NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
606790 | 2ndn | 26066 | cing | 2-parsed | STAR | entry | full | 159 |
data_2ndn_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2ndn _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_2ndn 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2ndn _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 2ndn "Master copy" parsed_2ndn stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2ndn _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 2ndn.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ndn 1 1 2ndn.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 33 parsed_2ndn 1 1 2ndn.mr . . DYANA/DIANA 3 distance NOE simple 120 parsed_2ndn 1 1 2ndn.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 6 parsed_2ndn 1 1 2ndn.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ndn 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_2ndn _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 PLANT PROTEIN 26-JUL-16 2NDN *TITLE NMR SOLUTION STRUCTURE OF PAWS DERIVED PEPTIDE 20 (PDP-20) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PAWS1A DERIVED PEPTIDE 20; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: RESIDUES 63-78; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: ZINNIA HAAGEANA; *SOURCE 4 ORGANISM_TAXID: 1525732; *SOURCE 5 OTHER_DETAILS: ASSEMBLED BY FMOC SOLID PHASE PEPTIDE SYNTHESIS AND *SOURCE 6 CYCLISED BY NATIVE CHEMICAL LIGATION. *KEYWDS PDP, PAWS DERIVED PEPTIDE, PLANT PEPTIDE, CYCLIC PEPTIDE, PLANT *KEYWDS 2 PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR B.FRANKE, A.S.JAYASENA, M.F.FISHER, J.E.SWEDBERG, N.L.TAYLOR, *AUTHOR 2 J.S.MYLNE, K.ROSENGREN *REVDAT 1 24-AUG-16 2NDN 0 ; save_ save_DYANA/DIANA_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2ndn _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71.7 111.7 . . 1 GLY . . . . . . . . . . . . . parsed_2ndn 1 2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.8 26.9 . . 1 GLY . . . . . . . . . . . . . parsed_2ndn 1 3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.5 -57.3 . . 2 ILE . . . . . . . . . . . . . parsed_2ndn 1 4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.2 150.2 . . 2 ILE . . . . . . . . . . . . . parsed_2ndn 1 5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.8 -96.9 . . 3 CYSS . . . . . . . . . . . . . parsed_2ndn 1 6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.1 161.1 . . 3 CYSS . . . . . . . . . . . . . parsed_2ndn 1 7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.5 -93.8 . . 4 PHE . . . . . . . . . . . . . parsed_2ndn 1 8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.9 167.6 . . 4 PHE . . . . . . . . . . . . . parsed_2ndn 1 9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.8 -74.2 . . 5 LYS . . . . . . . . . . . . . parsed_2ndn 1 10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.0 153.0 . . 5 LYS . . . . . . . . . . . . . parsed_2ndn 1 11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.9 -48.9 . . 6 ASP . . . . . . . . . . . . . parsed_2ndn 1 12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.3 179.4 . . 6 ASP . . . . . . . . . . . . . parsed_2ndn 1 13 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.8 -0.8 . . 7 PRO . . . . . . . . . . . . . parsed_2ndn 1 14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.3 -75.3 . . 8 PHE . . . . . . . . . . . . . parsed_2ndn 1 15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.0 27.2 . . 8 PHE . . . . . . . . . . . . . parsed_2ndn 1 16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 57.7 117.7 . . 9 GLY . . . . . . . . . . . . . parsed_2ndn 1 17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.1 103.9 . . 9 GLY . . . . . . . . . . . . . parsed_2ndn 1 18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.8 -57.1 . . 10 SER . . . . . . . . . . . . . parsed_2ndn 1 19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.3 163.3 . . 10 SER . . . . . . . . . . . . . parsed_2ndn 1 20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.1 -54.8 . . 11 THR . . . . . . . . . . . . . parsed_2ndn 1 21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.1 147.1 . . 11 THR . . . . . . . . . . . . . parsed_2ndn 1 22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.2 -72.2 . . 