NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
497170 |
2vda   |
cing | 2-parsed | STAR | entry | full | 201 |
data_2vda_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2vda
_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_2vda 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2vda
_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 2vda "Master copy" parsed_2vda
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2vda
_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 2vda.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2vda 1
1 2vda.mr . . XPLOR/CNS 2 distance PRE "Not applicable" 74 parsed_2vda 1
1 2vda.mr . . XPLOR/CNS 3 distance PRE "Not applicable" 74 parsed_2vda 1
1 2vda.mr . . XPLOR/CNS 4 distance PRE "Not applicable" 53 parsed_2vda 1
1 2vda.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2vda 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_2vda
_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 PROTEIN TRANSPORT 01-OCT-07 2VDA
*TITLE SOLUTION STRUCTURE OF THE SECA-SIGNAL PEPTIDE COMPLEX
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: TRANSLOCASE SUBUNIT SECA;
*COMPND 3 SYNONYM: SECA TRANSLOCASE ATPASE;
*COMPND 4 CHAIN: A;
*COMPND 5 FRAGMENT: RESIDUES 9-836;
*COMPND 6 ENGINEERED: YES;
*COMPND 7 MOL_ID: 2;
*COMPND 8 MOLECULE: MALTOPORIN;
*COMPND 9 SYNONYM: MALTOSE-INDUCIBLE PORIN;
*COMPND 10 CHAIN: B;
*COMPND 11 FRAGMENT: SIGNAL SEQUENCE, RESIDUES 1-25
*SOURCE MOL_ID: 1;
*SOURCE 2 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 3 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE 4 EXPRESSION_SYSTEM_PLASMID: PET16B;
*SOURCE 5 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
*SOURCE 6 MOL_ID: 2;
*SOURCE 7 SYNTHETIC: YES;
*SOURCE 8 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI
*KEYWDS SUGAR TRANSPORT, PROTEIN TRANSPORT, PROTEIN TARGETING,
*KEYWDS 2 TRANSMEMBRANE, OUTER MEMBRANE, SIGNAL PEPTIDE,
*KEYWDS 3 PARAMAGNETIC RELAXATION ENHANCEMENT,
*KEYWDS 4 TRANSLOCASE, ION TRANSPORT, TRANSLOCATION,
*KEYWDS 5 PROTEIN SECRETION, NUCLEOTIDE-BINDING,
*KEYWDS 6 SECA, PORIN, MEMBRANE, TRANSPORT, ATP-BINDING,
*KEYWDS 7 HIGH MOLECULAR WEIGHT COMPLEX
*EXPDTA NMR, 10 STRUCTURES
*AUTHOR I.GELIS,A.M.J.J.BONVIN,D.KERAMISANOU,M.KOUKAKI,G.GOURIDIS,
*AUTHOR 2 S.KARAMANOU,A.ECONOMOU,C.G.KALODIMOS
*REVDAT 1 27-NOV-07 2VDA 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2vda
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type PRE
_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_2vda 1
2 1 . . . parsed_2vda 1
3 1 . . . parsed_2vda 1
4 1 . . . parsed_2vda 1
5 1 . . . parsed_2vda 1
6 1 . . . parsed_2vda 1
7 1 . . . parsed_2vda 1
8 1 . . . parsed_2vda 1
9 1 . . . parsed_2vda 1
10 1 . . . parsed_2vda 1
11 1 . . . parsed_2vda 1
12 1 . . . parsed_2vda 1
13 1 . . . parsed_2vda 1
14 1 . . . parsed_2vda 1
15 1 . . . parsed_2vda 1
16 1 . . . parsed_2vda 1
17 1 . . . parsed_2vda 1
18 1 . . . parsed_2vda 1
19 1 . . . parsed_2vda 1
20 1 . . . parsed_2vda 1
21 1 . . . parsed_2vda 1
22 1 . . . parsed_2vda 1
23 1 . . . parsed_2vda 1
24 1 . . . parsed_2vda 1
25 1 . . . parsed_2vda 1
26 1 . . . parsed_2vda 1
27 1 . . . parsed_2vda 1
28 1 . . . parsed_2vda 1
29 1 . . . parsed_2vda 1
30 1 . . . parsed_2vda 1
31 1 . . . parsed_2vda 1
32 1 . . . parsed_2vda 1
33 1 . . . parsed_2vda 1
34 1 . . . parsed_2vda 1
35 1 . . . parsed_2vda 1
36 1 . . . parsed_2vda 1
37 1 . . . parsed_2vda 1
38 1 . . . parsed_2vda 1
39 1 . . . parsed_2vda 1
40 1 . . . parsed_2vda 1
41 1 . . . parsed_2vda 1
42 1 . . . parsed_2vda 1
43 1 . . . parsed_2vda 1
44 1 . . . parsed_2vda 1
45 1 . . . parsed_2vda 1
46 1 . . . parsed_2vda 1
47 1 . . . parsed_2vda 1
48 1 . . . parsed_2vda 1
49 1 . . . parsed_2vda 1
50 1 . . . parsed_2vda 1
51 1 . . . parsed_2vda 1
52 1 . . . parsed_2vda 1
53 1 . . . parsed_2vda 1
54 1 . . . parsed_2vda 1
55 1 . . . parsed_2vda 1
56 1 . . . parsed_2vda 1
57 1 . . . parsed_2vda 1
58 1 . . . parsed_2vda 1
59 1 . . . parsed_2vda 1
60 1 . . . parsed_2vda 1
61 1 . . . parsed_2vda 1
62 1 . . . parsed_2vda 1
63 1 . . . parsed_2vda 1
64 1 . . . parsed_2vda 1
65 1 . . . parsed_2vda 1
66 1 . . . parsed_2vda 1
67 1 . . . parsed_2vda 1
68 1 . . . parsed_2vda 1
69 1 . . . parsed_2vda 1
70 1 . . . parsed_2vda 1
71 1 . . . parsed_2vda 1
72 1 . . . parsed_2vda 1
73 1 . . . parsed_2vda 1
74 1 . . . parsed_2vda 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 . . . . . . . . A 235 . HE* parsed_2vda 1
1 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
2 1 1 . . . . . . . . A 239 . HG1# parsed_2vda 1
2 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
3 1 1 . . . . . . . . A 239 . HG2# parsed_2vda 1
3 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
4 1 1 . . . . . . . . A 242 . HD* parsed_2vda 1
4 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
5 1 1 . . . . . . . . A 243 . HD* parsed_2vda 1
