NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
623114 |
6b35   |
30347 | cing | 2-parsed | STAR | entry | full | 69 |
data_6b35_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6b35
_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_6b35 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6b35
_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 6b35 "Master copy" parsed_6b35
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6b35
_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 6b35.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6b35 1
1 6b35.mr . . XPLOR/CNS 2 distance NOE simple 60 parsed_6b35 1
1 6b35.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 7 parsed_6b35 1
1 6b35.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 2 parsed_6b35 1
1 6b35.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6b35 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_6b35
_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 ANTIMICROBIAL PROTEIN 20-SEP-17 6B35
*TITLE NMR ENSEMBLE OF TYROCIDINE A ANALOGUE AC3.28
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: TYROCIDINE A ANALOGUE D-PHE-BE2-PHE-D-PHE-ASN-LYS-TYR-VAL-
*COMPND 3 ORN-LEU;
*COMPND 4 CHAIN: A;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: BREVIBACILLUS BREVIS;
*SOURCE 4 ORGANISM_TAXID: 1393;
*SOURCE 5 OTHER_DETAILS: SYNTHETIC ANALOGUE OF TYROCIDINE A. SEQUENCE IS
*SOURCE 6 ALTERED AT 2 POSITIONS RELATIVE TO NATURAL PRODUCT.
*KEYWDS TYROCIDINE A ANTIMICROBIAL PEPTIDE AMP CYCLIC PEPTIDE 2-AMINOBENZOIC
*KEYWDS 2 ACID 2-ABZ ANTHRANILIC ACID, ANTIMICROBIAL PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 8
*AUTHOR A.J.CAMERON,P.J.B.EWDARDS,E.HARJES,V.SAROJINI
*REVDAT 1 06-DEC-17 6B35 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6b35
_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_6b35 1
2 1 . . . parsed_6b35 1
3 1 . . . parsed_6b35 1
4 1 . . . parsed_6b35 1
5 1 . . . parsed_6b35 1
6 1 . . . parsed_6b35 1
7 1 . . . parsed_6b35 1
8 1 . . . parsed_6b35 1
9 1 . . . parsed_6b35 1
10 1 . . . parsed_6b35 1
11 1 . . . parsed_6b35 1
12 1 . . . parsed_6b35 1
13 1 . . . parsed_6b35 1
14 1 . . . parsed_6b35 1
15 1 . . . parsed_6b35 1
16 1 . . . parsed_6b35 1
17 1 . . . parsed_6b35 1
18 1 . . . parsed_6b35 1
19 1 . . . parsed_6b35 1
20 1 . . . parsed_6b35 1
21 1 . . . parsed_6b35 1
22 1 . . . parsed_6b35 1
23 1 . . . parsed_6b35 1
24 1 . . . parsed_6b35 1
25 1 . . . parsed_6b35 1
26 1 . . . parsed_6b35 1
27 1 . . . parsed_6b35 1
28 1 . . . parsed_6b35 1
29 1 . . . parsed_6b35 1
30 1 . . . parsed_6b35 1
31 1 . . . parsed_6b35 1
32 1 . . . parsed_6b35 1
33 1 . . . parsed_6b35 1
34 1 . . . parsed_6b35 1
35 1 . . . parsed_6b35 1
36 1 . . . parsed_6b35 1
37 1 . . . parsed_6b35 1
38 1 . . . parsed_6b35 1
39 1 . . . parsed_6b35 1
40 1 . . . parsed_6b35 1
41 1 . . . parsed_6b35 1
42 1 . . . parsed_6b35 1
43 1 . . . parsed_6b35 1
44 1 . . . parsed_6b35 1
45 1 . . . parsed_6b35 1
46 1 . . . parsed_6b35 1
47 1 . . . parsed_6b35 1
