NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
639589 | 6gwx | 34295 | cing | 2-parsed | STAR | dihedral angle | 48 |
data_6gwx_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6gwx _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_6gwx 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6gwx _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 6gwx "Master copy" parsed_6gwx stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6gwx _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 6gwx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6gwx 1 1 6gwx.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_6gwx 1 1 6gwx.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_6gwx 1 1 6gwx.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6gwx 1 stop_ save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6gwx _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.00 -40.20 . " A" 3 . C " A" 4 . N " A" 4 . CA " A" 4 . C parsed_6gwx 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 190.02 . " A" 4 . N " A" 4 . CA " A" 4 . C " A" 5 . N parsed_6gwx 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -31.24 . " A" 4 . C " A" 5 . N " A" 5 . CA " A" 5 . C parsed_6gwx 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.00 186.56 . " A" 5 . N " A" 5 . CA " A" 5 . C " A" 6 . N parsed_6gwx 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -6.98 . " A" 5 . C " A" 6 . N " A" 6 . CA " A" 6 . C parsed_6gwx 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 152.34 . " A" 6 . N " A" 6 . CA " A" 6 . C " A" 7 . N parsed_6gwx 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -3.80 . " A" 6 . C " A" 7 . N " A" 7 . CA " A" 7 . C parsed_6gwx 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 213.54 . " A" 7 . N " A" 7 . CA " A" 7 . C " A" 8 . N parsed_6gwx 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -21.44 . " A" 7 . C " A" 8 . N " A" 8 . CA " A" 8 . C parsed_6gwx 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 161.48 . " A" 13 . N " A" 13 . CA " A" 13 . C " A" 14 . N parsed_6gwx 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -30.08 . " A" 13 . C " A" 14 . N " A" 14 . CA " A" 14 . C parsed_6gwx 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 6.92 . " A" 14 . N " A" 14 . CA " A" 14 . C " A" 15 . N parsed_6gwx 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -43.08 . " A" 14 . C " A" 15 . N " A" 15 . CA " A" 15 . C parsed_6gwx 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -10.10 . " A" 15 . N " A" 15 . CA " A" 15 . C " A" 16 . N parsed_6gwx 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.02 . " A" 15 . C " A" 16 . N " A" 16 . CA " A" 16 . C parsed_6gwx 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -3.58 . " A" 16 . N " A" 16 . CA " A" 16 . C " A" 17 . N parsed_6gwx 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -37.52 . " A" 16 . C " A" 17 . N " A" 17 . CA " A" 17 . C parsed_6gwx 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 1.10 . " A" 17 . N " A" 17 . CA " A" 17 . C " A" 18 . N parsed_6gwx 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.82 . " A" 17 . C " A" 18 . N " A" 18 . CA " A" 18 . C parsed_6gwx 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 4.68 . " A" 18 . N " A" 18 . CA " A" 18 . C " A" 19 . N parsed_6gwx 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.22 . " A" 18 . C " A" 19 . N " A" 19 . CA " A" 19 . C parsed_6gwx 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.10 . " A" 19 . N " A" 19 . CA " A" 19 . C " A" 20 . N parsed_6gwx 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.36 . " A" 19 . C " A" 20 . N " A" 20 . CA " A" 20 . C parsed_6gwx 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.64 . " A" 20 . N " A" 20 . CA " A" 20 . C " A" 21 . N parsed_6gwx 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -41.92 . " A" 20 . C " A" 21 . N " A" 21 . CA " A" 21 . C parsed_6gwx 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.72 . " A" 21 . N " A" 21 . CA " A" 21 . C " A" 22 . N parsed_6gwx 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.78 . " A" 21 . C " A" 22 . N " A" 22 . CA " A" 22 . C parsed_6gwx 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -13.00 . " A" 22 . N " A" 22 . CA " A" 22 . C " A" 23 . N parsed_6gwx 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.74 . " A" 22 . C " A" 23 . N " A" 23 . CA " A" 23 . C parsed_6gwx 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.42 . " A" 23 . N " A" 23 . CA " A" 23 . C " A" 24 . N parsed_6gwx 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.96 . " A" 23 . C " A" 24 . N " A" 24 . CA " A" 24 . C parsed_6gwx 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -21.16 . " A" 24 . N " A" 24 . CA " A" 24 . C " A" 25 . N parsed_6gwx 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.58 . " A" 24 . C " A" 25 . N " A" 25 . CA " A" 25 . C parsed_6gwx 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -11.30 . " A" 25 . N " A" 25 . CA " A" 25 . C " A" 26 . N parsed_6gwx 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.40 . " A" 25 . C " A" 26 . N " A" 26 . CA " A" 26 . C parsed_6gwx 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -17.78 . " A" 26 . N " A" 26 . CA " A" 26 . C " A" 27 . N parsed_6gwx 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 26 . C " A" 27 . N " A" 27 . CA " A" 27 . C parsed_6gwx 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -15.26 . " A" 27 . N " A" 27 . CA " A" 27 . C " A" 28 . N parsed_6gwx 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.90 . " A" 27 . C " A" 28 . N " A" 28 . CA " A" 28 . C parsed_6gwx 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -13.10 . " A" 28 . N " A" 28 . CA " A" 28 . C " A" 29 . N parsed_6gwx 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.78 . " A" 28 . C " A" 29 . N " A" 29 . CA " A" 29 . C parsed_6gwx 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -16.90 . " A" 29 . N " A" 29 . CA " A" 29 . C " A" 30 . N parsed_6gwx 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -35.18 . " A" 29 . C " A" 30 . N " A" 30 . CA " A" 30 . C parsed_6gwx 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -15.80 . " A" 30 . N " A" 30 . CA " A" 30 . C " A" 31 . N parsed_6gwx 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.72 . " A" 30 . C " A" 31 . N " A" 31 . CA " A" 31 . C parsed_6gwx 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.88 . " A" 31 . N " A" 31 . CA " A" 31 . C " A" 32 . N parsed_6gwx 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.74 . " A" 31 . C " A" 32 . N " A" 32 . CA " A" 32 . C parsed_6gwx 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -11.82 . " A" 32 . N " A" 32 . CA " A" 32 . C " A" 33 . N parsed_6gwx 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 ; assign (segid " A" and resid 2 and name C ) (segid " A" and resid 3 and name N ) (segid " A" and resid 3 and name CA ) (segid " A" and resid 3 and name C ) 1.00 -57.75 35.25 2 assign (segid " A" and resid 3 and name N ) (segid " A" and resid 3 and name CA ) (segid " A" and resid 3 and name C ) (segid " A" and resid 4 and name N ) 1.00 -31.99 35.01 2 ; 2 2 6 119 parsed_6gwx 1 2 ; ! assign (segid " A" and resid 8 and name N ) (segid " A" and resid 8 and name CA ) ! (segid " A" and resid 8 and name C ) (segid " A" and resid 9 and name N ) 1.00 135.97 15.97 2 ! assign (segid " A" and resid 8 and name C ) (segid " A" and resid 9 and name N ) ! (segid " A" and resid 9 and name CA ) (segid " A" and resid 9 and name C ) 1.00 -65.19 44.81 2 ! assign (segid " A" and resid 9 and name N ) (segid " A" and resid 9 and name CA ) ! (segid " A" and resid 9 and name C ) (segid " A" and resid 10 and name N ) 1.00 138.20 38.20 2 ! assign (segid " A" and resid 9 and name C ) (segid " A" and resid 10 and name N ) ! (segid " A" and resid 10 and name CA ) (segid " A" and resid 10 and name C ) 1.00 -65.23 34.77 2 ! assign (segid " A" and resid 10 and name N ) (segid " A" and resid 10 and name CA ) ! (segid " A" and resid 10 and name C ) (segid " A" and resid 11 and name N ) 1.00 -24.02 25.98 2 ! assign (segid " A" and resid 10 and name C ) (segid " A" and resid 11 and name N ) ! (segid " A" and resid 11 and name CA ) (segid " A" and resid 11 and name C ) 1.00 -66.48 43.52 2 ! assign (segid " A" and resid 11 and name N ) (segid " A" and resid 11 and name CA ) ! (segid " A" and resid 11 and name C ) (segid " A" and resid 12 and name N ) 1.00 147.77 27.77 2 ! assign (segid " A" and resid 11 and name C ) (segid " A" and resid 12 and name N ) ! (segid " A" and resid 12 and name CA ) (segid " A" and resid 12 and name C ) 1.00 -65.38 34.62 2 ! assign (segid " A" and resid 12 and name N ) (segid " A" and resid 12 and name CA ) ! (segid " A" and resid 12 and name C ) (segid " A" and resid 13 and name N ) 1.00 154.19 34.19 2 ! assign (segid " A" and resid 12 and name C ) (segid " A" and resid 13 and name N ) ! (segid " A" and resid 13 and name CA ) (segid " A" and resid 13 and name C ) 1.00 -65.25 34.75 2 ; 35 1 63 120 parsed_6gwx 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 "# Restraints file 1: ppa_tyr_opt_diheds_020617.tbl" 1 1 1 50 parsed_6gwx 1 stop_ save_
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