NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
28952 | 1abz | cing | 2-parsed | STAR | entry | full | 282 |
data_1abz_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1abz _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_1abz 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1abz _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 1abz "Master copy" parsed_1abz stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1abz _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 1abz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1abz 1 1 1abz.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1abz 1 1 1abz.mr . . XPLOR/CNS 3 distance NOE simple 86 parsed_1abz 1 1 1abz.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1abz 1 1 1abz.mr . . XPLOR/CNS 5 distance NOE simple 125 parsed_1abz 1 1 1abz.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1abz 1 1 1abz.mr . . XPLOR/CNS 7 distance NOE simple 51 parsed_1abz 1 1 1abz.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1abz 1 1 1abz.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_1abz 1 1 1abz.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1abz 1 1 1abz.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1abz 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_1abz _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 DE NOVO DESIGN 31-JAN-97 1ABZ *TITLE ALPHA-T-ALPHA, A DE NOVO DESIGNED PEPTIDE, NMR, *TITLE 2 23 STRUCTURES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ALPHA-T-ALPHA; *COMPND 3 CHAIN: NULL; *COMPND 4 SYNONYM: ATA; *COMPND 5 ENGINEERED: YES; *COMPND 6 OTHER_DETAILS: DE NOVO DESIGNED PEPTIDE *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: NON-BIOLOGICAL SEQUENCE *KEYWDS DE NOVO DESIGN, HELIX-TURN-HELIX, PEPTIDE *EXPDTA NMR, 23 STRUCTURES *AUTHOR Y.FEZOUI,P.J.CONNOLLY,J.J.OSTERHOUT *REVDAT 1 12-OCT-04 1ABZ 0 ; save_ save_MR_file_comment_2 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1abz _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 2 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; reset nrestraints= 1000 { NOE Restraints } { Beginning NOE class STRG} classification STRG ; save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1abz _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _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_1abz 1 2 1 . . . parsed_1abz 1 3 1 . . . parsed_1abz 1 4 1 . . . parsed_1abz 1 5 1 . . . parsed_1abz 1 6 1 . . . parsed_1abz 1 7 1 . . . parsed_1abz 1 8 1 . . . parsed_1abz 1 9 1 . . . parsed_1abz 1 10 1 . . . parsed_1abz 1 11 1 . . . parsed_1abz 1 12 1 . . . parsed_1abz 1 13 1 . . . parsed_1abz 1 14 1 . . . parsed_1abz 1 15 1 . . . parsed_1abz 1 16 1 . . . parsed_1abz 1 17 1 . . . parsed_1abz 1 18 1 . . . parsed_1abz 1 19 1 . . . parsed_1abz 1 20 1 . . . parsed_1abz 1 21 1 . . . parsed_1abz 1 22 1 . . . parsed_1abz 1 23 1 . . . parsed_1abz 1 24 1 . . . parsed_1abz 1 25 1 . . . parsed_1abz 1 26 1 . . . parsed_1abz 1 27 1 . . . parsed_1abz 1 28 1 . . . parsed_1abz 1 29 1 . . . parsed_1abz 1 30 1 . . . parsed_1abz 1 31 1 . . . parsed_1abz 1 32 1 . . . parsed_1abz 1 33 1 . . . parsed_1abz 1 34 1 . . . parsed_1abz 1 35 1 . . . parsed_1abz 1 36 1 . . . parsed_1abz 1 37 1 . . . parsed_1abz 1 38 1 . . . parsed_1abz 1 39 1 . . . parsed_1abz 1 40 1 . . . parsed_1abz 1 41 1 . . . parsed_1abz 1 42 1 . . . parsed_1abz 1 43 1 . . . parsed_1abz 1 44 1 . . . parsed_1abz 1 45 1 . . . parsed_1abz 1 46 1 . . . parsed_1abz 1 47 1 . . . parsed_1abz 1 48 1 . . . parsed_1abz 1 49 1 . . . parsed_1abz 1 50 1 . . . parsed_1abz 1 51 1 . . . parsed_1abz 1 52 1 . . . parsed_1abz 1 53 1 . . . parsed_1abz 1 54 1 . . . parsed_1abz 1 55 1 . . . parsed_1abz 1 56 1 . . . parsed_1abz 1 57 1 . . . parsed_1abz 1 58 1 . . . parsed_1abz 1 59 1 . . . parsed_1abz 1 60 1 . . . parsed_1abz 1 61 1 . . . parsed_1abz 1 62 1 . . . parsed_1abz 1 63 1 . . . parsed_1abz 1 64 1 . . . parsed_1abz 1 65 1 . . . parsed_1abz 1 66 1 . . . parsed_1abz 1 67 1 . . . parsed_1abz 1 68 1 . . . parsed_1abz 1 69 1 . . . parsed_1abz 1 70 1 . . . parsed_1abz 1 71 1 . . . parsed_1abz 1 72 1 . . . parsed_1abz 1 73 1 . . . parsed_1abz 1 74 1 . . . parsed_1abz 1 75 1 . . . parsed_1abz 1 76 1 . . . parsed_1abz 1 77 1 . . . parsed_1abz 1 78 1 . . . parsed_1abz 1 79 1 . . . parsed_1abz 1 80 1 . . . parsed_1abz 1 81 1 . . . parsed_1abz 1 82 1 . . . parsed_1abz 1 83 1 . . . parsed_1abz 1 84 1 . . . parsed_1abz 1 85 1 . . . parsed_1abz 1 86 1 . . . parsed_1abz 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 . . . . . . . . . 1 . HN parsed_1abz 1 1 1 2 . . . . . . . . . 1 . HA parsed_1abz 1 2 1 1 . . . . . . . . . 2 . HN parsed_1abz 1 2 1 2 . . . . . . . . . 2 . HA parsed_1abz 1 3 1 1 . . . . . . . . . 2 . HN parsed_1abz 1 3 1 2 . . . . . . . . . 3 . HN parsed_1abz 1 4 1 1 . . . . . . . . . 2 . HE1 parsed_1abz 1 4 1 2 . . . . . . . . . 2 . HZ2 parsed_1abz 1 5 1 1 . . . . . . . . . 2 . HE1 parsed_1abz 1 5 1 2 . . . . . . . . . 2 . HD1 parsed_1abz 1 6 1 1 . . . . . . . . . 2 . HZ2 parsed_1abz 1 6 1 2 . . . . . . . . . 2 . HH2 parsed_1abz 1 7 1 1 . . . . . . . . . 2 . HH2 parsed_1abz 1 7 1 2 . . . . . . . . . 2 . HZ3 parsed_1abz 1 8 1 1 . . . . . . . . . 2 . HE3 parsed_1abz 1 8 1 2 . . . . . . . . . 2 . HZ3 parsed_1abz 1 9 1 1 . . . . . . . . . 3 . HN parsed_1abz 1 9 1 2 . . . . . . . . . 3 . HA parsed_1abz 1 10 1 1 . . . . . . . . . 3 . HN parsed_1abz 1 10 1 2 . . . . . . . . . 4 . HN parsed_1abz 1 11 1 1 . . . . . . . . . 4 . HN parsed_1abz 1 11 1 2 . . . . . . . . . 4 . HA parsed_1abz 1 12 1 1 . . . . . . . . . 4 . HN parsed_1abz 1 12 1 2 . . . . . . . . . 5 . HN parsed_1abz 1 13 1 1 . . . . . . . . . 5 . HN parsed_1abz 1 13 1 2 . . . . . . . . . 5 . HA parsed_1abz 1 14 1 1 . . . . . . . . . 5 . HN parsed_1abz 1 14 1 2 . . . . . . . . . 5 . HB+ parsed_1abz 1 15 1 1 . . . . . . . . . 5 . HN parsed_1abz 1 15 1 2 . . . . . . . . . 6 . HN parsed_1abz 1 16 1 1 . . . . . . . . . 5 . HA parsed_1abz 1 16 1 2 . . . . . . . . . 5 . HB+ parsed_1abz 1 17 1 1 . . . . . . . . . 6 . HN parsed_1abz 1 17 1 2 . . . . . . . . . 6 . HA parsed_1abz 1 18 1 1 . . . . . . . . . 6 . HN parsed_1abz 1 18 1 2 . . . . . . . . . 7 . HN parsed_1abz 1 19 1 1 . . . . . . . . . 7 . HN parsed_1abz 1 19 1 2 . . . . . . . . . 7 . HA parsed_1abz 1 20 1 1 . . . . . . . . . 