NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
568107 | 2m6e | 19130 | cing | 2-parsed | STAR | entry | full | 61 |
data_2m6e_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2m6e _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_2m6e 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2m6e _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 2m6e "Master copy" parsed_2m6e stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2m6e _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 2m6e.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m6e 1 1 2m6e.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 7 parsed_2m6e 1 1 2m6e.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 2 parsed_2m6e 1 1 2m6e.mr . . DYANA/DIANA 4 distance "general distance" simple 4 parsed_2m6e 1 1 2m6e.mr . . DYANA/DIANA 5 distance NOE simple 48 parsed_2m6e 1 1 2m6e.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m6e 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_2m6e _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 TOXIN 29-MAR-13 2M6E *TITLE NMR SOLUTION STRUCTURE OF CIS (MINOR) FORM OF IN936 IN METHANOL *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CONTRYPHAN-IN; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: CONUS INSCRIPTUS; *SOURCE 4 ORGANISM_COMMON: ENGRAVED CONE; *SOURCE 5 ORGANISM_TAXID: 257329 *KEYWDS CIS IN936, METHANOL, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR R.SONTI *REVDAT 1 30-OCT-13 2M6E 0 ; save_ save_DYANA/DIANA_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2m6e _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 2 CYSS . . . . . . . . . . . . . parsed_2m6e 1 2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 160.0 . . 4 DLE . . . . . . . . . . . . . parsed_2m6e 1 3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 TYR . . . . . . . . . . . . . parsed_2m6e 1 4 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 5 TYR . . . . . . . . . . . . . parsed_2m6e 1 5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 7 TRP . . . . . . . . . . . . . parsed_2m6e 1 6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 8 CYSS . . . . . . . . . . . . . parsed_2m6e 1 7 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 8 CYSS . . . . . . . . . . . . . parsed_2m6e 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2m6e _Distance_constraint_list.ID 1 _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_2m6e 1 2 1 . . . parsed_2m6e 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 . . . . . . . . . 2 CYSS O parsed_2m6e 1 1 1 2 . . . . . . . . . 5 TYR H parsed_2m6e 1 2 1 1 . . . . . . . . . 2 CYSS O parsed_2m6e 1 2 1 2 . . . . . . . . . 5 TYR N parsed_2m6e 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 . . . . . . . 2.20 parsed_2m6e 1 2 1 . . . . . . . 