NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
651283 |
6wpv   |
30747 | cing | 2-parsed | STAR | entry | full | 96 |
data_6wpv_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6wpv
_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_6wpv 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6wpv
_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 6wpv "Master copy" parsed_6wpv
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6wpv
_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 6wpv.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6wpv 1
1 6wpv.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 15 parsed_6wpv 1
1 6wpv.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 8 parsed_6wpv 1
1 6wpv.mr . . XPLOR/CNS 4 distance NOE simple 73 parsed_6wpv 1
1 6wpv.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6wpv 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_6wpv
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER PLANT PROTEIN 28-APR-20 6WPV
*TITLE SOLUTION NMR STRUCTURE OF THE ORBITIDE XANTHOXYCYCLIN D
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: XANTHOXYCYCLIN D;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: MELICOPE XANTHOXYLOIDES;
*SOURCE 4 ORGANISM_TAXID: 1312821
*KEYWDS ORBITIDE, CYCLIC PLANT PEPTIDE, PLANT PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR K.J.ROSENGREN,C.D.PAYNE
*REVDAT 1 26-AUG-20 6WPV 0
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6wpv
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36.0 124.8 . . 8 . C . 1 . N . 1 . CA . 1 . C parsed_6wpv 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.7 73.3 . . 1 . N . 1 . CA . 1 . C . 2 . N parsed_6wpv 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.7 -97.1 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6wpv 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.6 188.4 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6wpv 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.6 -45.6 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6wpv 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.3 -6.3 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6wpv 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.4 -54.4 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6wpv 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.4 0.6 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6wpv 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.2 -43.2 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6wpv 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.5 -10.5 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6wpv 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.7 -43.7 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6wpv 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.3 -3.3 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6wpv 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.8 -56.2 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6wpv 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.1 40.9 . . 8 . N . 8 . CA . 8 . C . 1 . N parsed_6wpv 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 8 . N . 8 . CA . 8 . CB . 8 . CG parsed_6wpv 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 "Dihedral angles from TALOS-N" 2 1 2 30 parsed_6wpv 1
