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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
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639068 |
6mk8 ![]() ![]() |
30524 | cing | 2-parsed | STAR | dihedral angle | 22 |
data_6mk8_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6mk8 _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_6mk8 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6mk8 _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 6mk8 "Master copy" parsed_6mk8 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6mk8 _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 6mk8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6mk8 1 1 6mk8.mr . . XPLOR/CNS 2 distance NOE simple 83 parsed_6mk8 1 1 6mk8.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_6mk8 1 1 6mk8.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6mk8 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6mk8 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -49.00 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6mk8 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -14.00 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6mk8 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -51.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6mk8 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -30.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6mk8 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.00 -55.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6mk8 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.00 -24.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6mk8 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -54.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6mk8 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -31.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6mk8 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -53.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6mk8 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -29.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6mk8 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -52.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6mk8 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -34.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6mk8 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -54.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6mk8 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -29.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6mk8 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -53.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6mk8 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -30.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6mk8 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.00 -56.00 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6mk8 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -20.00 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6mk8 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -52.00 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6mk8 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.00 -29.00 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6mk8 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.00 -61.00 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6mk8 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.00 -16.00 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6mk8 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; THIS PART CONTAINS THE ANGLE RESTRAINTS DERIVED FROM A SET OF HETERONUCLEAR CHEMICAL CHIFTS OF DFT503 BOUND TO SDS MICEES @ END_XPLR_NOE_FILE ! phi and phi angles for G503sds #Gus Oct 27 2014 ! 2 ; 1 1 4 5 parsed_6mk8 1 2 "! 3" 8 72 10 5 parsed_6mk8 1 3 "! 4" 14 72 15 5 parsed_6mk8 1 4 "! 5" 19 72 21 5 parsed_6mk8 1 5 "! 6" 25 72 27 11 parsed_6mk8 1 6 "! 7" 31 72 32 5 parsed_6mk8 1 7 "! 8" 36 72 37 5 parsed_6mk8 1 8 "! 9" 41 72 42 5 parsed_6mk8 1 9 "! 10" 46 72 47 6 parsed_6mk8 1 10 "! 11" 51 74 52 6 parsed_6mk8 1 11 "! 12" 56 74 57 6 parsed_6mk8 1 12 ; END THE END of DFT503 structural restraints ; 61 74 65 41 parsed_6mk8 1 stop_ save_
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