NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
544393 |
2lcr   |
17628 | cing | 2-parsed | STAR | dipolar coupling | 29 |
data_2lcr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lcr
_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_2lcr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lcr
_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 2lcr "Master copy" parsed_2lcr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lcr
_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 2lcr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lcr 1
1 2lcr.mr . . XPLOR/CNS 2 distance NOE ambi 1772 parsed_2lcr 1
1 2lcr.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 75 parsed_2lcr 1
1 2lcr.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 29 parsed_2lcr 1
1 2lcr.mr . . XPLOR/CNS 5 distance "disulfide bond" simple 0 parsed_2lcr 1
1 2lcr.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lcr 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2lcr
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . -1.2 . . . . . 10 . N . 10 . HN parsed_2lcr 1
2 . . . . . . . . . . . . . . . . -5.5 . . . . . 11 . N . 11 . HN parsed_2lcr 1
3 . . . . . . . . . . . . . . . . -2.8 . . . . . 12 . N . 12 . HN parsed_2lcr 1
4 . . . . . . . . . . . . . . . . -8.9 . . . . . 14 . N . 14 . HN parsed_2lcr 1
5 . . . . . . . . . . . . . . . . 7.0 . . . . . 19 . N . 19 . HN parsed_2lcr 1
6 . . . . . . . . . . . . . . . . 12.3 . . . . . 20 . N . 20 . HN parsed_2lcr 1
7 . . . . . . . . . . . . . . . . 5.0 . . . . . 26 . N . 26 . HN parsed_2lcr 1
8 . . . . . . . . . . . . . . . . -7.9 . . . . . 29 . N . 29 . HN parsed_2lcr 1
9 . . . . . . . . . . . . . . . . -2.5 . . . . . 30 . N . 30 . HN parsed_2lcr 1
10 . . . . . . . . . . . . . . . . 2.5 . . . . . 31 . N . 31 . HN parsed_2lcr 1
11 . . . . . . . . . . . . . . . . -3.9 . . . . . 32 . N . 32 . HN parsed_2lcr 1
12 . . . . . . . . . . . . . . . . 0.5 . . . . . 35 . N . 35 . HN parsed_2lcr 1
13 . . . . . . . . . . . . . . . . 10.1 . . . . . 37 . N . 37 . HN parsed_2lcr 1
14 . . . . . . . . . . . . . . . . 3.5 . . . . . 44 . N . 44 . HN parsed_2lcr 1
15 . . . . . . . . . . . . . . . . -4.8 . . . . . 61 . N . 61 . HN parsed_2lcr 1
16 . . . . . . . . . . . . . . . . 4.1 . . . . . 62 . N . 62 . HN parsed_2lcr 1
17 . . . . . . . . . . . . . . . . 9.1 . . . . . 63 . N . 63 . HN parsed_2lcr 1
18 . . . . . . . . . . . . . . . . 3.4 . . . . . 67 . N . 67 . HN parsed_2lcr 1
19 . . . . . . . . . . . . . . . . 3.6 . . . . . 68 . N . 68 . HN parsed_2lcr 1
20 . . . . . . . . . . . . . . . . 0.9 . . . . . 69 . N . 69 . HN parsed_2lcr 1
21 . . . . . . . . . . . . . . . . -0.9 . . . . . 72 . N . 72 . HN parsed_2lcr 1
22 . . . . . . . . . . . . . . . . -2.5 . . . . . 73 . N . 73 . HN parsed_2lcr 1
23 . . . . . . . . . . . . . . . . -4.2 . . . . . 75 . N . 75 . HN parsed_2lcr 1
24 . . . . . . . . . . . . . . . . -5.1 . . . . . 80 . N . 80 . HN parsed_2lcr 1
25 . . . . . . . . . . . . . . . . 3.3 . . . . . 88 . N . 88 . HN parsed_2lcr 1
26 . . . . . . . . . . . . . . . . -0.1 . . . . . 90 . N . 90 . HN parsed_2lcr 1
27 . . . . . . . . . . . . . . . . 0.3 . . . . . 95 . N . 95 . HN parsed_2lcr 1
28 . . . . . . . . . . . . . . . . -1.0 . . . . . 97 . N . 97 . HN parsed_2lcr 1
29 . . . . . . . . . . . . . . . . 0.7 . . . . . 98 . N . 98 . HN parsed_2lcr 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
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 7 and name N )
( resid 7 and name HN ) -8.3 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 8 and name N )
( resid 8 and name HN ) -9.0 0.2000
;
1 1 13 50 parsed_2lcr 1
2
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 15 and name N )
( resid 15 and name HN ) 10.4 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 16 and name N )
( resid 16 and name HN ) 7.8 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 17 and name N )
( resid 17 and name HN ) -13.7 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 18 and name N )
( resid 18 and name HN ) -4.7 0.5000
;
43 1 69 50 parsed_2lcr 1
3
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 21 and name N )
