NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
643153 |
6pf0   |
30616 | cing | 2-parsed | STAR | dipolar coupling | 20 |
data_6pf0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6pf0
_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_6pf0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6pf0
_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 6pf0 "Master copy" parsed_6pf0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6pf0
_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 6pf0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6pf0 1
1 6pf0.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 40 parsed_6pf0 1
1 6pf0.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 20 parsed_6pf0 1
1 6pf0.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6pf0 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6pf0
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . -8.81 . . . . . 3 . N . 3 . HN parsed_6pf0 1
2 . . . . . . . . . . . . . . . . -7.2 . . . . . 4 . N . 4 . HN parsed_6pf0 1
3 . . . . . . . . . . . . . . . . -10.9 . . . . . 5 . N . 5 . HN parsed_6pf0 1
4 . . . . . . . . . . . . . . . . -9.45 . . . . . 6 . N . 6 . HN parsed_6pf0 1
5 . . . . . . . . . . . . . . . . -9.5 . . . . . 7 . N . 7 . HN parsed_6pf0 1
6 . . . . . . . . . . . . . . . . -6.8 . . . . . 8 . N . 8 . HN parsed_6pf0 1
7 . . . . . . . . . . . . . . . . -9.44 . . . . . 9 . N . 9 . HN parsed_6pf0 1
8 . . . . . . . . . . . . . . . . -9.45 . . . . . 10 . N . 10 . HN parsed_6pf0 1
9 . . . . . . . . . . . . . . . . -9.4 . . . . . 11 . N . 11 . HN parsed_6pf0 1
10 . . . . . . . . . . . . . . . . -7.99 . . . . . 12 . N . 12 . HN parsed_6pf0 1
11 . . . . . . . . . . . . . . . . -9.75 . . . . . 13 . N . 13 . HN parsed_6pf0 1
12 . . . . . . . . . . . . . . . . -10.38 . . . . . 14 . N . 14 . HN parsed_6pf0 1
13 . . . . . . . . . . . . . . . . -5.4 . . . . . 15 . N . 15 . HN parsed_6pf0 1
14 . . . . . . . . . . . . . . . . -8.29 . . . . . 16 . N . 16 . HN parsed_6pf0 1
15 . . . . . . . . . . . . . . . . -11.0 . . . . . 17 . N . 17 . HN parsed_6pf0 1
16 . . . . . . . . . . . . . . . . -9.6 . . . . . 18 . N . 18 . HN parsed_6pf0 1
17 . . . . . . . . . . . . . . . . -4.64 . . . . . 19 . N . 19 . HN parsed_6pf0 1
18 . . . . . . . . . . . . . . . . -9.66 . . . . . 20 . N . 20 . HN parsed_6pf0 1
19 . . . . . . . . . . . . . . . . -10.35 . . . . . 21 . N . 21 . HN parsed_6pf0 1
20 . . . . . . . . . . . . . . . . 3.07 . . . . . 22 . N . 22 . HN parsed_6pf0 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 "! H" 172 1 172 8 parsed_6pf0 1
2 "! H" 179 1 179 8 parsed_6pf0 1
3 "! I" 186 1 186 8 parsed_6pf0 1
4 "! F" 193 1 193 8 parsed_6pf0 1
5 "! R" 200 1 200 8 parsed_6pf0 1
6 "! G" 207 1 207 8 parsed_6pf0 1
7 "! I" 214 1 214 8 parsed_6pf0 1
8 "! V" 221 1 221 8 parsed_6pf0 1
9 "! H" 228 1 228 8 parsed_6pf0 1
10 "! V" 235 1 235 8 parsed_6pf0 1
11 "! G" 242 1 242 8 parsed_6pf0 1
12 "! K" 249 1 249 8 parsed_6pf0 1
13 "! T" 256 1 256 8 parsed_6pf0 1
14 "! I" 263 1 263 8 parsed_6pf0 1
15 "! H" 270 1 270 8 parsed_6pf0 1
16 "! R" 277 1 277 8 parsed_6pf0 1
17 "! L" 284 1 284 8 parsed_6pf0 1
18 "! V" 291 1 291 8 parsed_6pf0 1
19 "! T" 298 1 298 8 parsed_6pf0 1
20 "! G" 305 1 305 8 parsed_6pf0 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 "# Restraints file 2: P1_31_csa.tbl" 1 1 1 34 parsed_6pf0 1
2
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 1 and name C )