7 . HN parsed_1abz 1 20 1 2 . . . . . . . . . 7 . HB parsed_1abz 1 21 1 1 . . . . . . . . . 7 . HN parsed_1abz 1 21 1 2 . . . . . . . . . 8 . HN parsed_1abz 1 22 1 1 . . . . . . . . . 8 . HN parsed_1abz 1 22 1 2 . . . . . . . . . 8 . HA parsed_1abz 1 23 1 1 . . . . . . . . . 8 . HN parsed_1abz 1 23 1 2 . . . . . . . . . 9 . HN parsed_1abz 1 24 1 1 . . . . . . . . . 9 . HN parsed_1abz 1 24 1 2 . . . . . . . . . 9 . HA parsed_1abz 1 25 1 1 . . . . . . . . . 9 . HN parsed_1abz 1 25 1 2 . . . . . . . . . 10 . HN parsed_1abz 1 26 1 1 . . . . . . . . . 10 . HN parsed_1abz 1 26 1 2 . . . . . . . . . 10 . HA parsed_1abz 1 27 1 1 . . . . . . . . . 10 . HN parsed_1abz 1 27 1 2 . . . . . . . . . 11 . HN parsed_1abz 1 28 1 1 . . . . . . . . . 11 . HN parsed_1abz 1 28 1 2 . . . . . . . . . 11 . HA parsed_1abz 1 29 1 1 . . . . . . . . . 11 . HN parsed_1abz 1 29 1 2 . . . . . . . . . 11 . HG parsed_1abz 1 30 1 1 . . . . . . . . . 11 . HA parsed_1abz 1 30 1 2 . . . . . . . . . 11 . HG parsed_1abz 1 31 1 1 . . . . . . . . . 11 . HN parsed_1abz 1 31 1 2 . . . . . . . . . 12 . HN parsed_1abz 1 32 1 1 . . . . . . . . . 12 . HN parsed_1abz 1 32 1 2 . . . . . . . . . 12 . HA parsed_1abz 1 33 1 1 . . . . . . . . . 12 . HN parsed_1abz 1 33 1 2 . . . . . . . . . 12 . HB+ parsed_1abz 1 34 1 1 . . . . . . . . . 12 . HN parsed_1abz 1 34 1 2 . . . . . . . . . 13 . HN parsed_1abz 1 35 1 1 . . . . . . . . . 13 . HN parsed_1abz 1 35 1 2 . . . . . . . . . 13 . HA parsed_1abz 1 36 1 1 . . . . . . . . . 13 . HN parsed_1abz 1 36 1 2 . . . . . . . . . 13 . HB+ parsed_1abz 1 37 1 1 . . . . . . . . . 13 . HN parsed_1abz 1 37 1 2 . . . . . . . . . 14 . HN parsed_1abz 1 38 1 1 . . . . . . . . . 14 . HN parsed_1abz 1 38 1 2 . . . . . . . . . 14 . HA parsed_1abz 1 39 1 1 . . . . . . . . . 14 . HN parsed_1abz 1 39 1 2 . . . . . . . . . 15 . HN parsed_1abz 1 40 1 1 . . . . . . . . . 15 . HN parsed_1abz 1 40 1 2 . . . . . . . . . 15 . HA parsed_1abz 1 41 1 1 . . . . . . . . . 15 . HN parsed_1abz 1 41 1 2 . . . . . . . . . 16 . HN parsed_1abz 1 42 1 1 . . . . . . . . . 16 . HN parsed_1abz 1 42 1 2 . . . . . . . . . 16 . HA parsed_1abz 1 43 1 1 . . . . . . . . . 16 . HN parsed_1abz 1 43 1 2 . . . . . . . . . 16 . HB+ parsed_1abz 1 44 1 1 . . . . . . . . . 17 . HN parsed_1abz 1 44 1 2 . . . . . . . . . 17 . HA parsed_1abz 1 45 1 1 . . . . . . . . . 17 . HA parsed_1abz 1 45 1 2 . . . . . . . . . 18 . HN parsed_1abz 1 46 1 1 . . . . . . . . . 19 . HN parsed_1abz 1 46 1 2 . . . . . . . . . 19 . HA parsed_1abz 1 47 1 1 . . . . . . . . . 20 . HA parsed_1abz 1 47 1 2 . . . . . . . . . 21 . HN parsed_1abz 1 48 1 1 . . . . . . . . . 21 . HN parsed_1abz 1 48 1 2 . . . . . . . . . 21 . HA parsed_1abz 1 49 1 1 . . . . . . . . . 22 . HN parsed_1abz 1 49 1 2 . . . . . . . . . 22 . HA parsed_1abz 1 50 1 1 . . . . . . . . . 22 . HA parsed_1abz 1 50 1 2 . . . . . . . . . 23 . HN parsed_1abz 1 51 1 1 . . . . . . . . . 23 . HN parsed_1abz 1 51 1 2 . . . . . . . . . 23 . HA parsed_1abz 1 52 1 1 . . . . . . . . . 23 . HN parsed_1abz 1 52 1 2 . . . . . . . . . 23 . HB+ parsed_1abz 1 53 1 1 . . . . . . . . . 23 . HN parsed_1abz 1 53 1 2 . . . . . . . . . 24 . HN parsed_1abz 1 54 1 1 . . . . . . . . . 23 . HA parsed_1abz 1 54 1 2 . . . . . . . . . 23 . HB+ parsed_1abz 1 55 1 1 . . . . . . . . . 24 . HN parsed_1abz 1 55 1 2 . . . . . . . . . 24 . HA parsed_1abz 1 56 1 1 . . . . . . . . . 24 . HN parsed_1abz 1 56 1 2 . . . . . . . . . 25 . HN parsed_1abz 1 57 1 1 . . . . . . . . . 25 . HN parsed_1abz 1 57 1 2 . . . . . . . . . 25 . HA parsed_1abz 1 58 1 1 . . . . . . . . . 25 . HN parsed_1abz 1 58 1 2 . . . . . . . . . 26 . HN parsed_1abz 1 59 1 1 . . . . . . . . . 25 . HA parsed_1abz 1 59 1 2 . . . . . . . . . 25 . HG parsed_1abz 1 60 1 1 . . . . . . . . . 26 . HN parsed_1abz 1 60 1 2 . . . . . . . . . 26 . HA parsed_1abz 1 61 1 1 . . . . . . . . . 26 . HN parsed_1abz 1 61 1 2 . . . . . . . . . 27 . HN parsed_1abz 1 62 1 1 . . . . . . . . . 27 . HN parsed_1abz 1 62 1 2 . . . . . . . . . 27 . HA parsed_1abz 1 63 1 1 . . . . . . . . . 27 . HN parsed_1abz 1 63 1 2 . . . . . . . . . 27 . HB+ parsed_1abz 1 64 1 1 . . . . . . . . . 27 . HN parsed_1abz 1 64 1 2 . . . . . . . . . 28 . HN parsed_1abz 1 65 1 1 . . . . . . . . . 28 . HN parsed_1abz 1 65 1 2 . . . . . . . . . 28 . HA parsed_1abz 1 66 1 1 . . . . . . . . . 28 . HN parsed_1abz 1 66 1 2 . . . . . . . . . 29 . HN parsed_1abz 1 67 1 1 . . . . . . . . . 29 . HN parsed_1abz 1 67 1 2 . . . . . . . . . 29 . HA parsed_1abz 1 68 1 1 . . . . . . . . . 29 . HN parsed_1abz 1 68 1 2 . . . . . . . . . 30 . HN parsed_1abz 1 69 1 1 . . . . . . . . . 30 . HN parsed_1abz 1 69 1 2 . . . . . . . . . 30 . HA parsed_1abz 1 70 1 1 . . . . . . . . . 30 . HN parsed_1abz 1 70 1 2 . . . . . . . . . 30 . HB+ parsed_1abz 1 71 1 1 . . . . . . . . . 30 . HN parsed_1abz 1 71 1 2 . . . . . . . . . 31 . HN parsed_1abz 1 72 1 1 . . . . . . . . . 30 . HA parsed_1abz 1 72 1 2 . . . . . . . . . 30 . HB+ parsed_1abz 1 73 1 1 . . . . . . . . . 31 . HN parsed_1abz 1 73 1 2 . . . . . . . . . 31 . HA parsed_1abz 1 74 1 1 . . . . . . . . . 31 . HN parsed_1abz 1 74 1 2 . . . . . . . . . 32 . HN parsed_1abz 1 75 1 1 . . . . . . . . . 32 . HN parsed_1abz 1 75 1 2 . . . . . . . . . 32 . HA parsed_1abz 1 76 1 1 . . . . . . . . . 33 . HN parsed_1abz 1 76 1 2 . . . . . . . . . 33 . HA parsed_1abz 1 77 1 1 . . . . . . . . . 33 . HN parsed_1abz 1 77 1 2 . . . . . . . . . 34 . HN parsed_1abz 1 78 1 1 . . . . . . . . . 34 . HN parsed_1abz 1 78 1 2 . . . . . . . . . 34 . HA parsed_1abz 1 79 1 1 . . . . . . . . . 34 . HN parsed_1abz 1 79 1 2 . . . . . . . . . 34 . HB+ parsed_1abz 1 80 1 1 . . . . . . . . . 34 . HN parsed_1abz 1 80 1 2 . . . . . . . . . 35 . HN parsed_1abz 1 81 1 1 . . . . . . . . . 35 . HN parsed_1abz 1 81 1 2 . . . . . . . . . 35 . HA parsed_1abz 1 82 1 1 . . . . . . . . . 35 . HN parsed_1abz 1 82 1 2 . . . . . . . . . 36 . HN parsed_1abz 1 83 1 1 . . . . . . . . . 36 . HN parsed_1abz 1 83 1 2 . . . . . . . . . 36 . HA parsed_1abz 1 84 1 1 . . . . . . . . . 36 . HN parsed_1abz 1 84 1 2 . . . . . . . . . 37 . HN parsed_1abz 1 85 1 1 . . . . . . . . . 37 . HN parsed_1abz 1 85 1 2 . . . . . . . . . 37 . HA parsed_1abz 1 86 1 1 . . . . . . . . . 38 . HN parsed_1abz 1 86 1 2 . . . . . . . . . 38 . HA parsed_1abz 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 . . . . . 