NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
636812 | 6nox | 30562 | cing | 2-parsed | STAR | entry | full | 91 |
data_6nox_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6nox _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_6nox 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6nox _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 6nox "Master copy" parsed_6nox stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6nox _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 6nox.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6nox 1 1 6nox.mr . . XPLOR/CNS 2 distance NOE simple 72 parsed_6nox 1 1 6nox.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 19 parsed_6nox 1 1 6nox.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6nox 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_6nox _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *HEADER BIOSYNTHETIC PROTEIN 16-JAN-19 6NOX *TITLE SOLUTION STRUCTURE OF SFTI-KLK5 INHIBITOR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: SFTI-KLK5 PEPTIDE; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS; *SOURCE 4 ORGANISM_TAXID: 4232 *KEYWDS PROTEASE INHIBITOR, BIOSYNTHETIC PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR A.M.WHITE *REVDAT 1 03-APR-19 6NOX 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6nox _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 2 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_6nox 1 2 1 . . . parsed_6nox 1 3 1 . . . parsed_6nox 1 4 1 . . . parsed_6nox 1 5 1 . . . parsed_6nox 1 6 1 . . . parsed_6nox 1 7 1 . . . parsed_6nox 1 8 1 . . . parsed_6nox 1 9 1 . . . parsed_6nox 1 10 1 . . . parsed_6nox 1 11 1 . . . parsed_6nox 1 12 1 . . . parsed_6nox 1 13 1 . . . parsed_6nox 1 14 1 . . . parsed_6nox 1 15 1 . . . parsed_6nox 1 16 1 . . . parsed_6nox 1 17 1 . . . parsed_6nox 1 18 1 . . . parsed_6nox 1 19 1 . . . parsed_6nox 1 20 1 . . . parsed_6nox 1 21 1 . . . parsed_6nox 1 22 1 . . . parsed_6nox 1 23 1 . . . parsed_6nox 1 24 1 . . . parsed_6nox 1 25 1 . . . parsed_6nox 1 26 1 . . . parsed_6nox 1 27 1 . . . parsed_6nox 1 28 1 . . . parsed_6nox 1 29 1 . . . parsed_6nox 1 30 1 . . . parsed_6nox 1 31 1 . . . parsed_6nox 1 32 1 . . . parsed_6nox 1 33 1 . . . parsed_6nox 1 34 1 . . . parsed_6nox 1 35 1 . . . parsed_6nox 1 36 1 . . . parsed_6nox 1 37 1 . . . parsed_6nox 1 38 1 . . . parsed_6nox 1 39 1 . . . parsed_6nox 1 40 1 . . . parsed_6nox 1 41 1 . . . parsed_6nox 1 42 1 . . . parsed_6nox 1 43 1 . . . parsed_6nox 1 44 1 . . . parsed_6nox 1 45 1 . . . parsed_6nox 1 46 1 . . . parsed_6nox 1 47 1 . . . parsed_6nox 1 48 1 . . . parsed_6nox 1 49 1 . . . parsed_6nox 1 50 1 . . . parsed_6nox 1 51 1 . . . parsed_6nox 1 52 1 . . . parsed_6nox 1 53 1 . . . parsed_6nox 1 54 1 . . . parsed_6nox 1 55 1 . . . parsed_6nox 1 56 1 . . . parsed_6nox 1 57 1 . . . parsed_6nox 1 58 1 . . . parsed_6nox 1 59 1 . . . parsed_6nox 1 60 1 . . . parsed_6nox 1 61 1 . . . parsed_6nox 1 62 1 . . . parsed_6nox 1 63 1 . . . parsed_6nox 1 64 1 . . . parsed_6nox 1 65 1 . . . parsed_6nox 1 66 1 . . . parsed_6nox 1 67 1 . . . parsed_6nox 1 68 1 . . . parsed_6nox 1 69 1 . . . parsed_6nox 1 70 1 . . . parsed_6nox 1 71 1 . . . parsed_6nox 1 72 1 . . . parsed_6nox 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 2 . HN parsed_6nox 1 1 1 2 . . . . . . . . . 