NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
38768 |
1s34   |
6062 | cing | 2-parsed | STAR | dipolar coupling | 117 |
data_1s34_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1s34
_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_1s34 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1s34
_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 1s34 "Master copy" parsed_1s34
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1s34
_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 1s34.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1s34 1
1 1s34.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 85 parsed_1s34 1
1 1s34.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 46 parsed_1s34 1
1 1s34.mr . . XPLOR/CNS 4 distance NOE simple 377 parsed_1s34 1
1 1s34.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_1s34 1
1 1s34.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 117 parsed_1s34 1
1 1s34.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1s34 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1s34
_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 . . . . . . . . . . . . . . . . -0.922 . . . . . 7 . C4 . 7 . C5 parsed_1s34 1
2 . . . . . . . . . . . . . . . . 0.1680 . . . . . 10 . C4 . 10 . C5 parsed_1s34 1
3 . . . . . . . . . . . . . . . . 0.422 . . . . . 11 . C4 . 11 . C5 parsed_1s34 1
4 . . . . . . . . . . . . . . . . -0.308 . . . . . 12 . C4 . 12 . C5 parsed_1s34 1
5 . . . . . . . . . . . . . . . . 0.4530 . . . . . 14 . C4 . 14 . C5 parsed_1s34 1
6 . . . . . . . . . . . . . . . . 0.4400 . . . . . 16 . C4 . 16 . C5 parsed_1s34 1
7 . . . . . . . . . . . . . . . . 0.7110 . . . . . 17 . C4 . 17 . C5 parsed_1s34 1
8 . . . . . . . . . . . . . . . . 1.9870 . . . . . 18 . C4 . 18 . C5 parsed_1s34 1
9 . . . . . . . . . . . . . . . . 2.5180 . . . . . 21 . C4 . 21 . C5 parsed_1s34 1
10 . . . . . . . . . . . . . . . . 0.4160 . . . . . 22 . C4 . 22 . C5 parsed_1s34 1
11 . . . . . . . . . . . . . . . . -0.290 . . . . . 23 . C4 . 23 . C5 parsed_1s34 1
12 . . . . . . . . . . . . . . . . 2.332 . . . . . 10 . C5 . 10 . C6 parsed_1s34 1
13 . . . . . . . . . . . . . . . . 0.220 . . . . . 11 . C5 . 11 . C6 parsed_1s34 1
14 . . . . . . . . . . . . . . . . 0.225 . . . . . 12 . C5 . 12 . C6 parsed_1s34 1
15 . . . . . . . . . . . . . . . . 2.827 . . . . . 17 . C5 . 17 . C6 parsed_1s34 1
16 . . . . . . . . . . . . . . . . 3.004 . . . . . 18 . C5 . 18 . C6 parsed_1s34 1
17 . . . . . . . . . . . . . . . . 0.331 . . . . . 19 . C5 . 19 . C6 parsed_1s34 1
18 . . . . . . . . . . . . . . . . 0.885 . . . . . 20 . C5 . 20 . C6 parsed_1s34 1
19 . . . . . . . . . . . . . . . . 0.717 . . . . . 21 . C5 . 21 . C6 parsed_1s34 1
20 . . . . . . . . . . . . . . . . 1.423 . . . . . 22 . C5 . 22 . C6 parsed_1s34 1
21 . . . . . . . . . . . . . . . . 1.754 . . . . . 23 . C5 . 23 . C6 parsed_1s34 1
22 . . . . . . . . . . . . . . . . -2.230 . . . . . 1 . C2' . 1 . C3' parsed_1s34 1