2.40 2.00 2.80 parsed_1abz 1 2 1 . . . . . 2.35 2.00 2.70 parsed_1abz 1 3 1 . . . . . 2.55 2.00 3.10 parsed_1abz 1 4 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 5 1 . . . . . 2.35 2.00 2.70 parsed_1abz 1 6 1 . . . . . 2.25 2.00 2.50 parsed_1abz 1 7 1 . . . . . 2.35 2.00 2.70 parsed_1abz 1 8 1 . . . . . 2.25 2.00 2.50 parsed_1abz 1 9 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 10 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 11 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 12 1 . . . . . 2.55 2.00 3.10 parsed_1abz 1 13 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 14 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 15 1 . . . . . 2.55 2.00 3.10 parsed_1abz 1 16 1 . . . . . 2.35 2.00 2.70 parsed_1abz 1 17 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 18 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 19 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 20 1 . . . . . 2.35 2.00 2.70 parsed_1abz 1 21 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 22 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 23 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 24 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 25 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 26 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 27 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 28 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 29 1 . . . . . 2.35 2.00 2.70 parsed_1abz 1 30 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 31 1 . . . . . 2.55 2.00 3.10 parsed_1abz 1 32 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 33 1 . . . . . 2.95 2.00 3.90 parsed_1abz 1 34 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 35 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 36 1 . . . . . 2.35 2.00 2.70 parsed_1abz 1 37 1 . . . . . 2.55 2.00 3.10 parsed_1abz 1 38 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 39 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 40 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 41 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 42 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 43 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 44 1 . . . . . 2.55 2.00 3.10 parsed_1abz 1 45 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 46 1 . . . . . 2.55 2.00 3.10 parsed_1abz 1 47 1 . . . . . 2.35 2.00 2.70 parsed_1abz 1 48 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 49 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 50 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 51 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 52 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 53 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 54 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 55 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 56 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 57 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 58 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 59 1 . . . . . 2.35 2.00 2.70 parsed_1abz 1 60 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 61 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 62 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 63 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 64 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 65 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 66 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 67 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 68 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 69 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 70 1 . . . . . 2.35 2.00 2.70 parsed_1abz 1 71 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 72 1 . . . . . 2.30 2.00 2.60 parsed_1abz 1 73 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 74 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 75 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 76 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 77 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 78 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 79 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 80 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 81 1 . . . . . 2.45 2.00 2.90 parsed_1abz 1 82 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 83 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 84 1 . . . . . 2.55 2.00 3.10 parsed_1abz 1 85 1 . . . . . 2.40 2.00 2.80 parsed_1abz 1 86 1 . . . . . 2.50 2.00 3.00 parsed_1abz 1 stop_ save_ save_MR_file_comment_4 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1abz _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 4 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; { Beginning NOE class MED } classification MED ; save_ save_CNS/XPLOR_distance_constraints_5 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1abz _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 5 _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_1abz 2 2 1 . . . parsed_1abz 2 3 1 . . . parsed_1abz 2 4 1 . . . parsed_1abz 2 5 1 . . . parsed_1abz 2 6 1 . . . parsed_1abz 2 7 1 . . . parsed_1abz 2 8 1 . . . parsed_1abz 2 9 1 . . . parsed_1abz 2 10 1 . . . parsed_1abz 2 11 1 . . . parsed_1abz 2 12 1 . . . parsed_1abz 2 13 1 . . . parsed_1abz 2 14 1 . . . parsed_1abz 2 15 1 . . . parsed_1abz 2 16 1 . . . parsed_1abz 2 17 1 . . . parsed_1abz 2 18 1 . . . parsed_1abz 2 19 1 . . . parsed_1abz 2 20 1 . . . parsed_1abz 2 21 1 . . . parsed_1abz 2 22 1 . . . parsed_1abz 2 23 1 . . . parsed_1abz 2 24 1 . . . parsed_1abz 2 25 1 . . . parsed_1abz 2 26 1 . . . parsed_1abz 2 27 1 . . . parsed_1abz 2 28 1 . . . parsed_1abz 2 29 1 . . . parsed_1abz 2 30 1 . . . parsed_1abz 2 31 1 . . . parsed_1abz 2 32 1 . . . parsed_1abz 2 33 1 . . . parsed_1abz 2 34 1 . . . parsed_1abz 2 35 1 . . . parsed_1abz 2 36 1 . . . parsed_1abz 2 37 1 . . . parsed_1abz 2 38 1 . . . parsed_1abz 2 39 1 . . . parsed_1abz 2 40 1 . . . parsed_1abz 2 41 1 . . . parsed_1abz 2 42 1 . . . parsed_1abz 2 43 1 . . . parsed_1abz 2 44 1 . . . parsed_1abz 2 45 1 . . . parsed_1abz 2 46 1 . . . parsed_1abz 2 47 1 . . . parsed_1abz 2 48 1 . . . parsed_1abz 2 49 1 . . . parsed_1abz 2 50 1 . . . parsed_1abz 2 51 1 . . . parsed_1abz 