NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
53738 |
2rp1   |
cing | 2-parsed | STAR | dipolar coupling | 118 |
data_2rp1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rp1
_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_2rp1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rp1
_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 2rp1 "Master copy" parsed_2rp1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rp1
_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 2rp1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rp1 1
1 2rp1.mr . . XPLOR/CNS 2 distance NOE simple 66 parsed_2rp1 1
1 2rp1.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 24 parsed_2rp1 1
1 2rp1.mr . . XPLOR/CNS 4 distance NOE simple 614 parsed_2rp1 1
1 2rp1.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 118 parsed_2rp1 1
1 2rp1.mr . . XPLOR/CNS 6 planarity "Not applicable" "Not applicable" 0 parsed_2rp1 1
1 2rp1.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2rp1 1
1 2rp1.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rp1 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2rp1
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . 17.27 . . . . . 9 . C5 . 9 . H5 parsed_2rp1 1
2 . . . . . . . . . . . . . . . . 31.18 . . . . . 9 . C6 . 9 . H6 parsed_2rp1 1
3 . . . . . . . . . . . . . . . . -5.10 . . . . . 10 . C5 . 10 . H5 parsed_2rp1 1
4 . . . . . . . . . . . . . . . . 10.17 . . . . . 10 . C6 . 10 . H6 parsed_2rp1 1
5 . . . . . . . . . . . . . . . . 18.28 . . . . . 22 . C2 . 22 . H2 parsed_2rp1 1
6 . . . . . . . . . . . . . . . . -2.10 . . . . . 22 . C8 . 22 . H8 parsed_2rp1 1
7 . . . . . . . . . . . . . . . . 21.14 . . . . . 21 . C2 . 21 . H2 parsed_2rp1 1
8 . . . . . . . . . . . . . . . . 1.98 . . . . . 21 . C8 . 21 . H8 parsed_2rp1 1
9 . . . . . . . . . . . . . . . . 2.83 . . . . . 23 . C2 . 23 . H2 parsed_2rp1 1
10 . . . . . . . . . . . . . . . . 0.95 . . . . . 23 . C8 . 23 . H8 parsed_2rp1 1
11 . . . . . . . . . . . . . . . . 10.41 . . . . . 24 . C5 . 24 . H5 parsed_2rp1 1
12 . . . . . . . . . . . . . . . . 20.29 . . . . . 24 . C6 . 24 . H6 parsed_2rp1 1
13 . . . . . . . . . . . . . . . . 34.68 . . . . . 25 . C2 . 25 . H2 parsed_2rp1 1
14 . . . . . . . . . . . . . . . . 45.20 . . . . . 25 . C8 . 25 . H8 parsed_2rp1 1
15 . . . . . . . . . . . . . . . . 14.44 . . . . . 26 . C2 . 26 . H2 parsed_2rp1 1
16 . . . . . . . . . . . . . . . . 2.44 . . . . . 26 . C8 . 26 . H8 parsed_2rp1 1
17 . . . . . . . . . . . . . . . . 4.99 . . . . . 27 . C2 . 27 . H2 parsed_2rp1 1
18 . . . . . . . . . . . . . . . . -6.75 . . . . . 27 . C8 . 27 . H8 parsed_2rp1 1
19 . . . . . . . . . . . . . . . . 23.89 . . . . . 9 . C1' . 9 . H1' parsed_2rp1 1
20 . . . . . . . . . . . . . . . . -10.04 . . . . . 9 . C2' . 9 . H2' parsed_2rp1 1
21 . . . . . . . . . . . . . . . . 3.97 . . . . . 9 . C3' . 9 . H3' parsed_2rp1 1
