NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
33560 | 1ih9 | 4993 | cing | 2-parsed | STAR | entry | full | 232 |
data_1ih9_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1ih9 _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_1ih9 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1ih9 _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 1ih9 "Master copy" parsed_1ih9 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1ih9 _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 1ih9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ih9 1 1 1ih9.mr . . DYANA/DIANA 2 distance NOE simple 132 parsed_1ih9 1 1 1ih9.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 60 parsed_1ih9 1 1 1ih9.mr . . DYANA/DIANA 4 distance NOE simple 29 parsed_1ih9 1 1 1ih9.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 11 parsed_1ih9 1 1 1ih9.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ih9 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_1ih9 _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 ANTIBIOTIC 19-APR-01 1IH9 *TITLE NMR STRUCTURE OF ZERVAMICIN IIB (PEPTAIBOL ANTIBIOTIC) *TITLE 2 BOUND TO DPC MICELLES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ZERVAMICIN IIB; *COMPND 3 CHAIN: A *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: EMERICELLOPSIS SALMOSYNNEMATA; *SOURCE 3 STRAIN: 336 IMI 58330 *KEYWDS BENT HELIX *EXPDTA NMR, 20 STRUCTURES *AUTHOR Z.O.SHENKAREV, T.A.BALASHEVA, R.G.EFREMOV, Z.A.YAKIMENKO, *AUTHOR 2 T.V.OVCHINNIKOVA, J.RAAP, A.S.ARSENIEV *REVDAT 1 13-FEB-02 1IH9 0 #Contencated restraints files for Zrv-IIB in DPC in Dyana format ; save_ save_DYANA/DIANA_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1ih9 _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_1ih9 1 2 1 . . . parsed_1ih9 1 3 1 . . . parsed_1ih9 1 4 1 . . . parsed_1ih9 1 5 1 . . . parsed_1ih9 1 6 1 . . . parsed_1ih9 1 7 1 . . . parsed_1ih9 1 8 1 . . . parsed_1ih9 1 9 1 . . . parsed_1ih9 1 10 1 . . . parsed_1ih9 1 11 1 . . . parsed_1ih9 1 12 1 . . . parsed_1ih9 1 13 1 . . . parsed_1ih9 1 14 1 . . . parsed_1ih9 1 15 1 . . . parsed_1ih9 1 16 1 . . . parsed_1ih9 1 17 1 . . . parsed_1ih9 1 18 1 . . . parsed_1ih9 1 19 1 . . . parsed_1ih9 1 20 1 . . . parsed_1ih9 1 21 1 . . . parsed_1ih9 1 22 1 . . . parsed_1ih9 1 23 1 . . . parsed_1ih9 1 24 1 . . . parsed_1ih9 1 25 1 . . . parsed_1ih9 1 26 1 . . . parsed_1ih9 1 27 1 . . . parsed_1ih9 1 28 1 . . . parsed_1ih9 1 29 1 . . . parsed_1ih9 1 30 1 . . . parsed_1ih9 1 31 1 . . . parsed_1ih9 1 32 1 . . . parsed_1ih9 1 33 1 . . . parsed_1ih9 1 34 1 . . . parsed_1ih9 1 35 1 . . . parsed_1ih9 1 36 1 . . . parsed_1ih9 1 37 1 . . . parsed_1ih9 1 38 1 . . . parsed_1ih9 1 39 1 . . . parsed_1ih9 1 40 1 . . . parsed_1ih9 1 41 1 . . . parsed_1ih9 1 42 1 . . . parsed_1ih9 1 43 1 . . . parsed_1ih9 1 44 1 . . . parsed_1ih9 1 45 1 . . . parsed_1ih9 1 46 1 . . . parsed_1ih9 1 47 1 . . . parsed_1ih9 1 48 1 . . . parsed_1ih9 1 49 1 . . . parsed_1ih9 1 50 1 . . . parsed_1ih9 1 51 1 . . . parsed_1ih9 1 52 1 . . . parsed_1ih9 1 53 1 . . . parsed_1ih9 1 54 1 . . . parsed_1ih9 1 55 1 . . . parsed_1ih9 1 56 1 . . . parsed_1ih9 1 57 1 . . . parsed_1ih9 1 58 1 . . . parsed_1ih9 1 59 1 . . . parsed_1ih9 1 60 1 . . . parsed_1ih9 1 61 1 . . . parsed_1ih9 1 62 1 . . . parsed_1ih9 1 63 1 . . . parsed_1ih9 1 64 1 . . . parsed_1ih9 1 65 1 . . . parsed_1ih9 1 66 1 . . . parsed_1ih9 1 67 1 . . . parsed_1ih9 1 68 1 . . . parsed_1ih9 1 69 1 . . . parsed_1ih9 1 70 1 . . . parsed_1ih9 1 71 1 . . . parsed_1ih9 1 72 1 . . . parsed_1ih9 1 73 1 . . . parsed_1ih9 1 74 1 . . . parsed_1ih9 1 75 1 . . . parsed_1ih9 1 76 1 . . . parsed_1ih9 1 77 1 . . . parsed_1ih9 1 78 1 . . . parsed_1ih9 1 79 1 . . . parsed_1ih9 1 80 1 . . . parsed_1ih9 1 81 1 . . . parsed_1ih9 1 82 1 . . . parsed_1ih9 1 83 1 . . . parsed_1ih9 1 84 1 . . . parsed_1ih9 1 85 1 . . . parsed_1ih9 1 86 1 . . . parsed_1ih9 1 87 1 . . . parsed_1ih9 1 88 1 . . . parsed_1ih9 1 89 1 . . . parsed_1ih9 1 90 1 . . . parsed_1ih9 1 91 1 . . . parsed_1ih9 1 92 1 . . . parsed_1ih9 1 93 1 . . . parsed_1ih9 1 94 1 . . . parsed_1ih9 1 95 1 . . . parsed_1ih9 1 96 1 . . . parsed_1ih9 1 97 1 . . . parsed_1ih9 1 98 1 . . . parsed_1ih9 1 99 1 . . . parsed_1ih9 1 100 1 . . . parsed_1ih9 1 101 1 . . . parsed_1ih9 1 102 1 . . . parsed_1ih9 1 103 1 . . . parsed_1ih9 1 104 1 . . . parsed_1ih9 1 105 1 . . . parsed_1ih9 1 106 1 . . . parsed_1ih9 1 107 1 . . . parsed_1ih9 1 108 1 . . . parsed_1ih9 1 109 1 . . . parsed_1ih9 1 110 1 . . . parsed_1ih9 1 111 1 . . . parsed_1ih9 1 112 1 . . . parsed_1ih9 1 113 1 . . . parsed_1ih9 1 114 1 . . . parsed_1ih9 1 115 1 . . . parsed_1ih9 1 116 1 . . . parsed_1ih9 1 117 1 . . . parsed_1ih9 1 118 1 . . . parsed_1ih9 1 119 1 . . . parsed_1ih9 1 120 1 . . . parsed_1ih9 1 121 1 . . . parsed_1ih9 1 122 1 . . . parsed_1ih9 1 123 1 . . . parsed_1ih9 1 124 1 . . . parsed_1ih9 1 125 1 . . . parsed_1ih9 1 126 1 . . . parsed_1ih9 1 127 1 . . . parsed_1ih9 1 128 1 . . . parsed_1ih9 1 129 1 . . . parsed_1ih9 1 130 1 . . . parsed_1ih9 1 131 1 . . . parsed_1ih9 1 132 1 . . . parsed_1ih9 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 GLY QA parsed_1ih9 1 1 1 2 . . . . . . . . . 2 TRP HA parsed_1ih9 1 2 1 1 . . . . . . . . . 1 GLY QA parsed_1ih9 1 2 1 2 . . . . . . . . . 3 ILE HN parsed_1ih9 1 3 1 1 . . . . . . . . . 1 GLY QA parsed_1ih9 1 3 1 2 . . . . . . . . . 4 GLN HN parsed_1ih9 1 4 1 1 . . . . . . . . . 1 GLY QA parsed_1ih9 1 4 1 2 . . . . . . . . . 5 IVA HN parsed_1ih9 1 5 1 1 . . . . . . . . . 1 GLY QA parsed_1ih9 1 5 1 2 . . . . . . . . . 5 IVA QB2 parsed_1ih9 1 6 1 1 . . . . . . . . . 1 GLY QA parsed_1ih9 1 6 1 2 . . . . . . . . . 5 IVA QG parsed_1ih9 1 7 1 1 . . . . . . . . . 2 TRP HN parsed_1ih9 1 7 1 2 . . . . . . . . . 2 TRP CB parsed_1ih9 1 8 1 1 . . . . . . . . . 2 TRP HN parsed_1ih9 1 8 1 2 . . . . . . . . . 3 ILE HN parsed_1ih9 1 9 1 1 . . . . . . . . . 2 TRP HA parsed_1ih9 1 9 1 2 . . . . . . . . . 5 IVA HN parsed_1ih9 1 10 1 1 . . . . . . . . . 2 TRP HA parsed_1ih9 1 10 1 2 . . . . . . . . . 