NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
41951 | 1xoy | 6341 | cing | 2-parsed | STAR | dihedral angle | 174 |
data_1xoy_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1xoy _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_1xoy 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1xoy _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 1xoy "Master copy" parsed_1xoy stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1xoy _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 1xoy.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1xoy 1 1 1xoy.mr . . XPLOR/CNS 2 distance NOE simple 2876 parsed_1xoy 1 1 1xoy.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 174 parsed_1xoy 1 1 1xoy.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1xoy 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1xoy _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.000 -55.890 . " " 8 . c " " 9 . n " " 9 . ca " " 9 . c parsed_1xoy 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.020 157.430 . " " 9 . n " " 9 . ca " " 9 . c " " 10 . n parsed_1xoy 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.10 -79.16 . " " 12 . c " " 13 . n " " 13 . ca " " 13 . c parsed_1xoy 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.7 -107.3 . " " 13 . c " " 14 . n " " 14 . ca " " 14 . c parsed_1xoy 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.560 169.370 . " " 14 . n " " 14 . ca " " 14 . c " " 15 . n parsed_1xoy 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.00 -59.72 . " " 14 . c " " 15 . n " " 15 . ca " " 15 . c parsed_1xoy 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.63 -51.77 . " " 16 . c " " 17 . n " " 17 . ca " " 17 . c parsed_1xoy 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.890 -15.840 . " " 17 . n " " 17 . ca " " 17 . c " " 18 . n parsed_1xoy 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.81 -51.49 . " " 17 . c " " 18 . n " " 18 . ca " " 18 . c parsed_1xoy 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.95 8.79 . " " 18 . n " " 18 . ca " " 18 . c " " 19 . n parsed_1xoy 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.90 -54.20 . " " 22 . c " " 23 . n " " 23 . ca " " 23 . c parsed_1xoy 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.67 10.31 . " " 23 . n " " 23 . ca " " 23 . c " " 24 . n parsed_1xoy 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.2 -113.2 . " " 25 . c " " 26 . n " " 26 . ca " " 26 . c parsed_1xoy 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.820 165.810 . " " 26 . n " " 26 . ca " " 26 . c " " 27 . n parsed_1xoy 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.400 -80.150 . " " 26 . c " " 27 . n " " 27 . ca " " 27 . c parsed_1xoy 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.66 139.86 . " " 27 . n " " 27 . ca " " 27 . c " " 28 . n parsed_1xoy 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -51 . " " 31 . c " " 32 . n " " 32 . ca " " 32 . c parsed_1xoy 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.67 15.31 . " " 32 . n " " 32 . ca " " 32 . c " " 33 . n parsed_1xoy 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.10 -63.76 . " " 33 . c " " 34 . n " " 34 . ca " " 34 . c parsed_1xoy 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.430 162.820 . " " 34 . n " " 34 . ca " " 34 . c " " 35 . n parsed_1xoy 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.000 -57.610 . " " 34 . c " " 35 . n " " 35 . ca " " 35 . c parsed_1xoy 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.270 191.240 . " " 35 . n " " 35 . ca " " 35 . c " " 36 . n parsed_1xoy 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.510 -3.280 . " " 37 . n " " 37 . ca " " 37 . c " " 38 . n parsed_1xoy 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48 12 . " " 38 . n " " 38 . ca " " 38 . c " " 39 . n parsed_1xoy 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.2 -105.4 . " " 39 . c " " 40 . n " " 40 . ca " " 40 . c parsed_1xoy 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.60 -80.28 . " " 40 . c " " 41 . n " " 41 . ca " " 41 . c parsed_1xoy 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.75 158.69 . " " 41 . n " " 41 . ca " " 41 . c " " 42 . n parsed_1xoy 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.000 -35.690 . " " 41 . c " " 42 . n " " 42 . ca " " 42 . c parsed_1xoy 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.11 160.01 . " " 42 . n " " 42 . ca " " 42 . c " " 43 . n parsed_1xoy 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -18.0 . " " 43 . n " " 43 . ca " " 43 . c " " 44 . n parsed_1xoy 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.35 -49.21 . " " 43 . c " " 44 . n " " 44 . ca " " 44 . c parsed_1xoy 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.610 -11.200 . " " 44 . n " " 44 . ca " " 44 . c " " 45 . n parsed_1xoy 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.820 -58.930 . " " 46 . c " " 47 . n " " 47 . ca " " 47 . c parsed_1xoy 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.05 162.57 . " " 47 . n " " 47 . ca " " 47 . c " " 48 . n parsed_1xoy 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.300 -72.710 . " " 49 . c " " 50 . n " " 50 . ca " " 50 . c parsed_1xoy 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.08 185.16 . " " 50 . n " " 50 . ca " " 50 . c " " 51 . n parsed_1xoy 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.30 -76.28 . " " 50 . c " " 51 . n " " 51 . ca " " 51 . c parsed_1xoy 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.82 165.44 . " " 51 . n " " 51 . ca " " 51 . c " " 52 . n parsed_1xoy 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.10 -78.62 . " " 51 . c " " 52 . n " " 52 . ca " " 52 . c parsed_1xoy 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.960 141.070 . " " 52 . n " " 52 . ca " " 52 . c " " 53 . n parsed_1xoy 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.60 -99.06 . " " 52 . c " " 53 . n " " 53 . ca " " 53 . c parsed_1xoy 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.880 168.950 . " " 53 . n " " 53 . ca " " 53 . c " " 54 . n parsed_1xoy 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.00 -116.70 . " " 59 . c " " 60 . n " " 60 . ca " " 60 . c parsed_1xoy 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.83 170.17 . " " 60 . n " " 60 . ca " " 60 . c " " 61 . n parsed_1xoy 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.80 -85.42 . " " 60 . c " " 61 . n " " 61 . ca " " 61 . c parsed_1xoy 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.580 151.550 . " " 61 . n " " 61 . ca " " 61 . c " " 62 . n parsed_1xoy 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.7 -102.1 . " " 61 . c " " 62 . n " " 62 . ca " " 62 . c parsed_1xoy 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.890 155.360 . " " 62 . n " " 62 . ca " " 62 . c " " 63 . n parsed_1xoy 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.5 -80.3 . " " 62 . c " " 63 . n " " 63 . ca " " 63 . c parsed_1xoy 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.57 141.99 . " " 63 . n " " 63 . ca " " 63 . c " " 64 . n parsed_1xoy 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.70 -103.00 . " " 63 . c " " 64 . n " " 64 . ca " " 64 . c parsed_1xoy 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.990 150.060 . " " 64 . n " " 64 . ca " " 64 . c " " 65 . n parsed_1xoy 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.600 -64.350 . " " 65 . c " " 66 . n " " 66 . ca " " 66 . c parsed_1xoy 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.950 161.820 . " " 66 . n " " 66 . ca " " 66 . c " " 67 . n parsed_1xoy 1 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.7 -124.3 . " " 67 . c " " 68 . n " " 68 . ca " " 68 . c parsed_1xoy 1 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139.340 177.530 . " " 68 . n " " 68 . ca " " 68 . c " " 69 . n parsed_1xoy 1 57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.20 -61.78 . " " 68 . c " " 69 . n " " 69 . ca " " 69 . c parsed_1xoy 1 58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.28 143.18 . " " 69 . n " " 69 . ca " " 69 . c " " 70 . n parsed_1xoy 1 59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.40 -98.38 . " " 69 . c " " 70 . n " " 70 . ca " " 70 . c parsed_1xoy 1 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.92 171.70 . " " 70 . n " " 70 . ca " " 70 . c " " 71 . n parsed_1xoy 1 61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.40 -78.34 . " " 70 . c " " 71 . n " " 71 . ca " " 71 . c parsed_1xoy 1 62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.790 150.840 . " " 71 . n " " 71 . ca " " 71 . c " " 72 . n parsed_1xoy 1 63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.600 -58.270 . " " 71 . c " " 72 . n " " 72 . ca " " 72 . c parsed_1xoy 1 64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.740 157.510 . " " 72 . n " " 72 . ca " " 72 . c " " 73 . n parsed_1xoy 1 65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.3 -117.9 . " " 74 . c " " 75 . n " " 75 . ca " " 75 . c parsed_1xoy 1 66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.080 158.890 . " " 75 . n " " 75 . ca " " 75 . c " " 76 . n parsed_1xoy 1 67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.500 -90.190 . " " 75 . c " " 76 . n " " 76 . ca " " 76 . c parsed_1xoy 1 68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.530 172.100 . " " 76 . n " " 76 . ca " " 76 . c " " 77 . n parsed_1xoy 1 69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.30 -101.20 . " " 76 . c " " 77 . n " " 