2 . HB2 parsed_6nox 1 2 1 1 . . . . . . . . . 2 . . parsed_6nox 1 2 1 2 . . . . . . . . . 2 . HB1 parsed_6nox 1 3 1 1 . . . . . . . . . 2 . HA parsed_6nox 1 3 1 2 . . . . . . . . . 3 . . parsed_6nox 1 4 1 1 . . . . . . . . . 3 . HA parsed_6nox 1 4 1 2 . . . . . . . . . 4 . . parsed_6nox 1 5 1 1 . . . . . . . . . 4 . HN parsed_6nox 1 5 1 2 . . . . . . . . . 4 . HB2 parsed_6nox 1 6 1 1 . . . . . . . . . 4 . HN parsed_6nox 1 6 1 2 . . . . . . . . . 4 . HB1 parsed_6nox 1 7 1 1 . . . . . . . . . 4 . HA parsed_6nox 1 7 1 2 . . . . . . . . . 5 . HN parsed_6nox 1 8 1 1 . . . . . . . . . 6 . HA parsed_6nox 1 8 1 2 . . . . . . . . . 7 . HN parsed_6nox 1 9 1 1 . . . . . . . . . 7 . HN parsed_6nox 1 9 1 2 . . . . . . . . . 7 . HB1 parsed_6nox 1 10 1 1 . . . . . . . . . 7 . HN parsed_6nox 1 10 1 2 . . . . . . . . . 7 . HB2 parsed_6nox 1 11 1 1 . . . . . . . . . 7 . HA parsed_6nox 1 11 1 2 . . . . . . . . . 8 . HA parsed_6nox 1 12 1 1 . . . . . . . . . 8 . HA parsed_6nox 1 12 1 2 . . . . . . . . . 9 . HD2 parsed_6nox 1 13 1 1 . . . . . . . . . 8 . HA parsed_6nox 1 13 1 2 . . . . . . . . . 9 . HD1 parsed_6nox 1 14 1 1 . . . . . . . . . 9 . HA parsed_6nox 1 14 1 2 . . . . . . . . . 10 . HN parsed_6nox 1 15 1 1 . . . . . . . . . 10 . HA parsed_6nox 1 15 1 2 . . . . . . . . . 11 . HN parsed_6nox 1 16 1 1 . . . . . . . . . 11 . HN parsed_6nox 1 16 1 2 . . . . . . . . . 11 . HB2 parsed_6nox 1 17 1 1 . . . . . . . . . 11 . HN parsed_6nox 1 17 1 2 . . . . . . . . . 11 . HB1 parsed_6nox 1 18 1 1 . . . . . . . . . 11 . HA parsed_6nox 1 18 1 2 . . . . . . . . . 12 . HN parsed_6nox 1 19 1 1 . . . . . . . . . 14 . HN parsed_6nox 1 19 1 2 . . . . . . . . . 14 . HB2 parsed_6nox 1 20 1 1 . . . . . . . . . 14 . HN parsed_6nox 1 20 1 2 . . . . . . . . . 14 . HB1 parsed_6nox 1 21 1 1 . . . . . . . . . 11 . HB2 parsed_6nox 1 21 1 2 . . . . . . . . . 12 . HN parsed_6nox 1 22 1 1 . . . . . . . . . 11 . HB1 parsed_6nox 1 22 1 2 . . . . . . . . . 12 . HN parsed_6nox 1 23 1 1 . . . . . . . . . 3 . HB1 parsed_6nox 1 23 1 2 . . . . . . . . . 4 . HN parsed_6nox 1 24 1 1 . . . . . . . . . 7 . HD# parsed_6nox 1 24 1 2 . . . . . . . . . 8 . HA parsed_6nox 1 25 1 1 . . . . . . . . . 7 . HA parsed_6nox 1 25 1 2 . . . . . . . . . 7 . HD# parsed_6nox 1 26 1 1 . . . . . . . . . 7 . HE# parsed_6nox 1 26 1 2 . . . . . . . . . 8 . HA parsed_6nox 1 27 1 1 . . . . . . . . . 1 . HN parsed_6nox 1 27 1 2 . . . . . . . . . 2 . HN parsed_6nox 1 28 1 1 . . . . . . . . . 4 . HN parsed_6nox 1 28 1 2 . . . . . . . . . 10 . HN parsed_6nox 1 29 1 1 . . . . . . . . . 5 . HN parsed_6nox 1 29 1 2 . . . . . . . . . 6 . HN parsed_6nox 1 30 1 1 . . . . . . . . . 6 . HN parsed_6nox 1 30 1 2 . . . . . . . . . 7 . HN parsed_6nox 1 31 1 1 . . . . . . . . . 12 . HN parsed_6nox 1 31 1 2 . . . . . . . . . 12 . HE3 parsed_6nox 1 32 1 1 . . . . . . . . . 11 . HA parsed_6nox 1 32 1 2 . . . . . . . . . 12 . HE3 parsed_6nox 1 33 1 1 . . . . . . . . . 12 . HN parsed_6nox 1 33 1 2 . . . . . . . . . 14 . HN parsed_6nox 1 34 1 1 . . . . . . . . . 7 . HN parsed_6nox 1 34 1 2 . . . . . . . . . 7 . HD# parsed_6nox 1 35 1 1 . . . . . . . . . 4 . HN parsed_6nox 1 35 1 2 . . . . . . . . . 12 . HZ3 parsed_6nox 1 36 1 1 . . . . . . . . . 