2 "CHI1 angle from COSY" 19 1 19 22 parsed_6wpv 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 1: Xanthoxycyclin_D_Restraints.tbl" 1 1 1 52 parsed_6wpv 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6wpv
_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_6wpv 1
2 1 . . . parsed_6wpv 1
3 1 . . . parsed_6wpv 1
4 1 . . . parsed_6wpv 1
5 1 . . . parsed_6wpv 1
6 1 . . . parsed_6wpv 1
7 1 . . . parsed_6wpv 1
8 1 . . . parsed_6wpv 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 . HN parsed_6wpv 1
1 1 2 . . . . . . . . . 6 . O parsed_6wpv 1
2 1 1 . . . . . . . . . 1 . N parsed_6wpv 1
2 1 2 . . . . . . . . . 6 . O parsed_6wpv 1
3 1 1 . . . . . . . . . 2 . HN parsed_6wpv 1
3 1 2 . . . . . . . . . 5 . O parsed_6wpv 1
4 1 1 . . . . . . . . . 2 . N parsed_6wpv 1
4 1 2 . . . . . . . . . 5 . O parsed_6wpv 1
5 1 1 . . . . . . . . . 5 . HN parsed_6wpv 1
5 1 2 . . . . . . . . . 2 . OG1 parsed_6wpv 1
6 1 1 . . . . . . . . . 5 . N parsed_6wpv 1
6 1 2 . . . . . . . . . 2 . OG1 parsed_6wpv 1
7 1 1 . . . . . . . . . 8 . HN parsed_6wpv 1
7 1 2 . . . . . . . . . 5 . O parsed_6wpv 1
8 1 1 . . . . . . . . . 8 . N parsed_6wpv 1
8 1 2 . . . . . . . . . 5 . O parsed_6wpv 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 . . . . . 0.00 0.00 2.30 parsed_6wpv 1
2 1 . . . . . 0.00 0.00 3.30 parsed_6wpv 1
3 1 . . . . . 0.00 0.00 2.30 parsed_6wpv 1
4 1 . . . . . 0.00 0.00 3.30 parsed_6wpv 1
5 1 . . . . . 0.00 0.00 2.30 parsed_6wpv 1
6 1 . . . . . 0.00 0.00 3.30 parsed_6wpv 1
7 1 . . . . . 0.00 0.00 2.30 parsed_6wpv 1
8 1 . . . . . 0.00 0.00 3.30 parsed_6wpv 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 "H-Bonds from Temperature Coefficients and Priliminary Calculations" 1 1 1 68 parsed_6wpv 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6wpv
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_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_6wpv 2
2 1 . . . parsed_6wpv 2
3 1 . . . parsed_6wpv 2
4 1 . . . parsed_6wpv 2
5 1 . . . parsed_6wpv 2
6 1 . . . parsed_6wpv 2
7 1 . . . parsed_6wpv 2
8 1 . . . parsed_6wpv 2
9 1 . . . parsed_6wpv 2
10 1 . . . parsed_6wpv 2
11 1 . . . parsed_6wpv 2
12 1 . . . parsed_6wpv 2
13 1 . . . parsed_6wpv 2
14 1 . . . parsed_6wpv 2
15 1 . . . parsed_6wpv 2
16 1 . . . parsed_6wpv 2
17 1 . . . parsed_6wpv 2
18 1 . . . parsed_6wpv 2
19 1 . . . parsed_6wpv 2
20 1 . . . parsed_6wpv 2
21 1 . . . parsed_6wpv 2
22 1 . . . parsed_6wpv 2
23 1 . . . parsed_6wpv 2
24 1 . . . parsed_6wpv 2
25 1 . . . parsed_6wpv 2
26 1 . . . parsed_6wpv 2
