NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
29268 | 1aou | cing | 2-parsed | STAR | distance | NOE | ambi | 105 |
data_1aou_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1aou _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_1aou 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1aou _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 1aou "Master copy" parsed_1aou stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1aou _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 1aou.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1aou 1 1 1aou.mr . . XPLOR/CNS 2 distance NOE simple 1400 parsed_1aou 1 1 1aou.mr . . XPLOR/CNS 3 distance NOE ambi 105 parsed_1aou 1 1 1aou.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_1aou 1 1 1aou.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1aou 1 1 1aou.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1aou 1 1 1aou.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1aou 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1aou _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_1aou 1 2 1 . . . parsed_1aou 1 3 1 . . . parsed_1aou 1 4 1 . . . parsed_1aou 1 5 1 . . . parsed_1aou 1 6 1 . . . parsed_1aou 1 7 1 . . . parsed_1aou 1 8 1 . . . parsed_1aou 1 9 1 . . . parsed_1aou 1 10 1 . . . parsed_1aou 1 11 1 . . . parsed_1aou 1 12 1 . . . parsed_1aou 1 13 1 . . . parsed_1aou 1 14 1 . . . parsed_1aou 1 15 1 . . . parsed_1aou 1 16 1 . . . parsed_1aou 1 17 1 . . . parsed_1aou 1 18 1 . . . parsed_1aou 1 19 1 . . . parsed_1aou 1 20 1 . . . parsed_1aou 1 21 1 . . . parsed_1aou 1 22 1 . . . parsed_1aou 1 23 1 . . . parsed_1aou 1 24 1 . . . parsed_1aou 1 25 1 . . . parsed_1aou 1 26 1 . . . parsed_1aou 1 27 1 . . . parsed_1aou 1 28 1 . . . parsed_1aou 1 29 1 . . . parsed_1aou 1 30 1 . . . parsed_1aou 1 31 1 . . . parsed_1aou 1 32 1 . . . parsed_1aou 1 33 1 . . . parsed_1aou 1 34 1 . . . parsed_1aou 1 35 1 . . . parsed_1aou 1 36 1 . . . parsed_1aou 1 37 1 . . . parsed_1aou 1 38 1 . . . parsed_1aou 1 39 1 . . . parsed_1aou 1 40 1 . . . parsed_1aou 1 41 1 . . . parsed_1aou 1 42 1 . . . parsed_1aou 1 43 1 . . . parsed_1aou 1 44 1 . . . parsed_1aou 1 45 1 . . . parsed_1aou 1 46 1 . . . parsed_1aou 1 47 1 . . . parsed_1aou 1 48 1 . . . parsed_1aou 1 49 1 . . . parsed_1aou 1 50 1 . . . parsed_1aou 1 51 1 . . . parsed_1aou 1 52 1 . . . parsed_1aou 1 53 1 . . . parsed_1aou 1 54 1 . . . parsed_1aou 1 55 1 . . . parsed_1aou 1 56 1 . . . parsed_1aou 1 57 1 . . . parsed_1aou 1 58 1 . . . parsed_1aou 1 59 1 . . . parsed_1aou 1 60 1 . . . parsed_1aou 1 61 1 . . . parsed_1aou 1 62 1 . . . parsed_1aou 1 63 1 . . . parsed_1aou 1 64 1 . . . parsed_1aou 1 65 1 . . . parsed_1aou 1 66 1 . . . parsed_1aou 1 67 1 . . . parsed_1aou 1 68 1 . . . parsed_1aou 1 69 1 . . . parsed_1aou 1 70 1 . . . parsed_1aou 1 71 1 . . . parsed_1aou 1 72 1 . . . parsed_1aou 1 73 1 . . . parsed_1aou 1 74 1 . . . parsed_1aou 1 75 1 . . . parsed_1aou 1 76 1 . . . parsed_1aou 1 77 1 . . . parsed_1aou 1 78 1 . . . parsed_1aou 1 79 1 . . . parsed_1aou 1 80 1 . . . parsed_1aou 1 81 1 . . . parsed_1aou 1 82 1 . . . parsed_1aou 1 83 1 . . . parsed_1aou 1 84 1 . . . parsed_1aou 1 85 1 . . . parsed_1aou 1 86 1 . . . parsed_1aou 1 87 1 . . . parsed_1aou 1 88 1 . . . parsed_1aou 1 89 1 . . . parsed_1aou 1 90 1 . . . parsed_1aou 1 91 1 . . . parsed_1aou 1 92 1 . . . parsed_1aou 1 93 1 . . . parsed_1aou 1 94 1 . . . parsed_1aou 1 95 1 . . . parsed_1aou 1 96 1 . . . parsed_1aou 1 97 1 . . . parsed_1aou 1 98 1 . . . parsed_1aou 1 99 1 . . . parsed_1aou 1 100 1 . . . parsed_1aou 1 101 1 . . . parsed_1aou 1 102 1 . . . parsed_1aou 1 103 1 . . . parsed_1aou 1 104 1 . . . parsed_1aou 1 105 1 . . . parsed_1aou 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 . . . . . . . . fSH2 60 . hd2 parsed_1aou 1 1 1 1 . . . . . . . . fSH2 204 . he* parsed_1aou 1 1 1 2 . . . . . . . . fSH2 60 . hb1 parsed_1aou 1 2 1 1 . . . . . . . . fSH2 60 . hd2 parsed_1aou 1 2 1 1 . . . . . . . . fSH2 204 . he* parsed_1aou 1 2 1 2 . . . . . . . . fSH2 60 . hb2 parsed_1aou 1 3 1 1 . . . . . . . . fSH2 204 . hn parsed_1aou 1 3 1 1 . . . . . . . . fSH2 205 . hn parsed_1aou 1 3 1 2 . . . . . . . . fSH2 204 . ha parsed_1aou 1 4 1 1 . . . . . . . . fSH2 204 . hn parsed_1aou 1 4 1 1 . . . . . . . . fSH2 205 . hn parsed_1aou 1 4 1 2 . . . . . . . . fSH2 204 . hb1 parsed_1aou 1 5 1 1 . . . . . . . . fSH2 204 . hn parsed_1aou 1 5 1 1 . . . . . . . . fSH2 205 . hn parsed_1aou 1 5 1 2 . . . . . . . . fSH2 204 . hb2 parsed_1aou 1 6 1 1 . . . . . . . . fSH2 204 . hn parsed_1aou 1 6 1 1 . . . . . . . . fSH2 205 . hn parsed_1aou 1 6 1 2 . . . . . . . . fSH2 204 . hd* parsed_1aou 1 7 1 1 . . . . . . . . fSH2 207 . hd1* parsed_1aou 1 7 1 1 . . . . . . . . fSH2 207 . hg2* parsed_1aou 1 7 1 2 . . . . . . . . fSH2 207 . hn parsed_1aou 1 8 1 1 . . . . . . . . fSH2 207 . hd1* parsed_1aou 1 8 1 1 . . . . . . . . fSH2 207 . hg2* parsed_1aou 1 8 1 2 . . . . . . . . fSH2 74 . hb parsed_1aou 1 9 1 1 . . . . . . . . fSH2 75 . hg2* parsed_1aou 1 9 1 1 . . . . . . . . fSH2 207 . hd1* parsed_1aou 1 9 1 1 . . . . . . . . fSH2 207 . hg2* parsed_1aou 1 9 1 2 . . . . . . . . fSH2 75 . hn parsed_1aou 1 10 1 1 . . . . . . . . fSH2 207 . hd1* parsed_1aou 1 10 1 1 . . . . . . . . fSH2 207 . hg2* parsed_1aou 1 10 1 2 . . . . . . . . fSH2 75 . hn parsed_1aou 1 11 1 1 . . . . . . . . fSH2 209 . hd1* parsed_1aou 1 11 1 1 . . . . . . . . fSH2 209 . hg2* parsed_1aou 1 11 1 2 . . . . . . . . fSH2 209 . hn parsed_1aou 1 12 1 1 . . . . . . . . fSH2 209 . hd1* parsed_1aou 1 12 1 1 . . . . . . . . fSH2 209 . hg2* parsed_1aou 1 12 1 2 . . . . . . . . fSH2 210 . hn parsed_1aou 1 13 1 1 . . . . . . . . fSH2 211 . hb* parsed_1aou 1 13 1 1 . . . . . . . . fSH2 211 . hg* parsed_1aou 1 13 1 2 . . . . . . . . fSH2 211 . hn parsed_1aou 1 14 1 1 . . . . . . . . fSH2 2 . hd1* parsed_1aou 1 14 1 1 . . . . . . . . fSH2 33 . hd1* parsed_1aou 1 14 1 1 . . . . . . . . fSH2 101 . hg1* parsed_1aou 1 14 1 2 . . . . . . . . fSH2 5 . hn parsed_1aou 1 15 1 1 . . . . . . . . fSH2 8 . hb2* parsed_1aou 1 15 1 1 . . . . . . . . fSH2 83 . hb* parsed_1aou 1 15 1 2 . . . . . . . . fSH2 7 . hz2 parsed_1aou 1 16 1 1 . . . . . . . . fSH2 2 . hd1* parsed_1aou 1 16 1 1 . . . . . . . . fSH2 33 . hd1* parsed_1aou 1 16 1 2 . . . . . . . . fSH2 7 . hh2 parsed_1aou 1 17 1 1 . . . . . . . . fSH2 32 . hb* parsed_1aou 1 17 1 1 . . . . . . . . fSH2 32 . hg* parsed_1aou 1 17 1 2 . . . . . . . . fSH2 9 . hn parsed_1aou 1 18 1 1 . . . . . . . . fSH2 10 . ha1 parsed_1aou 1 18 1 1 . . . . . . . . fSH2 44 . hb2 parsed_1aou 1 18 1 2 . . . . . . . . fSH2 12 . hn parsed_1aou 1 19 1 1 . . . . . . . . fSH2 21 . hb* parsed_1aou 1 19 1 1 . . . . . . . . fSH2 22 . hb* parsed_1aou 1 19 1 2 . . . . . . . . fSH2 19 . hn parsed_1aou 1 20 1 1 . . . . . . . . fSH2 21 . hb* parsed_1aou 1 20 1 1 . . . . . . . . fSH2 22 . hb* parsed_1aou 1 20 1 2 . . . . . . . . fSH2 21 . hn parsed_1aou 1 21 1 1 . . . . . . . . fSH2 21 . hb* parsed_1aou 1 21 1 1 . . . . . . . . fSH2 22 . hb* parsed_1aou 1 21 1 2 . . . . . . . . fSH2 22 . hn parsed_1aou 1 22 1 1 . . . . . . . . fSH2 21 . hd* parsed_1aou 1 22 1 1 . . . . . . . . fSH2 22 . hd2* parsed_1aou 1 22 1 2 . . . . . . . . fSH2 22 . hn parsed_1aou 1 23 1 1 . . . . . . . . fSH2 21 . hd* parsed_1aou 1 23 1 1 . . . . . . . . fSH2 22 . hd2* parsed_1aou 1 23 1 2 . . . . . . . . fSH2 23 . hn parsed_1aou 1 24 1 1 . . . . . . . . fSH2 21 . hb* parsed_1aou 1 24 1 1 . . . . . . . . fSH2 22 . hb* parsed_1aou 1 24 1 2 . . . . . . . . fSH2 22 . hn parsed_1aou 1 25 1 1 . . . . . . . . fSH2 27 . hd2 parsed_1aou 1 25 1 1 . . . . . . . . fSH2 30 . hb parsed_1aou 1 25 1 2 . . . . . . . . fSH2 30 . hg1 parsed_1aou 1 26 1 1 . . . . . . . . fSH2 27 . hb* parsed_1aou 1 26 1 1 . . . . . . . . fSH2 27 . hg* parsed_1aou 1 26 1 2 . . . . . . . . fSH2 30 . hg1 parsed_1aou 1 27 1 1 . . . . . . . . fSH2 28 . ha parsed_1aou 1 27 1 1 . . . . . . . . fSH2 30 . hb parsed_1aou 1 27 1 2 . . . . . . . . fSH2 30 . hn parsed_1aou 1 28 1 1 . . . . . . . . fSH2 30 . hg2* parsed_1aou 1 28 1 1 . . . . . . . . fSH2 102 . hg1* parsed_1aou 1 28 1 2 . . . . . . . . fSH2 31 . hn parsed_1aou 1 29 1 1 . . . . . . . . fSH2 47 . hd1* parsed_1aou 1 29 1 1 . . . . . . . . fSH2 47 . hg2* parsed_1aou 1 29 1 2 . . . . . . . . fSH2 31 . ha parsed_1aou 1 30 1 1 . . . . . . . . fSH2 32 . hb* parsed_1aou 1 30 1 1 . . . . . . . . fSH2 32 . hg* parsed_1aou 1 30 1 2 . . . . . . . . fSH2 33 . hn parsed_1aou 1 31 1 1 . . . . . . . . fSH2 37 . ha parsed_1aou 1 31 1 1 . . . . . . . . fSH2 38 . ha parsed_1aou 1 31 1 1 . . . . . . . . fSH2 38 . hb parsed_1aou 1 31 1 2 . . . . . . . . fSH2 36 . hb2 parsed_1aou 1 32 1 1 . . . . . . . . fSH2 37 . ha parsed_1aou 1 32 1 1 . . . . . . . . fSH2 38 . ha parsed_1aou 1 32 1 1 . . . . . . . . fSH2 38 . hb parsed_1aou 1 32 1 2 . . . . . . . . fSH2 36 . hb1 parsed_1aou 1 33 1 1 . . . . . . . . fSH2 40 . ha parsed_1aou 1 33 1 1 . . . . . . . . fSH2 41 . ha1 parsed_1aou 1 33 1 2 . . . . . . . . fSH2 41 . hn parsed_1aou 1 34 1 1 . . . . . . . . fSH2 40 . ha parsed_1aou 1 34 1 1 . . . . . . . . fSH2 41 . ha1 parsed_1aou 1 34 1 2 . . . . . . . . fSH2 42 . hn parsed_1aou 1 35 1 1 . . . . . . . . fSH2 33 . hg2* parsed_1aou 1 35 1 1 . . . . . . . . fSH2 63 . hg12 parsed_1aou 1 35 1 2 . . . . . . . . fSH2 44 . hn parsed_1aou 1 36 1 1 . . . . . . . . fSH2 8 . hd* parsed_1aou 1 36 1 1 . . . . . . . . fSH2 43 . hd* parsed_1aou 1 36 1 2 . . . . . . . . fSH2 44 . hb1 parsed_1aou 1 37 1 1 . . . . . . . . fSH2 45 . hd1* parsed_1aou 1 37 1 1 . . . . . . . . fSH2 63 . hd1* parsed_1aou 1 37 1 2 . . . . . . . . fSH2 45 . hn parsed_1aou 1 38 1 1 . . . . . . . . fSH2 59 . hn parsed_1aou 1 38 1 1 . . . . . . . . fSH2 60 . hn parsed_1aou 1 38 1 2 . . . . . . . . fSH2 47 . hn parsed_1aou 1 39 1 1 . . . . . . . . fSH2 48 . hb* parsed_1aou 1 39 1 1 . . . . . . . . fSH2 49 . hb2 parsed_1aou 1 39 1 2 . . . . . . . . fSH2 48 . hn parsed_1aou 1 40 1 1 . . . . . . . . fSH2 28 . ha parsed_1aou 1 40 1 1 . . . . . . . . fSH2 30 . hb parsed_1aou 1 40 1 2 . . . . . . . . fSH2 48 . hn parsed_1aou 1 41 1 1 . . . . . . . . fSH2 21 . hd* parsed_1aou 1 41 1 1 . . . . . . . . fSH2 22 . hd2* parsed_1aou 1 41 1 2 . . . . . . . . fSH2 49 . hn parsed_1aou 1 42 1 1 . . . . . . . . fSH2 48 . hb* parsed_1aou 1 42 1 1 . . . . . . . . fSH2 49 . hb2 parsed_1aou 1 42 1 2 . . . . . . . . fSH2 49 . hn parsed_1aou 1 43 1 1 . . . . . . . . fSH2 58 . hb* parsed_1aou 1 43 1 1 . . . . . . . . fSH2 59 . hb* parsed_1aou 1 43 1 2 . . . . . . . . fSH2 49 . hn parsed_1aou 1 44 1 1 . . . . . . . . fSH2 51 . ha parsed_1aou 1 44 1 1 . . . . . . . . fSH2 52 . ha parsed_1aou 1 44 1 2 . . . . . . . . fSH2 52 . hn parsed_1aou 1 45 1 1 . . . . . . . . fSH2 51 . hb1 parsed_1aou 1 45 1 1 . . . . . . . . fSH2 52 . hb1 parsed_1aou 1 45 1 2 . . . . . . . . fSH2 51 . hn parsed_1aou 1 46 1 1 . . . . . . . . fSH2 51 . hb2 parsed_1aou 1 46 1 1 . . . . . . . . fSH2 52 . hb2 parsed_1aou 1 46 1 2 . . . . . . . . fSH2 51 . hn parsed_1aou 1 47 1 1 . . . . . . . . fSH2 51 . hb1 parsed_1aou 1 47 1 1 . . . . . . . . fSH2 52 . hb1 parsed_1aou 1 47 1 2 . . . . . . . . fSH2 52 . hn parsed_1aou 1 48 1 1 . . . . . . . . fSH2 51 . hb2 parsed_1aou 1 48 1 1 . . . . . . . . fSH2 52 . hb2 parsed_1aou 1 48 1 2 . . . . . . . . fSH2 52 . hn parsed_1aou 1 49 1 1 . . . . . . . . fSH2 