12 LEU . . . . . . . . . . . . . parsed_2ndn 1 23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.9 148.9 . . 12 LEU . . . . . . . . . . . . . parsed_2ndn 1 24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.3 -112.0 . . 13 CYSS . . . . . . . . . . . . . parsed_2ndn 1 25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.2 178.2 . . 13 CYSS . . . . . . . . . . . . . parsed_2ndn 1 26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.9 -44.3 . . 14 ALA . . . . . . . . . . . . . parsed_2ndn 1 27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.9 193.2 . . 14 ALA . . . . . . . . . . . . . parsed_2ndn 1 28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.6 -9.6 . . 15 PRO . . . . . . . . . . . . . parsed_2ndn 1 29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.8 -63.8 . . 16 ASP . . . . . . . . . . . . . parsed_2ndn 1 30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.4 16.6 . . 16 ASP . . . . . . . . . . . . . parsed_2ndn 1 31 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 3 CYSS . . . . . . . . . . . . . parsed_2ndn 1 32 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 8 PHE . . . . . . . . . . . . . parsed_2ndn 1 33 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 13 CYSS . . . . . . . . . . . . . parsed_2ndn 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 "1 G 91.676 4.090 8.444 11.423 0.395 0.719 25 14 Strong" 1 1 1 72 parsed_2ndn 1 2 "2 I -78.374 130.170 10.546 5.202 0.395 0.797 25 14 Strong" 5 1 5 72 parsed_2ndn 1 3 "3 c -120.354 141.074 11.714 9.037 0.482 0.882 25 15 Strong" 9 1 9 72 parsed_2ndn 1 4 "4 F -127.168 142.727 16.676 12.434 0.491 0.894 25 15 Strong" 13 1 13 72 parsed_2ndn 1 5 "5 K -105.036 124.526 15.400 14.255 0.397 0.890 25 15 Strong" 17 1 17 72 parsed_2ndn 1 6 "6 D -68.949 146.370 7.840 16.539 0.395 0.867 25 13 Strong" 21 1 21 71 parsed_2ndn 1 7 "7 P -61.772 -20.849 8.673 7.778 0.393 0.785 25 13 Strong" 25 1 25 72 parsed_2ndn 1 8 "7 PRO PHI -81.8 -41.8" 26 1 26 34 parsed_2ndn 1 9 "8 F -95.316 2.628 8.999 12.306 0.333 0.736 25 12 Strong" 29 1 29 72 parsed_2ndn 1 10 "9 G 87.716 -1.103 7.343 35.712 0.440 0.703 10 13 Generous" 33 1 33 73 parsed_2ndn 1 11 "10 S -77.965 143.257 10.441 8.611 0.498 0.755 25 13 Strong" 37 1 37 72 parsed_2ndn 1 12 "11 T -79.458 127.085 12.332 9.416 0.500 0.810 25 14 Strong" 41 1 41 72 parsed_2ndn 1 13 "12 L -104.698 128.895 16.252 9.085 0.465 0.870 25 15 Strong" 45 1 45 72 parsed_2ndn 1 14 "13 c -133.650 158.218 10.816 8.617 0.402 0.884 25 15 Strong" 49 1 49 72 parsed_2ndn 1 15 "14 A -75.097 151.528 15.413 20.815 0.419 0.865 25 13 Strong" 53 1 53 72 parsed_2ndn 1 16 "15 P -55.058 -29.551 4.320 5.384 0.358 0.816 25 13 Strong" 57 1 57 72 parsed_2ndn 1 17 "15 PRO PHI -75.1 -35.1" 58 1 58 34 parsed_2ndn 1 18 "16 D -83.775 -3.435 6.767 8.104 0.495 0.773 25 12 Strong" 61 1 61 72 parsed_2ndn 1 19 "Chi Angles" 65 1 65 12 parsed_2ndn 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2ndn _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_2ndn 1 2 1 . . . parsed_2ndn 1 3 1 . . . parsed_2ndn 1 4 1 . . . parsed_2ndn 1 5 1 . . . parsed_2ndn 1 6 1 . . . parsed_2ndn 1 7 1 . . . parsed_2ndn 1 8 1 . . . parsed_2ndn 1 9 1 . . . parsed_2ndn 1 10 1 . . . parsed_2ndn 1 11 1 . . . parsed_2ndn 1 12 1 . . . parsed_2ndn 1 13 1 . . . parsed_2ndn 1 14 1 . . . parsed_2ndn 1 15 1 . . . parsed_2ndn 1 16 1 . . . parsed_2ndn 1 17 1 . . . parsed_2ndn 1 18 1 . . . parsed_2ndn 1 19 1 . . . parsed_2ndn 1 20 1 . . . parsed_2ndn 1 21 1 . . . parsed_2ndn 1 22 1 . . . parsed_2ndn 1 23 1 . . . parsed_2ndn 1 24 1 . . . parsed_2ndn 1 25 1 . . . parsed_2ndn 1 26 1 . . . parsed_2ndn 1 27 1 . . . parsed_2ndn 1 28 1 . . . parsed_2ndn 1 29 1 . . . parsed_2ndn 1 30 1 . . . parsed_2ndn 1 31 1 . . . parsed_2ndn 1 32 1 . . . parsed_2ndn 1 33 1 . . . parsed_2ndn 1 34 1 . . . parsed_2ndn 1 35 1 . . . parsed_2ndn 1 36 1 . . . parsed_2ndn 1 37 1 . . . parsed_2ndn 1 38 1 . . . parsed_2ndn 1 39 1 . . . parsed_2ndn 1 40 1 . . . parsed_2ndn 1 41 1 . . . parsed_2ndn 1 42 1 . . . parsed_2ndn 1 43 1 . . . parsed_2ndn 1 44 1 . . . parsed_2ndn 1 45 1 . . . parsed_2ndn 1 46 1 . . . parsed_2ndn 1 47 1 . . . parsed_2ndn 1 48 1 . . . parsed_2ndn 1 49 1 . . . parsed_2ndn 1 50 1 . . . parsed_2ndn 1 51 1 . . . parsed_2ndn 1 52 1 . . . parsed_2ndn 1 53 1 . . . parsed_2ndn 