NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
633659 |
6h5h   |
34304 | cing | 2-parsed | STAR | entry | full | 278 |
data_6h5h_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6h5h
_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_6h5h 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6h5h
_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 6h5h "Master copy" parsed_6h5h
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6h5h
_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 6h5h.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6h5h 1
1 6h5h.mr . . XPLOR/CNS 2 distance NOE simple 88 parsed_6h5h 1
1 6h5h.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 51 parsed_6h5h 1
1 6h5h.mr . . XPLOR/CNS 4 distance NOE simple 88 parsed_6h5h 1
1 6h5h.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 51 parsed_6h5h 1
1 6h5h.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6h5h 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_6h5h
_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 UNKNOWN FUNCTION 24-JUL-18 6H5H
*TITLE A COMPUTATIONALLY DESIGNED DRP LYASE DOMAIN RECONSTRUCTED FROM TWO
*TITLE 2 HETEROLOGOUS FRAGMENTS
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: POLB4;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;
*SOURCE 3 ORGANISM_TAXID: 32630;
*SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
*SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008
*KEYWDS PROTEIN DESIGN, DRP LYASE DOMAIN, UNKNOWN FUNCTION
*EXPDTA SOLUTION NMR
*NUMMDL 22
*AUTHOR M.ELGAMACY,M.COLES,A.N.LUPAS
*REVDAT 1 12-DEC-18 6H5H 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6h5h
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_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_6h5h 1
2 1 . . . parsed_6h5h 1
3 1 . . . parsed_6h5h 1
4 1 . . . parsed_6h5h 1
5 1 . . . parsed_6h5h 1
6 1 . . . parsed_6h5h 1
7 1 . . . parsed_6h5h 1
8 1 . . . parsed_6h5h 1
9 1 . . . parsed_6h5h 1
10 1 . . . parsed_6h5h 1
11 1 . . . parsed_6h5h 1
12 1 . . . parsed_6h5h 1
13 1 . . . parsed_6h5h 1
14 1 . . . parsed_6h5h 1
15 1 . . . parsed_6h5h 1
16 1 . . . parsed_6h5h 1
17 1 . . . parsed_6h5h 1
18 1 . . . parsed_6h5h 1
19 1 . . . parsed_6h5h 1
20 1 . . . parsed_6h5h 1
21 1 . . . parsed_6h5h 1
22 1 . . . parsed_6h5h 1
23 1 . . . parsed_6h5h 1
24 1 . . . parsed_6h5h 1
25 1 . . . parsed_6h5h 1
26 1 . . . parsed_6h5h 1
27 1 . . . parsed_6h5h 1
28 1 . . . parsed_6h5h 1
29 1 . . . parsed_6h5h 1
30 1 . . . parsed_6h5h 1
31 1 . . . parsed_6h5h 1
32 1 . . . parsed_6h5h 1
33 1 . . . parsed_6h5h 1
34 1 . . . parsed_6h5h 1
35 1 . . . parsed_6h5h 1
36 1 . . . parsed_6h5h 1
37 1 . . . parsed_6h5h 1
38 1 . . . parsed_6h5h 1
39 1 . . . parsed_6h5h 1
40 1 . . . parsed_6h5h 1
41 1 . . . parsed_6h5h 1
42 1 . . . parsed_6h5h 1
43 1 . . . parsed_6h5h 1
44 1 . . . parsed_6h5h 1
45 1 . . . parsed_6h5h 1
46 1 . . . parsed_6h5h 1
47 1 . . . parsed_6h5h 1
48 1 . . . parsed_6h5h 1
49 1 . . . parsed_6h5h 1
50 1 . . . parsed_6h5h 1
51 1 . . . parsed_6h5h 1
52 1 . . . parsed_6h5h 1
53 1 . . . parsed_6h5h 1
54 1 . . . parsed_6h5h 1
55 1 . . . parsed_6h5h 1
56 1 . . . parsed_6h5h 1
57 1 . . . parsed_6h5h 1
58 1 . . . parsed_6h5h 1
59 1 . . . parsed_6h5h 1
60 1 . . . parsed_6h5h 1
61 1 . . . parsed_6h5h 1
62 1 . . . parsed_6h5h 1
63 1 . . . parsed_6h5h 1
64 1 . . . parsed_6h5h 1
65 1 . . . parsed_6h5h 1
66 1 . . . parsed_6h5h 1
67 1 . . . parsed_6h5h 1
68 1 . . . parsed_6h5h 1
69 1 . . . parsed_6h5h 1
70 1 . . . parsed_6h5h 1
71 1 . . . parsed_6h5h 1
72 1 . . . parsed_6h5h 1
73 1 . . . parsed_6h5h 1
74 1 . . . parsed_6h5h 1
75 1 . . . parsed_6h5h 1
76 1 . . . parsed_6h5h 1
77 1 . . . parsed_6h5h 1
78 1 . . . parsed_6h5h 1
79 1 . . . parsed_6h5h 1
80 1 . . . parsed_6h5h 1
81 1 . . . parsed_6h5h 1
82 1 . . . parsed_6h5h 1
83 1 . . . parsed_6h5h 1
84 1 . . . parsed_6h5h 1
85 1 . . . parsed_6h5h 1
86 1 . . . parsed_6h5h 1
87 1 . . . parsed_6h5h 1
88 1 . . . parsed_6h5h 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 . . . . . . . . . 5 . HN parsed_6h5h 1
1 1 2 . . . . . . . . . 2 . HG2+ parsed_6h5h 1
2 1 1 . . . . . . . . . 23 . HD21 parsed_6h5h 1
2 1 2 . . . . . . . . . 21 . HG2+ parsed_6h5h 1
3 1 1 . . . . . . . . . 23 . HD21 parsed_6h5h 1
3 1 2 . . . . . . . . . 18 . HB+ parsed_6h5h 1
4 1 1 . . . . . . . . . 23 . HD21 parsed_6h5h 1
4 1 2 . . . . . . . . . 26 . HB+ parsed_6h5h 1
5 1 1 . . . . . . . . . 27 . HB+ parsed_6h5h 1
5 1 2 . . . . . . . . . 31 . HD2 parsed_6h5h 1
6 1 1 . . . . . . . . . 27 . HB+ parsed_6h5h 1
6 1 2 . . . . . . . . . 31 . HE2 parsed_6h5h 1
7 1 1 . . . . . . . . . 40 . HD2 parsed_6h5h 1
7 1 2 . . . . . . . . . 44 . HD1+ parsed_6h5h 1
8 1 1 . . . . . . . . . 40 . HE2 parsed_6h5h 1
8 1 2 . . . . . . . . . 44 . HD1+ parsed_6h5h 1
9 1 1 . . . . . . . . . 53 . HB2 parsed_6h5h 1
9 1 2 . . . . . . . . . 56 . HG2+ parsed_6h5h 1
10 1 1 . . . . . . . . . 4 . HD22 parsed_6h5h 1
10 1 2 . . . . . . . . . 40 . HD2 parsed_6h5h 1
11 1 1 . . . . . . . . . 4 . HD22 parsed_6h5h 1
11 1 2 . . . . . . . . . 43 . HA parsed_6h5h 1
12 1 1 . . . . . . . . . 4 . HD22 parsed_6h5h 1
12 1 2 . . . . . . . . . 44 . HN parsed_6h5h 1
13 1 1 . . . . . . . . . 4 . HD22 parsed_6h5h 1
13 1 2 . . . . . . . . . 44 . HG11 parsed_6h5h 1
14 1 1 . . . . . . . . . 7 . HB1 parsed_6h5h 1
14 1 2 . . . . . . . . . 37 . HD1+ parsed_6h5h 1
15 1 1 . . . . . . . . . 7 . HB2 parsed_6h5h 1
15 1 2 . . . . . . . . . 37 . HD1+ parsed_6h5h 1
16 1 1 . . . . . . . . . 7 . HD2+ parsed_6h5h 1
16 1 2 . . . . . . . . . 67 . HB1 parsed_6h5h 1
17 1 1 . . . . . . . . . 8 . HG1+ parsed_6h5h 1
17 1 2 . . . . . . . . . 34 . HB+ parsed_6h5h 1
18 1 1 . . . . . . . . . 8 . HG1+ parsed_6h5h 1
18 1 2 . . . . . . . . . 38 . HB2 parsed_6h5h 1
19 1 1 . . . . . . . . . 8 . HG2+ parsed_6h5h 1
19 1 2 . . . . . . . . . 34 . HA parsed_6h5h 1
20 1 1 . . . . . . . . . 10 . HE+ parsed_6h5h 1
20 1 2 . . . . . . . . . 64 . HA parsed_6h5h 1
21 1 1 . . . . . . . . . 10 . HE+ parsed_6h5h 1
21 1 2 . . . . . . . . . 67 . HD2 parsed_6h5h 1
22 1 1 . . . . . . . . . 12 . HN parsed_6h5h 1
22 1 2 . . . . . . . . . 34 . HB+ parsed_6h5h 1
23 1 1 . . . . . . . . . 14 . HB2 parsed_6h5h 1
23 1 2 . . . . . . . . . 30 . HD2 parsed_6h5h 1
24 1 1 . . . . . . . . . 15 . HN parsed_6h5h 1
24 1 2 . . . . . . . . . 30 . HB+ parsed_6h5h 1
25 1 1 . . . . . . . . . 15 . HN parsed_6h5h 1
25 1 2 . . . . . . . . . 30 . HD1 parsed_6h5h 1
26 1 1 . . . . . . . . . 15 . HA1 parsed_6h5h 1
26 1 2 . . . . . . . . . 30 . HD1 parsed_6h5h 1