51 . hb1 parsed_1aou 1 49 1 1 . . . . . . . . fSH2 52 . hb1 parsed_1aou 1 49 1 2 . . . . . . . . fSH2 53 . hn parsed_1aou 1 50 1 1 . . . . . . . . fSH2 51 . hb2 parsed_1aou 1 50 1 1 . . . . . . . . fSH2 52 . hb2 parsed_1aou 1 50 1 2 . . . . . . . . fSH2 53 . hn parsed_1aou 1 51 1 1 . . . . . . . . fSH2 51 . ha parsed_1aou 1 51 1 1 . . . . . . . . fSH2 52 . ha parsed_1aou 1 51 1 2 . . . . . . . . fSH2 53 . hn parsed_1aou 1 52 1 1 . . . . . . . . fSH2 51 . ha parsed_1aou 1 52 1 1 . . . . . . . . fSH2 52 . ha parsed_1aou 1 52 1 2 . . . . . . . . fSH2 54 . hn parsed_1aou 1 53 1 1 . . . . . . . . fSH2 51 . hb1 parsed_1aou 1 53 1 1 . . . . . . . . fSH2 52 . hb1 parsed_1aou 1 53 1 2 . . . . . . . . fSH2 55 . hn parsed_1aou 1 54 1 1 . . . . . . . . fSH2 51 . hb2 parsed_1aou 1 54 1 1 . . . . . . . . fSH2 52 . hb2 parsed_1aou 1 54 1 2 . . . . . . . . fSH2 55 . hn parsed_1aou 1 55 1 1 . . . . . . . . fSH2 51 . ha parsed_1aou 1 55 1 1 . . . . . . . . fSH2 52 . ha parsed_1aou 1 55 1 2 . . . . . . . . fSH2 55 . hn parsed_1aou 1 56 1 1 . . . . . . . . fSH2 48 . hb* parsed_1aou 1 56 1 1 . . . . . . . . fSH2 49 . hb2 parsed_1aou 1 56 1 2 . . . . . . . . fSH2 57 . hn parsed_1aou 1 57 1 1 . . . . . . . . fSH2 58 . hb* parsed_1aou 1 57 1 1 . . . . . . . . fSH2 59 . hb* parsed_1aou 1 57 1 2 . . . . . . . . fSH2 57 . hn parsed_1aou 1 58 1 1 . . . . . . . . fSH2 48 . hb* parsed_1aou 1 58 1 1 . . . . . . . . fSH2 49 . hb2 parsed_1aou 1 58 1 2 . . . . . . . . fSH2 58 . hn parsed_1aou 1 59 1 1 . . . . . . . . fSH2 58 . hb* parsed_1aou 1 59 1 1 . . . . . . . . fSH2 59 . hb* parsed_1aou 1 59 1 2 . . . . . . . . fSH2 58 . hn parsed_1aou 1 60 1 1 . . . . . . . . fSH2 48 . hb* parsed_1aou 1 60 1 1 . . . . . . . . fSH2 49 . hb2 parsed_1aou 1 60 1 2 . . . . . . . . fSH2 59 . hn parsed_1aou 1 61 1 1 . . . . . . . . fSH2 58 . hb* parsed_1aou 1 61 1 1 . . . . . . . . fSH2 59 . hb* parsed_1aou 1 61 1 2 . . . . . . . . fSH2 59 . hn parsed_1aou 1 62 1 1 . . . . . . . . fSH2 60 . hd2 parsed_1aou 1 62 1 1 . . . . . . . . fSH2 204 . he* parsed_1aou 1 62 1 2 . . . . . . . . fSH2 60 . hb1 parsed_1aou 1 63 1 1 . . . . . . . . fSH2 60 . hd2 parsed_1aou 1 63 1 1 . . . . . . . . fSH2 204 . he* parsed_1aou 1 63 1 2 . . . . . . . . fSH2 60 . hb2 parsed_1aou 1 64 1 1 . . . . . . . . fSH2 58 . hb* parsed_1aou 1 64 1 1 . . . . . . . . fSH2 59 . hb* parsed_1aou 1 64 1 2 . . . . . . . . fSH2 60 . he1 parsed_1aou 1 65 1 1 . . . . . . . . fSH2 58 . hb* parsed_1aou 1 65 1 1 . . . . . . . . fSH2 59 . hb* parsed_1aou 1 65 1 2 . . . . . . . . fSH2 60 . hn parsed_1aou 1 66 1 1 . . . . . . . . fSH2 45 . hn parsed_1aou 1 66 1 1 . . . . . . . . fSH2 62 . hn parsed_1aou 1 66 1 2 . . . . . . . . fSH2 63 . hn parsed_1aou 1 67 1 1 . . . . . . . . fSH2 69 . ha2 parsed_1aou 1 67 1 1 . . . . . . . . fSH2 70 . ha2 parsed_1aou 1 67 1 2 . . . . . . . . fSH2 69 . hn parsed_1aou 1 68 1 1 . . . . . . . . fSH2 69 . ha2 parsed_1aou 1 68 1 1 . . . . . . . . fSH2 70 . ha2 parsed_1aou 1 68 1 2 . . . . . . . . fSH2 70 . hn parsed_1aou 1 69 1 1 . . . . . . . . fSH2 63 . hg2* parsed_1aou 1 69 1 1 . . . . . . . . fSH2 85 . hd2* parsed_1aou 1 69 1 2 . . . . . . . . fSH2 71 . hn parsed_1aou 1 70 1 1 . . . . . . . . fSH2 69 . ha2 parsed_1aou 1 70 1 1 . . . . . . . . fSH2 70 . ha2 parsed_1aou 1 70 1 2 . . . . . . . . fSH2 71 . hn parsed_1aou 1 71 1 1 . . . . . . . . fSH2 66 . hb* parsed_1aou 1 71 1 1 . . . . . . . . fSH2 66 . hg parsed_1aou 1 71 1 2 . . . . . . . . fSH2 72 . he* parsed_1aou 1 72 1 1 . . . . . . . . fSH2 66 . hb* parsed_1aou 1 72 1 1 . . . . . . . . fSH2 66 . hg parsed_1aou 1 72 1 2 . . . . . . . . fSH2 72 . hd* parsed_1aou 1 73 1 1 . . . . . . . . fSH2 71 . hb1 parsed_1aou 1 73 1 1 . . . . . . . . fSH2 72 . hb1 parsed_1aou 1 73 1 2 . . . . . . . . fSH2 72 . hn parsed_1aou 1 74 1 1 . . . . . . . . fSH2 71 . hb1 parsed_1aou 1 74 1 1 . . . . . . . . fSH2 72 . hb1 parsed_1aou 1 74 1 2 . . . . . . . . fSH2 79 . hn parsed_1aou 1 75 1 1 . . . . . . . . fSH2 86 . hn parsed_1aou 1 75 1 1 . . . . . . . . fSH2 87 . hn parsed_1aou 1 75 1 2 . . . . . . . . fSH2 79 . hb* parsed_1aou 1 76 1 1 . . . . . . . . fSH2 82 . hn parsed_1aou 1 76 1 1 . . . . . . . . fSH2 83 . hn parsed_1aou 1 76 1 2 . . . . . . . . fSH2 81 . hg1 parsed_1aou 1 77 1 1 . . . . . . . . fSH2 8 . he* parsed_1aou 1 77 1 1 . . . . . . . . fSH2 43 . he* parsed_1aou 1 77 1 2 . . . . . . . . fSH2 82 . hd1* parsed_1aou 1 78 1 1 . . . . . . . . fSH2 86 . hn parsed_1aou 1 78 1 1 . . . . . . . . fSH2 87 . hn parsed_1aou 1 78 1 2 . . . . . . . . fSH2 83 . hb* parsed_1aou 1 79 1 1 . . . . . . . . fSH2 86 . hn parsed_1aou 1 79 1 1 . . . . . . . . fSH2 87 . hn parsed_1aou 1 79 1 2 . . . . . . . . fSH2 85 . hn parsed_1aou 1 80 1 1 . . . . . . . . fSH2 86 . hn parsed_1aou 1 80 1 1 . . . . . . . . fSH2 87 . hn parsed_1aou 1 80 1 2 . . . . . . . . fSH2 85 . ha parsed_1aou 1 81 1 1 . . . . . . . . fSH2 86 . hg1* parsed_1aou 1 81 1 1 . . . . . . . . fSH2 100 . hd1* parsed_1aou 1 81 1 2 . . . . . . . . fSH2 86 . hn parsed_1aou 1 81 1 2 . . . . . . . . fSH2 87 . hn parsed_1aou 1 82 1 1 . . . . . . . . fSH2 86 . hn parsed_1aou 1 82 1 1 . . . . . . . . fSH2 87 . hn parsed_1aou 1 82 1 2 . . . . . . . . fSH2 86 . hg1* parsed_1aou 1 83 1 1 . . . . . . . . fSH2 86 . hn parsed_1aou 1 83 1 1 . . . . . . . . fSH2 87 . hn parsed_1aou 1 83 1 2 . . . . . . . . fSH2 86 . hg2* parsed_1aou 1 84 1 1 . . . . . . . . fSH2 86 . hn parsed_1aou 1 84 1 1 . . . . . . . . fSH2 87 . hn parsed_1aou 1 84 1 2 . . . . . . . . fSH2 86 . ha parsed_1aou 1 85 1 1 . . . . . . . . fSH2 86 . hn parsed_1aou 1 85 1 1 . . . . . . . . fSH2 87 . hn parsed_1aou 1 85 1 2 . . . . . . . . fSH2 86 . hb