NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
603751 |
2n9b   |
25899 | cing | 2-parsed | STAR | distance | NOE | simple | 81 |
data_2n9b_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n9b
_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_2n9b 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n9b
_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 2n9b "Master copy" parsed_2n9b
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n9b
_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 2n9b.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n9b 1
1 2n9b.mr . . XPLOR/CNS 2 distance NOE simple 1480 parsed_2n9b 1
1 2n9b.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 228 parsed_2n9b 1
1 2n9b.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 258 parsed_2n9b 1
1 2n9b.mr . . XPLOR/CNS 5 distance NOE ambi 26 parsed_2n9b 1
1 2n9b.mr . . XPLOR/CNS 6 distance NOE simple 81 parsed_2n9b 1
1 2n9b.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2n9b 1
1 2n9b.mr . . XPLOR/CNS 8 distance NOE ambi 0 parsed_2n9b 1
1 2n9b.mr . . XPLOR/CNS 9 distance "hydrogen bond" simple 0 parsed_2n9b 1
1 2n9b.mr . . XPLOR/CNS 10 distance NOE simple 0 parsed_2n9b 1
1 2n9b.mr . . XPLOR/CNS 11 distance NOE simple 0 parsed_2n9b 1
1 2n9b.mr . . "MR format" 12 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n9b 1
stop_
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n9b
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_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_2n9b 1
2 1 . . . parsed_2n9b 1
3 1 . . . parsed_2n9b 1
4 1 . . . parsed_2n9b 1
5 1 . . . parsed_2n9b 1
6 1 . . . parsed_2n9b 1
7 1 . . . parsed_2n9b 1
8 1 . . . parsed_2n9b 1
9 1 . . . parsed_2n9b 1
10 1 . . . parsed_2n9b 1
11 1 . . . parsed_2n9b 1
12 1 . . . parsed_2n9b 1
13 1 . . . parsed_2n9b 1
14 1 . . . parsed_2n9b 1
15 1 . . . parsed_2n9b 1
16 1 . . . parsed_2n9b 1
17 1 . . . parsed_2n9b 1
18 1 . . . parsed_2n9b 1
19 1 . . . parsed_2n9b 1
20 1 . . . parsed_2n9b 1
21 1 . . . parsed_2n9b 1
22 1 . . . parsed_2n9b 1
23 1 . . . parsed_2n9b 1
24 1 . . . parsed_2n9b 1
25 1 . . . parsed_2n9b 1
26 1 . . . parsed_2n9b 1
27 1 . . . parsed_2n9b 1
28 1 . . . parsed_2n9b 1
29 1 . . . parsed_2n9b 1
30 1 . . . parsed_2n9b 1
31 1 . . . parsed_2n9b 1
32 1 . . . parsed_2n9b 1
33 1 . . . parsed_2n9b 1
34 1 . . . parsed_2n9b 1
35 1 . . . parsed_2n9b 1
36 1 . . . parsed_2n9b 1
37 1 . . . parsed_2n9b 1
38 1 . . . parsed_2n9b 1
39 1 . . . parsed_2n9b 1
40 1 . . . parsed_2n9b 1
41 1 . . . parsed_2n9b 1
42 1 . . . parsed_2n9b 1
43 1 . . . parsed_2n9b 1
44 1 . . . parsed_2n9b 1
45 1 . . . parsed_2n9b 1
46 1 . . . parsed_2n9b 1
47 1 . . . parsed_2n9b 1
48 1 . . . parsed_2n9b 1
49 1 . . . parsed_2n9b 1
50 1 . . . parsed_2n9b 1
51 1 . . . parsed_2n9b 1
52 1 . . . parsed_2n9b 1
53 1 . . . parsed_2n9b 1
54 1 . . . parsed_2n9b 1
55 1 . . . parsed_2n9b 1
56 1 . . . parsed_2n9b 1
57 1 . . . parsed_2n9b 1
58 1 . . . parsed_2n9b 1
59 1 . . . parsed_2n9b 1
60 1 . . . parsed_2n9b 1
61 1 . . . parsed_2n9b 1
62 1 . . . parsed_2n9b 1
