NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
501348 |
2l8h   |
17408 | cing | 2-parsed | STAR | dipolar coupling | 28 |
data_2l8h_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l8h
_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_2l8h 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l8h
_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 2l8h "Master copy" parsed_2l8h
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l8h
_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 2l8h.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l8h 1
1 2l8h.mr . . XPLOR/CNS 2 distance NOE simple 232 parsed_2l8h 1
1 2l8h.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 52 parsed_2l8h 1
1 2l8h.mr . . XPLOR/CNS 4 planarity "Not applicable" "Not applicable" 0 parsed_2l8h 1
1 2l8h.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 166 parsed_2l8h 1
1 2l8h.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 28 parsed_2l8h 1
1 2l8h.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l8h 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2l8h
_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 . . . . . . . . . . . . . . . . 3.0 . . . . . 17 . C8 . 17 . H8 parsed_2l8h 1
2 . . . . . . . . . . . . . . . . -3.0 . . . . . 18 . C8 . 18 . H8 parsed_2l8h 1
3 . . . . . . . . . . . . . . . . 9.5 . . . . . 19 . C6 . 19 . H6 parsed_2l8h 1
4 . . . . . . . . . . . . . . . . 4.0 . . . . . 20 . C2 . 20 . H2 parsed_2l8h 1
5 . . . . . . . . . . . . . . . . 11 . . . . . 20 . C8 . 20 . H8 parsed_2l8h 1
6 . . . . . . . . . . . . . . . . 18 . . . . . 21 . C8 . 21 . H8 parsed_2l8h 1
7 . . . . . . . . . . . . . . . . -17 . . . . . 21 . C1' . 21 . H1' parsed_2l8h 1
8 . . . . . . . . . . . . . . . . 16.5 . . . . . 22 . C2 . 22 . H2 parsed_2l8h 1
9 . . . . . . . . . . . . . . . . 16.5 . . . . . 22 . C8 . 22 . H8 parsed_2l8h 1
10 . . . . . . . . . . . . . . . . -4.5 . . . . . 40 . C5 . 40 . H5 parsed_2l8h 1
11 . . . . . . . . . . . . . . . . 10.5 . . . . . 41 . C5 . 41 . H5 parsed_2l8h 1
12 . . . . . . . . . . . . . . . . 30.5 . . . . . 42 . C5 . 42 . H5 parsed_2l8h 1
13 . . . . . . . . . . . . . . . . 8.0 . . . . . 43 . C1' . 43 . H1' parsed_2l8h 1
14 . . . . . . . . . . . . . . . . 9.0 . . . . . 43 . C8 . 43 . H8 parsed_2l8h 1
15 . . . . . . . . . . . . . . . . 22.5 . . . . . 44 . C5 . 44 . H5 parsed_2l8h 1
16 . . . . . . . . . . . . . . . . -1 . . . . . 44 . C6 . 44 . H6 parsed_2l8h 1
17 . . . . . . . . . . . . . . . . -5 . . . . . 45 . C1' . 45 . H1' parsed_2l8h 1
18 . . . . . . . . . . . . . . . . 9 . . . . . 27 . C8 . 27 . H8 parsed_2l8h 1
19 . . . . . . . . . . . . . . . . 11.5 . . . . . 27 . C2 . 27 . H2 parsed_2l8h 1
20 . . . . . . . . . . . . . . . . 12.5 . . . . . 28 . C8 . 28 . H8 parsed_2l8h 1
21 . . . . . . . . . . . . . . . . -5.5 . . . . . 29 . C6 . 29 . H6 parsed_2l8h 1
22 . . . . . . . . . . . . . . . . -3 . . . . . 29 . C1' . 29 . H1' parsed_2l8h 1
23 . . . . . . . . . . . . . . . . 12.5 . . . . . 30 . C5 . 30 . H5 parsed_2l8h 1
24 . . . . . . . . . . . . . . . . 18 . . . . . 36 . C8 . 36 . H8 parsed_2l8h 1
25 . . . . . . . . . . . . . . . . 11 . . . . . 37 . C5 . 37 . H5 parsed_2l8h 1
26 . . . . . . . . . . . . . . . . 16.5 . . . . . 38 . C5 . 38 . H5 parsed_2l8h 1
27 . . . . . . . . . . . . . . . . 6.5 . . . . . 39 . C6 . 39 . H6 parsed_2l8h 1
28 . . . . . . . . . . . . . . . . 17.5 . . . . . 39 . C5 . 39 . H5 parsed_2l8h 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
;
RDC restraints
HIV-1 TAR MV2003 RDCs measured in aprox 15mg/ml phage
0.85 mM fully labeled sample, 10 mM K phosphate buffer
with 0.1 mM EDTA pH 6.6, starting Da/R -21 and 0.29
Good 1.6, Fair 2.0, Some OL 2.4
Lower stem
G17
;
1 1 10 5 parsed_2l8h 1
2 G18 18 1 18 5 parsed_2l8h 1
3 C19 26 1 26 5 parsed_2l8h 1
4 A20 34 1 34 5 parsed_2l8h 1
5 G21 49 1 49 5 parsed_2l8h 1
6 A22 64 1 64 5 parsed_2l8h 1
7 U40 79 1 79 5 parsed_2l8h 1
8 C41 87 1 87 5 parsed_2l8h 1
9 U42 95 1 95 5 parsed_2l8h 1
10 G43 103 1 103 5 parsed_2l8h 1
11 C44 118 1 118 5 parsed_2l8h 1
12 C45 133 1 133 5 parsed_2l8h 1
13
;
Upper stem
A27
;
142 1 144 5 parsed_2l8h 1
14 G28 160 1 160 5 parsed_2l8h 1
15 C29 168 1 168 5 parsed_2l8h 1
16 C30 183 1 183 5 parsed_2l8h 1
17 G36 191 1 191 5 parsed_2l8h 1
18 C37 199 1 199 5 parsed_2l8h 1
19 U38 207 1 207 5 parsed_2l8h 1
20 C39 215 1 215 5 parsed_2l8h 1
stop_
save_
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