5 IVA QB2 parsed_1ih9 1 11 1 1 . . . . . . . . . 2 TRP HB2 parsed_1ih9 1 11 1 2 . . . . . . . . . 3 ILE HN parsed_1ih9 1 12 1 1 . . . . . . . . . 2 TRP HB3 parsed_1ih9 1 12 1 2 . . . . . . . . . 3 ILE HN parsed_1ih9 1 13 1 1 . . . . . . . . . 2 TRP CB parsed_1ih9 1 13 1 2 . . . . . . . . . 3 ILE HN parsed_1ih9 1 14 1 1 . . . . . . . . . 3 ILE HN parsed_1ih9 1 14 1 2 . . . . . . . . . 4 GLN HN parsed_1ih9 1 15 1 1 . . . . . . . . . 3 ILE HA parsed_1ih9 1 15 1 2 . . . . . . . . . 5 IVA HN parsed_1ih9 1 16 1 1 . . . . . . . . . 3 ILE HA parsed_1ih9 1 16 1 2 . . . . . . . . . 6 ILE HN parsed_1ih9 1 17 1 1 . . . . . . . . . 3 ILE HA parsed_1ih9 1 17 1 2 . . . . . . . . . 6 ILE HB parsed_1ih9 1 18 1 1 . . . . . . . . . 4 GLN HN parsed_1ih9 1 18 1 2 . . . . . . . . . 4 GLN CB parsed_1ih9 1 19 1 1 . . . . . . . . . 4 GLN HN parsed_1ih9 1 19 1 2 . . . . . . . . . 5 IVA HN parsed_1ih9 1 20 1 1 . . . . . . . . . 4 GLN HN parsed_1ih9 1 20 1 2 . . . . . . . . . 5 IVA QB2 parsed_1ih9 1 21 1 1 . . . . . . . . . 4 GLN HA parsed_1ih9 1 21 1 2 . . . . . . . . . 7 THR HN parsed_1ih9 1 22 1 1 . . . . . . . . . 4 GLN HA parsed_1ih9 1 22 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 1 23 1 1 . . . . . . . . . 4 GLN CB parsed_1ih9 1 23 1 2 . . . . . . . . . 5 IVA HN parsed_1ih9 1 24 1 1 . . . . . . . . . 4 GLN CB parsed_1ih9 1 24 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 1 25 1 1 . . . . . . . . . 4 GLN CB parsed_1ih9 1 25 1 2 . . . . . . . . . 5 IVA QG parsed_1ih9 1 26 1 1 . . . . . . . . . 5 IVA HN parsed_1ih9 1 26 1 2 . . . . . . . . . 5 IVA HB12 parsed_1ih9 1 27 1 1 . . . . . . . . . 5 IVA HN parsed_1ih9 1 27 1 2 . . . . . . . . . 5 IVA QG parsed_1ih9 1 28 1 1 . . . . . . . . . 5 IVA HN parsed_1ih9 1 28 1 2 . . . . . . . . . 6 ILE HN parsed_1ih9 1 29 1 1 . . . . . . . . . 5 IVA QB2 parsed_1ih9 1 29 1 2 . . . . . . . . . 6 ILE HN parsed_1ih9 1 30 1 1 . . . . . . . . . 5 IVA HB12 parsed_1ih9 1 30 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 1 31 1 1 . . . . . . . . . 5 IVA HB12 parsed_1ih9 1 31 1 2 . . . . . . . . . 8 AIB QB1 parsed_1ih9 1 32 1 1 . . . . . . . . . 5 IVA HB13 parsed_1ih9 1 32 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 1 33 1 1 . . . . . . . . . 5 IVA QG parsed_1ih9 1 33 1 2 . . . . . . . . . 6 ILE HN parsed_1ih9 1 34 1 1 . . . . . . . . . 5 IVA QG parsed_1ih9 1 34 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 1 35 1 1 . . . . . . . . . 6 ILE HN parsed_1ih9 1 35 1 2 . . . . . . . . . 7 THR HN parsed_1ih9 1 36 1 1 . . . . . . . . . 6 ILE HA parsed_1ih9 1 36 1 2 . . . . . . . . . 9 LEU HN parsed_1ih9 1 37 1 1 . . . . . . . . . 6 ILE HA parsed_1ih9 1 37 1 2 . . . . . . . . . 9 LEU QD1 parsed_1ih9 1 38 1 1 . . . . . . . . . 7 THR HN parsed_1ih9 1 38 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 1 39 1 1 . . . . . . . . . 7 THR HA parsed_1ih9 1 39 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 1 40 1 1 . . . . . . . . . 7 THR HA parsed_1ih9 1 40 1 2 . . . . . . . . . 9 LEU HN parsed_1ih9 1 41 1 1 . . . . . . . . . 7 THR HA parsed_1ih9 1 41 1 2 . . . . . . . . . 10 AIB QB1 parsed_1ih9 1 42 1 1 . . . . . . . . . 7 THR HB parsed_1ih9 1 42 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 1 43 1 1 . . . . . . . . . 8 AIB HN parsed_1ih9 1 43 1 2 . . . . . . . . . 9 LEU HN parsed_1ih9 1 44 1 1 . . . . . . . . . 8 AIB QB1 parsed_1ih9 1 44 1 2 . . . . . . . . . 9 LEU HN parsed_1ih9 1 45 1 1 . . . . . . . . . 8 AIB QB1 parsed_1ih9 1 45 1 2 . . . . . . . . . 9 LEU HA parsed_1ih9 1 46 1 1 . . . . . . . . . 8 AIB QB1 parsed_1ih9 1 46 1 2 . . . . . . . . . 9 LEU QD1 parsed_1ih9 1 47 1 1 . . . . . . . . . 8 AIB QB1 parsed_1ih9 1 47 1 2 . . . . . . . . . 9 LEU QD2 parsed_1ih9 1 48 1 1 . . . . . . . . . 8 AIB QB2 parsed_1ih9 1 48 1 2 . . . . . . . . . 11 HYP HD22 parsed_1ih9 1 49 1 1 . . . . . . . . . 8 AIB QB2 parsed_1ih9 1 49 1 2 . . . . . . . . . 11 HYP HD23 parsed_1ih9 1 50 1 1 . . . . . . . . . 9 LEU HN parsed_1ih9 1 50 1 2 . . . . . . . . . 9 LEU HG parsed_1ih9 1 51 1 1 . . . . . . . . . 9 LEU HN parsed_1ih9 1 51 1 2 . . . . . . . . . 9 LEU QD1 parsed_1ih9 1 52 1 1 . . . . . . . . . 9 LEU HN parsed_1ih9 1 52 1 2 . . . . . . . . . 9 LEU QD2 parsed_1ih9 1 53 1 1 . . . . . . . . . 9 LEU HN parsed_1ih9 1 53 1 2 . . . . . . . . . 10 AIB HN parsed_1ih9 1 54 1 1 . . . . . . . . . 9 LEU HA parsed_1ih9 1 54 1 2 . . . . . . . . . 9 LEU HG parsed_1ih9 1 55 1 1 . . . . . . . . . 9 LEU HA parsed_1ih9 1 55 1 2 . . . . . . . . . 9 LEU QD1 parsed_1ih9 1 56 1 1 . . . . . . . . . 9 LEU HA parsed_1ih9 1 56 1 2 . . . . . . . . . 9 LEU QD2 parsed_1ih9 1 57 1 1 . . . . . . . . . 9 LEU HA parsed_1ih9 1 57 1 2 . . . . . . . . . 12 GLN HN parsed_1ih9 1 58 1 1 . . . . . . . . . 9 LEU HA parsed_1ih9 1 58 1 2 . . . . . . . . . 12 GLN QB parsed_1ih9 1 59 1 1 . . . . . . . . . 9 LEU HA parsed_1ih9 1 59 1 2 . . . . . . . . . 12 GLN HG3 parsed_1ih9 1 60 1 1 . . . . . . . . . 9 LEU HB2 parsed_1ih9 1 60 1 2 . . . . . . . . . 10 AIB HN parsed_1ih9 1 61 1 1 . . . . . . . . . 9 LEU QD2 parsed_1ih9 1 61 1 2 . . . . . . . . . 12 GLN HG3 parsed_1ih9 1 62 1 1 . . . . . . . . . 10 AIB HN parsed_1ih9 1 62 1 2 . . . . . . . . . 10 AIB QB1 parsed_1ih9 1 63 1 1 . . . . . . . . . 10 AIB HN parsed_1ih9 1 63 1 2 . . . . . . . . . 11 HYP HD22 parsed_1ih9 1 64 1 1 . . . . . . . . . 10 AIB HN parsed_1ih9 1 64 1 2 . . . . . . . . . 11 HYP HD23 parsed_1ih9 1 65 1 1 . . . . . . . . . 10 AIB QB1 parsed_1ih9 1 65 1 2 . . . . . . . . . 11 HYP HD22 parsed_1ih9 1 66 1 1 . . . . . . . . . 10 AIB QB1 parsed_1ih9 1 66 1 2 . . . . . . . . . 11 HYP HD23 parsed_1ih9 1 67 1 1 . . . . . . . . . 10 AIB QB1 parsed_1ih9 1 67 1 2 . . . . . . . . . 12 GLN HN parsed_1ih9 1 68 1 1 . . . . . . . . . 10 AIB QB1 parsed_1ih9 1 68 1 2 . . . . . . . . . 13 AIB HN parsed_1ih9 1 69 1 1 . . . . . . . . . 10 AIB QB2 parsed_1ih9 1 69 1 2 . . . . . . . . . 12 GLN HN parsed_1ih9 1 70 1 1 . . . . . . . . . 10 AIB QB2 parsed_1ih9 1 70 1 2 . . . . . . . . . 13 AIB HN parsed_1ih9 1 71 1 1 . . . . . . . . . 