 12 . H5 parsed_2k5z 1
23 . . . . . . . . . . . . . . . . 14.59 . . . . APIC 13 . C5 APIC 13 . H5 parsed_2k5z 1
24 . . . . . . . . . . . . . . . . 17.24 . . . . APIC 18 . C5 APIC 18 . H5 parsed_2k5z 1
25 . . . . . . . . . . . . . . . . 15.31 . . . . APIC 19 . C5 APIC 19 . H5 parsed_2k5z 1
26 . . . . . . . . . . . . . . . . 23.47 . . . . APIC 21 . C5 APIC 21 . H5 parsed_2k5z 1
27 . . . . . . . . . . . . . . . . 24.74 . . . . APIC 23 . C5 APIC 23 . H5 parsed_2k5z 1
28 . . . . . . . . . . . . . . . . 11.97 . . . . APIC 28 . C5 APIC 28 . H5 parsed_2k5z 1
29 . . . . . . . . . . . . . . . . 13.03 . . . . APIC 29 . C5 APIC 29 . H5 parsed_2k5z 1
30 . . . . . . . . . . . . . . . . 6.00 . . . . APIC 4 . H6 APIC 4 . C6 parsed_2k5z 1
31 . . . . . . . . . . . . . . . . 12.20 . . . . APIC 5 . H6 APIC 5 . C6 parsed_2k5z 1
32 . . . . . . . . . . . . . . . . 22.33 . . . . APIC 9 . H6 APIC 9 . C6 parsed_2k5z 1
33 . . . . . . . . . . . . . . . . 9.62 . . . . APIC 12 . H6 APIC 12 . C6 parsed_2k5z 1
34 . . . . . . . . . . . . . . . . 0.93 . . . . APIC 13 . H6 APIC 13 . C6 parsed_2k5z 1
35 . . . . . . . . . . . . . . . . 23.17 . . . . APIC 21 . H6 APIC 21 . C6 parsed_2k5z 1
36 . . . . . . . . . . . . . . . . 15.7 . . . . APIC 28 . H6 APIC 28 . C6 parsed_2k5z 1
37 . . . . . . . . . . . . . . . . 14.64 . . . . APIC 29 . H6 APIC 29 . C6 parsed_2k5z 1
38 . . . . . . . . . . . . . . . . -12.82 . . . . APIC 2 . H1' APIC 2 . C1' parsed_2k5z 1
39 . . . . . . . . . . . . . . . . -28.03 . . . . APIC 4 . H1' APIC 4 . C1' parsed_2k5z 1
40 . . . . . . . . . . . . . . . . -32.09 . . . . APIC 5 . H1' APIC 5 . C1' parsed_2k5z 1
41 . . . . . . . . . . . . . . . . -20.76 . . . . APIC 7 . H1' APIC 7 . C1' parsed_2k5z 1
42 . . . . . . . . . . . . . . . . -11.21 . . . . APIC 12 . H1' APIC 12 . C1' parsed_2k5z 1
43 . . . . . . . . . . . . . . . . -22.74 . . . . APIC 13 . H1' APIC 13 . C1' parsed_2k5z 1
44 . . . . . . . . . . . . . . . . 8.12 . . . . APIC 14 . H1' APIC 14 . C1' parsed_2k5z 1
45 . . . . . . . . . . . . . . . . -26.93 . . . . APIC 19 . H1' APIC 19 . C1' parsed_2k5z 1
46 . . . . . . . . . . . . . . . . -3.6 . . . . APIC 22 . H1' APIC 22 . C1' parsed_2k5z 1
47 . . . . . . . . . . . . . . . . -1.99 . . . . APIC 23 . H1' APIC 23 . C1' parsed_2k5z 1
48 . . . . . . . . . . . . . . . . -28.83 . . . . APIC 27 . H1' APIC 27 . C1' parsed_2k5z 1
49 . . . . . . . . . . . . . . . . -33.03 . . . . APIC 28 . H1' APIC 28 . C1' parsed_2k5z 1
50 . . . . . . . . . . . . . . . . -17.90 . . . . APIC 29 . H1' APIC 29 . C1' parsed_2k5z 1
51 . . . . . . . . . . . . . . . . 18.64 . . . . APIC 2 . H2' APIC 2 . C2' parsed_2k5z 1
52 . . . . . . . . . . . . . . . . 18.70 . . . . APIC 4 . H2' APIC 4 . C2' parsed_2k5z 1
53 . . . . . . . . . . . . . . . . 14.29 . . . . APIC 5 . H2' APIC 5 . C2' parsed_2k5z 1
54 . . . . . . . . . . . . . . . . -4.53 . . . . APIC 7 . H2' APIC 7 . C2' parsed_2k5z 1
55 . . . . . . . . . . . . . . . . 15.30 . . . . APIC 8 . H2' APIC 8 . C2' parsed_2k5z 1
56 . . . . . . . . . . . . . . . . 16.59 . . . . APIC 12 . H2' APIC 12 . C2' parsed_2k5z 1
57 . . . . . . . . . . . . . . . . 8.78 . . . . APIC 14 . H2' APIC 14 . C2' parsed_2k5z 1
