NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
39222 |
1ss7   |
cing | 2-parsed | STAR | dipolar coupling | 102 |
data_1ss7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ss7
_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_1ss7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ss7
_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 1ss7 "Master copy" parsed_1ss7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ss7
_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 1ss7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ss7 1
1 1ss7.mr . . XPLOR/CNS 2 distance "general distance" simple 96 parsed_1ss7 1
1 1ss7.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1ss7 1
1 1ss7.mr . . XPLOR/CNS 4 distance NOE simple 316 parsed_1ss7 1
1 1ss7.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 90 parsed_1ss7 1
1 1ss7.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1ss7 1
1 1ss7.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 102 parsed_1ss7 1
1 1ss7.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ss7 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1ss7
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . 20.5100 . . . . . 2 . N1 . 2 . H1 parsed_1ss7 1
2 . . . . . . . . . . . . . . . . 20.5100 . . . . . 4 . N1 . 4 . H1 parsed_1ss7 1
3 . . . . . . . . . . . . . . . . 21.7200 . . . . . 5 . N1 . 5 . H1 parsed_1ss7 1
4 . . . . . . . . . . . . . . . . 22.7700 . . . . . 6 . N3 . 6 . H3 parsed_1ss7 1
5 . . . . . . . . . . . . . . . . 19.9800 . . . . . 7 . N3 . 7 . H3 parsed_1ss7 1
6 . . . . . . . . . . . . . . . . 18.1600 . . . . . 8 . N3 . 8 . H3 parsed_1ss7 1
7 . . . . . . . . . . . . . . . . 19.9200 . . . . . 14 . N3 . 14 . H3 parsed_1ss7 1
8 . . . . . . . . . . . . . . . . 20.5100 . . . . . 18 . N1 . 18 . H1 parsed_1ss7 1
9 . . . . . . . . . . . . . . . . 20.5100 . . . . . 20 . N1 . 20 . H1 parsed_1ss7 1
10 . . . . . . . . . . . . . . . . 21.7200 . . . . . 21 . N1 . 21 . H1 parsed_1ss7 1
11 . . . . . . . . . . . . . . . . 22.7700 . . . . . 22 . N3 . 22 . H3 parsed_1ss7 1
12 . . . . . . . . . . . . . . . . 19.9800 . . . . . 23 . N3 . 23 . H3 parsed_1ss7 1
13 . . . . . . . . . . . . . . . . 18.1600 . . . . . 24 . N3 . 24 . H3 parsed_1ss7 1
14 . . . . . . . . . . . . . . . . 19.9200 . . . . . 30 . N3 . 30 . H3 parsed_1ss7 1
15 . . . . . . . . . . . . . . . . 29.450 . . . . . 2 . C1' . 2 . H1' parsed_1ss7 1
16 . . . . . . . . . . . . . . . . 33.140 . . . . . 4 . C1' . 4 . H1' parsed_1ss7 1
17 . . . . . . . . . . . . . . . . 36.830 . . . . . 6 . C1' . 6 . H1' parsed_1ss7 1
18 . . . . . . . . . . . . . . . . 36.830 . . . . . 8 . C1' . 8 . H1' parsed_1ss7 1
19 . . . . . . . . . . . . . . . . 40.520 . . . . . 9 . C1' . 9 . H1' parsed_1ss7 1
20 . . . . . . . . . . . . . . . . 36.830 . . . . . 10 . C1' . 10 . H1' parsed_1ss7 1
21 . . . . . . . . . . . . . . . . 22.090 . . . . . 12 . C1' . 12 . H1' parsed_1ss7 1
22 . . . . . . . . . . . . . . . . 36.830 . . . . . 14 . C1' . 14 . H1' parsed_1ss7 1
23 . . . . . . . . . . . . . . . . 29.450 . . . . . 18 . C1' . 18 . H1' parsed_1ss7 1
24 . . . . . . . . . . . . . . . . 33.130 . . . . . 20 . C1' . 20 . H1' parsed_1ss7 1
25 . . . . . . . . . . . . . . . . 36.830 . . . . . 22 . C1' . 22 . H1' parsed_1ss7 1
26 . . . . . . . . . . . . . . . . 36.830 . . . . . 24 . C1' . 24 . H1' parsed_1ss7 1