2 52 1 . . . parsed_1abz 2 53 1 . . . parsed_1abz 2 54 1 . . . parsed_1abz 2 55 1 . . . parsed_1abz 2 56 1 . . . parsed_1abz 2 57 1 . . . parsed_1abz 2 58 1 . . . parsed_1abz 2 59 1 . . . parsed_1abz 2 60 1 . . . parsed_1abz 2 61 1 . . . parsed_1abz 2 62 1 . . . parsed_1abz 2 63 1 . . . parsed_1abz 2 64 1 . . . parsed_1abz 2 65 1 . . . parsed_1abz 2 66 1 . . . parsed_1abz 2 67 1 . . . parsed_1abz 2 68 1 . . . parsed_1abz 2 69 1 . . . parsed_1abz 2 70 1 . . . parsed_1abz 2 71 1 . . . parsed_1abz 2 72 1 . . . parsed_1abz 2 73 1 . . . parsed_1abz 2 74 1 . . . parsed_1abz 2 75 1 . . . parsed_1abz 2 76 1 . . . parsed_1abz 2 77 1 . . . parsed_1abz 2 78 1 . . . parsed_1abz 2 79 1 . . . parsed_1abz 2 80 1 . . . parsed_1abz 2 81 1 . . . parsed_1abz 2 82 1 . . . parsed_1abz 2 83 1 . . . parsed_1abz 2 84 1 . . . parsed_1abz 2 85 1 . . . parsed_1abz 2 86 1 . . . parsed_1abz 2 87 1 . . . parsed_1abz 2 88 1 . . . parsed_1abz 2 89 1 . . . parsed_1abz 2 90 1 . . . parsed_1abz 2 91 1 . . . parsed_1abz 2 92 1 . . . parsed_1abz 2 93 1 . . . parsed_1abz 2 94 1 . . . parsed_1abz 2 95 1 . . . parsed_1abz 2 96 1 . . . parsed_1abz 2 97 1 . . . parsed_1abz 2 98 1 . . . parsed_1abz 2 99 1 . . . parsed_1abz 2 100 1 . . . parsed_1abz 2 101 1 . . . parsed_1abz 2 102 1 . . . parsed_1abz 2 103 1 . . . parsed_1abz 2 104 1 . . . parsed_1abz 2 105 1 . . . parsed_1abz 2 106 1 . . . parsed_1abz 2 107 1 . . . parsed_1abz 2 108 1 . . . parsed_1abz 2 109 1 . . . parsed_1abz 2 110 1 . . . parsed_1abz 2 111 1 . . . parsed_1abz 2 112 1 . . . parsed_1abz 2 113 1 . . . parsed_1abz 2 114 1 . . . parsed_1abz 2 115 1 . . . parsed_1abz 2 116 1 . . . parsed_1abz 2 117 1 . . . parsed_1abz 2 118 1 . . . parsed_1abz 2 119 1 . . . parsed_1abz 2 120 1 . . . parsed_1abz 2 121 1 . . . parsed_1abz 2 122 1 . . . parsed_1abz 2 123 1 . . . parsed_1abz 2 124 1 . . . parsed_1abz 2 125 1 . . . parsed_1abz 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 . . . . . . . . . 0 . H3+ parsed_1abz 2 1 1 2 . . . . . . . . . 1 . HN parsed_1abz 2 2 1 1 . . . . . . . . . 0 . H2+ parsed_1abz 2 2 1 2 . . . . . . . . . 1 . HN parsed_1abz 2 3 1 1 . . . . . . . . . 1 . HN parsed_1abz 2 3 1 2 . . . . . . . . . 1 . HB+ parsed_1abz 2 4 1 1 . . . . . . . . . 1 . HN parsed_1abz 2 4 1 2 . . . . . . . . . 2 . HN parsed_1abz 2 5 1 1 . . . . . . . . . 1 . HA parsed_1abz 2 5 1 2 . . . . . . . . . 1 . HB+ parsed_1abz 2 6 1 1 . . . . . . . . . 1 . HA parsed_1abz 2 6 1 2 . . . . . . . . . 4 . HN parsed_1abz 2 7 1 1 . . . . . . . . . 1 . HA parsed_1abz 2 7 1 2 . . . . . . . . . 4 . HB+ parsed_1abz 2 8 1 1 . . . . . . . . . 2 . HN parsed_1abz 2 8 1 2 . . . . . . . . . 2 . HB+ parsed_1abz 2 9 1 1 . . . . . . . . . 2 . HN parsed_1abz 2 9 1 2 . . . . . . . . . 2 . HD1 parsed_1abz 2 10 1 1 . . . . . . . . . 2 . HA parsed_1abz 2 10 1 2 . . . . . . . . . 2 . HB+ parsed_1abz 2 11 1 1 . . . . . . . . . 2 . HA parsed_1abz 2 11 1 2 . . . . . . . . . 3 . HN parsed_1abz 2 12 1 1 . . . . . . . . . 2 . HA parsed_1abz 2 12 1 2 . . . . . . . . . 2 . HD1 parsed_1abz 2 13 1 1 . . . . . . . . . 2 . HA parsed_1abz 2 13 1 2 . . . . . . . . . 5 . HN parsed_1abz 2 14 1 1 . . . . . . . . . 2 . HA parsed_1abz 2 14 1 2 . . . . . . . . . 5 . HB+ parsed_1abz 2 15 1 1 . . . . . . . . . 2 . HB+ parsed_1abz 2 15 1 2 . . . . . . . . . 2 . HD1 parsed_1abz 2 16 1 1 . . . . . . . . . 2 . HB+ parsed_1abz 2 16 1 2 . . . . . . . . . 2 . HE3 parsed_1abz 2 17 1 1 . . . . . . . . . 2 . HB+ parsed_1abz 2 17 1 2 . . . . . . . . . 3 . HN parsed_1abz 2 18 1 1 . . . . . . . . . 2 . HE3 parsed_1abz 2 18 1 2 . . . . . . . . . 3 . HA parsed_1abz 2 19 1 1 . . . . . . . . . 3 . HN parsed_1abz 2 19 1 2 . . . . . . . . . 3 . HB+ parsed_1abz 2 20 1 1 . . . . . . . . . 3 . HN parsed_1abz 2 20 1 2 . . . . . . . . . 3 . HG parsed_1abz 2 21 1 1 . . . . . . . . . 3 . HA parsed_1abz 2 21 1 2 . . . . . . . . . 3 . HB+ parsed_1abz 2 22 1 1 . . . . . . . . . 3 . HA parsed_1abz 2 22 1 2 . . . . . . . . . 3 . HD* parsed_1abz 2 23 1 1 . . . . . . . . . 3 . HA parsed_1abz 2 23 1 2 . . . . . . . . . 4 . HN parsed_1abz 2 24 1 1 . . . . . . . . . 3 . HA parsed_1abz 2 24 1 2 . . . . . . . . . 6 . HN parsed_1abz 2 25 1 1 . . . . . . . . . 3 . HB+ parsed_1abz 2 25 1 2 . . . . . . . . . 4 . HN parsed_1abz 2 26 1 1 . . . . . . . . . 4 . HN parsed_1abz 2 26 1 2 . . . . . . . . . 4 . HB+ parsed_1abz 2 27 1 1 . . . . . . . . . 4 . HA parsed_1abz 2 27 1 2 . . . . . . . . . 5 . HN parsed_1abz 2 28 1 1 . . . . . . . . . 4 . HA parsed_1abz 2 28 1 2 . . . . . . . . . 7 . HN parsed_1abz 2 29 1 1 . . . . . . . . . 4 . HA parsed_1abz 2 29 1 2 . . . . . . . . . 7 . HB parsed_1abz 2 30 1 1 . . . . . . . . . 4 . HA parsed_1abz 2 30 1 2 . . . . . . . . . 8 . HN parsed_1abz 2 31 1 1 . . . . . . . . . 5 . HB+ parsed_1abz 2 31 1 2 . . . . . . . . . 6 . HN parsed_1abz 2 32 1 1 . . . . . . . . . 6 . HN parsed_1abz 2 32 1 2 . . . . . . . . . 6 . HB+ parsed_1abz 2 33 1 1 . . . . . . . . . 6 . HA parsed_1abz 2 33 1 2 . . . . . . . . . 6 . HD+ parsed_1abz 2 34 1 1 . . . . . . . . . 6 . HB+ parsed_1abz 2 34 1 2 . . . . . . . . . 7 . HN parsed_1abz 2 35 1 1 . . . . . . . . . 7 . HA parsed_1abz 2 35 1 2 . . . . . . . . . 8 . HN parsed_1abz 2 36 1 1 . . . . . . . . . 7 . HA parsed_1abz 2 36 1 2 . . . . . . . . . 10 . HN parsed_1abz 2 37 1 1 . . . . . . . . . 7 . HA parsed_1abz 2 37 1 2 . . . . . . . . . 10 . HB+ parsed_1abz 2 38 1 1 . . . . . . . . . 7 . HA parsed_1abz 2 38 1 2 . . . . . . . . . 11 . HN parsed_1abz 2 39 1 1 . . . . . . . . . 8 . HA parsed_1abz 2 39 1 2 . . . . . . . . . 9 . HN parsed_1abz 2 40 1 1 . . . . . . . . . 8 . HA parsed_1abz 2 40 1 2 . . . . . . . . . 11 . HN parsed_1abz 2 41 1 1 . . . . . . . . . 8 . HB+ parsed_1abz 2 41 1 2 . . . . . . . . . 9 . HN parsed_1abz 2 42 1 1 . . . . . . . . . 9 . HN parsed_1abz 2 42 1 2 . . . . . . . . . 9 . HB+ parsed_1abz 2 43 1 1 . . . . . . . . . 9 . HA parsed_1abz 2 43 1 2 . . . . . . . . . 9 . HB+ parsed_1abz 2 44 1 1 . . . . . . . . . 9 . HA parsed_1abz 2 44 1 2 . . . . . . . . . 12 . HN parsed_1abz 2 45 1 1 . . . . . . . . . 10 . HN parsed_1abz 2 45 1 2 . . . . . . . . . 10 . HB+ parsed_1abz 2 46 1 1 . . . . . . . . . 10 . HA parsed_1abz 2 46 1 2 . . . . . . . . . 10 . HB+ parsed_1abz 2 47 1 1 . . . . . . . . . 10 . HA parsed_1abz 2 47 1 2 . . . . . . . . . 11 . HN parsed_1abz 2 48 1 1 . . . . . . . . . 