1 54 1 . . . parsed_2ndn 1 55 1 . . . parsed_2ndn 1 56 1 . . . parsed_2ndn 1 57 1 . . . parsed_2ndn 1 58 1 . . . parsed_2ndn 1 59 1 . . . parsed_2ndn 1 60 1 . . . parsed_2ndn 1 61 1 . . . parsed_2ndn 1 62 1 . . . parsed_2ndn 1 63 1 . . . parsed_2ndn 1 64 1 . . . parsed_2ndn 1 65 1 . . . parsed_2ndn 1 66 1 . . . parsed_2ndn 1 67 1 . . . parsed_2ndn 1 68 1 . . . parsed_2ndn 1 69 1 . . . parsed_2ndn 1 70 1 . . . parsed_2ndn 1 71 1 . . . parsed_2ndn 1 72 1 . . . parsed_2ndn 1 73 1 . . . parsed_2ndn 1 74 1 . . . parsed_2ndn 1 75 1 . . . parsed_2ndn 1 76 1 . . . parsed_2ndn 1 77 1 . . . parsed_2ndn 1 78 1 . . . parsed_2ndn 1 79 1 . . . parsed_2ndn 1 80 1 . . . parsed_2ndn 1 81 1 . . . parsed_2ndn 1 82 1 . . . parsed_2ndn 1 83 1 . . . parsed_2ndn 1 84 1 . . . parsed_2ndn 1 85 1 . . . parsed_2ndn 1 86 1 . . . parsed_2ndn 1 87 1 . . . parsed_2ndn 1 88 1 . . . parsed_2ndn 1 89 1 . . . parsed_2ndn 1 90 1 . . . parsed_2ndn 1 91 1 . . . parsed_2ndn 1 92 1 . . . parsed_2ndn 1 93 1 . . . parsed_2ndn 1 94 1 . . . parsed_2ndn 1 95 1 . . . parsed_2ndn 1 96 1 . . . parsed_2ndn 1 97 1 . . . parsed_2ndn 1 98 1 . . . parsed_2ndn 1 99 1 . . . parsed_2ndn 1 100 1 . . . parsed_2ndn 1 101 1 . . . parsed_2ndn 1 102 1 . . . parsed_2ndn 1 103 1 . . . parsed_2ndn 1 104 1 . . . parsed_2ndn 1 105 1 . . . parsed_2ndn 1 106 1 . . . parsed_2ndn 1 107 1 . . . parsed_2ndn 1 108 1 . . . parsed_2ndn 1 109 1 . . . parsed_2ndn 1 110 1 . . . parsed_2ndn 1 111 1 . . . parsed_2ndn 1 112 1 . . . parsed_2ndn 1 113 1 . . . parsed_2ndn 1 114 1 . . . parsed_2ndn 1 115 1 . . . parsed_2ndn 1 116 1 . . . parsed_2ndn 1 117 1 . . . parsed_2ndn 1 118 1 . . . parsed_2ndn 1 119 1 . . . parsed_2ndn 1 120 1 . . . parsed_2ndn 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 12 LEU H parsed_2ndn 1 1 1 2 . . . . . . . . . 12 LEU HG parsed_2ndn 1 2 1 1 . . . . . . . . . 5 LYS QG parsed_2ndn 1 2 1 2 . . . . . . . . . 6 ASP H parsed_2ndn 1 3 1 1 . . . . . . . . . 12 LEU H parsed_2ndn 1 3 1 2 . . . . . . . . . 12 LEU QD1 parsed_2ndn 1 4 1 1 . . . . . . . . . 12 LEU H parsed_2ndn 1 4 1 2 . . . . . . . . . 12 LEU QD2 parsed_2ndn 1 5 1 1 . . . . . . . . . 2 ILE H parsed_2ndn 1 5 1 2 . . . . . . . . . 2 ILE HB parsed_2ndn 1 6 1 1 . . . . . . . . . 2 ILE H parsed_2ndn 1 6 1 2 . . . . . . . . . 2 ILE HG13 parsed_2ndn 1 7 1 1 . . . . . . . . . 2 ILE H parsed_2ndn 1 7 1 2 . . . . . . . . . 2 ILE QG2 parsed_2ndn 1 8 1 1 . . . . . . . . . 2 ILE H parsed_2ndn 1 8 1 2 . . . . . . . . . 2 ILE QD1 parsed_2ndn 1 9 1 1 . . . . . . . . . 3 CYSS H parsed_2ndn 1 9 1 2 . . . . . . . . . 3 CYSS HB2 parsed_2ndn 1 10 1 1 . . . . . . . . . 3 CYSS H parsed_2ndn 1 10 1 2 . . . . . . . . . 3 CYSS HB3 parsed_2ndn 1 11 1 1 . . . . . . . . . 11 THR QG2 parsed_2ndn 1 11 1 2 . . . . . . . . . 12 LEU H parsed_2ndn 1 12 1 1 . . . . . . . . . 11 THR HB parsed_2ndn 1 12 1 2 . . . . . . . . . 12 LEU H parsed_2ndn 1 13 1 1 . . . . . . . . . 11 THR H parsed_2ndn 1 13 1 2 . . . . . . . . . 11 THR HB parsed_2ndn 1 14 1 1 . . . . . . . . . 11 THR H parsed_2ndn 1 14 1 2 . . . . . . . . . 11 THR QG2 parsed_2ndn 1 15 1 1 . . . . . . . . . 11 THR HA parsed_2ndn 1 15 1 2 . . . . . . . . . 12 LEU H parsed_2ndn 1 16 1 1 . . . . . . . . . 3 CYSS HA parsed_2ndn 1 16 1 2 . . . . . . . . . 3 CYSS HB2 parsed_2ndn 1 17 1 1 . . . . . . . . . 3 CYSS HA parsed_2ndn 1 17 1 2 . . . . . . . . . 3 CYSS HB3 parsed_2ndn 1 18 1 1 . . . . . . . . . 2 ILE HA parsed_2ndn 1 18 1 2 . . . . . . . . . 3 CYSS H parsed_2ndn 1 19 1 1 . . . . . . . . . 1 GLY H parsed_2ndn 1 19 1 2 . . . . . . . . . 16 ASP HA parsed_2ndn 1 20 1 1 . . . . . . . . . 14 ALA HA parsed_2ndn 1 20 1 2 . . . . . . . . . 15 PRO HD2 parsed_2ndn 1 21 1 1 . . . . . . . . . 14 ALA HA parsed_2ndn 1 21 1 2 . . . . . . . . . 15 PRO HD3 parsed_2ndn 1 22 1 1 . . . . . . . . . 12 LEU HA parsed_2ndn 1 22 1 2 . . . . . . . . . 13 CYSS H parsed_2ndn 1 23 1 1 . . . . . . . . . 13 CYSS H parsed_2ndn 1 23 1 2 . . . . . . . . . 13 CYSS HB2 parsed_2ndn 1 24 1 1 . . . . . . . . . 13 CYSS HA parsed_2ndn 1 24 1 2 . . . . . . . . . 14 ALA H parsed_2ndn 1 25 1 1 . . . . . . . . . 14 ALA H parsed_2ndn 1 25 1 2 . . . . . . . . . 14 ALA QB parsed_2ndn 1 26 1 1 . . . . . . . . . 6 ASP H parsed_2ndn 1 26 1 2 . . . . . . . . . 6 ASP HB2 parsed_2ndn 1 27 1 1 . . . . . . . . . 