27 1 1 . . . . . . . . . 15 . HA2 parsed_6h5h 1
27 1 2 . . . . . . . . . 30 . HD1 parsed_6h5h 1
28 1 1 . . . . . . . . . 15 . HA1 parsed_6h5h 1
28 1 2 . . . . . . . . . 27 . HA parsed_6h5h 1
29 1 1 . . . . . . . . . 15 . HA2 parsed_6h5h 1
29 1 2 . . . . . . . . . 27 . HA parsed_6h5h 1
30 1 1 . . . . . . . . . 16 . HN parsed_6h5h 1
30 1 2 . . . . . . . . . 31 . HE1 parsed_6h5h 1
31 1 1 . . . . . . . . . 18 . HN parsed_6h5h 1
31 1 2 . . . . . . . . . 27 . HA parsed_6h5h 1
32 1 1 . . . . . . . . . 18 . HB+ parsed_6h5h 1
32 1 2 . . . . . . . . . 26 . HB+ parsed_6h5h 1
33 1 1 . . . . . . . . . 18 . HB+ parsed_6h5h 1
33 1 2 . . . . . . . . . 27 . HA parsed_6h5h 1
34 1 1 . . . . . . . . . 19 . HN parsed_6h5h 1
34 1 2 . . . . . . . . . 27 . HB+ parsed_6h5h 1
35 1 1 . . . . . . . . . 26 . HN parsed_6h5h 1
35 1 2 . . . . . . . . . 18 . HB+ parsed_6h5h 1
36 1 1 . . . . . . . . . 29 . HB1 parsed_6h5h 1
36 1 2 . . . . . . . . . 60 . HD1+ parsed_6h5h 1
37 1 1 . . . . . . . . . 30 . HN parsed_6h5h 1
37 1 2 . . . . . . . . . 60 . HD1+ parsed_6h5h 1
38 1 1 . . . . . . . . . 30 . HD1 parsed_6h5h 1
38 1 2 . . . . . . . . . 15 . HA2 parsed_6h5h 1
39 1 1 . . . . . . . . . 30 . HD1 parsed_6h5h 1
39 1 2 . . . . . . . . . 18 . HB+ parsed_6h5h 1
40 1 1 . . . . . . . . . 30 . HD2 parsed_6h5h 1
40 1 2 . . . . . . . . . 60 . HD1+ parsed_6h5h 1
41 1 1 . . . . . . . . . 30 . HD2 parsed_6h5h 1
41 1 2 . . . . . . . . . 11 . HD2+ parsed_6h5h 1
42 1 1 . . . . . . . . . 30 . HE2 parsed_6h5h 1
42 1 2 . . . . . . . . . 60 . HA parsed_6h5h 1
43 1 1 . . . . . . . . . 30 . HE2 parsed_6h5h 1
43 1 2 . . . . . . . . . 60 . HD1+ parsed_6h5h 1
44 1 1 . . . . . . . . . 30 . HE2 parsed_6h5h 1
44 1 2 . . . . . . . . . 11 . HD2+ parsed_6h5h 1
45 1 1 . . . . . . . . . 30 . HE1 parsed_6h5h 1
45 1 2 . . . . . . . . . 18 . HB+ parsed_6h5h 1
46 1 1 . . . . . . . . . 30 . HE2 parsed_6h5h 1
46 1 2 . . . . . . . . . 60 . HD1+ parsed_6h5h 1
47 1 1 . . . . . . . . . 31 . HN parsed_6h5h 1
47 1 2 . . . . . . . . . 15 . HA+ parsed_6h5h 1
48 1 1 . . . . . . . . . 33 . HB+ parsed_6h5h 1
48 1 2 . . . . . . . . . 60 . HD1+ parsed_6h5h 1
49 1 1 . . . . . . . . . 34 . HN parsed_6h5h 1
49 1 2 . . . . . . . . . 11 . HD1+ parsed_6h5h 1
50 1 1 . . . . . . . . . 34 . HB+ parsed_6h5h 1
50 1 2 . . . . . . . . . 8 . HA parsed_6h5h 1
51 1 1 . . . . . . . . . 37 . HD1+ parsed_6h5h 1
51 1 2 . . . . . . . . . 4 . HB1 parsed_6h5h 1
52 1 1 . . . . . . . . . 37 . HD1+ parsed_6h5h 1
52 1 2 . . . . . . . . . 8 . HA parsed_6h5h 1
53 1 1 . . . . . . . . . 37 . HD2+ parsed_6h5h 1
53 1 2 . . . . . . . . . 53 . HD1+ parsed_6h5h 1
54 1 1 . . . . . . . . . 38 . HN parsed_6h5h 1
54 1 2 . . . . . . . . . 8 . HG2+ parsed_6h5h 1
55 1 1 . . . . . . . . . 40 . HB2 parsed_6h5h 1
55 1 2 . . . . . . . . . 53 . HD2+ parsed_6h5h 1
56 1 1 . . . . . . . . . 40 . HD2 parsed_6h5h 1
56 1 2 . . . . . . . . . 53 . HD1+ parsed_6h5h 1
57 1 1 . . . . . . . . . 40 . HD1 parsed_6h5h 1
57 1 2 . . . . . . . . . 53 . HD2+ parsed_6h5h 1
58 1 1 . . . . . . . . . 40 . HE1 parsed_6h5h 1
58 1 2 . . . . . . . . . 53 . HD2+ parsed_6h5h 1
59 1 1 . . . . . . . . . 42 . HN parsed_6h5h 1
59 1 2 . . . . . . . . . 3 . HD1+ parsed_6h5h 1
60 1 1 . . . . . . . . . 43 . HN parsed_6h5h 1
60 1 2 . . . . . . . . . 3 . HD2+ parsed_6h5h 1
61 1 1 . . . . . . . . . 44 . HG2+ parsed_6h5h 1
61 1 2 . . . . . . . . . 50 . HA parsed_6h5h 1
62 1 1 . . . . . . . . . 44 . HD1+ parsed_6h5h 1
62 1 2 . . . . . . . . . 50 . HA parsed_6h5h 1
63 1 1 . . . . . . . . . 44 . HD1+ parsed_6h5h 1
63 1 2 . . . . . . . . . 53 . HD1+ parsed_6h5h 1
64 1 1 . . . . . . . . . 46 . HN parsed_6h5h 1
64 1 2 . . . . . . . . . 68 . HD1+ parsed_6h5h 1
65 1 1 . . . . . . . . . 46 . HN parsed_6h5h 1
65 1 2 . . . . . . . . . 64 . HG2+ parsed_6h5h 1
66 1 1 . . . . . . . . . 47 . HN parsed_6h5h 1
66 1 2 . . . . . . . . . 64 . HG2+ parsed_6h5h 1
67 1 1 . . . . . . . . . 47 . HN parsed_6h5h 1
67 1 2 . . . . . . . . . 68 . HD1+ parsed_6h5h 1
68 1 1 . . . . . . . . . 47 . HA1 parsed_6h5h 1
68 1 2 . . . . . . . . . 64 . HG2+ parsed_6h5h 1
69 1 1 . . . . . . . . . 47 . HA2 parsed_6h5h 1
69 1 2 . . . . . . . . . 64 . HG2+ parsed_6h5h 1
70 1 1 . . . . . . . . . 47 . HA1 parsed_6h5h 1
70 1 2 . . . . . . . . . 64 . HB parsed_6h5h 1
71 1 1 . . . . . . . . . 47 . HA2 parsed_6h5h 1
71 1 2 . . . . . . . . . 64 . HB parsed_6h5h 1
72 1 1 . . . . . . . . . 50 . HN parsed_6h5h 1
72 1 2 . . . . . . . . . 44 . HD1+ parsed_6h5h 1
73 1 1 . . . . . . . . . 50 . HN parsed_6h5h 1
73 1 2 . . . . . . . . . 64 . HG2+ parsed_6h5h 1
74 1 1 . . . . . . . . . 50 . HN parsed_6h5h 1
74 1 2 . . . . . . . . . 64 . HD1+ parsed_6h5h 1
75 1 1 . . . . . . . . . 53 . HB1 parsed_6h5h 1
75 1 2 . . . . . . . . . 36 . HG2+ parsed_6h5h 1
76 1 1 . . . . . . . . . 60 . HG2+ parsed_6h5h 1
76 1 2 . . . . . . . . . 33 . HB+ parsed_6h5h 1
77 1 1 . . . . . . . . . 60 . HG2+ parsed_6h5h 1
77 1 2 . . . . . . . . . 30 . HD2 parsed_6h5h 1
78 1 1 . . . . . . . . . 60 . HD1+ parsed_6h5h 1
78 1 2 . . . . . . . . . 30 . HA parsed_6h5h 1
79 1 1 . . . . . . . . . 64 . HA parsed_6h5h 1
79 1 2 . . . . . . . . . 7 . HD2+ parsed_6h5h 1
80 1 1 . . . . . . . . . 64 . HG2+ parsed_6h5h 1
80 1 2 . . . . . . . . . 50 . HB+ parsed_6h5h 1
81 1 1 . . . . . . . . . 64 . HD1+ parsed_6h5h 1
81 1 2 . . . . . . . . . 50 . HB+ parsed_6h5h 1
82 1 1 . . . . . . . . . 64 . HD1+ parsed_6h5h 1
82 1 2 . . . . . . . . . 47 . HA2 parsed_6h5h 1
83 1 1 . . . . . . . . . 65 . HN parsed_6h5h 1
83 1 2 . . . . . . . . . 47 . HA+ parsed_6h5h 1
84 1 1 . . . . . . . . . 67 . HN parsed_6h5h 1
84 1 2 . . . . . . . . . 10 . HE+ parsed_6h5h 1
85 1 1 . . . . . . . . . 67 . HD1 parsed_6h5h 1
85 1 2 . . . . . . . . . 7 . HD1+ parsed_6h5h 1
86 1 1 . . . . . . . . . 67 . HD1 parsed_6h5h 1
86 1 2 . . . . . . . . . 7 . HD2+ parsed_6h5h 1
87 1 1 . . . . . . . . . 67 . HZ parsed_6h5h 1
87 1 2 . . . . . . . . . 6 . HB+ parsed_6h5h 1
88 1 1 . . . . . . . . . 68 . HD1+ parsed_6h5h 1
88 1 2 . . . . . . . . . 45 . HA parsed_6h5h 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 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
2 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
3 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
4 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
5 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
6 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
7 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
8 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
9 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