48 1 . . . parsed_6b35 1
49 1 . . . parsed_6b35 1
50 1 . . . parsed_6b35 1
51 1 . . . parsed_6b35 1
52 1 . . . parsed_6b35 1
53 1 . . . parsed_6b35 1
54 1 . . . parsed_6b35 1
55 1 . . . parsed_6b35 1
56 1 . . . parsed_6b35 1
57 1 . . . parsed_6b35 1
58 1 . . . parsed_6b35 1
59 1 . . . parsed_6b35 1
60 1 . . . parsed_6b35 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 . . . . . . . . . 9 . HN parsed_6b35 1
1 1 2 . . . . . . . . . 8 . HA parsed_6b35 1
2 1 1 . . . . . . . . . 8 . HN parsed_6b35 1
2 1 2 . . . . . . . . . 8 . HA parsed_6b35 1
3 1 1 . . . . . . . . . 7 . HB1 parsed_6b35 1
3 1 2 . . . . . . . . . 7 . HA parsed_6b35 1
4 1 1 . . . . . . . . . 7 . HB2 parsed_6b35 1
4 1 2 . . . . . . . . . 7 . HA parsed_6b35 1
5 1 1 . . . . . . . . . 8 . HN parsed_6b35 1
5 1 2 . . . . . . . . . 7 . HA parsed_6b35 1
6 1 1 . . . . . . . . . 7 . HN parsed_6b35 1
6 1 2 . . . . . . . . . 6 . HA parsed_6b35 1
7 1 1 . . . . . . . . . 6 . HN parsed_6b35 1
7 1 2 . . . . . . . . . 6 . HA parsed_6b35 1
8 1 1 . . . . . . . . . 5 . HA parsed_6b35 1
8 1 2 . . . . . . . . . 6 . HN parsed_6b35 1
9 1 1 . . . . . . . . . 5 . HA parsed_6b35 1
9 1 2 . . . . . . . . . 5 . HN parsed_6b35 1
10 1 1 . . . . . . . . . 1 . HN parsed_6b35 1
10 1 2 . . . . . . . . . 1 . HA parsed_6b35 1
11 1 1 . . . . . . . . . 1 . HN parsed_6b35 1
11 1 2 . . . . . . . . . 10 . HA parsed_6b35 1
12 1 1 . . . . . . . . . 1 . HB1 parsed_6b35 1
12 1 2 . . . . . . . . . 1 . HN parsed_6b35 1
13 1 1 . . . . . . . . . 10 . HB1 parsed_6b35 1
13 1 1 . . . . . . . . . 10 . HB2 parsed_6b35 1
13 1 2 . . . . . . . . . 1 . HN parsed_6b35 1
14 1 1 . . . . . . . . . 1 . HN parsed_6b35 1
14 1 2 . . . . . . . . . 2 . H parsed_6b35 1
15 1 1 . . . . . . . . . 1 . HA parsed_6b35 1
15 1 2 . . . . . . . . . 2 . H parsed_6b35 1
16 1 1 . . . . . . . . . 1 . HB2 parsed_6b35 1
16 1 2 . . . . . . . . . 2 . H parsed_6b35 1
17 1 1 . . . . . . . . . 2 . H parsed_6b35 1
17 1 2 . . . . . . . . . 1 . HB1 parsed_6b35 1
18 1 1 . . . . . . . . . 1 . HB1 parsed_6b35 1
18 1 1 . . . . . . . . . 4 . HB2 parsed_6b35 1
18 1 2 . . . . . . . . . 2 . H parsed_6b35 1
19 1 1 . . . . . . . . . 8 . HN parsed_6b35 1
19 1 2 . . . . . . . . . 7 . HB1 parsed_6b35 1
20 1 1 . . . . . . . . . 7 . HB2 parsed_6b35 1
20 1 2 . . . . . . . . . 8 . HN parsed_6b35 1
21 1 1 . . . . . . . . . 8 . HN parsed_6b35 1
21 1 2 . . . . . . . . . 8 . HG1# parsed_6b35 1
21 1 2 . . . . . . . . . 8 . HG2# parsed_6b35 1
22 1 1 . . . . . . . . . 8 . HB parsed_6b35 1
22 1 2 . . . . . . . . . 8 . HN parsed_6b35 1
23 1 1 . . . . . . . . . 5 . HN parsed_6b35 1
23 1 2 . . . . . . . . . 4 . HB1 parsed_6b35 1
24 1 1 . . . . . . . . . 5 . HN parsed_6b35 1
24 1 2 . . . . . . . . . 5 . HB1 parsed_6b35 1
25 1 1 . . . . . . . . . 5 . HN parsed_6b35 1
25 1 2 . . . . . . . . . 5 . HB2 parsed_6b35 1
26 1 1 . . . . . . . . . 10 . HN parsed_6b35 1
26 1 2 . . . . . . . . . 10 . HB1 parsed_6b35 1
26 1 2 . . . . . . . . . 10 . HB2 parsed_6b35 1