11 HYP HD23 parsed_1ih9 1 71 1 2 . . . . . . . . . 12 GLN HN parsed_1ih9 1 72 1 1 . . . . . . . . . 12 GLN HN parsed_1ih9 1 72 1 2 . . . . . . . . . 13 AIB HN parsed_1ih9 1 73 1 1 . . . . . . . . . 12 GLN HN parsed_1ih9 1 73 1 2 . . . . . . . . . 13 AIB QB1 parsed_1ih9 1 74 1 1 . . . . . . . . . 12 GLN HN parsed_1ih9 1 74 1 2 . . . . . . . . . 13 AIB QB2 parsed_1ih9 1 75 1 1 . . . . . . . . . 12 GLN HN parsed_1ih9 1 75 1 2 . . . . . . . . . 14 HYP HD22 parsed_1ih9 1 76 1 1 . . . . . . . . . 12 GLN HN parsed_1ih9 1 76 1 2 . . . . . . . . . 14 HYP HD23 parsed_1ih9 1 77 1 1 . . . . . . . . . 12 GLN HA parsed_1ih9 1 77 1 2 . . . . . . . . . 13 AIB HN parsed_1ih9 1 78 1 1 . . . . . . . . . 12 GLN HA parsed_1ih9 1 78 1 2 . . . . . . . . . 14 HYP HD22 parsed_1ih9 1 79 1 1 . . . . . . . . . 12 GLN HA parsed_1ih9 1 79 1 2 . . . . . . . . . 14 HYP HD23 parsed_1ih9 1 80 1 1 . . . . . . . . . 12 GLN HA parsed_1ih9 1 80 1 2 . . . . . . . . . 15 AIB HN parsed_1ih9 1 81 1 1 . . . . . . . . . 12 GLN HA parsed_1ih9 1 81 1 2 . . . . . . . . . 15 AIB QB1 parsed_1ih9 1 82 1 1 . . . . . . . . . 12 GLN QB parsed_1ih9 1 82 1 2 . . . . . . . . . 15 AIB HN parsed_1ih9 1 83 1 1 . . . . . . . . . 12 GLN HG2 parsed_1ih9 1 83 1 2 . . . . . . . . . 13 AIB HN parsed_1ih9 1 84 1 1 . . . . . . . . . 12 GLN HG2 parsed_1ih9 1 84 1 2 . . . . . . . . . 15 AIB HN parsed_1ih9 1 85 1 1 . . . . . . . . . 12 GLN HG2 parsed_1ih9 1 85 1 2 . . . . . . . . . 15 AIB QB1 parsed_1ih9 1 86 1 1 . . . . . . . . . 12 GLN HG3 parsed_1ih9 1 86 1 2 . . . . . . . . . 13 AIB HN parsed_1ih9 1 87 1 1 . . . . . . . . . 13 AIB HN parsed_1ih9 1 87 1 2 . . . . . . . . . 13 AIB QB1 parsed_1ih9 1 88 1 1 . . . . . . . . . 13 AIB HN parsed_1ih9 1 88 1 2 . . . . . . . . . 14 HYP HD22 parsed_1ih9 1 89 1 1 . . . . . . . . . 13 AIB HN parsed_1ih9 1 89 1 2 . . . . . . . . . 14 HYP HD23 parsed_1ih9 1 90 1 1 . . . . . . . . . 13 AIB QB1 parsed_1ih9 1 90 1 2 . . . . . . . . . 14 HYP HG parsed_1ih9 1 91 1 1 . . . . . . . . . 13 AIB QB1 parsed_1ih9 1 91 1 2 . . . . . . . . . 14 HYP HD22 parsed_1ih9 1 92 1 1 . . . . . . . . . 13 AIB QB1 parsed_1ih9 1 92 1 2 . . . . . . . . . 14 HYP HD23 parsed_1ih9 1 93 1 1 . . . . . . . . . 13 AIB QB1 parsed_1ih9 1 93 1 2 . . . . . . . . . 17 PHE QD parsed_1ih9 1 94 1 1 . . . . . . . . . 13 AIB QB2 parsed_1ih9 1 94 1 2 . . . . . . . . . 15 AIB HN parsed_1ih9 1 95 1 1 . . . . . . . . . 14 HYP HB2 parsed_1ih9 1 95 1 2 . . . . . . . . . 15 AIB HN parsed_1ih9 1 96 1 1 . . . . . . . . . 14 HYP HD22 parsed_1ih9 1 96 1 2 . . . . . . . . . 15 AIB HN parsed_1ih9 1 97 1 1 . . . . . . . . . 14 HYP HD22 parsed_1ih9 1 97 1 2 . . . . . . . . . 15 AIB QB1 parsed_1ih9 1 98 1 1 . . . . . . . . . 14 HYP HD23 parsed_1ih9 1 98 1 2 . . . . . . . . . 15 AIB HN parsed_1ih9 1 99 1 1 . . . . . . . . . 15 AIB HN parsed_1ih9 1 99 1 2 . . . . . . . . . 15 AIB QB1 parsed_1ih9 1 100 1 1 . . . . . . . . . 15 AIB HN parsed_1ih9 1 100 1 2 . . . . . . . . . 16 PRO HD2 parsed_1ih9 1 101 1 1 . . . . . . . . . 15 AIB HN parsed_1ih9 1 101 1 2 . . . . . . . . . 16 PRO HD3 parsed_1ih9 1 102 1 1 . . . . . . . . . 15 AIB QB1 parsed_1ih9 1 102 1 2 . . . . . . . . . 16 PRO HA parsed_1ih9 1 103 1 1 . . . . . . . . . 15 AIB QB1 parsed_1ih9 1 103 1 2 . . . . . . . . . 16 PRO HD2 parsed_1ih9 1 104 1 1 . . . . . . . . . 15 AIB QB1 parsed_1ih9 1 104 1 2 . . . . . . . . . 16 PRO HD3 parsed_1ih9 1 105 1 1 . . . . . . . . . 15 AIB QB1 parsed_1ih9 1 105 1 2 . . . . . . . . . 17 PHE QD parsed_1ih9 1 106 1 1 . . . . . . . . . 15 AIB QB2 parsed_1ih9 1 106 1 2 . . . . . . . . . 17 PHE HN parsed_1ih9 1 107 1 1 . . . . . . . . . 16 PRO HA parsed_1ih9 1 107 1 2 . . . . . . . . . 17 PHE HN parsed_1ih9 1 108 1 1 . . . . . . . . . 16 PRO HB2 parsed_1ih9 1 108 1 2 . . . . . . . . . 17 PHE HN parsed_1ih9 1 109 1 1 . . . . . . . . . 16 PRO HB2 parsed_1ih9 1 109 1 2 . . . . . . . . . 17 PHE HA parsed_1ih9 1 110 1 1 . . . . . . . . . 16 PRO HB2 parsed_1ih9 1 110 1 2 . . . . . . . . . 17 PHE QD parsed_1ih9 1 111 1 1 . . . . . . . . . 16 PRO HB2 parsed_1ih9 1 111 1 2 . . . . . . . . . 17 PHE QE parsed_1ih9 1 112 1 1 . . . . . . . . . 16 PRO HB3 parsed_1ih9 1 112 1 2 . . . . . . . . . 17 PHE QD parsed_1ih9 1 113 1 1 . . . . . . . . . 16 PRO HB3 parsed_1ih9 1 113 1 2 . . . . . . . . . 17 PHE QE parsed_1ih9 1 114 1 1 . . . . . . . . . 16 PRO HG2 parsed_1ih9 1 114 1 2 . . . . . . . . . 17 PHE QD parsed_1ih9 1 115 1 1 . . . . . . . . . 16 PRO HG2 parsed_1ih9 1 115 1 2 . . . . . . . . . 17 PHE QE parsed_1ih9 1 116 1 1 . . . . . . . . . 16 PRO HG3 parsed_1ih9 1 116 1 2 . . . . . . . . . 17 PHE HN parsed_1ih9 1 117 1 1 . . . . . . . . . 16 PRO HG3 parsed_1ih9 1 117 1 2 . . . . . . . . . 17 PHE QD parsed_1ih9 1 118 1 1 . . . . . . . . . 16 PRO HG3 parsed_1ih9 1 118 1 2 . . . . . . . . . 17 PHE QE parsed_1ih9 1 119 1 1 . . . . . . . . . 16 PRO HD2 parsed_1ih9 1 119 1 2 . . . . . . . . . 17 PHE HN parsed_1ih9 1 120 1 1 . . . . . . . . . 16 PRO HD2 parsed_1ih9 1 120 1 2 . . . . . . . . . 17 PHE QD parsed_1ih9 1 121 1 1 . . . . . . . . . 16 PRO HD2 parsed_1ih9 1 121 1 2 . . . . . . . . . 17 PHE QE parsed_1ih9 1 122 1 1 . . . . . . . . . 16 PRO HD3 parsed_1ih9 1 122 1 2 . . . . . . . . . 17 PHE QE parsed_1ih9 1 123 1 1 . . . . . . . . . 17 PHE HN parsed_1ih9 1 123 1 2 . . . . . . . . . 17 PHE HB2 parsed_1ih9 1 124 1 1 . . . . . . . . . 17 PHE HN parsed_1ih9 1 124 1 2 . . . . . . . . . 17 PHE HB3 parsed_1ih9 1 125 1 1 . . . . . . . . . 17 PHE HA parsed_1ih9 1 125 1 2 . . . . . . . . . 17 PHE HB2 parsed_1ih9 1 126 1 1 . . . . . . . . . 17 PHE HA parsed_1ih9 1 126 1 2 . . . . . . . . . 17 PHE HB3 parsed_1ih9 1 127 1 1 . . . . . . . . . 12 GLN HN parsed_1ih9 1 127 1 2 . . . . . . . . . 12 GLN QB parsed_1ih9 1 128 1 1 . . . . . . . . . 12 GLN HN parsed_1ih9 1 128 1 2 . . . . . . . . . 12 GLN HG3 parsed_1ih9 1 129 1 1 . . . . . . . . . 12 GLN HA parsed_1ih9 1 129 1 2 . . . . . . . . . 12 GLN HG2 parsed_1ih9 1 130 1 1 . . . . . . . . . 9 LEU HN parsed_1ih9 1 130 1 2 . . . . . . . . . 