NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
51373 | 2k6u | 16968 | cing | 2-parsed | STAR | entry | full | 74 |
data_2k6u_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2k6u _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_2k6u 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2k6u _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 2k6u "Master copy" parsed_2k6u stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2k6u _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 2k6u.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k6u 1 1 2k6u.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 54 parsed_2k6u 1 1 2k6u.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 20 parsed_2k6u 1 1 2k6u.mr . . ARIA 4 distance NOE simple 0 parsed_2k6u 1 1 2k6u.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k6u 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_2k6u _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 HORMONE 24-JUL-08 2K6U *TITLE THE SOLUTION STRUCTURE OF A CONFORMATIONALLY RESTRICTED *TITLE 2 FULLY ACTIVE DERIVATIVE OF THE HUMAN RELAXIN-LIKE FACTOR *TITLE 3 (RLF) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: INSULIN-LIKE 3 A CHAIN; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDUES 106-131; *COMPND 5 SYNONYM: LEYDIG INSULIN-LIKE PEPTIDE, LEY-I-L, RELAXIN- *COMPND 6 LIKE FACTOR, RLF; *COMPND 7 ENGINEERED: YES; *COMPND 8 MOL_ID: 2; *COMPND 9 MOLECULE: INSULIN-LIKE 3 B CHAIN; *COMPND 10 CHAIN: B; *COMPND 11 FRAGMENT: UNP RESIDUES 25-51; *COMPND 12 SYNONYM: LEYDIG INSULIN-LIKE PEPTIDE, LEY-I-L, RELAXIN- *COMPND 13 LIKE FACTOR, RLF; *COMPND 14 ENGINEERED: YES; *COMPND 15 MUTATION: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HUMANS.; *SOURCE 4 MOL_ID: 2; *SOURCE 5 SYNTHETIC: YES; *SOURCE 6 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HUMANS. *KEYWDS PROTEIN, CROSS-LINK, ISOPEPTIDE, CLEAVAGE ON PAIR OF BASIC *KEYWDS 2 RESIDUES, DISEASE MUTATION, HORMONE, POLYMORPHISM, SECRETED *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR E.E.BULLESBACH, M.A.S.HASS, M.R.JENSEN, D.F.HANSEN, *AUTHOR 2 S.M.KRISTENSEN, C.SCHWABE, J.J.LED *REVDAT 2 30-DEC-08 2K6U 1 FIXED FORMAT *REVDAT 1 16-DEC-08 2K6U 0 ; save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2k6u _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.39 -32.39 . . 111 . C . 112 . N . 112 . CA . 112 . C parsed_2k6u 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.93 -34.93 . . 112 . C . 113 . N . 113 . CA . 113 . C parsed_2k6u 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.00 -31.00 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_2k6u 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.48 -39.48 . . 114 . C . 115 . N . 115 . CA . 115 . C parsed_2k6u 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.05 -50.05 . . 115 . C . 116 . N . 116 . CA . 116 . C parsed_2k6u 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.93 -32.93 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_2k6u 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.10 -31.10 . . 121 . C . 122 . N . 122 . CA . 122 . C parsed_2k6u 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.99 -32.99 . . 122 . C . 123 . N . 123 . CA . 123 . C parsed_2k6u 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.31 -31.31 . . 123 . C . 124 . N . 124 . CA . 124 . C parsed_2k6u 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.42 -35.42 . . 124 . C . 125 . N . 125 . CA . 125 . C parsed_2k6u 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.48 -33.48 . . 125 . C . 126 . N . 126 . CA . 126 . C parsed_2k6u 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.30 -34.30 . . 126 . C . 127 . N . 127 . CA . 127 . C parsed_2k6u 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.72 -56.72 . . 127 . C . 128 . N . 128 . CA . 128 . C parsed_2k6u 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.88 -46.88 . . 128 . C . 129 . N . 129 . CA . 