23 . . . . . . . . . . . . . . . . -1.554 . . . . . 3 . C2' . 3 . C3' parsed_1s34 1
24 . . . . . . . . . . . . . . . . 0.365 . . . . . 6 . C2' . 6 . C3' parsed_1s34 1
25 . . . . . . . . . . . . . . . . 0.118 . . . . . 9 . C2' . 9 . C3' parsed_1s34 1
26 . . . . . . . . . . . . . . . . 0.177 . . . . . 10 . C2' . 10 . C3' parsed_1s34 1
27 . . . . . . . . . . . . . . . . 0.192 . . . . . 11 . C2' . 11 . C3' parsed_1s34 1
28 . . . . . . . . . . . . . . . . -0.244 . . . . . 12 . C2' . 12 . C3' parsed_1s34 1
29 . . . . . . . . . . . . . . . . 0.2570 . . . . . 13 . C2' . 13 . C3' parsed_1s34 1
30 . . . . . . . . . . . . . . . . -0.596 . . . . . 14 . C2' . 14 . C3' parsed_1s34 1
31 . . . . . . . . . . . . . . . . 0.217 . . . . . 23 . C2' . 23 . C3' parsed_1s34 1
32 . . . . . . . . . . . . . . . . 0.315 . . . . . 11 . C3' . 11 . C4' parsed_1s34 1
33 . . . . . . . . . . . . . . . . -0.043 . . . . . 12 . C3' . 12 . C4' parsed_1s34 1
34 . . . . . . . . . . . . . . . . -0.511 . . . . . 13 . C3' . 13 . C4' parsed_1s34 1
35 . . . . . . . . . . . . . . . . 4.0000 . . . . . 1 . C8 . 1 . H8 parsed_1s34 1
36 . . . . . . . . . . . . . . . . 5.6000 . . . . . 3 . C8 . 3 . H8 parsed_1s34 1
37 . . . . . . . . . . . . . . . . 16.8000 . . . . . 4 . C8 . 4 . H8 parsed_1s34 1
38 . . . . . . . . . . . . . . . . 27.2000 . . . . . 5 . C8 . 5 . H8 parsed_1s34 1
39 . . . . . . . . . . . . . . . . 10.4000 . . . . . 8 . C8 . 8 . H8 parsed_1s34 1
40 . . . . . . . . . . . . . . . . 4.0000 . . . . . 9 . C8 . 9 . H8 parsed_1s34 1
41 . . . . . . . . . . . . . . . . 0.8000 . . . . . 10 . C6 . 10 . H6 parsed_1s34 1
42 . . . . . . . . . . . . . . . . 3.2000 . . . . . 11 . C6 . 11 . H6 parsed_1s34 1
43 . . . . . . . . . . . . . . . . 2.4000 . . . . . 12 . C6 . 12 . H6 parsed_1s34 1
44 . . . . . . . . . . . . . . . . 11.200 . . . . . 13 . C8 . 13 . H8 parsed_1s34 1
45 . . . . . . . . . . . . . . . . 5.600 . . . . . 14 . C6 . 14 . H6 parsed_1s34 1
46 . . . . . . . . . . . . . . . . 17.6000 . . . . . 15 . C8 . 15 . H8 parsed_1s34 1
47 . . . . . . . . . . . . . . . . 12.0000 . . . . . 20 . C6 . 20 . H6 parsed_1s34 1
48 . . . . . . . . . . . . . . . . 8.0000 . . . . . 21 . C6 . 21 . H6 parsed_1s34 1
49 . . . . . . . . . . . . . . . . -8.8000 . . . . . 23 . C6 . 23 . H6 parsed_1s34 1
50 . . . . . . . . . . . . . . . . 15.2000 . . . . . 5 . C2 . 5 . H2 parsed_1s34 1
51 . . . . . . . . . . . . . . . . 19.2000 . . . . . 15 . C2 . 15 . H2 parsed_1s34 1
52 . . . . . . . . . . . . . . . . 0.0450 . . . . . 10 . C5 . 10 . H5 parsed_1s34 1
53 . . . . . . . . . . . . . . . . -5.8500 . . . . . 14 . C5 . 14 . H5 parsed_1s34 1
54 . . . . . . . . . . . . . . . . 6.6170 . . . . . 17 . C5 . 17 . H5 parsed_1s34 1
55 . . . . . . . . . . . . . . . . -1.1390 . . . . . 18 . C5 . 18 . H5 parsed_1s34 1
56 . . . . . . . . . . . . . . . . 25.266 . . . . . 21 . C5 . 21 . H5 parsed_1s34 1
57 . . . . . . . . . . . . . . . . -28.80 . . . . . 2 . C1' . 2 . H1' parsed_1s34 1
