NMR Restraints Grid
| |
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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