63 1 . . . parsed_2n9b 1
64 1 . . . parsed_2n9b 1
65 1 . . . parsed_2n9b 1
66 1 . . . parsed_2n9b 1
67 1 . . . parsed_2n9b 1
68 1 . . . parsed_2n9b 1
69 1 . . . parsed_2n9b 1
70 1 . . . parsed_2n9b 1
71 1 . . . parsed_2n9b 1
72 1 . . . parsed_2n9b 1
73 1 . . . parsed_2n9b 1
74 1 . . . parsed_2n9b 1
75 1 . . . parsed_2n9b 1
76 1 . . . parsed_2n9b 1
77 1 . . . parsed_2n9b 1
78 1 . . . parsed_2n9b 1
79 1 . . . parsed_2n9b 1
80 1 . . . parsed_2n9b 1
81 1 . . . parsed_2n9b 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 . . . . . . . . B 1905 . HA parsed_2n9b 1
1 1 2 . . . . . . . . A 930 . HA parsed_2n9b 1
2 1 1 . . . . . . . . A 905 . HA parsed_2n9b 1
2 1 2 . . . . . . . . B 1930 . HA parsed_2n9b 1
3 1 1 . . . . . . . . A 919 . HE# parsed_2n9b 1
3 1 2 . . . . . . . . B 1912 . HA parsed_2n9b 1
4 1 1 . . . . . . . . B 1919 . HE# parsed_2n9b 1
4 1 2 . . . . . . . . A 912 . HA parsed_2n9b 1
5 1 1 . . . . . . . . A 902 . HA parsed_2n9b 1
5 1 2 . . . . . . . . B 1933 . HB# parsed_2n9b 1
6 1 1 . . . . . . . . B 1902 . HA parsed_2n9b 1
6 1 2 . . . . . . . . A 933 . HB# parsed_2n9b 1
7 1 1 . . . . . . . . A 919 . HE# parsed_2n9b 1
7 1 2 . . . . . . . . B 1916 . HA parsed_2n9b 1
8 1 1 . . . . . . . . B 1919 . HE# parsed_2n9b 1
8 1 2 . . . . . . . . A 916 . HA parsed_2n9b 1
9 1 1 . . . . . . . . B 1930 . HA parsed_2n9b 1
9 1 2 . . . . . . . . A 905 . HD# parsed_2n9b 1
10 1 1 . . . . . . . . A 930 . HA parsed_2n9b 1
10 1 2 . . . . . . . . B 1905 . HD# parsed_2n9b 1
11 1 1 . . . . . . . . A 898 . HA parsed_2n9b 1
11 1 2 . . . . . . . . B 1936 . HB# parsed_2n9b 1
12 1 1 . . . . . . . . B 1898 . HA parsed_2n9b 1
12 1 2 . . . . . . . . A 936 . HB# parsed_2n9b 1
13 1 1 . . . . . . . . B 1944 . HE# parsed_2n9b 1
13 1 2 . . . . . . . . A 894 . HB# parsed_2n9b 1
14 1 1 . . . . . . . . A 944 . HE# parsed_2n9b 1
14 1 2 . . . . . . . . B 1894 . HB# parsed_2n9b 1
15 1 1 . . . . . . . . B 1905 . HE# parsed_2n9b 1
15 1 2 . . . . . . . . A 926 . HG# parsed_2n9b 1
16 1 1 . . . . . . . . A 905 . HE# parsed_2n9b 1
16 1 2 . . . . . . . . B 1926 . HG# parsed_2n9b 1
17 1 1 . . . . . . . . B 1888 . HA parsed_2n9b 1
17 1 2 . . . . . . . . A 947 . HG# parsed_2n9b 1
18 1 1 . . . . . . . . A 888 . HA parsed_2n9b 1
18 1 2 . . . . . . . . B 1947 . HG# parsed_2n9b 1
19 1 1 . . . . . . . . A 912 . HB# parsed_2n9b 1
19 1 2 . . . . . . . . B 1926 . HG# parsed_2n9b 1
20 1 1 . . . . . . . . B 1912 . HB# parsed_2n9b 1
20 1 2 . . . . . . . . A 926 . HG# parsed_2n9b 1
21 1 1 . . . . . . . . A 905 . HA parsed_2n9b 1
21 1 2 . . . . . . . . B 1929 . HD# parsed_2n9b 1
22 1 1 . . . . . . . . B 1905 . HA parsed_2n9b 1
22 1 2 . . . . . . . . A 929 . HD# parsed_2n9b 1
23 1 1 . . . . . . . . A 922 . HB# parsed_2n9b 1
23 1 2 . . . . . . . . B 1912 . HD# parsed_2n9b 1
24 1 1 . . . . . . . . B 1922 . HB# parsed_2n9b 1
24 1 2 . . . . . . . . A 912 . HD# parsed_2n9b 1
25 1 1 . . . . . . . . A 889 . HN parsed_2n9b 1
25 1 2 . . . . . . . . B 1947 . HG# parsed_2n9b 1
26 1 1 . . . . . . . . B 1889 . HN parsed_2n9b 1
26 1 2 . . . . . . . . A 947 . HG# parsed_2n9b 1