5 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
6 1 1 . . . . . . . . A 246 . HD1# parsed_2vda 1
6 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
7 1 1 . . . . . . . . A 246 . HD2# parsed_2vda 1
7 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
8 1 1 . . . . . . . . A 247 . HD* parsed_2vda 1
8 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
9 1 1 . . . . . . . . A 274 . HD2# parsed_2vda 1
9 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
10 1 1 . . . . . . . . A 279 . HD1# parsed_2vda 1
10 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
11 1 1 . . . . . . . . A 279 . HD2# parsed_2vda 1
11 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
12 1 1 . . . . . . . . A 280 . HG1# parsed_2vda 1
12 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
13 1 1 . . . . . . . . A 280 . HG2# parsed_2vda 1
13 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
14 1 1 . . . . . . . . A 281 . HD1# parsed_2vda 1
14 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
15 1 1 . . . . . . . . A 281 . HD2# parsed_2vda 1
15 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
16 1 1 . . . . . . . . A 282 . HD* parsed_2vda 1
16 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
17 1 1 . . . . . . . . A 285 . HD1# parsed_2vda 1
17 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
18 1 1 . . . . . . . . A 285 . HD2# parsed_2vda 1
18 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
19 1 1 . . . . . . . . A 298 . HD1# parsed_2vda 1
19 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
20 1 1 . . . . . . . . A 298 . HD2# parsed_2vda 1
20 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
21 1 1 . . . . . . . . A 304 . HD* parsed_2vda 1
21 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
22 1 1 . . . . . . . . A 305 . HE* parsed_2vda 1
22 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
23 1 1 . . . . . . . . A 306 . HD2# parsed_2vda 1
23 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
24 1 1 . . . . . . . . A 307 . HE* parsed_2vda 1
24 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
25 1 1 . . . . . . . . A 310 . HG1# parsed_2vda 1
25 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
26 1 1 . . . . . . . . A 310 . HG2# parsed_2vda 1
26 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
27 1 1 . . . . . . . . A 314 . HD1# parsed_2vda 1
27 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
28 1 1 . . . . . . . . A 314 . HD2# parsed_2vda 1
28 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
29 1 1 . . . . . . . . A 365 . HD* parsed_2vda 1
29 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
30 1 1 . . . . . . . . A 676 . HD# parsed_2vda 1
30 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
31 1 1 . . . . . . . . A 676 . HD# parsed_2vda 1
31 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
32 1 1 . . . . . . . . A 683 . HG# parsed_2vda 1
32 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
33 1 1 . . . . . . . . A 683 . HG# parsed_2vda 1
33 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
34 1 1 . . . . . . . . A 688 . HD* parsed_2vda 1
34 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
35 1 1 . . . . . . . . A 692 . HD* parsed_2vda 1
35 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
36 1 1 . . . . . . . . A 700 . HE* parsed_2vda 1
36 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
37 1 1 . . . . . . . . A 703 . HD* parsed_2vda 1
37 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
38 1 1 . . . . . . . . A 706 . HD# parsed_2vda 1
38 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
39 1 1 . . . . . . . . A 716 . HD# parsed_2vda 1
39 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
40 1 1 . . . . . . . . A 716 . HD# parsed_2vda 1
40 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
41 1 1 . . . . . . . . A 718 . HD# parsed_2vda 1
41 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
42 1 1 . . . . . . . . A 718 . HD# parsed_2vda 1
42 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
43 1 1 . . . . . . . . A 720 . HD* parsed_2vda 1
43 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
44 1 1 . . . . . . . . A 724 . HD# parsed_2vda 1
44 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
45 1 1 . . . . . . . . A 724 . HD# parsed_2vda 1
45 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
46 1 1 . . . . . . . . A 730 . HD# parsed_2vda 1
46 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
47 1 1 . . . . . . . . A 735 . HD# parsed_2vda 1
47 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
48 1 1 . . . . . . . . A 735 . HD# parsed_2vda 1
48 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
49 1 1 . . . . . . . . A 739 . HD* parsed_2vda 1
49 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
50 1 1 . . . . . . . . A 740 . HD# parsed_2vda 1
50 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
