NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
640122 | 6rsm | 34406 | cing | 2-parsed | STAR | entry | full | 135 |
data_6rsm_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6rsm _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_6rsm 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6rsm _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 6rsm "Master copy" parsed_6rsm stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6rsm _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 6rsm.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6rsm 1 1 6rsm.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 8 parsed_6rsm 1 1 6rsm.mr . . DYANA/DIANA 3 distance NOE simple 113 parsed_6rsm 1 1 6rsm.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 6 parsed_6rsm 1 1 6rsm.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 8 parsed_6rsm 1 1 6rsm.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6rsm 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_6rsm _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 ANTIMICROBIAL PROTEIN 21-MAY-19 6RSM *TITLE SOLUTION NMR STRUCTURE OF THE PEPTIDE 12530 FROM MEDICINAL LEECH *TITLE 2 HIRUDO MEDICINALIS IN DODECYLPHOSPHOCHOLINE MICELLES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PEPTIDE 12530; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HIRUDO MEDICINALIS; *SOURCE 4 ORGANISM_TAXID: 6421 *KEYWDS ANTIMICROBIAL PEPTIDES, MEDICINAL LEECH, HIRUDO MEDICINALIS, GENOME, *KEYWDS 2 PREDICTION ALGORITHM, DOOECYLPHOSPHOCHOLINE MICELLES, ANTIMICROBIAL *KEYWDS 3 PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR I.A.TALYZINA,K.D.NADEZHDIN,E.N.GRAFSKAIA,A.S.ARSENIEV,V.N.LAZAREV *REVDAT 1 24-JUL-19 6RSM 0 ; save_ save_DYANA/DIANA_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6rsm _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.8 -40.8 . . 7 TRP . . . . . . . . . . . . . parsed_6rsm 1 2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.6 -11.6 . . 7 TRP . . . . . . . . . . . . . parsed_6rsm 1 3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.2 -44.2 . . 8 LYS . . . . . . . . . . . . . parsed_6rsm 1 4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.9 -12.9 . . 8 LYS . . . . . . . . . . . . . parsed_6rsm 1 5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.6 -51.6 . . 9 SER . . . . . . . . . . . . . parsed_6rsm 1 6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.2 -2.2 . . 9 SER . . . . . . . . . . . . . parsed_6rsm 1 7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.3 -56.5 . . 10 PHE . . . . . . . . . . . . . parsed_6rsm 1 8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.5 4.0 . . 10 PHE . . . . . . . . . . . . . parsed_6rsm 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 "Restraints file 1: talos-n.aco" 1 1 1 32 parsed_6rsm 1 2 "7 W -60.790 -31.572 5.452 7.580 0.419 0.691 25 15 Strong" 3 1 3 72 parsed_6rsm 1 3 "8 K -64.246 -32.876 6.633 8.456 0.421 0.765 25 15 Strong" 7 1 7 72 parsed_6rsm 1 4 "9 S -71.580 -22.191 9.275 8.391 0.380 0.763 25 15 Strong" 11 1 11 72 parsed_6rsm 1 5 "10 F -81.865 -20.284 12.704 12.129 0.385 0.741 25 15 Strong" 15 1 15 72 parsed_6rsm 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6rsm _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_6rsm 1 2 1 . . . parsed_6rsm 1 3 1 . . . parsed_6rsm 1 4 1 . . . parsed_6rsm 1 5 1 . . . parsed_6rsm 1 6 1 . . . parsed_6rsm 1 7 1 . . . parsed_6rsm 1 8 1 . . . parsed_6rsm 1 9 1 . . . parsed_6rsm 1 10 1 . . . parsed_6rsm 1 11 1 . . . parsed_6rsm 1 12 1 . . . parsed_6rsm 1 13 1 . . . parsed_6rsm 1 14 1 . . . parsed_6rsm 1 15 1 . . . parsed_6rsm 1 16 1 . . . parsed_6rsm 1 17 1 . . . parsed_6rsm 1 18 1 . . . parsed_6rsm 1 19 1 . . . parsed_6rsm 1 20 1 . . . parsed_6rsm 