NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
532943 |
2kli   |
cing | 2-parsed | STAR | dipolar coupling | 6 |
data_2kli_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kli
_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_2kli 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kli
_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 2kli "Master copy" parsed_2kli
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kli
_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 2kli.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 2 distance NOE simple 1118 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 237 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 39 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 5 distance NOE simple 119 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 148 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 310 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 171 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 6 parsed_2kli 1
1 2kli.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kli 1
1 2kli.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kli 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_9
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kli
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 9
_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 . . . . . . . . . . . . . . . . -0.9 -1.9 0.1 . . . 138 . CBP . 138 . CAE parsed_2kli 1
2 . . . . . . . . . . . . . . . . -3.8 -4.8 -2.8 . . . 138 . CBQ . 138 . CAF parsed_2kli 1
3 . . . . . . . . . . . . . . . . -0.8 -1.8 0.2 . . . 138 . CAQ . 138 . CAA parsed_2kli 1
4 . . . . . . . . . . . . . . . . -1.1 -2.1 -0.1 . . . 138 . CBE . 138 . CAC parsed_2kli 1
5 . . . . . . . . . . . . . . . . -2.7 -3.7 -1.7 . . . 138 . CBF . 138 . CAD parsed_2kli 1
6 . . . . . . . . . . . . . . . . 2.2 1.2 3.2 . . . 138 . CBD . 138 . CAB parsed_2kli 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 Ef 1 1 1 4 parsed_2kli 1
2
;
! X (Ff? - not present in iso pfr!)
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 138 and name CBQ )
( resid 138 and name CAF ) 2.1 1.0 1.0
;
9 1 15 55 parsed_2kli 1
3 "! Cf?" 31 1 31 7 parsed_2kli 1
stop_
save_
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