58 . . . . . . . . . . . . . . . . 7.47 . . . . APIC 19 . H2' APIC 19 . C2' parsed_2k5z 1
59 . . . . . . . . . . . . . . . . 0.65 . . . . APIC 21 . H2' APIC 21 . C2' parsed_2k5z 1
60 . . . . . . . . . . . . . . . . 9.43 . . . . APIC 22 . H2' APIC 22 . C2' parsed_2k5z 1
61 . . . . . . . . . . . . . . . . -5.88 . . . . APIC 23 . H2' APIC 23 . C2' parsed_2k5z 1
62 . . . . . . . . . . . . . . . . 21.20 . . . . APIC 27 . H2' APIC 27 . C2' parsed_2k5z 1
63 . . . . . . . . . . . . . . . . 11.76 . . . . APIC 28 . H2' APIC 28 . C2' parsed_2k5z 1
64 . . . . . . . . . . . . . . . . 4.79 . . . . APIC 29 . H2' APIC 29 . C2' parsed_2k5z 1
65 . . . . . . . . . . . . . . . . 16.72 . . . . APIC 2 . H3' APIC 2 . C3' parsed_2k5z 1
66 . . . . . . . . . . . . . . . . 11.77 . . . . APIC 4 . H3' APIC 4 . C3' parsed_2k5z 1
67 . . . . . . . . . . . . . . . . 5.95 . . . . APIC 7 . H3' APIC 7 . C3' parsed_2k5z 1
68 . . . . . . . . . . . . . . . . 7.91 . . . . APIC 13 . H3' APIC 13 . C3' parsed_2k5z 1
69 . . . . . . . . . . . . . . . . -16.95 . . . . APIC 14 . H3' APIC 14 . C3' parsed_2k5z 1
70 . . . . . . . . . . . . . . . . 1.35 . . . . APIC 18 . H3' APIC 18 . C3' parsed_2k5z 1
71 . . . . . . . . . . . . . . . . 13.46 . . . . APIC 19 . H3' APIC 19 . C3' parsed_2k5z 1
72 . . . . . . . . . . . . . . . . 8.24 . . . . APIC 21 . H3' APIC 21 . C3' parsed_2k5z 1
73 . . . . . . . . . . . . . . . . 10.36 . . . . APIC 22 . H3' APIC 22 . C3' parsed_2k5z 1
74 . . . . . . . . . . . . . . . . 18.01 . . . . APIC 23 . H3' APIC 23 . C3' parsed_2k5z 1
75 . . . . . . . . . . . . . . . . 13.53 . . . . APIC 27 . H3' APIC 27 . C3' parsed_2k5z 1
76 . . . . . . . . . . . . . . . . 5.77 . . . . APIC 28 . H3' APIC 28 . C3' parsed_2k5z 1
77 . . . . . . . . . . . . . . . . 2.36 . . . . APIC 29 . H3' APIC 29 . C3' parsed_2k5z 1
78 . . . . . . . . . . . . . . . . 23.08 . . . . APIC 2 . H4' APIC 2 . C4' parsed_2k5z 1
79 . . . . . . . . . . . . . . . . 19.75 . . . . APIC 4 . H4' APIC 4 . C4' parsed_2k5z 1
80 . . . . . . . . . . . . . . . . 12.96 . . . . APIC 5 . H4' APIC 5 . C4' parsed_2k5z 1
81 . . . . . . . . . . . . . . . . 20.80 . . . . APIC 8 . H4' APIC 8 . C4' parsed_2k5z 1
82 . . . . . . . . . . . . . . . . 19.14 . . . . APIC 13 . H4' APIC 13 . C4' parsed_2k5z 1
83 . . . . . . . . . . . . . . . . -1.82 . . . . APIC 14 . H4' APIC 14 . C4' parsed_2k5z 1
84 . . . . . . . . . . . . . . . . 26.06 . . . . APIC 19 . H4' APIC 19 . C4' parsed_2k5z 1
85 . . . . . . . . . . . . . . . . 14.38 . . . . APIC 18 . H4' APIC 18 . C4' parsed_2k5z 1
86 . . . . . . . . . . . . . . . . 17.41 . . . . APIC 21 . H4' APIC 21 . C4' parsed_2k5z 1
87 . . . . . . . . . . . . . . . . 24.28 . . . . APIC 23 . H4' APIC 23 . C4' parsed_2k5z 1
88 . . . . . . . . . . . . . . . . 10.48 . . . . APIC 28 . H4' APIC 28 . C4' parsed_2k5z 1
89 . . . . . . . . . . . . . . . . 10.82 . . . . APIC 29 . H4' APIC 29 . C4' parsed_2k5z 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 C2H2 1 1 1 6 parsed_2k5z 1
2 C8H8 17 1 17 6 parsed_2k5z 1
3 C5H5 78 1 78 6 parsed_2k5z 1
4
;
assign (segid SANI and resid 500 and name 00)