9 LEU HB2 parsed_1ih9 1 131 1 1 . . . . . . . . . 9 LEU HA parsed_1ih9 1 131 1 2 . . . . . . . . . 9 LEU HB2 parsed_1ih9 1 132 1 1 . . . . . . . . . 9 LEU HA parsed_1ih9 1 132 1 2 . . . . . . . . . 9 LEU HB3 parsed_1ih9 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 . . . . . . . 5.14 parsed_1ih9 1 2 1 . . . . . . . 5.04 parsed_1ih9 1 3 1 . . . . . . . 4.98 parsed_1ih9 1 4 1 . . . . . . . 5.73 parsed_1ih9 1 5 1 . . . . . . . 7.40 parsed_1ih9 1 6 1 . . . . . . . 7.41 parsed_1ih9 1 7 1 . . . . . . . 3.14 parsed_1ih9 1 8 1 . . . . . . . 3.14 parsed_1ih9 1 9 1 . . . . . . . 3.64 parsed_1ih9 1 10 1 . . . . . . . 4.17 parsed_1ih9 1 11 1 . . . . . . . 3.95 parsed_1ih9 1 12 1 . . . . . . . 3.95 parsed_1ih9 1 13 1 . . . . . . . 3.68 parsed_1ih9 1 14 1 . . . . . . . 3.08 parsed_1ih9 1 15 1 . . . . . . . 4.20 parsed_1ih9 1 16 1 . . . . . . . 3.73 parsed_1ih9 1 17 1 . . . . . . . 3.05 parsed_1ih9 1 18 1 . . . . . . . 3.02 parsed_1ih9 1 19 1 . . . . . . . 3.02 parsed_1ih9 1 20 1 . . . . . . . 6.53 parsed_1ih9 1 21 1 . . . . . . . 3.55 parsed_1ih9 1 22 1 . . . . . . . 4.07 parsed_1ih9 1 23 1 . . . . . . . 3.21 parsed_1ih9 1 24 1 . . . . . . . 5.34 parsed_1ih9 1 25 1 . . . . . . . 6.23 parsed_1ih9 1 26 1 . . . . . . . 4.07 parsed_1ih9 1 27 1 . . . . . . . 4.77 parsed_1ih9 1 28 1 . . . . . . . 3.14 parsed_1ih9 1 29 1 . . . . . . . 4.42 parsed_1ih9 1 30 1 . . . . . . . 4.07 parsed_1ih9 1 31 1 . . . . . . . 4.02 parsed_1ih9 1 32 1 . . . . . . . 4.76 parsed_1ih9 1 33 1 . . . . . . . 6.54 parsed_1ih9 1 34 1 . . . . . . . 6.54 parsed_1ih9 1 35 1 . . . . . . . 3.14 parsed_1ih9 1 36 1 . . . . . . . 3.64 parsed_1ih9 1 37 1 . . . . . . . 5.04 parsed_1ih9 1 38 1 . . . . . . . 3.08 parsed_1ih9 1 39 1 . . . . . . . 3.55 parsed_1ih9 1 40 1 . . . . . . . 4.29 parsed_1ih9 1 41 1 . . . . . . . 5.04 parsed_1ih9 1 42 1 . . . . . . . 3.21 parsed_1ih9 1 43 1 . . . . . . . 2.99 parsed_1ih9 1 44 1 . . . . . . . 4.02 parsed_1ih9 1 45 1 . . . . . . . 6.53 parsed_1ih9 1 46 1 . . . . . . . 7.56 parsed_1ih9 1 47 1 . . . . . . . 7.56 parsed_1ih9 1 48 1 . . . . . . . 6.53 parsed_1ih9 1 49 1 . . . . . . . 4.98 parsed_1ih9 1 50 1 . . . . . . . 2.99 parsed_1ih9 1 51 1 . . . . . . . 6.53 parsed_1ih9 1 52 1 . . . . . . . 6.53 parsed_1ih9 1 53 1 . . . . . . . 2.90 parsed_1ih9 1 54 1 . . . . . . . 3.61 parsed_1ih9 1 55 1 . . . . . . . 6.53 parsed_1ih9 1 56 1 . . . . . . . 6.53 parsed_1ih9 1 57 1 . . . . . . . 4.79 parsed_1ih9 1 58 1 . . . . . . . 6.10 parsed_1ih9 1 59 1 . . . . . . . 4.23 parsed_1ih9 1 60 1 . . . . . . . 3.92 parsed_1ih9 1 61 1 . . . . . . . 5.81 parsed_1ih9 1 62 1 . . . . . . . 3.49 parsed_1ih9 1 63 1 . . . . . . . 4.72 parsed_1ih9 1 64 1 . . . . . . . 4.76 parsed_1ih9 1 65 1 . . . . . . . 4.26 parsed_1ih9 1 66 1 . . . . . . . 3.77 parsed_1ih9 1 67 1 . . . . . . . 6.53 parsed_1ih9 1 68 1 . . . . . . . 6.53 parsed_1ih9 1 69 1 . . . . . . . 5.54 parsed_1ih9 1 70 1 . . . . . . . 5.88 parsed_1ih9 1 71 1 . . . . . . . 5.50 parsed_1ih9 1 72 1 . . . . . . . 2.59 parsed_1ih9 1 73 1 . . . . . . . 5.54 parsed_1ih9 1 74 1 . . . . . . . 5.81 parsed_1ih9 1 75 1 . . . . . . . 3.98 parsed_1ih9 1 76 1 . . . . . . . 5.50 parsed_1ih9 1 77 1 . . . . . . . 3.48 parsed_1ih9 1 78 1 . . . . . . . 4.20 parsed_1ih9 1 79 1 . . . . . . . 5.27 parsed_1ih9 1 80 1 . . . . . . . 4.11 parsed_1ih9 1 81 1 . . . . . . . 5.72 parsed_1ih9 1 82 1 . . . . . . . 5.79 parsed_1ih9 1 83 1 . . . . . . . 5.50 parsed_1ih9 1 84 1 . . . . . . . 5.50 parsed_1ih9 1 85 1 . . . . . . . 4.36 parsed_1ih9 1 86 1 . . . . . . . 5.50 parsed_1ih9 1 87 1 . . . . . . . 3.58 parsed_1ih9 1 88 1 . . . . . . . 3.86 parsed_1ih9 1 89 1 . . . . . . . 3.33 parsed_1ih9 1 90 1 . . . . . . . 6.53 parsed_1ih9 1 91 1 . . . . . . . 4.05 parsed_1ih9 1 92 1 . . . . . . . 3.64 parsed_1ih9 1 93 1 . . . . . . . 8.65 parsed_1ih9 1 94 1 . . . . . . . 6.53 parsed_1ih9 1 95 1 . . . . . . . 3.42 parsed_1ih9 1 96 1 . . . . . . . 3.67 parsed_1ih9 1 97 1 . . . . . . . 6.53 parsed_1ih9 1 98 1 . . . . . . . 5.50 parsed_1ih9 1 99 1 . . . . . . . 3.43 parsed_1ih9 1 100 1 . . . . . . . 3.08 parsed_1ih9 1 101 1 . . . . . . . 3.05 parsed_1ih9 1 102 1 . . . . . . . 5.35 parsed_1ih9 1 103 1 . . . . . . . 4.20 parsed_1ih9 1 104 1 . . . . . . . 3.61 parsed_1ih9 1 105 1 . . . . . . . 8.65 parsed_1ih9 1 106 1 . . . . . . . 5.13 parsed_1ih9 1 107 1 . . . . . . . 3.45 parsed_1ih9 1 108 1 . . . . . . . 3.58 parsed_1ih9 1 109 1 . . . . . . . 5.50 parsed_1ih9 1 110 1 . . . . . . . 7.62 parsed_1ih9 1 111 1 . . . . . . . 7.62 parsed_1ih9 1 112 1 . . . . . . . 7.62 parsed_1ih9 1 113 1 . . . . . . . 7.62 parsed_1ih9 1 114 1 . . . . . . . 7.62 parsed_1ih9 1 115 1 . . . . . . . 7.62 parsed_1ih9 1 116 1 . . . . . . . 5.50 parsed_1ih9 1 117 1 . . . . . . . 7.62 parsed_1ih9 1 118 1 . . . . . . . 7.06 parsed_1ih9 1 119 1 . . . . . . . 3.55 parsed_1ih9 1 120 1 . . . . . . . 6.35 parsed_1ih9 1 121 1 . . . . . . . 7.47 parsed_1ih9 1 122 1 . . . . . . . 7.62 parsed_1ih9 1 123 1 . . . . . . . 2.65 parsed_1ih9 1 124 1 . . . . . . . 3.98 parsed_1ih9 1 125 1 . . . . . . . 3.17 parsed_1ih9 1 126 1 . . . . . . . 2.49 parsed_1ih9 1 127 1 . . . . . . . 3.65 parsed_1ih9 1 128 1 . . . . . . . 2.77 parsed_1ih9 1 129 1 . . . . . . . 2.62 parsed_1ih9 1 130 1 . . . . . . . 2.46 parsed_1ih9 1 131 1 . . . . . . . 3.05 parsed_1ih9 1 132 1 . . . . . . . 