58 . . . . . . . . . . . . . . . . -23.2000 . . . . . 3 . C1' . 3 . H1' parsed_1s34 1
59 . . . . . . . . . . . . . . . . -25.6000 . . . . . 4 . C1' . 4 . H1' parsed_1s34 1
60 . . . . . . . . . . . . . . . . -7.6000 . . . . . 5 . C1' . 5 . H1' parsed_1s34 1
61 . . . . . . . . . . . . . . . . 10.4000 . . . . . 6 . C1' . 6 . H1' parsed_1s34 1
62 . . . . . . . . . . . . . . . . 3.2000 . . . . . 7 . C1' . 7 . H1' parsed_1s34 1
63 . . . . . . . . . . . . . . . . -1.600 . . . . . 8 . C1' . 8 . H1' parsed_1s34 1
64 . . . . . . . . . . . . . . . . 0.4000 . . . . . 9 . C1' . 9 . H1' parsed_1s34 1
65 . . . . . . . . . . . . . . . . -4.4000 . . . . . 10 . C1' . 10 . H1' parsed_1s34 1
66 . . . . . . . . . . . . . . . . -4.000 . . . . . 11 . C1' . 11 . H1' parsed_1s34 1
67 . . . . . . . . . . . . . . . . 3.200 . . . . . 12 . C1' . 12 . H1' parsed_1s34 1
68 . . . . . . . . . . . . . . . . 1.866 . . . . . 13 . C1' . 13 . H1' parsed_1s34 1
69 . . . . . . . . . . . . . . . . -7.466 . . . . . 14 . C1' . 14 . H1' parsed_1s34 1
70 . . . . . . . . . . . . . . . . -20.8000 . . . . . 17 . C1' . 17 . H1' parsed_1s34 1
71 . . . . . . . . . . . . . . . . -10.4000 . . . . . 19 . C1' . 19 . H1' parsed_1s34 1
72 . . . . . . . . . . . . . . . . 6.8000 . . . . . 20 . C1' . 20 . H1' parsed_1s34 1
73 . . . . . . . . . . . . . . . . 7.2000 . . . . . 22 . C1' . 22 . H1' parsed_1s34 1
74 . . . . . . . . . . . . . . . . 4.0000 . . . . . 23 . C1' . 23 . H1' parsed_1s34 1
75 . . . . . . . . . . . . . . . . 0.8000 . . . . . 2 . C2' . 2 . H2'' parsed_1s34 1
76 . . . . . . . . . . . . . . . . 7.2000 . . . . . 4 . C2' . 4 . H2'' parsed_1s34 1
77 . . . . . . . . . . . . . . . . 0.0000 . . . . . 5 . C2' . 5 . H2'' parsed_1s34 1
78 . . . . . . . . . . . . . . . . 4.0000 . . . . . 6 . C2' . 6 . H2'' parsed_1s34 1
79 . . . . . . . . . . . . . . . . 0.0000 . . . . . 9 . C2' . 9 . H2'' parsed_1s34 1
80 . . . . . . . . . . . . . . . . 12.8000 . . . . . 10 . C2' . 10 . H2'' parsed_1s34 1
81 . . . . . . . . . . . . . . . . 6.4000 . . . . . 11 . C2' . 11 . H2'' parsed_1s34 1
82 . . . . . . . . . . . . . . . . 0.2660 . . . . . 12 . C2' . 12 . H2'' parsed_1s34 1
83 . . . . . . . . . . . . . . . . -8.0000 . . . . . 13 . C2' . 13 . H2'' parsed_1s34 1
84 . . . . . . . . . . . . . . . . -8.0000 . . . . . 14 . C2' . 14 . H2'' parsed_1s34 1
85 . . . . . . . . . . . . . . . . -2.4000 . . . . . 17 . C2' . 17 . H2' parsed_1s34 1
86 . . . . . . . . . . . . . . . . 0.0000 . . . . . 20 . C2' . 20 . H2'' parsed_1s34 1
87 . . . . . . . . . . . . . . . . 0.8000 . . . . . 21 . C2' . 21 . H2'' parsed_1s34 1
88 . . . . . . . . . . . . . . . . 1.6000 . . . . . 22 . C2' . 22 . H2'' parsed_1s34 1
89 . . . . . . . . . . . . . . . . 16.8000 . . . . . 23 . C2' . 23 . H2'' parsed_1s34 1
90 . . . . . . . . . . . . . . . . 4.8000 . . . . . 4 . C3' . 4 . H3' parsed_1s34 1
91 . . . . . . . . . . . . . . . . -7.2000 . . . . . 5 . C3' . 5 . H3' parsed_1s34 1