10 1 . . . . . 0.0 0.0 3.5 parsed_6h5h 1
11 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 1
12 1 . . . . . 0.0 0.0 3.5 parsed_6h5h 1
13 1 . . . . . 0.0 0.0 3.5 parsed_6h5h 1
14 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
15 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
16 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
17 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
18 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
19 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 1
20 1 . . . . . 0.0 0.0 3.5 parsed_6h5h 1
21 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
22 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
23 1 . . . . . 0.0 0.0 4.5 parsed_6h5h 1
24 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
25 1 . . . . . 0.0 0.0 4.5 parsed_6h5h 1
26 1 . . . . . 0.0 0.0 4.5 parsed_6h5h 1
27 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 1
28 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 1
29 1 . . . . . 0.0 0.0 3.5 parsed_6h5h 1
30 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 1
31 1 . . . . . 0.0 0.0 4.5 parsed_6h5h 1
32 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
33 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 1
34 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
35 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
36 1 . . . . . 0.0 0.0 5.3 parsed_6h5h 1
37 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
38 1 . . . . . 0.0 0.0 4.5 parsed_6h5h 1
39 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
40 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
41 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
42 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 1
43 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
44 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
45 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
46 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
47 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
48 1 . . . . . 0.0 0.0 5.0 parsed_6h5h 1
49 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
50 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
51 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
52 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
53 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
54 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
55 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
56 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
57 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
58 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
59 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
60 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
61 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
62 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 1
63 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
64 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
65 1 . . . . . 0.0 0.0 5.8 parsed_6h5h 1
66 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
67 1 . . . . . 0.0 0.0 5.3 parsed_6h5h 1
68 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
69 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
70 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 1
71 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 1
72 1 . . . . . 0.0 0.0 5.3 parsed_6h5h 1
73 1 . . . . . 0.0 0.0 5.3 parsed_6h5h 1
74 1 . . . . . 0.0 0.0 5.3 parsed_6h5h 1
75 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
76 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
77 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
78 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
79 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
80 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
81 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
82 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
83 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
84 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 1
85 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 1
86 1 . . . . . 0.0 0.0 3.5 parsed_6h5h 1
87 1 . . . . . 0.0 0.0 3.5 parsed_6h5h 1
88 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
# Restraints file 1: polb4_distance.txt
### Distance Restraints (n=88)
## Medium Range ( 1 < |i-j| < 6; n=9 )
;
1 1 4 43 parsed_6h5h 1
2 "## Long Range (|i-j| > 5; n=79)" 16 1 16 36 parsed_6h5h 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6h5h
_Distance_constraint_list.ID 2
_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_6h5h 2
2 1 . . . parsed_6h5h 2
3 1 . . . parsed_6h5h 2
4 1 . . . parsed_6h5h 2
5 1 . . . parsed_6h5h 2
6 1 . . . parsed_6h5h 2
7 1 . . . parsed_6h5h 2
8 1 . . . parsed_6h5h 2
9 1 . . . parsed_6h5h 2
10 1 . . . parsed_6h5h 2
11 1 . . . parsed_6h5h 2
12 1 . . . parsed_6h5h 2
13 1 . . . parsed_6h5h 2
14 1 . . . parsed_6h5h 2
15 1 . . . parsed_6h5h 2
16 1 . . . parsed_6h5h 2
17 1 . . . parsed_6h5h 2
18 1 . . . parsed_6h5h 2
19 1 . . . parsed_6h5h 2
20 1 . . . parsed_6h5h 2
21 1 . . . parsed_6h5h 2
22 1 . . . parsed_6h5h 2
23 1 . . . parsed_6h5h 2
24 1 . . . parsed_6h5h 2
25 1 . . . parsed_6h5h 2
26 1 . . . parsed_6h5h 2
27 1 . . . parsed_6h5h 2
28 1 . . . parsed_6h5h 2
29 1 . . . parsed_6h5h 2
30 1 . . . parsed_6h5h 2
31 1 . . . parsed_6h5h 2
32 1 . . . parsed_6h5h 2
33 1 . . . parsed_6h5h 2
34 1 . . . parsed_6h5h 2
35 1 . . . parsed_6h5h 2
36 1 . . . parsed_6h5h 2
37 1 . . . parsed_6h5h 2
38 1 . . . parsed_6h5h 2
39 1 . . . parsed_6h5h 2
40 1 . . . parsed_6h5h 2
41 1 . . . parsed_6h5h 2
42 1 . . . parsed_6h5h 2
43 1 . . . parsed_6h5h 2
44 1 . . . parsed_6h5h 2
45 1 . . . parsed_6h5h 2
46 1 . . . parsed_6h5h 2
47 1 . . . parsed_6h5h 2
48 1 . . . parsed_6h5h 2
49 1 . . . parsed_6h5h 2
50 1 . . . parsed_6h5h 2
51 1 . . . parsed_6h5h 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 . . . . . . . . . 5 . HN parsed_6h5h 2
1 1 2 . . . . . . . . . 2 . O parsed_6h5h 2
2 1 1 . . . . . . . . . 8 . HN parsed_6h5h 2
2 1 2 . . . . . . . . . 4 . O parsed_6h5h 2
3 1 1 . . . . . . . . . 9 . HN parsed_6h5h 2
3 1 2 . . . . . . . . . 5 . O parsed_6h5h 2
4 1 1 . . . . . . . . . 10 . HN parsed_6h5h 2
4 1 2 . . . . . . . . . 6 . O parsed_6h5h 2
5 1 1 . . . . . . . . . 11 . HN parsed_6h5h 2
5 1 2 . . . . . . . . . 7 . O parsed_6h5h 2
6 1 1 . . . . . . . . . 12 . HN parsed_6h5h 2
6 1 2 . . . . . . . . . 8 . O parsed_6h5h 2
7 1 1 . . . . . . . . . 13 . HN parsed_6h5h 2
7 1 2 . . . . . . . . . 9 . O parsed_6h5h 2
