NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
519524 |
2ldt   |
17682 | cing | 2-parsed | STAR | dipolar coupling | 24 |
data_2ldt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ldt
_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_2ldt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ldt
_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 2ldt "Master copy" parsed_2ldt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ldt
_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 2ldt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 61 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 3 planarity "Not applicable" "Not applicable" 0 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 4 protocol "structure calculation" "Not applicable" 0 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 147 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 31 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 79 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 24 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 9 distance "hydrogen bond" simple 0 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 10 distance NOE simple 0 parsed_2ldt 1
1 2ldt.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ldt 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_8
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2ldt
_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 . . . . . . . . . . . . . . . . 34.4670 . . . . . 30 . C5 . 30 . H5 parsed_2ldt 1
2 . . . . . . . . . . . . . . . . 24.9900 . . . . . 2 . C8 . 2 . H8 parsed_2ldt 1
3 . . . . . . . . . . . . . . . . 29.7880 . . . . . 6 . C8 . 6 . H8 parsed_2ldt 1
4 . . . . . . . . . . . . . . . . 23.3290 . . . . . 26 . C6 . 26 . H6 parsed_2ldt 1
5 . . . . . . . . . . . . . . . . 27.8380 . . . . . 5 . C2 . 5 . H2 parsed_2ldt 1
6 . . . . . . . . . . . . . . . . 16.4510 . . . . . 26 . C5 . 26 . H5 parsed_2ldt 1
7 . . . . . . . . . . . . . . . . 24.1700 . . . . . 27 . C5 . 27 . H5 parsed_2ldt 1
8 . . . . . . . . . . . . . . . . 31.6340 . . . . . 29 . C5 . 29 . H5 parsed_2ldt 1
9 . . . . . . . . . . . . . . . . 17.1030 . . . . . 31 . C5 . 31 . H5 parsed_2ldt 1
10 . . . . . . . . . . . . . . . . 20.9680 . . . . . 1 . C8 . 1 . H8 parsed_2ldt 1
11 . . . . . . . . . . . . . . . . 33.7680 . . . . . 3 . C8 . 3 . H8 parsed_2ldt 1
12 . . . . . . . . . . . . . . . . 34.9900 . . . . . 5 . C8 . 5 . H8 parsed_2ldt 1
13 . . . . . . . . . . . . . . . . 33.4690 . . . . . 27 . C6 . 27 . H6 parsed_2ldt 1
14 . . . . . . . . . . . . . . . . 29.1260 . . . . . 28 . C6 . 28 . H6 parsed_2ldt 1
15 . . . . . . . . . . . . . . . . 29.3090 . . . . . 29 . C6 . 29 . H6 parsed_2ldt 1
16 . . . . . . . . . . . . . . . . 26.0230 . . . . . 30 . C6 . 30 . H6 parsed_2ldt 1
17 . . . . . . . . . . . . . . . . 19.2630 . . . . . 31 . C6 . 31 . H6 parsed_2ldt 1
18 . . . . . . . . . . . . . . . . 29.0770 . . . . . 13 . C5 . 13 . H5 parsed_2ldt 1
19 . . . . . . . . . . . . . . . . 26.5430 . . . . . 12 . C5 . 12 . H5 parsed_2ldt 1
20 . . . . . . . . . . . . . . . . 24.1450 . . . . . 20 . C5 . 20 . H5 parsed_2ldt 1
21 . . . . . . . . . . . . . . . . 24.8400 . . . . . 21 . C5 . 21 . H5 parsed_2ldt 1
22 . . . . . . . . . . . . . . . . 32.1150 . . . . . 10 . C8 . 10 . H8 parsed_2ldt 1
23 . . . . . . . . . . . . . . . . 27.5070 . . . . . 11 . C8 . 11 . H8 parsed_2ldt 1
24 . . . . . . . . . . . . . . . . 28.0210 . . . . . 18 . C8 . 18 . H8 parsed_2ldt 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
;
Meredith's 888 dip_70_888.tbl
modified from dip2rand.nawk Table; Output File: dip_70.tbl
FractRand: 0.70; NO-Overlap
SEED: 54001124
Mean ABS(Measure): 13.4789 Mean SumSquare: 225.0152 Count: 71
Date: Mon Jun 24 11:00:54 EDT 2002
Path: /net/octave1/clore/RNA_THEO/PAIRS/TEST
;
30 1 37 2 parsed_2ldt 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 8 and name C2 )
( resid 8 and name H2 ) 28.7350 0.6000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 9 and name C5 )
( resid 9 and name H5 ) -1.9660 0.6000
;
47 1 59 53 parsed_2ldt 1
3
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 7 and name C6 )
( resid 7 and name H6 ) 21.5770 0.6000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 9 and name C6 )
( resid 9 and name H6 ) 21.2310 0.6000
;
111 1 123 53 parsed_2ldt 1
4
;
Meredith's 888 dip_70_888.tbl
modified from dip2rand.nawk Table; Output File: dip_70.tbl
FractRand: 0.70; NO-Overlap
SEED: 54001124
Mean ABS(Measure): 13.4789 Mean SumSquare: 225.0152 Count: 71
Date: Mon Jun 24 11:00:54 EDT 2002
Path: /net/octave1/clore/RNA_THEO/PAIRS/TEST
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 17 and name C1' )
( resid 17 and name H1' ) -5.1010 0.6000
;
162 1 176 53 parsed_2ldt 1
5
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 22 and name C1' )
( resid 22 and name H1' ) -26.3220 0.6000
;
185 1 190 53 parsed_2ldt 1
6
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 16 and name C2 )
( resid 16 and name H2 ) 16.5860 0.6000
;
200 1 205 53 parsed_2ldt 1
7
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 22 and name C2 )
( resid 22 and name H2 ) 20.2240 0.6000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 23 and name C2 )
( resid 23 and name H2 ) 23.2080 0.6000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 25 and name C2 )
( resid 25 and name H2 ) 34.4070 0.6000
;
221 1 240 53 parsed_2ldt 1
8
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name C6 )
( resid 15 and name H6 ) 9.0380 0.6000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 16 and name C8 )
( resid 16 and name H8 ) 21.3550 0.6000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 17 and name C8 )
( resid 17 and name H8 ) 20.9640 0.6000
;
258 1 277 53 parsed_2ldt 1
9
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 22 and name C8 )
( resid 22 and name H8 ) 24.4010 0.6000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 23 and name C8 )
( resid 23 and name H8 ) 29.4920 0.6000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 24 and name C8 )
( resid 24 and name H8 ) 16.7370 0.6000
;
286 1 305 53 parsed_2ldt 1
stop_
save_
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