27 1 1 . . . . . . . . A 905 . HA parsed_2n9b 1
27 1 2 . . . . . . . . B 1926 . HG# parsed_2n9b 1
28 1 1 . . . . . . . . B 1905 . HA parsed_2n9b 1
28 1 2 . . . . . . . . A 926 . HG# parsed_2n9b 1
29 1 1 . . . . . . . . A 911 . HB# parsed_2n9b 1
29 1 2 . . . . . . . . B 1926 . HG# parsed_2n9b 1
30 1 1 . . . . . . . . B 1911 . HB# parsed_2n9b 1
30 1 2 . . . . . . . . A 926 . HG# parsed_2n9b 1
31 1 1 . . . . . . . . B 1911 . HB# parsed_2n9b 1
31 1 2 . . . . . . . . A 922 . HD# parsed_2n9b 1
32 1 1 . . . . . . . . A 911 . HB# parsed_2n9b 1
32 1 2 . . . . . . . . B 1922 . HD# parsed_2n9b 1
33 1 1 . . . . . . . . A 944 . HA parsed_2n9b 1
33 1 2 . . . . . . . . B 1895 . HG# parsed_2n9b 1
34 1 1 . . . . . . . . B 1944 . HA parsed_2n9b 1
34 1 2 . . . . . . . . A 895 . HG# parsed_2n9b 1
35 1 1 . . . . . . . . A 905 . HE# parsed_2n9b 1
35 1 2 . . . . . . . . B 1930 . HD# parsed_2n9b 1
36 1 1 . . . . . . . . B 1905 . HE# parsed_2n9b 1
36 1 2 . . . . . . . . A 930 . HD# parsed_2n9b 1
37 1 1 . . . . . . . . A 904 . HB# parsed_2n9b 1
37 1 2 . . . . . . . . B 1929 . HD# parsed_2n9b 1
38 1 1 . . . . . . . . B 1904 . HB# parsed_2n9b 1
38 1 2 . . . . . . . . A 929 . HD# parsed_2n9b 1
39 1 1 . . . . . . . . A 943 . HD# parsed_2n9b 1
39 1 2 . . . . . . . . B 1887 . HG# parsed_2n9b 1
40 1 1 . . . . . . . . B 1943 . HD# parsed_2n9b 1
40 1 2 . . . . . . . . A 887 . HG# parsed_2n9b 1
41 1 1 . . . . . . . . B 1926 . HB parsed_2n9b 1
41 1 2 . . . . . . . . A 908 . HB# parsed_2n9b 1
42 1 1 . . . . . . . . A 926 . HB parsed_2n9b 1
42 1 2 . . . . . . . . B 1908 . HB# parsed_2n9b 1
43 1 1 . . . . . . . . B 1929 . HB# parsed_2n9b 1
43 1 2 . . . . . . . . A 905 . HD# parsed_2n9b 1
44 1 1 . . . . . . . . A 929 . HB# parsed_2n9b 1
44 1 2 . . . . . . . . B 1905 . HD# parsed_2n9b 1
45 1 1 . . . . . . . . A 944 . HD# parsed_2n9b 1
45 1 2 . . . . . . . . B 1894 . HB# parsed_2n9b 1
46 1 1 . . . . . . . . B 1944 . HD# parsed_2n9b 1
46 1 2 . . . . . . . . A 894 . HB# parsed_2n9b 1
47 1 1 . . . . . . . . B 1929 . HB# parsed_2n9b 1
47 1 2 . . . . . . . . A 905 . HG# parsed_2n9b 1
48 1 1 . . . . . . . . A 929 . HB# parsed_2n9b 1
48 1 2 . . . . . . . . B 1905 . HG# parsed_2n9b 1
49 1 1 . . . . . . . . A 887 . HB# parsed_2n9b 1
49 1 2 . . . . . . . . B 1947 . HG# parsed_2n9b 1
50 1 1 . . . . . . . . B 1887 . HB# parsed_2n9b 1
50 1 2 . . . . . . . . A 947 . HG# parsed_2n9b 1
51 1 1 . . . . . . . . A 933 . HB# parsed_2n9b 1
51 1 2 . . . . . . . . B 1905 . HB# parsed_2n9b 1
52 1 1 . . . . . . . . B 1933 . HB# parsed_2n9b 1
52 1 2 . . . . . . . . A 905 . HB# parsed_2n9b 1
53 1 1 . . . . . . . . A 905 . HB# parsed_2n9b 1
53 1 2 . . . . . . . . B 1926 . HG# parsed_2n9b 1
54 1 1 . . . . . . . . B 1905 . HB# parsed_2n9b 1
54 1 2 . . . . . . . . A 926 . HG# parsed_2n9b 1
55 1 1 . . . . . . . . B 1922 . HG parsed_2n9b 1
55 1 2 . . . . . . . . A 912 . HD# parsed_2n9b 1
56 1 1 . . . . . . . . A 922 . HG parsed_2n9b 1
56 1 2 . . . . . . . . B 1912 . HD# parsed_2n9b 1
57 1 1 . . . . . . . . A 895 . HG# parsed_2n9b 1
