NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
623114 | 6b35 | 30347 | cing | 2-parsed | STAR | entry | full | 69 |
data_6b35_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6b35 _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_6b35 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6b35 _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 6b35 "Master copy" parsed_6b35 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6b35 _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 6b35.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6b35 1 1 6b35.mr . . XPLOR/CNS 2 distance NOE simple 60 parsed_6b35 1 1 6b35.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 7 parsed_6b35 1 1 6b35.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 2 parsed_6b35 1 1 6b35.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6b35 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_6b35 _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 ANTIMICROBIAL PROTEIN 20-SEP-17 6B35 *TITLE NMR ENSEMBLE OF TYROCIDINE A ANALOGUE AC3.28 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TYROCIDINE A ANALOGUE D-PHE-BE2-PHE-D-PHE-ASN-LYS-TYR-VAL- *COMPND 3 ORN-LEU; *COMPND 4 CHAIN: A; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: BREVIBACILLUS BREVIS; *SOURCE 4 ORGANISM_TAXID: 1393; *SOURCE 5 OTHER_DETAILS: SYNTHETIC ANALOGUE OF TYROCIDINE A. SEQUENCE IS *SOURCE 6 ALTERED AT 2 POSITIONS RELATIVE TO NATURAL PRODUCT. *KEYWDS TYROCIDINE A ANTIMICROBIAL PEPTIDE AMP CYCLIC PEPTIDE 2-AMINOBENZOIC *KEYWDS 2 ACID 2-ABZ ANTHRANILIC ACID, ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 8 *AUTHOR A.J.CAMERON,P.J.B.EWDARDS,E.HARJES,V.SAROJINI *REVDAT 1 06-DEC-17 6B35 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6b35 _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_6b35 1 2 1 . . . parsed_6b35 1 3 1 . . . parsed_6b35 1 4 1 . . . parsed_6b35 1 5 1 . . . parsed_6b35 1 6 1 . . . parsed_6b35 1 7 1 . . . parsed_6b35 1 8 1 . . . parsed_6b35 1 9 1 . . . parsed_6b35 1 10 1 . . . parsed_6b35 1 11 1 . . . parsed_6b35 1 12 1 . . . parsed_6b35 1 13 1 . . . parsed_6b35 1 14 1 . . . parsed_6b35 1 15 1 . . . parsed_6b35 1 16 1 . . . parsed_6b35 1 17 1 . . . parsed_6b35 1 18 1 . . . parsed_6b35 1 19 1 . . . parsed_6b35 1 20 1 . . . parsed_6b35 1 21 1 . . . parsed_6b35 1 22 1 . . . parsed_6b35 1 23 1 . . . parsed_6b35 1 24 1 . . . parsed_6b35 1 25 1 . . . parsed_6b35 1 26 1 . . . parsed_6b35 1 27 1 . . . parsed_6b35 1 28 1 . . . parsed_6b35 1 29 1 . . . parsed_6b35 1 30 1 . . . parsed_6b35 1 31 1 . . . parsed_6b35 1 32 1 . . . parsed_6b35 1 33 1 . . . parsed_6b35 1 34 1 . . . parsed_6b35 1 35 1 . . . parsed_6b35 1 36 1 . . . parsed_6b35 1 37 1 . . . parsed_6b35 1 38 1 . . . parsed_6b35 1 39 1 . . . parsed_6b35 1 40 1 . . . parsed_6b35 1 41 1 . . . parsed_6b35 