10 . HB+ parsed_1abz 2 48 1 2 . . . . . . . . . 11 . HN parsed_1abz 2 49 1 1 . . . . . . . . . 11 . HN parsed_1abz 2 49 1 2 . . . . . . . . . 11 . HB+ parsed_1abz 2 50 1 1 . . . . . . . . . 11 . HA parsed_1abz 2 50 1 2 . . . . . . . . . 12 . HN parsed_1abz 2 51 1 1 . . . . . . . . . 11 . HA parsed_1abz 2 51 1 2 . . . . . . . . . 14 . HN parsed_1abz 2 52 1 1 . . . . . . . . . 12 . HN parsed_1abz 2 52 1 2 . . . . . . . . . 12 . HB+ parsed_1abz 2 53 1 1 . . . . . . . . . 12 . HN parsed_1abz 2 53 1 2 . . . . . . . . . 12 . HG+ parsed_1abz 2 54 1 1 . . . . . . . . . 12 . HA parsed_1abz 2 54 1 2 . . . . . . . . . 12 . HB+ parsed_1abz 2 55 1 1 . . . . . . . . . 12 . HA parsed_1abz 2 55 1 2 . . . . . . . . . 12 . HG+ parsed_1abz 2 56 1 1 . . . . . . . . . 12 . HA parsed_1abz 2 56 1 2 . . . . . . . . . 13 . HN parsed_1abz 2 57 1 1 . . . . . . . . . 12 . HB+ parsed_1abz 2 57 1 2 . . . . . . . . . 13 . HN parsed_1abz 2 58 1 1 . . . . . . . . . 13 . HA parsed_1abz 2 58 1 2 . . . . . . . . . 14 . HN parsed_1abz 2 59 1 1 . . . . . . . . . 13 . HA parsed_1abz 2 59 1 2 . . . . . . . . . 16 . HB+ parsed_1abz 2 60 1 1 . . . . . . . . . 13 . HB+ parsed_1abz 2 60 1 2 . . . . . . . . . 14 . HN parsed_1abz 2 61 1 1 . . . . . . . . . 14 . HN parsed_1abz 2 61 1 2 . . . . . . . . . 14 . HB+ parsed_1abz 2 62 1 1 . . . . . . . . . 14 . HA parsed_1abz 2 62 1 2 . . . . . . . . . 17 . HN parsed_1abz 2 63 1 1 . . . . . . . . . 15 . HB+ parsed_1abz 2 63 1 2 . . . . . . . . . 16 . HN parsed_1abz 2 64 1 1 . . . . . . . . . 17 . HN parsed_1abz 2 64 1 2 . . . . . . . . . 18 . HN parsed_1abz 2 65 1 1 . . . . . . . . . 17 . HA parsed_1abz 2 65 1 2 . . . . . . . . . 17 . HB+ parsed_1abz 2 66 1 1 . . . . . . . . . 17 . HA parsed_1abz 2 66 1 2 . . . . . . . . . 17 . HG+ parsed_1abz 2 67 1 1 . . . . . . . . . 18 . HN parsed_1abz 2 67 1 2 . . . . . . . . . 18 . HA+ parsed_1abz 2 68 1 1 . . . . . . . . . 18 . HA+ parsed_1abz 2 68 1 2 . . . . . . . . . 19 . HN parsed_1abz 2 69 1 1 . . . . . . . . . 19 . HN parsed_1abz 2 69 1 2 . . . . . . . . . 20 . HN parsed_1abz 2 70 1 1 . . . . . . . . . 19 . HA parsed_1abz 2 70 1 2 . . . . . . . . . 20 . HN parsed_1abz 2 71 1 1 . . . . . . . . . 20 . HN parsed_1abz 2 71 1 2 . . . . . . . . . 20 . HA parsed_1abz 2 72 1 1 . . . . . . . . . 20 . HN parsed_1abz 2 72 1 2 . . . . . . . . . 21 . HN parsed_1abz 2 73 1 1 . . . . . . . . . 21 . HN parsed_1abz 2 73 1 2 . . . . . . . . . 21 . HB+ parsed_1abz 2 74 1 1 . . . . . . . . . 21 . HA parsed_1abz 2 74 1 2 . . . . . . . . . 24 . HG+ parsed_1abz 2 75 1 1 . . . . . . . . . 21 . HA parsed_1abz 2 75 1 2 . . . . . . . . . 24 . HB+ parsed_1abz 2 76 1 1 . . . . . . . . . 22 . HN parsed_1abz 2 76 1 2 . . . . . . . . . 22 . HB+ parsed_1abz 2 77 1 1 . . . . . . . . . 22 . HN parsed_1abz 2 77 1 2 . . . . . . . . . 23 . HN parsed_1abz 2 78 1 1 . . . . . . . . . 22 . HA parsed_1abz 2 78 1 2 . . . . . . . . . 25 . HG parsed_1abz 2 79 1 1 . . . . . . . . . 22 . HB+ parsed_1abz 2 79 1 2 . . . . . . . . . 23 . HN parsed_1abz 2 80 1 1 . . . . . . . . . 23 . HB+ parsed_1abz 2 80 1 2 . . . . . . . . . 24 . HN parsed_1abz 2 81 1 1 . . . . . . . . . 24 . HA parsed_1abz 2 81 1 2 . . . . . . . . . 25 . HN parsed_1abz 2 82 1 1 . . . . . . . . . 25 . HA parsed_1abz 2 82 1 2 . . . . . . . . . 28 . HN parsed_1abz 2 83 1 1 . . . . . . . . . 25 . HB+ parsed_1abz 2 83 1 2 . . . . . . . . . 26 . HN parsed_1abz 2 84 1 1 . . . . . . . . . 26 . HN parsed_1abz 2 84 1 2 . . . . . . . . . 26 . HB+ parsed_1abz 2 85 1 1 . . . . . . . . . 26 . HA parsed_1abz 2 85 1 2 . . . . . . . . . 26 . HG+ parsed_1abz 2 86 1 1 . . . . . . . . . 26 . HA parsed_1abz 2 86 1 2 . . . . . . . . . 26 . HE parsed_1abz 2 87 1 1 . . . . . . . . . 26 . HA parsed_1abz 2 87 1 2 . . . . . . . . . 27 . HN parsed_1abz 2 88 1 1 . . . . . . . . . 26 . HA parsed_1abz 2 88 1 2 . . . . . . . . . 29 . HN parsed_1abz 2 89 1 1 . . . . . . . . . 26 . HB+ parsed_1abz 2 89 1 2 . . . . . . . . . 27 . HN parsed_1abz 2 90 1 1 . . . . . . . . . 27 . HA parsed_1abz 2 90 1 2 . . . . . . . . . 28 . HN parsed_1abz 2 91 1 1 . . . . . . . . . 27 . HA parsed_1abz 2 91 1 2 . . . . . . . . . 30 . HN parsed_1abz 2 92 1 1 . . . . . . . . . 27 . HB+ parsed_1abz 2 92 1 2 . . . . . . . . . 28 . HN parsed_1abz 2 93 1 1 . . . . . . . . . 28 . HN parsed_1abz 2 93 1 2 . . . . . . . . . 28 . HB+ parsed_1abz 2 94 1 1 . . . . . . . . . 28 . HA parsed_1abz 2 94 1 2 . . . . . . . . . 29 . HN parsed_1abz 2 95 1 1 . . . . . . . . . 28 . HA parsed_1abz 2 95 1 2 . . . . . . . . . 31 . HN parsed_1abz 2 96 1 1 . . . . . . . . . 28 . HA parsed_1abz 2 96 1 2 . . . . . . . . . 31 . HB+ parsed_1abz 2 97 1 1 . . . . . . . . . 28 . HB+ parsed_1abz 2 97 1 2 . . . . . . . . . 29 . HN parsed_1abz 2 98 1 1 . . . . . . . . . 29 . HA parsed_1abz 2 98 1 2 . . . . . . . . . 30 . HN parsed_1abz 2 99 1 1 . . . . . . . . . 29 . HA parsed_1abz 2 99 1 2 . . . . . . . . . 32 . HN parsed_1abz 2 100 1 1 . . . . . . . . . 30 . HB+ parsed_1abz 2 100 1 2 . . . . . . . . . 31 . HN parsed_1abz 2 101 1 1 . . . . . . . . . 31 . HA parsed_1abz 2 101 1 2 . . . . . . . . . 32 . HN parsed_1abz 2 102 1 1 . . . . . . . . . 31 . HA parsed_1abz 2 102 1 2 . . . . . . . . . 34 . HN parsed_1abz 2 103 1 1 . . . . . . . . . 32 . HN parsed_1abz 2 103 1 2 . . . . . . . . . 32 . HB+ parsed_1abz 2 104 1 1 . . . . . . . . . 32 . HA parsed_1abz 2 104 1 2 . . . . . . . . . 33 . HN parsed_1abz 2 105 1 1 . . . . . . . . . 32 . HA parsed_1abz 2 105 1 2 . . . . . . . . . 35 . HN parsed_1abz 2 106 1 1 . . . . . . . . . 33 . HN parsed_1abz 2 106 1 2 . . . . . . . . . 33 . HB+ parsed_1abz 2 107 1 1 . . . . . . . . . 33 . HA parsed_1abz 2 107 1 2 . . . . . . . . . 33 . HB+ parsed_1abz 2 108 1 1 . . . . . . . . . 33 . HA parsed_1abz 2 108 1 2 . . . . . . . . . 34 . HN parsed_1abz 2 109 1 1 . . . . . . . . . 33 . HA parsed_1abz 2 109 1 2 . . . . . . . . . 36 . HN parsed_1abz 2 110 1 1 . . . . . . . . . 33 . HA parsed_1abz 2 110 1 2 . . . . . . . . . 36 . HB parsed_1abz 2 111 1 1 . . . . . . . . . 33 . HB+ parsed_1abz 2 111 1 2 . . . . . . . . . 34 . HN parsed_1abz 2 112 1 1 . . . . . . . . . 34 . HA parsed_1abz 2 112 1 2 . . . . . . . . . 35 . HN parsed_1abz 2 113 1 1 . . . . . . . . . 35 . HA parsed_1abz 2 113 1 2 . . . . . . . . . 36 . HN parsed_1abz 2 114 1 1 . . . . . . . . . 