NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype | item_count |
32932 | 1hfg | 4914 | cing | recoord | 2-parsed | STAR | distance | NOE | simple | 57 |
data_1hfg_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1hfg _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_1hfg 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1hfg _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 1hfg "Master copy" parsed_1hfg stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1hfg _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 1hfg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1hfg 1 1 1hfg.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1hfg 1 1 1hfg.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 22 parsed_1hfg 1 1 1hfg.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1hfg 1 1 1hfg.mr . . XPLOR/CNS 5 distance NOE simple 172 parsed_1hfg 1 1 1hfg.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1hfg 1 1 1hfg.mr . . XPLOR/CNS 7 distance NOE simple 29 parsed_1hfg 1 1 1hfg.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1hfg 1 1 1hfg.mr . . XPLOR/CNS 9 distance NOE simple 57 parsed_1hfg 1 1 1hfg.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1hfg 1 1 1hfg.mr . . XPLOR/CNS 11 distance NOE simple 0 parsed_1hfg 1 1 1hfg.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1hfg 1 1 1hfg.mr . . XPLOR/CNS 13 distance NOE simple 0 parsed_1hfg 1 1 1hfg.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1hfg 1 1 1hfg.mr . . XPLOR/CNS 15 distance NOE simple 0 parsed_1hfg 1 1 1hfg.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1hfg 1 1 1hfg.mr . . XPLOR/CNS 17 distance NOE simple 0 parsed_1hfg 1 1 1hfg.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 parsed_1hfg 1 1 1hfg.mr . . XPLOR/CNS 19 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1hfg 1 1 1hfg.mr . . n/a 20 comment "Not applicable" "Not applicable" 0 parsed_1hfg 1 1 1hfg.mr . . "MR format" 21 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1hfg 1 stop_ save_ save_CNS/XPLOR_distance_constraints_9 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1hfg _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 9 _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_1hfg 1 2 1 . . . parsed_1hfg 1 3 1 . . . parsed_1hfg 1 4 1 . . . parsed_1hfg 1 5 1 . . . parsed_1hfg 1 6 1 . . . parsed_1hfg 1 7 1 . . . parsed_1hfg 1 8 1 . . . parsed_1hfg 1 9 1 . . . parsed_1hfg 1 10 1 . . . parsed_1hfg 1 11 1 . . . parsed_1hfg 1 12 1 . . . parsed_1hfg 1 13 1 . . . parsed_1hfg 1 14 1 . . . parsed_1hfg 1 15 1 . . . parsed_1hfg 1 16 1 . . . parsed_1hfg 1 17 1 . . . parsed_1hfg 1 18 1 . . . parsed_1hfg 1 19 1 . . . parsed_1hfg 1 20 1 . . . parsed_1hfg 1 21 1 . . . parsed_1hfg 1 22 1 . . . parsed_1hfg 1 23 1 . . . parsed_1hfg 1 24 1 . . . parsed_1hfg 1 25 1 . . . parsed_1hfg 1 26 1 . . . parsed_1hfg 1 27 1 . . . parsed_1hfg 1 28 1 . . . parsed_1hfg 1 29 1 . . . parsed_1hfg 1 30 1 . . . parsed_1hfg 1 31 1 . . . parsed_1hfg 1 32 1 . . . parsed_1hfg 1 33 1 . . . parsed_1hfg 1 34 1 . . . parsed_1hfg 1 35 1 . . . parsed_1hfg 1 36 1 . . . parsed_1hfg 1 37 1 . . . parsed_1hfg 1 38 1 . . . parsed_1hfg 1 39 1 . . . parsed_1hfg 1 40 1 . . . parsed_1hfg 1 41 1 . . . parsed_1hfg 1 42 1 . . . parsed_1hfg 1 43 1 . . . parsed_1hfg 1 44 1 . . . parsed_1hfg 1 45 1 . . . parsed_1hfg 1 46 1 . . . parsed_1hfg 1 47 1 . . . parsed_1hfg 1 48 1 . . . parsed_1hfg 1 49 1 . . . parsed_1hfg 1 50 1 . . . parsed_1hfg 1 51 1 . . . parsed_1hfg 1 52 1 . . . parsed_1hfg 1 53 1 . . . parsed_1hfg 1 54 1 . . . parsed_1hfg 1 55 1 . . . parsed_1hfg 1 56 1 . . . parsed_1hfg 1 57 1 . . . parsed_1hfg 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 . . . . . . . . . 12 . HA parsed_1hfg 1 1 1 2 . . . . . . . . . 14 . HN parsed_1hfg 1 2 1 1 . . . . . . . . . 21 . HA parsed_1hfg 1 2 1 2 . . . . . . . . . 23 . HN parsed_1hfg 1 3 1 1 . . . . . . . . . 22 . HA parsed_1hfg 1 3 1 2 . . . . . . . . . 24 . HN parsed_1hfg 1 4 1 1 . . . . . . . . . 23 . HA parsed_1hfg 1 4 1 2 . . . . . . . . . 25 . HN parsed_1hfg 1 5 1 1 . . . . . . . . . 22 . HA parsed_1hfg 1 5 1 2 . . . . . . . . . 25 . HN parsed_1hfg 1 6 1 1 . . . . . . . . . 57 . HA parsed_1hfg 1 6 1 2 . . . . . . . . . 60 . HN parsed_1hfg 1 7 1 1 . . . . . . . . . 58 . HA parsed_1hfg 1 7 1 2 . . . . . . . . . 61 . HN parsed_1hfg 1 8 1 1 . . . . . . . . . 60 . HA parsed_1hfg 1 8 1 2 . . . . . . . . . 63 . HN parsed_1hfg 1 9 1 1 . . . . . . . . . 61 . HA parsed_1hfg 1 9 1 2 . . . . . . . . . 64 . HN parsed_1hfg 1 10 1 1 . . . . . . . . . 62 . HA parsed_1hfg 1 10 1 2 . . . . . . . . . 65 . HN parsed_1hfg 1 11 1 1 . . . . . . . . . 57 . HA parsed_1hfg 1 11 1 2 . . . . . . . . . 61 . HN parsed_1hfg 1 12 1 1 . . . . . . . . . 58 . HA parsed_1hfg 1 12 1 2 . . . . . . . . . 62 . HN parsed_1hfg 1 13 1 1 . . . . . . . . . 16 . HB2 parsed_1hfg 1 13 1 2 . . . . . . . . . 18 . HN parsed_1hfg 1 14 1 1 . . . . . . . . . 32 . HB# parsed_1hfg 1 14 1 2 . . . . . . . . . 34 . HN parsed_1hfg 1 15 1 1 . . . . . . . . . 32 . HB# parsed_1hfg 1 15 1 2 . . . . . . . . . 35 . HN parsed_1hfg 1 16 1 1 . . . . . . . . . 35 . HB2 parsed_1hfg 1 16 1 2 . . . . . . . . . 