1 42 1 . . . parsed_6b35 1 43 1 . . . parsed_6b35 1 44 1 . . . parsed_6b35 1 45 1 . . . parsed_6b35 1 46 1 . . . parsed_6b35 1 47 1 . . . parsed_6b35 1 48 1 . . . parsed_6b35 1 49 1 . . . parsed_6b35 1 50 1 . . . parsed_6b35 1 51 1 . . . parsed_6b35 1 52 1 . . . parsed_6b35 1 53 1 . . . parsed_6b35 1 54 1 . . . parsed_6b35 1 55 1 . . . parsed_6b35 1 56 1 . . . parsed_6b35 1 57 1 . . . parsed_6b35 1 58 1 . . . parsed_6b35 1 59 1 . . . parsed_6b35 1 60 1 . . . parsed_6b35 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 . . . . . . . . . 9 . HN parsed_6b35 1 1 1 2 . . . . . . . . . 8 . HA parsed_6b35 1 2 1 1 . . . . . . . . . 8 . HN parsed_6b35 1 2 1 2 . . . . . . . . . 8 . HA parsed_6b35 1 3 1 1 . . . . . . . . . 7 . HB1 parsed_6b35 1 3 1 2 . . . . . . . . . 7 . HA parsed_6b35 1 4 1 1 . . . . . . . . . 7 . HB2 parsed_6b35 1 4 1 2 . . . . . . . . . 7 . HA parsed_6b35 1 5 1 1 . . . . . . . . . 8 . HN parsed_6b35 1 5 1 2 . . . . . . . . . 7 . HA parsed_6b35 1 6 1 1 . . . . . . . . . 7 . HN parsed_6b35 1 6 1 2 . . . . . . . . . 6 . HA parsed_6b35 1 7 1 1 . . . . . . . . . 6 . HN parsed_6b35 1 7 1 2 . . . . . . . . . 6 . HA parsed_6b35 1 8 1 1 . . . . . . . . . 5 . HA parsed_6b35 1 8 1 2 . . . . . . . . . 6 . HN parsed_6b35 1 9 1 1 . . . . . . . . . 5 . HA parsed_6b35 1 9 1 2 . . . . . . . . . 5 . HN parsed_6b35 1 10 1 1 . . . . . . . . . 1 . HN parsed_6b35 1 10 1 2 . . . . . . . . . 1 . HA parsed_6b35 1 11 1 1 . . . . . . . . . 1 . HN parsed_6b35 1 11 1 2 . . . . . . . . . 10 . HA parsed_6b35 1 12 1 1 . . . . . . . . . 1 . HB1 parsed_6b35 1 12 1 2 . . . . . . . . . 1 . HN parsed_6b35 1 13 1 1 . . . . . . . . . 10 . HB1 parsed_6b35 1 13 1 1 . . . . . . . . . 10 . HB2 parsed_6b35 1 13 1 2 . . . . . . . . . 1 . HN parsed_6b35 1 14 1 1 . . . . . . . . . 1 . HN parsed_6b35 1 14 1 2 . . . . . . . . . 2 . H parsed_6b35 1 15 1 1 . . . . . . . . . 1 . HA parsed_6b35 1 15 1 2 . . . . . . . . . 2 . H parsed_6b35 1 16 1 1 . . . . . . . . . 1 . HB2 parsed_6b35 1 16 1 2 . . . . . . . . . 2 . H parsed_6b35 1 17 1 1 . . . . . . . . . 2 . H parsed_6b35 1 17 1 2 . . . . . . . . . 1 . HB1 parsed_6b35 1 18 1 1 . . . . . . . . . 1 . HB1 parsed_6b35 1 18 1 1 . . . . . . . . . 4 . HB2 parsed_6b35 1 18 1 2 . . . . . . . . . 2 . H parsed_6b35 1 19 1 1 . . . . . . . . . 8 . HN parsed_6b35 1 19 1 2 . . . . . . . . . 7 . HB1 parsed_6b35 1 20 1 1 . . . . . . . . . 7 . HB2 parsed_6b35 1 20 1 2 . . . . . . . . . 8 . HN parsed_6b35 1 21 1 1 . . . . . . . . . 8 . HN parsed_6b35 1 21 1 2 . . . . . . . . . 8 . HG1# parsed_6b35 1 21 1 2 . . . . . . . . . 8 . HG2# parsed_6b35 1 22 1 1 . . . . . . . . . 8 . HB parsed_6b35 1 22 1 2 . . . . . . . . . 8 . HN parsed_6b35 1 23 1 1 . . . . . . . . . 5 . HN parsed_6b35 1 23 1 2 . . . . . . . . . 4 . HB1 parsed_6b35 1 24 1 1 . . . . . . . . . 