8 1 1 . . . . . . . . . 14 . HN parsed_6h5h 2
8 1 2 . . . . . . . . . 10 . O parsed_6h5h 2
9 1 1 . . . . . . . . . 15 . HN parsed_6h5h 2
9 1 2 . . . . . . . . . 11 . O parsed_6h5h 2
10 1 1 . . . . . . . . . 16 . HN parsed_6h5h 2
10 1 2 . . . . . . . . . 12 . O parsed_6h5h 2
11 1 1 . . . . . . . . . 17 . HN parsed_6h5h 2
11 1 2 . . . . . . . . . 13 . O parsed_6h5h 2
12 1 1 . . . . . . . . . 18 . HN parsed_6h5h 2
12 1 2 . . . . . . . . . 14 . O parsed_6h5h 2
13 1 1 . . . . . . . . . 19 . HN parsed_6h5h 2
13 1 2 . . . . . . . . . 15 . O parsed_6h5h 2
14 1 1 . . . . . . . . . 20 . HN parsed_6h5h 2
14 1 2 . . . . . . . . . 16 . O parsed_6h5h 2
15 1 1 . . . . . . . . . 21 . HN parsed_6h5h 2
15 1 2 . . . . . . . . . 17 . O parsed_6h5h 2
16 1 1 . . . . . . . . . 22 . HN parsed_6h5h 2
16 1 2 . . . . . . . . . 19 . O parsed_6h5h 2
17 1 1 . . . . . . . . . 23 . HN parsed_6h5h 2
17 1 2 . . . . . . . . . 18 . O parsed_6h5h 2
18 1 1 . . . . . . . . . 27 . HN parsed_6h5h 2
18 1 2 . . . . . . . . . 23 . O parsed_6h5h 2
19 1 1 . . . . . . . . . 28 . HN parsed_6h5h 2
19 1 2 . . . . . . . . . 24 . O parsed_6h5h 2
20 1 1 . . . . . . . . . 29 . HN parsed_6h5h 2
20 1 2 . . . . . . . . . 25 . O parsed_6h5h 2
21 1 1 . . . . . . . . . 30 . HN parsed_6h5h 2
21 1 2 . . . . . . . . . 26 . O parsed_6h5h 2
22 1 1 . . . . . . . . . 31 . HN parsed_6h5h 2
22 1 2 . . . . . . . . . 27 . O parsed_6h5h 2
23 1 1 . . . . . . . . . 32 . HN parsed_6h5h 2
23 1 2 . . . . . . . . . 28 . O parsed_6h5h 2
24 1 1 . . . . . . . . . 33 . HN parsed_6h5h 2
24 1 2 . . . . . . . . . 29 . O parsed_6h5h 2
25 1 1 . . . . . . . . . 34 . HN parsed_6h5h 2
25 1 2 . . . . . . . . . 30 . O parsed_6h5h 2
26 1 1 . . . . . . . . . 35 . HN parsed_6h5h 2
26 1 2 . . . . . . . . . 31 . O parsed_6h5h 2
27 1 1 . . . . . . . . . 36 . HN parsed_6h5h 2
27 1 2 . . . . . . . . . 32 . O parsed_6h5h 2
28 1 1 . . . . . . . . . 37 . HN parsed_6h5h 2
28 1 2 . . . . . . . . . 33 . O parsed_6h5h 2
29 1 1 . . . . . . . . . 38 . HN parsed_6h5h 2
29 1 2 . . . . . . . . . 34 . O parsed_6h5h 2
30 1 1 . . . . . . . . . 39 . HN parsed_6h5h 2
30 1 2 . . . . . . . . . 35 . O parsed_6h5h 2
31 1 1 . . . . . . . . . 40 . HN parsed_6h5h 2
31 1 2 . . . . . . . . . 36 . O parsed_6h5h 2
32 1 1 . . . . . . . . . 51 . HN parsed_6h5h 2
32 1 2 . . . . . . . . . 47 . O parsed_6h5h 2
33 1 1 . . . . . . . . . 52 . HN parsed_6h5h 2
33 1 2 . . . . . . . . . 49 . O parsed_6h5h 2
34 1 1 . . . . . . . . . 53 . HN parsed_6h5h 2
34 1 2 . . . . . . . . . 50 . O parsed_6h5h 2
35 1 1 . . . . . . . . . 56 . HN parsed_6h5h 2
35 1 2 . . . . . . . . . 53 . O parsed_6h5h 2
36 1 1 . . . . . . . . . 61 . HN parsed_6h5h 2
36 1 2 . . . . . . . . . 57 . O parsed_6h5h 2
37 1 1 . . . . . . . . . 62 . HN parsed_6h5h 2
37 1 2 . . . . . . . . . 58 . O parsed_6h5h 2
38 1 1 . . . . . . . . . 63 . HN parsed_6h5h 2
38 1 2 . . . . . . . . . 59 . O parsed_6h5h 2
39 1 1 . . . . . . . . . 64 . HN parsed_6h5h 2
39 1 2 . . . . . . . . . 60 . O parsed_6h5h 2
40 1 1 . . . . . . . . . 65 . HN parsed_6h5h 2
40 1 2 . . . . . . . . . 61 . O parsed_6h5h 2
41 1 1 . . . . . . . . . 66 . HN parsed_6h5h 2
41 1 2 . . . . . . . . . 62 . O parsed_6h5h 2
42 1 1 . . . . . . . . . 67 . HN parsed_6h5h 2
42 1 2 . . . . . . . . . 63 . O parsed_6h5h 2
43 1 1 . . . . . . . . . 68 . HN parsed_6h5h 2
43 1 2 . . . . . . . . . 64 . O parsed_6h5h 2
44 1 1 . . . . . . . . . 69 . HN parsed_6h5h 2
44 1 2 . . . . . . . . . 65 . O parsed_6h5h 2
45 1 1 . . . . . . . . . 70 . HN parsed_6h5h 2
45 1 2 . . . . . . . . . 66 . O parsed_6h5h 2
46 1 1 . . . . . . . . . 4 . HD21 parsed_6h5h 2
46 1 2 . . . . . . . . . 37 . O parsed_6h5h 2
47 1 1 . . . . . . . . . 4 . HD22 parsed_6h5h 2
47 1 2 . . . . . . . . . 42 . O parsed_6h5h 2
48 1 1 . . . . . . . . . 26 . HN parsed_6h5h 2
48 1 2 . . . . . . . . . 23 . OD1 parsed_6h5h 2
49 1 1 . . . . . . . . . 36 . HG1 parsed_6h5h 2
49 1 2 . . . . . . . . . 54 . O parsed_6h5h 2
50 1 1 . . . . . . . . . 44 . HN parsed_6h5h 2
50 1 2 . . . . . . . . . 4 . OD1 parsed_6h5h 2
51 1 1 . . . . . . . . . 47 . HN parsed_6h5h 2
51 1 2 . . . . . . . . . 65 . OD1 parsed_6h5h 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 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
2 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
3 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
4 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
5 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
6 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
7 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
8 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
9 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
10 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
11 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
12 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
13 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
14 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
15 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
16 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
17 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
18 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
19 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
20 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
21 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
22 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
23 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
24 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
25 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
26 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
27 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
28 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
29 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
30 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
31 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
32 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
33 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
34 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
35 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
36 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
37 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
38 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
39 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
40 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
41 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