37 . HN parsed_1hfg 1 17 1 1 . . . . . . . . . 35 . HB1 parsed_1hfg 1 17 1 2 . . . . . . . . . 37 . HN parsed_1hfg 1 18 1 1 . . . . . . . . . 56 . HB# parsed_1hfg 1 18 1 2 . . . . . . . . . 58 . HN parsed_1hfg 1 19 1 1 . . . . . . . . . 56 . HB# parsed_1hfg 1 19 1 2 . . . . . . . . . 59 . HN parsed_1hfg 1 20 1 1 . . . . . . . . . 56 . HB# parsed_1hfg 1 20 1 2 . . . . . . . . . 58 . HE1 parsed_1hfg 1 21 1 1 . . . . . . . . . 60 . HB# parsed_1hfg 1 21 1 2 . . . . . . . . . 58 . HN parsed_1hfg 1 22 1 1 . . . . . . . . . 16 . HE21 parsed_1hfg 1 22 1 2 . . . . . . . . . 18 . HN parsed_1hfg 1 23 1 1 . . . . . . . . . 16 . HE22 parsed_1hfg 1 23 1 2 . . . . . . . . . 18 . HN parsed_1hfg 1 24 1 1 . . . . . . . . . 21 . HB# parsed_1hfg 1 24 1 2 . . . . . . . . . 24 . HN parsed_1hfg 1 25 1 1 . . . . . . . . . 21 . HG# parsed_1hfg 1 25 1 2 . . . . . . . . . 24 . HN parsed_1hfg 1 26 1 1 . . . . . . . . . 24 . HD# parsed_1hfg 1 26 1 2 . . . . . . . . . 26 . HN parsed_1hfg 1 27 1 1 . . . . . . . . . 16 . HG# parsed_1hfg 1 27 1 2 . . . . . . . . . 18 . HN parsed_1hfg 1 28 1 1 . . . . . . . . . 44 . HG2# parsed_1hfg 1 28 1 2 . . . . . . . . . 48 . HN parsed_1hfg 1 29 1 1 . . . . . . . . . 48 . HN parsed_1hfg 1 29 1 2 . . . . . . . . . 44 . HN parsed_1hfg 1 30 1 1 . . . . . . . . . 59 . HN parsed_1hfg 1 30 1 2 . . . . . . . . . 61 . HN parsed_1hfg 1 31 1 1 . . . . . . . . . 60 . HB# parsed_1hfg 1 31 1 2 . . . . . . . . . 57 . HA parsed_1hfg 1 32 1 1 . . . . . . . . . 61 . HB# parsed_1hfg 1 32 1 2 . . . . . . . . . 58 . HA parsed_1hfg 1 33 1 1 . . . . . . . . . 62 . HB1 parsed_1hfg 1 33 1 2 . . . . . . . . . 59 . HA parsed_1hfg 1 34 1 1 . . . . . . . . . 62 . HB2 parsed_1hfg 1 34 1 2 . . . . . . . . . 59 . HA parsed_1hfg 1 35 1 1 . . . . . . . . . 63 . HB# parsed_1hfg 1 35 1 2 . . . . . . . . . 60 . HA parsed_1hfg 1 36 1 1 . . . . . . . . . 64 . HB# parsed_1hfg 1 36 1 2 . . . . . . . . . 61 . HA parsed_1hfg 1 37 1 1 . . . . . . . . . 65 . HB1 parsed_1hfg 1 37 1 2 . . . . . . . . . 62 . HA parsed_1hfg 1 38 1 1 . . . . . . . . . 65 . HB2 parsed_1hfg 1 38 1 2 . . . . . . . . . 62 . HA parsed_1hfg 1 39 1 1 . . . . . . . . . 66 . HB2 parsed_1hfg 1 39 1 2 . . . . . . . . . 63 . HA parsed_1hfg 1 40 1 1 . . . . . . . . . 31 . HA parsed_1hfg 1 40 1 2 . . . . . . . . . 29 . HD1 parsed_1hfg 1 41 1 1 . . . . . . . . . 31 . HA parsed_1hfg 1 41 1 2 . . . . . . . . . 29 . HE1 parsed_1hfg 1 42 1 1 . . . . . . . . . 21 . HB2 parsed_1hfg 1 42 1 2 . . . . . . . . . 23 . HG1# parsed_1hfg 1 43 1 1 . . . . . . . . . 21 . HB2 parsed_1hfg 1 43 1 2 . . . . . . . . . 