5 . HN parsed_6b35 1 24 1 2 . . . . . . . . . 5 . HB1 parsed_6b35 1 25 1 1 . . . . . . . . . 5 . HN parsed_6b35 1 25 1 2 . . . . . . . . . 5 . HB2 parsed_6b35 1 26 1 1 . . . . . . . . . 10 . HN parsed_6b35 1 26 1 2 . . . . . . . . . 10 . HB1 parsed_6b35 1 26 1 2 . . . . . . . . . 10 . HB2 parsed_6b35 1 27 1 1 . . . . . . . . . 5 . HN parsed_6b35 1 27 1 2 . . . . . . . . . 8 . HB parsed_6b35 1 28 1 1 . . . . . . . . . 5 . HN parsed_6b35 1 28 1 2 . . . . . . . . . 9 . HA parsed_6b35 1 29 1 1 . . . . . . . . . 10 . HN parsed_6b35 1 29 1 2 . . . . . . . . . 10 . HA parsed_6b35 1 30 1 1 . . . . . . . . . 4 . HA parsed_6b35 1 30 1 2 . . . . . . . . . 10 . HN parsed_6b35 1 31 1 1 . . . . . . . . . 7 . HD# parsed_6b35 1 31 1 2 . . . . . . . . . 7 . HB2 parsed_6b35 1 32 1 1 . . . . . . . . . 7 . HB1 parsed_6b35 1 32 1 2 . . . . . . . . . 7 . HD# parsed_6b35 1 33 1 1 . . . . . . . . . 5 . HD22 parsed_6b35 1 33 1 2 . . . . . . . . . 8 . HG1# parsed_6b35 1 33 1 2 . . . . . . . . . 8 . HG2# parsed_6b35 1 34 1 1 . . . . . . . . . 5 . HD22 parsed_6b35 1 34 1 2 . . . . . . . . . 5 . HB2 parsed_6b35 1 35 1 1 . . . . . . . . . 5 . HN parsed_6b35 1 35 1 2 . . . . . . . . . 4 . HA parsed_6b35 1 36 1 1 . . . . . . . . . 4 . HA parsed_6b35 1 36 1 2 . . . . . . . . . 4 . HN parsed_6b35 1 37 1 1 . . . . . . . . . 3 . HA parsed_6b35 1 37 1 2 . . . . . . . . . 4 . HN parsed_6b35 1 38 1 1 . . . . . . . . . 4 . HA parsed_6b35 1 38 1 2 . . . . . . . . . 9 . HA parsed_6b35 1 39 1 1 . . . . . . . . . 1 . HB2 parsed_6b35 1 39 1 2 . . . . . . . . . 1 . HA parsed_6b35 1 40 1 1 . . . . . . . . . 4 . HA parsed_6b35 1 40 1 2 . . . . . . . . . 4 . HB1 parsed_6b35 1 40 1 2 . . . . . . . . . 4 . HB2 parsed_6b35 1 41 1 1 . . . . . . . . . 5 . HB1 parsed_6b35 1 41 1 2 . . . . . . . . . 5 . HA parsed_6b35 1 42 1 1 . . . . . . . . . 5 . HA parsed_6b35 1 42 1 2 . . . . . . . . . 5 . HB2 parsed_6b35 1 43 1 1 . . . . . . . . . 8 . HB parsed_6b35 1 43 1 2 . . . . . . . . . 8 . HA parsed_6b35 1 44 1 1 . . . . . . . . . 9 . HB1 parsed_6b35 1 44 1 2 . . . . . . . . . 9 . HA parsed_6b35 1 45 1 1 . . . . . . . . . 9 . HB2 parsed_6b35 1 45 1 2 . . . . . . . . . 9 . HA parsed_6b35 1 46 1 1 . . . . . . . . . 9 . HG1 parsed_6b35 1 46 1 1 . . . . . . . . . 9 . HG2 parsed_6b35 1 46 1 2 . . . . . . . . . 9 . HA parsed_6b35 1 47 1 1 . . . . . . . . . 10 . HB1 parsed_6b35 1 47 1 1 . . . . . . . . . 10 . HB2 parsed_6b35 1 47 1 2 . . . . . . . . . 10 . HA parsed_6b35 1 48 1 1 . . . . . . . . . 10 . HD1# parsed_6b35 1 48 1 2 . . . . . . . . . 10 . HA parsed_6b35 1 49 1 1 . . . . . . . . . 10 . HD2# parsed_6b35 1 49 1 2 . . . . . . . . . 10 . HA parsed_6b35 1 50 1 1 . . . . . . . . . 8 . HG1# parsed_6b35 1 50 1 1 . . . . . . . . . 8 . HG2# parsed_6b35 1 50 1 2 . . . . . . . . . 8 . HA parsed_6b35 1 51 1 1 . . . . . . . . . 1 . HB1 parsed_6b35 1 51 1 2 . . . . . . . . . 