2.59 parsed_1ih9 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 "Upl restraints, acount for free rotation of some side-chains" 1 1 1 61 parsed_1ih9 1 2 "some restraints from noe50 peaklist, other from noe100" 2 1 2 55 parsed_1ih9 1 3 "1 GLY QA 2 TRP HD1 6.07" 4 1 4 53 parsed_1ih9 1 4 "1 GLY QA 2 TRP HE3 6.38" 5 1 5 53 parsed_1ih9 1 5 "1 GLY QA 15 AIB HN 6.19" 11 1 11 53 parsed_1ih9 1 6 "1 GLY QA 15 AIB QB1 7.40" 12 1 12 53 parsed_1ih9 1 7 "1 GLY QA 16 PRO HG3 6.38" 13 1 13 53 parsed_1ih9 1 8 "2 TRP HN 2 TRP HB3 3.14 -free rotation" 15 1 15 67 parsed_1ih9 1 9 "2 TRP HN 2 TRP QB 2.92" 16 1 16 53 parsed_1ih9 1 10 "2 TRP HN 2 TRP HD1 3.67" 17 1 17 53 parsed_1ih9 1 11 "2 TRP HA 2 TRP HB2 2.77" 19 1 19 53 parsed_1ih9 1 12 "2 TRP HA 2 TRP HB3 2.77" 20 1 20 53 parsed_1ih9 1 13 "2 TRP HA 2 TRP HD1 3.89" 21 1 21 53 parsed_1ih9 1 14 "2 TRP HA 2 TRP HE3 3.27" 22 1 22 53 parsed_1ih9 1 15 "2 TRP HB2 2 TRP HD1 3.55" 25 1 25 53 parsed_1ih9 1 16 "2 TRP HB2 2 TRP HE3 3.67" 26 1 26 53 parsed_1ih9 1 17 "2 TRP HB3 2 TRP HD1 3.55" 28 1 28 53 parsed_1ih9 1 18 "2 TRP HB3 2 TRP HE3 3.67" 29 1 29 53 parsed_1ih9 1 19 "2 TRP QB 2 TRP HD1 3.37" 31 1 31 53 parsed_1ih9 1 20 "2 TRP QB 2 TRP HE3 3.44" 32 1 32 53 parsed_1ih9 1 21 "2 TRP CB 6 ILE QD1 7.37" 34 1 34 53 parsed_1ih9 1 22 "2 TRP HD1 5 IVA QB2 6.53" 35 1 35 53 parsed_1ih9 1 23 "2 TRP HE3 3 ILE HA 5.50" 36 1 36 53 parsed_1ih9 1 24 "2 TRP HE3 5 IVA QB2 5.07" 37 1 37 53 parsed_1ih9 1 25 "2 TRP HE3 6 ILE QG2 6.25" 38 1 38 53 parsed_1ih9 1 26 "2 TRP HE3 6 ILE QD1 5.13" 39 1 39 53 parsed_1ih9 1 27 "2 TRP HZ3 6 ILE QD1 6.53" 40 1 40 53 parsed_1ih9 1 28 "3 ILE HN 3 ILE HB 2.71" 41 1 41 53 parsed_1ih9 1 29 "3 ILE HN 3 ILE QG2 4.85" 42 1 42 53 parsed_1ih9 1 30 "3 ILE HN 3 ILE HG12 4.01" 43 1 43 53 parsed_1ih9 1 31 "3 ILE HN 3 ILE HG13 4.01" 44 1 44 53 parsed_1ih9 1 32 "3 ILE HN 3 ILE QG1 3.73" 45 1 45 53 parsed_1ih9 1 33 "3 ILE HA 3 ILE HB 2.77" 47 1 47 53 parsed_1ih9 1 34 "3 ILE HA 3 ILE QG2 3.64" 48 1 48 53 parsed_1ih9 1 35 "3 ILE HA 3 ILE QG1 3.74" 49 1 49 53 parsed_1ih9 1 36 "3 ILE HA 6 ILE QG2 4.39" 53 1 53 53 parsed_1ih9 1 37 "3 ILE HA 6 ILE QD1 5.13" 54 1 54 53 parsed_1ih9 1 38 "3 ILE HB 4 GLN HN 3.11" 55 1 55 53 parsed_1ih9 1 39 "3 ILE QG2 4 GLN HN 4.79" 56 1 56 53 parsed_1ih9 1 40 "3 ILE QG2 4 GLN HA 5.23" 57 1 57 53 parsed_1ih9 1 41 "- free rotation" 58 40 58 59 parsed_1ih9 1 42 "4 GLN HN 4 GLN HB3 3.02" 59 1 59 53 parsed_1ih9 1 43 "4 GLN HN 4 GLN QB 2.75" 60 1 60 53 parsed_1ih9 1 44 "4 GLN HN 4 GLN QG 6.00" 61 1 61 53 parsed_1ih9 1 45 "4 GLN HA 4 GLN HB2 2.68" 64 1 64 53 parsed_1ih9 1 46 "4 GLN HA 4 GLN HB3 2.68" 65 1 65 53 parsed_1ih9 1 47 "4 GLN HA 7 THR HB 2.77" 67 1 67 53 parsed_1ih9 1 48 "4 GLN HA 7 THR QG2 5.38" 68 1 68 53 parsed_1ih9 1 49 "4 GLN HA 14 HYP HB3 4.04" 70 1 70 53 parsed_1ih9 1 50 "free rotation" 71 39 71 66 parsed_1ih9 1 51 "4 GLN HB2 5 IVA QG 6.23" 72 1 72 53 parsed_1ih9 1 52 "free rotation" 73 39 73 66 parsed_1ih9 1 53 "4 GLN HB2 15 AIB HN 4.63" 74 1 74 53 parsed_1ih9 1 54 "4 GLN HB3 5 IVA HN 3.21" 75 1 75 53 parsed_1ih9 1 55 "free rotation" 76 39 76 66 parsed_1ih9 1 56 "4 GLN HB3 8 AIB HN 5.34" 77 1 77 53 parsed_1ih9 1 57 "4 GLN HB3 15 AIB HN 4.63" 78 1 78 53 parsed_1ih9 1 58 "4 GLN QB 5 IVA HN 3.02" 79 1 79 53 parsed_1ih9 1 59 "4 GLN QB 5 IVA QG 5.63" 80 1 80 53 parsed_1ih9 1 60 "4 GLN QB 8 AIB HN 5.01" 81 1 81 53 parsed_1ih9 1 61 "4 GLN QG 5 IVA QG 6.92" 82 1 82 53 parsed_1ih9 1 62 "4 GLN QG 14 HYP HD22 6.38" 83 1 83 53 parsed_1ih9 1 63 "4 GLN QG 15 AIB HN 6.38" 84 1 84 53 parsed_1ih9 1 64 "5 IVA QB2 6 ILE QD1 7.56" 89 1 89 53 parsed_1ih9 1 65 "5 IVA HB13 12 GLN HN 5.50" 93 1 93 53 parsed_1ih9 1 66 "6 ILE HN 6 ILE HB 2.65" 96 1 96 53 parsed_1ih9 1 67 "6 ILE HN 6 ILE HG12 4.17" 97 1 97 53 parsed_1ih9 1 68 "6 ILE HN 6 ILE HG13 4.17" 98 1 98 53 parsed_1ih9 1 69 "6 ILE HN 6 ILE QG1 3.74" 99 1 99 53 parsed_1ih9 1 70 "6 ILE HN 6 ILE QD1 6.16" 100 1 100 53 parsed_1ih9 1 71 "6 ILE HA 6 ILE HB 2.93" 102 1 102 53 parsed_1ih9 1 72 "6 ILE HA 6 ILE QG2 3.74" 103 1 103 53 parsed_1ih9 1 73 "6 ILE HA 6 ILE QG1 3.63" 104 1 104 53 parsed_1ih9 1 74 "6 ILE HA 6 ILE QD1 4.48" 105 1 105 53 parsed_1ih9 1 75 "6 ILE HB 7 THR HN 3.14" 108 1 108 53 parsed_1ih9 1 76 "6 ILE QG2 7 THR HN 5.41" 109 1 109 53 parsed_1ih9 1 77 "6 ILE QG2 7 THR QG2 7.56" 110 1 110 53 parsed_1ih9 1 78 "6 ILE QG2 10 AIB QB1 7.56" 111 1 111 53 parsed_1ih9 1 79 "6 ILE QG2 10 AIB QB2 7.56" 112 1 112 53 parsed_1ih9 1 80 "7 THR HN 7 THR HB 3.05" 113 1 113 53 parsed_1ih9 1 81 "7 THR HA 7 THR HB 2.83" 115 1 115 53 parsed_1ih9 1 82 "7 THR HA 7 THR QG2 3.58" 116 1 116 53 parsed_1ih9 1 83 "7 THR QG2 8 AIB HN 6.22" 121 1 121 53 parsed_1ih9 1 84 "7 THR QG2 8 AIB QB1 7.56" 122 1 122 53 parsed_1ih9 1 85 "7 THR QG2 8 AIB QB2 7.56" 123 1 123 53 parsed_1ih9 1 86 "7 THR QG2 9 LEU HA 6.53" 124 1 124 53 parsed_1ih9 1 87 "7 THR QG2 10 AIB QB1 7.56" 125 1 125 53 parsed_1ih9 1 88 "9 LEU HA 12 GLN HE21 4.48" 143 1 143 53 parsed_1ih9 1 89 "9 LEU HB2 12 GLN HE21 4.00 #+0.14 sp dif" 144 1 144 67 parsed_1ih9 1 90 "9 LEU HB3 12 GLN HE21 3.52" 145 1 145 53 parsed_1ih9 1 91 . 146 38 146 39 parsed_1ih9 1 92 "9 LEU HG 12 GLN HE21 4.79" 147 1 147 53 parsed_1ih9 1 93 "9 LEU QD2 12 GLN HE21 5.75" 149 1 149 53 parsed_1ih9 1 94 "11 HYP HB2 12 GLN HN 3.39 -bad line shape" 159 1 159 68 parsed_1ih9 1 95 "+0.2 spin diffusion" 168 38 168 72 parsed_1ih9 1 96 . 173 38 173 55 parsed_1ih9 1 97 "12 GLN HG3 15 AIB QB1 4.76 -spin diffusion" 176 1 176 54 parsed_1ih9 1 98 "from 50" 213 1 213 22 parsed_1ih9 1 99 "peak 97 new calibration" 214 40 214 68 parsed_1ih9 1 100 "peak 98" 215 40 215 52 parsed_1ih9 1 101 "peak 160" 216 40 216 52 parsed_1ih9 1 102 "peak 161" 217 40 217 52 parsed_1ih9 1 103 "17 PHE HN 17 PHE HB2 2.52 #from 50 old calibration" 218 1 218 71 parsed_1ih9 1 104 "17 PHE HN 17 PHE HB3 3.79" 219 1 219 53 parsed_1ih9 1 105 "17 PHE HA 17 PHE HB2 3.05" 220 1 220 53 parsed_1ih9 1 106 "17 PHE HA 17 PHE HB3 2.50 #+0.1" 221 1 221 58 parsed_1ih9 1 107 "from 50" 222 1 222 8 parsed_1ih9 1 108 "12 GLN HN 12 GLN HG2 3.73 - spin diffusion" 224 1 224 69 parsed_1ih9 1 109 "12 GLN HA 12 GLN HG3 2.90 - spin diffusion" 227 1 227 69 parsed_1ih9 1 110 "from 50" 228 1 228 8 parsed_1ih9 1 111 "peak 416" 229 40 229 52 parsed_1ih9 1 112 "peak 209" 230 40 230 52 parsed_1ih9 1 113 "peak 208" 231 40 231 52 parsed_1ih9 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1ih9 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_1ih9 2 2 1 . . . parsed_1ih9 2 3 1 . . . parsed_1ih9 2 4 1 . . . parsed_1ih9 2 5 1 . . . parsed_1ih9 2 6 1 . . . parsed_1ih9 2 7 1 . . . parsed_1ih9 2 8 1 . . . parsed_1ih9 2 9 1 . . . parsed_1ih9 2 10 1 . . . parsed_1ih9 2 11 1 . . . parsed_1ih9 2 12 1 . . . parsed_1ih9 2 13 1 . . . parsed_1ih9 