23 . HG2# parsed_1hfg 1 44 1 1 . . . . . . . . . 53 . HB2 parsed_1hfg 1 44 1 2 . . . . . . . . . 56 . HG# parsed_1hfg 1 45 1 1 . . . . . . . . . 59 . HG2# parsed_1hfg 1 45 1 2 . . . . . . . . . 56 . HB# parsed_1hfg 1 46 1 1 . . . . . . . . . 60 . HD# parsed_1hfg 1 46 1 2 . . . . . . . . . 57 . HA parsed_1hfg 1 47 1 1 . . . . . . . . . 63 . HG# parsed_1hfg 1 47 1 2 . . . . . . . . . 60 . HA parsed_1hfg 1 48 1 1 . . . . . . . . . 25 . HD2# parsed_1hfg 1 48 1 2 . . . . . . . . . 22 . HA parsed_1hfg 1 49 1 1 . . . . . . . . . 62 . HD1# parsed_1hfg 1 49 1 2 . . . . . . . . . 58 . HE3 parsed_1hfg 1 50 1 1 . . . . . . . . . 62 . HD2# parsed_1hfg 1 50 1 2 . . . . . . . . . 58 . HE3 parsed_1hfg 1 51 1 1 . . . . . . . . . 62 . HD1# parsed_1hfg 1 51 1 2 . . . . . . . . . 58 . HZ3 parsed_1hfg 1 52 1 1 . . . . . . . . . 62 . HD1# parsed_1hfg 1 52 1 2 . . . . . . . . . 59 . HA parsed_1hfg 1 53 1 1 . . . . . . . . . 24 . HD# parsed_1hfg 1 53 1 2 . . . . . . . . . 21 . HD# parsed_1hfg 1 54 1 1 . . . . . . . . . 25 . HD# parsed_1hfg 1 54 1 2 . . . . . . . . . 22 . HA parsed_1hfg 1 55 1 1 . . . . . . . . . 28 . HE3 parsed_1hfg 1 55 1 2 . . . . . . . . . 30 . HA parsed_1hfg 1 56 1 1 . . . . . . . . . 66 . HD# parsed_1hfg 1 56 1 2 . . . . . . . . . 63 . HA parsed_1hfg 1 57 1 1 . . . . . . . . . 62 . HG parsed_1hfg 1 57 1 2 . . . . . . . . . 58 . HE3 parsed_1hfg 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 . . . . . 4.0 1.8 4.5 parsed_1hfg 1 2 1 . . . . . 4.0 1.8 4.5 parsed_1hfg 1 3 1 . . . . . 4.0 1.8 4.5 parsed_1hfg 1 4 1 . . . . . 4.0 1.8 4.5 parsed_1hfg 1 5 1 . . . . . 3.0 1.8 3.5 parsed_1hfg 1 6 1 . . . . . 3.0 1.8 3.5 parsed_1hfg 1 7 1 . . . . . 3.0 1.8 3.5 parsed_1hfg 1 8 1 . . . . . 3.0 1.8 3.5 parsed_1hfg 1 9 1 . . . . . 3.0 1.8 3.5 parsed_1hfg 1 10 1 . . . . . 3.0 1.8 3.5 parsed_1hfg 1 11 1 . . . . . 4.0 1.8 4.5 parsed_1hfg 1 12 1 . . . . . 5.0 1.8 5.5 parsed_1hfg 1 13 1 . . . . . 4.0 1.8 4.5 parsed_1hfg 1 14 1 . . . . . 4.0 1.8 5.5 parsed_1hfg 1 15 1 . . . . . 4.0 1.8 5.5 parsed_1hfg 1 16 1 . . . . . 4.0 1.8 4.5 parsed_1hfg 1 17 1 . . . . . 3.0 1.8 3.5 parsed_1hfg 1 18 1 . . . . . 3.0 1.8 4.5 parsed_1hfg 1 19 1 . . . . . 3.0 1.8 4.5 parsed_1hfg 1 20 1 . . . . . 3.0 1.8 4.5 parsed_1hfg 1 21 1 . . . . . 4.0 1.8 5.5 parsed_1hfg 1 22 1 . . . . . 5.0 1.8 5.5 parsed_1hfg 1 23 1 . . . . . 5.0 1.8 5.5 parsed_1hfg 1 24 1 . . . . . 5.0 1.8 6.5 parsed_1hfg 1 25 1 . . . . . 5.0 1.8 6.5 parsed_1hfg 1 26 1 . . . . . 4.0 1.8 6.5 parsed_1hfg 1 27 1 . . . . . 3.0 1.8 4.5 parsed_1hfg 1 28 1 . . . . . 3.0 1.8 4.0 parsed_1hfg 1 29 1 . . . . . 3.0 1.8 3.5 parsed_1hfg 1 30 1 . . . . . 