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 |
|
|
548463 |
2lr2   |
18126 | cing | 2-parsed | STAR | dipolar coupling | 29 |
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" 0 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_3
_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 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 . . . . . . . . . . . . . . . . -0.06 . . . . . 100 . YB . 34 . HN parsed_2lr2 1
2 . . . . . . . . . . . . . . . . -0.15 . . . . . 100 . YB . 32 . HN parsed_2lr2 1
3 . . . . . . . . . . . . . . . . -0.08 . . . . . 100 . YB . 78 . HN parsed_2lr2 1
4 . . . . . . . . . . . . . . . . -0.23 . . . . . 100 . YB . 42 . HN parsed_2lr2 1
5 . . . . . . . . . . . . . . . . -0.62 . . . . . 100 . YB . 25 . HN parsed_2lr2 1
6 . . . . . . . . . . . . . . . . -0.07 . . . . . 100 . YB . 35 . HN parsed_2lr2 1
7 . . . . . . . . . . . . . . . . -0.53 . . . . . 100 . YB . 24 . HN parsed_2lr2 1
8 . . . . . . . . . . . . . . . . -0.07 . . . . . 100 . YB . 79 . HN parsed_2lr2 1
9 . . . . . . . . . . . . . . . . -0.15 . . . . . 100 . YB . 40 . HN parsed_2lr2 1
10 . . . . . . . . . . . . . . . . -0.08 . . . . . 100 . YB . 37 . HN parsed_2lr2 1
11 . . . . . . . . . . . . . . . . -0.06 . . . . . 100 . YB . 36 . HN parsed_2lr2 1
12 . . . . . . . . . . . . . . . . -0.50 . . . . . 100 . YB . 27 . HN parsed_2lr2 1
13 . . . . . . . . . . . . . . . . -0.24 . . . . . 100 . YB . 41 . HN parsed_2lr2 1
14 . . . . . . . . . . . . . . . . -0.39 . . . . . 100 . YB . 71 . HN parsed_2lr2 1
15 . . . . . . . . . . . . . . . . -0.21 . . . . . 100 . YB . 31 . HN parsed_2lr2 1
16 . . . . . . . . . . . . . . . . -0.14 . . . . . 100 . YB . 34 . N parsed_2lr2 1
17 . . . . . . . . . . . . . . . . -0.21 . . . . . 100 . YB . 32 . N parsed_2lr2 1
18 . . . . . . . . . . . . . . . . -0.39 . . . . . 100 . YB . 42 . N parsed_2lr2 1
19 . . . . . . . . . . . . . . . . -0.64 . . . . . 100 . YB . 25 . N parsed_2lr2 1
20 . . . . . . . . . . . . . . . . -0.11 . . . . . 100 . YB . 35 . N parsed_2lr2 1
21 . . . . . . . . . . . . . . . . -0.52 . . . . . 100 . YB . 24 . N parsed_2lr2 1
22 . . . . . . . . . . . . . . . . -0.15 . . . . . 100 . YB . 79 . N parsed_2lr2 1
23 . . . . . . . . . . . . . . . . -0.20 . . . . . 100 . YB . 40 . N parsed_2lr2 1
24 . . . . . . . . . . . . . . . . -0.13 . . . . . 100 . YB . 37 . N parsed_2lr2 1
25 . . . . . . . . . . . . . . . . -0.13 . . . . . 100 . YB . 36 . N parsed_2lr2 1
26 . . . . . . . . . . . . . . . . -0.63 . . . . . 100 . YB . 27 . N parsed_2lr2 1
27 . . . . . . . . . . . . . . . . -0.29 . . . . . 100 . YB . 41 . N parsed_2lr2 1
28 . . . . . . . . . . . . . . . . -0.39 . . . . . 100 . YB . 71 . N parsed_2lr2 1
29 . . . . . . . . . . . . . . . . -0.25 . . . . . 100 . YB . 31 . 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 43 and name HN ) -1.22 0.05
;
78 1 83 50 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 43 and name N ) -1.11 0.10
;
183 1 188 49 parsed_2lr2 1
stop_
save_
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