parsed_1aou 1 86 1 1 . . . . . . . . fSH2 89 . hd* parsed_1aou 1 86 1 1 . . . . . . . . fSH2 91 . hn parsed_1aou 1 86 1 2 . . . . . . . . fSH2 86 . hn parsed_1aou 1 87 1 1 . . . . . . . . fSH2 86 . hn parsed_1aou 1 87 1 1 . . . . . . . . fSH2 87 . hn parsed_1aou 1 87 1 2 . . . . . . . . fSH2 87 . hb1 parsed_1aou 1 88 1 1 . . . . . . . . fSH2 86 . hn parsed_1aou 1 88 1 1 . . . . . . . . fSH2 87 . hn parsed_1aou 1 88 1 2 . . . . . . . . fSH2 87 . hb2 parsed_1aou 1 89 1 1 . . . . . . . . fSH2 89 . hd* parsed_1aou 1 89 1 1 . . . . . . . . fSH2 91 . hn parsed_1aou 1 89 1 2 . . . . . . . . fSH2 87 . hn parsed_1aou 1 90 1 1 . . . . . . . . fSH2 86 . hg1* parsed_1aou 1 90 1 1 . . . . . . . . fSH2 100 . hd1* parsed_1aou 1 90 1 2 . . . . . . . . fSH2 88 . hn parsed_1aou 1 91 1 1 . . . . . . . . fSH2 86 . hn parsed_1aou 1 91 1 1 . . . . . . . . fSH2 87 . hn parsed_1aou 1 91 1 2 . . . . . . . . fSH2 88 . hn parsed_1aou 1 92 1 1 . . . . . . . . fSH2 89 . hd* parsed_1aou 1 92 1 1 . . . . . . . . fSH2 91 . hn parsed_1aou 1 92 1 2 . . . . . . . . fSH2 88 . hn parsed_1aou 1 93 1 1 . . . . . . . . fSH2 86 . hn parsed_1aou 1 93 1 1 . . . . . . . . fSH2 87 . hn parsed_1aou 1 93 1 2 . . . . . . . . fSH2 89 . hn parsed_1aou 1 94 1 1 . . . . . . . . fSH2 89 . hd* parsed_1aou 1 94 1 1 . . . . . . . . fSH2 91 . hn parsed_1aou 1 94 1 2 . . . . . . . . fSH2 89 . hn parsed_1aou 1 95 1 1 . . . . . . . . fSH2 89 . hd* parsed_1aou 1 95 1 1 . . . . . . . . fSH2 91 . hn parsed_1aou 1 95 1 2 . . . . . . . . fSH2 90 . hn parsed_1aou 1 96 1 1 . . . . . . . . fSH2 93 . hb* parsed_1aou 1 96 1 1 . . . . . . . . fSH2 94 . hb* parsed_1aou 1 96 1 2 . . . . . . . . fSH2 94 . hn parsed_1aou 1 97 1 1 . . . . . . . . fSH2 93 . hb* parsed_1aou 1 97 1 1 . . . . . . . . fSH2 94 . hb* parsed_1aou 1 97 1 2 . . . . . . . . fSH2 95 . hn parsed_1aou 1 98 1 1 . . . . . . . . fSH2 93 . hb* parsed_1aou 1 98 1 1 . . . . . . . . fSH2 94 . hb* parsed_1aou 1 98 1 2 . . . . . . . . fSH2 96 . hn parsed_1aou 1 99 1 1 . . . . . . . . fSH2 89 . hd* parsed_1aou 1 99 1 1 . . . . . . . . fSH2 91 . hn parsed_1aou 1 99 1 2 . . . . . . . . fSH2 96 . hn parsed_1aou 1 100 1 1 . . . . . . . . fSH2 86 . hg1* parsed_1aou 1 100 1 1 . . . . . . . . fSH2 100 . hd1* parsed_1aou 1 100 1 2 . . . . . . . . fSH2 100 . hd2* parsed_1aou 1 101 1 1 . . . . . . . . fSH2 30 . hg2* parsed_1aou 1 101 1 1 . . . . . . . . fSH2 102 . hg1* parsed_1aou 1 101 1 2 . . . . . . . . fSH2 102 . hn parsed_1aou 1 102 1 1 . . . . . . . . fSH2 31 . hd* parsed_1aou 1 102 1 1 . . . . . . . . fSH2 31 . he* parsed_1aou 1 102 1 2 . . . . . . . . fSH2 102 . hn parsed_1aou 1 103 1 1 . . . . . . . . fSH2 103 . hb* parsed_1aou 1 103 1 1 . . . . . . . . fSH2 103 . hg* parsed_1aou 1 103 1 2 . . . . . . . . fSH2 104 . hn parsed_1aou 1 104 1 1 . . . . . . . . fSH2 2 . hd1* parsed_1aou 1 104 1 1 . . . . . . . . fSH2 33 . hd1* parsed_1aou 1 104 1 1 . . . . . . . . fSH2 101 . hg1* parsed_1aou 1 104 1 2 . . . . . . . . fSH2 105 . hn parsed_1aou 1 105 1 1 . . . . . . . . fSH2 105 . ha parsed_1aou 1 105 1 1 . . . . . . . . fSH2 105 . hb1 parsed_1aou 1 105 1 2 . . . . . . . . fSH2 106 . hn parsed_1aou 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 -1.8 3.5 parsed_1aou 1 2 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 3 1 . . . . . 0.0 -1.8 2.7 parsed_1aou 1 4 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 5 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 6 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 7 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 8 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 9 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 10 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 11 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 12 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 13 1 . . . . . 0.0 -1.8 2.7 parsed_1aou 1 14 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 15 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 16 1 . . . . . 0.0 -1.8 2.7 parsed_1aou 1 17 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 18 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 19 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 20 1 . . . . . 0.0 -1.8 2.7 parsed_1aou 1 21 1 . . . . . 0.0 -1.8 2.7 parsed_1aou 1 22 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 23 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 24 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 25 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 26 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 27 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 28 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 29 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 30 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 31 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 32 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 33 1 . . . . . 0.0 -1.8 2.7 parsed_1aou 1 34 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 35 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 36 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 37 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 38 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 39 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 40 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 41 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 42 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 43 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 44 1 . . . . . 