NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
623104 | 6b34 | 30346 | cing | 2-parsed | STAR | entry | full | 81 |
data_6b34_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6b34 _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_6b34 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6b34 _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 6b34 "Master copy" parsed_6b34 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6b34 _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 6b34.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6b34 1 1 6b34.mr . . XPLOR/CNS 2 distance NOE simple 70 parsed_6b34 1 1 6b34.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 2 parsed_6b34 1 1 6b34.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 9 parsed_6b34 1 1 6b34.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6b34 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_6b34 _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 6B34 *TITLE NMR ENSEMBLE OF TYROCIDINE A ANALOGUE AC3.27 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TYROCIDINE A ANALOGUE D-PHE-BE2-PHE-D-PHE-ASN-GLN-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 9 *AUTHOR A.J.CAMERON,P.J.B.EWDARDS,E.HARJES,V.SAROJINI *REVDAT 1 06-DEC-17 6B34 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6b34 _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_6b34 1 2 1 . . . parsed_6b34 1 3 1 . . . parsed_6b34 1 4 1 . . . parsed_6b34 1 5 1 . . . parsed_6b34 1 6 1 . . . parsed_6b34 1 7 1 . . . parsed_6b34 1 8 1 . . . parsed_6b34 1 9 1 . . . parsed_6b34 1 10 1 . . . parsed_6b34 1 11 1 . . . parsed_6b34 1 12 1 . . . parsed_6b34 1 13 1 . . . parsed_6b34 1 14 1 . . . parsed_6b34 1 15 1 . . . parsed_6b34 1 16 1 . . . parsed_6b34 1 17 1 . . . parsed_6b34 1 18 1 . . . parsed_6b34 1 19 1 . . . parsed_6b34 1 20 1 . . . parsed_6b34 1 21 1 . . . parsed_6b34 1 22 1 . . . parsed_6b34 1 23 1 . . . parsed_6b34 1 24 1 . . . parsed_6b34 1 25 1 . . . parsed_6b34 1 26 1 . . . parsed_6b34 1 27 1 . . . parsed_6b34 1 28 1 . . . parsed_6b34 1 29 1 . . . parsed_6b34 1 30 1 . . . parsed_6b34 1 31 1 . . . parsed_6b34 1 32 1 . . . parsed_6b34 1 33 1 . . . parsed_6b34 1 34 1 . . . parsed_6b34 1 35 1 . . . parsed_6b34 1 36 1 . . . parsed_6b34 1 37 1 . . . parsed_6b34 1 38 1 . . . parsed_6b34 1 39 1 . . . parsed_6b34 1 40 1 . . . parsed_6b34 1 41 1 . . . parsed_6b34 1 42 1 . . . parsed_6b34 1 43 1 . . . parsed_6b34 1 44 1 . . . parsed_6b34 1 45 1 . . . parsed_6b34 1 46 1 . . . parsed_6b34 1 47 1 . . . parsed_6b34 1 48 1 . . . parsed_6b34 1 49 1 . . . parsed_6b34 