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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
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36744 |
1o8z ![]() ![]() |
cing | 2-parsed | STAR | entry | full | 76 |
data_1o8z_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1o8z _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_1o8z 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1o8z _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 1o8z "Master copy" parsed_1o8z stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1o8z _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 1o8z.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1o8z 1 1 1o8z.mr . . XPLOR/CNS 2 distance NOE simple 63 parsed_1o8z 1 1 1o8z.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1o8z 1 1 1o8z.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 5 parsed_1o8z 1 1 1o8z.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 8 parsed_1o8z 1 1 1o8z.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1o8z 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_1o8z _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 PROTEASE INHIBITOR 09-DEC-02 1O8Z *TITLE SOLUTION STRUCTURE OF SFTI-1(6,5), AN ACYCLIC PERMUTANT OF *TITLE 2 THE PROTEINASE INHIBITOR SFTI-1, CIS-TRANS-TRANS CONFORMER *TITLE 3 (CT-A) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CYCLIC TRYPSIN INHIBITOR; *COMPND 3 SYNOYM: SFTI-1; *COMPND 4 CHAIN: A; *COMPND 5 OTHER_DETAILS: ACYCLIC PERMUTANT OF SFTI-1, OPEN BETWEEN *COMPND 6 RESIDUES K5 AND S6 *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS L.; *SOURCE 4 ORGANISM_COMMON: SUNFLOWER; *SOURCE 5 TISSUE: SEED *KEYWDS BOWMAN-BIRK INHIBITOR, SFTI-1, ACYCLIC PERMUTANT *EXPDTA NMR, 20 STRUCTURES *AUTHOR U.C.MARX,D.J.CRAIK *REVDAT 1 04-FEB-03 1O8Z 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1o8z _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_1o8z 1 2 1 . . . parsed_1o8z 1 3 1 . . . parsed_1o8z 1 4 1 . . . parsed_1o8z 1 5 1 . . . parsed_1o8z 1 6 1 . . . parsed_1o8z 1 7 1 . . . parsed_1o8z 1 8 1 . . . parsed_1o8z 1 9 1 . . . parsed_1o8z 1 10 1 . . . parsed_1o8z 1 11 1 . . . parsed_1o8z 1 12 1 . . . parsed_1o8z 1 13 1 . . . parsed_1o8z 1 14 1 . . . parsed_1o8z 1 15 1 . . . parsed_1o8z 1 16 1 . . . parsed_1o8z 1 17 1 . . . parsed_1o8z 1 18 1 . . . parsed_1o8z 1 19 1 . . . parsed_1o8z 1 20 1 . . . parsed_1o8z 1 21 1 . . . parsed_1o8z 1 22 1 . . . parsed_1o8z 1 23 1 . . . parsed_1o8z 1 24 1 . . . parsed_1o8z 1 25 1 . . . parsed_1o8z 1 26 1 . . . parsed_1o8z 1 27 1 . . . parsed_1o8z 1 28 1 . . . parsed_1o8z 1 29 1 . . . parsed_1o8z 1 30 1 . . . parsed_1o8z 1 31 1 . . . parsed_1o8z 1 32 1 . . . parsed_1o8z 1 33 1 . . . parsed_1o8z 1 34 1 . . . parsed_1o8z 1 35 1 . . . parsed_1o8z 1 36 1 . . . parsed_1o8z 1 37 1 . . . parsed_1o8z 1 38 1 . . . parsed_1o8z 1 39 1 . . . parsed_1o8z 1 40 1 . . . parsed_1o8z 1 41 1 . . . parsed_1o8z 1 42 1 . . . parsed_1o8z 1 43 1 . . . parsed_1o8z 1 44 1 . . . parsed_1o8z 1 45 1 . . . parsed_1o8z 1 46 1 . . . parsed_1o8z 1 47 1 . . . parsed_1o8z 1 48 1 . . . parsed_1o8z 1 49 1 . . . parsed_1o8z 1 50 1 . . . parsed_1o8z 1 51 1 . . . parsed_1o8z 1 52 1 . . . parsed_1o8z 1 53 1 . . . parsed_1o8z 1 54 1 . . . parsed_1o8z 1 55 1 . . . parsed_1o8z 1 56 1 . . . parsed_1o8z 1 57 1 . . . parsed_1o8z 1 58 1 . . . parsed_1o8z 1 59 1 . . . parsed_1o8z 1 60 1 . . . parsed_1o8z 1 61 1 . . . parsed_1o8z 1 62 1 . . . parsed_1o8z 1 63 1 . . . parsed_1o8z 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 . . . . . . . . . 13 . HN parsed_1o8z 1 1 1 2 . . . . . . . . . 5 . HN parsed_1o8z 1 2 1 1 . . . . . . . . . 7 . HN parsed_1o8z 1 2 1 2 . . . . . . . . . 11 . HN parsed_1o8z 1 3 1 1 . . . . . . . . . 13 . HN parsed_1o8z 1 3 1 2 . . . . . . . . . 14 . HN parsed_1o8z 1 4 1 1 . . . . . . . . . 10 . HN parsed_1o8z 1 4 1 2 . . . . . . . . . 