1 21 1 . . . parsed_6rsm 1 22 1 . . . parsed_6rsm 1 23 1 . . . parsed_6rsm 1 24 1 . . . parsed_6rsm 1 25 1 . . . parsed_6rsm 1 26 1 . . . parsed_6rsm 1 27 1 . . . parsed_6rsm 1 28 1 . . . parsed_6rsm 1 29 1 . . . parsed_6rsm 1 30 1 . . . parsed_6rsm 1 31 1 . . . parsed_6rsm 1 32 1 . . . parsed_6rsm 1 33 1 . . . parsed_6rsm 1 34 1 . . . parsed_6rsm 1 35 1 . . . parsed_6rsm 1 36 1 . . . parsed_6rsm 1 37 1 . . . parsed_6rsm 1 38 1 . . . parsed_6rsm 1 39 1 . . . parsed_6rsm 1 40 1 . . . parsed_6rsm 1 41 1 . . . parsed_6rsm 1 42 1 . . . parsed_6rsm 1 43 1 . . . parsed_6rsm 1 44 1 . . . parsed_6rsm 1 45 1 . . . parsed_6rsm 1 46 1 . . . parsed_6rsm 1 47 1 . . . parsed_6rsm 1 48 1 . . . parsed_6rsm 1 49 1 . . . parsed_6rsm 1 50 1 . . . parsed_6rsm 1 51 1 . . . parsed_6rsm 1 52 1 . . . parsed_6rsm 1 53 1 . . . parsed_6rsm 1 54 1 . . . parsed_6rsm 1 55 1 . . . parsed_6rsm 1 56 1 . . . parsed_6rsm 1 57 1 . . . parsed_6rsm 1 58 1 . . . parsed_6rsm 1 59 1 . . . parsed_6rsm 1 60 1 . . . parsed_6rsm 1 61 1 . . . parsed_6rsm 1 62 1 . . . parsed_6rsm 1 63 1 . . . parsed_6rsm 1 64 1 . . . parsed_6rsm 1 65 1 . . . parsed_6rsm 1 66 1 . . . parsed_6rsm 1 67 1 . . . parsed_6rsm 1 68 1 . . . parsed_6rsm 1 69 1 . . . parsed_6rsm 1 70 1 . . . parsed_6rsm 1 71 1 . . . parsed_6rsm 1 72 1 . . . parsed_6rsm 1 73 1 . . . parsed_6rsm 1 74 1 . . . parsed_6rsm 1 75 1 . . . parsed_6rsm 1 76 1 . . . parsed_6rsm 1 77 1 . . . parsed_6rsm 1 78 1 . . . parsed_6rsm 1 79 1 . . . parsed_6rsm 1 80 1 . . . parsed_6rsm 1 81 1 . . . parsed_6rsm 1 82 1 . . . parsed_6rsm 1 83 1 . . . parsed_6rsm 1 84 1 . . . parsed_6rsm 1 85 1 . . . parsed_6rsm 1 86 1 . . . parsed_6rsm 1 87 1 . . . parsed_6rsm 1 88 1 . . . parsed_6rsm 1 89 1 . . . parsed_6rsm 1 90 1 . . . parsed_6rsm 1 91 1 . . . parsed_6rsm 1 92 1 . . . parsed_6rsm 1 93 1 . . . parsed_6rsm 1 94 1 . . . parsed_6rsm 1 95 1 . . . parsed_6rsm 1 96 1 . . . parsed_6rsm 1 97 1 . . . parsed_6rsm 1 98 1 . . . parsed_6rsm 1 99 1 . . . parsed_6rsm 1 100 1 . . . parsed_6rsm 1 101 1 . . . parsed_6rsm 1 102 1 . . . parsed_6rsm 1 103 1 . . . parsed_6rsm 1 104 1 . . . parsed_6rsm 1 105 1 . . . parsed_6rsm 1 106 1 . . . parsed_6rsm 1 107 1 . . . parsed_6rsm 1 108 1 . . . parsed_6rsm 1 109 1 . . . parsed_6rsm 1 110 1 . . . parsed_6rsm 1 111 1 . . . parsed_6rsm 1 112 1 . . . parsed_6rsm 1 113 1 . . . parsed_6rsm 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 LYS QB parsed_6rsm 1 1 1 2 . . . . . . . . . 1 LYS QG parsed_6rsm 1 2 1 1 . . . . . . . . . 1 LYS QB parsed_6rsm 1 2 1 2 . . . . . . . . . 1 LYS QD parsed_6rsm 1 3 1 1 . . . . . . . . . 6 ILE QG2 parsed_6rsm 1 3 1 2 . . . . . . . . . 6 ILE HG13 parsed_6rsm 1 4 1 1 . . . . . . . . . 6 ILE H parsed_6rsm 1 4 1 2 . . . . . . . . . 6 ILE QG2 parsed_6rsm 1 5 1 1 . . . . . . . . . 6 ILE QG2 parsed_6rsm 1 5 1 2 . . . . . . . . . 6 ILE HG12 parsed_6rsm 1 6 1 1 . . . . . . . . . 6 ILE HA parsed_6rsm 1 6 1 2 . . . . . . . . . 6 ILE QG2 parsed_6rsm 1 7 1 1 . . . . . . . . . 6 ILE QG2 parsed_6rsm 1 7 1 2 . . . . . . . . . 9 SER H parsed_6rsm 1 8 1 1 . . . . . . . . . 8 LYS QD parsed_6rsm 1 8 1 2 . . . . . . . . . 9 SER H parsed_6rsm 1 9 1 1 . . . . . . . . . 9 SER H parsed_6rsm 1 9 1 2 . . . . . . . . . 10 PHE H parsed_6rsm 1 10 1 1 . . . . . . . . . 8 LYS QB parsed_6rsm 1 10 1 2 . . . . . . . . . 9 SER H parsed_6rsm 1 11 1 1 . . . . . . . . . 9 SER H parsed_6rsm 1 11 1 2 . . . . . . . . . 9 SER QB parsed_6rsm 1 12 1 1 . . . . . . . . . 8 LYS HA parsed_6rsm 1 12 1 2 . . . . . . . . . 9 SER H parsed_6rsm 1 13 1 1 . . . . . . . . . 8 LYS QG parsed_6rsm 1 13 1 2 . . . . . . . . . 9 SER H parsed_6rsm 1 14 1 1 . . . . . . . . . 5 VAL HA parsed_6rsm 1 14 1 2 . . . . . . . . . 5 VAL QG1 parsed_6rsm 1 15 1 1 . . . . . . . . . 