0.0 -1.8 2.7 parsed_1aou 1 45 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 46 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 47 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 48 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 49 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 50 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 51 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 52 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 53 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 54 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 55 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 56 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 57 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 58 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 59 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 60 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 61 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 62 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 63 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 64 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 65 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 66 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 67 1 . . . . . 0.0 -1.8 2.7 parsed_1aou 1 68 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 69 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 70 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 71 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 72 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 73 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 74 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 75 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 76 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 77 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 78 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 79 1 . . . . . 0.0 -1.8 2.7 parsed_1aou 1 80 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 81 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 82 1 . . . . . 0.0 -1.8 2.7 parsed_1aou 1 83 1 . . . . . 0.0 -1.8 2.7 parsed_1aou 1 84 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 85 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 86 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 87 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 88 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 89 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 90 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 91 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 92 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 93 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 94 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 95 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 96 1 . . . . . 0.0 -1.8 2.7 parsed_1aou 1 97 1 . . . . . 0.0 -1.8 2.7 parsed_1aou 1 98 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 1 99 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 100 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 101 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 102 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 103 1 . . . . . 0.0 -1.8 2.7 parsed_1aou 1 104 1 . . . . . 0.0 -1.8 5.0 parsed_1aou 1 105 1 . . . . . 0.0 -1.8 3.5 parsed_1aou 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 ; The ambiguous restraints that are commented out have moved into the ordinary restraint list at some point during the caluclations NH-X intensities at 0.2 lev sh2assstp2.mat STRONG 2.7 (>8 contours) MEDIUM 3.5 (4<= contours <= 8) WEAK 5.0 (<4 contours) Residue E1 (201) Residue P2 (202) Residue Q3 (203) Residue pY4 (204) ; 1 1 15 19 parsed_1aou 1 2 ; assign (( segid "fSH2" and resid*205 and name ha) or ( segid "fSH2" and resid 38 and name hb )) (( segid "fSH2" and resid 204 and name hn) or (segid "fSH2" and resid*205 and name hn )) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 204 and name hn) or ( segid "fSH2" and resid*205 and name hn )) ( segid "fSH2" and resid*61 and name ha) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 205 and name ha) or ( segid "fSH2" and resid*38 and name hb )) ( segid "fSH2" and resid*204 and name hd*) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 205 and name ha) or ( segid "fSH2" and resid 38 and name hb )) ( segid "fSH2" and resid 204 and name he*) 0.0 1.8 5.0 ; 31 1 41 56 parsed_1aou 1 3 ; Residue E5 (205) Residue E6 (206) Residue I7 (207) ; 46 1 50 19 parsed_1aou 1 4 ; assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid *207 and name hd1* )) ( segid "fSH2" and resid 61 and name hd* ) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid 207 and name hd1* )) ( segid "fSH2" and resid 73 and name hg2* ) 0.0 1.8 5.0 ; 54 1 58 57 parsed_1aou 1 5 ; assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid 207 and name hd1* )) ( segid "fSH2" and resid 74 and name hg2* ) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid *207 and name hd1* )) ( segid "fSH2" and resid 96 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid *207 and name hd1* )) ( segid "fSH2" and resid 97 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid 207 and name hd1* )) ( segid "fSH2" and resid 96 and name hd1* ) 0.0 1.8 3.5 X-filtered NOESY shows CH3 207-75HN Xpk; size of contribution unknown therefore restrain methyls to wtithin 5 A and let stronger restraint including HG2 75 sort out relative contributions ; 63 1 77 50 parsed_1aou 1 6 ; Residue P8 (208) Residue I9 (209) ; 89 1 91 20 parsed_1aou 1 7 "Residue Y10 (210)" 95 1 95 20 parsed_1aou 1 8 "Residue L11 (211)" 99 1 99 20 parsed_1aou 1 9 ; Residue S143 (1) Residue I144 (2) Residue Q145 (3) Residue A146 (4) Residue E147 (5) ; 103 1 111 18 parsed_1aou 1 10 ; Residue E148 (6) assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*) or ( segid "fSH2" and resid 101 and name hg1* )) ( segid "fSH2" and resid 6 and name hn ) 0.0 1.8 5.0 Residue W149 (7) assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 96 and name hd1* )) ( segid "fSH2" and resid 7 and name he1) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 86 and name hg2*) or ( segid "fSH2" and resid 96 and name hd2* )) ( segid "fSH2" and resid 7 and name he1) 0.0 1.8 5.0 ; 116 1 126 54 parsed_1aou 1 11 ; assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 7 and name hd1 ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 7 and name he1 ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 7 and name hz2 ) 0.0 1.8 5.0 ; 131 1 138 55 parsed_1aou 1 12 ; Residue Y150 (8) assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*) or ( segid "fSH2" and resid 101 and name hg1* )) ( segid "fSH2" and resid 8 and name hd* ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*) or ( segid "fSH2" and resid 101 and name hg1* )) ( segid "fSH2" and resid 8 and name he* ) 0.0 1.8 3.5 Residue F151 (9) ; 143 1 152 18 parsed_1aou 1 13 ; Residue G152 (10) Residue K153 (11) Residue L154 (12) assign (( segid "fSH2" and resid 10 and name ha2) or ( segid "fSH2" and resid 44 and name hb2)) ( segid "fSH2" and resid 12 and name hn ) 0.0 1.8 5.0 ; 156 1 162 55 parsed_1aou 1 14 ; Residue G155 (13) Residue R156 (14) assign (( segid "fSH2" and resid 18 and name hg2*) or ( segid "fSH2" and resid 37 and name hb* )) ( segid "fSH2" and resid 14 and name hn) 0.0 1.8 5.0 Residue K157 (15) Residue D158 (16) Residue A159 (17) Residue E160 (18) Residue R161 (19) ; 166 1 180 19 parsed_1aou 1 15 ; 3.5 olp Residue Q162 (20) Residue L163 (21) ; 182 55 186 19 parsed_1aou 1 16 "Residue L164 (22)" 190 1 190 19 parsed_1aou 1 17 "Residue S165 (23)" 197 1 197 19 parsed_1aou 1 18 ; assign (( segid "fSH2" and resid 26 and name hb* ) or (segid "fSH2" and resid 48 and name hd* )) ( segid "fSH2" and resid 22 and name hn ) 0.0 1.8 5.0 Residue F166 (24) Residue G167 (25) Residue N168 (26) assign (( segid "fSH2" and resid 26 and name hb* ) or (segid "fSH2" and resid 48 and name hd* )) ( segid "fSH2" and resid 26 and name hn ) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 21 and name ha ) or (segid "fSH2" and resid 23 and name hb* )) ( segid "fSH2" and resid 26 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 30 and name hg2* ) or ( segid "fSH2" and resid 102 and name hg1* )) ( segid "fSH2" and resid 26 and name hn ) 0.0 1.8 5.0 Residue P169 (27) Residue R170 (28) assign (( segid "fSH2" and resid 45 and name hb* ) or (segid "fSH2" and resid 48 and name hb* )) ( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 48 and name hb* ) or ( segid "fSH2" and resid 49 and name hb2 )) ( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 28 and name ha ) or (segid "fSH2" and resid 30 and name hb )) ( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 27 and name ha ) or (segid "fSH2" and resid 29 and name ha1 )) ( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 3.5 Residue G171 (29) assign (( segid "fSH2" and resid 28 and name ha ) or (segid "fSH2" and resid 30 and name hb )) ( segid "fSH2" and resid 29 and name hn ) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 48 and name hb* ) or ( segid "fSH2" and resid 49 and name hb2 )) ( segid "fSH2" and resid 48 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 27 and name ha ) or (segid "fSH2" and resid 29 and name ha1 )) ( segid "fSH2" and resid 29 and name hn ) 0.0 1.8 3.5 Residue T172 (30) assign (( segid "fSH2" and resid 28 and name hb* ) or (segid "fSH2" and resid 102 and name hb* )) ( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 30 and name hg2* ) or ( segid "fSH2" and resid 102 and name hg1* )) ( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 27 and name hd1 ) or ( segid "fSH2" and resid 104 and name hb1 )) ( segid "fSH2" and resid 30 and name hg1 ) 0.0 1.8 5.0 ; 204 1 257 56 parsed_1aou 1 19 ; assign (( segid "fSH2" and resid 27 and name hd2 ) or ( segid "fSH2" and resid 30 and name hb )) ( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0 ; 262 1 263 55 parsed_1aou 1 20 ; assign (( segid "fSH2" and resid 48 and name hb* ) or ( segid "fSH2" and resid 49 and name hb2 )) ( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 26 and name hb* ) or (segid "fSH2" and resid 48 and name hd* )) ( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0 ; 268 1 272 55 parsed_1aou 1 21 ; assign (( segid "fSH2" and resid 27 and name ha ) or (segid "fSH2" and resid 29 and name ha1 )) ( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*) or ( segid "fSH2" and resid 101 and name hg1* )) ( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0 Residue F173 (31) assign (( segid "fSH2" and resid 21 and name hd* ) or ( segid "fSH2" and resid 22 and name hd2* )) ( segid "fSH2" and resid 31 and name ha ) 0.0 1.8 5.0 ; 277 1 286 55 parsed_1aou 1 22 ; assign (( segid "fSH2" and resid 27 and name hd2 ) or ( segid "fSH2" and resid 30 and name hb )) ( segid "fSH2" and resid 31 and name hn ) 0.0 1.8 5.0 Residue L174 (32) assign (( segid "fSH2" and resid 17 and name ha ) or ( segid "fSH2" and resid 104 and name hb2 )) ( segid "fSH2" and resid 32 and name hd2* ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 32 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 9 and name hd*)or ( segid "fSH2" and resid 31 and name hd* )) ( segid "fSH2" and resid 32 and name hn ) 0.0 1.8 5.0 Residue I175 (33) ; 294 1 307 19 parsed_1aou 1 23 ; assign (( segid "fSH2" and resid 2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*)) ( segid "fSH2" and resid 33 and name hn ) 0.0 1.8 5.0 Residue R176 (34) assign (( segid "fSH2" and resid 63 and name hg12 ) or ( segid "fSH2" and resid 33 and name hg2* )) ( segid "fSH2" and resid 34 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 7 and name hb2 ) or ( segid "fSH2" and resid 43 and name hb2 )) ( segid "fSH2" and resid 34 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*)) ( segid "fSH2" and resid 34 and name hn ) 0.0 1.8 5.0 Residue E177 (35) assign (( segid "fSH2" and resid 8 and name hd* ) or ( segid "fSH2" and resid 43 and name hd* )) ( segid "fSH2" and resid 35 and name hn ) 0.0 1.8 5.0 Residue S178 (36) assign (( segid "fSH2" and resid 37 and name ha ) or ( segid "fSH2" and resid 38 and name ha) or ( segid "fSH2" and resid 38 and name hb )) ( segid "fSH2" and resid 36 and name hb1 ) 0.0 1.8 5.0 ; 311 1 331 56 parsed_1aou 1 24 ; assign (( segid "fSH2" and resid 37 and name ha ) or ( segid "fSH2" and resid 38 and name ha ) or ( segid "fSH2" and resid 38 and name hb )) ( segid "fSH2" and resid 36 and name hb2 ) 0.0 1.8 5.0 ; 338 1 340 56 parsed_1aou 1 25 ; Residue E179 (37) Residue T180 (38) Residue T181 (39) Residue K182 (40) Residue G183 (41) ; 347 1 355 19 parsed_1aou 1 26 "Residue A184 (42)" 359 1 359 19 parsed_1aou 1 27 ; Residue Y185 (43) assign (( segid "fSH2" and resid 41 and name ha1 ) or ( segid "fSH2" and resid 35 and name ha )) ( segid "fSH2" and resid 43 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 36 and name hb1 ) or ( segid "fSH2" and resid 44 and name hb1 )) ( segid "fSH2" and resid 43 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 45 and name hd1* ) or ( segid "fSH2" and resid 63 and name hd1* )) ( segid "fSH2" and resid 43 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*)) ( segid "fSH2" and resid 43 and name hd* ) 0.0 1.8 5.0 Residue S186 (44) assign (( segid "fSH2" and resid 45 and name hd1* ) or ( segid "fSH2" and resid 63 and name hd1* )) ( segid "fSH2" and resid 44 and name hn ) 0.0 1.8 5.0 ; 363 1 378 55 parsed_1aou 1 28 ; Residue L187 (45) assign (( segid "fSH2" and resid 63 and name hg12 ) or ( segid "fSH2" and resid 33 and name hg2* )) ( segid "fSH2" and resid 45 and name hn ) 0.0 1.8 5.0 ; 386 1 388 55 parsed_1aou 1 29 ; assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 45 and name hd2*) 0.0 1.8 5.0 Residue S188 (46) assign (( segid "fSH2" and resid 45 and name hd1*)or ( segid "fSH2" and resid 63 and name hd1*)) ( segid "fSH2" and resid 46 and name hn ) 0.0 1.8 3.5 Residue I189 (47) assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 47 and name hn ) 0.0 1.8 5.0 ; 393 1 402 55 parsed_1aou 1 30 ; Residue R190 (48) assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 48 and name ha ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 27 and name hd2 ) or ( segid "fSH2" and resid 30 and name hb )) ( segid "fSH2" and resid 48 and name hn ) 0.0 1.8 5.0 ; 407 1 412 55 parsed_1aou 1 31 ; assign (( segid "fSH2" and resid 26 and name hb* ) or (segid "fSH2" and resid 48 and name hd* )) ( segid "fSH2" and resid 48 and name hn ) 0.0 1.8 5.0 ; 417 1 418 55 parsed_1aou 1 32 "Residue D191 (49)" 423 1 423 19 parsed_1aou 1 33 ; assign (( segid "fSH2" and resid 26 and name hb* ) or (segid "fSH2" and resid 48 and name hd* )) ( segid "fSH2" and resid 49 and name hn ) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 28 and name ha ) or (segid "fSH2" and resid 30 and name hb )) ( segid "fSH2" and resid 49 and name hn ) 0.0 1.8 5.0 ; 430 1 434 55 parsed_1aou 1 34 ; Residue W192 (50) Residue D193 (51) ; 440 1 442 19 parsed_1aou 1 35 "Residue D194 (52)" 452 1 452 19 parsed_1aou 1 36 "Residue M195 (53)" 459 1 459 19 parsed_1aou 1 37 "Residue K196 (54)" 470 1 470 19 parsed_1aou 1 38 "Residue G197 (55)" 474 1 474 19 parsed_1aou 1 39 ; Residue D198 (56) assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 56 and name hb1 ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 56 and name hb2 ) 0.0 1.8 5.0 Residue H199 (57) assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 57 and name hn ) 0.0 1.8 5.0 ; 484 1 493 55 parsed_1aou 1 40 ; Residue V200 (58) assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 58 and name hn ) 0.0 1.8 5.0 ; 501 1 503 55 parsed_1aou 1 41 ; m.c. Residue K201 (59) assign (( segid "fSH2" and resid 46 and name hn ) or ( segid "fSH2" and resid 47 and name hn )) ( segid "fSH2" and resid 59 and name hn ) 0.0 1.8 5.0 ; 509 55 513 56 parsed_1aou 1 42 ; assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*)) ( segid "fSH2" and resid 59 and name hn ) 0.0 1.8 5.0 ; 518 1 519 55 parsed_1aou 1 43 ; m.c. Residue H202 (60) ; 522 55 524 19 parsed_1aou 1 44 ; Residue Y203 (61) Residue K204 (62) Residue I205 (63) ; 537 1 541 19 parsed_1aou 1 45 ; Residue R206 (64) assign (( segid "fSH2" and resid 44 and name ha ) or ( segid "fSH2" and resid 71 and name ha )) ( segid "fSH2" and resid 64 and name hn ) 0.0 1.8 5.0 Residue K207 (65) Residue L208 (66) assign (( segid "fSH2" and resid 69 and name ha2 ) or ( segid "fSH2" and resid 70 and name ha2 )) ( segid "fSH2" and resid 66 and name hn ) 0.0 1.8 5.0 Residue D209 (67) Residue N210 (68) assign (( segid "fSH2" and resid 69 and name ha2 ) or ( segid "fSH2" and resid 70 and name ha2 )) ( segid "fSH2" and resid 68 and name hn ) 0.0 1.8 5.0 Residue G211 (69) ; 545 1 561 19 parsed_1aou 1 46 "Residue G212 (70)" 565 1 565 19 parsed_1aou 1 47 ; Residue Y213 (71) assign (( segid "fSH2" and resid 63 and name hg2*) or ( segid "fSH2" and resid 85 and name hd1*)) ( segid "fSH2" and resid 71 and name hn ) 0.0 1.8 5.0 ; 