27 1 . . . parsed_6wpv 2
28 1 . . . parsed_6wpv 2
29 1 . . . parsed_6wpv 2
30 1 . . . parsed_6wpv 2
31 1 . . . parsed_6wpv 2
32 1 . . . parsed_6wpv 2
33 1 . . . parsed_6wpv 2
34 1 . . . parsed_6wpv 2
35 1 . . . parsed_6wpv 2
36 1 . . . parsed_6wpv 2
37 1 . . . parsed_6wpv 2
38 1 . . . parsed_6wpv 2
39 1 . . . parsed_6wpv 2
40 1 . . . parsed_6wpv 2
41 1 . . . parsed_6wpv 2
42 1 . . . parsed_6wpv 2
43 1 . . . parsed_6wpv 2
44 1 . . . parsed_6wpv 2
45 1 . . . parsed_6wpv 2
46 1 . . . parsed_6wpv 2
47 1 . . . parsed_6wpv 2
48 1 . . . parsed_6wpv 2
49 1 . . . parsed_6wpv 2
50 1 . . . parsed_6wpv 2
51 1 . . . parsed_6wpv 2
52 1 . . . parsed_6wpv 2
53 1 . . . parsed_6wpv 2
54 1 . . . parsed_6wpv 2
55 1 . . . parsed_6wpv 2
56 1 . . . parsed_6wpv 2
57 1 . . . parsed_6wpv 2
58 1 . . . parsed_6wpv 2
59 1 . . . parsed_6wpv 2
60 1 . . . parsed_6wpv 2
61 1 . . . parsed_6wpv 2
62 1 . . . parsed_6wpv 2
63 1 . . . parsed_6wpv 2
64 1 . . . parsed_6wpv 2
65 1 . . . parsed_6wpv 2
66 1 . . . parsed_6wpv 2
67 1 . . . parsed_6wpv 2
68 1 . . . parsed_6wpv 2
69 1 . . . parsed_6wpv 2
70 1 . . . parsed_6wpv 2
71 1 . . . parsed_6wpv 2
72 1 . . . parsed_6wpv 2
73 1 . . . parsed_6wpv 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 . . . . . . . . . 1 . HN parsed_6wpv 2
1 1 2 . . . . . . . . . 1 . HA1 parsed_6wpv 2
2 1 1 . . . . . . . . . 1 . HN parsed_6wpv 2
2 1 2 . . . . . . . . . 1 . HA2 parsed_6wpv 2
3 1 1 . . . . . . . . . 8 . HN parsed_6wpv 2
3 1 2 . . . . . . . . . 8 . HG parsed_6wpv 2
4 1 1 . . . . . . . . . 5 . HN parsed_6wpv 2
4 1 2 . . . . . . . . . 5 . HB parsed_6wpv 2
5 1 1 . . . . . . . . . 5 . HN parsed_6wpv 2
5 1 2 . . . . . . . . . 5 . HG1# parsed_6wpv 2
6 1 1 . . . . . . . . . 5 . HN parsed_6wpv 2
6 1 2 . . . . . . . . . 5 . HG2# parsed_6wpv 2
7 1 1 . . . . . . . . . 3 . HN parsed_6wpv 2
7 1 2 . . . . . . . . . 3 . HB parsed_6wpv 2
8 1 1 . . . . . . . . . 4 . HN parsed_6wpv 2
8 1 2 . . . . . . . . . 4 . HB# parsed_6wpv 2
9 1 1 . . . . . . . . . 2 . HN parsed_6wpv 2
9 1 2 . . . . . . . . . 2 . HB parsed_6wpv 2
10 1 1 . . . . . . . . . 2 . HN parsed_6wpv 2
10 1 2 . . . . . . . . . 2 . HG2# parsed_6wpv 2
11 1 1 . . . . . . . . . 2 . HB parsed_6wpv 2
11 1 2 . . . . . . . . . 3 . HN parsed_6wpv 2
12 1 1 . . . . . . . . . 7 . HB2 parsed_6wpv 2
12 1 2 . . . . . . . . . 8 . HN parsed_6wpv 2
13 1 1 . . . . . . . . . 7 . HB1 parsed_6wpv 2
13 1 2 . . . . . . . . . 8 . HN parsed_6wpv 2
14 1 1 . . . . . . . . . 5 . HB parsed_6wpv 2
14 1 2 . . . . . . . . . 8 . HN parsed_6wpv 2
15 1 1 . . . . . . . . . 4 . HB# parsed_6wpv 2
15 1 2 . . . . . . . . . 5 . HN parsed_6wpv 2
16 1 1 . . . . . . . . . 6 . HN parsed_6wpv 2
16 1 2 . . . . . . . . . 6 . HG2 parsed_6wpv 2
17 1 1 . . . . . . . . . 6 . HN parsed_6wpv 2
17 1 2 . . . . . . . . . 6 . HG1 parsed_6wpv 2
18 1 1 . . . . . . . . . 5 . HG2# parsed_6wpv 2
18 1 2 . . . . . . . . . 8 . HN parsed_6wpv 2
19 1 1 . . . . . . . . . 2 . HG2# parsed_6wpv 2