77 . ca " " 77 . c parsed_1xoy 1 70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.550 167.260 . " " 77 . n " " 77 . ca " " 77 . c " " 78 . n parsed_1xoy 1 71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -88.910 . " " 77 . c " " 78 . n " " 78 . ca " " 78 . c parsed_1xoy 1 72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.130 170.340 . " " 78 . n " " 78 . ca " " 78 . c " " 79 . n parsed_1xoy 1 73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.870 -40.900 . " " 80 . c " " 81 . n " " 81 . ca " " 81 . c parsed_1xoy 1 74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.640 -27.350 . " " 81 . n " " 81 . ca " " 81 . c " " 82 . n parsed_1xoy 1 75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.00 -48.22 . " " 81 . c " " 82 . n " " 82 . ca " " 82 . c parsed_1xoy 1 76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.00 -7.78 . " " 82 . n " " 82 . ca " " 82 . c " " 83 . n parsed_1xoy 1 77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.10 -61.36 . " " 82 . c " " 83 . n " " 83 . ca " " 83 . c parsed_1xoy 1 78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.69 37.55 . " " 83 . n " " 83 . ca " " 83 . c " " 84 . n parsed_1xoy 1 79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27.890 299.660 . " " 83 . c " " 84 . n " " 84 . ca " " 84 . c parsed_1xoy 1 80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -313.900 -19.510 . " " 84 . n " " 84 . ca " " 84 . c " " 85 . n parsed_1xoy 1 81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.470 178.820 . " " 85 . n " " 85 . ca " " 85 . c " " 86 . n parsed_1xoy 1 82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.20 -91.76 . " " 87 . c " " 88 . n " " 88 . ca " " 88 . c parsed_1xoy 1 83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.72 145.22 . " " 88 . n " " 88 . ca " " 88 . c " " 89 . n parsed_1xoy 1 84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.4 -94.0 . " " 88 . c " " 89 . n " " 89 . ca " " 89 . c parsed_1xoy 1 85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.300 170.750 . " " 89 . n " " 89 . ca " " 89 . c " " 90 . n parsed_1xoy 1 86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.000 -92.590 . " " 90 . c " " 91 . n " " 91 . ca " " 91 . c parsed_1xoy 1 87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.96 160.16 . " " 91 . n " " 91 . ca " " 91 . c " " 92 . n parsed_1xoy 1 88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.40 -55.56 . " " 94 . c " " 95 . n " " 95 . ca " " 95 . c parsed_1xoy 1 89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.840 174.850 . " " 95 . n " " 95 . ca " " 95 . c " " 96 . n parsed_1xoy 1 90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.82 -47.56 . " " 98 . c " " 99 . n " " 99 . ca " " 99 . c parsed_1xoy 1 91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.620 -17.250 . " " 99 . n " " 99 . ca " " 99 . c " " 100 . n parsed_1xoy 1 92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.330 -59.600 . " " 101 . c " " 102 . n " " 102 . ca " " 102 . c parsed_1xoy 1 93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.48 2.48 . " " 102 . n " " 102 . ca " " 102 . c " " 103 . n parsed_1xoy 1 94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.50 -97.34 . " " 104 . c " " 105 . n " " 105 . ca " " 105 . c parsed_1xoy 1 95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.20 169.10 . " " 105 . n " " 105 . ca " " 105 . c " " 106 . n parsed_1xoy 1 96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.30 162.56 . " " 106 . n " " 106 . ca " " 106 . c " " 107 . n parsed_1xoy 1 97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.90 -52.84 . " " 107 . c " " 108 . n " " 108 . ca " " 108 . c parsed_1xoy 1 98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.630 -20.840 . " " 108 . n " " 108 . ca " " 108 . c " " 109 . n parsed_1xoy 1 99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.10 -83.88 . " " 109 . c " " 110 . n " " 110 . ca " " 110 . c parsed_1xoy 1 100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.33 157.99 . " " 110 . n " " 110 . ca " " 110 . c " " 111 . n parsed_1xoy 1 101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.70 -109.40 . " " 110 . c " " 111 . n " " 111 . ca " " 111 . c parsed_1xoy 1 102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.300 171.570 . " " 111 . n " " 111 . ca " " 111 . c " " 112 . n parsed_1xoy 1 103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.00 -81.02 . " " 111 . c " " 112 . n " " 112 . ca " " 112 . c parsed_1xoy 1 104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.820 137.630 . " " 112 . n " " 112 . ca " " 112 . c " " 113 . n parsed_1xoy 1 105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.700 -61.930 . " " 112 . c " " 113 . n " " 113 . ca " " 113 . c