9 . HN parsed_1o8z 1 5 1 1 . . . . . . . . . 10 . HN parsed_1o8z 1 5 1 2 . . . . . . . . . 11 . HN parsed_1o8z 1 6 1 1 . . . . . . . . . 11 . HN parsed_1o8z 1 6 1 2 . . . . . . . . . 12 . HN parsed_1o8z 1 7 1 1 . . . . . . . . . 6 . HN parsed_1o8z 1 7 1 2 . . . . . . . . . 7 . HN parsed_1o8z 1 8 1 1 . . . . . . . . . 6 . HN parsed_1o8z 1 8 1 2 . . . . . . . . . 5 . HN parsed_1o8z 1 9 1 1 . . . . . . . . . 13 . HN parsed_1o8z 1 9 1 2 . . . . . . . . . 12 . HA parsed_1o8z 1 10 1 1 . . . . . . . . . 7 . HN parsed_1o8z 1 10 1 2 . . . . . . . . . 12 . HA parsed_1o8z 1 11 1 1 . . . . . . . . . 7 . HN parsed_1o8z 1 11 1 2 . . . . . . . . . 6 . HA parsed_1o8z 1 12 1 1 . . . . . . . . . 6 . HN parsed_1o8z 1 12 1 2 . . . . . . . . . 12 . HA parsed_1o8z 1 13 1 1 . . . . . . . . . 10 . HN parsed_1o8z 1 13 1 2 . . . . . . . . . 9 . HA parsed_1o8z 1 14 1 1 . . . . . . . . . 12 . HN parsed_1o8z 1 14 1 2 . . . . . . . . . 11 . HA parsed_1o8z 1 15 1 1 . . . . . . . . . 14 . HN parsed_1o8z 1 15 1 2 . . . . . . . . . 13 . HB parsed_1o8z 1 16 1 1 . . . . . . . . . 14 . HN parsed_1o8z 1 16 1 2 . . . . . . . . . 13 . HA parsed_1o8z 1 17 1 1 . . . . . . . . . 9 . HN parsed_1o8z 1 17 1 2 . . . . . . . . . 8 . HA parsed_1o8z 1 18 1 1 . . . . . . . . . 7 . HD* parsed_1o8z 1 18 1 2 . . . . . . . . . 8 . HD2 parsed_1o8z 1 19 1 1 . . . . . . . . . 7 . HD* parsed_1o8z 1 19 1 2 . . . . . . . . . 8 . HD1 parsed_1o8z 1 20 1 1 . . . . . . . . . 7 . HD* parsed_1o8z 1 20 1 2 . . . . . . . . . 5 . HG2* parsed_1o8z 1 21 1 1 . . . . . . . . . 7 . HE* parsed_1o8z 1 21 1 2 . . . . . . . . . 5 . HG2* parsed_1o8z 1 22 1 1 . . . . . . . . . 7 . HD* parsed_1o8z 1 22 1 2 . . . . . . . . . 13 . HG2* parsed_1o8z 1 23 1 1 . . . . . . . . . 7 . HD* parsed_1o8z 1 23 1 2 . . . . . . . . . 11 . HB2 parsed_1o8z 1 24 1 1 . . . . . . . . . 7 . HD* parsed_1o8z 1 24 1 2 . . . . . . . . . 11 . HB1 parsed_1o8z 1 25 1 1 . . . . . . . . . 7 . HD* parsed_1o8z 1 25 1 2 . . . . . . . . . 12 . HA parsed_1o8z 1 26 1 1 . . . . . . . . . 7 . HD* parsed_1o8z 1 26 1 2 . . . . . . . . . 6 . HA parsed_1o8z 1 27 1 1 . . . . . . . . . 11 . HN parsed_1o8z 1 27 1 2 . . . . . . . . . 10 . HA2 parsed_1o8z 1 28 1 1 . . . . . . . . . 11 . HN parsed_1o8z 1 28 1 2 . . . . . . . . . 10 . HA1 parsed_1o8z 1 29 1 1 . . . . . . . . . 9 . HN parsed_1o8z 1 29 1 2 . . . . . . . . . 8 . HD2 parsed_1o8z 1 30 1 1 . . . . . . . . . 6 . HN parsed_1o8z 1 30 1 2 . . . . . . . . . 5 . HA parsed_1o8z 1 31 1 1 . . . . . . . . . 2 . HN parsed_1o8z 1 31 1 2 . . . . . . . . . 3 . HD2 parsed_1o8z 1 32 1 1 . . . . . . . . . 13 . HN parsed_1o8z 1 32 1 2 . . . . . . . . . 12 . HB2 parsed_1o8z 1 33 1 1 . . . . . . . . . 13 . HN parsed_1o8z 1 33 1 2 . . . . . . . . . 12 . HB1 parsed_1o8z 1 34 1 1 . . . . . . . . . 9 . HN parsed_1o8z 1 34 1 2 . . . . . . . . . 8 . HB1 parsed_1o8z 1 35 1 1 . . . . . . . . . 9 . HN parsed_1o8z 1 35 1 2 . . . . . . . . . 7 . HB1 parsed_1o8z 1 36 1 1 . . . . . . . . . 9 . HN parsed_1o8z 1 36 1 2 . . . . . . . . . 7 . HB2 parsed_1o8z 1 37 1 1 . . . . . . . . . 11 . HN parsed_1o8z 1 37 1 2 . . . . . . . . . 7 . HB2 parsed_1o8z 1 38 1 1 . . . . . . . . . 11 . HN parsed_1o8z 1 38 1 2 . . . . . . . . . 7 . HB1 parsed_1o8z 1 39 1 1 . . . . . . . . . 7 . HN parsed_1o8z 1 39 1 2 . . . . . . . . . 6 . HB* parsed_1o8z 1 40 1 1 . . . . . . . . . 6 . HN parsed_1o8z 1 40 1 2 . . . . . . . . . 5 . HB parsed_1o8z 1 41 1 1 . . . . . . . . . 6 . HN parsed_1o8z 1 41 1 2 . . . . . . . . . 5 . HG2* parsed_1o8z 1 42 1 1 . . . . . . . . . 9 . HN parsed_1o8z 1 42 1 2 . . . . . . . . . 8 . HB2 parsed_1o8z 1 43 1 1 . . . . . . . . . 9 . HN parsed_1o8z 1 43 1 2 . . . . . . . . . 8 . HG1 parsed_1o8z 1 44 1 1 . . . . . . . . . 14 . HN parsed_1o8z 1 44 1 2 . . . . . . . . . 13 . HG2* parsed_1o8z 1 45 1 1 . . . . . . . . . 12 . HN parsed_1o8z 1 45 1 2 . . . . . . . . . 