4.0 1.8 4.5 parsed_1hfg 1 31 1 . . . . . 3.0 1.8 4.5 parsed_1hfg 1 32 1 . . . . . 3.0 1.8 4.5 parsed_1hfg 1 33 1 . . . . . 4.0 1.8 4.5 parsed_1hfg 1 34 1 . . . . . 4.0 1.8 4.5 parsed_1hfg 1 35 1 . . . . . 3.0 1.8 4.5 parsed_1hfg 1 36 1 . . . . . 3.0 1.8 4.5 parsed_1hfg 1 37 1 . . . . . 3.0 1.8 3.5 parsed_1hfg 1 38 1 . . . . . 3.0 1.8 3.5 parsed_1hfg 1 39 1 . . . . . 4.0 1.8 4.5 parsed_1hfg 1 40 1 . . . . . 4.0 1.8 4.5 parsed_1hfg 1 41 1 . . . . . 4.0 1.8 4.5 parsed_1hfg 1 42 1 . . . . . 4.0 1.8 5.0 parsed_1hfg 1 43 1 . . . . . 4.0 1.8 5.0 parsed_1hfg 1 44 1 . . . . . 3.0 1.8 4.5 parsed_1hfg 1 45 1 . . . . . 4.0 1.8 6.5 parsed_1hfg 1 46 1 . . . . . 3.0 1.8 4.5 parsed_1hfg 1 47 1 . . . . . 4.0 2.8 5.5 parsed_1hfg 1 48 1 . . . . . 3.0 1.8 5.5 parsed_1hfg 1 49 1 . . . . . 2.4 1.8 3.4 parsed_1hfg 1 50 1 . . . . . 5.0 1.8 6.0 parsed_1hfg 1 51 1 . . . . . 3.0 1.8 4.0 parsed_1hfg 1 52 1 . . . . . 3.0 1.8 4.0 parsed_1hfg 1 53 1 . . . . . 3.0 1.8 5.5 parsed_1hfg 1 54 1 . . . . . 4.0 1.8 6.5 parsed_1hfg 1 55 1 . . . . . 5.0 1.8 6.0 parsed_1hfg 1 56 1 . . . . . 4.0 1.8 6.5 parsed_1hfg 1 57 1 . . . . . 4.0 1.8 4.5 parsed_1hfg 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 HA(i)-HN(i+2) 1 1 1 16 parsed_1hfg 1 2 HA(i)-HN(i+3) 17 1 17 16 parsed_1hfg 1 3 HA(i)-HN(i+4) 35 1 35 16 parsed_1hfg 1 4 HB(i)-HN(i+2,3,4) 45 1 45 20 parsed_1hfg 1 5 "assign (resid 25 and name HB2 ) (resid 27 and name HN ) 4.0 2.2 0.5" 51 1 51 78 parsed_1hfg 1 6 ; assign (resid 32 and name HB1 ) (resid 34 and name HN ) 4.0 2.2 1.0 assign (resid 32 and name HB1 ) (resid 35 and name HN ) 4.0 2.2 1.0 ; 59 1 61 71 parsed_1hfg 1 7 ; assign (resid 60 and name HB2 ) (resid 58 and name HN ) 4.0 2.2 1.0 Others ; 79 1 83 9 parsed_1hfg 1 8 "assign (resid 24 and name HD2# ) (resid 26 and name HN ) 4.0 2.2 1.0" 97 1 97 71 parsed_1hfg 1 9 ; assign (resid 41 and name HG1# ) (resid 44 and name HN ) 2.4 0.6 1.0 assign (resid 41 and name HG12 ) (resid 44 and name HN ) 2.4 0.6 0.3 assign (resid 44 and name HG2# ) (resid 46 and name HN ) 4.0 2.2 1.0 ; 105 1 111 71 parsed_1hfg 1 10 HN(i)-HN(i+2,3,4) 117 1 117 20 parsed_1hfg 1 11 HA(i)-HB(i+3) 127 1 127 16 parsed_1hfg 1 12 Others 151 1 151 9 parsed_1hfg 1 13 "assign (resid 24 and name HD2# ) (resid 21 and name HD1 ) 3.0 1.2 0.5" 185 1 185 71 parsed_1hfg 1 14 "assign (resid 25 and name HD2# ) (resid 22 and name HA ) 4.0 2.2 1.0" 191 1 191 71 parsed_1hfg 1 15 "assign (resid 66 and name HD2# ) (resid 63 and name HA ) 4.0 2.2 1.0" 201 1 201 71 parsed_1hfg 1 stop_ save_
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