parsed_1xoy 1 106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.570 157.340 . " " 113 . n " " 113 . ca " " 113 . c " " 114 . n parsed_1xoy 1 107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.10 -62.24 . " " 113 . c " " 114 . n " " 114 . ca " " 114 . c parsed_1xoy 1 108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158.360 183.230 . " " 114 . n " " 114 . ca " " 114 . c " " 115 . n parsed_1xoy 1 109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.680 -52.270 . " " 114 . c " " 115 . n " " 115 . ca " " 115 . c parsed_1xoy 1 110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.440 -23.450 . " " 115 . n " " 115 . ca " " 115 . c " " 116 . n parsed_1xoy 1 111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.850 -56.420 . " " 115 . c " " 116 . n " " 116 . ca " " 116 . c parsed_1xoy 1 112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.010 -32.720 . " " 116 . n " " 116 . ca " " 116 . c " " 117 . n parsed_1xoy 1 113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.830 -60.420 . " " 116 . c " " 117 . n " " 117 . ca " " 117 . c parsed_1xoy 1 114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.050 -26.200 . " " 117 . n " " 117 . ca " " 117 . c " " 118 . n parsed_1xoy 1 115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.290 -58.060 . " " 117 . c " " 118 . n " " 118 . ca " " 118 . c parsed_1xoy 1 116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.36 2.02 . " " 118 . n " " 118 . ca " " 118 . c " " 119 . n parsed_1xoy 1 117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.400 -79.470 . " " 118 . c " " 119 . n " " 119 . ca " " 119 . c parsed_1xoy 1 118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -13.690 31.040 . " " 119 . n " " 119 . ca " " 119 . c " " 120 . n parsed_1xoy 1 119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.9 -75.5 . " " 120 . c " " 121 . n " " 121 . ca " " 121 . c parsed_1xoy 1 120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.95 155.09 . " " 121 . n " " 121 . ca " " 121 . c " " 122 . n parsed_1xoy 1 121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.340 155.010 . " " 122 . n " " 122 . ca " " 122 . c " " 123 . n parsed_1xoy 1 122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.90 -71.38 . " " 122 . c " " 123 . n " " 123 . ca " " 123 . c parsed_1xoy 1 123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.14 150.40 . " " 123 . n " " 123 . ca " " 123 . c " " 124 . n parsed_1xoy 1 124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.00 -62.12 . " " 123 . c " " 124 . n " " 124 . ca " " 124 . c parsed_1xoy 1 125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.960 148.130 . " " 124 . n " " 124 . ca " " 124 . c " " 125 . n parsed_1xoy 1 126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.87 -48.99 . " " 127 . c " " 128 . n " " 128 . ca " " 128 . c parsed_1xoy 1 127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.37 4.69 . " " 128 . n " " 128 . ca " " 128 . c " " 129 . n parsed_1xoy 1 128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.90 -64.18 . " " 128 . c " " 129 . n " " 129 . ca " " 129 . c parsed_1xoy 1 129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.02 25.10 . " " 129 . n " " 129 . ca " " 129 . c " " 130 . n parsed_1xoy 1 130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.600 -63.230 . " " 130 . c " " 131 . n " " 131 . ca " " 131 . c parsed_1xoy 1 131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.340 156.450 . " " 132 . n " " 132 . ca " " 132 . c " " 133 . n parsed_1xoy 1 132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.50 -59.24 . " " 132 . c " " 133 . n " " 133 . ca " " 133 . c parsed_1xoy 1 133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.65 137.29 . " " 133 . n " " 133 . ca " " 133 . c " " 134 . n parsed_1xoy 1 134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187.20 -93.64 . " " 134 . c " " 135 . n " " 135 . ca " " 135 . c parsed_1xoy 1 135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.770 171.480 . " " 135 . n " " 135 . ca " " 135 . c " " 136 . n parsed_1xoy 1 136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.4 -120.0 . " " 135 . c " " 136 . n " " 136 . ca " " 136 . c parsed_1xoy 1 137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.670 168.140 . " " 136 . n " " 136 . ca " " 136 . c " " 137 . n parsed_1xoy 1 138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.500 -81.430 . " " 136 . c " " 137 . n " " 137 . ca " " 137 . c parsed_1xoy 1 139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.680 151.210 . " " 137 . n " " 137 . ca " " 137 . c " " 138 . n parsed_1xoy 1 140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.50 -105.00 . " " 137 . c " " 138 . n " " 138 . ca " " 138 . c parsed_1xoy 1 