2 . HA parsed_6nox 1 36 1 2 . . . . . . . . . 2 . HD# parsed_6nox 1 37 1 1 . . . . . . . . . 10 . HN parsed_6nox 1 37 1 2 . . . . . . . . . 11 . HN parsed_6nox 1 38 1 1 . . . . . . . . . 12 . HA parsed_6nox 1 38 1 2 . . . . . . . . . 12 . HD1 parsed_6nox 1 39 1 1 . . . . . . . . . 10 . HB2 parsed_6nox 1 39 1 2 . . . . . . . . . 11 . HN parsed_6nox 1 40 1 1 . . . . . . . . . 10 . HB1 parsed_6nox 1 40 1 2 . . . . . . . . . 11 . HN parsed_6nox 1 41 1 1 . . . . . . . . . 3 . HB2 parsed_6nox 1 41 1 2 . . . . . . . . . 4 . HN parsed_6nox 1 42 1 1 . . . . . . . . . 7 . HA parsed_6nox 1 42 1 2 . . . . . . . . . 9 . HD2 parsed_6nox 1 43 1 1 . . . . . . . . . 7 . HA parsed_6nox 1 43 1 2 . . . . . . . . . 9 . HD1 parsed_6nox 1 44 1 1 . . . . . . . . . 2 . HN parsed_6nox 1 44 1 2 . . . . . . . . . 2 . HB# parsed_6nox 1 45 1 1 . . . . . . . . . 2 . HD# parsed_6nox 1 45 1 2 . . . . . . . . . 4 . HB# parsed_6nox 1 46 1 1 . . . . . . . . . 3 . HN parsed_6nox 1 46 1 2 . . . . . . . . . 3 . HB# parsed_6nox 1 47 1 1 . . . . . . . . . 3 . HB# parsed_6nox 1 47 1 2 . . . . . . . . . 4 . HN parsed_6nox 1 48 1 1 . . . . . . . . . 3 . HB# parsed_6nox 1 48 1 2 . . . . . . . . . 11 . HA parsed_6nox 1 49 1 1 . . . . . . . . . 4 . HN parsed_6nox 1 49 1 2 . . . . . . . . . 4 . HB# parsed_6nox 1 50 1 1 . . . . . . . . . 4 . HB# parsed_6nox 1 50 1 2 . . . . . . . . . 12 . HZ3 parsed_6nox 1 51 1 1 . . . . . . . . . 4 . HB# parsed_6nox 1 51 1 2 . . . . . . . . . 12 . HH2 parsed_6nox 1 52 1 1 . . . . . . . . . 5 . HN parsed_6nox 1 52 1 2 . . . . . . . . . 5 . HB# parsed_6nox 1 53 1 1 . . . . . . . . . 5 . HB# parsed_6nox 1 53 1 2 . . . . . . . . . 5 . HE parsed_6nox 1 54 1 1 . . . . . . . . . 6 . HB# parsed_6nox 1 54 1 2 . . . . . . . . . 7 . HN parsed_6nox 1 55 1 1 . . . . . . . . . 7 . HA parsed_6nox 1 55 1 2 . . . . . . . . . 9 . HD# parsed_6nox 1 56 1 1 . . . . . . . . . 7 . HD# parsed_6nox 1 56 1 2 . . . . . . . . . 8 . HD# parsed_6nox 1 57 1 1 . . . . . . . . . 7 . HD# parsed_6nox 1 57 1 2 . . . . . . . . . 9 . HD# parsed_6nox 1 58 1 1 . . . . . . . . . 7 . HE# parsed_6nox 1 58 1 2 . . . . . . . . . 9 . HD# parsed_6nox 1 59 1 1 . . . . . . . . . 8 . HA parsed_6nox 1 59 1 2 . . . . . . . . . 9 . HD# parsed_6nox 1 60 1 1 . . . . . . . . . 8 . HB# parsed_6nox 1 60 1 2 . . . . . . . . . 9 . HD# parsed_6nox 1 61 1 1 . . . . . . . . . 8 . HB# parsed_6nox 1 61 1 2 . . . . . . . . . 10 . HN parsed_6nox 1 62 1 1 . . . . . . . . . 10 . HA parsed_6nox 1 62 1 2 . . . . . . . . . 10 . HG# parsed_6nox 1 63 1 1 . . . . . . . . . 11 . HN parsed_6nox 1 63 1 2 . . . . . . . . . 11 . HB# parsed_6nox 1 64 1 1 . . . . . . . . . 11 . HB# parsed_6nox 1 64 1 2 . . . . . . . . . 12 . HN parsed_6nox 1 65 1 1 . . . . . . . . . 12 . HN parsed_6nox 1 65 1 2 . . . . . . . . . 12 . HB# parsed_6nox 1 66 1 1 . . . . . . . . . 12 . HB# parsed_6nox 1 66 1 2 . . . . . . . . . 12 . HE3 parsed_6nox 1 67 1 1 . . . . . . . . . 12 . HB# parsed_6nox 1 67 1 2 . . . . . . . . . 13 . HD# parsed_6nox 1 68 1 1 . . . . . . . . . 12 . HB# parsed_6nox 1 68 1 2 . . . . . . . . . 14 . HN parsed_6nox 1 69 1 1 . . . . . . . . . 12 . HD1 parsed_6nox 1 69 1 2 . . . . . . . . . 13 . HD# parsed_6nox 1 70 1 1 . . . . . . . . . 13 . HB# parsed_6nox 1 70 1 2 . . . . . . . . . 