( resid 21 and name HN ) -3.3 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 24 and name N )
( resid 24 and name HN ) -21.3 0.2000
;
85 1 97 51 parsed_2lcr 1
4
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 28 and name N )
( resid 28 and name HN ) -12.8 0.2000
;
106 1 111 51 parsed_2lcr 1
5
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 33 and name N )
( resid 33 and name HN ) 14.7 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 34 and name N )
( resid 34 and name HN ) 6.1 0.2000
;
141 1 153 50 parsed_2lcr 1
6
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 38 and name N )
( resid 38 and name HN ) 15.3 0.8000 !! Changed from 0.2 !!!
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 39 and name N )
( resid 39 and name HN ) 5.7 0.8000 !! Changed from 0.2 & 0.5 !!!
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 40 and name N )
( resid 40 and name HN ) 2.7 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 41 and name N )
( resid 41 and name HN ) -2.7 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 42 and name N )
( resid 42 and name HN ) -9.4 0.8000 !!!changed from 0.2!!!
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 43 and name N )
( resid 43 and name HN ) -0.4 0.2000
;
169 1 209 50 parsed_2lcr 1
7
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 48 and name N )
( resid 48 and name HN ) 6.4 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 49 and name N )
( resid 49 and name HN ) 11.3 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 51 and name N )
( resid 51 and name HN ) 2.9 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 52 and name N )
( resid 52 and name HN ) 10.3 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 53 and name N )
( resid 53 and name HN ) 8.2 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 58 and name N )
( resid 58 and name HN ) -17.1 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 59 and name N )
( resid 59 and name HN ) -23.8 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 60 and name N )
( resid 60 and name HN ) -13.4 0.5000
;
218 1 272 51 parsed_2lcr 1
8
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 65 and name N )
( resid 65 and name HN ) -2.4 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 66 and name N )
( resid 66 and name HN ) 0.6 0.2000
;
295 1 307 50 parsed_2lcr 1
9
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 71 and name N )
( resid 71 and name HN ) 13.5 0.2000
;
330 1 335 50 parsed_2lcr 1
10
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 76 and name N )
( resid 76 and name HN ) 9.4 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 77 and name N )
( resid 77 and name HN ) -15.1 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 78 and name N )
( resid 78 and name HN ) -15.2 0.2000
;
358 1 377 51 parsed_2lcr 1
11
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 82 and name N )
( resid 82 and name HN ) -17.2 0.5000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 84 and name N )
( resid 84 and name HN ) 3.9 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 85 and name N )
( resid 85 and name HN ) 7.2 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 86 and name N )
( resid 86 and name HN ) 1.7 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 87 and name N )
( resid 87 and name HN ) -1.9 0.2000
;
386 1 419 50 parsed_2lcr 1
12
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 89 and name N )
( resid 89 and name HN ) 3.0 0.2000
;
428 1 433 50 parsed_2lcr 1
13
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 93 and name N )
( resid 93 and name HN ) -7.9 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 94 and name N )
( resid 94 and name HN ) -1.3 0.2000
;
442 1 454 50 parsed_2lcr 1
14
;
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 99 and name N )
( resid 99 and name HN ) 2.0 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 100 and name N )
( resid 100 and name HN ) -1.1 0.2000
assign ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 101 and name N )
( resid 101 and name HN ) 4.9 0.2000
;
477 1 497 2 parsed_2lcr 1
stop_
save_
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