57 1 2 . . . . . . . . B 1944 . HG# parsed_2n9b 1
58 1 1 . . . . . . . . B 1895 . HG# parsed_2n9b 1
58 1 2 . . . . . . . . A 944 . HG# parsed_2n9b 1
59 1 1 . . . . . . . . A 891 . HG1# parsed_2n9b 1
59 1 2 . . . . . . . . B 1947 . HG# parsed_2n9b 1
60 1 1 . . . . . . . . B 1891 . HG1# parsed_2n9b 1
60 1 2 . . . . . . . . A 947 . HG# parsed_2n9b 1
61 1 1 . . . . . . . . A 905 . HD# parsed_2n9b 1
61 1 2 . . . . . . . . B 1930 . HG parsed_2n9b 1
62 1 1 . . . . . . . . B 1905 . HD# parsed_2n9b 1
62 1 2 . . . . . . . . A 930 . HG parsed_2n9b 1
63 1 1 . . . . . . . . B 1940 . HB parsed_2n9b 1
63 1 2 . . . . . . . . A 894 . HB# parsed_2n9b 1
64 1 1 . . . . . . . . A 940 . HB parsed_2n9b 1
64 1 2 . . . . . . . . B 1894 . HB# parsed_2n9b 1
65 1 1 . . . . . . . . A 894 . HB# parsed_2n9b 1
65 1 2 . . . . . . . . B 1940 . HG# parsed_2n9b 1
66 1 1 . . . . . . . . B 1894 . HB# parsed_2n9b 1
66 1 2 . . . . . . . . A 940 . HG# parsed_2n9b 1
67 1 1 . . . . . . . . A 919 . HG# parsed_2n9b 1
67 1 2 . . . . . . . . B 1919 . HG# parsed_2n9b 1
68 1 1 . . . . . . . . A 947 . HG# parsed_2n9b 1
68 1 2 . . . . . . . . B 1887 . HG# parsed_2n9b 1
69 1 1 . . . . . . . . B 1947 . HG# parsed_2n9b 1
69 1 2 . . . . . . . . A 887 . HG# parsed_2n9b 1
70 1 1 . . . . . . . . B 1940 . HG# parsed_2n9b 1
70 1 2 . . . . . . . . A 898 . HD1# parsed_2n9b 1
71 1 1 . . . . . . . . A 940 . HG# parsed_2n9b 1
71 1 2 . . . . . . . . B 1898 . HD1# parsed_2n9b 1
72 1 1 . . . . . . . . B 1947 . HG# parsed_2n9b 1
72 1 2 . . . . . . . . A 891 . HG2# parsed_2n9b 1
73 1 1 . . . . . . . . A 947 . HG# parsed_2n9b 1
73 1 2 . . . . . . . . B 1891 . HG2# parsed_2n9b 1
74 1 1 . . . . . . . . A 947 . HG# parsed_2n9b 1
74 1 2 . . . . . . . . B 1891 . HD1# parsed_2n9b 1
75 1 1 . . . . . . . . B 1947 . HG# parsed_2n9b 1
75 1 2 . . . . . . . . A 891 . HD1# parsed_2n9b 1
76 1 1 . . . . . . . . A 947 . HG# parsed_2n9b 1
76 1 2 . . . . . . . . B 1892 . HD# parsed_2n9b 1
77 1 1 . . . . . . . . B 1947 . HG# parsed_2n9b 1
77 1 2 . . . . . . . . A 892 . HD# parsed_2n9b 1
78 1 1 . . . . . . . . A 926 . HG# parsed_2n9b 1
78 1 2 . . . . . . . . B 1912 . HD# parsed_2n9b 1
79 1 1 . . . . . . . . B 1926 . HG# parsed_2n9b 1
79 1 2 . . . . . . . . A 912 . HD# parsed_2n9b 1
80 1 1 . . . . . . . . A 944 . HB# parsed_2n9b 1
80 1 2 . . . . . . . . B 1891 . HG2# parsed_2n9b 1
81 1 1 . . . . . . . . B 1944 . HB# parsed_2n9b 1
81 1 2 . . . . . . . . A 891 . HG2# parsed_2n9b 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 . . . . . 5 1.8 6.0 parsed_2n9b 1
2 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
3 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
4 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
5 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
6 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
7 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
8 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
9 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
10 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
11 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