14 . HN parsed_6nox 1 71 1 1 . . . . . . . . . 13 . HD# parsed_6nox 1 71 1 2 . . . . . . . . . 14 . HN parsed_6nox 1 72 1 1 . . . . . . . . . 14 . HN parsed_6nox 1 72 1 2 . . . . . . . . . 14 . HB# parsed_6nox 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.890 1.800 3.980 parsed_6nox 1 2 1 . . . . . 2.890 1.800 3.980 parsed_6nox 1 3 1 . . . . . 2.425 1.800 3.050 parsed_6nox 1 4 1 . . . . . 2.425 1.800 3.050 parsed_6nox 1 5 1 . . . . . 2.985 1.800 4.170 parsed_6nox 1 6 1 . . . . . 2.985 1.800 4.170 parsed_6nox 1 7 1 . . . . . 2.620 1.800 3.440 parsed_6nox 1 8 1 . . . . . 2.625 1.800 3.450 parsed_6nox 1 9 1 . . . . . 2.780 1.800 3.760 parsed_6nox 1 10 1 . . . . . 2.780 1.800 3.760 parsed_6nox 1 11 1 . . . . . 2.525 1.800 3.250 parsed_6nox 1 12 1 . . . . . 2.610 1.800 3.420 parsed_6nox 1 13 1 . . . . . 2.610 1.800 3.420 parsed_6nox 1 14 1 . . . . . 2.440 1.800 3.080 parsed_6nox 1 15 1 . . . . . 2.415 1.800 3.030 parsed_6nox 1 16 1 . . . . . 2.970 1.800 4.140 parsed_6nox 1 17 1 . . . . . 2.970 1.800 4.140 parsed_6nox 1 18 1 . . . . . 2.425 1.800 3.050 parsed_6nox 1 19 1 . . . . . 2.990 1.800 4.180 parsed_6nox 1 20 1 . . . . . 2.990 1.800 4.180 parsed_6nox 1 21 1 . . . . . 3.395 1.800 4.990 parsed_6nox 1 22 1 . . . . . 3.395 1.800 4.990 parsed_6nox 1 23 1 . . . . . 3.260 1.800 4.720 parsed_6nox 1 24 1 . . . . . 2.950 1.800 4.100 parsed_6nox 1 25 1 . . . . . 2.805 1.800 3.810 parsed_6nox 1 26 1 . . . . . 3.375 1.800 4.950 parsed_6nox 1 27 1 . . . . . 2.715 1.800 3.630 parsed_6nox 1 28 1 . . . . . 3.375 1.800 4.950 parsed_6nox 1 29 1 . . . . . 2.990 1.800 4.180 parsed_6nox 1 30 1 . . . . . 3.280 1.800 4.760 parsed_6nox 1 31 1 . . . . . 3.030 1.800 4.260 parsed_6nox 1 32 1 . . . . . 3.060 1.800 4.320 parsed_6nox 1 33 1 . . . . . 3.290 1.800 4.780 parsed_6nox 1 34 1 . . . . . 3.335 1.800 4.870 parsed_6nox 1 35 1 . . . . . 3.650 1.800 5.500 parsed_6nox 1 36 1 . . . . . 3.055 1.800 4.310 parsed_6nox 1 37 1 . . . . . 3.365 1.800 4.930 parsed_6nox 1 38 1 . . . . . 3.185 1.800 4.570 parsed_6nox 1 39 1 . . . . . 3.550 1.800 5.300 parsed_6nox 1 40 1 . . . . . 3.550 1.800 5.300 parsed_6nox 1 41 1 . . . . . 3.260 1.800 4.720 parsed_6nox 1 42 1 . . . . . 2.925 1.800 4.050 parsed_6nox 1 43 1 . . . . . 2.925 1.800 4.050 parsed_6nox 1 44 1 . . . . . 2.625 1.800 3.450 parsed_6nox 1 45 1 . . . . . 3.570 1.800 5.340 parsed_6nox 1 46 1 . . . . . 2.625 1.800 3.450 parsed_6nox 1 47 1 . . . . . 2.825 1.800 3.850 parsed_6nox 1 48 1 . . . . . 2.955 1.800 4.110 parsed_6nox 1 49 1 . . . . . 2.625 1.800 3.450 parsed_6nox 1 50 1 . . . . . 3.410 1.800 5.020 parsed_6nox 1 51 1 . . . . . 3.570 1.800 5.340 parsed_6nox 1 52 1 . . . . . 2.700 1.800 3.600 parsed_6nox 1 53 1 . . . . . 3.330 1.800 4.860 parsed_6nox 1 54 1 . . . . . 2.700 1.800 3.600 parsed_6nox 1 55 1 . . . . . 2.670 1.800 3.540 parsed_6nox 1 56 1 . . . . . 3.295 1.800 4.790 parsed_6nox 1 57 1 . . . . . 2.835 1.800 3.870 parsed_6nox 1 58 1 . . . . . 3.520 1.800 5.240 parsed_6nox 1 59 1 . . . . . 2.395 1.800 2.990 parsed_6nox 1 60 1 . . . . . 2.620 1.800 3.440 parsed_6nox 1 61 1 . . . . . 3.570 1.800 5.340 parsed_6nox 1 62 1 . . . . . 2.760 1.800 3.720 parsed_6nox 1 63 1 . . . . . 2.665 1.800 3.530 parsed_6nox 1 64 1 . . . . . 3.070 1.800 4.340 parsed_6nox 1 65 1 . . . . . 