19 1 2 . . . . . . . . . 4 . HN parsed_6wpv 2
20 1 1 . . . . . . . . . 2 . HG2# parsed_6wpv 2
20 1 2 . . . . . . . . . 3 . HN parsed_6wpv 2
21 1 1 . . . . . . . . . 3 . HN parsed_6wpv 2
21 1 2 . . . . . . . . . 4 . HB# parsed_6wpv 2
22 1 1 . . . . . . . . . 1 . HN parsed_6wpv 2
22 1 2 . . . . . . . . . 8 . HD# parsed_6wpv 2
23 1 1 . . . . . . . . . 1 . HN parsed_6wpv 2
23 1 2 . . . . . . . . . 8 . HA parsed_6wpv 2
24 1 1 . . . . . . . . . 3 . HB parsed_6wpv 2
24 1 2 . . . . . . . . . 4 . HN parsed_6wpv 2
25 1 1 . . . . . . . . . 2 . HB parsed_6wpv 2
25 1 2 . . . . . . . . . 4 . HN parsed_6wpv 2
26 1 1 . . . . . . . . . 1 . HN parsed_6wpv 2
26 1 2 . . . . . . . . . 7 . HA parsed_6wpv 2
27 1 1 . . . . . . . . . 2 . HB parsed_6wpv 2
27 1 2 . . . . . . . . . 5 . HN parsed_6wpv 2
28 1 1 . . . . . . . . . 2 . HN parsed_6wpv 2
28 1 2 . . . . . . . . . 5 . HB parsed_6wpv 2
29 1 1 . . . . . . . . . 2 . HN parsed_6wpv 2
29 1 2 . . . . . . . . . 8 . HB1 parsed_6wpv 2
30 1 1 . . . . . . . . . 2 . HN parsed_6wpv 2
30 1 2 . . . . . . . . . 8 . HB2 parsed_6wpv 2
31 1 1 . . . . . . . . . 1 . HN parsed_6wpv 2
31 1 2 . . . . . . . . . 8 . HB1 parsed_6wpv 2
32 1 1 . . . . . . . . . 1 . HN parsed_6wpv 2
32 1 2 . . . . . . . . . 8 . HB2 parsed_6wpv 2
33 1 1 . . . . . . . . . 1 . HN parsed_6wpv 2
33 1 2 . . . . . . . . . 2 . HG2# parsed_6wpv 2
34 1 1 . . . . . . . . . 2 . HG2# parsed_6wpv 2
34 1 2 . . . . . . . . . 5 . HN parsed_6wpv 2
35 1 1 . . . . . . . . . 7 . HD# parsed_6wpv 2
35 1 2 . . . . . . . . . 8 . HD# parsed_6wpv 2
36 1 1 . . . . . . . . . 5 . HG1# parsed_6wpv 2
36 1 2 . . . . . . . . . 7 . HD# parsed_6wpv 2
37 1 1 . . . . . . . . . 5 . HG2# parsed_6wpv 2
37 1 2 . . . . . . . . . 7 . HD# parsed_6wpv 2
38 1 1 . . . . . . . . . 7 . HZ parsed_6wpv 2
38 1 2 . . . . . . . . . 8 . HD# parsed_6wpv 2
39 1 1 . . . . . . . . . 8 . HN parsed_6wpv 2
39 1 2 . . . . . . . . . 8 . HD# parsed_6wpv 2
40 1 1 . . . . . . . . . 5 . HG1# parsed_6wpv 2
40 1 2 . . . . . . . . . 8 . HN parsed_6wpv 2
41 1 1 . . . . . . . . . 7 . HE# parsed_6wpv 2
41 1 2 . . . . . . . . . 8 . HD# parsed_6wpv 2
42 1 1 . . . . . . . . . 5 . HG2# parsed_6wpv 2
42 1 2 . . . . . . . . . 7 . HE# parsed_6wpv 2
43 1 1 . . . . . . . . . 7 . HA parsed_6wpv 2
43 1 2 . . . . . . . . . 7 . HD# parsed_6wpv 2
44 1 1 . . . . . . . . . 2 . HN parsed_6wpv 2
44 1 2 . . . . . . . . . 8 . HD# parsed_6wpv 2
45 1 1 . . . . . . . . . 5 . HG1# parsed_6wpv 2
45 1 2 . . . . . . . . . 7 . HE# parsed_6wpv 2
46 1 1 . . . . . . . . . 2 . HA parsed_6wpv 2
46 1 2 . . . . . . . . . 2 . HG2# parsed_6wpv 2
47 1 1 . . . . . . . . . 3 . HA parsed_6wpv 2
47 1 2 . . . . . . . . . 3 . HG1# parsed_6wpv 2
48 1 1 . . . . . . . . . 3 . HA parsed_6wpv 2
48 1 2 . . . . . . . . . 3 . HG2# parsed_6wpv 2
49 1 1 . . . . . . . . . 5 . HA parsed_6wpv 2
49 1 2 . . . . . . . . . 5 . HG1# parsed_6wpv 2
50 1 1 . . . . . . . . . 5 . HA parsed_6wpv 2