42 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
43 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
44 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
45 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
46 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
47 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
48 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
49 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
50 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
51 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 2
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
# Restraints file 2: polb4_hbond.txt
## H-bond (n=51)
# backbone (n=45)
;
1 1 5 23 parsed_6h5h 2
2 "# sidechain (n=6)" 53 1 53 23 parsed_6h5h 2
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6h5h
_Distance_constraint_list.ID 3
_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_6h5h 3
2 1 . . . parsed_6h5h 3
3 1 . . . parsed_6h5h 3
4 1 . . . parsed_6h5h 3
5 1 . . . parsed_6h5h 3
6 1 . . . parsed_6h5h 3
7 1 . . . parsed_6h5h 3
8 1 . . . parsed_6h5h 3
9 1 . . . parsed_6h5h 3
10 1 . . . parsed_6h5h 3
11 1 . . . parsed_6h5h 3
12 1 . . . parsed_6h5h 3
13 1 . . . parsed_6h5h 3
14 1 . . . parsed_6h5h 3
15 1 . . . parsed_6h5h 3
16 1 . . . parsed_6h5h 3
17 1 . . . parsed_6h5h 3
18 1 . . . parsed_6h5h 3
19 1 . . . parsed_6h5h 3
20 1 . . . parsed_6h5h 3
21 1 . . . parsed_6h5h 3
22 1 . . . parsed_6h5h 3
23 1 . . . parsed_6h5h 3
24 1 . . . parsed_6h5h 3
25 1 . . . parsed_6h5h 3
26 1 . . . parsed_6h5h 3
27 1 . . . parsed_6h5h 3
28 1 . . . parsed_6h5h 3
29 1 . . . parsed_6h5h 3
30 1 . . . parsed_6h5h 3
31 1 . . . parsed_6h5h 3
32 1 . . . parsed_6h5h 3
33 1 . . . parsed_6h5h 3
34 1 . . . parsed_6h5h 3
35 1 . . . parsed_6h5h 3
36 1 . . . parsed_6h5h 3
37 1 . . . parsed_6h5h 3
38 1 . . . parsed_6h5h 3
39 1 . . . parsed_6h5h 3
40 1 . . . parsed_6h5h 3
41 1 . . . parsed_6h5h 3
42 1 . . . parsed_6h5h 3
43 1 . . . parsed_6h5h 3
44 1 . . . parsed_6h5h 3
45 1 . . . parsed_6h5h 3
46 1 . . . parsed_6h5h 3
47 1 . . . parsed_6h5h 3
48 1 . . . parsed_6h5h 3
49 1 . . . parsed_6h5h 3
50 1 . . . parsed_6h5h 3
51 1 . . . parsed_6h5h 3
52 1 . . . parsed_6h5h 3
53 1 . . . parsed_6h5h 3
54 1 . . . parsed_6h5h 3
55 1 . . . parsed_6h5h 3
56 1 . . . parsed_6h5h 3
57 1 . . . parsed_6h5h 3
58 1 . . . parsed_6h5h 3
59 1 . . . parsed_6h5h 3
60 1 . . . parsed_6h5h 3
61 1 . . . parsed_6h5h 3
62 1 . . . parsed_6h5h 3
63 1 . . . parsed_6h5h 3
64 1 . . . parsed_6h5h 3
65 1 . . . parsed_6h5h 3
66 1 . . . parsed_6h5h 3
67 1 . . . parsed_6h5h 3
68 1 . . . parsed_6h5h 3
69 1 . . . parsed_6h5h 3
70 1 . . . parsed_6h5h 3
71 1 . . . parsed_6h5h 3
72 1 . . . parsed_6h5h 3
73 1 . . . parsed_6h5h 3
74 1 . . . parsed_6h5h 3
75 1 . . . parsed_6h5h 3
76 1 . . . parsed_6h5h 3
77 1 . . . parsed_6h5h 3
78 1 . . . parsed_6h5h 3
79 1 . . . parsed_6h5h 3
80 1 . . . parsed_6h5h 3
81 1 . . . parsed_6h5h 3
82 1 . . . parsed_6h5h 3
83 1 . . . parsed_6h5h 3
84 1 . . . parsed_6h5h 3
85 1 . . . parsed_6h5h 3
86 1 . . . parsed_6h5h 3
87 1 . . . parsed_6h5h 3
88 1 . . . parsed_6h5h 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 . . . . . . . . . 5 . HN parsed_6h5h 3
1 1 2 . . . . . . . . . 2 . HG2+ parsed_6h5h 3
2 1 1 . . . . . . . . . 23 . HD21 parsed_6h5h 3
2 1 2 . . . . . . . . . 21 . HG2+ parsed_6h5h 3
3 1 1 . . . . . . . . . 23 . HD21 parsed_6h5h 3
3 1 2 . . . . . . . . . 18 . HB+ parsed_6h5h 3
4 1 1 . . . . . . . . . 23 . HD21 parsed_6h5h 3
4 1 2 . . . . . . . . . 26 . HB+ parsed_6h5h 3
5 1 1 . . . . . . . . . 27 . HB+ parsed_6h5h 3
5 1 2 . . . . . . . . . 31 . HD2 parsed_6h5h 3
6 1 1 . . . . . . . . . 27 . HB+ parsed_6h5h 3
6 1 2 . . . . . . . . . 31 . HE2 parsed_6h5h 3
7 1 1 . . . . . . . . . 40 . HD2 parsed_6h5h 3
7 1 2 . . . . . . . . . 44 . HD1+ parsed_6h5h 3
8 1 1 . . . . . . . . . 40 . HE2 parsed_6h5h 3
8 1 2 . . . . . . . . . 44 . HD1+ parsed_6h5h 3
9 1 1 . . . . . . . . . 53 . HB2 parsed_6h5h 3
9 1 2 . . . . . . . . . 56 . HG2+ parsed_6h5h 3
10 1 1 . . . . . . . . . 4 . HD22 parsed_6h5h 3
10 1 2 . . . . . . . . . 40 . HD2 parsed_6h5h 3
11 1 1 . . . . . . . . . 4 . HD22 parsed_6h5h 3
11 1 2 . . . . . . . . . 43 . HA parsed_6h5h 3
12 1 1 . . . . . . . . . 4 . HD22 parsed_6h5h 3
12 1 2 . . . . . . . . . 44 . HN parsed_6h5h 3
13 1 1 . . . . . . . . . 4 . HD22 parsed_6h5h 3
13 1 2 . . . . . . . . . 44 . HG11 parsed_6h5h 3
14 1 1 . . . . . . . . . 7 . HB1 parsed_6h5h 3
14 1 2 . . . . . . . . . 37 . HD1+ parsed_6h5h 3
15 1 1 . . . . . . . . . 7 . HB2 parsed_6h5h 3
15 1 2 . . . . . . . . . 37 . HD1+ parsed_6h5h 3
16 1 1 . . . . . . . . . 7 . HD2+ parsed_6h5h 3
16 1 2 . . . . . . . . . 67 . HB1 parsed_6h5h 3
17 1 1 . . . . . . . . . 8 . HG1+ parsed_6h5h 3
17 1 2 . . . . . . . . . 34 . HB+ parsed_6h5h 3
18 1 1 . . . . . . . . . 8 . HG1+ parsed_6h5h 3
18 1 2 . . . . . . . . . 38 . HB2 parsed_6h5h 3
19 1 1 . . . . . . . . . 8 . HG2+ parsed_6h5h 3
19 1 2 . . . . . . . . . 34 . HA parsed_6h5h 3
20 1 1 . . . . . . . . . 10 . HE+ parsed_6h5h 3
20 1 2 . . . . . . . . . 64 . HA parsed_6h5h 3
21 1 1 . . . . . . . . . 10 . HE+ parsed_6h5h 3
21 1 2 . . . . . . . . . 67 . HD2 parsed_6h5h 3
22 1 1 . . . . . . . . . 12 . HN parsed_6h5h 3
22 1 2 . . . . . . . . . 34 . HB+ parsed_6h5h 3
23 1 1 . . . . . . . . . 14 . HB2 parsed_6h5h 3
23 1 2 . . . . . . . . . 30 . HD2 parsed_6h5h 3
24 1 1 . . . . . . . . . 15 . HN parsed_6h5h 3
24 1 2 . . . . . . . . . 30 . HB+ parsed_6h5h 3
25 1 1 . . . . . . . . . 15 . HN parsed_6h5h 3
25 1 2 . . . . . . . . . 30 . HD1 parsed_6h5h 3
26 1 1 . . . . . . . . . 15 . HA1 parsed_6h5h 3
26 1 2 . . . . . . . . . 30 . HD1 parsed_6h5h 3
27 1 1 . . . . . . . . . 15 . HA2 parsed_6h5h 3
27 1 2 . . . . . . . . . 30 . HD1 parsed_6h5h 3
28 1 1 . . . . . . . . . 15 . HA1 parsed_6h5h 3
28 1 2 . . . . . . . . . 27 . HA parsed_6h5h 3
29 1 1 . . . . . . . . . 15 . HA2 parsed_6h5h 3
29 1 2 . . . . . . . . . 27 . HA parsed_6h5h 3
30 1 1 . . . . . . . . . 16 . HN parsed_6h5h 3
30 1 2 . . . . . . . . . 31 . HE1 parsed_6h5h 3
31 1 1 . . . . . . . . . 18 . HN parsed_6h5h 3
31 1 2 . . . . . . . . . 27 . HA parsed_6h5h 3
32 1 1 . . . . . . . . . 18 . HB+ parsed_6h5h 3
32 1 2 . . . . . . . . . 26 . HB+ parsed_6h5h 3
33 1 1 . . . . . . . . . 18 . HB+ parsed_6h5h 3
33 1 2 . . . . . . . . . 27 . HA parsed_6h5h 3
34 1 1 . . . . . . . . . 19 . HN parsed_6h5h 3
34 1 2 . . . . . . . . . 27 . HB+ parsed_6h5h 3
35 1 1 . . . . . . . . . 26 . HN parsed_6h5h 3
35 1 2 . . . . . . . . . 18 . HB+ parsed_6h5h 3
