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 |
|
|
52359 |
2kgg   |
16209 | cing | 2-parsed | STAR | dipolar coupling | 43 |
data_2kgg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kgg
_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_2kgg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kgg
_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 2kgg "Master copy" parsed_2kgg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kgg
_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 2kgg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kgg 1
1 2kgg.mr . . XPLOR/CNS 2 distance NOE simple 780 parsed_2kgg 1
1 2kgg.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 12 parsed_2kgg 1
1 2kgg.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 53 parsed_2kgg 1
1 2kgg.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2kgg 1
1 2kgg.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kgg 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kgg
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . -0.22 . . . . . 3 . N . 3 . HN parsed_2kgg 1
2 . . . . . . . . . . . . . . . . -5.89 . . . . . 4 . N . 4 . HN parsed_2kgg 1
3 . . . . . . . . . . . . . . . . -2.67 . . . . . 5 . N . 5 . HN parsed_2kgg 1
4 . . . . . . . . . . . . . . . . 11.22 . . . . . 6 . N . 6 . HN parsed_2kgg 1
5 . . . . . . . . . . . . . . . . 5.060 . . . . . 7 . N . 7 . HN parsed_2kgg 1
6 . . . . . . . . . . . . . . . . -8.29 . . . . . 8 . N . 8 . HN parsed_2kgg 1
7 . . . . . . . . . . . . . . . . 6.049 . . . . . 9 . N . 9 . HN parsed_2kgg 1
8 . . . . . . . . . . . . . . . . 4.330 . . . . . 10 . N . 10 . HN parsed_2kgg 1
9 . . . . . . . . . . . . . . . . 1.870 . . . . . 15 . N . 15 . HN parsed_2kgg 1
10 . . . . . . . . . . . . . . . . -8.02 . . . . . 17 . N . 17 . HN parsed_2kgg 1
11 . . . . . . . . . . . . . . . . -4.76 . . . . . 19 . N . 19 . HN parsed_2kgg 1
12 . . . . . . . . . . . . . . . . -6.13 . . . . . 20 . N . 20 . HN parsed_2kgg 1
13 . . . . . . . . . . . . . . . . 2.380 . . . . . 21 . N . 21 . HN parsed_2kgg 1
14 . . . . . . . . . . . . . . . . -5.53 . . . . . 22 . N . 22 . HN parsed_2kgg 1
15 . . . . . . . . . . . . . . . . 13.0 . . . . . 23 . N . 23 . HN parsed_2kgg 1
16 . . . . . . . . . . . . . . . . -2.74 . . . . . 24 . N . 24 . HN parsed_2kgg 1
17 . . . . . . . . . . . . . . . . -4.75 . . . . . 25 . N . 25 . HN parsed_2kgg 1
18 . . . . . . . . . . . . . . . . 7.680 . . . . . 26 . N . 26 . HN parsed_2kgg 1
19 . . . . . . . . . . . . . . . . 3.170 . . . . . 27 . N . 27 . HN parsed_2kgg 1
20 . . . . . . . . . . . . . . . . -1.36 . . . . . 28 . N . 28 . HN parsed_2kgg 1
21 . . . . . . . . . . . . . . . . 1.780 . . . . . 29 . N . 29 . HN parsed_2kgg 1
22 . . . . . . . . . . . . . . . . -8.38 . . . . . 30 . N . 30 . HN parsed_2kgg 1
23 . . . . . . . . . . . . . . . . -1.90 . . . . . 31 . N . 31 . HN parsed_2kgg 1
24 . . . . . . . . . . . . . . . . 3.079 . . . . . 32 . N . 32 . HN parsed_2kgg 1
25 . . . . . . . . . . . . . . . . -2.98 . . . . . 33 . N . 33 . HN parsed_2kgg 1
26 . . . . . . . . . . . . . . . . -6.81 . . . . . 34 . N . 34 . HN parsed_2kgg 1
27 . . . . . . . . . . . . . . . . 16.06 . . . . . 35 . N . 35 . HN parsed_2kgg 1
28 . . . . . . . . . . . . . . . . 6.239 . . . . . 36 . N . 36 . HN parsed_2kgg 1
29 . . . . . . . . . . . . . . . . 13.35 . . . . . 37 . N . 37 . HN parsed_2kgg 1
30 . . . . . . . . . . . . . . . . 0.989 . . . . . 39 . N . 39 . HN parsed_2kgg 1
31 . . . . . . . . . . . . . . . . 8.440 . . . . . 40 . N . 40 . HN parsed_2kgg 1
32 . . . . . . . . . . . . . . . . 6.079 . . . . . 41 . N . 41 . HN parsed_2kgg 1
33 . . . . . . . . . . . . . . . . 4.609 . . . . . 42 . N . 42 . HN parsed_2kgg 1
34 . . . . . . . . . . . . . . . . 1.979 . . . . . 43 . N . 43 . HN parsed_2kgg 1
35 . . . . . . . . . . . . . . . . 12.28 . . . . . 44 . N . 44 . HN parsed_2kgg 1
36 . . . . . . . . . . . . . . . . 9.239 . . . . . 45 . N . 45 . HN parsed_2kgg 1
37 . . . . . . . . . . . . . . . . -1.85 . . . . . 46 . N . 46 . HN parsed_2kgg 1
38 . . . . . . . . . . . . . . . . -4.73 . . . . . 47 . N . 47 . HN parsed_2kgg 1
39 . . . . . . . . . . . . . . . . -3.21 . . . . . 48 . N . 48 . HN parsed_2kgg 1
40 . . . . . . . . . . . . . . . . 5.259 . . . . . 49 . N . 49 . HN parsed_2kgg 1
41 . . . . . . . . . . . . . . . . -0.21 . . . . . 50 . N . 50 . HN parsed_2kgg 1
42 . . . . . . . . . . . . . . . . 0.009 . . . . . 51 . N . 51 . HN parsed_2kgg 1
43 . . . . . . . . . . . . . . . . 13.43 . . . . . 52 . N . 52 . HN parsed_2kgg 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 "following are RDC restraints" 1 1 1 31 parsed_2kgg 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 18 and name N )
( resid 18 and name HN ) 5.999 1.0
;
73 1 73 1 parsed_2kgg 1
stop_
save_
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