NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
548464 |
2lr2   |
18126 | cing | 2-parsed | STAR | dipolar coupling | 28 |
data_2lr2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lr2
_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_2lr2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lr2
_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 2lr2 "Master copy" parsed_2lr2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lr2
_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 2lr2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lr2 1
1 2lr2.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 114 parsed_2lr2 1
1 2lr2.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 29 parsed_2lr2 1
1 2lr2.mr . . XPLOR/CNS 4 unknown "Not applicable" "Not applicable" 0 parsed_2lr2 1
1 2lr2.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 28 parsed_2lr2 1
1 2lr2.mr . . XPLOR/CNS 6 unknown "Not applicable" "Not applicable" 0 parsed_2lr2 1
1 2lr2.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lr2 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2lr2
_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 . . . . . . . . . . . . . . . . -0.28 . . . . . 100 . YB . 68 . HN parsed_2lr2 1
2 . . . . . . . . . . . . . . . . -0.27 . . . . . 100 . YB . 68 . N parsed_2lr2 1
3 . . . . . . . . . . . . . . . . 0.09 . . . . . 100 . YB . 43 . HN parsed_2lr2 1
4 . . . . . . . . . . . . . . . . 0.08 . . . . . 100 . YB . 27 . HN parsed_2lr2 1
5 . . . . . . . . . . . . . . . . 0.32 . . . . . 100 . YB . 19 . HN parsed_2lr2 1
6 . . . . . . . . . . . . . . . . 0.25 . . . . . 100 . YB . 19 . N parsed_2lr2 1
7 . . . . . . . . . . . . . . . . 0.25 . . . . . 100 . YB . 70 . HN parsed_2lr2 1
8 . . . . . . . . . . . . . . . . 0.08 . . . . . 100 . YB . 42 . HN parsed_2lr2 1
9 . . . . . . . . . . . . . . . . 0.10 . . . . . 100 . YB . 25 . HN parsed_2lr2 1
10 . . . . . . . . . . . . . . . . 0.10 . . . . . 100 . YB . 74 . HN parsed_2lr2 1
11 . . . . . . . . . . . . . . . . 0.07 . . . . . 100 . YB . 41 . HN parsed_2lr2 1
12 . . . . . . . . . . . . . . . . 0.25 . . . . . 100 . YB . 46 . HN parsed_2lr2 1
13 . . . . . . . . . . . . . . . . 0.20 . . . . . 100 . YB . 71 . HN parsed_2lr2 1
14 . . . . . . . . . . . . . . . . 0.66 . . . . . 100 . YB . 50 . HN parsed_2lr2 1
15 . . . . . . . . . . . . . . . . 0.45 . . . . . 100 . YB . 55 . HN parsed_2lr2 1
16 . . . . . . . . . . . . . . . . 0.25 . . . . . 100 . YB . 18 . HN parsed_2lr2 1
17 . . . . . . . . . . . . . . . . 0.09 . . . . . 100 . YB . 21 . HN parsed_2lr2 1
18 . . . . . . . . . . . . . . . . 0.19 . . . . . 100 . YB . 22 . HN parsed_2lr2 1
19 . . . . . . . . . . . . . . . . 0.15 . . . . . 100 . YB . 26 . HN parsed_2lr2 1
20 . . . . . . . . . . . . . . . . 0.20 . . . . . 100 . YB . 70 . N parsed_2lr2 1
21 . . . . . . . . . . . . . . . . 0.12 . . . . . 100 . YB . 74 . N parsed_2lr2 1
22 . . . . . . . . . . . . . . . . 0.27 . . . . . 100 . YB . 46 . N parsed_2lr2 1
23 . . . . . . . . . . . . . . . . 0.13 . . . . . 100 . YB . 71 . N parsed_2lr2 1
24 . . . . . . . . . . . . . . . . 0.67 . . . . . 100 . YB . 50 . N parsed_2lr2 1
25 . . . . . . . . . . . . . . . . 0.43 . . . . . 100 . YB . 55 . N parsed_2lr2 1
26 . . . . . . . . . . . . . . . . 0.27 . . . . . 100 . YB . 18 . N parsed_2lr2 1
27 . . . . . . . . . . . . . . . . 0.15 . . . . . 100 . YB . 22 . N parsed_2lr2 1
28 . . . . . . . . . . . . . . . . 0.11 . . . . . 100 . YB . 26 . N parsed_2lr2 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
;
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 59 and name HN ) -1.05 0.05
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 59 and name N ) -1.18 0.10
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 56 and name HN ) 0.59 0.05
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 56 and name N ) 0.59 0.10
;
15 1 41 48 parsed_2lr2 1
2
;
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 47 and name HN ) 0.28 0.05
;
85 1 90 49 parsed_2lr2 1
3
;
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 15 and name HN ) 0.14 0.05
;
99 1 104 49 parsed_2lr2 1
4
;
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 52 and name HN ) 2.38 0.05
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 17 and name HN ) 0.25 0.05
;
141 1 153 49 parsed_2lr2 1
5
;
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 16 and name HN ) 0.18 0.05
;
169 1 174 49 parsed_2lr2 1
6
;
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 14 and name HN ) 0.13 0.05
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 57 and name HN ) -1.55 0.05
;
197 1 209 50 parsed_2lr2 1
7
;
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 47 and name N ) 0.27 0.10
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 15 and name N ) 0.10 0.10
;
218 1 230 48 parsed_2lr2 1
8
;
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 52 and name N ) 2.28 0.10
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 17 and name N ) 0.19 0.10
;
260 1 272 48 parsed_2lr2 1
9
;
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 16 and name N ) 0.17 0.10
;
288 1 293 48 parsed_2lr2 1
10
;
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 14 and name N ) 0.10 0.10
#assign ( resid 600 and name OO )
# ( resid 600 and name Z )
# ( resid 600 and name X )
# ( resid 600 and name Y )
# ( resid 100 and name YB )
# ( resid 57 and name N ) -1.54 0.10
;
309 1 321 49 parsed_2lr2 1
stop_
save_
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