6 ASP H parsed_2ndn 1 27 1 2 . . . . . . . . . 6 ASP HB3 parsed_2ndn 1 28 1 1 . . . . . . . . . 5 LYS HA parsed_2ndn 1 28 1 2 . . . . . . . . . 6 ASP H parsed_2ndn 1 29 1 1 . . . . . . . . . 5 LYS H parsed_2ndn 1 29 1 2 . . . . . . . . . 5 LYS QE parsed_2ndn 1 30 1 1 . . . . . . . . . 5 LYS H parsed_2ndn 1 30 1 2 . . . . . . . . . 5 LYS QG parsed_2ndn 1 31 1 1 . . . . . . . . . 5 LYS H parsed_2ndn 1 31 1 2 . . . . . . . . . 5 LYS QD parsed_2ndn 1 32 1 1 . . . . . . . . . 4 PHE HA parsed_2ndn 1 32 1 2 . . . . . . . . . 5 LYS H parsed_2ndn 1 33 1 1 . . . . . . . . . 4 PHE H parsed_2ndn 1 33 1 2 . . . . . . . . . 4 PHE QB parsed_2ndn 1 34 1 1 . . . . . . . . . 4 PHE H parsed_2ndn 1 34 1 2 . . . . . . . . . 13 CYSS HA parsed_2ndn 1 35 1 1 . . . . . . . . . 3 CYSS HA parsed_2ndn 1 35 1 2 . . . . . . . . . 4 PHE H parsed_2ndn 1 36 1 1 . . . . . . . . . 10 SER HA parsed_2ndn 1 36 1 2 . . . . . . . . . 11 THR H parsed_2ndn 1 37 1 1 . . . . . . . . . 13 CYSS HB3 parsed_2ndn 1 37 1 2 . . . . . . . . . 14 ALA H parsed_2ndn 1 38 1 1 . . . . . . . . . 13 CYSS HB2 parsed_2ndn 1 38 1 2 . . . . . . . . . 14 ALA H parsed_2ndn 1 39 1 1 . . . . . . . . . 3 CYSS HA parsed_2ndn 1 39 1 2 . . . . . . . . . 14 ALA H parsed_2ndn 1 40 1 1 . . . . . . . . . 3 CYSS HA parsed_2ndn 1 40 1 2 . . . . . . . . . 13 CYSS HA parsed_2ndn 1 41 1 1 . . . . . . . . . 2 ILE HB parsed_2ndn 1 41 1 2 . . . . . . . . . 3 CYSS H parsed_2ndn 1 42 1 1 . . . . . . . . . 14 ALA QB parsed_2ndn 1 42 1 2 . . . . . . . . . 16 ASP H parsed_2ndn 1 43 1 1 . . . . . . . . . 2 ILE H parsed_2ndn 1 43 1 2 . . . . . . . . . 14 ALA QB parsed_2ndn 1 44 1 1 . . . . . . . . . 2 ILE H parsed_2ndn 1 44 1 2 . . . . . . . . . 2 ILE HG12 parsed_2ndn 1 45 1 1 . . . . . . . . . 4 PHE QB parsed_2ndn 1 45 1 2 . . . . . . . . . 5 LYS H parsed_2ndn 1 46 1 1 . . . . . . . . . 8 PHE HA parsed_2ndn 1 46 1 2 . . . . . . . . . 8 PHE QE parsed_2ndn 1 47 1 1 . . . . . . . . . 8 PHE HA parsed_2ndn 1 47 1 2 . . . . . . . . . 8 PHE QD parsed_2ndn 1 48 1 1 . . . . . . . . . 14 ALA QB parsed_2ndn 1 48 1 2 . . . . . . . . . 15 PRO HD3 parsed_2ndn 1 49 1 1 . . . . . . . . . 14 ALA QB parsed_2ndn 1 49 1 2 . . . . . . . . . 15 PRO HD2 parsed_2ndn 1 50 1 1 . . . . . . . . . 6 ASP HB2 parsed_2ndn 1 50 1 2 . . . . . . . . . 7 PRO HD3 parsed_2ndn 1 51 1 1 . . . . . . . . . 6 ASP HB3 parsed_2ndn 1 51 1 2 . . . . . . . . . 7 PRO HD3 parsed_2ndn 1 52 1 1 . . . . . . . . . 6 ASP HB3 parsed_2ndn 1 52 1 2 . . . . . . . . . 7 PRO HD2 parsed_2ndn 1 53 1 1 . . . . . . . . . 6 ASP HB2 parsed_2ndn 1 53 1 2 . . . . . . . . . 7 PRO HD2 parsed_2ndn 1 54 1 1 . . . . . . . . . 4 PHE QD parsed_2ndn 1 54 1 2 . . . . . . . . . 5 LYS H parsed_2ndn 1 55 1 1 . . . . . . . . . 4 PHE H parsed_2ndn 1 55 1 2 . . . . . . . . . 4 PHE QD parsed_2ndn 1 56 1 1 . . . . . . . . . 2 ILE H parsed_2ndn 1 56 1 2 . . . . . . . . . 14 ALA H parsed_2ndn 1 57 1 1 . . . . . . . . . 1 GLY H parsed_2ndn 1 57 1 2 . . . . . . . . . 2 ILE H parsed_2ndn 1 58 1 1 . . . . . . . . . 1 GLY H parsed_2ndn 1 58 1 2 . . . . . . . . . 16 ASP H parsed_2ndn 1 59 1 1 . . . . . . . . . 8 PHE H parsed_2ndn 1 59 1 2 . . . . . . . . . 9 GLY H parsed_2ndn 1 60 1 1 . . . . . . . . . 8 PHE H parsed_2ndn 1 60 1 2 . . . . . . . . . 10 SER H parsed_2ndn 1 61 1 1 . . . . . . . . . 9 GLY H parsed_2ndn 1 61 1 2 . . . . . . . . . 10 SER H parsed_2ndn 1 62 1 1 . . . . . . . . . 2 ILE QG2 parsed_2ndn 1 62 1 2 . . . . . . . . . 3 CYSS H parsed_2ndn 1 63 1 1 . . . . . . . . . 3 CYSS HA parsed_2ndn 1 63 1 2 . . . . . . . . . 4 PHE QD parsed_2ndn 1 64 1 1 . . . . . . . . . 4 PHE HA parsed_2ndn 1 64 1 2 . . . . . . . . . 4 PHE QD parsed_2ndn 1 65 1 1 . . . . . . . . . 6 ASP HB3 parsed_2ndn 1 65 1 2 . . . . . . . . . 8 PHE QD parsed_2ndn 1 66 1 1 . . . . . . . . . 6 ASP HB2 parsed_2ndn 1 66 1 2 . . . . . . . . . 8 PHE QD parsed_2ndn 1 67 1 1 . . . . . . . . . 4 PHE QD parsed_2ndn 1 67 1 2 . . . . . . . . . 14 ALA QB parsed_2ndn 1 68 1 1 . . . . . . . . . 4 PHE QD parsed_2ndn 1 68 1 2 . . . . . . . . . 12 LEU HB2 parsed_2ndn 1 69 1 1 . . . . . . . . . 4 PHE QD parsed_2ndn 1 69 1 2 . . . . . . . . . 12 LEU HB3 parsed_2ndn 1 70 1 1 . . . . . . . . . 11 THR HA parsed_2ndn 1 70 1 2 . . . . . . . . . 11 THR QG2 parsed_2ndn 1 71 1 1 . . . . . . . . . 2 ILE HA parsed_2ndn 1 71 1 2 . . . . . . . . . 