1 50 1 . . . parsed_6b34 1 51 1 . . . parsed_6b34 1 52 1 . . . parsed_6b34 1 53 1 . . . parsed_6b34 1 54 1 . . . parsed_6b34 1 55 1 . . . parsed_6b34 1 56 1 . . . parsed_6b34 1 57 1 . . . parsed_6b34 1 58 1 . . . parsed_6b34 1 59 1 . . . parsed_6b34 1 60 1 . . . parsed_6b34 1 61 1 . . . parsed_6b34 1 62 1 . . . parsed_6b34 1 63 1 . . . parsed_6b34 1 64 1 . . . parsed_6b34 1 65 1 . . . parsed_6b34 1 66 1 . . . parsed_6b34 1 67 1 . . . parsed_6b34 1 68 1 . . . parsed_6b34 1 69 1 . . . parsed_6b34 1 70 1 . . . parsed_6b34 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 . H parsed_6b34 1 1 1 2 . . . . . . . . . 1 . HN parsed_6b34 1 2 1 1 . . . . . . . . . 7 . HD# parsed_6b34 1 2 1 2 . . . . . . . . . 7 . HE# parsed_6b34 1 3 1 1 . . . . . . . . . 2 . H parsed_6b34 1 3 1 2 . . . . . . . . . 1 . HA parsed_6b34 1 4 1 1 . . . . . . . . . 4 . HA parsed_6b34 1 4 1 2 . . . . . . . . . 9 . HA parsed_6b34 1 5 1 1 . . . . . . . . . 5 . HN parsed_6b34 1 5 1 2 . . . . . . . . . 8 . HN parsed_6b34 1 6 1 1 . . . . . . . . . 7 . HD# parsed_6b34 1 6 1 2 . . . . . . . . . 7 . HN parsed_6b34 1 7 1 1 . . . . . . . . . 8 . HN parsed_6b34 1 7 1 2 . . . . . . . . . 7 . HN parsed_6b34 1 8 1 1 . . . . . . . . . 8 . HN parsed_6b34 1 8 1 2 . . . . . . . . . 7 . HA parsed_6b34 1 9 1 1 . . . . . . . . . 7 . HN parsed_6b34 1 9 1 2 . . . . . . . . . 6 . HA parsed_6b34 1 10 1 1 . . . . . . . . . 9 . HN parsed_6b34 1 10 1 2 . . . . . . . . . 8 . HA parsed_6b34 1 11 1 1 . . . . . . . . . 4 . HA parsed_6b34 1 11 1 2 . . . . . . . . . 5 . HN parsed_6b34 1 12 1 1 . . . . . . . . . 5 . HN parsed_6b34 1 12 1 2 . . . . . . . . . 9 . HA parsed_6b34 1 13 1 1 . . . . . . . . . 2 . H parsed_6b34 1 13 1 2 . . . . . . . . . 1 . HB2 parsed_6b34 1 14 1 1 . . . . . . . . . 2 . H parsed_6b34 1 14 1 2 . . . . . . . . . 1 . HB1 parsed_6b34 1 15 1 1 . . . . . . . . . 6 . HA parsed_6b34 1 15 1 2 . . . . . . . . . 6 . HN parsed_6b34 1 16 1 1 . . . . . . . . . 10 . HN parsed_6b34 1 16 1 2 . . . . . . . . . 9 . HA parsed_6b34 1 17 1 1 . . . . . . . . . 9 . HN parsed_6b34 1 17 1 2 . . . . . . . . . 9 . HA parsed_6b34 1 18 1 1 . . . . . . . . . 10 . HN parsed_6b34 1 18 1 2 . . . . . . . . . 10 . HA parsed_6b34 1 19 1 1 . . . . . . . . . 6 . HN parsed_6b34 1 19 1 2 . . . . . . . . . 5 . HA parsed_6b34 1 20 1 1 . . . . . . . . . 5 . HN parsed_6b34 1 20 1 2 . . . . . . . . . 5 . HA parsed_6b34 1 21 1 1 . . . . . . . . . 3 . HN parsed_6b34 1 21 1 2 . . . . . . . . . 3 . HA parsed_6b34 1 22 1 1 . . . . . . . . . 4 . HA parsed_6b34 1 22 1 2 . . . . . . . . . 4 . HN parsed_6b34 1 23 1 1 . . . . . . . . . 