6 ILE HA parsed_6rsm 1 15 1 2 . . . . . . . . . 6 ILE HG13 parsed_6rsm 1 16 1 1 . . . . . . . . . 3 LYS HG3 parsed_6rsm 1 16 1 2 . . . . . . . . . 3 LYS QD parsed_6rsm 1 17 1 1 . . . . . . . . . 3 LYS HB3 parsed_6rsm 1 17 1 2 . . . . . . . . . 3 LYS HG3 parsed_6rsm 1 18 1 1 . . . . . . . . . 1 LYS QB parsed_6rsm 1 18 1 2 . . . . . . . . . 2 PHE H parsed_6rsm 1 19 1 1 . . . . . . . . . 1 LYS HA parsed_6rsm 1 19 1 2 . . . . . . . . . 2 PHE H parsed_6rsm 1 20 1 1 . . . . . . . . . 2 PHE H parsed_6rsm 1 20 1 2 . . . . . . . . . 2 PHE HB2 parsed_6rsm 1 21 1 1 . . . . . . . . . 2 PHE H parsed_6rsm 1 21 1 2 . . . . . . . . . 2 PHE QD parsed_6rsm 1 22 1 1 . . . . . . . . . 11 LEU HA parsed_6rsm 1 22 1 2 . . . . . . . . . 11 LEU QD1 parsed_6rsm 1 23 1 1 . . . . . . . . . 11 LEU HB3 parsed_6rsm 1 23 1 2 . . . . . . . . . 11 LEU QD1 parsed_6rsm 1 24 1 1 . . . . . . . . . 5 VAL H parsed_6rsm 1 24 1 2 . . . . . . . . . 5 VAL QG1 parsed_6rsm 1 25 1 1 . . . . . . . . . 4 LYS HG2 parsed_6rsm 1 25 1 2 . . . . . . . . . 5 VAL H parsed_6rsm 1 26 1 1 . . . . . . . . . 5 VAL H parsed_6rsm 1 26 1 2 . . . . . . . . . 5 VAL HB parsed_6rsm 1 27 1 1 . . . . . . . . . 4 LYS HG3 parsed_6rsm 1 27 1 2 . . . . . . . . . 5 VAL H parsed_6rsm 1 28 1 1 . . . . . . . . . 4 LYS QB parsed_6rsm 1 28 1 2 . . . . . . . . . 5 VAL H parsed_6rsm 1 29 1 1 . . . . . . . . . 4 LYS HA parsed_6rsm 1 29 1 2 . . . . . . . . . 5 VAL H parsed_6rsm 1 30 1 1 . . . . . . . . . 5 VAL H parsed_6rsm 1 30 1 2 . . . . . . . . . 5 VAL QG2 parsed_6rsm 1 31 1 1 . . . . . . . . . 10 PHE H parsed_6rsm 1 31 1 2 . . . . . . . . . 11 LEU H parsed_6rsm 1 32 1 1 . . . . . . . . . 9 SER QB parsed_6rsm 1 32 1 2 . . . . . . . . . 10 PHE H parsed_6rsm 1 33 1 1 . . . . . . . . . 10 PHE H parsed_6rsm 1 33 1 2 . . . . . . . . . 10 PHE QB parsed_6rsm 1 34 1 1 . . . . . . . . . 9 SER HA parsed_6rsm 1 34 1 2 . . . . . . . . . 10 PHE H parsed_6rsm 1 35 1 1 . . . . . . . . . 8 LYS QB parsed_6rsm 1 35 1 2 . . . . . . . . . 8 LYS QZ parsed_6rsm 1 36 1 1 . . . . . . . . . 5 VAL QG1 parsed_6rsm 1 36 1 2 . . . . . . . . . 6 ILE H parsed_6rsm 1 37 1 1 . . . . . . . . . 6 ILE H parsed_6rsm 1 37 1 2 . . . . . . . . . 6 ILE HG13 parsed_6rsm 1 38 1 1 . . . . . . . . . 5 VAL HB parsed_6rsm 1 38 1 2 . . . . . . . . . 6 ILE H parsed_6rsm 1 39 1 1 . . . . . . . . . 5 VAL HA parsed_6rsm 1 39 1 2 . . . . . . . . . 6 ILE H parsed_6rsm 1 40 1 1 . . . . . . . . . 6 ILE H parsed_6rsm 1 40 1 2 . . . . . . . . . 6 ILE HG12 parsed_6rsm 1 41 1 1 . . . . . . . . . 6 ILE H parsed_6rsm 1 41 1 2 . . . . . . . . . 6 ILE HB parsed_6rsm 1 42 1 1 . . . . . . . . . 6 ILE H parsed_6rsm 1 42 1 2 . . . . . . . . . 6 ILE QD1 parsed_6rsm 1 43 1 1 . . . . . . . . . 5 VAL QG2 parsed_6rsm 1 43 1 2 . . . . . . . . . 6 ILE H parsed_6rsm 1 44 1 1 . . . . . . . . . 10 PHE H parsed_6rsm 1 44 1 2 . . . . . . . . . 10 PHE QD parsed_6rsm 1 45 1 1 . . . . . . . . . 10 PHE HA parsed_6rsm 1 45 1 2 . . . . . . . . . 10 PHE QD parsed_6rsm 1 46 1 1 . . . . . . . . . 4 LYS HG2 parsed_6rsm 1 46 1 2 . . . . . . . . . 4 LYS QZ parsed_6rsm 1 47 1 1 . . . . . . . . . 4 LYS HG3 parsed_6rsm 1 47 1 2 . . . . . . . . . 4 LYS QZ parsed_6rsm 1 48 1 1 . . . . . . . . . 4 LYS QB parsed_6rsm 1 48 1 2 . . . . . . . . . 4 LYS QZ parsed_6rsm 1 49 1 1 . . . . . . . . . 7 TRP QB parsed_6rsm 1 49 1 2 . . . . . . . . . 7 TRP HE3 parsed_6rsm 1 50 1 1 . . . . . . . . . 11 LEU H parsed_6rsm 1 50 1 2 . . . . . . . . . 11 LEU QD1 parsed_6rsm 1 51 1 1 . . . . . . . . . 10 PHE QB parsed_6rsm 1 51 1 2 . . . . . . . . . 11 LEU H parsed_6rsm 1 52 1 1 . . . . . . . . . 11 LEU H parsed_6rsm 1 52 1 2 . . . . . . . . . 11 LEU HB2 parsed_6rsm 1 53 1 1 . . . . . . . . . 8 LYS QB parsed_6rsm 1 53 1 2 . . . . . . . . . 