2 ILE HG12 parsed_2ndn 1 72 1 1 . . . . . . . . . 2 ILE HA parsed_2ndn 1 72 1 2 . . . . . . . . . 2 ILE HG13 parsed_2ndn 1 73 1 1 . . . . . . . . . 2 ILE HA parsed_2ndn 1 73 1 2 . . . . . . . . . 2 ILE QD1 parsed_2ndn 1 74 1 1 . . . . . . . . . 2 ILE QG2 parsed_2ndn 1 74 1 2 . . . . . . . . . 2 ILE QD1 parsed_2ndn 1 75 1 1 . . . . . . . . . 4 PHE HA parsed_2ndn 1 75 1 2 . . . . . . . . . 4 PHE QB parsed_2ndn 1 76 1 1 . . . . . . . . . 5 LYS HA parsed_2ndn 1 76 1 2 . . . . . . . . . 5 LYS QE parsed_2ndn 1 77 1 1 . . . . . . . . . 5 LYS HA parsed_2ndn 1 77 1 2 . . . . . . . . . 5 LYS QD parsed_2ndn 1 78 1 1 . . . . . . . . . 5 LYS QG parsed_2ndn 1 78 1 2 . . . . . . . . . 5 LYS QE parsed_2ndn 1 79 1 1 . . . . . . . . . 5 LYS HB2 parsed_2ndn 1 79 1 2 . . . . . . . . . 5 LYS QD parsed_2ndn 1 80 1 1 . . . . . . . . . 5 LYS HB3 parsed_2ndn 1 80 1 2 . . . . . . . . . 5 LYS QD parsed_2ndn 1 81 1 1 . . . . . . . . . 5 LYS QG parsed_2ndn 1 81 1 2 . . . . . . . . . 5 LYS QD parsed_2ndn 1 82 1 1 . . . . . . . . . 10 SER H parsed_2ndn 1 82 1 2 . . . . . . . . . 10 SER QB parsed_2ndn 1 83 1 1 . . . . . . . . . 10 SER QB parsed_2ndn 1 83 1 2 . . . . . . . . . 11 THR H parsed_2ndn 1 84 1 1 . . . . . . . . . 12 LEU HA parsed_2ndn 1 84 1 2 . . . . . . . . . 12 LEU QD1 parsed_2ndn 1 85 1 1 . . . . . . . . . 12 LEU HA parsed_2ndn 1 85 1 2 . . . . . . . . . 12 LEU QD2 parsed_2ndn 1 86 1 1 . . . . . . . . . 7 PRO QG parsed_2ndn 1 86 1 2 . . . . . . . . . 8 PHE H parsed_2ndn 1 87 1 1 . . . . . . . . . 1 GLY H parsed_2ndn 1 87 1 2 . . . . . . . . . 14 ALA QB parsed_2ndn 1 88 1 1 . . . . . . . . . 2 ILE HB parsed_2ndn 1 88 1 2 . . . . . . . . . 14 ALA H parsed_2ndn 1 89 1 1 . . . . . . . . . 4 PHE QE parsed_2ndn 1 89 1 2 . . . . . . . . . 14 ALA QB parsed_2ndn 1 90 1 1 . . . . . . . . . 6 ASP HA parsed_2ndn 1 90 1 2 . . . . . . . . . 7 PRO QG parsed_2ndn 1 91 1 1 . . . . . . . . . 1 GLY H parsed_2ndn 1 91 1 2 . . . . . . . . . 1 GLY QA parsed_2ndn 1 92 1 1 . . . . . . . . . 2 ILE H parsed_2ndn 1 92 1 2 . . . . . . . . . 2 ILE QG1 parsed_2ndn 1 93 1 1 . . . . . . . . . 2 ILE HA parsed_2ndn 1 93 1 2 . . . . . . . . . 2 ILE QG1 parsed_2ndn 1 94 1 1 . . . . . . . . . 2 ILE QG2 parsed_2ndn 1 94 1 2 . . . . . . . . . 2 ILE QG1 parsed_2ndn 1 95 1 1 . . . . . . . . . 3 CYSS H parsed_2ndn 1 95 1 2 . . . . . . . . . 3 CYSS QB parsed_2ndn 1 96 1 1 . . . . . . . . . 3 CYSS QB parsed_2ndn 1 96 1 2 . . . . . . . . . 4 PHE H parsed_2ndn 1 97 1 1 . . . . . . . . . 4 PHE H parsed_2ndn 1 97 1 2 . . . . . . . . . 12 LEU QB parsed_2ndn 1 98 1 1 . . . . . . . . . 4 PHE QE parsed_2ndn 1 98 1 2 . . . . . . . . . 12 LEU QB parsed_2ndn 1 99 1 1 . . . . . . . . . 4 PHE QE parsed_2ndn 1 99 1 2 . . . . . . . . . 12 LEU QQD parsed_2ndn 1 100 1 1 . . . . . . . . . 5 LYS H parsed_2ndn 1 100 1 2 . . . . . . . . . 5 LYS QB parsed_2ndn 1 101 1 1 . . . . . . . . . 5 LYS QB parsed_2ndn 1 101 1 2 . . . . . . . . . 5 LYS QD parsed_2ndn 1 102 1 1 . . . . . . . . . 5 LYS QB parsed_2ndn 1 102 1 2 . . . . . . . . . 5 LYS QE parsed_2ndn 1 103 1 1 . . . . . . . . . 5 LYS QB parsed_2ndn 1 103 1 2 . . . . . . . . . 6 ASP H parsed_2ndn 1 104 1 1 . . . . . . . . . 6 ASP H parsed_2ndn 1 104 1 2 . . . . . . . . . 6 ASP QB parsed_2ndn 1 105 1 1 . . . . . . . . . 6 ASP HA parsed_2ndn 1 105 1 2 . . . . . . . . . 7 PRO QD parsed_2ndn 1 106 1 1 . . . . . . . . . 6 ASP QB parsed_2ndn 1 106 1 2 . . . . . . . . . 7 PRO QD parsed_2ndn 1 107 1 1 . . . . . . . . . 6 ASP QB parsed_2ndn 1 107 1 2 . . . . . . . . . 8 PHE H parsed_2ndn 1 108 1 1 . . . . . . . . . 6 ASP QB parsed_2ndn 1 108 1 2 . . . . . . . . . 8 PHE QD parsed_2ndn 1 109 1 1 . . . . . . . . . 7 PRO QD parsed_2ndn 1 109 1 2 . . . . . . . . . 8 PHE H parsed_2ndn 1 110 1 1 . . . . . . . . . 7 PRO QD parsed_2ndn 1 110 1 2 . . . . . . . . . 8 PHE QD parsed_2ndn 1 111 1 1 . . . . . . . . . 8 PHE H parsed_2ndn 1 111 1 2 . . . . . . . . . 8 PHE QB parsed_2ndn 1 112 1 1 . . . . . . . . . 8 PHE QB parsed_2ndn 1 112 1 2 . . . . . . . . . 10 SER H parsed_2ndn 1 113 1 1 . . . . . . . . . 12 LEU H parsed_2ndn 1 113 1 2 . . . . . . . . . 12 LEU QB parsed_2ndn 1 114 1 1 . . . . . . . . . 12 LEU QB parsed_2ndn 1 114 1 2 . . . . . . . . . 12 LEU HG parsed_2ndn 1 115 1 1 . . . . . . . . . 