569 1 571 56 parsed_1aou 1 48 ; 2.7 unable to be satisfied Residue Y214 (72) assign (( segid "fSH2" and resid 63 and name hg2*) or ( segid "fSH2" and resid 85 and name hd1*)) ( segid "fSH2" and resid 72 and name hn ) 0.0 1.8 5.0 ; 578 56 582 56 parsed_1aou 1 49 ; assign (( segid "fSH2" and resid 71 and name hb1) or ( segid "fSH2" and resid 72 and name hb2)) ( segid "fSH2" and resid 72 and name hn ) 0.0 1.8 3.5 ; 590 1 591 56 parsed_1aou 1 50 ; Residue I215 (73) assign (( segid "fSH2" and resid 63 and name hg2*) or ( segid "fSH2" and resid 85 and name hd1*)) ( segid "fSH2" and resid 73 and name hn ) 0.0 1.8 5.0 Residue T216 (74) Residue T217 (75) Residue R218 (76) Residue A219 (77) Residue Q220 (78) Residue F221 (79) assign (( segid "fSH2" and resid 71 and name hb1) or ( segid "fSH2" and resid 72 and name hb2)) ( segid "fSH2" and resid 79 and name hn ) 0.0 1.8 5.0 ; 598 1 614 56 parsed_1aou 1 51 ; assign (( segid "fSH2" and resid 69 and name ha2 ) or ( segid "fSH2" and resid 70 and name ha2 )) ( segid "fSH2" and resid 79 and name hn ) 0.0 1.8 5.0 Residue E222 (80) Residue T223 (81) ; 623 1 628 19 parsed_1aou 1 52 ; Residue L224 (82) assign (( segid "fSH2" and resid 2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*)) ( segid "fSH2" and resid 82 and name hb* ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*)) ( segid "fSH2" and resid 82 and name hd2*) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 8 and name he* ) or ( segid "fSH2" and resid 43 and name he* )) ( segid "fSH2" and resid 82 and name hd2*) 0.0 1.8 5.0 ; 632 1 639 56 parsed_1aou 1 53 ; Residue Q225 (83) assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 83 and name ha ) 0.0 1.8 5.0 ; 643 1 645 55 parsed_1aou 1 54 ; Residue Q226 (84) assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 84 and name hn ) 0.0 1.8 5.0 Residue L227 (85) ; 650 1 654 19 parsed_1aou 1 55 ; assign (( segid "fSH2" and resid 86 and name hn ) or ( segid "fSH2" and resid 87 and name hn )) ( segid "fSH2" and resid 85 and name hd1*) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 86 and name hn ) or ( segid "fSH2" and resid 87 and name hn )) ( segid "fSH2" and resid 85 and name hd2*) 0.0 1.8 3.5 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 85 and name hn ) 0.0 1.8 5.0 Residue V228 (86) ; 661 1 670 19 parsed_1aou 1 56 "Residue Q229 (87)" 689 1 689 19 parsed_1aou 1 57 "Residue H230 (88)" 700 1 700 19 parsed_1aou 1 58 ; Residue Y231 (89) assign (( segid "fSH2" and resid 86 and name hd1* ) or ( segid "fSH2" and resid 100 and name hd1* )) ( segid "fSH2" and resid 89 and name hb1 ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 96 and name hd2* ) or ( segid "fSH2" and resid 86 and name hg2* )) ( segid "fSH2" and resid 89 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 89 and name hn ) 0.0 1.8 5.0 ; 710 1 718 55 parsed_1aou 1 59 ; Residue S232 (90) assign (( segid "fSH2" and resid 96 and name hd2* ) or ( segid "fSH2" and resid 86 and name hg2* )) ( segid "fSH2" and resid 90 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 90 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 90 and name hb1 ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 90 and name hb2 ) 0.0 1.8 5.0 ; 726 1 737 56 parsed_1aou 1 60 ; Residue E233 (91) assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 91 and name hn ) 0.0 1.8 5.0 Residue R234 (92) assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 92 and name hn ) 0.0 1.8 5.0 Residue A235 (93) assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb* )) ( segid "fSH2" and resid 93 and name hn ) 0.0 1.8 2.7 Residue A236 (94) ; 743 1 755 19 parsed_1aou 1 61 "Residue G237 (95)" 759 1 759 19 parsed_1aou 1 62 ; assign (( segid "fSH2" and resid 207 and name hg1* ) or ( segid "fSH2" and resid 209 and name hg1* )) ( segid "fSH2" and resid 95 and name ha1 ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 207 and name hg1* ) or ( segid "fSH2" and resid 209 and name hg1* )) ( segid "fSH2" and resid 95 and name ha2 ) 0.0 1.8 5.0 Residue L238 (96) ; 763 1 769 19 parsed_1aou 1 63 ; Residue S239 (97) assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb* )) ( segid "fSH2" and resid 97 and name hn ) 0.0 1.8 5.0 Residue S240 (98) assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb* )) ( segid "fSH2" and resid 98 and name hn ) 0.0 1.8 5.0 Residue R241 (99) assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb* )) ( segid "fSH2" and resid 99 and name hn ) 0.0 1.8 3.5 Residue L242 (100) assign (( segid "fSH2" and resid 45 and name hd1*) or ( segid "fSH2" and resid 47 and name hd1*)) ( segid "fSH2" and resid 100 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 100 and name hn ) 0.0 1.8 5.0 assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*)) ( segid "fSH2" and resid 100 and name ha ) 0.0 1.8 5.0 ; 776 1 796 56 parsed_1aou 1 64 ; assign (( segid "fSH2" and resid 86 and name hn ) or ( segid "fSH2" and resid 87 and name hn )) ( segid "fSH2" and resid 100 and name hd2*) 0.0 1.8 5.0 Residue V243 (101) Residue V244 (102) ; 801 1 806 20 parsed_1aou 1 65 ; assign (( segid "fSH2" and resid 9 and name hd*)or ( segid "fSH2" and resid 31 and name hd* )) ( segid "fSH2" and resid 102 and name hn ) 0.0 1.8 5.0 ; 810 1 811 56 parsed_1aou 1 66 ; Residue 245 (103) Residue 246 (104) assign (( segid "fSH2" and resid 27 and name hd1 ) or ( segid "fSH2" and resid 104 and name hb1 )) ( segid "fSH2" and resid 104 and name hn ) 0.0 1.8 5.0 ; 816 1 820 56 parsed_1aou 1 67 "Residue 247 (105)" 825 1 825 19 parsed_1aou 1 68 "Residue 248 (106)" 830 1 830 19 parsed_1aou 1 stop_ save_
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