8 LYS QE parsed_6rsm 1 54 1 1 . . . . . . . . . 8 LYS QG parsed_6rsm 1 54 1 2 . . . . . . . . . 8 LYS QE parsed_6rsm 1 55 1 1 . . . . . . . . . 4 LYS HG3 parsed_6rsm 1 55 1 2 . . . . . . . . . 4 LYS QD parsed_6rsm 1 56 1 1 . . . . . . . . . 4 LYS QD parsed_6rsm 1 56 1 2 . . . . . . . . . 4 LYS QZ parsed_6rsm 1 57 1 1 . . . . . . . . . 4 LYS HA parsed_6rsm 1 57 1 2 . . . . . . . . . 4 LYS QD parsed_6rsm 1 58 1 1 . . . . . . . . . 4 LYS QD parsed_6rsm 1 58 1 2 . . . . . . . . . 4 LYS QE parsed_6rsm 1 59 1 1 . . . . . . . . . 2 PHE HB2 parsed_6rsm 1 59 1 2 . . . . . . . . . 3 LYS H parsed_6rsm 1 60 1 1 . . . . . . . . . 4 LYS H parsed_6rsm 1 60 1 2 . . . . . . . . . 4 LYS HG2 parsed_6rsm 1 61 1 1 . . . . . . . . . 4 LYS H parsed_6rsm 1 61 1 2 . . . . . . . . . 4 LYS HG3 parsed_6rsm 1 62 1 1 . . . . . . . . . 4 LYS H parsed_6rsm 1 62 1 2 . . . . . . . . . 4 LYS QZ parsed_6rsm 1 63 1 1 . . . . . . . . . 4 LYS H parsed_6rsm 1 63 1 2 . . . . . . . . . 4 LYS QB parsed_6rsm 1 64 1 1 . . . . . . . . . 3 LYS HA parsed_6rsm 1 64 1 2 . . . . . . . . . 4 LYS H parsed_6rsm 1 65 1 1 . . . . . . . . . 4 LYS H parsed_6rsm 1 65 1 2 . . . . . . . . . 4 LYS QD parsed_6rsm 1 66 1 1 . . . . . . . . . 2 PHE HA parsed_6rsm 1 66 1 2 . . . . . . . . . 2 PHE QD parsed_6rsm 1 67 1 1 . . . . . . . . . 7 TRP HH2 parsed_6rsm 1 67 1 2 . . . . . . . . . 11 LEU HA parsed_6rsm 1 68 1 1 . . . . . . . . . 1 LYS HA parsed_6rsm 1 68 1 2 . . . . . . . . . 1 LYS QD parsed_6rsm 1 69 1 1 . . . . . . . . . 3 LYS HA parsed_6rsm 1 69 1 2 . . . . . . . . . 3 LYS QE parsed_6rsm 1 70 1 1 . . . . . . . . . 3 LYS HB3 parsed_6rsm 1 70 1 2 . . . . . . . . . 3 LYS QE parsed_6rsm 1 71 1 1 . . . . . . . . . 10 PHE QE parsed_6rsm 1 71 1 2 . . . . . . . . . 10 PHE HZ parsed_6rsm 1 72 1 1 . . . . . . . . . 10 PHE H parsed_6rsm 1 72 1 2 . . . . . . . . . 10 PHE QE parsed_6rsm 1 73 1 1 . . . . . . . . . 4 LYS HG2 parsed_6rsm 1 73 1 2 . . . . . . . . . 4 LYS QE parsed_6rsm 1 74 1 1 . . . . . . . . . 4 LYS HG3 parsed_6rsm 1 74 1 2 . . . . . . . . . 4 LYS QE parsed_6rsm 1 75 1 1 . . . . . . . . . 4 LYS QB parsed_6rsm 1 75 1 2 . . . . . . . . . 4 LYS QE parsed_6rsm 1 76 1 1 . . . . . . . . . 4 LYS H parsed_6rsm 1 76 1 2 . . . . . . . . . 4 LYS QE parsed_6rsm 1 77 1 1 . . . . . . . . . 8 LYS HA parsed_6rsm 1 77 1 2 . . . . . . . . . 8 LYS QZ parsed_6rsm 1 78 1 1 . . . . . . . . . 11 LEU HB2 parsed_6rsm 1 78 1 2 . . . . . . . . . 11 LEU QD1 parsed_6rsm 1 79 1 1 . . . . . . . . . 11 LEU HB2 parsed_6rsm 1 79 1 2 . . . . . . . . . 11 LEU QD2 parsed_6rsm 1 80 1 1 . . . . . . . . . 8 LYS H parsed_6rsm 1 80 1 2 . . . . . . . . . 8 LYS QD parsed_6rsm 1 81 1 1 . . . . . . . . . 8 LYS H parsed_6rsm 1 81 1 2 . . . . . . . . . 8 LYS QB parsed_6rsm 1 82 1 1 . . . . . . . . . 7 TRP QB parsed_6rsm 1 82 1 2 . . . . . . . . . 8 LYS H parsed_6rsm 1 83 1 1 . . . . . . . . . 8 LYS H parsed_6rsm 1 83 1 2 . . . . . . . . . 8 LYS QZ parsed_6rsm 1 84 1 1 . . . . . . . . . 8 LYS H parsed_6rsm 1 84 1 2 . . . . . . . . . 8 LYS QG parsed_6rsm 1 85 1 1 . . . . . . . . . 7 TRP HA parsed_6rsm 1 85 1 2 . . . . . . . . . 8 LYS H parsed_6rsm 1 86 1 1 . . . . . . . . . 1 LYS QB parsed_6rsm 1 86 1 2 . . . . . . . . . 1 LYS QE parsed_6rsm 1 87 1 1 . . . . . . . . . 1 LYS HA parsed_6rsm 1 87 1 2 . . . . . . . . . 1 LYS QE parsed_6rsm 1 88 1 1 . . . . . . . . . 3 LYS H parsed_6rsm 1 88 1 2 . . . . . . . . . 3 LYS HG3 parsed_6rsm 1 89 1 1 . . . . . . . . . 3 LYS H parsed_6rsm 1 89 1 2 . . . . . . . . . 3 LYS HG2 parsed_6rsm 1 90 1 1 . . . . . . . . . 2 PHE HB3 parsed_6rsm 1 90 1 2 . . . . . . . . . 3 LYS H parsed_6rsm 1 91 1 1 . . . . . . . . . 3 LYS H parsed_6rsm 1 91 1 2 . . . . . . . . . 3 LYS QD parsed_6rsm 1 92 1 1 . . . . . . . . . 3 LYS H parsed_6rsm 1 92 1 2 . . . . . . . . . 