2.505 1.800 3.210 parsed_6nox 1 66 1 . . . . . 2.740 1.800 3.680 parsed_6nox 1 67 1 . . . . . 2.500 1.800 3.200 parsed_6nox 1 68 1 . . . . . 2.705 1.800 3.610 parsed_6nox 1 69 1 . . . . . 3.115 1.800 4.430 parsed_6nox 1 70 1 . . . . . 2.945 1.800 4.090 parsed_6nox 1 71 1 . . . . . 3.075 1.800 4.350 parsed_6nox 1 72 1 . . . . . 2.670 1.800 3.540 parsed_6nox 1 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 "distance restraints" 2 1 2 21 parsed_6nox 1 stop_ loop_ _Dist_constraint_parse_err.ID _Dist_constraint_parse_err.Content _Dist_constraint_parse_err.Begin_line _Dist_constraint_parse_err.Begin_column _Dist_constraint_parse_err.End_line _Dist_constraint_parse_err.End_column _Dist_constraint_parse_err.Entry_ID _Dist_constraint_parse_err.Distance_constraint_list_ID 1 "# Restraints file 1: restraints.tbl" 1 1 1 35 parsed_6nox 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6nox _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.2 -97.2 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6nox 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.9 163.5 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6nox 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.2 -67.8 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6nox 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.4 153.6 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6nox 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.1 -56.7 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6nox 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.6 213.4 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6nox 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.0 -80.8 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6nox 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47.9 137.9 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6nox 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.6 170.6 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6nox 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.9 203.9 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6nox 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.9 -58.9 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6nox 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.8 159.8 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6nox 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.3 -93.9 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6nox 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 162.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6nox 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.7 -45.3 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6nox 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.5 182.3 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6nox 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . SG parsed_6nox 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 6 . N . 6 . CA . 6 . CB . 6 . OG parsed_6nox 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 7 . N . 7 . CA . 7 . CB . 7 . CG parsed_6nox 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 restraints" 1 1 1 21 parsed_6nox 1 stop_ save_
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