3 . HA parsed_6b34 1 23 1 2 . . . . . . . . . 4 . HN parsed_6b34 1 24 1 1 . . . . . . . . . 6 . HG2 parsed_6b34 1 24 1 2 . . . . . . . . . 6 . HE22 parsed_6b34 1 25 1 1 . . . . . . . . . 5 . HD21 parsed_6b34 1 25 1 2 . . . . . . . . . 5 . HB1 parsed_6b34 1 26 1 1 . . . . . . . . . 5 . HD21 parsed_6b34 1 26 1 2 . . . . . . . . . 5 . HD22 parsed_6b34 1 27 1 1 . . . . . . . . . 6 . HE22 parsed_6b34 1 27 1 2 . . . . . . . . . 6 . HG1 parsed_6b34 1 28 1 1 . . . . . . . . . 8 . HB parsed_6b34 1 28 1 2 . . . . . . . . . 8 . HN parsed_6b34 1 29 1 1 . . . . . . . . . 1 . HB2 parsed_6b34 1 29 1 2 . . . . . . . . . 1 . HA parsed_6b34 1 30 1 1 . . . . . . . . . 4 . HB2 parsed_6b34 1 30 1 2 . . . . . . . . . 4 . HA parsed_6b34 1 31 1 1 . . . . . . . . . 1 . HB2 parsed_6b34 1 31 1 2 . . . . . . . . . 1 . HB1 parsed_6b34 1 32 1 1 . . . . . . . . . 2 . H parsed_6b34 1 32 1 2 . . . . . . . . . 2 . H3 parsed_6b34 1 33 1 1 . . . . . . . . . 3 . HN parsed_6b34 1 33 1 2 . . . . . . . . . 2 . H parsed_6b34 1 34 1 1 . . . . . . . . . 5 . HB1 parsed_6b34 1 34 1 2 . . . . . . . . . 5 . HN parsed_6b34 1 35 1 1 . . . . . . . . . 5 . HN parsed_6b34 1 35 1 2 . . . . . . . . . 4 . HB2 parsed_6b34 1 36 1 1 . . . . . . . . . 9 . HN parsed_6b34 1 36 1 2 . . . . . . . . . 8 . HN parsed_6b34 1 37 1 1 . . . . . . . . . 3 . HB2 parsed_6b34 1 37 1 2 . . . . . . . . . 3 . HN parsed_6b34 1 38 1 1 . . . . . . . . . 2 . H6 parsed_6b34 1 38 1 2 . . . . . . . . . 3 . HN parsed_6b34 1 39 1 1 . . . . . . . . . 8 . HN parsed_6b34 1 39 1 2 . . . . . . . . . 8 . HA parsed_6b34 1 40 1 1 . . . . . . . . . 7 . HB2 parsed_6b34 1 40 1 2 . . . . . . . . . 8 . HN parsed_6b34 1 41 1 1 . . . . . . . . . 8 . HN parsed_6b34 1 41 1 2 . . . . . . . . . 7 . HB1 parsed_6b34 1 42 1 1 . . . . . . . . . 8 . HN parsed_6b34 1 42 1 2 . . . . . . . . . 8 . HG1# parsed_6b34 1 42 1 2 . . . . . . . . . 8 . HG2# parsed_6b34 1 43 1 1 . . . . . . . . . 7 . HD# parsed_6b34 1 43 1 2 . . . . . . . . . 7 . HA parsed_6b34 1 44 1 1 . . . . . . . . . 7 . HB1 parsed_6b34 1 44 1 2 . . . . . . . . . 7 . HD# parsed_6b34 1 45 1 1 . . . . . . . . . 7 . HD# parsed_6b34 1 45 1 2 . . . . . . . . . 7 . HB2 parsed_6b34 1 46 1 1 . . . . . . . . . 7 . HD# parsed_6b34 1 46 1 2 . . . . . . . . . 6 . HB1 parsed_6b34 1 46 1 2 . . . . . . . . . 6 . HB2 parsed_6b34 1 47 1 1 . . . . . . . . . 7 . HE# parsed_6b34 1 47 1 2 . . . . . . . . . 6 . HB1 parsed_6b34 1 47 1 2 . . . . . . . . . 6 . HB2 parsed_6b34 1 48 1 1 . . . . . . . . . 6 . HE21 parsed_6b34 1 48 1 2 . . . . . . . . . 6 . HB1 parsed_6b34 1 48 1 2 . . . . . . . . . 