4 LYS H parsed_6rsm 1 93 1 1 . . . . . . . . . 3 LYS H parsed_6rsm 1 93 1 2 . . . . . . . . . 3 LYS QE parsed_6rsm 1 94 1 1 . . . . . . . . . 2 PHE HA parsed_6rsm 1 94 1 2 . . . . . . . . . 3 LYS H parsed_6rsm 1 95 1 1 . . . . . . . . . 3 LYS H parsed_6rsm 1 95 1 2 . . . . . . . . . 3 LYS HB3 parsed_6rsm 1 96 1 1 . . . . . . . . . 3 LYS H parsed_6rsm 1 96 1 2 . . . . . . . . . 3 LYS HB2 parsed_6rsm 1 97 1 1 . . . . . . . . . 6 ILE HA parsed_6rsm 1 97 1 2 . . . . . . . . . 6 ILE QD1 parsed_6rsm 1 98 1 1 . . . . . . . . . 6 ILE HB parsed_6rsm 1 98 1 2 . . . . . . . . . 6 ILE QD1 parsed_6rsm 1 99 1 1 . . . . . . . . . 5 VAL HA parsed_6rsm 1 99 1 2 . . . . . . . . . 5 VAL QG2 parsed_6rsm 1 100 1 1 . . . . . . . . . 8 LYS HA parsed_6rsm 1 100 1 2 . . . . . . . . . 8 LYS QG parsed_6rsm 1 101 1 1 . . . . . . . . . 11 LEU H parsed_6rsm 1 101 1 2 . . . . . . . . . 11 LEU HB3 parsed_6rsm 1 102 1 1 . . . . . . . . . 3 LYS HB2 parsed_6rsm 1 102 1 2 . . . . . . . . . 3 LYS QE parsed_6rsm 1 103 1 1 . . . . . . . . . 11 LEU HA parsed_6rsm 1 103 1 2 . . . . . . . . . 11 LEU QD2 parsed_6rsm 1 104 1 1 . . . . . . . . . 11 LEU H parsed_6rsm 1 104 1 2 . . . . . . . . . 11 LEU QD2 parsed_6rsm 1 105 1 1 . . . . . . . . . 11 LEU HB3 parsed_6rsm 1 105 1 2 . . . . . . . . . 11 LEU QD2 parsed_6rsm 1 106 1 1 . . . . . . . . . 7 TRP QB parsed_6rsm 1 106 1 2 . . . . . . . . . 7 TRP HD1 parsed_6rsm 1 107 1 1 . . . . . . . . . 11 LEU HA parsed_6rsm 1 107 1 2 . . . . . . . . . 11 LEU HG parsed_6rsm 1 108 1 1 . . . . . . . . . 11 LEU H parsed_6rsm 1 108 1 2 . . . . . . . . . 11 LEU HG parsed_6rsm 1 109 1 1 . . . . . . . . . 6 ILE QG2 parsed_6rsm 1 109 1 2 . . . . . . . . . 7 TRP H parsed_6rsm 1 110 1 1 . . . . . . . . . 6 ILE H parsed_6rsm 1 110 1 2 . . . . . . . . . 7 TRP H parsed_6rsm 1 111 1 1 . . . . . . . . . 7 TRP H parsed_6rsm 1 111 1 2 . . . . . . . . . 7 TRP QB parsed_6rsm 1 112 1 1 . . . . . . . . . 6 ILE HA parsed_6rsm 1 112 1 2 . . . . . . . . . 7 TRP H parsed_6rsm 1 113 1 1 . . . . . . . . . 6 ILE HB parsed_6rsm 1 113 1 2 . . . . . . . . . 7 TRP H parsed_6rsm 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 . . . . . . . 2.73 parsed_6rsm 1 2 1 . . . . . . . 3.60 parsed_6rsm 1 3 1 . . . . . . . 3.14 parsed_6rsm 1 4 1 . . . . . . . 3.89 parsed_6rsm 1 5 1 . . . . . . . 3.31 parsed_6rsm 1 6 1 . . . . . . . 3.16 parsed_6rsm 1 7 1 . . . . . . . 3.63 parsed_6rsm 1 8 1 . . . . . . . 4.04 parsed_6rsm 1 9 1 . . . . . . . 3.19 parsed_6rsm 1 10 1 . . . . . . . 3.97 parsed_6rsm 1 11 1 . . . . . . . 3.38 parsed_6rsm 1 12 1 . . . . . . . 3.48 parsed_6rsm 1 13 1 . . . . . . . 4.33 parsed_6rsm 1 14 1 . . . . . . . 3.24 parsed_6rsm 1 15 1 . . . . . . . 4.16 parsed_6rsm 1 16 1 . . . . . . . 2.65 parsed_6rsm 1 17 1 . . . . . . . 2.71 parsed_6rsm 1 18 1 . . . . . . . 4.26 parsed_6rsm 1 19 1 . . . . . . . 3.53 parsed_6rsm 1 20 1 . . . . . . . 3.94 parsed_6rsm 1 21 1 . . . . . . . 4.96 parsed_6rsm 1 22 1 . . . . . . . 4.54 parsed_6rsm 1 23 1 . . . . . . . 3.16 parsed_6rsm 1 24 1 . . . . . . . 3.21 parsed_6rsm 1 25 1 . . . . . . . 4.78 parsed_6rsm 1 26 1 . . . . . . . 3.24 parsed_6rsm 1 27 1 . . . . . . . 4.54 parsed_6rsm 1 28 1 . . . . . . . 3.83 parsed_6rsm 1 29 1 . . . . . . . 2.90 parsed_6rsm 1 30 1 . . . . . . . 3.85 parsed_6rsm 1 31 1 . . . . . . . 3.25 parsed_6rsm 1 32 1 . . . . . . . 3.97 parsed_6rsm 1 33 1 . . . . . . . 3.13 parsed_6rsm 1 34 1 . . . . . . . 3.50 parsed_6rsm 1 35 1 . . . . . . . 4.35 parsed_6rsm 1 36 1 . . . . . . . 3.33 parsed_6rsm 1 37 1 . . . . . . . 3.75 parsed_6rsm 1 38 1 . . . . . . . 4.23 parsed_6rsm 1 39 1 . . . . . . . 2.93 parsed_6rsm 1 40 1 . . . . . . . 3.74 parsed_6rsm 1 41 1 . . . . . . . 3.33 parsed_6rsm 1 42 1 . . . . . . . 