1 . HB2 parsed_6b35 1 52 1 1 . . . . . . . . . 5 . HB1 parsed_6b35 1 52 1 2 . . . . . . . . . 5 . HB2 parsed_6b35 1 53 1 1 . . . . . . . . . 1 . HN parsed_6b35 1 53 1 2 . . . . . . . . . 1 . HB2 parsed_6b35 1 54 1 1 . . . . . . . . . 5 . HD21 parsed_6b35 1 54 1 2 . . . . . . . . . 5 . HD22 parsed_6b35 1 55 1 1 . . . . . . . . . 7 . HD# parsed_6b35 1 55 1 2 . . . . . . . . . 7 . HA parsed_6b35 1 56 1 1 . . . . . . . . . 5 . HB2 parsed_6b35 1 56 1 2 . . . . . . . . . 5 . HD21 parsed_6b35 1 57 1 1 . . . . . . . . . 9 . HB2 parsed_6b35 1 57 1 2 . . . . . . . . . 10 . HN parsed_6b35 1 58 1 1 . . . . . . . . . 9 . HB1 parsed_6b35 1 58 1 2 . . . . . . . . . 10 . HN parsed_6b35 1 59 1 1 . . . . . . . . . 9 . HG1 parsed_6b35 1 59 1 1 . . . . . . . . . 9 . HG2 parsed_6b35 1 59 1 2 . . . . . . . . . 9 . HE# parsed_6b35 1 60 1 1 . . . . . . . . . 8 . HN parsed_6b35 1 60 1 2 . . . . . . . . . 5 . HN parsed_6b35 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 4903186.000 . . 2.3 1.8 2.8 parsed_6b35 1 2 1 . 3 1227286.000 . . 2.9 2.3 3.5 parsed_6b35 1 3 1 . 4 3428384.000 . . 2.4 1.9 2.9 parsed_6b35 1 4 1 . 5 1155052.000 . . 2.9 2.3 3.5 parsed_6b35 1 5 1 . 6 858302.000 . . 3.1 2.5 3.7 parsed_6b35 1 6 1 . 7 985998.000 . . 3.0 2.4 3.6 parsed_6b35 1 7 1 . 8 2039522.000 . . 2.7 2.2 3.2 parsed_6b35 1 8 1 . 9 3391552.000 . . 2.4 1.9 2.9 parsed_6b35 1 9 1 . 10 1140856.000 . . 2.9 2.3 3.5 parsed_6b35 1 10 1 . 12 1294344.000 . . 2.9 2.3 3.5 parsed_6b35 1 11 1 . 13 4879244.000 . . 2.3 1.8 2.8 parsed_6b35 1 12 1 . 15 3091294.000 . . 2.5 2.0 3.0 parsed_6b35 1 13 1 . 17 1135016.000 . . 2.9 2.3 3.5 parsed_6b35 1 14 1 . 18 431082.000 . . 3.4 2.7 4.1 parsed_6b35 1 15 1 . 21 515044.000 . . 3.0 2.4 3.6 parsed_6b35 1 16 1 . 22 216522.000 . . 3.9 3.1 4.7 parsed_6b35 1 17 1 . 23 221508.000 . . 3.8 3.0 4.6 parsed_6b35 1 18 1 . 24 119304.000 . . 4.3 3.4 5.2 parsed_6b35 1 19 1 . 26 334110.000 . . 3.6 2.9 4.3 parsed_6b35 1 20 1 . 27 916942.000 . . 3.0 2.4 3.6 parsed_6b35 1 21 1 . 32 1313552.000 . . 2.8 2.2 3.4 parsed_6b35 1 22 1 . 33 1307178.000 . . 2.9 2.3 3.5 parsed_6b35 1 23 1 . 34 683268.000 . . 3.2 2.6 3.8 parsed_6b35 1 24 1 . 35 298712.000 . . 3.7 3.0 4.4 parsed_6b35 1 25 1 . 36 606528.000 . . 3.3 2.6 4.0 parsed_6b35 1 26 1 . 38 2163700.000 . . 2.6 2.1 3.1 parsed_6b35 1 27 1 . 39 88028.000 . . 4.5 3.6 5.4 parsed_6b35 1 28 1 . 40 169932.000 . . 4.0 3.2 4.8 parsed_6b35 1 29 1 . 41 4180560.000 . . 2.4 1.9 2.9 parsed_6b35 1 30 1 . 42 417724.000 . . 3.5 2.8 4.2 parsed_6b35 1 31 1 . 44 3656996.000 . . 2.4 1.9 2.9 parsed_6b35 1 32 1 . 47 2001062.000 . . 2.5 2.0 3.0 parsed_6b35 1 33 1 . 49 325096.000 . . 3.6 2.9 4.3 parsed_6b35 1 34 1 . 50 162536.000 . . 4.1 3.3 4.9 parsed_6b35 1 35 1 . 51 2891980.000 . . 2.4 1.9 2.9 parsed_6b35 1 36 1 . 53 919118.000 . . 2.8 2.2 3.4 parsed_6b35 1 37 1 . 