NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
53214 |
2p89   |
cing | 2-parsed | STAR | dipolar coupling | 32 |
data_2p89_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2p89
_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_2p89 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2p89
_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 2p89 "Master copy" parsed_2p89
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2p89
_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 2p89.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2p89 1
1 2p89.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2p89 1
1 2p89.mr . . XPLOR/CNS 3 distance NOE simple 767 parsed_2p89 1
1 2p89.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 106 parsed_2p89 1
1 2p89.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 350 parsed_2p89 1
1 2p89.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 32 parsed_2p89 1
1 2p89.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_2p89 1
1 2p89.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2p89 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2p89
_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 . . . . . . . . . . . . . . . . -3.3 -5.3 -1.3 . . . 16 . H1' . 16 . C1' parsed_2p89 1
2 . . . . . . . . . . . . . . . . 28.6 26.6 30.6 . . . 17 . H1' . 17 . C1' parsed_2p89 1
3 . . . . . . . . . . . . . . . . 16.0 14.0 18.0 . . . 17 . H5 . 17 . C5 parsed_2p89 1
4 . . . . . . . . . . . . . . . . -0.6 -2.6 1.4 . . . 17 . H6 . 17 . C6 parsed_2p89 1
5 . . . . . . . . . . . . . . . . 8.3 6.3 10.3 . . . 21 . H1' . 21 . C1' parsed_2p89 1
6 . . . . . . . . . . . . . . . . 13.3 11.3 15.3 . . . 23 . H1' . 23 . C1' parsed_2p89 1
7 . . . . . . . . . . . . . . . . -56.6 -58.6 -54.6 . . . 33 . H1' . 33 . C1' parsed_2p89 1
8 . . . . . . . . . . . . . . . . 4.4 2.4 6.4 . . . 6 . H5 . 6 . C5 parsed_2p89 1
9 . . . . . . . . . . . . . . . . -5.6 -7.6 -3.6 . . . 6 . H6 . 6 . C6 parsed_2p89 1
10 . . . . . . . . . . . . . . . . -2.7 -4.7 -0.7 . . . 6 . H1' . 6 . C1' parsed_2p89 1
11 . . . . . . . . . . . . . . . . 2.1 0.1 4.1 . . . 5 . H1' . 5 . C1' parsed_2p89 1
12 . . . . . . . . . . . . . . . . 6.1 4.1 8.1 . . . 10 . H8 . 10 . C8 parsed_2p89 1
13 . . . . . . . . . . . . . . . . 5.5 3.5 7.5 . . . 11 . H8 . 11 . C8 parsed_2p89 1
14 . . . . . . . . . . . . . . . . 6.2 4.2 8.2 . . . 11 . H2 . 11 . C2 parsed_2p89 1
15 . . . . . . . . . . . . . . . . -5.8 -7.8 -3.8 . . . 12 . H2 . 12 . C2 parsed_2p89 1
16 . . . . . . . . . . . . . . . . -0.3 -2.3 1.7 . . . 12 . H8 . 12 . C8 parsed_2p89 1
17 . . . . . . . . . . . . . . . . 1.8 -0.2 3.8 . . . 30 . H8 . 30 . C8 parsed_2p89 1
18 . . . . . . . . . . . . . . . . -2.5 -4.5 -0.5 . . . 29 . H2 . 29 . C2 parsed_2p89 1
19 . . . . . . . . . . . . . . . . 10.6 8.6 12.6 . . . 2 . H8 . 2 . C8 parsed_2p89 1
20 . . . . . . . . . . . . . . . . 4.9 2.9 6.9 . . . 8 . H8 . 8 . C8 parsed_2p89 1
21 . . . . . . . . . . . . . . . . -3.8 -5.8 -1.8 . . . 9 . H8 . 9 . C8 parsed_2p89 1
22 . . . . . . . . . . . . . . . . 20.4 18.4 22.4 . . . 1 . H8 . 1 . C8 parsed_2p89 1
23 . . . . . . . . . . . . . . . . -50.0 -52.0 -48.0 . . . 3 . H6 . 3 . C6 parsed_2p89 1
24 . . . . . . . . . . . . . . . . -49.0 -51.0 -47.0 . . . 4 . H6 . 4 . C6 parsed_2p89 1
25 . . . . . . . . . . . . . . . . 12.5 10.5 14.5 . . . 36 . H6 . 36 . C6 parsed_2p89 1
26 . . . . . . . . . . . . . . . . 6.7 4.7 8.7 . . . 43 . H6 . 43 . C6 parsed_2p89 1
27 . . . . . . . . . . . . . . . . -4.4 -6.4 -2.4 . . . 45 . H6 . 45 . C6 parsed_2p89 1
28 . . . . . . . . . . . . . . . . 7.3 5.3 9.3 . . . 46 . H5 . 46 . C5 parsed_2p89 1
29 . . . . . . . . . . . . . . . . -4.0 -6.0 -2.0 . . . 47 . H6 . 47 . C6 parsed_2p89 1
30 . . . . . . . . . . . . . . . . 12.2 10.2 14.2 . . . 38 . H8 . 38 . C8 parsed_2p89 1
31 . . . . . . . . . . . . . . . . 4.3 2.3 6.3 . . . 25 . H6 . 25 . C6 parsed_2p89 1
32 . . . . . . . . . . . . . . . . 12.2 10.2 14.2 . . . 26 . H8 . 26 . C8 parsed_2p89 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 "Residual dipolar coupling restraints" 2 1 2 39 parsed_2p89 1
stop_
save_
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