4.06 parsed_6rsm 1 43 1 . . . . . . . 3.73 parsed_6rsm 1 44 1 . . . . . . . 5.38 parsed_6rsm 1 45 1 . . . . . . . 3.99 parsed_6rsm 1 46 1 . . . . . . . 5.50 parsed_6rsm 1 47 1 . . . . . . . 5.50 parsed_6rsm 1 48 1 . . . . . . . 5.50 parsed_6rsm 1 49 1 . . . . . . . 3.97 parsed_6rsm 1 50 1 . . . . . . . 4.69 parsed_6rsm 1 51 1 . . . . . . . 3.96 parsed_6rsm 1 52 1 . . . . . . . 3.24 parsed_6rsm 1 53 1 . . . . . . . 4.67 parsed_6rsm 1 54 1 . . . . . . . 3.58 parsed_6rsm 1 55 1 . . . . . . . 2.61 parsed_6rsm 1 56 1 . . . . . . . 4.08 parsed_6rsm 1 57 1 . . . . . . . 4.37 parsed_6rsm 1 58 1 . . . . . . . 2.95 parsed_6rsm 1 59 1 . . . . . . . 4.40 parsed_6rsm 1 60 1 . . . . . . . 4.10 parsed_6rsm 1 61 1 . . . . . . . 3.91 parsed_6rsm 1 62 1 . . . . . . . 5.50 parsed_6rsm 1 63 1 . . . . . . . 3.09 parsed_6rsm 1 64 1 . . . . . . . 2.92 parsed_6rsm 1 65 1 . . . . . . . 4.03 parsed_6rsm 1 66 1 . . . . . . . 3.50 parsed_6rsm 1 67 1 . . . . . . . 3.92 parsed_6rsm 1 68 1 . . . . . . . 3.93 parsed_6rsm 1 69 1 . . . . . . . 5.50 parsed_6rsm 1 70 1 . . . . . . . 5.18 parsed_6rsm 1 71 1 . . . . . . . 2.40 parsed_6rsm 1 72 1 . . . . . . . 4.69 parsed_6rsm 1 73 1 . . . . . . . 3.99 parsed_6rsm 1 74 1 . . . . . . . 3.97 parsed_6rsm 1 75 1 . . . . . . . 4.40 parsed_6rsm 1 76 1 . . . . . . . 5.50 parsed_6rsm 1 77 1 . . . . . . . 5.34 parsed_6rsm 1 78 1 . . . . . . . 3.47 parsed_6rsm 1 79 1 . . . . . . . 3.68 parsed_6rsm 1 80 1 . . . . . . . 3.32 parsed_6rsm 1 81 1 . . . . . . . 3.64 parsed_6rsm 1 82 1 . . . . . . . 3.58 parsed_6rsm 1 83 1 . . . . . . . 5.17 parsed_6rsm 1 84 1 . . . . . . . 3.58 parsed_6rsm 1 85 1 . . . . . . . 3.54 parsed_6rsm 1 86 1 . . . . . . . 5.50 parsed_6rsm 1 87 1 . . . . . . . 5.42 parsed_6rsm 1 88 1 . . . . . . . 3.95 parsed_6rsm 1 89 1 . . . . . . . 4.28 parsed_6rsm 1 90 1 . . . . . . . 3.87 parsed_6rsm 1 91 1 . . . . . . . 4.00 parsed_6rsm 1 92 1 . . . . . . . 3.76 parsed_6rsm 1 93 1 . . . . . . . 3.56 parsed_6rsm 1 94 1 . . . . . . . 2.98 parsed_6rsm 1 95 1 . . . . . . . 3.74 parsed_6rsm 1 96 1 . . . . . . . 3.93 parsed_6rsm 1 97 1 . . . . . . . 3.75 parsed_6rsm 1 98 1 . . . . . . . 3.52 parsed_6rsm 1 99 1 . . . . . . . 3.35 parsed_6rsm 1 100 1 . . . . . . . 3.84 parsed_6rsm 1 101 1 . . . . . . . 3.75 parsed_6rsm 1 102 1 . . . . . . . 5.50 parsed_6rsm 1 103 1 . . . . . . . 3.08 parsed_6rsm 1 104 1 . . . . . . . 4.27 parsed_6rsm 1 105 1 . . . . . . . 2.89 parsed_6rsm 1 106 1 . . . . . . . 3.17 parsed_6rsm 1 107 1 . . . . . . . 4.00 parsed_6rsm 1 108 1 . . . . . . . 3.89 parsed_6rsm 1 109 1 . . . . . . . 3.70 parsed_6rsm 1 110 1 . . . . . . . 3.67 parsed_6rsm 1 111 1 . . . . . . . 3.13 parsed_6rsm 1 112 1 . . . . . . . 2.94 parsed_6rsm 1 113 1 . . . . . . . 3.81 parsed_6rsm 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 "Restraints file 2: pep12530.upl" 1 1 1 33 parsed_6rsm 1 2 "peak 4 #plist 1" 2 39 2 54 parsed_6rsm 1 3 "peak 5 #plist 1" 3 39 3 54 parsed_6rsm 1 4 "peak 9 #plist 1" 4 39 4 54 parsed_6rsm 1 5 "peak 10 #plist 1" 5 39 5 55 parsed_6rsm 1 6 "peak 11 #plist 1" 6 39 6 55 parsed_6rsm 1 7 "peak 12 #plist 1" 7 39 7 55 parsed_6rsm 1 8 "peak 16 #plist 1" 8 39 8 55 parsed_6rsm 1 9 "peak 18 #plist 1" 9 39 9 55 parsed_6rsm 1 10 "peak 19 #plist 1" 10 39 10 55 parsed_6rsm 1 11 "peak 20 #plist 1" 11 39 11 55 parsed_6rsm 1 12 "peak 21 #plist 1" 12 39 12 55 parsed_6rsm 1 13 "peak 22 #plist 1" 13 39 13 55 parsed_6rsm 1 14 "peak 24 #plist 1" 14 39 14 55 parsed_6rsm 1 15 "peak 35 #plist 1" 15 39 15 55 parsed_6rsm 1 16 "peak 49 #plist 1" 16 39 16 55 parsed_6rsm 1 17 "peak 55 #plist 1" 17 39 17 55 parsed_6rsm 1 18 "peak 58 #plist 1" 18 39 18 55 parsed_6rsm 1 19 "peak 61 #plist 1" 19 39 19 55 parsed_6rsm 1 20 "peak 63 #plist 1" 20 39 20 55 parsed_6rsm 1 21 "peak 66 #plist 