51 1 1 . . . . . . . . A 740 . HD# parsed_2vda 1
51 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
52 1 1 . . . . . . . . A 746 . HG# parsed_2vda 1
52 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
53 1 1 . . . . . . . . A 746 . HG# parsed_2vda 1
53 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
54 1 1 . . . . . . . . A 759 . HE* parsed_2vda 1
54 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
55 1 1 . . . . . . . . A 766 . HG# parsed_2vda 1
55 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
56 1 1 . . . . . . . . A 766 . HG# parsed_2vda 1
56 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
57 1 1 . . . . . . . . A 767 . HE* parsed_2vda 1
57 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
58 1 1 . . . . . . . . A 774 . HD# parsed_2vda 1
58 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
59 1 1 . . . . . . . . A 774 . HD# parsed_2vda 1
59 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
60 1 1 . . . . . . . . A 810 . HE* parsed_2vda 1
60 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
61 1 1 . . . . . . . . A 814 . HE* parsed_2vda 1
61 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
62 1 1 . . . . . . . . A 815 . HD# parsed_2vda 1
62 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
63 1 1 . . . . . . . . A 818 . HD# parsed_2vda 1
63 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
64 1 1 . . . . . . . . A 818 . HD# parsed_2vda 1
64 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
65 1 1 . . . . . . . . A 822 . HG# parsed_2vda 1
65 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
66 1 1 . . . . . . . . A 822 . HG# parsed_2vda 1
66 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
67 1 1 . . . . . . . . A 823 . HD* parsed_2vda 1
67 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
68 1 1 . . . . . . . . A 826 . HD# parsed_2vda 1
68 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
69 1 1 . . . . . . . . A 826 . HD# parsed_2vda 1
69 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
70 1 1 . . . . . . . . A 829 . HG# parsed_2vda 1
70 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
71 1 1 . . . . . . . . A 829 . HG# parsed_2vda 1
71 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
72 1 1 . . . . . . . . A 831 . HG# parsed_2vda 1
72 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
73 1 1 . . . . . . . . A 831 . HG# parsed_2vda 1
73 1 2 . . . . . . . . B 7 . OAH parsed_2vda 1
74 1 1 . . . . . . . . A 833 . HE* parsed_2vda 1
74 1 2 . . . . . . . . B 7 . OAH parsed_2vda 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 . . . . . 24.4 16.4 24.4 parsed_2vda 1
2 1 . . . . . 20.4 12.4 20.4 parsed_2vda 1
3 1 . . . . . 22.5 14.5 22.5 parsed_2vda 1
4 1 . . . . . 18.5 10.5 18.5 parsed_2vda 1
5 1 . . . . . 25.0 17.0 25.0 parsed_2vda 1
6 1 . . . . . 24.0 16.0 24.0 parsed_2vda 1
7 1 . . . . . 23.6 15.6 23.6 parsed_2vda 1
8 1 . . . . . 30.3 22.3 30.3 parsed_2vda 1
9 1 . . . . . 31.3 23.3 31.3 parsed_2vda 1
10 1 . . . . . 27.8 19.8 27.8 parsed_2vda 1
11 1 . . . . . 25.9 17.9 25.9 parsed_2vda 1
12 1 . . . . . 28.3 20.3 28.3 parsed_2vda 1
13 1 . . . . . 26.6 18.6 26.6 parsed_2vda 1
14 1 . . . . . 29.2 21.2 29.2 parsed_2vda 1
15 1 . . . . . 28.1 20.1 28.1 parsed_2vda 1
16 1 . . . . . 22.8 14.8 22.8 parsed_2vda 1
17 1 . . . . . 21.9 13.9 21.9 parsed_2vda 1
18 1 . . . . . 21.4 13.4 21.4 parsed_2vda 1
19 1 . . . . . 20.1 12.1 20.1 parsed_2vda 1
20 1 . . . . . 21.0 13.0 21.0 parsed_2vda 1
21 1 . . . . . 26.4 18.4 26.4 parsed_2vda 1
22 1 . . . . . 22.4 14.4 22.4 parsed_2vda 1
23 1 . . . . . 19.6 11.6 19.6 parsed_2vda 1
24 1 . . . . . 26.1 18.1 26.1 parsed_2vda 1
25 1 . . . . . 21.3 13.3 21.3 parsed_2vda 1
26 1 . . . . . 23.3 15.3 23.3 parsed_2vda 1
27 1 . . . . . 27.6 19.6 27.6 parsed_2vda 1
28 1 . . . . . 19.6 11.6 19.6 parsed_2vda 1
29 1 . . . . . 29.7 21.7 29.7 parsed_2vda 1
30 1 . . . . . 28.6 20.6 28.6 parsed_2vda 1
31 1 . . . . . 27.2 19.2 27.2 parsed_2vda 1
32 1 . . . . . 20.5 12.5 20.5 parsed_2vda 1
33 1 . . . . . 23.3 15.3 23.3 parsed_2vda 1
34 1 . . . . . 23.2 15.2 23.2 parsed_2vda 1
35 1 . . . . . 22.6 14.6 22.6 parsed_2vda 1
36 1 . . . . . 29.7 21.7 29.7 parsed_2vda 1
37 1 . . . . . 22.2 14.2 22.2 parsed_2vda 1
38 1 . . . . . 19.9 11.9 19.9 parsed_2vda 1
39 1 . . . . . 22.6 14.6 22.6 parsed_2vda 1
40 1 . . . . . 22.6 14.6 22.6 parsed_2vda 1
41 1 . . . . . 22.7 14.7 22.7 parsed_2vda 1
42 1 . . . . . 23.8 15.8 23.8 parsed_2vda 1
43 1 . . . . . 20.0 12.0 20.0 parsed_2vda 1
44 1 . . . . . 27.9 19.9 27.9 parsed_2vda 1
45 1 . . . . . 25.2 17.2 25.2 parsed_2vda 1
46 1 . . . . . 28.0 20.0 28.0 parsed_2vda 1
47 1 . . . . . 25.8 17.8 25.8 parsed_2vda 1
48 1 . . . . . 24.8 16.8 24.8 parsed_2vda 1
49 1 . . . . . 22.5 14.5 22.5 parsed_2vda 1
50 1 . . . . . 26.4 18.4 26.4 parsed_2vda 1
51 1 . . . . . 29.0 21.0 29.0 parsed_2vda 1
52 1 . . . . . 25.0 17.0 25.0 parsed_2vda 1