2 14 1 . . . parsed_1ih9 2 15 1 . . . parsed_1ih9 2 16 1 . . . parsed_1ih9 2 17 1 . . . parsed_1ih9 2 18 1 . . . parsed_1ih9 2 19 1 . . . parsed_1ih9 2 20 1 . . . parsed_1ih9 2 21 1 . . . parsed_1ih9 2 22 1 . . . parsed_1ih9 2 23 1 . . . parsed_1ih9 2 24 1 . . . parsed_1ih9 2 25 1 . . . parsed_1ih9 2 26 1 . . . parsed_1ih9 2 27 1 . . . parsed_1ih9 2 28 1 . . . parsed_1ih9 2 29 1 . . . parsed_1ih9 2 30 1 . . . parsed_1ih9 2 31 1 . . . parsed_1ih9 2 32 1 . . . parsed_1ih9 2 33 1 . . . parsed_1ih9 2 34 1 . . . parsed_1ih9 2 35 1 . . . parsed_1ih9 2 36 1 . . . parsed_1ih9 2 37 1 . . . parsed_1ih9 2 38 1 . . . parsed_1ih9 2 39 1 . . . parsed_1ih9 2 40 1 . . . parsed_1ih9 2 41 1 . . . parsed_1ih9 2 42 1 . . . parsed_1ih9 2 43 1 . . . parsed_1ih9 2 44 1 . . . parsed_1ih9 2 45 1 . . . parsed_1ih9 2 46 1 . . . parsed_1ih9 2 47 1 . . . parsed_1ih9 2 48 1 . . . parsed_1ih9 2 49 1 . . . parsed_1ih9 2 50 1 . . . parsed_1ih9 2 51 1 . . . parsed_1ih9 2 52 1 . . . parsed_1ih9 2 53 1 . . . parsed_1ih9 2 54 1 . . . parsed_1ih9 2 55 1 . . . parsed_1ih9 2 56 1 . . . parsed_1ih9 2 57 1 . . . parsed_1ih9 2 58 1 . . . parsed_1ih9 2 59 1 . . . parsed_1ih9 2 60 1 . . . parsed_1ih9 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 . . . . . . . . . 1 GLY O parsed_1ih9 2 1 1 2 . . . . . . . . . 5 IVA HN parsed_1ih9 2 2 1 1 . . . . . . . . . 1 GLY C parsed_1ih9 2 2 1 2 . . . . . . . . . 5 IVA HN parsed_1ih9 2 3 1 1 . . . . . . . . . 1 GLY O parsed_1ih9 2 3 1 2 . . . . . . . . . 5 IVA N parsed_1ih9 2 4 1 1 . . . . . . . . . 2 TRP O parsed_1ih9 2 4 1 2 . . . . . . . . . 6 ILE HN parsed_1ih9 2 5 1 1 . . . . . . . . . 2 TRP C parsed_1ih9 2 5 1 2 . . . . . . . . . 6 ILE HN parsed_1ih9 2 6 1 1 . . . . . . . . . 2 TRP O parsed_1ih9 2 6 1 2 . . . . . . . . . 6 ILE N parsed_1ih9 2 7 1 1 . . . . . . . . . 3 ILE O parsed_1ih9 2 7 1 2 . . . . . . . . . 7 THR HN parsed_1ih9 2 8 1 1 . . . . . . . . . 3 ILE C parsed_1ih9 2 8 1 2 . . . . . . . . . 7 THR HN parsed_1ih9 2 9 1 1 . . . . . . . . . 3 ILE O parsed_1ih9 2 9 1 2 . . . . . . . . . 7 THR N parsed_1ih9 2 10 1 1 . . . . . . . . . 4 GLN O parsed_1ih9 2 10 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 2 11 1 1 . . . . . . . . . 4 GLN C parsed_1ih9 2 11 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 2 12 1 1 . . . . . . . . . 4 GLN O parsed_1ih9 2 12 1 2 . . . . . . . . . 8 AIB N parsed_1ih9 2 13 1 1 . . . . . . . . . 5 IVA O parsed_1ih9 2 13 1 2 . . . . . . . . . 9 LEU HN parsed_1ih9 2 14 1 1 . . . . . . . . . 5 IVA C parsed_1ih9 2 14 1 2 . . . . . . . . . 9 LEU HN parsed_1ih9 2 15 1 1 . . . . . . . . . 5 IVA O parsed_1ih9 2 15 1 2 . . . . . . . . . 9 LEU N parsed_1ih9 2 16 1 1 . . . . . . . . . 7 THR O parsed_1ih9 2 16 1 2 . . . . . . . . . 10 AIB HN parsed_1ih9 2 17 1 1 . . . . . . . . . 7 THR C parsed_1ih9 2 17 1 2 . . . . . . . . . 10 AIB HN parsed_1ih9 2 18 1 1 . . . . . . . . . 7 THR O parsed_1ih9 2 18 1 2 . . . . . . . . . 10 AIB N parsed_1ih9 2 19 1 1 . . . . . . . . . 9 LEU O parsed_1ih9 2 19 1 2 . . . . . . . . . 12 GLN HN parsed_1ih9 2 20 1 1 . . . . . . . . . 9 LEU C parsed_1ih9 2 20 1 2 . . . . . . . . . 12 GLN HN parsed_1ih9 2 21 1 1 . . . . . . . . . 9 LEU O parsed_1ih9 2 21 1 2 . . . . . . . . . 12 GLN N parsed_1ih9 2 22 1 1 . . . . . . . . . 10 AIB O parsed_1ih9 2 22 1 2 . . . . . . . . . 13 AIB HN parsed_1ih9 2 23 1 1 . . . . . . . . . 10 AIB C parsed_1ih9 2 23 1 2 . . . . . . . . . 13 AIB HN parsed_1ih9 2 24 1 1 . . . . . . . . . 10 AIB O parsed_1ih9 2 24 1 2 . . . . . . . . . 13 AIB N parsed_1ih9 2 25 1 1 . . . . . . . . . 11 HYP O parsed_1ih9 2 25 1 2 . . . . . . . . . 15 AIB HN parsed_1ih9 2 26 1 1 . . . . . . . . . 11 HYP C parsed_1ih9 2 26 1 2 . . . . . . . . . 15 AIB HN parsed_1ih9 2 27 1 1 . . . . . . . . . 11 HYP O parsed_1ih9 2 27 1 2 . . . . . . . . . 15 AIB N parsed_1ih9 2 28 1 1 . . . . . . . . . 13 AIB O parsed_1ih9 2 28 1 2 . . . . . . . . . 17 PHE HN parsed_1ih9 2 29 1 1 . . . . . . . . . 13 AIB C parsed_1ih9 2 29 1 2 . . . . . . . . . 17 PHE HN parsed_1ih9 2 30 1 1 . . . . . . . . . 13 AIB O parsed_1ih9 2 30 1 2 . . . . . . . . . 17 PHE N parsed_1ih9 2 31 1 1 . . . . . . . . . 1 GLY O parsed_1ih9 2 31 1 2 . . . . . . . . . 5 IVA HN parsed_1ih9 2 32 1 1 . . . . . . . . . 1 GLY C parsed_1ih9 2 32 1 2 . . . . . . . . . 5 IVA HN parsed_1ih9 2 33 1 1 . . . . . . . . . 1 GLY O parsed_1ih9 2 33 1 2 . . . . . . . . . 5 IVA N parsed_1ih9 2 34 1 1 . . . . . . . . . 2 TRP O parsed_1ih9 2 34 1 2 . . . . . . . . . 6 ILE HN parsed_1ih9 2 35 1 1 . . . . . . . . . 2 TRP C parsed_1ih9 2 35 1 2 . . . . . . . . . 6 ILE HN parsed_1ih9 2 36 1 1 . . . . . . . . . 2 TRP O parsed_1ih9 2 36 1 2 . . . . . . . . . 6 ILE N parsed_1ih9 2 37 1 1 . . . . . . . . . 3 ILE O parsed_1ih9 2 37 1 2 . . . . . . . . . 7 THR HN parsed_1ih9 2 38 1 1 . . . . . . . . . 3 ILE C parsed_1ih9 2 38 1 2 . . . . . . . . . 7 THR HN parsed_1ih9 2 39 1 1 . . . . . . . . . 3 ILE O parsed_1ih9 2 39 1 2 . . . . . . . . . 7 THR N parsed_1ih9 2 40 1 1 . . . . . . . . . 4 GLN O parsed_1ih9 2 40 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 2 41 1 1 . . . . . . . . . 4 GLN C parsed_1ih9 2 41 1 2 . . . . . . . . . 8 AIB HN parsed_1ih9 2 42 1 1 . . . . . . . . . 4 GLN O parsed_1ih9 2 42 1 2 . . . . . . . . . 8 AIB N parsed_1ih9 2 43 1 1 . . . . . . . . . 5 IVA O parsed_1ih9 2 43 1 2 . . . . . . . . . 9 LEU HN parsed_1ih9 2 44 1 1 . . . . . . . . . 5 IVA C parsed_1ih9 2 44 1 2 . . . . . . . . . 9 LEU HN parsed_1ih9 2 45 1 1 . . . . . . . . . 5 IVA O parsed_1ih9 2 45 1 2 . . . . . . . . . 9 LEU N parsed_1ih9 2 46 1 1 . . . . . . . . . 7 THR O parsed_1ih9 2 46 1 2 . . . . . . . . . 10 AIB HN parsed_1ih9 2 47 1 1 . . . . . . . . . 7 THR C parsed_1ih9 2 47 1 2 . . . . . . . . . 10 AIB HN parsed_1ih9 2 48 1 1 . . . . . . . . . 7 THR O parsed_1ih9 2 48 1 2 . . . . . . . . . 10 AIB N parsed_1ih9 2 49 1 1 . . . . . . . . . 9 LEU O parsed_1ih9 2 49 1 2 . . . . . . . . . 12 GLN HN parsed_1ih9 2 50 1 1 . . . . . . . . . 9 LEU C parsed_1ih9 2 50 1 2 . . . . . . . . . 