12 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
13 1 . . . . . 3.7 1.8 5.0 parsed_2n9b 1
14 1 . . . . . 3.7 1.8 5.0 parsed_2n9b 1
15 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
16 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
17 1 . . . . . 3.7 1.8 5.0 parsed_2n9b 1
18 1 . . . . . 3.7 1.8 5.0 parsed_2n9b 1
19 1 . . . . . 3.7 1.8 5.0 parsed_2n9b 1
20 1 . . . . . 3.7 1.8 5.0 parsed_2n9b 1
21 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
22 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
23 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
24 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
25 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
26 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
27 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
28 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
29 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
30 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
31 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
32 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
33 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
34 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
35 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
36 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
37 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
38 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
39 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
40 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
41 1 . . . . . 3.7 1.8 5.0 parsed_2n9b 1
42 1 . . . . . 3.7 1.8 5.0 parsed_2n9b 1
43 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
44 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
45 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
46 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
47 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
48 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
49 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
50 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
51 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
52 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
53 1 . . . . . 3.7 1.8 5.0 parsed_2n9b 1
54 1 . . . . . 3.7 1.8 5.0 parsed_2n9b 1
55 1 . . . . . 3.7 1.8 5.0 parsed_2n9b 1
56 1 . . . . . 3.7 1.8 5.0 parsed_2n9b 1
57 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
58 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
59 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
60 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
61 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
62 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
63 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
64 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
65 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
66 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
67 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