129 . C parsed_2k6u 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.44 -43.44 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2k6u 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.89 -30.89 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2k6u 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.01 -33.01 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2k6u 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.25 -34.25 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2k6u 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.36 -31.36 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2k6u 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.02 -32.02 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2k6u 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.68 -36.68 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2k6u 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.82 -32.82 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2k6u 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.55 -31.55 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2k6u 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.12 -36.12 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2k6u 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.87 -61.87 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2k6u 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.30 -13.30 . . 112 . N . 112 . CA . 112 . C . 113 . N parsed_2k6u 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.78 -10.78 . . 113 . N . 113 . CA . 113 . C . 114 . N parsed_2k6u 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.19 -16.19 . . 114 . N . 114 . CA . 114 . C . 115 . N parsed_2k6u 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.90 6.10 . . 115 . N . 115 . CA . 115 . C . 116 . N parsed_2k6u 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.28 -8.28 . . 122 . N . 122 . CA . 122 . C . 123 . N parsed_2k6u 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.23 -11.23 . . 123 . N . 123 . CA . 123 . C . 124 . N parsed_2k6u 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.21 -11.21 . . 124 . N . 124 . CA . 124 . C . 125 . N parsed_2k6u 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.10 -9.10 . . 125 . N . 125 . CA . 125 . C . 126 . N parsed_2k6u 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.33 -13.33 . . 126 . N . 126 . CA . 126 . C . 127 . N parsed_2k6u 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.57 -10.57 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2k6u 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.91 -9.91 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2k6u 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.43 -12.43 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2k6u 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.16 -10.16 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2k6u 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.87 -10.87 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2k6u 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.67 -9.67 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2k6u 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.87 -12.87 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2k6u 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.23 -10.23 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2k6u 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.68 -4.68 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_2k6u 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.00 100.00 . . 120 . N . 120 . CA . 120 . CB . 120 . SG parsed_2k6u 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 128 . N . 128 . CA . 128 . CB . 128 . CG parsed_2k6u 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 32 . N . 32 . CA . 32 . CB . 32 . CG parsed_2k6u 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 34 . N . 34 . CA . 34 . CB . 34 . SG parsed_2k6u 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 37 . N . 37 . CA . 37 . CB . 37 . CG parsed_2k6u 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 220.00 . . 38 . N . 38 . CA . 38 . CB . 38 . CG parsed_2k6u 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -20.00 . . 