36 1 1 . . . . . . . . . 29 . HB1 parsed_6h5h 3
36 1 2 . . . . . . . . . 60 . HD1+ parsed_6h5h 3
37 1 1 . . . . . . . . . 30 . HN parsed_6h5h 3
37 1 2 . . . . . . . . . 60 . HD1+ parsed_6h5h 3
38 1 1 . . . . . . . . . 30 . HD1 parsed_6h5h 3
38 1 2 . . . . . . . . . 15 . HA2 parsed_6h5h 3
39 1 1 . . . . . . . . . 30 . HD1 parsed_6h5h 3
39 1 2 . . . . . . . . . 18 . HB+ parsed_6h5h 3
40 1 1 . . . . . . . . . 30 . HD2 parsed_6h5h 3
40 1 2 . . . . . . . . . 60 . HD1+ parsed_6h5h 3
41 1 1 . . . . . . . . . 30 . HD2 parsed_6h5h 3
41 1 2 . . . . . . . . . 11 . HD2+ parsed_6h5h 3
42 1 1 . . . . . . . . . 30 . HE2 parsed_6h5h 3
42 1 2 . . . . . . . . . 60 . HA parsed_6h5h 3
43 1 1 . . . . . . . . . 30 . HE2 parsed_6h5h 3
43 1 2 . . . . . . . . . 60 . HD1+ parsed_6h5h 3
44 1 1 . . . . . . . . . 30 . HE2 parsed_6h5h 3
44 1 2 . . . . . . . . . 11 . HD2+ parsed_6h5h 3
45 1 1 . . . . . . . . . 30 . HE1 parsed_6h5h 3
45 1 2 . . . . . . . . . 18 . HB+ parsed_6h5h 3
46 1 1 . . . . . . . . . 30 . HE2 parsed_6h5h 3
46 1 2 . . . . . . . . . 60 . HD1+ parsed_6h5h 3
47 1 1 . . . . . . . . . 31 . HN parsed_6h5h 3
47 1 2 . . . . . . . . . 15 . HA+ parsed_6h5h 3
48 1 1 . . . . . . . . . 33 . HB+ parsed_6h5h 3
48 1 2 . . . . . . . . . 60 . HD1+ parsed_6h5h 3
49 1 1 . . . . . . . . . 34 . HN parsed_6h5h 3
49 1 2 . . . . . . . . . 11 . HD1+ parsed_6h5h 3
50 1 1 . . . . . . . . . 34 . HB+ parsed_6h5h 3
50 1 2 . . . . . . . . . 8 . HA parsed_6h5h 3
51 1 1 . . . . . . . . . 37 . HD1+ parsed_6h5h 3
51 1 2 . . . . . . . . . 4 . HB1 parsed_6h5h 3
52 1 1 . . . . . . . . . 37 . HD1+ parsed_6h5h 3
52 1 2 . . . . . . . . . 8 . HA parsed_6h5h 3
53 1 1 . . . . . . . . . 37 . HD2+ parsed_6h5h 3
53 1 2 . . . . . . . . . 53 . HD1+ parsed_6h5h 3
54 1 1 . . . . . . . . . 38 . HN parsed_6h5h 3
54 1 2 . . . . . . . . . 8 . HG2+ parsed_6h5h 3
55 1 1 . . . . . . . . . 40 . HB2 parsed_6h5h 3
55 1 2 . . . . . . . . . 53 . HD2+ parsed_6h5h 3
56 1 1 . . . . . . . . . 40 . HD2 parsed_6h5h 3
56 1 2 . . . . . . . . . 53 . HD1+ parsed_6h5h 3
57 1 1 . . . . . . . . . 40 . HD1 parsed_6h5h 3
57 1 2 . . . . . . . . . 53 . HD2+ parsed_6h5h 3
58 1 1 . . . . . . . . . 40 . HE1 parsed_6h5h 3
58 1 2 . . . . . . . . . 53 . HD2+ parsed_6h5h 3
59 1 1 . . . . . . . . . 42 . HN parsed_6h5h 3
59 1 2 . . . . . . . . . 3 . HD1+ parsed_6h5h 3
60 1 1 . . . . . . . . . 43 . HN parsed_6h5h 3
60 1 2 . . . . . . . . . 3 . HD2+ parsed_6h5h 3
61 1 1 . . . . . . . . . 44 . HG2+ parsed_6h5h 3
61 1 2 . . . . . . . . . 50 . HA parsed_6h5h 3
62 1 1 . . . . . . . . . 44 . HD1+ parsed_6h5h 3
62 1 2 . . . . . . . . . 50 . HA parsed_6h5h 3
63 1 1 . . . . . . . . . 44 . HD1+ parsed_6h5h 3
63 1 2 . . . . . . . . . 53 . HD1+ parsed_6h5h 3
64 1 1 . . . . . . . . . 46 . HN parsed_6h5h 3
64 1 2 . . . . . . . . . 68 . HD1+ parsed_6h5h 3
65 1 1 . . . . . . . . . 46 . HN parsed_6h5h 3
65 1 2 . . . . . . . . . 64 . HG2+ parsed_6h5h 3
66 1 1 . . . . . . . . . 47 . HN parsed_6h5h 3
66 1 2 . . . . . . . . . 64 . HG2+ parsed_6h5h 3
67 1 1 . . . . . . . . . 47 . HN parsed_6h5h 3
67 1 2 . . . . . . . . . 68 . HD1+ parsed_6h5h 3
68 1 1 . . . . . . . . . 47 . HA1 parsed_6h5h 3
68 1 2 . . . . . . . . . 64 . HG2+ parsed_6h5h 3
69 1 1 . . . . . . . . . 47 . HA2 parsed_6h5h 3
69 1 2 . . . . . . . . . 64 . HG2+ parsed_6h5h 3
70 1 1 . . . . . . . . . 47 . HA1 parsed_6h5h 3
70 1 2 . . . . . . . . . 64 . HB parsed_6h5h 3
71 1 1 . . . . . . . . . 47 . HA2 parsed_6h5h 3
71 1 2 . . . . . . . . . 64 . HB parsed_6h5h 3
72 1 1 . . . . . . . . . 50 . HN parsed_6h5h 3
72 1 2 . . . . . . . . . 44 . HD1+ parsed_6h5h 3
73 1 1 . . . . . . . . . 50 . HN parsed_6h5h 3
73 1 2 . . . . . . . . . 64 . HG2+ parsed_6h5h 3
74 1 1 . . . . . . . . . 50 . HN parsed_6h5h 3
74 1 2 . . . . . . . . . 64 . HD1+ parsed_6h5h 3
75 1 1 . . . . . . . . . 53 . HB1 parsed_6h5h 3
75 1 2 . . . . . . . . . 36 . HG2+ parsed_6h5h 3
76 1 1 . . . . . . . . . 60 . HG2+ parsed_6h5h 3
76 1 2 . . . . . . . . . 33 . HB+ parsed_6h5h 3
77 1 1 . . . . . . . . . 60 . HG2+ parsed_6h5h 3
77 1 2 . . . . . . . . . 30 . HD2 parsed_6h5h 3
78 1 1 . . . . . . . . . 60 . HD1+ parsed_6h5h 3
78 1 2 . . . . . . . . . 30 . HA parsed_6h5h 3
79 1 1 . . . . . . . . . 64 . HA parsed_6h5h 3
79 1 2 . . . . . . . . . 7 . HD2+ parsed_6h5h 3
80 1 1 . . . . . . . . . 64 . HG2+ parsed_6h5h 3
80 1 2 . . . . . . . . . 50 . HB+ parsed_6h5h 3
81 1 1 . . . . . . . . . 64 . HD1+ parsed_6h5h 3
81 1 2 . . . . . . . . . 50 . HB+ parsed_6h5h 3
82 1 1 . . . . . . . . . 64 . HD1+ parsed_6h5h 3
82 1 2 . . . . . . . . . 47 . HA2 parsed_6h5h 3
83 1 1 . . . . . . . . . 65 . HN parsed_6h5h 3
83 1 2 . . . . . . . . . 47 . HA+ parsed_6h5h 3
84 1 1 . . . . . . . . . 67 . HN parsed_6h5h 3
84 1 2 . . . . . . . . . 10 . HE+ parsed_6h5h 3
85 1 1 . . . . . . . . . 67 . HD1 parsed_6h5h 3
85 1 2 . . . . . . . . . 7 . HD1+ parsed_6h5h 3
86 1 1 . . . . . . . . . 67 . HD1 parsed_6h5h 3
86 1 2 . . . . . . . . . 7 . HD2+ parsed_6h5h 3
87 1 1 . . . . . . . . . 67 . HZ parsed_6h5h 3
87 1 2 . . . . . . . . . 6 . HB+ parsed_6h5h 3
88 1 1 . . . . . . . . . 68 . HD1+ parsed_6h5h 3
88 1 2 . . . . . . . . . 45 . HA parsed_6h5h 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 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
2 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
3 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
4 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
5 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
6 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
7 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
8 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
9 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
10 1 . . . . . 0.0 0.0 3.5 parsed_6h5h 3
11 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 3
12 1 . . . . . 0.0 0.0 3.5 parsed_6h5h 3
13 1 . . . . . 0.0 0.0 3.5 parsed_6h5h 3
14 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
15 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
16 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
17 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
18 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
19 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 3
20 1 . . . . . 0.0 0.0 3.5 parsed_6h5h 3
21 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
22 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
23 1 . . . . . 0.0 0.0 4.5 parsed_6h5h 3
24 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
25 1 . . . . . 0.0 0.0 4.5 parsed_6h5h 3