68 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
69 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
70 1 . . . . . 2.7 1.8 3.7 parsed_2n9b 1
71 1 . . . . . 2.7 1.8 3.7 parsed_2n9b 1
72 1 . . . . . 2.7 1.8 3.7 parsed_2n9b 1
73 1 . . . . . 2.7 1.8 3.7 parsed_2n9b 1
74 1 . . . . . 3.7 1.8 5.0 parsed_2n9b 1
75 1 . . . . . 3.7 1.8 5.0 parsed_2n9b 1
76 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
77 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
78 1 . . . . . 2.7 1.8 3.7 parsed_2n9b 1
79 1 . . . . . 2.7 1.8 3.7 parsed_2n9b 1
80 1 . . . . . 5 1.8 6.0 parsed_2n9b 1
81 1 . . . . . 5 1.8 6.0 parsed_2n9b 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 "peak 10404 weight 1.00000E+00 volume 4.04721E+07 ppm1 4.061 ppm2 4.365" 2 60 2 144 parsed_2n9b 1
2 "peak 10404 weight 1.00000E+00 volume 4.04721E+07 ppm1 4.061 ppm2 4.365" 4 60 4 144 parsed_2n9b 1
3 "peak 10459 weight 1.00000E+00 volume 7.42102E+07 ppm1 2.941 ppm2 4.211" 6 60 6 144 parsed_2n9b 1
4 "peak 10459 weight 1.00000E+00 volume 7.42102E+07 ppm1 2.941 ppm2 4.211" 8 60 8 144 parsed_2n9b 1
5 "peak 10818 weight 1.00000E+00 volume 1.32973E+07 ppm1 4.113 ppm2 3.266" 10 60 10 144 parsed_2n9b 1
6 "peak 10818 weight 1.00000E+00 volume 1.32973E+07 ppm1 4.113 ppm2 3.266" 12 60 12 144 parsed_2n9b 1
7 "peak 10964 weight 1.00000E+00 volume 1.34240E+07 ppm1 4.238 ppm2 2.944" 14 60 14 144 parsed_2n9b 1
8 "peak 10964 weight 1.00000E+00 volume 1.34240E+07 ppm1 4.238 ppm2 2.944" 16 60 16 144 parsed_2n9b 1
9 "peak 11369 weight 1.00000E+00 volume 7.02307E+07 ppm1 4.080 ppm2 1.638" 18 60 18 144 parsed_2n9b 1
10 "peak 11369 weight 1.00000E+00 volume 7.02307E+07 ppm1 4.080 ppm2 1.638" 20 60 20 144 parsed_2n9b 1
11 "peak 11450 weight 1.00000E+00 volume 2.44593E+07 ppm1 3.536 ppm2 1.362" 22 60 22 144 parsed_2n9b 1
12 "peak 11450 weight 1.00000E+00 volume 2.44593E+07 ppm1 3.536 ppm2 1.362" 24 60 24 144 parsed_2n9b 1
13 "peak 11463 weight 1.00000E+00 volume 1.75865E+08 ppm1 2.869 ppm2 1.343" 26 64 26 148 parsed_2n9b 1
14 "peak 11463 weight 1.00000E+00 volume 1.75865E+08 ppm1 2.869 ppm2 1.343" 28 64 28 148 parsed_2n9b 1
15 "peak 11508 weight 1.00000E+00 volume 3.97538E+07 ppm1 3.042 ppm2 1.027" 30 58 30 142 parsed_2n9b 1
16 "peak 11508 weight 1.00000E+00 volume 3.97538E+07 ppm1 3.042 ppm2 1.027" 32 58 32 142 parsed_2n9b 1
17 "peak 11511 weight 1.00000E+00 volume 3.26718E+08 ppm1 3.783 ppm2 1.011" 34 62 34 146 parsed_2n9b 1
18 "peak 11511 weight 1.00000E+00 volume 3.26718E+08 ppm1 3.783 ppm2 1.011" 36 62 36 146 parsed_2n9b 1
19 "peak 11597 weight 1.00000E+00 volume 2.28013E+08 ppm1 1.688 ppm2 0.914" 38 62 38 146 parsed_2n9b 1
20 "peak 11597 weight 1.00000E+00 volume 2.28013E+08 ppm1 1.688 ppm2 0.914" 40 62 40 146 parsed_2n9b 1
21 "peak 11607 weight 1.00000E+00 volume 4.83117E+07 ppm1 4.372 ppm2 0.894" 42 58 42 142 parsed_2n9b 1
22 "peak 11607 weight 1.00000E+00 volume 4.83117E+07 ppm1 4.372 ppm2 0.894" 44 58 44 142 parsed_2n9b 1
23 "peak 11619 weight 1.00000E+00 volume 3.62575E+07 ppm1 1.336 ppm2 0.896" 46 58 46 142 parsed_2n9b 1