12 GLN HN parsed_1ih9 2 51 1 1 . . . . . . . . . 9 LEU O parsed_1ih9 2 51 1 2 . . . . . . . . . 12 GLN N parsed_1ih9 2 52 1 1 . . . . . . . . . 10 AIB O parsed_1ih9 2 52 1 2 . . . . . . . . . 13 AIB HN parsed_1ih9 2 53 1 1 . . . . . . . . . 10 AIB C parsed_1ih9 2 53 1 2 . . . . . . . . . 13 AIB HN parsed_1ih9 2 54 1 1 . . . . . . . . . 10 AIB O parsed_1ih9 2 54 1 2 . . . . . . . . . 13 AIB N parsed_1ih9 2 55 1 1 . . . . . . . . . 11 HYP O parsed_1ih9 2 55 1 2 . . . . . . . . . 15 AIB HN parsed_1ih9 2 56 1 1 . . . . . . . . . 11 HYP C parsed_1ih9 2 56 1 2 . . . . . . . . . 15 AIB HN parsed_1ih9 2 57 1 1 . . . . . . . . . 11 HYP O parsed_1ih9 2 57 1 2 . . . . . . . . . 15 AIB N parsed_1ih9 2 58 1 1 . . . . . . . . . 13 AIB O parsed_1ih9 2 58 1 2 . . . . . . . . . 17 PHE HN parsed_1ih9 2 59 1 1 . . . . . . . . . 13 AIB C parsed_1ih9 2 59 1 2 . . . . . . . . . 17 PHE HN parsed_1ih9 2 60 1 1 . . . . . . . . . 13 AIB O parsed_1ih9 2 60 1 2 . . . . . . . . . 17 PHE N parsed_1ih9 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 . . . . . . . 2.30 parsed_1ih9 2 2 1 . . . . . . . 3.52 parsed_1ih9 2 3 1 . . . . . . . 3.30 parsed_1ih9 2 4 1 . . . . . . . 2.30 parsed_1ih9 2 5 1 . . . . . . . 3.52 parsed_1ih9 2 6 1 . . . . . . . 3.30 parsed_1ih9 2 7 1 . . . . . . . 2.30 parsed_1ih9 2 8 1 . . . . . . . 3.52 parsed_1ih9 2 9 1 . . . . . . . 3.30 parsed_1ih9 2 10 1 . . . . . . . 2.30 parsed_1ih9 2 11 1 . . . . . . . 3.52 parsed_1ih9 2 12 1 . . . . . . . 3.30 parsed_1ih9 2 13 1 . . . . . . . 2.30 parsed_1ih9 2 14 1 . . . . . . . 3.52 parsed_1ih9 2 15 1 . . . . . . . 3.30 parsed_1ih9 2 16 1 . . . . . . . 2.40 parsed_1ih9 2 17 1 . . . . . . . 3.52 parsed_1ih9 2 18 1 . . . . . . . 3.39 parsed_1ih9 2 19 1 . . . . . . . 2.40 parsed_1ih9 2 20 1 . . . . . . . 3.52 parsed_1ih9 2 21 1 . . . . . . . 3.39 parsed_1ih9 2 22 1 . . . . . . . 2.40 parsed_1ih9 2 23 1 . . . . . . . 3.52 parsed_1ih9 2 24 1 . . . . . . . 3.39 parsed_1ih9 2 25 1 . . . . . . . 2.30 parsed_1ih9 2 26 1 . . . . . . . 3.52 parsed_1ih9 2 27 1 . . . . . . . 3.30 parsed_1ih9 2 28 1 . . . . . . . 2.30 parsed_1ih9 2 29 1 . . . . . . . 3.52 parsed_1ih9 2 30 1 . . . . . . . 3.30 parsed_1ih9 2 31 1 . . . . . . . 1.80 parsed_1ih9 2 32 1 . . . . . . . 2.64 parsed_1ih9 2 33 1 . . . . . . . 2.56 parsed_1ih9 2 34 1 . . . . . . . 1.80 parsed_1ih9 2 35 1 . . . . . . . 2.64 parsed_1ih9 2 36 1 . . . . . . . 2.56 parsed_1ih9 2 37 1 . . . . . . . 1.80 parsed_1ih9 2 38 1 . . . . . . . 2.64 parsed_1ih9 2 39 1 . . . . . . . 2.56 parsed_1ih9 2 40 1 . . . . . . . 1.80 parsed_1ih9 2 41 1 . . . . . . . 2.64 parsed_1ih9 2 42 1 . . . . . . . 2.56 parsed_1ih9 2 43 1 . . . . . . . 1.80 parsed_1ih9 2 44 1 . . . . . . . 2.64 parsed_1ih9 2 45 1 . . . . . . . 2.56 parsed_1ih9 2 46 1 . . . . . . . 1.90 parsed_1ih9 2 47 1 . . . . . . . 2.26 parsed_1ih9 2 48 1 . . . . . . . 2.66 parsed_1ih9 2 49 1 . . . . . . . 1.90 parsed_1ih9 2 50 1 . . . . . . . 2.26 parsed_1ih9 2 51 1 . . . . . . . 2.66 parsed_1ih9 2 52 1 . . . . . . . 1.90 parsed_1ih9 2 53 1 . . . . . . . 2.26 parsed_1ih9 2 54 1 . . . . . . . 2.66 parsed_1ih9 2 55 1 . . . . . . . 1.80 parsed_1ih9 2 56 1 . . . . . . . 2.64 parsed_1ih9 2 57 1 . . . . . . . 2.56 parsed_1ih9 2 58 1 . . . . . . . 1.80 parsed_1ih9 2 59 1 . . . . . . . 2.64 parsed_1ih9 2 60 1 . . . . . . . 2.56 parsed_1ih9 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 "Upl restraints for hydrogen bonds" 1 1 1 34 parsed_1ih9 2 2 "HN5 alpha" 2 1 2 10 parsed_1ih9 2 3 "HN6 alpha" 7 1 7 10 parsed_1ih9 2 4 "HN7 alpha" 12 1 12 10 parsed_1ih9 2 5 "HN8 alpha" 17 1 17 10 parsed_1ih9 2 6 "HN9 alpha" 22 1 22 10 parsed_1ih9 2 7 HN10 27 1 27 5 parsed_1ih9 2 8 "3-10 not bifurcated" 28 1 28 20 parsed_1ih9 2 9 HN12 33 1 33 5 parsed_1ih9 2 10 "3-10 not bifurcated" 34 1 34 20 parsed_1ih9 2 11 HN13 39 1 39 5 parsed_1ih9 2 12 "3-10 not bifurcated" 40 1 40 20 parsed_1ih9 2 13 "HN15 alpha" 45 1 45 11 parsed_1ih9 2 14 "HN17 alpha" 50 1 50 11 parsed_1ih9 2 15 "Lol restraints for hydrogen bonds" 56 1 56 34 parsed_1ih9 2 16 "Recomended constraint for restriction 5->1 bonds:" 57 1 57 50 parsed_1ih9 2 17 "min_H-O 1.80 max_H-O 2.30 min_N-O 2.56 max_N-O 3.30 min_H-C 2.64 max_H-C 3.52" 58 1 58 83 parsed_1ih9 2 18 "Recomended constraint for restriction 4->1 bonds:" 59 1 59 50 parsed_1ih9 2 19 "min_H-O 1.90 max_H-O 2.40 min_N-O 2.66 max_N-O 3.39 min_H-C 2.26 max_H-C 3.52" 60 1 60 83 parsed_1ih9 2 20 "Recomended constraint for restriction bifurcated 4->1 bonds:" 61 1 61 61 parsed_1ih9 2 21 "min_H-O 1.90 max_H-O 2.50 min_N-O 2.43 max_N-O 3.49 min_H-C 2.26 max_H-C 3.62" 62 1 62 83 parsed_1ih9 2 22 "HN5 alpa" 64 1 64 9 parsed_1ih9 2 23 "HN6 alpha" 69 1 69 10 parsed_1ih9 2 24 "HN7 alpha" 74 1 74 10 parsed_1ih9 2 25 "HN8 alpha" 79 1 79 10 parsed_1ih9 2 26 "HN9 alpha" 84 1 84 10 parsed_1ih9 2 27 HN10 89 1 89 5 parsed_1ih9 2 28 "3-10 not bifurcated" 90 1 90 20 parsed_1ih9 2 29 HN12 95 1 95 5 parsed_1ih9 2 30 "3-10 not bifurcated" 96 1 96 20 parsed_1ih9 2 31 HN13 101 1 101 5 parsed_1ih9 2 32 "3-10 not bifurcated" 102 1 102 20 parsed_1ih9 2 33 "HN15 alpha" 107 1 107 11 parsed_1ih9 2 34 "HN17 alpha" 112 1 112 11 parsed_1ih9 2 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1ih9 _Distance_constraint_list.ID 3 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _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_1ih9 3 2 1 . . . parsed_1ih9 3 3 1 . . . parsed_1ih9 3 4 1 . . . parsed_1ih9 3 5 1 . . . parsed_1ih9 3 6 1 . . . parsed_1ih9 3 7 1 . . . parsed_1ih9 3 8 1 . . . parsed_1ih9 3 9 1 . . . parsed_1ih9 3 10 1 . . . parsed_1ih9 3 11 1 . . . parsed_1ih9 3 12 1 . . . parsed_1ih9 3 13 1 . . . parsed_1ih9 3 14 1 . . . parsed_1ih9 3 15 1 . . . parsed_1ih9 3 16 1 . . . parsed_1ih9 3 17 1 . . . parsed_1ih9 3 18 1 . . . parsed_1ih9 3 19 1 . . . parsed_1ih9 3 20 1 . . . parsed_1ih9 3 21 1 . . . parsed_1ih9 3 22 1 . . . parsed_1ih9 3 23 1 . . . parsed_1ih9 3 24 1 . . . parsed_1ih9 3 25 1 . . . parsed_1ih9 3 26 1 . . . parsed_1ih9 3 27 1 . . . parsed_1ih9 3 28 1 . . . parsed_1ih9 3 29 1 . . . parsed_1ih9 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 . . . . . . . . . 