NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
587929 | 2mnq | 19901 | cing | 2-parsed | STAR | dihedral angle | 47 |
data_2mnq_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2mnq _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_2mnq 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2mnq _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 2mnq "Master copy" parsed_2mnq stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2mnq _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 2mnq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mnq 1 1 2mnq.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 47 parsed_2mnq 1 1 2mnq.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2mnq 1 1 2mnq.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mnq 1 stop_ save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2mnq _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2mnq 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2mnq 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2mnq 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2mnq 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2mnq 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2mnq 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2mnq 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -29.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2mnq 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -29.00 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2mnq 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.41 -46.41 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2mnq 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.18 -54.18 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2mnq 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.42 -54.42 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2mnq 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.44 -55.44 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2mnq 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.67 -48.67 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2mnq 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.92 -55.92 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2mnq 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.95 -52.95 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2mnq 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.95 -53.95 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2mnq 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.62 -53.62 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2mnq 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2mnq 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2mnq 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2mnq 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2mnq 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -29.00 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2mnq 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.00 -19.00 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2mnq 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2mnq 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2mnq 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2mnq 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2mnq 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2mnq 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2mnq 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2mnq 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.00 -5.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2mnq 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.09 -20.09 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2mnq 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.13 -30.13 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2mnq 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.92 -27.92 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2mnq 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.22 -31.22 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2mnq 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.07 -33.07 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2mnq 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.57 -30.57 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2mnq 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.77 -28.77 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2mnq 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.44 -30.44 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2mnq 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.54 -31.54 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2mnq 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2mnq 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2mnq 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2mnq 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2mnq 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.00 -5.00 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2mnq 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.00 6.00 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2mnq 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 ; ! { Dihedral Angle Restraints } !phi C(i-1)-N(i)-CA(i)-C(i) D2 ; 1 1 4 6 parsed_2mnq 1 2 A3 11 1 11 6 parsed_2mnq 1 3 A4 18 1 18 6 parsed_2mnq 1 4 V5 25 1 25 6 parsed_2mnq 1 5 D6 32 1 32 6 parsed_2mnq 1 6 T7 39 1 39 6 parsed_2mnq 1 7 S8 46 1 46 6 parsed_2mnq 1 8 S9 53 1 53 6 parsed_2mnq 1 9 E10 60 1 60 7 parsed_2mnq 1 10 ; I11 assign (resid 10 and name C ) (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name C ) 1 -49.00 20.00 2 T12 assign (resid 11 and name C ) (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name C ) 1 -63.30 20.00 2 T13 ; 67 1 81 7 parsed_2mnq 1 11 K14 88 1 88 7 parsed_2mnq 1 12 D15 95 1 95 7 parsed_2mnq 1 13 L16 102 1 102 7 parsed_2mnq 1 14 K17 109 1 109 7 parsed_2mnq 1 15 E18 116 1 116 7 parsed_2mnq 1 16 K19 123 1 123 7 parsed_2mnq 1 17 K20 130 1 130 7 parsed_2mnq 1 18 E21 137 1 137 7 parsed_2mnq 1 19 V22 144 1 144 7 parsed_2mnq 1 20 V23 151 1 151 7 parsed_2mnq 1 21 E24 158 1 158 7 parsed_2mnq 1 22 E25 165 1 165 7 parsed_2mnq 1 23 A26 172 1 172 7 parsed_2mnq 1 24 E27 179 1 179 7 parsed_2mnq 1 25 ; ! { Dihedral Angle Restraints } !psi N(i)-CA(i)-C(i)-N(i+1) D2 ; 186 1 189 6 parsed_2mnq 1 26 A3 196 1 196 6 parsed_2mnq 1 27 A4 203 1 203 6 parsed_2mnq 1 28 V5 210 1 210 6 parsed_2mnq 1 29 D6 217 1 217 6 parsed_2mnq 1 30 T7 224 1 224 6 parsed_2mnq 1 31 S8 231 1 231 6 parsed_2mnq 1 32 S9 238 1 238 6 parsed_2mnq 1 33 ; E10 assign (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) (resid 11 and name N ) 1 -26.00 21.00 2 I11 assign (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name C ) (resid 12 and name N ) 1 -26.00 21.00 2 T12 assign (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name C ) (resid 13 and name N ) 1 -35.59 21.00 2 T13 ; 245 1 266 7 parsed_2mnq 1 34 K14 273 1 273 7 parsed_2mnq 1 35 D15 280 1 280 7 parsed_2mnq 1 36 L16 287 1 287 7 parsed_2mnq 1 37 K17 294 1 294 7 parsed_2mnq 1 38 E18 301 1 301 7 parsed_2mnq 1 39 K19 308 1 308 7 parsed_2mnq 1 40 K20 315 1 315 7 parsed_2mnq 1 41 E21 322 1 322 7 parsed_2mnq 1 42 V22 329 1 329 7 parsed_2mnq 1 43 V23 336 1 336 7 parsed_2mnq 1 44 E24 343 1 343 7 parsed_2mnq 1 45 E25 350 1 350 7 parsed_2mnq 1 46 A26 357 1 357 7 parsed_2mnq 1 47 E27 364 1 364 7 parsed_2mnq 1 48 "message=on echo=on" 372 1 372 26 parsed_2mnq 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 end 370 1 370 3 parsed_2mnq 1 stop_ save_
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