24 "peak 11619 weight 1.00000E+00 volume 3.62575E+07 ppm1 1.336 ppm2 0.896" 48 58 48 142 parsed_2n9b 1
25 "peak 12024 weight 1.00000E+00 volume 2.02853E+07 ppm1 0.894 ppm2 8.092" 50 58 50 142 parsed_2n9b 1
26 "peak 12024 weight 1.00000E+00 volume 2.02853E+07 ppm1 0.894 ppm2 8.092" 52 58 52 142 parsed_2n9b 1
27 "peak 12887 weight 1.00000E+00 volume 1.27340E+07 ppm1 1.001 ppm2 4.372" 54 58 54 142 parsed_2n9b 1
28 "peak 12887 weight 1.00000E+00 volume 1.27340E+07 ppm1 1.001 ppm2 4.372" 56 58 56 142 parsed_2n9b 1
29 "peak 13144 weight 1.00000E+00 volume 4.28477E+07 ppm1 1.062 ppm2 4.011" 58 58 58 142 parsed_2n9b 1
30 "peak 13144 weight 1.00000E+00 volume 4.28477E+07 ppm1 1.062 ppm2 4.011" 60 58 60 142 parsed_2n9b 1
31 "peak 13146 weight 1.00000E+00 volume 5.79568E+07 ppm1 0.948 ppm2 4.008" 62 58 62 142 parsed_2n9b 1
32 "peak 13146 weight 1.00000E+00 volume 5.79568E+07 ppm1 0.948 ppm2 4.008" 64 58 64 142 parsed_2n9b 1
33 "peak 13228 weight 1.00000E+00 volume 2.30871E+07 ppm1 2.161 ppm2 3.823" 66 60 66 144 parsed_2n9b 1
34 "peak 13228 weight 1.00000E+00 volume 2.30871E+07 ppm1 2.161 ppm2 3.823" 68 60 68 144 parsed_2n9b 1
35 "peak 13613 weight 1.00000E+00 volume 8.69373E+07 ppm1 0.937 ppm2 2.962" 70 58 70 142 parsed_2n9b 1
36 "peak 13613 weight 1.00000E+00 volume 8.69373E+07 ppm1 0.937 ppm2 2.962" 72 58 72 142 parsed_2n9b 1
37 "peak 13800 weight 1.00000E+00 volume 3.60562E+07 ppm1 0.851 ppm2 2.668" 74 58 74 142 parsed_2n9b 1
38 "peak 13800 weight 1.00000E+00 volume 3.60562E+07 ppm1 0.851 ppm2 2.668" 76 58 76 142 parsed_2n9b 1
39 "peak 13990 weight 1.00000E+00 volume 7.57754E+07 ppm1 0.950 ppm2 2.390" 78 60 78 144 parsed_2n9b 1
40 "peak 13990 weight 1.00000E+00 volume 7.57754E+07 ppm1 0.950 ppm2 2.390" 80 60 80 144 parsed_2n9b 1
41 "peak 14063 weight 1.00000E+00 volume 3.49256E+08 ppm1 2.139 ppm2 2.264" 82 64 82 148 parsed_2n9b 1
42 "peak 14063 weight 1.00000E+00 volume 3.49256E+08 ppm1 2.139 ppm2 2.264" 84 64 84 148 parsed_2n9b 1
43 "peak 14228 weight 1.00000E+00 volume 8.13944E+07 ppm1 1.638 ppm2 2.110" 86 60 86 144 parsed_2n9b 1
44 "peak 14228 weight 1.00000E+00 volume 8.13944E+07 ppm1 1.638 ppm2 2.110" 88 60 88 144 parsed_2n9b 1
45 "peak 14229 weight 1.00000E+00 volume 2.75220E+07 ppm1 1.562 ppm2 2.113" 90 60 90 144 parsed_2n9b 1
46 "peak 14229 weight 1.00000E+00 volume 2.75220E+07 ppm1 1.562 ppm2 2.113" 92 60 92 144 parsed_2n9b 1
47 "peak 14234 weight 1.00000E+00 volume 5.75888E+07 ppm1 1.429 ppm2 2.112" 94 60 94 144 parsed_2n9b 1
48 "peak 14234 weight 1.00000E+00 volume 5.75888E+07 ppm1 1.429 ppm2 2.112" 96 60 96 144 parsed_2n9b 1
49 "peak 14391 weight 1.00000E+00 volume 6.13310E+07 ppm1 0.937 ppm2 1.986" 98 58 98 142 parsed_2n9b 1
50 "peak 14391 weight 1.00000E+00 volume 6.13310E+07 ppm1 0.937 ppm2 1.986" 100 58 100 142 parsed_2n9b 1
51 "peak 14410 weight 1.00000E+00 volume 1.44596E+07 ppm1 2.770 ppm2 1.948" 102 60 102 144 parsed_2n9b 1
52 "peak 14410 weight 1.00000E+00 volume 1.44596E+07 ppm1 2.770 ppm2 1.948" 104 60 104 144 parsed_2n9b 1
53 "peak 14429 weight 1.00000E+00 volume 9.95811E+07 ppm1 0.906 ppm2 1.937" 106 62 106 146 parsed_2n9b 1