35 . HB+ parsed_1abz 2 114 1 2 . . . . . . . . . 36 . HN parsed_1abz 2 115 1 1 . . . . . . . . . 36 . HA parsed_1abz 2 115 1 2 . . . . . . . . . 37 . HN parsed_1abz 2 116 1 1 . . . . . . . . . 36 . HA parsed_1abz 2 116 1 2 . . . . . . . . . 36 . HG* parsed_1abz 2 117 1 1 . . . . . . . . . 36 . HB parsed_1abz 2 117 1 2 . . . . . . . . . 36 . HG* parsed_1abz 2 118 1 1 . . . . . . . . . 36 . HB parsed_1abz 2 118 1 2 . . . . . . . . . 37 . HN parsed_1abz 2 119 1 1 . . . . . . . . . 37 . HN parsed_1abz 2 119 1 2 . . . . . . . . . 38 . HN parsed_1abz 2 120 1 1 . . . . . . . . . 37 . HA parsed_1abz 2 120 1 2 . . . . . . . . . 37 . HB+ parsed_1abz 2 121 1 1 . . . . . . . . . 37 . HA parsed_1abz 2 121 1 2 . . . . . . . . . 37 . HG+ parsed_1abz 2 122 1 1 . . . . . . . . . 37 . HB+ parsed_1abz 2 122 1 2 . . . . . . . . . 38 . HN parsed_1abz 2 123 1 1 . . . . . . . . . 38 . HN parsed_1abz 2 123 1 2 . . . . . . . . . 38 . HB+ parsed_1abz 2 124 1 1 . . . . . . . . . 38 . HN parsed_1abz 2 124 1 2 . . . . . . . . . 39 . HN+ parsed_1abz 2 125 1 1 . . . . . . . . . 38 . HA parsed_1abz 2 125 1 2 . . . . . . . . . 39 . HN+ parsed_1abz 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 . . . . . 2.80 2.00 3.60 parsed_1abz 2 2 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 3 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 4 1 . . . . . 2.70 2.00 3.40 parsed_1abz 2 5 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 6 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 7 1 . . . . . 3.30 2.00 4.60 parsed_1abz 2 8 1 . . . . . 2.95 2.00 3.90 parsed_1abz 2 9 1 . . . . . 2.85 2.00 3.70 parsed_1abz 2 10 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 11 1 . . . . . 2.75 2.00 3.50 parsed_1abz 2 12 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 13 1 . . . . . 2.75 2.00 3.50 parsed_1abz 2 14 1 . . . . . 3.10 2.00 4.20 parsed_1abz 2 15 1 . . . . . 3.05 2.00 4.10 parsed_1abz 2 16 1 . . . . . 3.10 2.00 4.20 parsed_1abz 2 17 1 . . . . . 3.30 2.00 4.60 parsed_1abz 2 18 1 . . . . . 2.60 2.00 3.20 parsed_1abz 2 19 1 . . . . . 2.75 2.00 3.50 parsed_1abz 2 20 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 21 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 22 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 23 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 24 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 25 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 26 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 27 1 . . . . . 2.85 2.00 3.70 parsed_1abz 2 28 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 29 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 30 1 . . . . . 3.30 2.00 4.60 parsed_1abz 2 31 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 32 1 . . . . . 2.85 2.00 3.70 parsed_1abz 2 33 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 34 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 35 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 36 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 37 1 . . . . . 3.30 2.00 4.60 parsed_1abz 2 38 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 39 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 40 1 . . . . . 2.85 2.00 3.70 parsed_1abz 2 41 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 42 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 43 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 44 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 45 1 . . . . . 3.10 2.00 4.20 parsed_1abz 2 46 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 47 1 . . . . . 2.85 2.00 3.70 parsed_1abz 2 48 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 49 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 50 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 51 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 52 1 . . . . . 3.30 2.00 4.60 parsed_1abz 2 53 1 . . . . . 3.30 2.00 4.60 parsed_1abz 2 54 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 55 1 . . . . . 2.95 2.00 3.90 parsed_1abz 2 56 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 57 1 . . . . . 3.10 2.00 4.20 parsed_1abz 2 58 1 . . . . . 2.85 2.00 3.70 parsed_1abz 2 59 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 60 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 61 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 62 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 63 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 64 1 . . . . . 2.65 2.00 3.30 parsed_1abz 2 65 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 66 1 . . . . . 3.10 2.00 4.20 parsed_1abz 2 67 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 68 1 . . . . . 3.30 2.00 4.60 parsed_1abz 2 69 1 . . . . . 2.70 2.00 3.40 parsed_1abz 2 70 1 . . . . . 2.60 2.00 3.20 parsed_1abz 2 71 1 . . . . . 2.60 2.00 3.20 parsed_1abz 2 72 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 73 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 74 1 . . . . . 3.50 2.00 5.00 parsed_1abz 2 75 1 . . . . . 3.40 2.00 4.80 parsed_1abz 2 76 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 77 1 . . . . . 2.60 2.00 3.20 parsed_1abz 2 78 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 79 1 . . . . . 3.10 2.00 4.20 parsed_1abz 2 80 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 81 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 82 1 . . . . . 2.85 2.00 3.70 parsed_1abz 2 83 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 84 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 85 1 . . . . . 3.15 2.00 4.30 parsed_1abz 2 86 1 . . . . . 3.15 2.00 4.15 parsed_1abz 2 87 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 88 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 89 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 90 1 . . . . . 2.85 2.00 3.70 parsed_1abz 2 91 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 92 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 93 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 94 1 . . . . . 2.85 2.00 3.70 parsed_1abz 2 95 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 96 1 . . . . . 3.30 2.00 4.60 parsed_1abz 2 97 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 98 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 99 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 100 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 101 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 102 1 . . . . . 