22 . . . . . . . . . . . . . . . . 3.10 . . . . . 10 . C1' . 10 . H1' parsed_2rp1 1
23 . . . . . . . . . . . . . . . . 8.68 . . . . . 10 . C2' . 10 . H2' parsed_2rp1 1
24 . . . . . . . . . . . . . . . . 5.89 . . . . . 10 . C3' . 10 . H3' parsed_2rp1 1
25 . . . . . . . . . . . . . . . . 5.15 . . . . . 10 . C4' . 10 . H4' parsed_2rp1 1
26 . . . . . . . . . . . . . . . . 32.35 . . . . . 14 . C1' . 14 . H1' parsed_2rp1 1
27 . . . . . . . . . . . . . . . . 30.16 . . . . . 14 . C2' . 14 . H2' parsed_2rp1 1
28 . . . . . . . . . . . . . . . . 4.71 . . . . . 14 . C3' . 14 . H3' parsed_2rp1 1
29 . . . . . . . . . . . . . . . . -6.10 . . . . . 14 . C4' . 14 . H4' parsed_2rp1 1
30 . . . . . . . . . . . . . . . . 1.25 . . . . . 22 . C4' . 22 . H4' parsed_2rp1 1
31 . . . . . . . . . . . . . . . . 15.24 . . . . . 20 . C2' . 20 . H2' parsed_2rp1 1
32 . . . . . . . . . . . . . . . . 13.33 . . . . . 21 . C1' . 21 . H1' parsed_2rp1 1
33 . . . . . . . . . . . . . . . . -4.57 . . . . . 21 . C2' . 21 . H2' parsed_2rp1 1
34 . . . . . . . . . . . . . . . . 40.36 . . . . . 21 . C3' . 21 . H3' parsed_2rp1 1
35 . . . . . . . . . . . . . . . . -10.55 . . . . . 23 . C1' . 23 . H1' parsed_2rp1 1
36 . . . . . . . . . . . . . . . . -9.11 . . . . . 23 . C3' . 23 . H3' parsed_2rp1 1
37 . . . . . . . . . . . . . . . . 5.58 . . . . . 23 . C4' . 23 . H4' parsed_2rp1 1
38 . . . . . . . . . . . . . . . . 14.51 . . . . . 24 . C1' . 24 . H1' parsed_2rp1 1
39 . . . . . . . . . . . . . . . . -11.96 . . . . . 24 . C2' . 24 . H2' parsed_2rp1 1
40 . . . . . . . . . . . . . . . . 2.07 . . . . . 24 . C3' . 24 . H3' parsed_2rp1 1
41 . . . . . . . . . . . . . . . . 5.91 . . . . . 25 . C1' . 25 . H1' parsed_2rp1 1
42 . . . . . . . . . . . . . . . . 17.93 . . . . . 25 . C3' . 25 . H3' parsed_2rp1 1
43 . . . . . . . . . . . . . . . . 9.85 . . . . . 25 . C4' . 25 . H4' parsed_2rp1 1
44 . . . . . . . . . . . . . . . . 3.19 . . . . . 26 . C1' . 26 . H1' parsed_2rp1 1
45 . . . . . . . . . . . . . . . . 5.13 . . . . . 26 . C2' . 26 . H2' parsed_2rp1 1
46 . . . . . . . . . . . . . . . . 37.49 . . . . . 26 . C3' . 26 . H3' parsed_2rp1 1
47 . . . . . . . . . . . . . . . . 1.98 . . . . . 27 . C2' . 27 . H2' parsed_2rp1 1
48 . . . . . . . . . . . . . . . . 28.46 . . . . . 27 . C4' . 27 . H4' parsed_2rp1 1
49 . . . . . . . . . . . . . . . . 0.57 . . . . . 3 . C5 . 3 . H5 parsed_2rp1 1
50 . . . . . . . . . . . . . . . . -4.67 . . . . . 3 . C6 . 3 . H6 parsed_2rp1 1
51 . . . . . . . . . . . . . . . . 1.55 . . . . . 4 . C5 . 4 . H5 parsed_2rp1 1
52 . . . . . . . . . . . . . . . . -1.49 . . . . . 4 . C6 . 4 . H6 parsed_2rp1 1
53 . . . . . . . . . . . . . . . . -7.36 . . . . . 5 . C5 . 5 . H5 parsed_2rp1 1
54 . . . . . . . . . . . . . . . . 5.80 . . . . . 5 . C6 . 5 . H6 parsed_2rp1 1
55 . . . . . . . . . . . . . . . . 1.09 . . . . . 6 . C5 . 6 . H5 parsed_2rp1 1
56 . . . . . . . . . . . . . . . . 21.46 . . . . . 6 . C6 . 6 . H6 parsed_2rp1 1