3.20 parsed_2m6e 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2m6e _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "general distance" _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_2m6e 2 2 1 . . . parsed_2m6e 2 3 1 . . . parsed_2m6e 2 4 1 . . . parsed_2m6e 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 . . . . . . . . . 2 CYSS SG parsed_2m6e 2 1 1 2 . . . . . . . . . 8 CYSS SG parsed_2m6e 2 2 1 1 . . . . . . . . . 2 CYSS SG parsed_2m6e 2 2 1 2 . . . . . . . . . 8 CYSS CB parsed_2m6e 2 3 1 1 . . . . . . . . . 2 CYSS CB parsed_2m6e 2 3 1 2 . . . . . . . . . 8 CYSS SG parsed_2m6e 2 4 1 1 . . . . . . . . . 2 CYSS CB parsed_2m6e 2 4 1 2 . . . . . . . . . 8 CYSS CB parsed_2m6e 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 . . . . . . . 2.10 parsed_2m6e 2 2 1 . . . . . . . 3.10 parsed_2m6e 2 3 1 . . . . . . . 3.10 parsed_2m6e 2 4 1 . . . . . . . 4.50 parsed_2m6e 2 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2m6e _Distance_constraint_list.ID 3 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 5 _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_2m6e 3 2 1 . . . parsed_2m6e 3 3 1 . . . parsed_2m6e 3 4 1 . . . parsed_2m6e 3 5 1 . . . parsed_2m6e 3 6 1 . . . parsed_2m6e 3 7 1 . . . parsed_2m6e 3 8 1 . . . parsed_2m6e 3 9 1 . . . parsed_2m6e 3 10 1 . . . parsed_2m6e 3 11 1 . . . parsed_2m6e 3 12 1 . . . parsed_2m6e 3 13 1 . . . parsed_2m6e 3 14 1 . . . parsed_2m6e 3 15 1 . . . parsed_2m6e 3 16 1 . . . parsed_2m6e 3 17 1 . . . parsed_2m6e 3 18 1 . . . parsed_2m6e 3 19 1 . . . parsed_2m6e 3 20 1 . . . parsed_2m6e 3 21 1 . . . parsed_2m6e 3 22 1 . . . parsed_2m6e 3 23 1 . . . parsed_2m6e 3 24 1 . . . parsed_2m6e 3 25 1 . . . parsed_2m6e 3 26 1 . . . parsed_2m6e 3 27 1 . . . parsed_2m6e 3 28 1 . . . parsed_2m6e 3 29 1 . . . parsed_2m6e 3 30 1 . . . parsed_2m6e 3 31 1 . . . parsed_2m6e 3 32 1 . . . parsed_2m6e 3 33 1 . . . parsed_2m6e 3 34 1 . . . parsed_2m6e 3 35 1 . . . parsed_2m6e 3 36 1 . . . parsed_2m6e 3 37 1 . . . parsed_2m6e 3 38 1 . . . parsed_2m6e 3 39 1 . . . parsed_2m6e 3 40 1 . . . parsed_2m6e 3 41 1 . . . parsed_2m6e 3 42 1 . . . parsed_2m6e 3 43 1 . . . parsed_2m6e 3 44 1 . . . parsed_2m6e 3 45 1 . . . parsed_2m6e 3 46 1 . . . parsed_2m6e 3 47 1 . . . parsed_2m6e 3 48 1 . . . parsed_2m6e 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 . . . . . . . . . 1 GLY H parsed_2m6e 3 1 1 2 . . . . . . . . . 1 GLY QA parsed_2m6e 3 2 1 1 . . . . . . . . . 1 GLY QA parsed_2m6e 3 2 1 2 . . . . . . . . . 2 CYSS H parsed_2m6e 3 3 1 1 . . . . . . . . . 2 CYSS H parsed_2m6e 3 3 1 2 . . . . . . . . . 2 CYSS HA parsed_2m6e 3 4 1 1 . . . . . . . . . 2 CYSS HA parsed_2m6e 3 4 1 2 . . . . . . . . . 3 VAL H parsed_2m6e 3 5 1 1 . . . . . . . . . 2 CYSS H parsed_2m6e 3 5 1 2 . . . . . . . . . 2 CYSS QB parsed_2m6e 3 6 1 1 . . . . . . . . . 2 CYSS QB parsed_2m6e 3 6 1 2 . . . . . . . . . 3 VAL H parsed_2m6e 3 7 1 1 . . . . . . . . . 3 VAL H parsed_2m6e 3 7 1 2 . . . . . . . . . 3 VAL HA parsed_2m6e 3 8 1 1 . . . . . . . . . 