2.85 2.00 3.70 parsed_1abz 2 103 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 104 1 . . . . . 2.85 2.00 3.70 parsed_1abz 2 105 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 106 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 107 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 108 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 109 1 . . . . . 2.95 2.00 3.90 parsed_1abz 2 110 1 . . . . . 3.10 2.00 4.20 parsed_1abz 2 111 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 112 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 113 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 114 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 115 1 . . . . . 2.75 2.00 3.50 parsed_1abz 2 116 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 117 1 . . . . . 3.25 2.00 4.50 parsed_1abz 2 118 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 119 1 . . . . . 2.60 2.00 3.20 parsed_1abz 2 120 1 . . . . . 2.90 2.00 3.80 parsed_1abz 2 121 1 . . . . . 3.00 2.00 4.00 parsed_1abz 2 122 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 123 1 . . . . . 2.80 2.00 3.60 parsed_1abz 2 124 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 125 1 . . . . . 3.20 2.00 4.40 parsed_1abz 2 stop_ save_ save_MR_file_comment_6 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1abz _Org_constr_file_comment.ID 4 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 6 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; { Beginning NOE class WEAK} classification WEAK ; save_ save_CNS/XPLOR_distance_constraints_7 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1abz _Distance_constraint_list.ID 3 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 7 _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_1abz 3 2 1 . . . parsed_1abz 3 3 1 . . . parsed_1abz 3 4 1 . . . parsed_1abz 3 5 1 . . . parsed_1abz 3 6 1 . . . parsed_1abz 3 7 1 . . . parsed_1abz 3 8 1 . . . parsed_1abz 3 9 1 . . . parsed_1abz 3 10 1 . . . parsed_1abz 3 11 1 . . . parsed_1abz 3 12 1 . . . parsed_1abz 3 13 1 . . . parsed_1abz 3 14 1 . . . parsed_1abz 3 15 1 . . . parsed_1abz 3 16 1 . . . parsed_1abz 3 17 1 . . . parsed_1abz 3 18 1 . . . parsed_1abz 3 19 1 . . . parsed_1abz 3 20 1 . . . parsed_1abz 3 21 1 . . . parsed_1abz 3 22 1 . . . parsed_1abz 3 23 1 . . . parsed_1abz 3 24 1 . . . parsed_1abz 3 25 1 . . . parsed_1abz 3 26 1 . . . parsed_1abz 3 27 1 . . . parsed_1abz 3 28 1 . . . parsed_1abz 3 29 1 . . . parsed_1abz 3 30 1 . . . parsed_1abz 3 31 1 . . . parsed_1abz 3 32 1 . . . parsed_1abz 3 33 1 . . . parsed_1abz 3 34 1 . . . parsed_1abz 3 35 1 . . . parsed_1abz 3 36 1 . . . parsed_1abz 3 37 1 . . . parsed_1abz 3 38 1 . . . parsed_1abz 3 39 1 . . . parsed_1abz 3 40 1 . . . parsed_1abz 3 41 1 . . . parsed_1abz 3 42 1 . . . parsed_1abz 3 43 1 . . . parsed_1abz 3 44 1 . . . parsed_1abz 3 45 1 . . . parsed_1abz 3 46 1 . . . parsed_1abz 3 47 1 . . . parsed_1abz 3 48 1 . . . parsed_1abz 3 49 1 . . . parsed_1abz 3 50 1 . . . parsed_1abz 3 51 1 . . . parsed_1abz 3 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 . . . . . . . . . 0 . H3+ parsed_1abz 3 1 1 2 . . . . . . . . . 2 . HN parsed_1abz 3 2 1 1 . . . . . . . . . 0 . H3+ parsed_1abz 3 2 1 2 . . . . . . . . . 2 . HD1 parsed_1abz 3 3 1 1 . . . . . . . . . 0 . H3+ parsed_1abz 3 3 1 2 . . . . . . . . . 3 . HB+ parsed_1abz 3 4 1 1 . . . . . . . . . 0 . H3+ parsed_1abz 3 4 1 2 . . . . . . . . . 3 . HD* parsed_1abz 3 5 1 1 . . . . . . . . . 1 . HA parsed_1abz 3 5 1 2 . . . . . . . . . 4 . HD+ parsed_1abz 3 6 1 1 . . . . . . . . . 1 . HA parsed_1abz 3 6 1 2 . . . . . . . . . 4 . HE+ parsed_1abz 3 7 1 1 . . . . . . . . . 1 . HB+ parsed_1abz 3 7 1 2 . . . . . . . . . 2 . HN parsed_1abz 3 8 1 1 . . . . . . . . . 1 . HX+ parsed_1abz 3 8 1 2 . . . . . . . . . 3 . HN parsed_1abz 3 9 1 1 . . . . . . . . . 2 . HZ2 parsed_1abz 3 9 1 2 . . . . . . . . . 6 . HG+ parsed_1abz 3 10 1 1 . . . . . . . . . 2 . HZ2 parsed_1abz 3 10 1 2 . . . . . . . . . 6 . HD+ parsed_1abz 3 11 1 1 . . . . . . . . . 2 . HH2 parsed_1abz 3 11 1 2 . . . . . . . . . 6 . HG+ parsed_1abz 3 12 1 1 . . . . . . . . . 2 . HE3 parsed_1abz 3 12 1 2 . . . . . . . . . 3 . HD* parsed_1abz 3 13 1 1 . . . . . . . . . 2 . HZ3 parsed_1abz 3 13 1 2 . . . . . . . . . 3 . HD* parsed_1abz 3 14 1 1 . . . . . . . . . 3 . HN parsed_1abz 3 14 1 2 . . . . . . . . . 3 . HD* parsed_1abz 3 15 1 1 . . . . . . . . . 3 . HG parsed_1abz 3 15 1 2 . . . . . . . . . 7 . HG* parsed_1abz 3 16 1 1 . . . . . . . . . 3 . HD* parsed_1abz 3 16 1 2 . . . . . . . . . 7 . HG* parsed_1abz 3 17 1 1 . . . . . . . . . 3 . HD* parsed_1abz 3 17 1 2 . . . . . . . . . 36 . HA parsed_1abz 3 18 1 1 . . . . . . . . . 3 . HD* parsed_1abz 3 18 1 2 . . . . . . . . . 36 . HG* parsed_1abz 3 19 1 1 . . . . . . . . . 4 . HN parsed_1abz 3 19 1 2 . . . . . . . . . 4 . HD+ parsed_1abz 3 20 1 1 . . . . . . . . . 4 . HD+ parsed_1abz 3 20 1 2 . . . . . . . . . 36 . HG* parsed_1abz 3 21 1 1 . . . . . . . . . 4 . HA parsed_1abz 3 21 1 2 . . . . . . . . . 7 . HG* parsed_1abz 3 22 1 1 . . . . . . . . . 4 . HB+ parsed_1abz 3 22 1 2 . . . . . . . . . 7 . HG* parsed_1abz 3 23 1 1 . . . . . . . . . 7 . HA parsed_1abz 3 23 1 2 . . . . . . . . . 10 . HG+ parsed_1abz 3 24 1 1 . . . . . . . . . 7 . HA parsed_1abz 3 24 1 2 . . . . . . . . . 11 . HD* parsed_1abz 3 25 1 1 . . . . . . . . . 7 . HG* parsed_1abz 3 25 1 2 . . . . . . . . . 11 . HN parsed_1abz 3 26 1 1 . . . . . . . . . 7 . HG* parsed_1abz 3 26 1 2 . . . . . . . . . 32 . HA parsed_1abz 3 27 1 1 . . . . . . . . . 7 . HG* parsed_1abz 3 27 1 2 . . . . . . . . . 32 . HB+ parsed_1abz 3 28 1 1 . . . . . . . . . 9 . HA parsed_1abz 3 28 1 2 . . . . . . . . . 11 . HN parsed_1abz 3 29 1 1 . . . . . . . . . 11 . HD* parsed_1abz 3 29 1 2 . . . . . . . . . 28 . HG+ parsed_1abz 3 30 1 1 . . . . . . . . . 12 . HA parsed_1abz 3 30 1 2 . . . . . . . . . 16 . HN parsed_1abz 3 31 1 1 . . . . . . . . . 15 . HB+ parsed_1abz 3 31 1 2 . . . . . . . . . 25 . HG parsed_1abz 3 32 1 1 . . . . . . . . . 17 . HA parsed_1abz 3 32 1 2 . . . . . . . . . 17 . HD+ parsed_1abz 3 33 1 1 . . . . . . . . . 19 . HA parsed_1abz 3 33 1 2 . . . . . . . . . 21 . HN parsed_1abz 3 34 1 1 . . . . . . . . . 