26 1 . . . . . 0.0 0.0 4.5 parsed_6h5h 3
27 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 3
28 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 3
29 1 . . . . . 0.0 0.0 3.5 parsed_6h5h 3
30 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 3
31 1 . . . . . 0.0 0.0 4.5 parsed_6h5h 3
32 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
33 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 3
34 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
35 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
36 1 . . . . . 0.0 0.0 5.3 parsed_6h5h 3
37 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
38 1 . . . . . 0.0 0.0 4.5 parsed_6h5h 3
39 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
40 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
41 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
42 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 3
43 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
44 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
45 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
46 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
47 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
48 1 . . . . . 0.0 0.0 5.0 parsed_6h5h 3
49 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
50 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
51 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
52 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
53 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
54 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
55 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
56 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
57 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
58 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
59 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
60 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
61 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
62 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 3
63 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
64 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
65 1 . . . . . 0.0 0.0 5.8 parsed_6h5h 3
66 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
67 1 . . . . . 0.0 0.0 5.3 parsed_6h5h 3
68 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
69 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
70 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 3
71 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 3
72 1 . . . . . 0.0 0.0 5.3 parsed_6h5h 3
73 1 . . . . . 0.0 0.0 5.3 parsed_6h5h 3
74 1 . . . . . 0.0 0.0 5.3 parsed_6h5h 3
75 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
76 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
77 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
78 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
79 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
80 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
81 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
82 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
83 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
84 1 . . . . . 0.0 0.0 4.8 parsed_6h5h 3
85 1 . . . . . 0.0 0.0 4.3 parsed_6h5h 3
86 1 . . . . . 0.0 0.0 3.5 parsed_6h5h 3
87 1 . . . . . 0.0 0.0 3.5 parsed_6h5h 3
88 1 . . . . . 0.0 0.0 4.0 parsed_6h5h 3
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
# Restraints file 3: D_1200011074_mr_P1.xplor-nih.V1
### Distance Restraints (n=137)
## Medium Range ( 1 < |i-j| < 6; n=9 )
;
1 1 4 43 parsed_6h5h 3
2 "## Long Range (|i-j| > 5; n=79)" 16 1 16 36 parsed_6h5h 3
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6h5h
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_6h5h 4
2 1 . . . parsed_6h5h 4
3 1 . . . parsed_6h5h 4
4 1 . . . parsed_6h5h 4
5 1 . . . parsed_6h5h 4
6 1 . . . parsed_6h5h 4
7 1 . . . parsed_6h5h 4
8 1 . . . parsed_6h5h 4
9 1 . . . parsed_6h5h 4
10 1 . . . parsed_6h5h 4
11 1 . . . parsed_6h5h 4
12 1 . . . parsed_6h5h 4
13 1 . . . parsed_6h5h 4
14 1 . . . parsed_6h5h 4
15 1 . . . parsed_6h5h 4
16 1 . . . parsed_6h5h 4
17 1 . . . parsed_6h5h 4
18 1 . . . parsed_6h5h 4
19 1 . . . parsed_6h5h 4
20 1 . . . parsed_6h5h 4
21 1 . . . parsed_6h5h 4
22 1 . . . parsed_6h5h 4
23 1 . . . parsed_6h5h 4
24 1 . . . parsed_6h5h 4
25 1 . . . parsed_6h5h 4
26 1 . . . parsed_6h5h 4
27 1 . . . parsed_6h5h 4
28 1 . . . parsed_6h5h 4
29 1 . . . parsed_6h5h 4
30 1 . . . parsed_6h5h 4
31 1 . . . parsed_6h5h 4
32 1 . . . parsed_6h5h 4
33 1 . . . parsed_6h5h 4
34 1 . . . parsed_6h5h 4
35 1 . . . parsed_6h5h 4
36 1 . . . parsed_6h5h 4
37 1 . . . parsed_6h5h 4
38 1 . . . parsed_6h5h 4
39 1 . . . parsed_6h5h 4
40 1 . . . parsed_6h5h 4
41 1 . . . parsed_6h5h 4
42 1 . . . parsed_6h5h 4
43 1 . . . parsed_6h5h 4
44 1 . . . parsed_6h5h 4
45 1 . . . parsed_6h5h 4
46 1 . . . parsed_6h5h 4
47 1 . . . parsed_6h5h 4
48 1 . . . parsed_6h5h 4
49 1 . . . parsed_6h5h 4
50 1 . . . parsed_6h5h 4
51 1 . . . parsed_6h5h 4
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 . . . . . . . . . 5 . HN parsed_6h5h 4
1 1 2 . . . . . . . . . 2 . O parsed_6h5h 4
2 1 1 . . . . . . . . . 8 . HN parsed_6h5h 4
2 1 2 . . . . . . . . . 4 . O parsed_6h5h 4
3 1 1 . . . . . . . . . 9 . HN parsed_6h5h 4
3 1 2 . . . . . . . . . 5 . O parsed_6h5h 4
4 1 1 . . . . . . . . . 10 . HN parsed_6h5h 4
4 1 2 . . . . . . . . . 6 . O parsed_6h5h 4
5 1 1 . . . . . . . . . 11 . HN parsed_6h5h 4
5 1 2 . . . . . . . . . 7 . O parsed_6h5h 4
6 1 1 . . . . . . . . . 12 . HN parsed_6h5h 4
6 1 2 . . . . . . . . . 8 . O parsed_6h5h 4
7 1 1 . . . . . . . . . 13 . HN parsed_6h5h 4
7 1 2 . . . . . . . . . 9 . O parsed_6h5h 4
8 1 1 . . . . . . . . . 14 . HN parsed_6h5h 4
8 1 2 . . . . . . . . . 10 . O parsed_6h5h 4
9 1 1 . . . . . . . . . 15 . HN parsed_6h5h 4
9 1 2 . . . . . . . . . 11 . O parsed_6h5h 4
10 1 1 . . . . . . . . . 16 . HN parsed_6h5h 4
10 1 2 . . . . . . . . . 12 . O parsed_6h5h 4
11 1 1 . . . . . . . . . 17 . HN parsed_6h5h 4
11 1 2 . . . . . . . . . 13 . O parsed_6h5h 4
12 1 1 . . . . . . . . . 18 . HN parsed_6h5h 4
12 1 2 . . . . . . . . . 14 . O parsed_6h5h 4
13 1 1 . . . . . . . . . 19 . HN parsed_6h5h 4
13 1 2 . . . . . . . . . 15 . O parsed_6h5h 4
14 1 1 . . . . . . . . . 20 . HN parsed_6h5h 4
14 1 2 . . . . . . . . . 16 . O parsed_6h5h 4
15 1 1 . . . . . . . . . 21 . HN parsed_6h5h 4
15 1 2 . . . . . . . . . 17 . O parsed_6h5h 4
16 1 1 . . . . . . . . . 22 . HN parsed_6h5h 4
16 1 2 . . . . . . . . . 19 . O parsed_6h5h 4