27 . . . . . . . . . . . . . . . . 40.520 . . . . . 25 . C1' . 25 . H1' parsed_1ss7 1
28 . . . . . . . . . . . . . . . . 36.830 . . . . . 26 . C1' . 26 . H1' parsed_1ss7 1
29 . . . . . . . . . . . . . . . . 22.090 . . . . . 28 . C1' . 28 . H1' parsed_1ss7 1
30 . . . . . . . . . . . . . . . . 36.830 . . . . . 30 . C1' . 30 . H1' parsed_1ss7 1
31 . . . . . . . . . . . . . . . . 29.080 . . . . . 3 . C1' . 3 . H1' parsed_1ss7 1
32 . . . . . . . . . . . . . . . . 29.080 . . . . . 19 . C1' . 19 . H1' parsed_1ss7 1
33 . . . . . . . . . . . . . . . . 29.080 . . . . . 7 . C1' . 7 . H1' parsed_1ss7 1
34 . . . . . . . . . . . . . . . . 29.080 . . . . . 23 . C1' . 23 . H1' parsed_1ss7 1
35 . . . . . . . . . . . . . . . . 19.400 . . . . . 5 . C1' . 5 . H1' parsed_1ss7 1
36 . . . . . . . . . . . . . . . . 19.400 . . . . . 21 . C1' . 21 . H1' parsed_1ss7 1
37 . . . . . . . . . . . . . . . . 33.920 . . . . . 11 . C1' . 11 . H1' parsed_1ss7 1
38 . . . . . . . . . . . . . . . . 33.920 . . . . . 27 . C1' . 27 . H1' parsed_1ss7 1
39 . . . . . . . . . . . . . . . . 19.360 . . . . . 13 . C1' . 13 . H1' parsed_1ss7 1
40 . . . . . . . . . . . . . . . . 19.360 . . . . . 29 . C1' . 29 . H1' parsed_1ss7 1
41 . . . . . . . . . . . . . . . . 24.230 . . . . . 15 . C1' . 15 . H1' parsed_1ss7 1
42 . . . . . . . . . . . . . . . . 24.230 . . . . . 31 . C1' . 31 . H1' parsed_1ss7 1
43 . . . . . . . . . . . . . . . . 33.150 . . . . . 2 . C3' . 2 . H3' parsed_1ss7 1
44 . . . . . . . . . . . . . . . . 36.830 . . . . . 4 . C3' . 4 . H3' parsed_1ss7 1
45 . . . . . . . . . . . . . . . . 29.460 . . . . . 6 . C3' . 6 . H3' parsed_1ss7 1
46 . . . . . . . . . . . . . . . . 25.780 . . . . . 8 . C3' . 8 . H3' parsed_1ss7 1
47 . . . . . . . . . . . . . . . . 25.780 . . . . . 9 . C3' . 9 . H3' parsed_1ss7 1
48 . . . . . . . . . . . . . . . . 33.160 . . . . . 10 . C3' . 10 . H3' parsed_1ss7 1
49 . . . . . . . . . . . . . . . . 14.730 . . . . . 12 . C3' . 12 . H3' parsed_1ss7 1
50 . . . . . . . . . . . . . . . . 29.460 . . . . . 14 . C3' . 14 . H3' parsed_1ss7 1
51 . . . . . . . . . . . . . . . . 33.150 . . . . . 18 . C3' . 18 . H3' parsed_1ss7 1
52 . . . . . . . . . . . . . . . . 36.830 . . . . . 20 . C3' . 20 . H3' parsed_1ss7 1
53 . . . . . . . . . . . . . . . . 29.460 . . . . . 22 . C3' . 22 . H3' parsed_1ss7 1
54 . . . . . . . . . . . . . . . . 25.780 . . . . . 24 . C3' . 24 . H3' parsed_1ss7 1
55 . . . . . . . . . . . . . . . . 25.780 . . . . . 25 . C3' . 25 . H3' parsed_1ss7 1
56 . . . . . . . . . . . . . . . . 33.160 . . . . . 26 . C3' . 26 . H3' parsed_1ss7 1
57 . . . . . . . . . . . . . . . . 14.730 . . . . . 28 . C3' . 28 . H3' parsed_1ss7 1
58 . . . . . . . . . . . . . . . . 29.460 . . . . . 30 . C3' . 30 . H3' parsed_1ss7 1
59 . . . . . . . . . . . . . . . . 14.730 . . . . . 2 . C4' . 2 . H4' parsed_1ss7 1
60 . . . . . . . . . . . . . . . . 29.440 . . . . . 4 . C4' . 4 . H4' parsed_1ss7 1
61 . . . . . . . . . . . . . . . . 21.910 . . . . . 6 . C4' . 6 . H4' parsed_1ss7 1
62 . . . . . . . . . . . . . . . . 22.110 . . . . . 8 . C4' . 8 . H4' parsed_1ss7 1
63 . . . . . . . . . . . . . . . . 7.370 . . . . . 12 . C4' . 12 . H4' parsed_1ss7 1
64 . . . . . . . . . . . . . . . . 18.220 . . . . . 14 . C4' . 14 . H4' parsed_1ss7 1
65 . . . . . . . . . . . . . . . . 14.730 . . . . . 18 . C4' . 18 . H4' parsed_1ss7 1