54 "peak 14429 weight 1.00000E+00 volume 9.95811E+07 ppm1 0.906 ppm2 1.937" 108 62 108 146 parsed_2n9b 1
55 "peak 14486 weight 1.00000E+00 volume 2.80943E+08 ppm1 0.899 ppm2 1.881" 110 62 110 146 parsed_2n9b 1
56 "peak 14486 weight 1.00000E+00 volume 2.80943E+08 ppm1 0.899 ppm2 1.881" 112 62 112 146 parsed_2n9b 1
57 "peak 14525 weight 1.00000E+00 volume 4.85363E+07 ppm1 2.168 ppm2 1.800" 114 60 114 144 parsed_2n9b 1
58 "peak 14525 weight 1.00000E+00 volume 4.85363E+07 ppm1 2.168 ppm2 1.800" 116 60 116 144 parsed_2n9b 1
59 "peak 14602 weight 1.00000E+00 volume 5.47096E+07 ppm1 0.933 ppm2 1.745" 118 58 118 142 parsed_2n9b 1
60 "peak 14602 weight 1.00000E+00 volume 5.47096E+07 ppm1 0.933 ppm2 1.745" 120 58 120 142 parsed_2n9b 1
61 "peak 14720 weight 1.00000E+00 volume 3.31458E+07 ppm1 0.860 ppm2 1.619" 122 60 122 144 parsed_2n9b 1
62 "peak 14720 weight 1.00000E+00 volume 3.31458E+07 ppm1 0.860 ppm2 1.619" 124 60 124 144 parsed_2n9b 1
63 "peak 14922 weight 1.00000E+00 volume 1.24639E+07 ppm1 2.110 ppm2 1.344" 126 60 126 144 parsed_2n9b 1
64 "peak 14922 weight 1.00000E+00 volume 1.24639E+07 ppm1 2.110 ppm2 1.344" 128 60 128 144 parsed_2n9b 1
65 "peak 14957 weight 1.00000E+00 volume 9.17839E+07 ppm1 0.891 ppm2 1.337" 130 58 130 142 parsed_2n9b 1
66 "peak 14957 weight 1.00000E+00 volume 9.17839E+07 ppm1 0.891 ppm2 1.337" 132 58 132 142 parsed_2n9b 1
67 "peak 14984 weight 1.00000E+00 volume 6.80075E+07 ppm1 1.441 ppm2 1.303" 134 60 134 144 parsed_2n9b 1
68 "peak 15076 weight 1.00000E+00 volume 3.90300E+07 ppm1 2.333 ppm2 1.013" 136 60 136 144 parsed_2n9b 1
69 "peak 15076 weight 1.00000E+00 volume 3.90300E+07 ppm1 2.333 ppm2 1.013" 138 60 138 144 parsed_2n9b 1
70 "peak 15089 weight 1.00000E+00 volume 9.45978E+08 ppm1 1.034 ppm2 1.015" 140 61 140 145 parsed_2n9b 1
71 "peak 15089 weight 1.00000E+00 volume 9.45978E+08 ppm1 1.034 ppm2 1.015" 142 61 142 145 parsed_2n9b 1
72 "peak 15127 weight 1.00000E+00 volume 6.83178E+08 ppm1 0.877 ppm2 0.998" 144 61 144 145 parsed_2n9b 1
73 "peak 15127 weight 1.00000E+00 volume 6.83178E+08 ppm1 0.877 ppm2 0.998" 146 61 146 145 parsed_2n9b 1
74 "peak 15129 weight 1.00000E+00 volume 2.57572E+08 ppm1 0.873 ppm2 0.995" 148 63 148 147 parsed_2n9b 1
75 "peak 15129 weight 1.00000E+00 volume 2.57572E+08 ppm1 0.873 ppm2 0.995" 150 63 150 147 parsed_2n9b 1
76 "peak 15139 weight 1.00000E+00 volume 1.61643E+08 ppm1 0.898 ppm2 0.988" 152 58 152 142 parsed_2n9b 1
77 "peak 15139 weight 1.00000E+00 volume 1.61643E+08 ppm1 0.898 ppm2 0.988" 154 58 154 142 parsed_2n9b 1
78 "peak 15255 weight 1.00000E+00 volume 2.01646E+09 ppm1 0.908 ppm2 0.898" 156 60 156 144 parsed_2n9b 1
79 "peak 15255 weight 1.00000E+00 volume 2.01646E+09 ppm1 0.908 ppm2 0.898" 158 60 158 144 parsed_2n9b 1
80 "peak 15276 weight 1.00000E+00 volume 5.97746E+07 ppm1 1.878 ppm2 0.879" 160 59 160 143 parsed_2n9b 1
81 "peak 15276 weight 1.00000E+00 volume 5.97746E+07 ppm1 1.878 ppm2 0.879" 162 59 162 143 parsed_2n9b 1
stop_
save_
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