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 |
|
|
39111 |
1snj   |
cing | 2-parsed | STAR | dipolar coupling | 46 |
data_1snj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1snj
_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_1snj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1snj
_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 1snj "Master copy" parsed_1snj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1snj
_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 1snj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1snj 1
1 1snj.mr . . XPLOR/CNS 2 distance "general distance" simple 42 parsed_1snj 1
1 1snj.mr . . XPLOR/CNS 3 distance NOE simple 509 parsed_1snj 1
1 1snj.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1snj 1
1 1snj.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_1snj 1
1 1snj.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1snj 1
1 1snj.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 380 parsed_1snj 1
1 1snj.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 46 parsed_1snj 1
1 1snj.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1snj 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_8
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1snj
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . -15.46 . . . . TW11 10 . C1' TW11 10 . H1' parsed_1snj 1
2 . . . . . . . . . . . . . . . . 22.85 . . . . TW11 11 . C1' TW11 11 . H1' parsed_1snj 1
3 . . . . . . . . . . . . . . . . -1.02 . . . . TW11 14 . C1' TW11 14 . H1' parsed_1snj 1
4 . . . . . . . . . . . . . . . . 8.60 . . . . TW11 15 . C1' TW11 15 . H1' parsed_1snj 1
5 . . . . . . . . . . . . . . . . 3.73 . . . . TW11 16 . C1' TW11 16 . H1' parsed_1snj 1
6 . . . . . . . . . . . . . . . . 13.71 . . . . TW11 1 . C1' TW11 1 . H1' parsed_1snj 1
7 . . . . . . . . . . . . . . . . 5.11 . . . . TW11 2 . C1' TW11 2 . H1' parsed_1snj 1
8 . . . . . . . . . . . . . . . . -21.19 . . . . TW11 31 . C1' TW11 31 . H1' parsed_1snj 1
9 . . . . . . . . . . . . . . . . -7.17 . . . . TW11 32 . C1' TW11 32 . H1' parsed_1snj 1
10 . . . . . . . . . . . . . . . . 8.29 . . . . TW11 33 . C1' TW11 33 . H1' parsed_1snj 1
11 . . . . . . . . . . . . . . . . 22.37 . . . . TW11 34 . C1' TW11 34 . H1' parsed_1snj 1
12 . . . . . . . . . . . . . . . . 7.46 . . . . TW11 35 . C1' TW11 35 . H1' parsed_1snj 1
13 . . . . . . . . . . . . . . . . 5.85 . . . . TW11 36 . C1' TW11 36 . H1' parsed_1snj 1
14 . . . . . . . . . . . . . . . . -6.01 . . . . TW11 3 . C1' TW11 3 . H1' parsed_1snj 1
15 . . . . . . . . . . . . . . . . -10.10 . . . . TW11 4 . C1' TW11 4 . H1' parsed_1snj 1
16 . . . . . . . . . . . . . . . . 6.97 . . . . TW11 5 . C1' TW11 5 . H1' parsed_1snj 1
17 . . . . . . . . . . . . . . . . 16.98 . . . . TW11 6 . C1' TW11 6 . H1' parsed_1snj 1
18 . . . . . . . . . . . . . . . . -2.84 . . . . TW11 9 . C1' TW11 9 . H1' parsed_1snj 1
19 . . . . . . . . . . . . . . . . 5.59 . . . . TW11 19 . C1' TW11 19 . H1' parsed_1snj 1
20 . . . . . . . . . . . . . . . . -3.55 . . . . TW11 20 . C1' TW11 20 . H1' parsed_1snj 1
21 . . . . . . . . . . . . . . . . 13.79 . . . . TW11 21 . C1' TW11 21 . H1' parsed_1snj 1
22 . . . . . . . . . . . . . . . . -14.32 . . . . TW11 24 . C1' TW11 24 . H1' parsed_1snj 1
23 . . . . . . . . . . . . . . . . 9.11 . . . . TW11 25 . C1' TW11 25 . H1' parsed_1snj 1
24 . . . . . . . . . . . . . . . . 14.35 . . . . TW11 26 . C1' TW11 26 . H1' parsed_1snj 1
25 . . . . . . . . . . . . . . . . -13.05 . . . . TW11 15 . C5 TW11 15 . H5 parsed_1snj 1
26 . . . . . . . . . . . . . . . . 11.24 . . . . TW11 16 . C5 TW11 16 . H5 parsed_1snj 1
27 . . . . . . . . . . . . . . . . 18.34 . . . . TW11 10 . C8 TW11 10 . H8 parsed_1snj 1
28 . . . . . . . . . . . . . . . . 30.00 . . . . TW11 11 . C6 TW11 11 . H6 parsed_1snj 1
29 . . . . . . . . . . . . . . . . -9.26 . . . . TW11 1 . C6 TW11 1 . H6 parsed_1snj 1
30 . . . . . . . . . . . . . . . . -15.45 . . . . TW11 2 . C8 TW11 2 . H8 parsed_1snj 1
31 . . . . . . . . . . . . . . . . 4.63 . . . . TW11 31 . C6 TW11 31 . H6 parsed_1snj 1
32 . . . . . . . . . . . . . . . . 8.36 . . . . TW11 32 . C8 TW11 32 . H8 parsed_1snj 1
33 . . . . . . . . . . . . . . . . 15.93 . . . . TW11 33 . C6 TW11 33 . H6 parsed_1snj 1
34 . . . . . . . . . . . . . . . . -1.74 . . . . TW11 34 . C8 TW11 34 . H8 parsed_1snj 1
35 . . . . . . . . . . . . . . . . -20.59 . . . . TW11 35 . C6 TW11 35 . H6 parsed_1snj 1
36 . . . . . . . . . . . . . . . . -2.52 . . . . TW11 36 . C8 TW11 36 . H8 parsed_1snj 1
37 . . . . . . . . . . . . . . . . -18.16 . . . . TW11 3 . C6 TW11 3 . H6 parsed_1snj 1
38 . . . . . . . . . . . . . . . . -5.815 . . . . TW11 4 . C8 TW11 4 . H8 parsed_1snj 1
39 . . . . . . . . . . . . . . . . 33.01 . . . . TW11 5 . C6 TW11 5 . H6 parsed_1snj 1
40 . . . . . . . . . . . . . . . . 17.74 . . . . TW11 6 . C8 TW11 6 . H8 parsed_1snj 1
41 . . . . . . . . . . . . . . . . 16.67 . . . . TW11 9 . C8 TW11 9 . H8 parsed_1snj 1
42 . . . . . . . . . . . . . . . . 2.90 . . . . TW11 19 . C6 TW11 19 . H6 parsed_1snj 1
43 . . . . . . . . . . . . . . . . 12.27 . . . . TW11 20 . C8 TW11 20 . H8 parsed_1snj 1
44 . . . . . . . . . . . . . . . . 37.03 . . . . TW11 21 . C6 TW11 21 . H6 parsed_1snj 1
45 . . . . . . . . . . . . . . . . 24.05 . . . . TW11 25 . C6 TW11 25 . H6 parsed_1snj 1
46 . . . . . . . . . . . . . . . . 21.77 . . . . TW11 26 . C8 TW11 26 . H8 parsed_1snj 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 constraints for twj11" 2 1 2 1 parsed_1snj 1
stop_
save_
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