1" 21 39 21 55 parsed_6rsm 1 22 "peak 67 #plist 1" 22 39 22 55 parsed_6rsm 1 23 "peak 71 #plist 1" 23 39 23 55 parsed_6rsm 1 24 "peak 74 #plist 1" 24 39 24 55 parsed_6rsm 1 25 "peak 94 #plist 1" 25 39 25 55 parsed_6rsm 1 26 "peak 95 #plist 1" 26 39 26 55 parsed_6rsm 1 27 "peak 97 #plist 1" 27 39 27 55 parsed_6rsm 1 28 "peak 98 #plist 1" 28 39 28 55 parsed_6rsm 1 29 "peak 99 #plist 1" 29 39 29 55 parsed_6rsm 1 30 "peak 101 #plist 1" 30 39 30 56 parsed_6rsm 1 31 "peak 102 #plist 1" 31 39 31 56 parsed_6rsm 1 32 "peak 107 #plist 1" 32 39 32 56 parsed_6rsm 1 33 "peak 108 #plist 1" 33 39 33 56 parsed_6rsm 1 34 "peak 109 #plist 1" 34 39 34 56 parsed_6rsm 1 35 "peak 111 #plist 1" 35 39 35 56 parsed_6rsm 1 36 "peak 146 #plist 1" 36 39 36 56 parsed_6rsm 1 37 "peak 159 #plist 1" 37 39 37 56 parsed_6rsm 1 38 "peak 160 #plist 1" 38 39 38 56 parsed_6rsm 1 39 "peak 161 #plist 1" 39 39 39 56 parsed_6rsm 1 40 "peak 163 #plist 1" 40 39 40 56 parsed_6rsm 1 41 "peak 164 #plist 1" 41 39 41 56 parsed_6rsm 1 42 "peak 166 #plist 1" 42 39 42 56 parsed_6rsm 1 43 "peak 167 #plist 1" 43 39 43 56 parsed_6rsm 1 44 "peak 168 #plist 1" 44 39 44 56 parsed_6rsm 1 45 "peak 171 #plist 1" 45 39 45 56 parsed_6rsm 1 46 "peak 175 #plist 1" 46 39 46 56 parsed_6rsm 1 47 "peak 202 #plist 1" 47 39 47 56 parsed_6rsm 1 48 "peak 203 #plist 1" 48 39 48 56 parsed_6rsm 1 49 "peak 213 #plist 1" 49 39 49 56 parsed_6rsm 1 50 "peak 220 #plist 1" 50 39 50 56 parsed_6rsm 1 51 "peak 240 #plist 1" 51 39 51 56 parsed_6rsm 1 52 "peak 244 #plist 1" 52 39 52 56 parsed_6rsm 1 53 "peak 245 #plist 1" 53 39 53 56 parsed_6rsm 1 54 "peak 262 #plist 1" 54 39 54 56 parsed_6rsm 1 55 "peak 267 #plist 1" 55 39 55 56 parsed_6rsm 1 56 "peak 285 #plist 1" 56 39 56 56 parsed_6rsm 1 57 "peak 286 #plist 1" 57 39 57 56 parsed_6rsm 1 58 "peak 289 #plist 1" 58 39 58 56 parsed_6rsm 1 59 "peak 291 #plist 1" 59 39 59 56 parsed_6rsm 1 60 "peak 299 #plist 1" 60 39 60 56 parsed_6rsm 1 61 "peak 322 #plist 1" 61 39 61 56 parsed_6rsm 1 62 "peak 323 #plist 1" 62 39 62 56 parsed_6rsm 1 63 "peak 324 #plist 1" 63 39 63 56 parsed_6rsm 1 64 "peak 325 #plist 1" 64 39 64 56 parsed_6rsm 1 65 "peak 326 #plist 1" 65 39 65 56 parsed_6rsm 1 66 "peak 327 #plist 1" 66 39 66 56 parsed_6rsm 1 67 "peak 337 #plist 1" 67 39 67 56 parsed_6rsm 1 68 "peak 339 #plist 1" 68 39 68 56 parsed_6rsm 1 69 "peak 358 #plist 1" 69 39 69 56 parsed_6rsm 1 70 "peak 380 #plist 1" 70 39 70 56 parsed_6rsm 1 71 "peak 384 #plist 1" 71 39 71 56 parsed_6rsm 1 72 "peak 394 #plist 1" 72 39 72 56 parsed_6rsm 1 73 "peak 395 #plist 1" 73 39 73 56 parsed_6rsm 1 74 "peak 400 #plist 1" 74 39 74 56 parsed_6rsm 1 75 "peak 401 #plist 1" 75 39 75 56 parsed_6rsm 1 76 "peak 403 #plist 1" 76 39 76 56 parsed_6rsm 1 77 "peak 406 #plist 1" 77 39 77 56 parsed_6rsm 1 78 "peak 428 #plist 1" 78 39 78 56 parsed_6rsm 1 79 "peak 452 #plist 1" 79 39 79 56 parsed_6rsm 1 80 "peak 457 #plist 1" 80 39 80 56 parsed_6rsm 1 81 "peak 459 #plist 1" 81 39 81 56 parsed_6rsm 1 82 "peak 460 #plist 1" 82 39 82 56 parsed_6rsm 1 83 "peak 461 #plist 1" 83 39 83 56 parsed_6rsm 1 84 "peak 464 #plist 1" 84 39 84 56 parsed_6rsm 1 85 "peak 466 #plist 1" 85 39 85 56 parsed_6rsm 1 86 "peak 467 #plist 1" 86 39 86 56 parsed_6rsm 1 87 "peak 468 #plist 1" 87 39 87 56 parsed_6rsm 1 88 "peak 469 #plist 1" 88 39 88 56 parsed_6rsm 1 89 "peak 473 #plist 1" 89 39 89 56 parsed_6rsm 1 90 "peak 474 #plist 1" 90 39 90 56 parsed_6rsm 1 91 "peak 475 #plist 1" 91 39 91 56 parsed_6rsm 1 92 "peak 477 #plist 1" 92 39 92 56 parsed_6rsm 1 93 "peak 480 #plist 1" 93 39 93 56 parsed_6rsm 1 94 "peak 481 #plist 1" 94 39 94 56 parsed_6rsm 1 95 "peak 482 #plist 1" 95 39 95 56 parsed_6rsm 1 96 "peak 483 #plist 1" 96 39 96 56 parsed_6rsm 1 97 "peak 485 #plist 1" 97 39 