50 1 2 . . . . . . . . . 5 . HG2# parsed_6wpv 2
51 1 1 . . . . . . . . . 8 . HA parsed_6wpv 2
51 1 2 . . . . . . . . . 8 . HG parsed_6wpv 2
52 1 1 . . . . . . . . . 8 . HA parsed_6wpv 2
52 1 2 . . . . . . . . . 8 . HD# parsed_6wpv 2
53 1 1 . . . . . . . . . 1 . HN parsed_6wpv 2
53 1 2 . . . . . . . . . 2 . HN parsed_6wpv 2
54 1 1 . . . . . . . . . 1 . HN parsed_6wpv 2
54 1 2 . . . . . . . . . 8 . HN parsed_6wpv 2
55 1 1 . . . . . . . . . 4 . HN parsed_6wpv 2
55 1 2 . . . . . . . . . 5 . HN parsed_6wpv 2
56 1 1 . . . . . . . . . 3 . HN parsed_6wpv 2
56 1 2 . . . . . . . . . 4 . HN parsed_6wpv 2
57 1 1 . . . . . . . . . 2 . HG1 parsed_6wpv 2
57 1 2 . . . . . . . . . 4 . HN parsed_6wpv 2
58 1 1 . . . . . . . . . 2 . HG1 parsed_6wpv 2
58 1 2 . . . . . . . . . 3 . HN parsed_6wpv 2
59 1 1 . . . . . . . . . 1 . HN parsed_6wpv 2
59 1 2 . . . . . . . . . 5 . HG* parsed_6wpv 2
60 1 1 . . . . . . . . . 2 . HN parsed_6wpv 2
60 1 2 . . . . . . . . . 5 . HG* parsed_6wpv 2
61 1 1 . . . . . . . . . 2 . HN parsed_6wpv 2
61 1 2 . . . . . . . . . 8 . HB# parsed_6wpv 2
62 1 1 . . . . . . . . . 3 . HN parsed_6wpv 2
62 1 2 . . . . . . . . . 3 . HG* parsed_6wpv 2
63 1 1 . . . . . . . . . 3 . HG* parsed_6wpv 2
63 1 2 . . . . . . . . . 4 . HN parsed_6wpv 2
64 1 1 . . . . . . . . . 4 . HN parsed_6wpv 2
64 1 2 . . . . . . . . . 5 . HG* parsed_6wpv 2
65 1 1 . . . . . . . . . 5 . HN parsed_6wpv 2
65 1 2 . . . . . . . . . 5 . HG* parsed_6wpv 2
66 1 1 . . . . . . . . . 5 . HA parsed_6wpv 2
66 1 2 . . . . . . . . . 5 . HG* parsed_6wpv 2
67 1 1 . . . . . . . . . 5 . HG* parsed_6wpv 2
67 1 2 . . . . . . . . . 7 . HD# parsed_6wpv 2
68 1 1 . . . . . . . . . 5 . HG* parsed_6wpv 2
68 1 2 . . . . . . . . . 7 . HE# parsed_6wpv 2
69 1 1 . . . . . . . . . 5 . HG* parsed_6wpv 2
69 1 2 . . . . . . . . . 7 . HZ parsed_6wpv 2
70 1 1 . . . . . . . . . 5 . HG* parsed_6wpv 2
70 1 2 . . . . . . . . . 8 . HN parsed_6wpv 2
71 1 1 . . . . . . . . . 7 . HB# parsed_6wpv 2
71 1 2 . . . . . . . . . 8 . HN parsed_6wpv 2
72 1 1 . . . . . . . . . 8 . HN parsed_6wpv 2
72 1 2 . . . . . . . . . 8 . HB# parsed_6wpv 2
73 1 1 . . . . . . . . . 8 . HB# parsed_6wpv 2
73 1 2 . . . . . . . . . 8 . HG parsed_6wpv 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 . . . . . 2.325 1.800 2.850 parsed_6wpv 2
2 1 . . . . . 2.325 1.800 2.850 parsed_6wpv 2
3 1 . . . . . 3.150 1.800 4.500 parsed_6wpv 2
4 1 . . . . . 2.450 1.800 3.100 parsed_6wpv 2
5 1 . . . . . 3.050 1.800 4.300 parsed_6wpv 2
6 1 . . . . . 3.050 1.800 4.300 parsed_6wpv 2
7 1 . . . . . 2.545 1.800 3.290 parsed_6wpv 2
8 1 . . . . . 2.935 1.800 4.070 parsed_6wpv 2
9 1 . . . . . 2.955 1.800 4.110 parsed_6wpv 2
10 1 . . . . . 2.710 1.800 3.620 parsed_6wpv 2
11 1 . . . . . 2.335 1.800 2.870 parsed_6wpv 2
12 1 . . . . . 3.360 1.800 4.920 parsed_6wpv 2
13 1 . . . . . 3.360 1.800 4.920 parsed_6wpv 2
14 1 . . . . . 3.080 1.800 4.360 parsed_6wpv 2
15 1 . . . . . 2.710 1.800 3.620 parsed_6wpv 2