12 LEU QB parsed_2ndn 1 115 1 2 . . . . . . . . . 13 CYSS H parsed_2ndn 1 116 1 1 . . . . . . . . . 14 ALA HA parsed_2ndn 1 116 1 2 . . . . . . . . . 15 PRO QD parsed_2ndn 1 117 1 1 . . . . . . . . . 14 ALA QB parsed_2ndn 1 117 1 2 . . . . . . . . . 15 PRO QD parsed_2ndn 1 118 1 1 . . . . . . . . . 15 PRO QB parsed_2ndn 1 118 1 2 . . . . . . . . . 16 ASP H parsed_2ndn 1 119 1 1 . . . . . . . . . 15 PRO QD parsed_2ndn 1 119 1 2 . . . . . . . . . 16 ASP H parsed_2ndn 1 120 1 1 . . . . . . . . . 16 ASP H parsed_2ndn 1 120 1 2 . . . . . . . . . 16 ASP QB parsed_2ndn 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 . . . . . . . 5.06 parsed_2ndn 1 2 1 . . . . . . . 4.93 parsed_2ndn 1 3 1 . . . . . . . 5.50 parsed_2ndn 1 4 1 . . . . . . . 5.50 parsed_2ndn 1 5 1 . . . . . . . 3.23 parsed_2ndn 1 6 1 . . . . . . . 3.96 parsed_2ndn 1 7 1 . . . . . . . 5.50 parsed_2ndn 1 8 1 . . . . . . . 5.50 parsed_2ndn 1 9 1 . . . . . . . 3.98 parsed_2ndn 1 10 1 . . . . . . . 3.98 parsed_2ndn 1 11 1 . . . . . . . 4.20 parsed_2ndn 1 12 1 . . . . . . . 5.50 parsed_2ndn 1 13 1 . . . . . . . 3.02 parsed_2ndn 1 14 1 . . . . . . . 4.15 parsed_2ndn 1 15 1 . . . . . . . 2.87 parsed_2ndn 1 16 1 . . . . . . . 2.99 parsed_2ndn 1 17 1 . . . . . . . 2.99 parsed_2ndn 1 18 1 . . . . . . . 2.52 parsed_2ndn 1 19 1 . . . . . . . 3.75 parsed_2ndn 1 20 1 . . . . . . . 3.62 parsed_2ndn 1 21 1 . . . . . . . 3.62 parsed_2ndn 1 22 1 . . . . . . . 3.02 parsed_2ndn 1 23 1 . . . . . . . 3.36 parsed_2ndn 1 24 1 . . . . . . . 2.60 parsed_2ndn 1 25 1 . . . . . . . 3.14 parsed_2ndn 1 26 1 . . . . . . . 4.01 parsed_2ndn 1 27 1 . . . . . . . 4.01 parsed_2ndn 1 28 1 . . . . . . . 2.65 parsed_2ndn 1 29 1 . . . . . . . 5.50 parsed_2ndn 1 30 1 . . . . . . . 5.48 parsed_2ndn 1 31 1 . . . . . . . 4.81 parsed_2ndn 1 32 1 . . . . . . . 3.00 parsed_2ndn 1 33 1 . . . . . . . 4.04 parsed_2ndn 1 34 1 . . . . . . . 4.00 parsed_2ndn 1 35 1 . . . . . . . 2.72 parsed_2ndn 1 36 1 . . . . . . . 2.69 parsed_2ndn 1 37 1 . . . . . . . 3.46 parsed_2ndn 1 38 1 . . . . . . . 4.22 parsed_2ndn 1 39 1 . . . . . . . 4.01 parsed_2ndn 1 40 1 . . . . . . . 2.46 parsed_2ndn 1 41 1 . . . . . . . 4.77 parsed_2ndn 1 42 1 . . . . . . . 3.41 parsed_2ndn 1 43 1 . . . . . . . 4.04 parsed_2ndn 1 44 1 . . . . . . . 3.96 parsed_2ndn 1 45 1 . . . . . . . 3.71 parsed_2ndn 1 46 1 . . . . . . . 5.44 parsed_2ndn 1 47 1 . . . . . . . 3.96 parsed_2ndn 1 48 1 . . . . . . . 3.15 parsed_2ndn 1 49 1 . . . . . . . 3.15 parsed_2ndn 1 50 1 . . . . . . . 5.50 parsed_2ndn 1 51 1 . . . . . . . 5.50 parsed_2ndn 1 52 1 . . . . . . . 5.50 parsed_2ndn 1 53 1 . . . . . . . 5.50 parsed_2ndn 1 54 1 . . . . . . . 5.50 parsed_2ndn 1 55 1 . . . . . . . 4.21 parsed_2ndn 1 56 1 . . . . . . . 4.48 parsed_2ndn 1 57 1 . . . . . . . 3.45 parsed_2ndn 1 58 1 . . . . . . . 3.99 parsed_2ndn 1 59 1 . . . . . . . 2.88 parsed_2ndn 1 60 1 . . . . . . . 5.03 parsed_2ndn 1 61 1 . . . . . . . 3.39 parsed_2ndn 1 62 1 . . . . . . . 4.95 parsed_2ndn 1 63 1 . . . . . . . 5.50 parsed_2ndn 1 64 1 . . . . . . . 5.11 parsed_2ndn 1 65 1 . . . . . . . 4.83 parsed_2ndn 1 66 1 . . . . . . . 4.83 parsed_2ndn 1 67 1 . . . . . . . 4.93 parsed_2ndn 1 68 1 . . . . . . . 5.50 parsed_2ndn 1 69 1 . . . . . . . 5.50 parsed_2ndn 1 70 1 . . . . . . . 3.22 parsed_2ndn 1 71 1 . . . . . . . 4.14 parsed_2ndn 1 72 1 . . . . . . . 4.14 parsed_2ndn 1 73 1 . . . . . . . 5.50 parsed_2ndn 1 74 1 . . . . . . . 2.48 parsed_2ndn 1 75 1 . . . . . . . 3.02 parsed_2ndn 1 76 1 . . . . . . . 5.32 parsed_2ndn 1 77 1 . . . . . . . 5.50 parsed_2ndn 1 78 1 . . . . . . . 3.57 parsed_2ndn 1 79 1 . . . . . . . 3.13 parsed_2ndn 1 80 1 . . . . . . . 3.13 parsed_2ndn 1 81 1 . . . . . . . 2.40 parsed_2ndn 1 82 1 . . . . . . . 2.88 parsed_2ndn 1 83 1 . . . . . . . 3.24 parsed_2ndn 1 84 1 . . . . . . . 5.50 parsed_2ndn 1 85 1 . . . . . . . 5.50 parsed_2ndn 1 86 1 . . . . . . . 5.46 parsed_2ndn 1 87 1 . . . . . . . 5.01 parsed_2ndn 1 88 1 . . . . . . . 5.50 parsed_2ndn 1 89 1 . . . . . . . 5.49 parsed_2ndn 1 90 1 . . . . . . . 5.50 parsed_2ndn 1 91 1 . . . . . . . 2.55 parsed_2ndn 1 92 1 . . . . . . . 3.47 parsed_2ndn 1 93 1 . . . . . . . 3.51 parsed_2ndn 1 94 1 . . . . . . . 2.39 parsed_2ndn 1 95 1 . . . . . . . 3.13 parsed_2ndn 1 96 1 . . . . . . . 3.75 parsed_2ndn 1 97 1 . . . . . . . 