3 VAL HA parsed_2m6e 3 8 1 2 . . . . . . . . . 5 TYR H parsed_2m6e 3 9 1 1 . . . . . . . . . 3 VAL HA parsed_2m6e 3 9 1 2 . . . . . . . . . 4 DLE H parsed_2m6e 3 10 1 1 . . . . . . . . . 3 VAL HA parsed_2m6e 3 10 1 2 . . . . . . . . . 3 VAL HB parsed_2m6e 3 11 1 1 . . . . . . . . . 3 VAL QQG parsed_2m6e 3 11 1 2 . . . . . . . . . 3 VAL H parsed_2m6e 3 12 1 1 . . . . . . . . . 3 VAL HB parsed_2m6e 3 12 1 2 . . . . . . . . . 3 VAL H parsed_2m6e 3 13 1 1 . . . . . . . . . 3 VAL HA parsed_2m6e 3 13 1 2 . . . . . . . . . 3 VAL QQG parsed_2m6e 3 14 1 1 . . . . . . . . . 4 DLE H parsed_2m6e 3 14 1 2 . . . . . . . . . 4 DLE HA parsed_2m6e 3 15 1 1 . . . . . . . . . 4 DLE H parsed_2m6e 3 15 1 2 . . . . . . . . . 5 TYR H parsed_2m6e 3 16 1 1 . . . . . . . . . 4 DLE HA parsed_2m6e 3 16 1 2 . . . . . . . . . 5 TYR H parsed_2m6e 3 17 1 1 . . . . . . . . . 4 DLE H parsed_2m6e 3 17 1 2 . . . . . . . . . 4 DLE QB parsed_2m6e 3 18 1 1 . . . . . . . . . 4 DLE H parsed_2m6e 3 18 1 2 . . . . . . . . . 4 DLE HG parsed_2m6e 3 19 1 1 . . . . . . . . . 4 DLE HA parsed_2m6e 3 19 1 2 . . . . . . . . . 4 DLE QQD parsed_2m6e 3 20 1 1 . . . . . . . . . 5 TYR H parsed_2m6e 3 20 1 2 . . . . . . . . . 5 TYR HA parsed_2m6e 3 21 1 1 . . . . . . . . . 5 TYR HA parsed_2m6e 3 21 1 2 . . . . . . . . . 7 TRP H parsed_2m6e 3 22 1 1 . . . . . . . . . 5 TYR H parsed_2m6e 3 22 1 2 . . . . . . . . . 8 CYSS HA parsed_2m6e 3 23 1 1 . . . . . . . . . 5 TYR H parsed_2m6e 3 23 1 2 . . . . . . . . . 8 CYSS H parsed_2m6e 3 24 1 1 . . . . . . . . . 5 TYR HA parsed_2m6e 3 24 1 2 . . . . . . . . . 8 CYSS H parsed_2m6e 3 25 1 1 . . . . . . . . . 5 TYR HA parsed_2m6e 3 25 1 2 . . . . . . . . . 6 PRO HA parsed_2m6e 3 26 1 1 . . . . . . . . . 5 TYR H parsed_2m6e 3 26 1 2 . . . . . . . . . 4 DLE HG parsed_2m6e 3 27 1 1 . . . . . . . . . 5 TYR QB parsed_2m6e 3 27 1 2 . . . . . . . . . 5 TYR H parsed_2m6e 3 28 1 1 . . . . . . . . . 5 TYR HA parsed_2m6e 3 28 1 2 . . . . . . . . . 5 TYR QB parsed_2m6e 3 29 1 1 . . . . . . . . . 5 TYR QD parsed_2m6e 3 29 1 2 . . . . . . . . . 1 GLY QA parsed_2m6e 3 30 1 1 . . . . . . . . . 5 TYR QD parsed_2m6e 3 30 1 2 . . . . . . . . . 2 CYSS H parsed_2m6e 3 31 1 1 . . . . . . . . . 6 PRO QB parsed_2m6e 3 31 1 2 . . . . . . . . . 5 TYR QD parsed_2m6e 3 32 1 1 . . . . . . . . . 6 PRO HA parsed_2m6e 3 32 1 2 . . . . . . . . . 5 TYR QD parsed_2m6e 3 33 1 1 . . . . . . . . . 5 TYR QD parsed_2m6e 3 33 1 2 . . . . . . . . . 6 PRO QD parsed_2m6e 3 34 1 1 . . . . . . . . . 5 TYR QD parsed_2m6e 3 34 1 2 . . . . . . . . . 5 TYR QB parsed_2m6e 3 35 1 1 . . . . . . . . . 5 TYR HA parsed_2m6e 3 35 1 2 . . . . . . . . . 5 TYR QD parsed_2m6e 3 36 1 1 . . . . . . . . . 5 TYR QB parsed_2m6e 3 36 1 2 . . . . . . . . . 2 CYSS H parsed_2m6e 3 37 1 1 . . . . . . . . . 6 PRO HA parsed_2m6e 3 37 1 2 . . . . . . . . . 5 TYR QE parsed_2m6e 3 38 1 1 . . . . . . . . . 6 PRO QB parsed_2m6e 3 38 1 2 . . . . . . . . . 