(segid SANI and resid 500 and name Z)
(segid SANI and resid 500 and name X)
(segid SANI and resid 500 and name Y)
(segid APIC and resid 15 and name C5 ) (segid APIC and resid 15 and name H5 ) 8.01 2.0
assign (segid SANI and resid 500 and name 00)
(segid SANI and resid 500 and name Z)
(segid SANI and resid 500 and name X)
(segid SANI and resid 500 and name Y)
(segid APIC and resid 16 and name C5 ) (segid APIC and resid 16 and name H5 ) -1.75 2.0
;
119 1 128 103 parsed_2k5z 1
5 C6H6 159 1 159 6 parsed_2k5z 1
6
;
assign (segid SANI and resid 500 and name 00)
(segid SANI and resid 500 and name Z)
(segid SANI and resid 500 and name X)
(segid SANI and resid 500 and name Y)
(segid APIC and resid 15 and name H6 ) (segid APIC and resid 15 and name C6 ) 14.14 5.0
assign (segid SANI and resid 500 and name 00)
(segid SANI and resid 500 and name Z)
(segid SANI and resid 500 and name X)
(segid SANI and resid 500 and name Y)
(segid APIC and resid 16 and name H6 ) (segid APIC and resid 16 and name C6 ) 6.83 5.0
;
185 1 194 102 parsed_2k5z 1
7 C1'H1' 210 1 210 8 parsed_2k5z 1
8
;
assign (segid SANI and resid 500 and name 00)
(segid SANI and resid 500 and name Z)
(segid SANI and resid 500 and name X)
(segid SANI and resid 500 and name Y)
(segid APIC and resid 15 and name H1' ) (segid APIC and resid 15 and name C1' ) 4.89 5.0
assign (segid SANI and resid 500 and name 00)
(segid SANI and resid 500 and name Z)
(segid SANI and resid 500 and name X)
(segid SANI and resid 500 and name Y)
(segid APIC and resid 16 and name H1' ) (segid APIC and resid 16 and name C1' ) -6.59 5.0
;
246 1 255 105 parsed_2k5z 1
9 C2'H2' 286 1 286 8 parsed_2k5z 1
10
;
assign (segid SANI and resid 500 and name 00)
(segid SANI and resid 500 and name Z)
(segid SANI and resid 500 and name X)
(segid SANI and resid 500 and name Y)
(segid APIC and resid 16 and name H2' ) (segid APIC and resid 16 and name C2' ) -6.17 5.0
;
322 1 326 105 parsed_2k5z 1
11 C3'H3' 362 1 362 8 parsed_2k5z 1
12
;
assign (segid SANI and resid 500 and name 00)
(segid SANI and resid 500 and name Z)
(segid SANI and resid 500 and name X)
(segid SANI and resid 500 and name Y)
(segid APIC and resid 15 and name H3' ) (segid APIC and resid 15 and name C3' ) 6.13 5.0
assign (segid SANI and resid 500 and name 00)
(segid SANI and resid 500 and name Z)
(segid SANI and resid 500 and name X)
(segid SANI and resid 500 and name Y)
(segid APIC and resid 16 and name H3' ) (segid APIC and resid 16 and name C3' ) 5.47 5.0
;
388 1 397 104 parsed_2k5z 1
13 C4'H4' 438 1 438 8 parsed_2k5z 1
14
;
assign (segid SANI and resid 500 and name 00)
(segid SANI and resid 500 and name Z)
(segid SANI and resid 500 and name X)
(segid SANI and resid 500 and name Y)
(segid APIC and resid 15 and name H4' ) (segid APIC and resid 15 and name C4' ) 0.60 5.0
assign (segid SANI and resid 500 and name 00)
(segid SANI and resid 500 and name Z)
(segid SANI and resid 500 and name X)
(segid SANI and resid 500 and name Y)
(segid APIC and resid 16 and name H4' ) (segid APIC and resid 16 and name C4' ) 9.67 5.0
;
469 1 478 103 parsed_2k5z 1
stop_
save_
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