5.17 parsed_2ndn 1 98 1 . . . . . . . 4.51 parsed_2ndn 1 99 1 . . . . . . . 4.82 parsed_2ndn 1 100 1 . . . . . . . 3.01 parsed_2ndn 1 101 1 . . . . . . . 2.55 parsed_2ndn 1 102 1 . . . . . . . 2.85 parsed_2ndn 1 103 1 . . . . . . . 4.23 parsed_2ndn 1 104 1 . . . . . . . 3.14 parsed_2ndn 1 105 1 . . . . . . . 3.23 parsed_2ndn 1 106 1 . . . . . . . 3.89 parsed_2ndn 1 107 1 . . . . . . . 4.56 parsed_2ndn 1 108 1 . . . . . . . 4.14 parsed_2ndn 1 109 1 . . . . . . . 4.10 parsed_2ndn 1 110 1 . . . . . . . 5.06 parsed_2ndn 1 111 1 . . . . . . . 3.11 parsed_2ndn 1 112 1 . . . . . . . 3.11 parsed_2ndn 1 113 1 . . . . . . . 3.49 parsed_2ndn 1 114 1 . . . . . . . 2.54 parsed_2ndn 1 115 1 . . . . . . . 4.08 parsed_2ndn 1 116 1 . . . . . . . 3.04 parsed_2ndn 1 117 1 . . . . . . . 2.67 parsed_2ndn 1 118 1 . . . . . . . 3.64 parsed_2ndn 1 119 1 . . . . . . . 3.66 parsed_2ndn 1 120 1 . . . . . . . 3.19 parsed_2ndn 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 "peak 3 #SUP 0.91 #QF 0.91" 1 49 1 74 parsed_2ndn 1 2 "peak 4 #SUP 1.00 #QF 0.82" 2 49 2 74 parsed_2ndn 1 3 "peak 6 #SUP 1.00" 3 49 3 65 parsed_2ndn 1 4 "peak 7 #SUP 0.96 #QF 0.96" 4 49 4 74 parsed_2ndn 1 5 "peak 39 #SUP 0.88 #QF 0.88" 5 49 5 75 parsed_2ndn 1 6 "peak 40 #SUP 0.98 #QF 0.98" 6 49 6 75 parsed_2ndn 1 7 "peak 41 #SUP 1.00" 7 49 7 66 parsed_2ndn 1 8 "peak 43 #SUP 1.00" 8 49 8 66 parsed_2ndn 1 9 "peak 47 #SUP 0.62 #QF 0.62" 9 49 9 75 parsed_2ndn 1 10 "peak 48 #SUP 0.94 #QF 0.94" 10 49 10 75 parsed_2ndn 1 11 "peak 52 #SUP 0.88 #QF 0.88" 11 49 11 75 parsed_2ndn 1 12 "peak 53 #SUP 0.99 #QF 0.99" 12 49 12 75 parsed_2ndn 1 13 "peak 55 #SUP 0.55 #QF 0.55" 13 49 13 75 parsed_2ndn 1 14 "peak 56 #SUP 0.96 #QF 0.96" 14 49 14 75 parsed_2ndn 1 15 "peak 57 #SUP 0.37 #QF 0.37" 15 49 15 75 parsed_2ndn 1 16 "peak 61 #SUP 0.95 #QF 0.95" 16 49 16 75 parsed_2ndn 1 17 "peak 62 #SUP 0.97 #QF 0.97" 17 49 17 75 parsed_2ndn 1 18 "peak 63 #SUP 0.26 #QF 0.26" 18 49 18 75 parsed_2ndn 1 19 "peak 64 #SUP 0.41 #QF 0.41" 19 49 19 75 parsed_2ndn 1 20 "peak 66 #SUP 0.99 #QF 0.99" 20 49 20 75 parsed_2ndn 1 21 "peak 67 #SUP 0.99 #QF 0.99" 21 49 21 75 parsed_2ndn 1 22 "peak 91 #SUP 0.42 #QF 0.42" 22 49 22 75 parsed_2ndn 1 23 "peak 92 #SUP 0.73 #QF 0.73" 23 49 23 75 parsed_2ndn 1 24 "peak 94 #SUP 0.58 #QF 0.58" 24 49 24 75 parsed_2ndn 1 25 "peak 96 #SUP 0.52 #QF 0.52" 25 49 25 75 parsed_2ndn 1 26 "peak 101 #SUP 0.95 #QF 0.95" 26 49 26 76 parsed_2ndn 1 27 "peak 102 #SUP 0.70 #QF 0.70" 27 49 27 76 parsed_2ndn 1 28 "peak 103 #SUP 0.28 #QF 0.28" 28 49 28 76 parsed_2ndn 1 29 "peak 104 #SUP 1.00" 29 49 29 67 parsed_2ndn 1 30 "peak 106 #SUP 1.00" 30 49 30 67 parsed_2ndn 1 31 "peak 107 #SUP 0.98 #QF 0.98" 31 49 31 76 parsed_2ndn 1 32 "peak 111 #SUP 0.50 #QF 0.50" 32 49 32 76 parsed_2ndn 1 33 "peak 114 #SUP 0.95 #QF 0.95" 33 49 33 76 parsed_2ndn 1 34 "peak 115 #SUP 0.90 #QF 0.90" 34 49 34 76 parsed_2ndn 1 35 "peak 131 #SUP 0.67 #QF 0.67" 35 49 35 76 parsed_2ndn 1 36 "peak 132 #SUP 0.40 #QF 0.40" 36 49 36 76 parsed_2ndn 1 37 "peak 134 #SUP 0.75 #QF 0.75" 37 49 37 76 parsed_2ndn 1 38 "peak 135 #SUP 0.93 #QF 0.93" 38 49 38 76 parsed_2ndn 1 39 "peak 136 #SUP 0.93 #QF 0.93" 39 49 39 76 parsed_2ndn 1 40 "peak 156 #SUP 0.89 #QF 0.89" 40 49 40 76 parsed_2ndn 1 41 "peak 160 #SUP 0.99 #QF 0.99" 41 49 41 76 parsed_2ndn 1 42 "peak 163 #SUP 0.73 #QF 0.73" 42 49 42 76 parsed_2ndn 1 43 "peak 167 #SUP 0.68 #QF 0.68" 43 49 43 76 parsed_2ndn 1 44 "peak 168 #SUP 0.99 #QF 0.99" 44 49 44 76 parsed_2ndn 1 45 "peak 174 #SUP 0.85 #QF 0.85" 45 49 45 76 parsed_2ndn 1 46 "peak 180 #SUP 0.91 #QF 0.91" 46 49 46 76 parsed_2ndn 1 47 "peak 181 #SUP 1.00" 47 49 47 67 parsed_2ndn 1 48 "peak 184 #SUP 0.83 #QF 0.83" 48 49 48 76 parsed_2ndn 1 49 "peak 185 #SUP 0.89 #QF 0.89" 49 49 49 76 parsed_2ndn 1 50 "peak 189 #SUP 0.87 #QF 0.87" 50 49 50 76 parsed_2ndn 1 51 "peak 190 #SUP 1.00" 51 49 51 67 parsed_2ndn 1 52 "peak 191 #SUP 1.00" 52 49 52 67 parsed_2ndn 1 53 "peak 192 #SUP 1.00" 53 49 53 67 parsed_2ndn 1 54 "peak 193 #SUP 1.00" 54 49 54 67 parsed_2ndn 1 55 "peak 194 #SUP 0.96 #QF 0.96" 55 49 55 76 parsed_2ndn 1 56 "peak 195 #SUP 0.84 #QF 0.84" 56 49 56 76 parsed_2ndn 1 57 "peak 196 #SUP 0.72 #QF 0.72" 57 49 57 76 parsed_2ndn 1 58 "peak 197 #SUP 0.51 #QF 0.51" 58 49 58 76 parsed_2ndn 1 59 "peak 198 #SUP 0.50 #QF 0.50" 59 49 59 76 