57 . . . . . . . . . . . . . . . . 28.66 . . . . . 7 . C8 . 7 . H8 parsed_2rp1 1
58 . . . . . . . . . . . . . . . . 20.11 . . . . . 8 . C8 . 8 . H8 parsed_2rp1 1
59 . . . . . . . . . . . . . . . . -14.94 . . . . . 15 . C5 . 15 . H5 parsed_2rp1 1
60 . . . . . . . . . . . . . . . . 15.41 . . . . . 15 . C6 . 15 . H6 parsed_2rp1 1
61 . . . . . . . . . . . . . . . . 9.14 . . . . . 16 . C5 . 16 . H5 parsed_2rp1 1
62 . . . . . . . . . . . . . . . . 23.88 . . . . . 16 . C6 . 16 . H6 parsed_2rp1 1
63 . . . . . . . . . . . . . . . . 26.37 . . . . . 17 . C8 . 17 . H8 parsed_2rp1 1
64 . . . . . . . . . . . . . . . . 12.57 . . . . . 18 . C8 . 18 . H8 parsed_2rp1 1
65 . . . . . . . . . . . . . . . . -1.49 . . . . . 3 . C1' . 3 . H1' parsed_2rp1 1
66 . . . . . . . . . . . . . . . . -3.40 . . . . . 3 . C2' . 3 . H2' parsed_2rp1 1
67 . . . . . . . . . . . . . . . . 0.22 . . . . . 3 . C3' . 3 . H3' parsed_2rp1 1
68 . . . . . . . . . . . . . . . . -16.33 . . . . . 3 . C4' . 3 . H4' parsed_2rp1 1
69 . . . . . . . . . . . . . . . . -24.68 . . . . . 4 . C1' . 4 . H1' parsed_2rp1 1
70 . . . . . . . . . . . . . . . . 0.49 . . . . . 4 . C4' . 4 . H4' parsed_2rp1 1
71 . . . . . . . . . . . . . . . . -26.58 . . . . . 5 . C1' . 5 . H1' parsed_2rp1 1
72 . . . . . . . . . . . . . . . . -13.38 . . . . . 5 . C2' . 5 . H2' parsed_2rp1 1
73 . . . . . . . . . . . . . . . . -6.29 . . . . . 5 . C4' . 5 . H4' parsed_2rp1 1
74 . . . . . . . . . . . . . . . . -6.28 . . . . . 6 . C1' . 6 . H1' parsed_2rp1 1
75 . . . . . . . . . . . . . . . . -25.88 . . . . . 6 . C2' . 6 . H2' parsed_2rp1 1
76 . . . . . . . . . . . . . . . . -9.11 . . . . . 6 . C3' . 6 . H3' parsed_2rp1 1
77 . . . . . . . . . . . . . . . . -1.71 . . . . . 6 . C4' . 6 . H4' parsed_2rp1 1
78 . . . . . . . . . . . . . . . . -10.29 . . . . . 7 . C2' . 7 . H2' parsed_2rp1 1
79 . . . . . . . . . . . . . . . . 31.01 . . . . . 8 . C1' . 8 . H1' parsed_2rp1 1
80 . . . . . . . . . . . . . . . . -15.58 . . . . . 8 . C2' . 8 . H2' parsed_2rp1 1
81 . . . . . . . . . . . . . . . . 12.41 . . . . . 8 . C3' . 8 . H3' parsed_2rp1 1
82 . . . . . . . . . . . . . . . . 6.69 . . . . . 8 . C4' . 8 . H4' parsed_2rp1 1
83 . . . . . . . . . . . . . . . . -30.88 . . . . . 15 . C1' . 15 . H1' parsed_2rp1 1
84 . . . . . . . . . . . . . . . . -4.66 . . . . . 15 . C2' . 15 . H2' parsed_2rp1 1
85 . . . . . . . . . . . . . . . . -23.27 . . . . . 15 . C3' . 15 . H3' parsed_2rp1 1
86 . . . . . . . . . . . . . . . . -3.51 . . . . . 15 . C4' . 15 . H4' parsed_2rp1 1
87 . . . . . . . . . . . . . . . . 3.44 . . . . . 16 . C1' . 16 . H1' parsed_2rp1 1
88 . . . . . . . . . . . . . . . . -22.23 . . . . . 16 . C2' . 16 . H2' parsed_2rp1 1
89 . . . . . . . . . . . . . . . . -10.52 . . . . . 16 . C3' . 16 . H3' parsed_2rp1 1
90 . . . . . . . . . . . . . . . . -2.15 . . . . . 16 . C4' . 16 . H4' parsed_2rp1 1
91 . . . . . . . . . . . . . . . . 3.38 . . . . . 17 . C3' . 17 . H3' parsed_2rp1 1