6 . HB2 parsed_6b34 1 49 1 1 . . . . . . . . . 8 . HG1# parsed_6b34 1 49 1 1 . . . . . . . . . 8 . HG2# parsed_6b34 1 49 1 2 . . . . . . . . . 5 . HD22 parsed_6b34 1 50 1 1 . . . . . . . . . 8 . HG1# parsed_6b34 1 50 1 1 . . . . . . . . . 8 . HG2# parsed_6b34 1 50 1 2 . . . . . . . . . 9 . HN parsed_6b34 1 51 1 1 . . . . . . . . . 4 . HA parsed_6b34 1 51 1 2 . . . . . . . . . 4 . HB1 parsed_6b34 1 52 1 1 . . . . . . . . . 5 . HB1 parsed_6b34 1 52 1 2 . . . . . . . . . 5 . HA parsed_6b34 1 53 1 1 . . . . . . . . . 5 . HA parsed_6b34 1 53 1 2 . . . . . . . . . 5 . HB2 parsed_6b34 1 54 1 1 . . . . . . . . . 6 . HG2 parsed_6b34 1 54 1 2 . . . . . . . . . 6 . HA parsed_6b34 1 55 1 1 . . . . . . . . . 6 . HG1 parsed_6b34 1 55 1 2 . . . . . . . . . 6 . HA parsed_6b34 1 56 1 1 . . . . . . . . . 6 . HB1 parsed_6b34 1 56 1 1 . . . . . . . . . 6 . HB2 parsed_6b34 1 56 1 2 . . . . . . . . . 6 . HA parsed_6b34 1 57 1 1 . . . . . . . . . 3 . HB2 parsed_6b34 1 57 1 2 . . . . . . . . . 3 . HA parsed_6b34 1 58 1 1 . . . . . . . . . 3 . HB1 parsed_6b34 1 58 1 2 . . . . . . . . . 3 . HA parsed_6b34 1 59 1 1 . . . . . . . . . 1 . HN parsed_6b34 1 59 1 2 . . . . . . . . . 1 . HB2 parsed_6b34 1 60 1 1 . . . . . . . . . 9 . HB1 parsed_6b34 1 60 1 2 . . . . . . . . . 9 . HA parsed_6b34 1 61 1 1 . . . . . . . . . 9 . HB2 parsed_6b34 1 61 1 2 . . . . . . . . . 9 . HA parsed_6b34 1 62 1 1 . . . . . . . . . 9 . HG1 parsed_6b34 1 62 1 1 . . . . . . . . . 9 . HG2 parsed_6b34 1 62 1 2 . . . . . . . . . 9 . HA parsed_6b34 1 63 1 1 . . . . . . . . . 8 . HG1# parsed_6b34 1 63 1 1 . . . . . . . . . 8 . HG2# parsed_6b34 1 63 1 2 . . . . . . . . . 8 . HA parsed_6b34 1 64 1 1 . . . . . . . . . 7 . HB2 parsed_6b34 1 64 1 2 . . . . . . . . . 7 . HA parsed_6b34 1 65 1 1 . . . . . . . . . 7 . HB1 parsed_6b34 1 65 1 2 . . . . . . . . . 7 . HA parsed_6b34 1 66 1 1 . . . . . . . . . 8 . HB parsed_6b34 1 66 1 2 . . . . . . . . . 8 . HA parsed_6b34 1 67 1 1 . . . . . . . . . 10 . HB1 parsed_6b34 1 67 1 1 . . . . . . . . . 10 . HB2 parsed_6b34 1 67 1 2 . . . . . . . . . 10 . HA parsed_6b34 1 68 1 1 . . . . . . . . . 10 . HD1# parsed_6b34 1 68 1 2 . . . . . . . . . 10 . HA parsed_6b34 1 69 1 1 . . . . . . . . . 10 . HD2# parsed_6b34 1 69 1 2 . . . . . . . . . 10 . HA parsed_6b34 1 70 1 1 . . . . . . . . . 10 . HN parsed_6b34 1 70 1 2 . . . . . . . . . 4 . HA parsed_6b34 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 . 1 445692.000 . . 3.5 2.8 4.2 parsed_6b34 1 2 1 . 2 8791792.000 . . 2.1 1.7 2.5 parsed_6b34 1 3 1 . 4 1210024.000 . . 3.0 2.4 3.6 parsed_6b34 1 4 1 . 