16 1 . . . . . 3.650 1.800 5.500 parsed_6wpv 2
17 1 . . . . . 3.650 1.800 5.500 parsed_6wpv 2
18 1 . . . . . 3.650 1.800 5.500 parsed_6wpv 2
19 1 . . . . . 3.395 1.800 4.990 parsed_6wpv 2
20 1 . . . . . 2.940 1.800 4.080 parsed_6wpv 2
21 1 . . . . . 3.310 1.800 4.820 parsed_6wpv 2
22 1 . . . . . 3.290 1.800 4.780 parsed_6wpv 2
23 1 . . . . . 2.945 1.800 4.090 parsed_6wpv 2
24 1 . . . . . 2.615 1.800 3.430 parsed_6wpv 2
25 1 . . . . . 2.695 1.800 3.590 parsed_6wpv 2
26 1 . . . . . 3.070 1.800 4.340 parsed_6wpv 2
27 1 . . . . . 3.275 1.800 4.750 parsed_6wpv 2
28 1 . . . . . 3.225 1.800 4.650 parsed_6wpv 2
29 1 . . . . . 3.650 1.800 5.500 parsed_6wpv 2
30 1 . . . . . 3.650 1.800 5.500 parsed_6wpv 2
31 1 . . . . . 3.650 1.800 5.500 parsed_6wpv 2
32 1 . . . . . 3.650 1.800 5.500 parsed_6wpv 2
33 1 . . . . . 3.640 1.800 5.480 parsed_6wpv 2
34 1 . . . . . 3.310 1.800 4.820 parsed_6wpv 2
35 1 . . . . . 2.780 1.800 3.760 parsed_6wpv 2
36 1 . . . . . 3.360 1.800 4.920 parsed_6wpv 2
37 1 . . . . . 3.360 1.800 4.920 parsed_6wpv 2
38 1 . . . . . 3.115 1.800 4.430 parsed_6wpv 2
39 1 . . . . . 3.210 1.800 4.620 parsed_6wpv 2
40 1 . . . . . 3.650 1.800 5.500 parsed_6wpv 2
41 1 . . . . . 2.610 1.800 3.420 parsed_6wpv 2
42 1 . . . . . 3.575 1.800 5.350 parsed_6wpv 2
43 1 . . . . . 3.650 1.800 5.500 parsed_6wpv 2
44 1 . . . . . 3.385 1.800 4.970 parsed_6wpv 2
45 1 . . . . . 3.575 1.800 5.350 parsed_6wpv 2
46 1 . . . . . 2.745 1.800 3.690 parsed_6wpv 2
47 1 . . . . . 2.755 1.800 3.710 parsed_6wpv 2
48 1 . . . . . 2.755 1.800 3.710 parsed_6wpv 2
49 1 . . . . . 2.725 1.800 3.650 parsed_6wpv 2
50 1 . . . . . 2.725 1.800 3.650 parsed_6wpv 2
51 1 . . . . . 2.985 1.800 4.170 parsed_6wpv 2
52 1 . . . . . 2.385 1.800 2.970 parsed_6wpv 2
53 1 . . . . . 2.760 1.800 3.720 parsed_6wpv 2
54 1 . . . . . 2.795 1.800 3.790 parsed_6wpv 2
55 1 . . . . . 2.495 1.800 3.190 parsed_6wpv 2
56 1 . . . . . 2.840 1.800 3.880 parsed_6wpv 2
57 1 . . . . . 2.530 1.800 3.260 parsed_6wpv 2
58 1 . . . . . 3.225 1.800 4.650 parsed_6wpv 2
59 1 . . . . . 3.540 1.800 5.280 parsed_6wpv 2
60 1 . . . . . 3.620 1.800 5.440 parsed_6wpv 2
61 1 . . . . . 3.315 1.800 4.830 parsed_6wpv 2
62 1 . . . . . 2.835 1.800 3.870 parsed_6wpv 2
63 1 . . . . . 3.145 1.800 4.490 parsed_6wpv 2
64 1 . . . . . 3.330 1.800 4.860 parsed_6wpv 2
65 1 . . . . . 2.685 1.800 3.570 parsed_6wpv 2
66 1 . . . . . 2.320 1.800 2.840 parsed_6wpv 2
67 1 . . . . . 2.870 1.800 3.940 parsed_6wpv 2
68 1 . . . . . 2.905 1.800 4.010 parsed_6wpv 2
69 1 . . . . . 3.620 1.800 5.440 parsed_6wpv 2
70 1 . . . . . 2.940 1.800 4.080 parsed_6wpv 2
71 1 . . . . . 2.985 1.800 4.170 parsed_6wpv 2
72 1 . . . . . 2.515 1.800 3.230 parsed_6wpv 2
73 1 . . . . . 2.125 1.800 2.450 parsed_6wpv 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 "Inter-proton Distance Restraints from CYANA 3.98.5" 1 1 1 52 parsed_6wpv 2
stop_
save_
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