56 4848864.000 . . 2.3 1.8 2.8 parsed_6b35 1 38 1 . 58 1048788.000 . . 3.0 2.4 3.6 parsed_6b35 1 39 1 . 59 1448132.000 . . 2.6 2.1 3.1 parsed_6b35 1 40 1 . 61 3559812.000 . . 2.4 1.9 2.9 parsed_6b35 1 41 1 . 64 2267408.000 . . 2.6 2.1 3.1 parsed_6b35 1 42 1 . 66 2954682.000 . . 2.5 2.0 3.0 parsed_6b35 1 43 1 . 67 1969190.000 . . 2.7 2.2 3.2 parsed_6b35 1 44 1 . 68 1637178.000 . . 2.8 2.2 3.4 parsed_6b35 1 45 1 . 69 1075826.000 . . 3.0 2.4 3.6 parsed_6b35 1 46 1 . 70 1567608.000 . . 2.8 2.2 3.4 parsed_6b35 1 47 1 . 71 5026326.000 . . 2.3 1.8 2.8 parsed_6b35 1 48 1 . 72 2735600.000 . . 2.5 2.0 3.0 parsed_6b35 1 49 1 . 73 1309090.000 . . 2.9 2.3 3.5 parsed_6b35 1 50 1 . 74 4018462.000 . . 2.4 1.9 2.9 parsed_6b35 1 51 1 . 76 21548916.000 . . 1.8 1.7 2.2 parsed_6b35 1 52 1 . 78 9168116.000 . . 2.0 1.7 2.4 parsed_6b35 1 53 1 . 79 381134.000 . . 3.5 2.8 4.2 parsed_6b35 1 54 1 . 83 2133158.000 . . 2.6 2.1 3.1 parsed_6b35 1 55 1 . 84 3189722.000 . . 2.5 2.0 3.0 parsed_6b35 1 56 1 . 85 1145826.000 . . 2.8 2.2 3.4 parsed_6b35 1 57 1 . 88 288090.000 . . 3.7 3.0 4.4 parsed_6b35 1 58 1 . 89 269390.000 . . 3.6 2.9 4.3 parsed_6b35 1 59 1 . 91 682938.000 . . 3.2 2.6 3.8 parsed_6b35 1 60 1 . 93 130746.000 . . 4.0 3.2 4.8 parsed_6b35 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: ensemble.tbl" 1 1 1 33 parsed_6b35 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6b35 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155 -85 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6b35 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6b35 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6b35 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6b35 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -95.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6b35 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -95.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6b35 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -95.0 . . 10 . C . 10 . N . 1 . CA . 1 . C parsed_6b35 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 ; dihed dyhed ; 1 1 2 7 parsed_6b35 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6b35 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _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_6b35 2 2 1 . . . parsed_6b35 2 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 . . . . . . . . . 8 . C parsed_6b35 2 1 1 2 . . . . . . . . . 5 . N parsed_6b35 2 2 1 1 . . . . . . . . . 8 . O parsed_6b35 2 2 1 2 . . . . . . . . . 5 . HN parsed_6b35 2 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 . . . . . 2.85 1.70 4.00 parsed_6b35 2 2 1 . . . . . 1.9 1.8 2.0 parsed_6b35 2 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 hbond 1 1 1 7 parsed_6b35 2 stop_ save_
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