92 . . . . . . . . . . . . . . . . 2.63 . . . . . 17 . C4' . 17 . H4' parsed_2rp1 1
93 . . . . . . . . . . . . . . . . 23.52 . . . . . 11 . C8 . 11 . H8 parsed_2rp1 1
94 . . . . . . . . . . . . . . . . 14.61 . . . . . 12 . C2 . 12 . H2 parsed_2rp1 1
95 . . . . . . . . . . . . . . . . 18.47 . . . . . 13 . C5 . 13 . H5 parsed_2rp1 1
96 . . . . . . . . . . . . . . . . 14.15 . . . . . 13 . C6 . 13 . H6 parsed_2rp1 1
97 . . . . . . . . . . . . . . . . 19.75 . . . . . 28 . C8 . 28 . H8 parsed_2rp1 1
98 . . . . . . . . . . . . . . . . 15.59 . . . . . 29 . C6 . 29 . H6 parsed_2rp1 1
99 . . . . . . . . . . . . . . . . 1.16 . . . . . 30 . C5 . 30 . H5 parsed_2rp1 1
100 . . . . . . . . . . . . . . . . 12.17 . . . . . 30 . C6 . 30 . H6 parsed_2rp1 1
101 . . . . . . . . . . . . . . . . -31.00 . . . . . 11 . C1' . 11 . H1' parsed_2rp1 1
102 . . . . . . . . . . . . . . . . -25.35 . . . . . 12 . C1' . 12 . H1' parsed_2rp1 1
103 . . . . . . . . . . . . . . . . 4.21 . . . . . 12 . C3' . 12 . H3' parsed_2rp1 1
104 . . . . . . . . . . . . . . . . 8.66 . . . . . 12 . C4' . 12 . H4' parsed_2rp1 1
105 . . . . . . . . . . . . . . . . -25.23 . . . . . 13 . C1' . 13 . H1' parsed_2rp1 1
106 . . . . . . . . . . . . . . . . 13.17 . . . . . 13 . C2' . 13 . H2' parsed_2rp1 1
107 . . . . . . . . . . . . . . . . -2.78 . . . . . 13 . C3' . 13 . H3' parsed_2rp1 1
108 . . . . . . . . . . . . . . . . 2.08 . . . . . 13 . C4' . 13 . H4' parsed_2rp1 1
109 . . . . . . . . . . . . . . . . -29.80 . . . . . 28 . C1' . 28 . H1' parsed_2rp1 1
110 . . . . . . . . . . . . . . . . 25.42 . . . . . 28 . C2' . 28 . H2' parsed_2rp1 1
111 . . . . . . . . . . . . . . . . 28.97 . . . . . 28 . C3' . 28 . H3' parsed_2rp1 1
112 . . . . . . . . . . . . . . . . -36.35 . . . . . 29 . C1' . 29 . H1' parsed_2rp1 1
113 . . . . . . . . . . . . . . . . 34.24 . . . . . 29 . C2' . 29 . H2' parsed_2rp1 1
114 . . . . . . . . . . . . . . . . 4.66 . . . . . 29 . C3' . 29 . H3' parsed_2rp1 1
115 . . . . . . . . . . . . . . . . 14.76 . . . . . 29 . C4' . 29 . H4' parsed_2rp1 1
116 . . . . . . . . . . . . . . . . -32.33 . . . . . 30 . C1' . 30 . H1' parsed_2rp1 1
117 . . . . . . . . . . . . . . . . 3.40 . . . . . 30 . C2' . 30 . H2' parsed_2rp1 1
118 . . . . . . . . . . . . . . . . -8.05 . . . . . 30 . C3' . 30 . H3' parsed_2rp1 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 "Base H2/H5/H6/H8 dipolar couplings" 1 1 1 36 parsed_2rp1 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 20 and name C3' )
( resid 20 and name H3' ) 23.63 0.2000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 20 and name C4' )
( resid 20 and name H4' ) 35.38 0.2000
;
220 1 232 52 parsed_2rp1 1
3 "Base H2/H5/H6/H8 dipolar couplings" 352 1 352 36 parsed_2rp1 1
4 "Base H2/H5/H6/H8 dipolar couplings" 661 1 661 36 parsed_2rp1 1
stop_
save_
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