5 1168156.000 . . 3.0 2.4 3.6 parsed_6b34 1 5 1 . 6 301932.000 . . 3.7 3.0 4.4 parsed_6b34 1 6 1 . 8 1222296.000 . . 3.0 2.4 3.6 parsed_6b34 1 7 1 . 10 2554864.000 . . 2.6 2.1 3.1 parsed_6b34 1 8 1 . 12 1070252.000 . . 3.0 2.4 3.6 parsed_6b34 1 9 1 . 13 1359944.000 . . 2.9 2.3 3.5 parsed_6b34 1 10 1 . 14 6619096.000 . . 2.2 1.8 2.6 parsed_6b34 1 11 1 . 15 5434972.000 . . 2.3 1.8 2.8 parsed_6b34 1 12 1 . 16 247604.000 . . 3.9 3.1 4.7 parsed_6b34 1 13 1 . 17 342460.000 . . 3.7 3.0 4.4 parsed_6b34 1 14 1 . 18 249712.000 . . 3.9 3.1 4.7 parsed_6b34 1 15 1 . 21 462584.000 . . 2.8 2.2 3.4 parsed_6b34 1 16 1 . 22 4918480.000 . . 2.3 1.8 2.8 parsed_6b34 1 17 1 . 23 1755424.000 . . 2.8 2.2 3.4 parsed_6b34 1 18 1 . 24 4343476.000 . . 2.4 1.9 2.9 parsed_6b34 1 19 1 . 25 3598736.000 . . 2.5 2.0 3.0 parsed_6b34 1 20 1 . 27 1423016.000 . . 2.9 2.3 3.5 parsed_6b34 1 21 1 . 29 4950144.000 . . 2.3 1.8 2.8 parsed_6b34 1 22 1 . 30 1852408.000 . . 2.8 2.2 3.4 parsed_6b34 1 23 1 . 31 2016224.000 . . 2.3 1.8 2.8 parsed_6b34 1 24 1 . 36 1455012.000 . . 2.9 2.3 3.5 parsed_6b34 1 25 1 . 38 1610460.000 . . 2.7 2.2 3.2 parsed_6b34 1 26 1 . 39 2144252.000 . . 2.7 2.2 3.2 parsed_6b34 1 27 1 . 43 1247044.000 . . 3.0 2.4 3.6 parsed_6b34 1 28 1 . 44 1997828.000 . . 2.7 2.2 3.2 parsed_6b34 1 29 1 . 46 1542120.000 . . 2.5 2.0 3.0 parsed_6b34 1 30 1 . 48 2328412.000 . . 2.6 2.1 3.1 parsed_6b34 1 31 1 . 50 24467932.000 . . 1.8 1.7 2.2 parsed_6b34 1 32 1 . 52 169664.000 . . 4.1 3.3 4.9 parsed_6b34 1 33 1 . 54 155380.000 . . 4.2 3.4 5.0 parsed_6b34 1 34 1 . 56 1004252.000 . . 3.1 2.5 3.7 parsed_6b34 1 35 1 . 57 770736.000 . . 3.1 2.5 3.7 parsed_6b34 1 36 1 . 59 514424.000 . . 3.4 2.7 4.1 parsed_6b34 1 37 1 . 60 2232084.000 . . 2.7 2.2 3.2 parsed_6b34 1 38 1 . 62 4365776.000 . . 2.4 1.9 2.9 parsed_6b34 1 39 1 . 63 1392028.000 . . 2.9 2.3 3.5 parsed_6b34 1 40 1 . 65 1449916.000 . . 2.9 2.3 3.5 parsed_6b34 1 41 1 . 66 637232.000 . . 3.3 2.6 4.0 parsed_6b34 1 42 1 . 69 1913220.000 . . 2.7 2.2 3.2 parsed_6b34 1 43 1 . 71 4694540.000 . . 2.4 1.9 2.9 parsed_6b34 1 44 1 . 72 3819204.000 . . 2.5 2.0 3.0 parsed_6b34 1 45 1 . 73 5002460.000 . . 2.3 1.8 2.8 parsed_6b34 1 46 1 . 76 435640.000 . . 3.5 2.8 4.2 parsed_6b34 1 47 1 . 77 215780.000 . . 4.0 3.2 4.8 parsed_6b34 1 48 1 . 78 212956.000 . . 4.0 3.2 4.8 parsed_6b34 1 49 1 . 80 462616.000 . . 3.5 2.8 4.2 parsed_6b34 1 50 1 . 81 650900.000 . . 3.3 2.6 4.0 parsed_6b34 1 51 1 . 82 1123064.000 . . 2.9 2.3 3.5 parsed_6b34 1 52 1 . 84 1373628.000 . . 2.4 1.9 2.9 parsed_6b34 1 53 1 . 85 1167588.000 . . 2.4 1.9 2.9 parsed_6b34 1 54 1 . 