53 1 . . . . . 25.7 17.7 25.7 parsed_2vda 1
54 1 . . . . . 28.8 20.8 28.8 parsed_2vda 1
55 1 . . . . . 25.1 17.1 25.1 parsed_2vda 1
56 1 . . . . . 26.7 18.7 26.7 parsed_2vda 1
57 1 . . . . . 29.3 21.3 29.3 parsed_2vda 1
58 1 . . . . . 23.9 15.9 23.9 parsed_2vda 1
59 1 . . . . . 22.9 14.9 22.9 parsed_2vda 1
60 1 . . . . . 28.9 20.9 28.9 parsed_2vda 1
61 1 . . . . . 29.3 21.3 29.3 parsed_2vda 1
62 1 . . . . . 29.9 21.9 29.9 parsed_2vda 1
63 1 . . . . . 26.4 18.4 26.4 parsed_2vda 1
64 1 . . . . . 28.2 20.2 28.2 parsed_2vda 1
65 1 . . . . . 25.8 17.8 25.8 parsed_2vda 1
66 1 . . . . . 25.2 17.2 25.2 parsed_2vda 1
67 1 . . . . . 25.5 17.5 25.5 parsed_2vda 1
68 1 . . . . . 26.3 18.3 26.3 parsed_2vda 1
69 1 . . . . . 26.3 18.3 26.3 parsed_2vda 1
70 1 . . . . . 24.2 16.2 24.2 parsed_2vda 1
71 1 . . . . . 25.0 17.0 25.0 parsed_2vda 1
72 1 . . . . . 29.1 21.1 29.1 parsed_2vda 1
73 1 . . . . . 26.6 18.6 26.6 parsed_2vda 1
74 1 . . . . . 28.6 20.6 28.6 parsed_2vda 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
;
The oxygen atom of MTSL is denoted as OAH
PRE derived constraints for K7C-MTSL
-------------Upper and Lower bound constraints------------
;
1 1 4 60 parsed_2vda 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2vda
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type PRE
_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_2vda 2
2 1 . . . parsed_2vda 2
3 1 . . . parsed_2vda 2
4 1 . . . parsed_2vda 2
5 1 . . . parsed_2vda 2
6 1 . . . parsed_2vda 2
7 1 . . . parsed_2vda 2
8 1 . . . parsed_2vda 2
9 1 . . . parsed_2vda 2
10 1 . . . parsed_2vda 2
11 1 . . . parsed_2vda 2
12 1 . . . parsed_2vda 2
13 1 . . . parsed_2vda 2
14 1 . . . parsed_2vda 2
15 1 . . . parsed_2vda 2
16 1 . . . parsed_2vda 2
17 1 . . . parsed_2vda 2
18 1 . . . parsed_2vda 2
19 1 . . . parsed_2vda 2
20 1 . . . parsed_2vda 2
21 1 . . . parsed_2vda 2
22 1 . . . parsed_2vda 2
23 1 . . . parsed_2vda 2
24 1 . . . parsed_2vda 2
25 1 . . . parsed_2vda 2
26 1 . . . parsed_2vda 2
27 1 . . . parsed_2vda 2
28 1 . . . parsed_2vda 2
29 1 . . . parsed_2vda 2
30 1 . . . parsed_2vda 2
31 1 . . . parsed_2vda 2
32 1 . . . parsed_2vda 2
33 1 . . . parsed_2vda 2
34 1 . . . parsed_2vda 2
35 1 . . . parsed_2vda 2
36 1 . . . parsed_2vda 2
37 1 . . . parsed_2vda 2
38 1 . . . parsed_2vda 2
39 1 . . . parsed_2vda 2
40 1 . . . parsed_2vda 2
41 1 . . . parsed_2vda 2
42 1 . . . parsed_2vda 2
43 1 . . . parsed_2vda 2
44 1 . . . parsed_2vda 2
45 1 . . . parsed_2vda 2
46 1 . . . parsed_2vda 2
47 1 . . . parsed_2vda 2
48 1 . . . parsed_2vda 2
49 1 . . . parsed_2vda 2
50 1 . . . parsed_2vda 2
51 1 . . . parsed_2vda 2
52 1 . . . parsed_2vda 2
53 1 . . . parsed_2vda 2
54 1 . . . parsed_2vda 2
55 1 . . . parsed_2vda 2
56 1 . . . parsed_2vda 2
57 1 . . . parsed_2vda 2
58 1 . . . parsed_2vda 2
59 1 . . . parsed_2vda 2
60 1 . . . parsed_2vda 2
61 1 . . . parsed_2vda 2
62 1 . . . parsed_2vda 2
63 1 . . . parsed_2vda 2
64 1 . . . parsed_2vda 2
65 1 . . . parsed_2vda 2
66 1 . . . parsed_2vda 2
67 1 . . . parsed_2vda 2
68 1 . . . parsed_2vda 2
69 1 . . . parsed_2vda 2
70 1 . . . parsed_2vda 2
71 1 . . . parsed_2vda 2
72 1 . . . parsed_2vda 2
73 1 . . . parsed_2vda 2
74 1 . . . parsed_2vda 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 . . . . . . . . A 286 . HD1# parsed_2vda 2
1 1 2 . . . . . . . . B 7 . OAH parsed_2vda 2
2 1 1 . . . . . . . . A 286 . HD2# parsed_2vda 2
2 1 2 . . . . . . . . B 7 . OAH parsed_2vda 2
3 1 1 . . . . . . . . A 287 . HG1# parsed_2vda 2
3 1 2 . . . . . . . . B 7 . OAH parsed_2vda 2
4 1 1 . . . . . . . . A 287 . HG2# parsed_2vda 2
4 1 2 . . . . . . . . B 7 . OAH parsed_2vda 2
5 1 1 . . . . . . . . A 291 . HD* parsed_2vda 2
5 1 2 . . . . . . . . B 7 . OAH parsed_2vda 2
6 1 1 . . . . . . . . A 292 . HE* parsed_2vda 2
6 1 2 . . . . . . . . B 7 . OAH parsed_2vda 2
7 1 1 . . . . . . . . A 306 . HD1# parsed_2vda 2
7 1 2 . . . . . . . . B 7 . OAH parsed_2vda 2
8 1 1 . . . . . . . . A 706 . HD# parsed_2vda 2
8 1 2 . . . . . . . . B 7 . OAH parsed_2vda 2
9 1 1 . . . . . . . . A 710 . HD# parsed_2vda 2
9 1 2 . . . . . . . . B 7 . OAH parsed_2vda 2
10 1 1 . . . . . . . . A 710 . HD# parsed_2vda 2
10 1 2 . . . . . . . . B 7 . OAH parsed_2vda 2
11 1 1 . . . . . . . . A 187 . HD# parsed_2vda 2
11 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
12 1 1 . . . . . . . . A 187 . HD# parsed_2vda 2
12 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
13 1 1 . . . . . . . . A 191 . HE* parsed_2vda 2
13 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
14 1 1 . . . . . . . . A 199 . HG# parsed_2vda 2
14 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
15 1 1 . . . . . . . . A 199 . HG# parsed_2vda 2
15 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
16 1 1 . . . . . . . . A 223 . HD2# parsed_2vda 2
16 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
17 1 1 . . . . . . . . A 225 . HD* parsed_2vda 2