parsed_2ndn 1 60 "peak 199 #SUP 0.99 #QF 0.99" 60 49 60 76 parsed_2ndn 1 61 "peak 200 #SUP 0.81 #QF 0.81" 61 49 61 76 parsed_2ndn 1 62 "peak 204 #SUP 0.99 #QF 0.99" 62 49 62 76 parsed_2ndn 1 63 "peak 207 #SUP 0.93 #QF 0.93" 63 49 63 76 parsed_2ndn 1 64 "peak 208 #SUP 0.88 #QF 0.88" 64 49 64 76 parsed_2ndn 1 65 "peak 210 #SUP 0.92 #QF 0.92" 65 49 65 76 parsed_2ndn 1 66 "peak 211 #SUP 0.81 #QF 0.81" 66 49 66 76 parsed_2ndn 1 67 "peak 213 #SUP 0.64 #QF 0.64" 67 49 67 76 parsed_2ndn 1 68 "peak 214 #SUP 0.96 #QF 0.42" 68 49 68 76 parsed_2ndn 1 69 "peak 219 #SUP 1.00" 69 49 69 67 parsed_2ndn 1 70 "peak 239 #SUP 0.98 #QF 0.98" 70 49 70 76 parsed_2ndn 1 71 "peak 243 #SUP 1.00" 71 49 71 67 parsed_2ndn 1 72 "peak 244 #SUP 0.98 #QF 0.98" 72 49 72 76 parsed_2ndn 1 73 "peak 246 #SUP 1.00" 73 49 73 67 parsed_2ndn 1 74 "peak 255 #SUP 0.84 #QF 0.84" 74 49 74 76 parsed_2ndn 1 75 "peak 258 #SUP 0.98 #QF 0.98" 75 49 75 76 parsed_2ndn 1 76 "peak 259 #SUP 0.99 #QF 0.99" 76 49 76 76 parsed_2ndn 1 77 "peak 262 #SUP 0.99 #QF 0.99" 77 49 77 76 parsed_2ndn 1 78 "peak 267 #SUP 0.96 #QF 0.96" 78 49 78 76 parsed_2ndn 1 79 "peak 269 #SUP 0.98 #QF 0.98" 79 49 79 76 parsed_2ndn 1 80 "peak 271 #SUP 0.74 #QF 0.74" 80 49 80 76 parsed_2ndn 1 81 "peak 273 #SUP 0.99 #QF 0.99" 81 49 81 76 parsed_2ndn 1 82 "peak 274 #SUP 0.51 #QF 0.51" 82 49 82 76 parsed_2ndn 1 83 "peak 275 #SUP 0.70 #QF 0.70" 83 49 83 76 parsed_2ndn 1 84 "peak 280 #SUP 0.98 #QF 0.98" 84 49 84 76 parsed_2ndn 1 85 "peak 281 #SUP 1.00" 85 49 85 67 parsed_2ndn 1 86 "peak 293 #SUP 0.72 #QF 0.72" 86 49 86 76 parsed_2ndn 1 87 "peak 298 #SUP 0.82 #QF 0.82" 87 49 87 76 parsed_2ndn 1 88 "peak 299 #SUP 0.85 #QF 0.85" 88 49 88 76 parsed_2ndn 1 89 "peak 300 #SUP 0.86 #QF 0.86" 89 49 89 76 parsed_2ndn 1 90 "peak 304 #SUP 0.88 #QF 0.88" 90 49 90 76 parsed_2ndn 1 91 "peak 24" 91 49 91 56 parsed_2ndn 1 92 "peak 40" 92 49 92 56 parsed_2ndn 1 93 "peak 244" 93 49 93 57 parsed_2ndn 1 94 "peak 254" 94 49 94 57 parsed_2ndn 1 95 "peak 47" 95 49 95 56 parsed_2ndn 1 96 "peak 215" 96 49 96 57 parsed_2ndn 1 97 "peak 117" 97 49 97 57 parsed_2ndn 1 98 "peak 302" 98 49 98 57 parsed_2ndn 1 99 "peak 301" 99 49 99 57 parsed_2ndn 1 100 "peak 109" 100 49 100 57 parsed_2ndn 1 101 "peak 271" 101 49 101 57 parsed_2ndn 1 102 "peak 264" 102 49 102 57 parsed_2ndn 1 103 "peak 161" 103 49 103 57 parsed_2ndn 1 104 "peak 102" 104 49 104 57 parsed_2ndn 1 105 "peak 139" 105 49 105 57 parsed_2ndn 1 106 "peak 189" 106 49 106 57 parsed_2ndn 1 107 "peak 221" 107 49 107 57 parsed_2ndn 1 108 "peak 211" 108 49 108 57 parsed_2ndn 1 109 "peak 222" 109 49 109 57 parsed_2ndn 1 110 "peak 294" 110 49 110 57 parsed_2ndn 1 111 "peak 122" 111 49 111 57 parsed_2ndn 1 112 "peak 138" 112 49 112 57 parsed_2ndn 1 113 "peak 5" 113 49 113 55 parsed_2ndn 1 114 "peak 282" 114 49 114 57 parsed_2ndn 1 115 "peak 162" 115 49 115 57 parsed_2ndn 1 116 "peak 66" 116 49 116 56 parsed_2ndn 1 117 "peak 184" 117 49 117 57 parsed_2ndn 1 118 "peak 164" 118 49 118 57 parsed_2ndn 1 119 "peak 165" 119 49 119 57 parsed_2ndn 1 120 "peak 32" 120 49 120 56 parsed_2ndn 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2ndn _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _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_2ndn 2 2 1 . . . parsed_2ndn 2 3 1 . . . parsed_2ndn 2 4 1 . . . parsed_2ndn 2 5 1 . . . parsed_2ndn 2 6 1 . . . parsed_2ndn 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 . . . . . . . . . 12 LEU H parsed_2ndn 2 1 1 2 . . . . . . . . . 4 PHE O parsed_2ndn 2 2 1 1 . . . . . . . . . 12 LEU N parsed_2ndn 2 2 1 2 . . . . . . . . . 4 PHE O parsed_2ndn 2 3 1 1 . . . . . . . . . 4 PHE H parsed_2ndn 2 3 1 2 . . . . . . . . . 12 LEU O parsed_2ndn 2 4 1 1 . . . . . . . . . 4 PHE N parsed_2ndn 2 4 1 2 . . . . . . . . . 12 LEU O parsed_2ndn 2 5 1 1 . . . . . . . . . 14 ALA H parsed_2ndn 2 5 1 2 . . . . . . . . . 2 ILE O parsed_2ndn 2 6 1 1 . . . . . . . . . 14 ALA N parsed_2ndn 2 6 1 2 . . . . . . . . . 2 ILE O parsed_2ndn 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_2ndn 2 2 1 . . . . . . . 3.30 parsed_2ndn 2 3 1 . . . . . . . 2.30 parsed_2ndn 2 4 1 . . . . . . . 3.30 parsed_2ndn 2 5 1 . . . . . . . 2.30 parsed_2ndn 2 6 1 . . . . . . . 3.30 parsed_2ndn 2 stop_ save_
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