97 56 parsed_6rsm 1 98 "peak 490 #plist 1" 98 39 98 56 parsed_6rsm 1 99 "peak 491 #plist 1" 99 39 99 56 parsed_6rsm 1 100 "peak 513 #plist 1" 100 39 100 56 parsed_6rsm 1 101 "peak 519 #plist 1" 101 39 101 56 parsed_6rsm 1 102 "peak 525 #plist 1" 102 39 102 56 parsed_6rsm 1 103 "peak 535 #plist 1" 103 39 103 56 parsed_6rsm 1 104 "peak 550 #plist 1" 104 39 104 56 parsed_6rsm 1 105 "peak 551 #plist 1" 105 39 105 56 parsed_6rsm 1 106 "peak 553 #plist 1" 106 39 106 56 parsed_6rsm 1 107 "peak 558 #plist 1" 107 39 107 56 parsed_6rsm 1 108 "peak 566 #plist 1" 108 39 108 56 parsed_6rsm 1 109 "peak 567 #plist 1" 109 39 109 56 parsed_6rsm 1 110 "peak 572 #plist 1" 110 39 110 56 parsed_6rsm 1 111 "peak 574 #plist 1" 111 39 111 56 parsed_6rsm 1 112 "peak 576 #plist 1" 112 39 112 56 parsed_6rsm 1 113 "peak 578 #plist 1" 113 39 113 56 parsed_6rsm 1 114 "peak 579 #plist 1" 114 39 114 56 parsed_6rsm 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6rsm _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_6rsm 2 2 1 . . . parsed_6rsm 2 3 1 . . . parsed_6rsm 2 4 1 . . . parsed_6rsm 2 5 1 . . . parsed_6rsm 2 6 1 . . . parsed_6rsm 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 . . . . . . . . . 7 TRP O parsed_6rsm 2 1 1 2 . . . . . . . . . 11 LEU H parsed_6rsm 2 2 1 1 . . . . . . . . . 7 TRP C parsed_6rsm 2 2 1 2 . . . . . . . . . 11 LEU H parsed_6rsm 2 3 1 1 . . . . . . . . . 7 TRP O parsed_6rsm 2 3 1 2 . . . . . . . . . 11 LEU N parsed_6rsm 2 4 1 1 . . . . . . . . . 7 TRP O parsed_6rsm 2 4 1 2 . . . . . . . . . 11 LEU H parsed_6rsm 2 5 1 1 . . . . . . . . . 7 TRP C parsed_6rsm 2 5 1 2 . . . . . . . . . 11 LEU H parsed_6rsm 2 6 1 1 . . . . . . . . . 7 TRP O parsed_6rsm 2 6 1 2 . . . . . . . . . 11 LEU N parsed_6rsm 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 . . . . . . . 1.70 parsed_6rsm 2 2 1 . . . . . . . 2.60 parsed_6rsm 2 3 1 . . . . . . . 2.60 parsed_6rsm 2 4 1 . . . . . . . 2.20 parsed_6rsm 2 5 1 . . . . . . . 3.30 parsed_6rsm 2 6 1 . . . . . . . 3.30 parsed_6rsm 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 "Restraints file 3: hbond.lol" 1 1 1 30 parsed_6rsm 2 2 "Restraints file 4: hbond.upl" 5 1 5 30 parsed_6rsm 2 stop_ save_ save_DYANA/DIANA_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6rsm _Torsion_angle_constraint_list.ID 2 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.8 -40.8 . . 7 TRP . . . . . . . . . . . . . parsed_6rsm 2 2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.6 -11.6 . . 7 TRP . . . . . . . . . . . . . parsed_6rsm 2 3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.2 -44.2 . . 8 LYS . . . . . . . . . . . . . parsed_6rsm 2 4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.9 -12.9 . . 8 LYS . . . . . . . . . . . . . parsed_6rsm 2 5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.6 -51.6 . . 9 SER . . . . . . . . . . . . . parsed_6rsm 2 6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.2 -2.2 . . 9 SER . . . . . . . . . . . . . parsed_6rsm 2 7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.3 -56.5 . . 10 PHE . . . . . . . . . . . . . parsed_6rsm 2 8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.5 4.0 . . 10 PHE . . . . . . . . . . . . . parsed_6rsm 2 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 "Restraints file 5: talos-n_1yUx8SW.aco" 1 1 1 40 parsed_6rsm 2 2 "7 W -60.790 -31.572 5.452 7.580 0.419 0.691 25 15 Strong" 3 1 3 72 parsed_6rsm 2 3 "8 K -64.246 -32.876 6.633 8.456 0.421 0.765 25 15 Strong" 7 1 7 72 parsed_6rsm 2 4 "9 S -71.580 -22.191 9.275 8.391 0.380 0.763 25 15 Strong" 11 1 11 72 parsed_6rsm 2 5 "10 F -81.865 -20.284 12.704 12.129 0.385 0.741 25 15 Strong" 15 1 15 72 parsed_6rsm 2 stop_ save_
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