17 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
18 1 1 . . . . . . . . A 235 . HE* parsed_2vda 2
18 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
19 1 1 . . . . . . . . A 239 . HG1# parsed_2vda 2
19 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
20 1 1 . . . . . . . . A 239 . HG2# parsed_2vda 2
20 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
21 1 1 . . . . . . . . A 291 . HD* parsed_2vda 2
21 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
22 1 1 . . . . . . . . A 305 . HE* parsed_2vda 2
22 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
23 1 1 . . . . . . . . A 306 . HD2# parsed_2vda 2
23 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
24 1 1 . . . . . . . . A 365 . HD* parsed_2vda 2
24 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
25 1 1 . . . . . . . . A 372 . HD1# parsed_2vda 2
25 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
26 1 1 . . . . . . . . A 372 . HD2# parsed_2vda 2
26 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
27 1 1 . . . . . . . . A 375 . HD* parsed_2vda 2
27 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
28 1 1 . . . . . . . . A 659 . HD* parsed_2vda 2
28 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
29 1 1 . . . . . . . . A 666 . HD# parsed_2vda 2
29 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
30 1 1 . . . . . . . . A 666 . HD# parsed_2vda 2
30 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
31 1 1 . . . . . . . . A 667 . HD# parsed_2vda 2
31 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
32 1 1 . . . . . . . . A 669 . HG# parsed_2vda 2
32 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
33 1 1 . . . . . . . . A 669 . HG# parsed_2vda 2
33 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
34 1 1 . . . . . . . . A 672 . HG# parsed_2vda 2
34 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
35 1 1 . . . . . . . . A 676 . HD* parsed_2vda 2
35 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
36 1 1 . . . . . . . . A 679 . HD* parsed_2vda 2
36 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
37 1 1 . . . . . . . . A 683 . HG# parsed_2vda 2
37 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
38 1 1 . . . . . . . . A 683 . HG# parsed_2vda 2
38 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
39 1 1 . . . . . . . . A 746 . HG# parsed_2vda 2
39 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
40 1 1 . . . . . . . . A 746 . HG# parsed_2vda 2
40 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
41 1 1 . . . . . . . . A 753 . HG# parsed_2vda 2
41 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
42 1 1 . . . . . . . . A 753 . HG# parsed_2vda 2
42 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
43 1 1 . . . . . . . . A 767 . HE* parsed_2vda 2
43 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
44 1 1 . . . . . . . . A 771 . HD# parsed_2vda 2
44 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
45 1 1 . . . . . . . . A 771 . HD# parsed_2vda 2
45 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
46 1 1 . . . . . . . . A 774 . HD# parsed_2vda 2
46 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
47 1 1 . . . . . . . . A 774 . HD# parsed_2vda 2
47 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
48 1 1 . . . . . . . . A 779 . HD# parsed_2vda 2
48 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
49 1 1 . . . . . . . . A 779 . HD# parsed_2vda 2
49 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
50 1 1 . . . . . . . . A 814 . HE* parsed_2vda 2
50 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
51 1 1 . . . . . . . . A 815 . HD# parsed_2vda 2
51 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
52 1 1 . . . . . . . . A 815 . HD# parsed_2vda 2
52 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
53 1 1 . . . . . . . . A 818 . HD# parsed_2vda 2
53 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
54 1 1 . . . . . . . . A 818 . HD# parsed_2vda 2
54 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
55 1 1 . . . . . . . . A 822 . HG# parsed_2vda 2
55 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
56 1 1 . . . . . . . . A 822 . HG# parsed_2vda 2
56 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
57 1 1 . . . . . . . . A 823 . HD* parsed_2vda 2
57 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
58 1 1 . . . . . . . . A 831 . HG# parsed_2vda 2
58 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
59 1 1 . . . . . . . . A 831 . HG# parsed_2vda 2
59 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
60 1 1 . . . . . . . . A 833 . HE* parsed_2vda 2
60 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
61 1 1 . . . . . . . . A 667 . HD# parsed_2vda 2
61 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
62 1 1 . . . . . . . . A 672 . HG# parsed_2vda 2
62 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