40 . N . 40 . CA . 40 . CB . 40 . CG parsed_2k6u 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 220.00 . . 44 . N . 44 . CA . 44 . CB . 44 . CG parsed_2k6u 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 220.00 . . 39 . N . 39 . CA . 39 . CB . 39 . CG parsed_2k6u 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 220.00 . . 43 . N . 43 . CA . 43 . CB . 43 . CG parsed_2k6u 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 220.00 . . 45 . N . 45 . CA . 45 . CB . 45 . CG parsed_2k6u 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 dihedral" 1 1 1 22 parsed_2k6u 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2k6u _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_2k6u 1 2 1 . . . parsed_2k6u 1 3 1 . . . parsed_2k6u 1 4 1 . . . parsed_2k6u 1 5 1 . . . parsed_2k6u 1 6 1 . . . parsed_2k6u 1 7 1 . . . parsed_2k6u 1 8 1 . . . parsed_2k6u 1 9 1 . . . parsed_2k6u 1 10 1 . . . parsed_2k6u 1 11 1 . . . parsed_2k6u 1 12 1 . . . parsed_2k6u 1 13 1 . . . parsed_2k6u 1 14 1 . . . parsed_2k6u 1 15 1 . . . parsed_2k6u 1 16 1 . . . parsed_2k6u 1 17 1 . . . parsed_2k6u 1 18 1 . . . parsed_2k6u 1 19 1 . . . parsed_2k6u 1 20 1 . . . parsed_2k6u 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 . . . . . . . . . 115 . HN parsed_2k6u 1 1 1 2 . . . . . . . . . 111 . O parsed_2k6u 1 2 1 1 . . . . . . . . . 115 . N parsed_2k6u 1 2 1 2 . . . . . . . . . 111 . O parsed_2k6u 1 3 1 1 . . . . . . . . . 116 . HN parsed_2k6u 1 3 1 2 . . . . . . . . . 112 . O parsed_2k6u 1 4 1 1 . . . . . . . . . 116 . N parsed_2k6u 1 4 1 2 . . . . . . . . . 112 . O parsed_2k6u 1 5 1 1 . . . . . . . . . 126 . HN parsed_2k6u 1 5 1 2 . . . . . . . . . 122 . O parsed_2k6u 1 6 1 1 . . . . . . . . . 126 . N parsed_2k6u 1 6 1 2 . . . . . . . . . 122 . O parsed_2k6u 1 7 1 1 . . . . . . . . . 127 . HN parsed_2k6u 1 7 1 2 . . . . . . . . . 123 . O parsed_2k6u 1 8 1 1 . . . . . . . . . 127 . N parsed_2k6u 1 8 1 2 . . . . . . . . . 123 . O parsed_2k6u 1 9 1 1 . . . . . . . . . 40 . HN parsed_2k6u 1 9 1 2 . . . . . . . . . 36 . O parsed_2k6u 1 10 1 1 . . . . . . . . . 40 . N parsed_2k6u 1 10 1 2 . . . . . . . . . 36 . O parsed_2k6u 1 11 1 1 . . . . . . . . . 41 . HN parsed_2k6u 1 11 1 2 . . . . . . . . . 37 . O parsed_2k6u 1 12 1 1 . . . . . . . . . 41 . N parsed_2k6u 1 12 1 2 . . . . . . . . . 37 . O parsed_2k6u 1 13 1 1 . . . . . . . . . 42 . HN parsed_2k6u 1 13 1 2 . . . . . . . . . 38 . O parsed_2k6u 1 14 1 1 . . . . . . . . . 42 . N parsed_2k6u 1 14 1 2 . . . . . . . . . 38 . O parsed_2k6u 1 15 1 1 . . . . . . . . . 43 . HN parsed_2k6u 1 15 1 2 . . . . . . . . . 39 . O parsed_2k6u 1 16 1 1 . . . . . . . . . 43 . N parsed_2k6u 1 16 1 2 . . . . . . . . . 39 . O parsed_2k6u 1 17 1 1 . . . . . . . . . 44 . HN parsed_2k6u 1 17 1 2 . . . . . . . . . 40 . O parsed_2k6u 1 18 1 1 . . . . . . . . . 44 . N parsed_2k6u 1 18 1 2 . . . . . . . . . 40 . O parsed_2k6u 1 19 1 1 . . . . . . . . . 45 . HN parsed_2k6u 1 19 1 2 . . . . . . . . . 41 . O parsed_2k6u 1 20 1 1 . . . . . . . . . 45 . N parsed_2k6u 1 20 1 2 . . . . . . . . . 41 . O parsed_2k6u 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 . . . . . 1.80 1.80 2.30 parsed_2k6u 1 2 1 . . . . . 2.80 2.80 3.30 parsed_2k6u 1 3 1 . . . . . 1.80 1.80 2.30 parsed_2k6u 1 4 1 . . . . . 2.80 2.80 3.30 parsed_2k6u 1 5 1 . . . . . 1.80 1.80 2.30 parsed_2k6u 1 6 1 . . . . . 2.80 2.80 3.30 parsed_2k6u 1 7 1 . . . . . 1.80 1.80 2.30 parsed_2k6u 1 8 1 . . . . . 2.80 2.80 3.30 parsed_2k6u 1 9 1 . . . . . 1.80 1.80 2.30 parsed_2k6u 1 10 1 . . . . . 2.80 2.80 3.30 parsed_2k6u 1 11 1 . . . . . 1.80 1.80 2.30 parsed_2k6u 1 12 1 . . . . . 2.80 2.80 3.30 parsed_2k6u 1 13 1 . . . . . 1.80 1.80 2.30 parsed_2k6u 1 14 1 . . . . . 2.80 2.80 3.30 parsed_2k6u 1 15 1 . . . . . 1.80 1.80 2.30 parsed_2k6u 1 16 1 . . . . . 2.80 2.80 3.30 parsed_2k6u 1 17 1 . . . . . 1.80 1.80 2.30 parsed_2k6u 1 18 1 . . . . . 2.80 2.80 3.30 parsed_2k6u 1 19 1 . . . . . 1.80 1.80 2.30 parsed_2k6u 1 20 1 . . . . . 2.80 2.80 3.30 parsed_2k6u 1 stop_ save_
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