88 1324900.000 . . 2.9 2.3 3.5 parsed_6b34 1 55 1 . 89 1510180.000 . . 2.9 2.3 3.5 parsed_6b34 1 56 1 . 91 1663308.000 . . 2.2 1.8 2.6 parsed_6b34 1 57 1 . 92 4081788.000 . . 2.4 1.9 2.9 parsed_6b34 1 58 1 . 93 3344764.000 . . 2.5 2.0 3.0 parsed_6b34 1 59 1 . 95 532740.000 . . 3.4 2.7 4.1 parsed_6b34 1 60 1 . 96 1881604.000 . . 2.8 2.2 3.4 parsed_6b34 1 61 1 . 97 1830684.000 . . 2.8 2.2 3.4 parsed_6b34 1 62 1 . 98 2090576.000 . . 2.7 2.2 3.2 parsed_6b34 1 63 1 . 99 5752732.000 . . 2.3 1.8 2.8 parsed_6b34 1 64 1 . 100 1868208.000 . . 2.8 2.2 3.4 parsed_6b34 1 65 1 . 101 4704176.000 . . 2.4 1.9 2.9 parsed_6b34 1 66 1 . 102 2447832.000 . . 2.6 2.1 3.1 parsed_6b34 1 67 1 . 103 6756304.000 . . 2.2 1.8 2.6 parsed_6b34 1 68 1 . 104 3373552.000 . . 2.5 2.0 3.0 parsed_6b34 1 69 1 . 105 1817844.000 . . 2.8 2.2 3.4 parsed_6b34 1 70 1 . 106 490680.000 . . 3.4 2.7 4.1 parsed_6b34 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 ; assign ( resid 7 and name HN ) ( resid 1 and name HA ) 2.9 0.6 0.6 volume=1490900.000 peak=34 ppm1=8.022 ppm2=4.764 ; 117 1 120 73 parsed_6b34 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_6b34 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6b34 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _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_6b34 2 2 1 . . . parsed_6b34 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_6b34 2 1 1 2 . . . . . . . . . 5 . N parsed_6b34 2 2 1 1 . . . . . . . . . 8 . O parsed_6b34 2 2 1 2 . . . . . . . . . 5 . HN parsed_6b34 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_6b34 2 2 1 . . . . . 1.9 1.8 2.0 parsed_6b34 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_6b34 2 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6b34 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -95 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6b34 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6b34 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6b34 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6b34 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -95.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6b34 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6b34 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6b34 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6b34 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -95.0 . . 10 . C . 10 . N . 1 . CA . 1 . C parsed_6b34 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 dyhed 1 1 1 7 parsed_6b34 1 stop_ save_
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