63 1 1 . . . . . . . . A 754 . HG# parsed_2vda 2
63 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
64 1 1 . . . . . . . . A 754 . HG# parsed_2vda 2
64 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
65 1 1 . . . . . . . . A 758 . HE* parsed_2vda 2
65 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
66 1 1 . . . . . . . . A 759 . HE* parsed_2vda 2
66 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
67 1 1 . . . . . . . . A 766 . HG# parsed_2vda 2
67 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
68 1 1 . . . . . . . . A 766 . HG# parsed_2vda 2
68 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
69 1 1 . . . . . . . . A 768 . HD# parsed_2vda 2
69 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
70 1 1 . . . . . . . . A 768 . HD# parsed_2vda 2
70 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
71 1 1 . . . . . . . . A 826 . HD# parsed_2vda 2
71 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
72 1 1 . . . . . . . . A 826 . HD# parsed_2vda 2
72 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
73 1 1 . . . . . . . . A 829 . HG# parsed_2vda 2
73 1 2 . . . . . . . . B 25 . OAH parsed_2vda 2
74 1 1 . . . . . . . . A 829 . HG# parsed_2vda 2
74 1 2 . . . . . . . . B 25 . OAH parsed_2vda 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 . . . . . 18.6 1.6 18.6 parsed_2vda 2
2 1 . . . . . 17.4 1.6 17.4 parsed_2vda 2
3 1 . . . . . 14.2 1.6 14.2 parsed_2vda 2
4 1 . . . . . 13.1 1.6 13.1 parsed_2vda 2
5 1 . . . . . 12.1 1.6 12.1 parsed_2vda 2
6 1 . . . . . 17.0 1.6 17.0 parsed_2vda 2
7 1 . . . . . 17.5 1.6 17.5 parsed_2vda 2
8 1 . . . . . 17.6 1.6 17.6 parsed_2vda 2
9 1 . . . . . 18.8 1.6 18.8 parsed_2vda 2
10 1 . . . . . 18.3 1.6 18.3 parsed_2vda 2
11 1 . . . . . 26.2 18.2 26.2 parsed_2vda 2
12 1 . . . . . 25.1 17.1 25.1 parsed_2vda 2
13 1 . . . . . 18.9 10.9 18.9 parsed_2vda 2
14 1 . . . . . 22.1 14.1 22.1 parsed_2vda 2
15 1 . . . . . 23.7 15.7 23.7 parsed_2vda 2
16 1 . . . . . 32.2 24.2 32.2 parsed_2vda 2
17 1 . . . . . 24.1 16.1 24.1 parsed_2vda 2
18 1 . . . . . 20.0 12.0 20.0 parsed_2vda 2
19 1 . . . . . 30.2 22.2 30.2 parsed_2vda 2
20 1 . . . . . 29.4 21.4 29.4 parsed_2vda 2
21 1 . . . . . 27.6 19.6 27.6 parsed_2vda 2
22 1 . . . . . 26.4 18.4 26.4 parsed_2vda 2
23 1 . . . . . 29.0 21.0 29.0 parsed_2vda 2
24 1 . . . . . 25.7 17.7 25.7 parsed_2vda 2
25 1 . . . . . 22.8 14.8 22.8 parsed_2vda 2
26 1 . . . . . 21.1 13.1 21.1 parsed_2vda 2
27 1 . . . . . 29.1 21.1 29.1 parsed_2vda 2
28 1 . . . . . 24.7 16.7 24.7 parsed_2vda 2
29 1 . . . . . 20.0 12.0 20.0 parsed_2vda 2
30 1 . . . . . 20.8 12.8 20.8 parsed_2vda 2
31 1 . . . . . 19.1 11.1 19.1 parsed_2vda 2
32 1 . . . . . 22.5 14.5 22.5 parsed_2vda 2
33 1 . . . . . 20.3 12.3 20.3 parsed_2vda 2
34 1 . . . . . 19.6 11.6 19.6 parsed_2vda 2
35 1 . . . . . 19.5 11.5 19.5 parsed_2vda 2
36 1 . . . . . 22.7 14.7 22.7 parsed_2vda 2
37 1 . . . . . 27.2 19.2 27.2 parsed_2vda 2
38 1 . . . . . 26.5 18.5 26.5 parsed_2vda 2
39 1 . . . . . 26.6 18.6 26.6 parsed_2vda 2
40 1 . . . . . 29.4 21.4 29.4 parsed_2vda 2
41 1 . . . . . 21.6 13.6 21.6 parsed_2vda 2
42 1 . . . . . 23.5 15.5 23.5 parsed_2vda 2
43 1 . . . . . 20.5 12.5 20.5 parsed_2vda 2
44 1 . . . . . 20.9 12.9 20.9 parsed_2vda 2
45 1 . . . . . 20.7 12.7 20.7 parsed_2vda 2
46 1 . . . . . 23.3 15.3 23.3 parsed_2vda 2
47 1 . . . . . 24.0 16.0 24.0 parsed_2vda 2
48 1 . . . . . 25.7 17.7 25.7 parsed_2vda 2
49 1 . . . . . 28.2 20.2 28.2 parsed_2vda 2
50 1 . . . . . 26.1 18.1 26.1 parsed_2vda 2
51 1 . . . . . 29.8 21.8 29.8 parsed_2vda 2
52 1 . . . . . 26.8 18.8 26.8 parsed_2vda 2
53 1 . . . . . 20.9 12.9 20.9 parsed_2vda 2
54 1 . . . . . 23.1 15.1 23.1 parsed_2vda 2
55 1 . . . . . 19.3 11.3 19.3 parsed_2vda 2
56 1 . . . . . 19.3 11.3 19.3 parsed_2vda 2
57 1 . . . . . 22.5 14.5 22.5 parsed_2vda 2
58 1 . . . . . 19.9 11.9 19.9 parsed_2vda 2
59 1 . . . . . 18.8 10.8 18.8 parsed_2vda 2
60 1 . . . . . 26.6 18.6 26.6 parsed_2vda 2
61 1 . . . . . 16.2 1.6 16.2 parsed_2vda 2
62 1 . . . . . 18.0 1.6 18.0 parsed_2vda 2
63 1 . . . . . 15.0 1.6 15.0 parsed_2vda 2
64 1 . . . . . 17.3 1.6 17.3 parsed_2vda 2
65 1 . . . . . 10.2 1.6 10.2 parsed_2vda 2
66 1 . . . . . 17.6 1.6 17.6 parsed_2vda 2
67 1 . . . . . 15.6 1.6 15.6 parsed_2vda 2
68 1 . . . . . 13.0 1.6 13.0 parsed_2vda 2
69 1 . . . . . 14.1 1.6 14.1 parsed_2vda 2
70 1 . . . . . 16.8 1.6 16.8 parsed_2vda 2
71 1 . . . . . 18.7 1.6 18.7 parsed_2vda 2
72 1 . . . . . 16.3 1.6 16.3 parsed_2vda 2
73 1 . . . . . 18.3 1.6 18.3 parsed_2vda 2
74 1 . . . . . 16.4 1.6 16.4 parsed_2vda 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 "---------------Upper bound only constraints---------------" 1 1 1 60 parsed_2vda 2
2
;
PRE derived constraints for Q25C-MTSL
-------------Upper and Lower bound constraints------------
;
22 59 26 60 parsed_2vda 2