141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.77 149.79 . " " 138 . n " " 138 . ca " " 138 . c " " 139 . n parsed_1xoy 1 142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.400 -91.230 . " " 138 . c " " 139 . n " " 139 . ca " " 139 . c parsed_1xoy 1 143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.000 145.370 . " " 139 . n " " 139 . ca " " 139 . c " " 140 . n parsed_1xoy 1 144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.00 -89.56 . " " 139 . c " " 140 . n " " 140 . ca " " 140 . c parsed_1xoy 1 145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.080 144.990 . " " 140 . n " " 140 . ca " " 140 . c " " 141 . n parsed_1xoy 1 146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.100 -62.690 . " " 142 . c " " 143 . n " " 143 . ca " " 143 . c parsed_1xoy 1 147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.52 184.98 . " " 143 . n " " 143 . ca " " 143 . c " " 144 . n parsed_1xoy 1 148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.900 -76.490 . " " 144 . c " " 145 . n " " 145 . ca " " 145 . c parsed_1xoy 1 149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.22 29.84 . " " 145 . n " " 145 . ca " " 145 . c " " 146 . n parsed_1xoy 1 150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.600 -84.750 . " " 146 . c " " 147 . n " " 147 . ca " " 147 . c parsed_1xoy 1 151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -6.30 15.24 . " " 147 . n " " 147 . ca " " 147 . c " " 148 . n parsed_1xoy 1 152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.8 -102.8 . " " 148 . c " " 149 . n " " 149 . ca " " 149 . c parsed_1xoy 1 153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.080 182.170 . " " 149 . n " " 149 . ca " " 149 . c " " 150 . n parsed_1xoy 1 154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.10 -82.76 . " " 149 . c " " 150 . n " " 150 . ca " " 150 . c parsed_1xoy 1 155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.840 137.850 . " " 150 . n " " 150 . ca " " 150 . c " " 151 . n parsed_1xoy 1 156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.50 -86.06 . " " 150 . c " " 151 . n " " 151 . ca " " 151 . c parsed_1xoy 1 157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.450 167.320 . " " 151 . n " " 151 . ca " " 151 . c " " 152 . n parsed_1xoy 1 158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.00 -101.90 . " " 151 . c " " 152 . n " " 152 . ca " " 152 . c parsed_1xoy 1 159 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.240 147.330 . " " 152 . n " " 152 . ca " " 152 . c " " 153 . n parsed_1xoy 1 160 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.20 -127.10 . " " 153 . c " " 154 . n " " 154 . ca " " 154 . c parsed_1xoy 1 161 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.240 174.970 . " " 154 . n " " 154 . ca " " 154 . c " " 155 . n parsed_1xoy 1 162 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.70 -97.38 . " " 154 . c " " 155 . n " " 155 . ca " " 155 . c parsed_1xoy 1 163 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.36 153.88 . " " 155 . n " " 155 . ca " " 155 . c " " 156 . n parsed_1xoy 1 164 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.3 -102.5 . " " 155 . c " " 156 . n " " 156 . ca " " 156 . c parsed_1xoy 1 165 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.560 160.770 . " " 156 . n " " 156 . ca " " 156 . c " " 157 . n parsed_1xoy 1 166 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.800 -80.650 . " " 156 . c " " 157 . n " " 157 . ca " " 157 . c parsed_1xoy 1 167 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.75 171.07 . " " 157 . n " " 157 . ca " " 157 . c " " 158 . n parsed_1xoy 1 168 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.100 -96.430 . " " 157 . c " " 158 . n " " 158 . ca " " 158 . c parsed_1xoy 1 169 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.980 166.190 . " " 158 . n " " 158 . ca " " 158 . c " " 159 . n parsed_1xoy 1 170 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -214.60 -103.70 . " " 158 . c " " 159 . n " " 159 . ca " " 159 . c parsed_1xoy 1 171 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.37 220.87 . " " 159 . n " " 159 . ca " " 159 . c " " 160 . n parsed_1xoy 1 172 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.50 -87.76 . " " 159 . c " " 160 . n " " 160 . ca " " 160 . c parsed_1xoy 1 173 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.50 -88.62 . " " 89 . c " " 90 . n " " 90 . ca " " 90 . c parsed_1xoy 1 174 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.06 166.36 . " " 90 . n " " 90 . ca " " 90 . c " " 91 . n parsed_1xoy 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 "following are the dihedral constraints" 2 1 2 41 parsed_1xoy 1 stop_ save_
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