5 TYR QE parsed_2m6e 3 39 1 1 . . . . . . . . . 6 PRO HA parsed_2m6e 3 39 1 2 . . . . . . . . . 7 TRP H parsed_2m6e 3 40 1 1 . . . . . . . . . 6 PRO QD parsed_2m6e 3 40 1 2 . . . . . . . . . 7 TRP H parsed_2m6e 3 41 1 1 . . . . . . . . . 6 PRO QG parsed_2m6e 3 41 1 2 . . . . . . . . . 7 TRP H parsed_2m6e 3 42 1 1 . . . . . . . . . 7 TRP H parsed_2m6e 3 42 1 2 . . . . . . . . . 7 TRP HA parsed_2m6e 3 43 1 1 . . . . . . . . . 7 TRP HE3 parsed_2m6e 3 43 1 2 . . . . . . . . . 7 TRP HA parsed_2m6e 3 44 1 1 . . . . . . . . . 7 TRP HE3 parsed_2m6e 3 44 1 2 . . . . . . . . . 7 TRP H parsed_2m6e 3 45 1 1 . . . . . . . . . 7 TRP H parsed_2m6e 3 45 1 2 . . . . . . . . . 7 TRP QB parsed_2m6e 3 46 1 1 . . . . . . . . . 7 TRP HA parsed_2m6e 3 46 1 2 . . . . . . . . . 8 CYSS H parsed_2m6e 3 47 1 1 . . . . . . . . . 7 TRP H parsed_2m6e 3 47 1 2 . . . . . . . . . 8 CYSS H parsed_2m6e 3 48 1 1 . . . . . . . . . 8 CYSS H parsed_2m6e 3 48 1 2 . . . . . . . . . 8 CYSS HA parsed_2m6e 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_2m6e 3 2 1 . . . . . . . 2.40 parsed_2m6e 3 3 1 . . . . . . . 3.00 parsed_2m6e 3 4 1 . . . . . . . 2.40 parsed_2m6e 3 5 1 . . . . . . . 3.50 parsed_2m6e 3 6 1 . . . . . . . 3.50 parsed_2m6e 3 7 1 . . . . . . . 3.00 parsed_2m6e 3 8 1 . . . . . . . 4.50 parsed_2m6e 3 9 1 . . . . . . . 2.40 parsed_2m6e 3 10 1 . . . . . . . 4.00 parsed_2m6e 3 11 1 . . . . . . . 3.50 parsed_2m6e 3 12 1 . . . . . . . 3.00 parsed_2m6e 3 13 1 . . . . . . . 3.00 parsed_2m6e 3 14 1 . . . . . . . 3.50 parsed_2m6e 3 15 1 . . . . . . . 3.00 parsed_2m6e 3 16 1 . . . . . . . 3.50 parsed_2m6e 3 17 1 . . . . . . . 3.50 parsed_2m6e 3 18 1 . . . . . . . 3.50 parsed_2m6e 3 19 1 . . . . . . . 3.50 parsed_2m6e 3 20 1 . . . . . . . 3.50 parsed_2m6e 3 21 1 . . . . . . . 3.00 parsed_2m6e 3 22 1 . . . . . . . 3.50 parsed_2m6e 3 23 1 . . . . . . . 5.00 parsed_2m6e 3 24 1 . . . . . . . 3.50 parsed_2m6e 3 25 1 . . . . . . . 2.40 parsed_2m6e 3 26 1 . . . . . . . 4.00 parsed_2m6e 3 27 1 . . . . . . . 2.50 parsed_2m6e 3 28 1 . . . . . . . 2.50 parsed_2m6e 3 29 1 . . . . . . . 4.00 parsed_2m6e 3 30 1 . . . . . . . 4.50 parsed_2m6e 3 31 1 . . . . . . . 5.00 parsed_2m6e 3 32 1 . . . . . . . 2.50 parsed_2m6e 3 33 1 . . . . . . . 3.50 parsed_2m6e 3 34 1 . . . . . . . 2.50 parsed_2m6e 3 35 1 . . . . . . . 4.00 parsed_2m6e 3 36 1 . . . . . . . 3.50 parsed_2m6e 3 37 1 . . . . . . . 4.50 parsed_2m6e 3 38 1 . . . . . . . 5.00 parsed_2m6e 3 39 1 . . . . . . . 3.50 parsed_2m6e 3 40 1 . . . . . . . 3.50 parsed_2m6e 3 41 1 . . . . . . . 4.50 parsed_2m6e 3 42 1 . . . . . . . 3.00 parsed_2m6e 3 43 1 . . . . . . . 3.00 parsed_2m6e 3 44 1 . . . . . . . 4.00 parsed_2m6e 3 45 1 . . . . . . . 3.00 parsed_2m6e 3 46 1 . . . . . . . 3.50 parsed_2m6e 3 47 1 . . . . . . . 4.00 parsed_2m6e 3 48 1 . . . . . . . 3.00 parsed_2m6e 3 stop_ save_
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