3 "---------------Upper bound only constraints---------------" 127 59 129 60 parsed_2vda 2
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2vda
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type PRE
_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_2vda 3
2 1 . . . parsed_2vda 3
3 1 . . . parsed_2vda 3
4 1 . . . parsed_2vda 3
5 1 . . . parsed_2vda 3
6 1 . . . parsed_2vda 3
7 1 . . . parsed_2vda 3
8 1 . . . parsed_2vda 3
9 1 . . . parsed_2vda 3
10 1 . . . parsed_2vda 3
11 1 . . . parsed_2vda 3
12 1 . . . parsed_2vda 3
13 1 . . . parsed_2vda 3
14 1 . . . parsed_2vda 3
15 1 . . . parsed_2vda 3
16 1 . . . parsed_2vda 3
17 1 . . . parsed_2vda 3
18 1 . . . parsed_2vda 3
19 1 . . . parsed_2vda 3
20 1 . . . parsed_2vda 3
21 1 . . . parsed_2vda 3
22 1 . . . parsed_2vda 3
23 1 . . . parsed_2vda 3
24 1 . . . parsed_2vda 3
25 1 . . . parsed_2vda 3
26 1 . . . parsed_2vda 3
27 1 . . . parsed_2vda 3
28 1 . . . parsed_2vda 3
29 1 . . . parsed_2vda 3
30 1 . . . parsed_2vda 3
31 1 . . . parsed_2vda 3
32 1 . . . parsed_2vda 3
33 1 . . . parsed_2vda 3
34 1 . . . parsed_2vda 3
35 1 . . . parsed_2vda 3
36 1 . . . parsed_2vda 3
37 1 . . . parsed_2vda 3
38 1 . . . parsed_2vda 3
39 1 . . . parsed_2vda 3
40 1 . . . parsed_2vda 3
41 1 . . . parsed_2vda 3
42 1 . . . parsed_2vda 3
43 1 . . . parsed_2vda 3
44 1 . . . parsed_2vda 3
45 1 . . . parsed_2vda 3
46 1 . . . parsed_2vda 3
47 1 . . . parsed_2vda 3
48 1 . . . parsed_2vda 3
49 1 . . . parsed_2vda 3
50 1 . . . parsed_2vda 3
51 1 . . . parsed_2vda 3
52 1 . . . parsed_2vda 3
53 1 . . . parsed_2vda 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 . . . . . . . . B 13 . HA parsed_2vda 3
1 1 2 . . . . . . . . B 16 . HB# parsed_2vda 3
2 1 1 . . . . . . . . B 13 . HA parsed_2vda 3
2 1 2 . . . . . . . . B 17 . HN parsed_2vda 3
3 1 1 . . . . . . . . B 14 . HN parsed_2vda 3
3 1 2 . . . . . . . . B 14 . HB# parsed_2vda 3
4 1 1 . . . . . . . . B 14 . HN parsed_2vda 3
4 1 2 . . . . . . . . B 15 . HN parsed_2vda 3
5 1 1 . . . . . . . . B 14 . HN parsed_2vda 3
5 1 2 . . . . . . . . B 16 . HN parsed_2vda 3
6 1 1 . . . . . . . . B 14 . HA parsed_2vda 3
6 1 2 . . . . . . . . B 18 . HN parsed_2vda 3
7 1 1 . . . . . . . . B 14 . HA parsed_2vda 3
7 1 2 . . . . . . . . B 17 . HB parsed_2vda 3
8 1 1 . . . . . . . . B 14 . HB# parsed_2vda 3
8 1 2 . . . . . . . . B 17 . HB parsed_2vda 3
9 1 1 . . . . . . . . B 15 . HN parsed_2vda 3
9 1 2 . . . . . . . . B 15 . HB parsed_2vda 3
10 1 1 . . . . . . . . B 15 . HN parsed_2vda 3
10 1 2 . . . . . . . . B 16 . HN parsed_2vda 3
11 1 1 . . . . . . . . B 15 . HN parsed_2vda 3
11 1 2 . . . . . . . . B 17 . HN parsed_2vda 3
12 1 1 . . . . . . . . B 15 . HA parsed_2vda 3
12 1 2 . . . . . . . . B 16 . HN parsed_2vda 3
13 1 1 . . . . . . . . B 15 . HA parsed_2vda 3
13 1 2 . . . . . . . . B 19 . HN parsed_2vda 3
14 1 1 . . . . . . . . B 15 . HA parsed_2vda 3
14 1 2 . . . . . . . . B 18 . HB# parsed_2vda 3
15 1 1 . . . . . . . . B 15 . HG1# parsed_2vda 3
15 1 2 . . . . . . . . B 16 . HN parsed_2vda 3
16 1 1 . . . . . . . . B 15 . HG1# parsed_2vda 3
16 1 2 . . . . . . . . B 18 . HN parsed_2vda 3
17 1 1 . . . . . . . . B 15 . HG1# parsed_2vda 3
17 1 2 . . . . . . . . B 19 . HB parsed_2vda 3
18 1 1 . . . . . . . . B 16 . HN parsed_2vda 3
18 1 2 . . . . . . . . B 16 . HA parsed_2vda 3
19 1 1 . . . . . . . . B 16 . HN parsed_2vda 3
19 1 2 . . . . . . . . B 16 . HB# parsed_2vda 3
20 1 1 . . . . . . . . B 16 . HN parsed_2vda 3
20 1 2 . . . . . . . . B 17 . HN parsed_2vda 3
21 1 1 . . . . . . . . B 16 . HN parsed_2vda 3
21 1 2 . . . . . . . . B 19 . HN parsed_2vda 3
22 1 1 . . . . . . . . B 16 . HN parsed_2vda 3
22 1 2 . . . . . . . . B 18 . HN parsed_2vda 3
23 1 1 . . . . . . . . B 16 . HA parsed_2vda 3
23 1 2 . . . . . . . . B 16 . HB# parsed_2vda 3
24 1 1 . . . . . . . . B 16 . HA parsed_2vda 3
24 1 2 . . . . . . . . B 19 . HB parsed_2vda 3
25 1 1 . . . . . . . . B 16 . HA parsed_2vda 3
25 1 2 . . . . . . . . B 18 . HN parsed_2vda 3
26 1 1 . . . . . . . . B 16 . HA parsed_2vda 3
26 1 2 . . . . . . . . B 20 . HN parsed_2vda 3
27 1 1 . . . . . . . . B 16 . HB# parsed_2vda 3
27 1 2 . . . . . . . . B 17 . HN parsed_2vda 3
28 1 1 . . . . . . . . B 17 . HN parsed_2vda 3
28 1 2 . . . . . . . . B 17 . HA parsed_2vda 3
29 1 1 . . . . . . . . B 17 . HN parsed_2vda 3
29 1 2 . . . . . . . . B 17 . HB# parsed_2vda 3
30 1 1 . . . . . . . . B 17 . HN parsed_2vda 3
30 1 2 . . . . . . . . B 18 . HN parsed_2vda 3
31 1 1 . . . . . . . . B 17 . HN parsed_2vda 3
31 1 2 . . . . . . . . B 19 . HN parsed_2vda 3
32 1 1 . . . . . . . . B 17 . HA parsed_2vda 3
32 1 2 . . . . . . . . B 21 . HN parsed_2vda 3
33 1 1 . . . . . . . . B 17 . HB parsed_2vda 3
33 1 2 . . . . . . . . B 18 . HN parsed_2vda 3
34 1 1 . . . . . . . . B 17 . HG1# parsed_2vda 3
34 1 2 . . . . . . . . B 21 . HN parsed_2vda 3
35 1 1 . . . . . . . . B 17 . HG1# parsed_2vda 3
35 1 2 . . . . . . . . B 21 . HB parsed_2vda 3