11 . HG* parsed_1o8z 1 46 1 1 . . . . . . . . . 12 . HA parsed_1o8z 1 46 1 2 . . . . . . . . . 6 . HA parsed_1o8z 1 47 1 1 . . . . . . . . . 12 . HA parsed_1o8z 1 47 1 2 . . . . . . . . . 6 . HB* parsed_1o8z 1 48 1 1 . . . . . . . . . 6 . HA parsed_1o8z 1 48 1 2 . . . . . . . . . 12 . HB2 parsed_1o8z 1 49 1 1 . . . . . . . . . 7 . HA parsed_1o8z 1 49 1 2 . . . . . . . . . 8 . HD2 parsed_1o8z 1 50 1 1 . . . . . . . . . 7 . HA parsed_1o8z 1 50 1 2 . . . . . . . . . 8 . HD1 parsed_1o8z 1 51 1 1 . . . . . . . . . 10 . HN parsed_1o8z 1 51 1 2 . . . . . . . . . 8 . HA parsed_1o8z 1 52 1 1 . . . . . . . . . 8 . HD1 parsed_1o8z 1 52 1 2 . . . . . . . . . 7 . HB1 parsed_1o8z 1 53 1 1 . . . . . . . . . 8 . HD2 parsed_1o8z 1 53 1 2 . . . . . . . . . 7 . HB1 parsed_1o8z 1 54 1 1 . . . . . . . . . 8 . HD1 parsed_1o8z 1 54 1 2 . . . . . . . . . 7 . HB2 parsed_1o8z 1 55 1 1 . . . . . . . . . 8 . HD2 parsed_1o8z 1 55 1 2 . . . . . . . . . 7 . HB2 parsed_1o8z 1 56 1 1 . . . . . . . . . 5 . HA parsed_1o8z 1 56 1 2 . . . . . . . . . 6 . HB* parsed_1o8z 1 57 1 1 . . . . . . . . . 5 . HN parsed_1o8z 1 57 1 2 . . . . . . . . . 4 . HA parsed_1o8z 1 58 1 1 . . . . . . . . . 2 . HN parsed_1o8z 1 58 1 2 . . . . . . . . . 1 . HA parsed_1o8z 1 59 1 1 . . . . . . . . . 2 . HN parsed_1o8z 1 59 1 2 . . . . . . . . . 1 . HB* parsed_1o8z 1 60 1 1 . . . . . . . . . 2 . HG2* parsed_1o8z 1 60 1 2 . . . . . . . . . 3 . HA parsed_1o8z 1 61 1 1 . . . . . . . . . 3 . HA parsed_1o8z 1 61 1 2 . . . . . . . . . 2 . HA parsed_1o8z 1 62 1 1 . . . . . . . . . 3 . HA parsed_1o8z 1 62 1 2 . . . . . . . . . 4 . HD1 parsed_1o8z 1 63 1 1 . . . . . . . . . 3 . HA parsed_1o8z 1 63 1 2 . . . . . . . . . 4 . HD2 parsed_1o8z 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 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 2 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 3 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 4 1 . . . . . 0.0 0.0 2.7 parsed_1o8z 1 5 1 . . . . . 0.0 0.0 2.7 parsed_1o8z 1 6 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 7 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 8 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 9 1 . . . . . 0.0 0.0 2.7 parsed_1o8z 1 10 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 11 1 . . . . . 0.0 0.0 2.7 parsed_1o8z 1 12 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 13 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 14 1 . . . . . 0.0 0.0 2.7 parsed_1o8z 1 15 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 16 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 17 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 18 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 19 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 20 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 21 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 22 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 23 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 24 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 25 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 26 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 27 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 28 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 29 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 30 1 . . . . . 