(resid 2 and name N )
(resid 2 and name HN ) -41 5 5
;
3 1 9 40 parsed_6pf0 1
3
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 2 and name C )
(resid 3 and name N )
(resid 3 and name HN ) -45.3 5 5
;
11 1 17 42 parsed_6pf0 1
4
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 3 and name C )
(resid 4 and name N )
(resid 4 and name HN ) -29.3 5 5
;
19 1 25 42 parsed_6pf0 1
5
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 4 and name C )
(resid 5 and name N )
(resid 5 and name HN ) -49.7 5 5
;
27 1 33 42 parsed_6pf0 1
6
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 5 and name C )
(resid 6 and name N )
(resid 6 and name HN ) -29.3 5 5
;
35 1 41 42 parsed_6pf0 1
7
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 6 and name C )
(resid 7 and name N )
(resid 7 and name HN ) -39.1 5 5
;
43 1 49 42 parsed_6pf0 1
8
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 8 and name C )
(resid 9 and name N )
(resid 9 and name HN ) -37.7 5 5
;
51 1 57 42 parsed_6pf0 1
9
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 9 and name C )
(resid 10 and name N )
(resid 10 and name HN ) -40.7 5 5
;
59 1 65 43 parsed_6pf0 1
10
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 10 and name C )
(resid 11 and name N )
(resid 11 and name HN ) -25.0 5 5
;
67 1 73 43 parsed_6pf0 1
11
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 11 and name C )
(resid 12 and name N )
(resid 12 and name HN ) -45.4 5 5
;
75 1 81 43 parsed_6pf0 1
12
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 13 and name C )
(resid 14 and name N )
(resid 14 and name HN ) -40.9 5 5
;
83 1 89 43 parsed_6pf0 1
13
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 14 and name C )
(resid 15 and name N )
(resid 15 and name HN ) -21.6 5 5
;
91 1 97 43 parsed_6pf0 1
14
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 15 and name C )
(resid 16 and name N )
(resid 16 and name HN ) -52.7 5 5
;
99 1 105 43 parsed_6pf0 1
15
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 16 and name C )
(resid 17 and name N )
(resid 17 and name HN ) -31.5 5 5
;
107 1 113 43 parsed_6pf0 1
16
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 17 and name C )
(resid 18 and name N )
(resid 18 and name HN ) -28.45 5 5
;
115 1 121 44 parsed_6pf0 1
17
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 18 and name C )
(resid 19 and name N )
(resid 19 and name HN ) -38.3 5 5
;
123 1 129 43 parsed_6pf0 1
18
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 19 and name C )
(resid 20 and name N )
(resid 20 and name HN ) -49.6 5 5
;
131 1 137 43 parsed_6pf0 1
19
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 20 and name C )
(resid 21 and name N )
(resid 21 and name HN ) -43.1 5 5
# Restraints file 3: P1_31_csaG.tbl
;
139 1 146 35 parsed_6pf0 1
20
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 7 and name C )
(resid 8 and name N )
(resid 8 and name HN ) -35.04 5 5
;
148 1 154 43 parsed_6pf0 1
21
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 12 and name C )
(resid 13 and name N )
(resid 13 and name HN ) -41.7 5 5
;
156 1 162 43 parsed_6pf0 1
22
;
assign (resid 600 and name OO )
(resid 600 and name Z )
(resid 600 and name X )
(resid 600 and name Y )
(resid 21 and name C )
(resid 22 and name N )
(resid 22 and name HN ) 58.5 5 5
# Restraints file 4: P1_31_nh.tbl
;
164 1 171 33 parsed_6pf0 1
stop_
save_
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