2 TRP HE3 parsed_1ih9 3 1 1 2 . . . . . . . . . 2 TRP HN parsed_1ih9 3 2 1 1 . . . . . . . . . 3 ILE HB parsed_1ih9 3 2 1 2 . . . . . . . . . 4 GLN HE21 parsed_1ih9 3 3 1 1 . . . . . . . . . 3 ILE HG12 parsed_1ih9 3 3 1 2 . . . . . . . . . 2 TRP HB3 parsed_1ih9 3 4 1 1 . . . . . . . . . 3 ILE HG13 parsed_1ih9 3 4 1 2 . . . . . . . . . 2 TRP HB3 parsed_1ih9 3 5 1 1 . . . . . . . . . 16 PRO HB2 parsed_1ih9 3 5 1 2 . . . . . . . . . 17 PHE HZ parsed_1ih9 3 6 1 1 . . . . . . . . . 4 GLN HA parsed_1ih9 3 6 1 2 . . . . . . . . . 4 GLN HE21 parsed_1ih9 3 7 1 1 . . . . . . . . . 4 GLN HB2 parsed_1ih9 3 7 1 2 . . . . . . . . . 4 GLN HE21 parsed_1ih9 3 8 1 1 . . . . . . . . . 4 GLN HB3 parsed_1ih9 3 8 1 2 . . . . . . . . . 4 GLN HE21 parsed_1ih9 3 9 1 1 . . . . . . . . . 4 GLN HE22 parsed_1ih9 3 9 1 2 . . . . . . . . . 4 GLN HN parsed_1ih9 3 10 1 1 . . . . . . . . . 4 GLN HE21 parsed_1ih9 3 10 1 2 . . . . . . . . . 4 GLN HN parsed_1ih9 3 11 1 1 . . . . . . . . . 5 IVA HB12 parsed_1ih9 3 11 1 2 . . . . . . . . . 9 LEU HN parsed_1ih9 3 12 1 1 . . . . . . . . . 5 IVA QB2 parsed_1ih9 3 12 1 2 . . . . . . . . . 2 TRP HZ3 parsed_1ih9 3 13 1 1 . . . . . . . . . 9 LEU HA parsed_1ih9 3 13 1 2 . . . . . . . . . 12 GLN HE22 parsed_1ih9 3 14 1 1 . . . . . . . . . 9 LEU HB2 parsed_1ih9 3 14 1 2 . . . . . . . . . 12 GLN HE22 parsed_1ih9 3 15 1 1 . . . . . . . . . 9 LEU HB3 parsed_1ih9 3 15 1 2 . . . . . . . . . 12 GLN HE22 parsed_1ih9 3 16 1 1 . . . . . . . . . 9 LEU HG parsed_1ih9 3 16 1 2 . . . . . . . . . 5 IVA HB12 parsed_1ih9 3 17 1 1 . . . . . . . . . 9 LEU HG parsed_1ih9 3 17 1 2 . . . . . . . . . 12 GLN HE22 parsed_1ih9 3 18 1 1 . . . . . . . . . 9 LEU QD1 parsed_1ih9 3 18 1 2 . . . . . . . . . 12 GLN HE22 parsed_1ih9 3 19 1 1 . . . . . . . . . 9 LEU QD1 parsed_1ih9 3 19 1 2 . . . . . . . . . 12 GLN HE21 parsed_1ih9 3 20 1 1 . . . . . . . . . 12 GLN HB2 parsed_1ih9 3 20 1 2 . . . . . . . . . 12 GLN HE22 parsed_1ih9 3 21 1 1 . . . . . . . . . 12 GLN HB2 parsed_1ih9 3 21 1 2 . . . . . . . . . 12 GLN HE21 parsed_1ih9 3 22 1 1 . . . . . . . . . 12 GLN HB3 parsed_1ih9 3 22 1 2 . . . . . . . . . 12 GLN HE21 parsed_1ih9 3 23 1 1 . . . . . . . . . 12 GLN HB3 parsed_1ih9 3 23 1 2 . . . . . . . . . 12 GLN HE22 parsed_1ih9 3 24 1 1 . . . . . . . . . 12 GLN HG2 parsed_1ih9 3 24 1 2 . . . . . . . . . 12 GLN HE22 parsed_1ih9 3 25 1 1 . . . . . . . . . 12 GLN HB3 parsed_1ih9 3 25 1 2 . . . . . . . . . 16 PRO HD3 parsed_1ih9 3 26 1 1 . . . . . . . . . 12 GLN HB2 parsed_1ih9 3 26 1 2 . . . . . . . . . 16 PRO HD3 parsed_1ih9 3 27 1 1 . . . . . . . . . 12 GLN HG2 parsed_1ih9 3 27 1 2 . . . . . . . . . 16 PRO HD3 parsed_1ih9 3 28 1 1 . . . . . . . . . 12 GLN HG3 parsed_1ih9 3 28 1 2 . . . . . . . . . 16 PRO HD3 parsed_1ih9 3 29 1 1 . . . . . . . . . 1 GLY QA parsed_1ih9 3 29 1 2 . . . . . . . . . 4 GLN HE22 parsed_1ih9 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 . . . . . . . 3.00 parsed_1ih9 3 2 1 . . . . . . . 3.00 parsed_1ih9 3 3 1 . . . . . . . 3.00 parsed_1ih9 3 4 1 . . . . . . . 3.00 parsed_1ih9 3 5 1 . . . . . . . 3.00 parsed_1ih9 3 6 1 . . . . . . . 3.00 parsed_1ih9 3 7 1 . . . . . . . 3.00 parsed_1ih9 3 8 1 . . . . . . . 3.00 parsed_1ih9 3 9 1 . . . . . . . 3.00 parsed_1ih9 3 10 1 . . . . . . . 3.00 parsed_1ih9 3 11 1 . . . . . . . 3.00 parsed_1ih9 3 12 1 . . . . . . . 3.00 parsed_1ih9 3 13 1 . . . . . . . 3.00 parsed_1ih9 3 14 1 . . . . . . . 3.00 parsed_1ih9 3 15 1 . . . . . . . 3.00 parsed_1ih9 3 16 1 . . . . . . . 3.00 parsed_1ih9 3 17 1 . . . . . . . 3.00 parsed_1ih9 3 18 1 . . . . . . . 3.00 parsed_1ih9 3 19 1 . . . . . . . 3.00 parsed_1ih9 3 20 1 . . . . . . . 3.00 parsed_1ih9 3 21 1 . . . . . . . 3.00 parsed_1ih9 3 22 1 . . . . . . . 3.00 parsed_1ih9 3 23 1 . . . . . . . 3.00 parsed_1ih9 3 24 1 . . . . . . . 3.00 parsed_1ih9 3 25 1 . . . . . . . 3.00 parsed_1ih9 3 26 1 . . . . . . . 3.00 parsed_1ih9 3 27 1 . . . . . . . 3.00 parsed_1ih9 3 28 1 . . . . . . . 3.00 parsed_1ih9 3 29 1 . . . . . . . 3.00 parsed_1ih9 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 "Lol restraints, for peaks expexted but not presented in spectra" 1 1 1 64 parsed_1ih9 3 stop_ save_ save_DYANA/DIANA_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1ih9 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 5 _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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 2 TRP . . . . . . . . . . . . . parsed_1ih9 1 2 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 9 LEU . . . . . . . . . . . . . parsed_1ih9 1 3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 3 ILE . . . . . . . . . . . . . parsed_1ih9 1 4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 4 GLN . . . . . . . . . . . . . parsed_1ih9 1 5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 6 ILE . . . . . . . . . . . . . parsed_1ih9 1 6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 7 THR . . . . . . . . . . . . . parsed_1ih9 1 7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -60.0 . . 9 LEU . . . . . . . . . . . . . parsed_1ih9 1 8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 12 GLN . . . . . . . . . . . . . parsed_1ih9 1 9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -90.0 . . 17 PHE . . . . . . . . . . . . . parsed_1ih9 1 10 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 PHE . . . . . . . . . . . . . parsed_1ih9 1 11 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 GLN . . . . . . . . . . . . . parsed_1ih9 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 "digedral angle restraints (.aco), acount for free rotation" 1 1 1 59 parsed_1ih9 1 2 "2 TRP CHI1 30.0 90.0" 3 1 3 33 parsed_1ih9 1 3 "3 ILE CHI1 -90.0 -30.0" 4 1 4 33 parsed_1ih9 1 4 "4 GLN CHI1 -90.0 -30.0" 5 1 5 33 parsed_1ih9 1 5 "6 ILE CHI1 -90.0 -30.0" 6 1 6 33 parsed_1ih9 1 6 "7 THR CHI1 -90.0 -30.0" 7 1 7 33 parsed_1ih9 1 stop_ save_
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