92 . . . . . . . . . . . . . . . . 19.2000 . . . . . 9 . C3' . 9 . H3' parsed_1s34 1
93 . . . . . . . . . . . . . . . . 13.6000 . . . . . 10 . C3' . 10 . H3' parsed_1s34 1
94 . . . . . . . . . . . . . . . . 0.6000 . . . . . 11 . C3' . 11 . H3' parsed_1s34 1
95 . . . . . . . . . . . . . . . . -6.1330 . . . . . 12 . C3' . 12 . H3' parsed_1s34 1
96 . . . . . . . . . . . . . . . . 0.4800 . . . . . 13 . C3' . 13 . H3' parsed_1s34 1
97 . . . . . . . . . . . . . . . . 7.2000 . . . . . 14 . C3' . 14 . H3' parsed_1s34 1
98 . . . . . . . . . . . . . . . . 5.6000 . . . . . 17 . C3' . 17 . H3' parsed_1s34 1
99 . . . . . . . . . . . . . . . . 2.4000 . . . . . 20 . C3' . 20 . H3' parsed_1s34 1
100 . . . . . . . . . . . . . . . . 16.8000 . . . . . 23 . C3' . 23 . H3' parsed_1s34 1
101 . . . . . . . . . . . . . . . . 13.6000 . . . . . 4 . C4' . 4 . H4' parsed_1s34 1
102 . . . . . . . . . . . . . . . . 2.4000 . . . . . 7 . C4' . 7 . H4' parsed_1s34 1
103 . . . . . . . . . . . . . . . . 20.8000 . . . . . 10 . C4' . 10 . H4' parsed_1s34 1
104 . . . . . . . . . . . . . . . . 0.8000 . . . . . 11 . C4' . 11 . H4' parsed_1s34 1
105 . . . . . . . . . . . . . . . . -4.4000 . . . . . 12 . C4' . 12 . H4' parsed_1s34 1
106 . . . . . . . . . . . . . . . . 0.6400 . . . . . 13 . C4' . 13 . H4' parsed_1s34 1
107 . . . . . . . . . . . . . . . . 1.2000 . . . . . 14 . C4' . 14 . H4' parsed_1s34 1
108 . . . . . . . . . . . . . . . . 8.8000 . . . . . 20 . C4' . 20 . H4' parsed_1s34 1
109 . . . . . . . . . . . . . . . . 18.4000 . . . . . 22 . C4' . 22 . H4' parsed_1s34 1
110 . . . . . . . . . . . . . . . . 1.337 . . . . . 2 . N1 . 2 . H1 parsed_1s34 1
111 . . . . . . . . . . . . . . . . 5.4100 . . . . . 3 . N1 . 3 . H1 parsed_1s34 1
112 . . . . . . . . . . . . . . . . 8.8750 . . . . . 4 . N1 . 4 . H1 parsed_1s34 1
113 . . . . . . . . . . . . . . . . 8.5100 . . . . . 6 . N1 . 6 . H1 parsed_1s34 1
114 . . . . . . . . . . . . . . . . 3.220 . . . . . 8 . N1 . 8 . H1 parsed_1s34 1
115 . . . . . . . . . . . . . . . . 2.0000 . . . . . 9 . N1 . 9 . H1 parsed_1s34 1
116 . . . . . . . . . . . . . . . . 11.310 . . . . . 19 . N3 . 19 . H3 parsed_1s34 1
117 . . . . . . . . . . . . . . . . 9.179 . . . . . 20 . N3 . 20 . H3 parsed_1s34 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
;
ORIENTATIONAL RESTRAINTS
Date: Wed Jul 23 2003
D couplings for NRS C4-C5 pyrimidines
;
2 1 4 40 parsed_1s34 1
2
;
Date: Wed Jul 23 2003
D couplings for NRS C5-C6
;
83 1 84 28 parsed_1s34 1
3
;
Date: Wed Jul 23 2003
D couplings for NRS C2'-C3', C3'-C4'
;
155 1 156 39 parsed_1s34 1
4 average 198 55 198 63 parsed_1s34 1
5 average 212 57 212 65 parsed_1s34 1
6 "base CH dipolar couplings including the loop ones" 248 1 248 51 parsed_1s34 1
7
;
Date: Mon Jun 16 2003
D couplings for NRS
;
402 1 403 23 parsed_1s34 1
8
;
Date: Tue Jul 8 2003
D couplings for NRS
;
777 1 778 23 parsed_1s34 1
stop_
save_
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