66 . . . . . . . . . . . . . . . . 29.440 . . . . . 20 . C4' . 20 . H4' parsed_1ss7 1
67 . . . . . . . . . . . . . . . . 21.910 . . . . . 22 . C4' . 22 . H4' parsed_1ss7 1
68 . . . . . . . . . . . . . . . . 22.110 . . . . . 24 . C4' . 24 . H4' parsed_1ss7 1
69 . . . . . . . . . . . . . . . . 7.370 . . . . . 28 . C4' . 28 . H4' parsed_1ss7 1
70 . . . . . . . . . . . . . . . . 18.220 . . . . . 30 . C4' . 30 . H4' parsed_1ss7 1
71 . . . . . . . . . . . . . . . . 29.470 . . . . . 2 . C8 . 2 . H8 parsed_1ss7 1
72 . . . . . . . . . . . . . . . . 38.760 . . . . . 3 . C8 . 3 . H8 parsed_1ss7 1
73 . . . . . . . . . . . . . . . . 36.820 . . . . . 4 . C8 . 4 . H8 parsed_1ss7 1
74 . . . . . . . . . . . . . . . . 29.070 . . . . . 5 . C8 . 5 . H8 parsed_1ss7 1
75 . . . . . . . . . . . . . . . . 29.460 . . . . . 9 . C8 . 9 . H8 parsed_1ss7 1
76 . . . . . . . . . . . . . . . . 36.830 . . . . . 10 . C8 . 10 . H8 parsed_1ss7 1
77 . . . . . . . . . . . . . . . . 38.760 . . . . . 11 . C8 . 11 . H8 parsed_1ss7 1
78 . . . . . . . . . . . . . . . . 29.470 . . . . . 18 . C8 . 18 . H8 parsed_1ss7 1
79 . . . . . . . . . . . . . . . . 38.760 . . . . . 19 . C8 . 19 . H8 parsed_1ss7 1
80 . . . . . . . . . . . . . . . . 36.820 . . . . . 20 . C8 . 20 . H8 parsed_1ss7 1
81 . . . . . . . . . . . . . . . . 29.070 . . . . . 21 . C8 . 21 . H8 parsed_1ss7 1
82 . . . . . . . . . . . . . . . . 29.460 . . . . . 25 . C8 . 25 . H8 parsed_1ss7 1
83 . . . . . . . . . . . . . . . . 36.830 . . . . . 26 . C8 . 26 . H8 parsed_1ss7 1
84 . . . . . . . . . . . . . . . . 38.760 . . . . . 27 . C8 . 27 . H8 parsed_1ss7 1
85 . . . . . . . . . . . . . . . . 43.610 . . . . . 7 . C6 . 7 . H6 parsed_1ss7 1
86 . . . . . . . . . . . . . . . . 44.190 . . . . . 8 . C6 . 8 . H6 parsed_1ss7 1
87 . . . . . . . . . . . . . . . . 44.190 . . . . . 14 . C6 . 14 . H6 parsed_1ss7 1
88 . . . . . . . . . . . . . . . . 24.220 . . . . . 15 . C6 . 15 . H6 parsed_1ss7 1
89 . . . . . . . . . . . . . . . . 43.610 . . . . . 23 . C6 . 23 . H6 parsed_1ss7 1
90 . . . . . . . . . . . . . . . . 44.190 . . . . . 24 . C6 . 24 . H6 parsed_1ss7 1
91 . . . . . . . . . . . . . . . . 44.190 . . . . . 30 . C6 . 30 . H6 parsed_1ss7 1
92 . . . . . . . . . . . . . . . . 24.220 . . . . . 31 . C6 . 31 . H6 parsed_1ss7 1
93 . . . . . . . . . . . . . . . . 29.460 . . . . . 12 . C5 . 12 . H5 parsed_1ss7 1
94 . . . . . . . . . . . . . . . . 29.460 . . . . . 28 . C5 . 28 . H5 parsed_1ss7 1
95 . . . . . . . . . . . . . . . . 43.620 . . . . . 13 . C5 . 13 . H5 parsed_1ss7 1
96 . . . . . . . . . . . . . . . . 43.620 . . . . . 29 . C5 . 29 . H5 parsed_1ss7 1
97 . . . . . . . . . . . . . . . . 33.920 . . . . . 15 . C5 . 15 . H5 parsed_1ss7 1
98 . . . . . . . . . . . . . . . . 33.920 . . . . . 31 . C5 . 31 . H5 parsed_1ss7 1
99 . . . . . . . . . . . . . . . . 36.820 . . . . . 9 . C2 . 9 . H2 parsed_1ss7 1
100 . . . . . . . . . . . . . . . . 29.450 . . . . . 10 . C2 . 10 . H2 parsed_1ss7 1
101 . . . . . . . . . . . . . . . . 36.820 . . . . . 25 . C2 . 25 . H2 parsed_1ss7 1
102 . . . . . . . . . . . . . . . . 29.4500 . . . . . 26 . C2 . 26 . H2 parsed_1ss7 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 "Sugar couplings" 100 1 100 17 parsed_1ss7 1
2 "For TpA-1 labeling pattern" 214 1 214 28 parsed_1ss7 1
3 "Base couplings" 496 1 496 16 parsed_1ss7 1
stop_
save_
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