0.0 0.0 2.7 parsed_1o8z 1 31 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 32 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 33 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 34 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 35 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 36 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 37 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 38 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 39 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 40 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 41 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 42 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 43 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 44 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 45 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 46 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 47 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 48 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 49 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 50 1 . . . . . 0.0 0.0 2.7 parsed_1o8z 1 51 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 52 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 53 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 54 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 55 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 56 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 57 1 . . . . . 0.0 0.0 2.7 parsed_1o8z 1 58 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 59 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 60 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 1 61 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 62 1 . . . . . 0.0 0.0 3.5 parsed_1o8z 1 63 1 . . . . . 0.0 0.0 5.0 parsed_1o8z 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 "NOE restraints:" 2 1 2 17 parsed_1o8z 1 stop_ save_ save_MR_file_comment_3 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1o8z _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 3 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; !Dihedral angle restraints: (resid 12 and name ca) (resid 12 and name c) 10 -120.0 40.0 2 ; save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1o8z _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1o8z 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1o8z 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . n . 12 . ca . 12 . cb . 12 . sg parsed_1o8z 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . n . 7 . ca . 7 . cb . 7 . cg parsed_1o8z 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 9 . n . 9 . ca . 9 . cb . 9 . cg parsed_1o8z 1 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1o8z _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _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_1o8z 2 2 1 . . . parsed_1o8z 2 3 1 . . . parsed_1o8z 2 4 1 . . . parsed_1o8z 2 5 1 . . . parsed_1o8z 2 6 1 . . . parsed_1o8z 2 7 1 . . . parsed_1o8z 2 8 1 . . . parsed_1o8z 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 . . . . . . . . . 5 . hn parsed_1o8z 2 1 1 2 . . . . . . . . . 13 . og1 parsed_1o8z 2 2 1 1 . . . . . . . . . 5 . n parsed_1o8z 2 2 1 2 . . . . . . . . . 13 . og1 parsed_1o8z 2 3 1 1 . . . . . . . . . 10 . hn parsed_1o8z 2 3 1 2 . . . . . . . . . 7 . o parsed_1o8z 2 4 1 1 . . . . . . . . . 10 . n parsed_1o8z 2 4 1 2 . . . . . . . . . 7 . o parsed_1o8z 2 5 1 1 . . . . . . . . . 7 . hn parsed_1o8z 2 5 1 2 . . . . . . . . . 11 . o parsed_1o8z 2 6 1 1 . . . . . . . . . 7 . n parsed_1o8z 2 6 1 2 . . . . . . . . . 11 . o parsed_1o8z 2 7 1 1 . . . . . . . . . 11 . hn parsed_1o8z 2 7 1 2 . . . . . . . . . 9 . od1 parsed_1o8z 2 8 1 1 . . . . . . . . . 11 . n parsed_1o8z 2 8 1 2 . . . . . . . . . 9 . od1 parsed_1o8z 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 . . . . . 0.0 0.0 2.3 parsed_1o8z 2 2 1 . . . . . 0.0 0.0 3.1 parsed_1o8z 2 3 1 . . . . . 0.0 0.0 2.3 parsed_1o8z 2 4 1 . . . . . 0.0 0.0 3.1 parsed_1o8z 2 5 1 . . . . . 0.0 0.0 2.3 parsed_1o8z 2 6 1 . . . . . 0.0 0.0 3.1 parsed_1o8z 2 7 1 . . . . . 0.0 0.0 2.3 parsed_1o8z 2 8 1 . . . . . 0.0 0.0 3.1 parsed_1o8z 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 H-bonds: 1 1 1 10 parsed_1o8z 2 stop_ save_
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