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 |
|
|
532263 |
2lkr   |
17961 | cing | 2-parsed | STAR | dipolar coupling | 17 |
data_2lkr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lkr
_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_2lkr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lkr
_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 2lkr "Master copy" parsed_2lkr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lkr
_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 2lkr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lkr 1
1 2lkr.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 368 parsed_2lkr 1
1 2lkr.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 160 parsed_2lkr 1
1 2lkr.mr . . XPLOR/CNS 4 distance NOE simple 831 parsed_2lkr 1
1 2lkr.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_2lkr 1
1 2lkr.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 17 parsed_2lkr 1
1 2lkr.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 0 parsed_2lkr 1
1 2lkr.mr . . XPLOR/CNS 8 distance "general distance" simple 0 parsed_2lkr 1
1 2lkr.mr . . XPLOR/CNS 9 distance "general distance" simple 0 parsed_2lkr 1
1 2lkr.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lkr 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2lkr
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . -0.6100 -1.8100 0.5900 . . . 24 . N3 . 24 . H3 parsed_2lkr 1
2 . . . . . . . . . . . . . . . . -4.0950 -5.2950 -2.8950 . . . 25 . N3 . 25 . H3 parsed_2lkr 1
3 . . . . . . . . . . . . . . . . 21.8050 20.6050 23.0050 . . . 37 . N1 . 37 . H1 parsed_2lkr 1
4 . . . . . . . . . . . . . . . . 5.0150 3.8150 6.2150 . . . 41 . N1 . 41 . H1 parsed_2lkr 1
5 . . . . . . . . . . . . . . . . 17.4300 16.2300 18.6300 . . . 56 . N1 . 56 . H1 parsed_2lkr 1
6 . . . . . . . . . . . . . . . . 13.4900 12.2900 14.6900 . . . 58 . N1 . 58 . H1 parsed_2lkr 1
7 . . . . . . . . . . . . . . . . -4.5150 -5.7150 -3.3150 . . . 60 . N3 . 60 . H3 parsed_2lkr 1
8 . . . . . . . . . . . . . . . . 4.3950 3.1950 5.5950 . . . 61 . N3 . 61 . H3 parsed_2lkr 1
9 . . . . . . . . . . . . . . . . 2.7150 1.5150 3.9150 . . . 62 . N3 . 62 . H3 parsed_2lkr 1
10 . . . . . . . . . . . . . . . . 5.5150 4.3150 6.7150 . . . 67 . N1 . 67 . H1 parsed_2lkr 1
11 . . . . . . . . . . . . . . . . 5.7550 4.5550 6.9550 . . . 68 . N1 . 68 . H1 parsed_2lkr 1
12 . . . . . . . . . . . . . . . . 10.1350 8.9350 11.3350 . . . 69 . N1 . 69 . H1 parsed_2lkr 1
13 . . . . . . . . . . . . . . . . -7.8750 -9.0750 -6.6750 . . . 72 . N3 . 72 . H3 parsed_2lkr 1
14 . . . . . . . . . . . . . . . . 9.5800 8.3800 10.7800 . . . 74 . N3 . 74 . H3 parsed_2lkr 1
15 . . . . . . . . . . . . . . . . 26.4400 25.2400 27.6400 . . . 103 . N1 . 103 . H1 parsed_2lkr 1
16 . . . . . . . . . . . . . . . . -1.3250 -2.5250 -0.1250 . . . 106 . N3 . 106 . H3 parsed_2lkr 1
17 . . . . . . . . . . . . . . . . 5.9150 4.7150 7.1150 . . . 108 . N3 . 108 . H3 parsed_2lkr 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 "RDC restraints" 1 1 1 17 parsed_2lkr 1
stop_
save_
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