19 . HG+ parsed_1abz 3 34 1 2 . . . . . . . . . 21 . HN parsed_1abz 3 35 1 1 . . . . . . . . . 21 . HA parsed_1abz 3 35 1 2 . . . . . . . . . 25 . HD* parsed_1abz 3 36 1 1 . . . . . . . . . 22 . HA parsed_1abz 3 36 1 2 . . . . . . . . . 25 . HB+ parsed_1abz 3 37 1 1 . . . . . . . . . 22 . HA parsed_1abz 3 37 1 2 . . . . . . . . . 25 . HD* parsed_1abz 3 38 1 1 . . . . . . . . . 22 . HB+ parsed_1abz 3 38 1 2 . . . . . . . . . 25 . HD* parsed_1abz 3 39 1 1 . . . . . . . . . 22 . HB+ parsed_1abz 3 39 1 2 . . . . . . . . . 25 . HD* parsed_1abz 3 40 1 1 . . . . . . . . . 25 . HD* parsed_1abz 3 40 1 2 . . . . . . . . . 26 . HH* parsed_1abz 3 41 1 1 . . . . . . . . . 28 . HA parsed_1abz 3 41 1 2 . . . . . . . . . 31 . HD+ parsed_1abz 3 42 1 1 . . . . . . . . . 28 . HA parsed_1abz 3 42 1 2 . . . . . . . . . 32 . HN parsed_1abz 3 43 1 1 . . . . . . . . . 28 . HG+ parsed_1abz 3 43 1 2 . . . . . . . . . 32 . HD* parsed_1abz 3 44 1 1 . . . . . . . . . 28 . HG+ parsed_1abz 3 44 1 2 . . . . . . . . . 32 . HB+ parsed_1abz 3 45 1 1 . . . . . . . . . 29 . HA parsed_1abz 3 45 1 2 . . . . . . . . . 32 . HD* parsed_1abz 3 46 1 1 . . . . . . . . . 29 . HA parsed_1abz 3 46 1 2 . . . . . . . . . 31 . HN parsed_1abz 3 47 1 1 . . . . . . . . . 32 . HG parsed_1abz 3 47 1 2 . . . . . . . . . 36 . HG* parsed_1abz 3 48 1 1 . . . . . . . . . 33 . HA parsed_1abz 3 48 1 2 . . . . . . . . . 36 . HD* parsed_1abz 3 49 1 1 . . . . . . . . . 33 . HG+ parsed_1abz 3 49 1 2 . . . . . . . . . 36 . HG* parsed_1abz 3 50 1 1 . . . . . . . . . 34 . HA parsed_1abz 3 50 1 2 . . . . . . . . . 36 . HN parsed_1abz 3 51 1 1 . . . . . . . . . 36 . HA parsed_1abz 3 51 1 2 . . . . . . . . . 38 . HN+ parsed_1abz 3 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 . . . . . 3.50 2.00 5.00 parsed_1abz 3 2 1 . . . . . 3.50 2.00 5.00 parsed_1abz 3 3 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 4 1 . . . . . 4.50 2.00 7.00 parsed_1abz 3 5 1 . . . . . 3.50 2.00 5.00 parsed_1abz 3 6 1 . . . . . 3.60 2.00 5.20 parsed_1abz 3 7 1 . . . . . 3.50 2.00 5.00 parsed_1abz 3 8 1 . . . . . 3.80 2.00 5.60 parsed_1abz 3 9 1 . . . . . 3.60 2.00 5.20 parsed_1abz 3 10 1 . . . . . 3.85 2.00 5.70 parsed_1abz 3 11 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 12 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 13 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 14 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 15 1 . . . . . 4.20 2.00 6.40 parsed_1abz 3 16 1 . . . . . 4.50 2.00 7.00 parsed_1abz 3 17 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 18 1 . . . . . 4.50 2.00 7.00 parsed_1abz 3 19 1 . . . . . 3.80 2.00 5.60 parsed_1abz 3 20 1 . . . . . 4.50 2.00 7.00 parsed_1abz 3 21 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 22 1 . . . . . 4.50 2.00 7.00 parsed_1abz 3 23 1 . . . . . 3.50 2.00 5.00 parsed_1abz 3 24 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 25 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 26 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 27 1 . . . . . 4.50 2.00 7.00 parsed_1abz 3 28 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 29 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 30 1 . . . . . 3.60 2.00 5.20 parsed_1abz 3 31 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 32 1 . . . . . 3.60 2.00 5.20 parsed_1abz 3 33 1 . . . . . 3.40 2.00 4.80 parsed_1abz 3 34 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 35 1 . . . . . 4.50 2.00 7.00 parsed_1abz 3 36 1 . . . . . 3.40 2.00 4.80 parsed_1abz 3 37 1 . . . . . 3.50 2.00 5.00 parsed_1abz 3 38 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 39 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 40 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 41 1 . . . . . 3.40 2.00 4.80 parsed_1abz 3 42 1 . . . . . 3.50 2.00 5.00 parsed_1abz 3 43 1 . . . . . 4.50 2.00 7.00 parsed_1abz 3 44 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 45 1 . . . . . 3.80 2.00 5.60 parsed_1abz 3 46 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 47 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 48 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 49 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 50 1 . . . . . 4.00 2.00 6.00 parsed_1abz 3 51 1 . . . . . 3.40 2.00 4.80 parsed_1abz 3 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 "End of NOE restraints" 54 1 54 1 parsed_1abz 3 stop_ save_ save_MR_file_comment_8 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1abz _Org_constr_file_comment.ID 5 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 8 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; ! dihedral restraints for yf4 ! phi angle restraints restraints dihedral ; save_ save_CNS/XPLOR_dihedral_9 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1abz _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 9 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1abz 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_1abz 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_1abz 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1abz 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1abz 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1abz 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1abz 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1abz 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1abz 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1abz 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1abz 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1abz 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1abz 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1abz 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1abz 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1abz 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1abz 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1abz 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1abz 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1abz 1 stop_ save_ save_MR_file_comment_10 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1abz _Org_constr_file_comment.ID 6 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 10 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; end ; save_
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