17 1 1 . . . . . . . . . 23 . HN parsed_6h5h 4
17 1 2 . . . . . . . . . 18 . O parsed_6h5h 4
18 1 1 . . . . . . . . . 27 . HN parsed_6h5h 4
18 1 2 . . . . . . . . . 23 . O parsed_6h5h 4
19 1 1 . . . . . . . . . 28 . HN parsed_6h5h 4
19 1 2 . . . . . . . . . 24 . O parsed_6h5h 4
20 1 1 . . . . . . . . . 29 . HN parsed_6h5h 4
20 1 2 . . . . . . . . . 25 . O parsed_6h5h 4
21 1 1 . . . . . . . . . 30 . HN parsed_6h5h 4
21 1 2 . . . . . . . . . 26 . O parsed_6h5h 4
22 1 1 . . . . . . . . . 31 . HN parsed_6h5h 4
22 1 2 . . . . . . . . . 27 . O parsed_6h5h 4
23 1 1 . . . . . . . . . 32 . HN parsed_6h5h 4
23 1 2 . . . . . . . . . 28 . O parsed_6h5h 4
24 1 1 . . . . . . . . . 33 . HN parsed_6h5h 4
24 1 2 . . . . . . . . . 29 . O parsed_6h5h 4
25 1 1 . . . . . . . . . 34 . HN parsed_6h5h 4
25 1 2 . . . . . . . . . 30 . O parsed_6h5h 4
26 1 1 . . . . . . . . . 35 . HN parsed_6h5h 4
26 1 2 . . . . . . . . . 31 . O parsed_6h5h 4
27 1 1 . . . . . . . . . 36 . HN parsed_6h5h 4
27 1 2 . . . . . . . . . 32 . O parsed_6h5h 4
28 1 1 . . . . . . . . . 37 . HN parsed_6h5h 4
28 1 2 . . . . . . . . . 33 . O parsed_6h5h 4
29 1 1 . . . . . . . . . 38 . HN parsed_6h5h 4
29 1 2 . . . . . . . . . 34 . O parsed_6h5h 4
30 1 1 . . . . . . . . . 39 . HN parsed_6h5h 4
30 1 2 . . . . . . . . . 35 . O parsed_6h5h 4
31 1 1 . . . . . . . . . 40 . HN parsed_6h5h 4
31 1 2 . . . . . . . . . 36 . O parsed_6h5h 4
32 1 1 . . . . . . . . . 51 . HN parsed_6h5h 4
32 1 2 . . . . . . . . . 47 . O parsed_6h5h 4
33 1 1 . . . . . . . . . 52 . HN parsed_6h5h 4
33 1 2 . . . . . . . . . 49 . O parsed_6h5h 4
34 1 1 . . . . . . . . . 53 . HN parsed_6h5h 4
34 1 2 . . . . . . . . . 50 . O parsed_6h5h 4
35 1 1 . . . . . . . . . 56 . HN parsed_6h5h 4
35 1 2 . . . . . . . . . 53 . O parsed_6h5h 4
36 1 1 . . . . . . . . . 61 . HN parsed_6h5h 4
36 1 2 . . . . . . . . . 57 . O parsed_6h5h 4
37 1 1 . . . . . . . . . 62 . HN parsed_6h5h 4
37 1 2 . . . . . . . . . 58 . O parsed_6h5h 4
38 1 1 . . . . . . . . . 63 . HN parsed_6h5h 4
38 1 2 . . . . . . . . . 59 . O parsed_6h5h 4
39 1 1 . . . . . . . . . 64 . HN parsed_6h5h 4
39 1 2 . . . . . . . . . 60 . O parsed_6h5h 4
40 1 1 . . . . . . . . . 65 . HN parsed_6h5h 4
40 1 2 . . . . . . . . . 61 . O parsed_6h5h 4
41 1 1 . . . . . . . . . 66 . HN parsed_6h5h 4
41 1 2 . . . . . . . . . 62 . O parsed_6h5h 4
42 1 1 . . . . . . . . . 67 . HN parsed_6h5h 4
42 1 2 . . . . . . . . . 63 . O parsed_6h5h 4
43 1 1 . . . . . . . . . 68 . HN parsed_6h5h 4
43 1 2 . . . . . . . . . 64 . O parsed_6h5h 4
44 1 1 . . . . . . . . . 69 . HN parsed_6h5h 4
44 1 2 . . . . . . . . . 65 . O parsed_6h5h 4
45 1 1 . . . . . . . . . 70 . HN parsed_6h5h 4
45 1 2 . . . . . . . . . 66 . O parsed_6h5h 4
46 1 1 . . . . . . . . . 4 . HD21 parsed_6h5h 4
46 1 2 . . . . . . . . . 37 . O parsed_6h5h 4
47 1 1 . . . . . . . . . 4 . HD22 parsed_6h5h 4
47 1 2 . . . . . . . . . 42 . O parsed_6h5h 4
48 1 1 . . . . . . . . . 26 . HN parsed_6h5h 4
48 1 2 . . . . . . . . . 23 . OD1 parsed_6h5h 4
49 1 1 . . . . . . . . . 36 . HG1 parsed_6h5h 4
49 1 2 . . . . . . . . . 54 . O parsed_6h5h 4
50 1 1 . . . . . . . . . 44 . HN parsed_6h5h 4
50 1 2 . . . . . . . . . 4 . OD1 parsed_6h5h 4
51 1 1 . . . . . . . . . 47 . HN parsed_6h5h 4
51 1 2 . . . . . . . . . 65 . OD1 parsed_6h5h 4
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 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
2 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
3 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
4 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
5 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
6 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
7 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
8 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
9 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
10 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
11 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
12 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
13 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
14 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
15 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
16 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
17 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
18 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
19 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
20 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
21 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
22 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
23 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
24 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
25 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
26 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
27 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
28 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
29 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
30 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
31 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
32 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
33 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
34 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
35 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
36 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
37 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
38 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
39 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
40 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
41 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
42 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
43 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
44 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
45 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
46 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
47 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
48 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
49 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
50 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
51 1 . . . . . 2.2 1.8 2.6 parsed_6h5h 4
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
## H-bond (
# backbone (n=45)
;
1 1 3 23 parsed_6h5h 4
2 "# sidechain (n=6)" 51 1 51 23 parsed_6h5h 4
stop_
save_
Contact the webmaster for help, if required. Thursday, May 9, 2024 4:57:22 PM GMT (wattos1)