36 1 1 . . . . . . . . B 17 . HG1# parsed_2vda 3
36 1 2 . . . . . . . . B 21 . HG2# parsed_2vda 3
37 1 1 . . . . . . . . B 18 . HN parsed_2vda 3
37 1 2 . . . . . . . . B 19 . HN parsed_2vda 3
38 1 1 . . . . . . . . B 18 . HN parsed_2vda 3
38 1 2 . . . . . . . . B 20 . HN parsed_2vda 3
39 1 1 . . . . . . . . B 18 . HA parsed_2vda 3
39 1 2 . . . . . . . . B 21 . HB parsed_2vda 3
40 1 1 . . . . . . . . B 18 . HA parsed_2vda 3
40 1 2 . . . . . . . . B 20 . HN parsed_2vda 3
41 1 1 . . . . . . . . B 18 . HA parsed_2vda 3
41 1 2 . . . . . . . . B 21 . HG2# parsed_2vda 3
42 1 1 . . . . . . . . B 18 . HB# parsed_2vda 3
42 1 2 . . . . . . . . B 19 . HN parsed_2vda 3
43 1 1 . . . . . . . . B 18 . HB# parsed_2vda 3
43 1 2 . . . . . . . . B 21 . HB parsed_2vda 3
44 1 1 . . . . . . . . B 19 . HN parsed_2vda 3
44 1 2 . . . . . . . . B 20 . HN parsed_2vda 3
45 1 1 . . . . . . . . B 19 . HN parsed_2vda 3
45 1 2 . . . . . . . . B 21 . HN parsed_2vda 3
46 1 1 . . . . . . . . B 19 . HA parsed_2vda 3
46 1 2 . . . . . . . . B 21 . HN parsed_2vda 3
47 1 1 . . . . . . . . B 19 . HA parsed_2vda 3
47 1 2 . . . . . . . . B 22 . HN parsed_2vda 3
48 1 1 . . . . . . . . B 19 . HA parsed_2vda 3
48 1 2 . . . . . . . . B 22 . HB# parsed_2vda 3
49 1 1 . . . . . . . . B 19 . HB# parsed_2vda 3
49 1 2 . . . . . . . . B 20 . HN parsed_2vda 3
50 1 1 . . . . . . . . B 20 . HN parsed_2vda 3
50 1 2 . . . . . . . . B 21 . HN parsed_2vda 3
51 1 1 . . . . . . . . B 21 . HN parsed_2vda 3
51 1 2 . . . . . . . . B 22 . HN parsed_2vda 3
52 1 1 . . . . . . . . B 21 . HN parsed_2vda 3
52 1 2 . . . . . . . . B 21 . HA parsed_2vda 3
53 1 1 . . . . . . . . B 21 . HA parsed_2vda 3
53 1 2 . . . . . . . . B 21 . HB parsed_2vda 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 . . . . . 3.4 1.6 3.4 parsed_2vda 3
2 1 . . . . . 4.0 1.6 4.0 parsed_2vda 3
3 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
4 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
5 1 . . . . . 4.0 1.6 4.0 parsed_2vda 3
6 1 . . . . . 4.0 1.6 4.0 parsed_2vda 3
7 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
8 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
9 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
10 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
11 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
12 1 . . . . . 4.0 1.6 4.0 parsed_2vda 3
13 1 . . . . . 4.0 1.6 4.0 parsed_2vda 3
14 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
15 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
16 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
17 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
18 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
19 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
20 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
21 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
22 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
23 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
24 1 . . . . . 4.0 1.6 4.0 parsed_2vda 3
25 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
26 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
27 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
28 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
29 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
30 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
31 1 . . . . . 4.0 1.6 4.0 parsed_2vda 3
32 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
33 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
34 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
35 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
36 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
37 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
38 1 . . . . . 4.0 1.6 4.0 parsed_2vda 3
39 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
40 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
41 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
42 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
43 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
44 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
45 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
46 1 . . . . . 4.0 1.6 4.0 parsed_2vda 3
47 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
48 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
49 1 . . . . . 5.0 3.2 5.0 parsed_2vda 3
50 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
51 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
52 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
53 1 . . . . . 3.4 1.6 3.4 parsed_2vda 3
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 "Signal peptide constraints" 1 1 1 29 parsed_2vda 3
2 "Entry H atom name Submitted Coord H atom name" 55 92 55 148 parsed_2vda 3
stop_
save_
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