27 1 1 . . . . . . . . . 5 . HN parsed_6b35 1
27 1 2 . . . . . . . . . 8 . HB parsed_6b35 1
28 1 1 . . . . . . . . . 5 . HN parsed_6b35 1
28 1 2 . . . . . . . . . 9 . HA parsed_6b35 1
29 1 1 . . . . . . . . . 10 . HN parsed_6b35 1
29 1 2 . . . . . . . . . 10 . HA parsed_6b35 1
30 1 1 . . . . . . . . . 4 . HA parsed_6b35 1
30 1 2 . . . . . . . . . 10 . HN parsed_6b35 1
31 1 1 . . . . . . . . . 7 . HD# parsed_6b35 1
31 1 2 . . . . . . . . . 7 . HB2 parsed_6b35 1
32 1 1 . . . . . . . . . 7 . HB1 parsed_6b35 1
32 1 2 . . . . . . . . . 7 . HD# parsed_6b35 1
33 1 1 . . . . . . . . . 5 . HD22 parsed_6b35 1
33 1 2 . . . . . . . . . 8 . HG1# parsed_6b35 1
33 1 2 . . . . . . . . . 8 . HG2# parsed_6b35 1
34 1 1 . . . . . . . . . 5 . HD22 parsed_6b35 1
34 1 2 . . . . . . . . . 5 . HB2 parsed_6b35 1
35 1 1 . . . . . . . . . 5 . HN parsed_6b35 1
35 1 2 . . . . . . . . . 4 . HA parsed_6b35 1
36 1 1 . . . . . . . . . 4 . HA parsed_6b35 1
36 1 2 . . . . . . . . . 4 . HN parsed_6b35 1
37 1 1 . . . . . . . . . 3 . HA parsed_6b35 1
37 1 2 . . . . . . . . . 4 . HN parsed_6b35 1
38 1 1 . . . . . . . . . 4 . HA parsed_6b35 1
38 1 2 . . . . . . . . . 9 . HA parsed_6b35 1
39 1 1 . . . . . . . . . 1 . HB2 parsed_6b35 1
39 1 2 . . . . . . . . . 1 . HA parsed_6b35 1
40 1 1 . . . . . . . . . 4 . HA parsed_6b35 1
40 1 2 . . . . . . . . . 4 . HB1 parsed_6b35 1
40 1 2 . . . . . . . . . 4 . HB2 parsed_6b35 1
41 1 1 . . . . . . . . . 5 . HB1 parsed_6b35 1
41 1 2 . . . . . . . . . 5 . HA parsed_6b35 1
42 1 1 . . . . . . . . . 5 . HA parsed_6b35 1
42 1 2 . . . . . . . . . 5 . HB2 parsed_6b35 1
43 1 1 . . . . . . . . . 8 . HB parsed_6b35 1
43 1 2 . . . . . . . . . 8 . HA parsed_6b35 1
44 1 1 . . . . . . . . . 9 . HB1 parsed_6b35 1
44 1 2 . . . . . . . . . 9 . HA parsed_6b35 1
45 1 1 . . . . . . . . . 9 . HB2 parsed_6b35 1
45 1 2 . . . . . . . . . 9 . HA parsed_6b35 1
46 1 1 . . . . . . . . . 9 . HG1 parsed_6b35 1
46 1 1 . . . . . . . . . 9 . HG2 parsed_6b35 1
46 1 2 . . . . . . . . . 9 . HA parsed_6b35 1
47 1 1 . . . . . . . . . 10 . HB1 parsed_6b35 1
47 1 1 . . . . . . . . . 10 . HB2 parsed_6b35 1
47 1 2 . . . . . . . . . 10 . HA parsed_6b35 1
48 1 1 . . . . . . . . . 10 . HD1# parsed_6b35 1
48 1 2 . . . . . . . . . 10 . HA parsed_6b35 1
49 1 1 . . . . . . . . . 10 . HD2# parsed_6b35 1
49 1 2 . . . . . . . . . 10 . HA parsed_6b35 1
50 1 1 . . . . . . . . . 8 . HG1# parsed_6b35 1
50 1 1 . . . . . . . . . 8 . HG2# parsed_6b35 1
50 1 2 . . . . . . . . . 8 . HA parsed_6b35 1
51 1 1 . . . . . . . . . 1 . HB1 parsed_6b35 1
51 1 2 . . . . . . . . . 1 . HB2 parsed_6b35 1
52 1 1 . . . . . . . . . 5 . HB1 parsed_6b35 1
52 1 2 . . . . . . . . . 5 . HB2 parsed_6b35 1
53 1 1 . . . . . . . . . 1 . HN parsed_6b35 1
53 1 2 . . . . . . . . . 1 . HB2 parsed_6b35 1
54 1 1 . . . . . . . . . 5 . HD21 parsed_6b35 1
54 1 2 . . . . . . . . . 5 . HD22 parsed_6b35 1
55 1 1 . . . . . . . . . 7 . HD# parsed_6b35 1
55 1 2 . . . . . . . . . 7 . HA parsed_6b35 1
56 1 1 . . . . . . . . . 5 . HB2 parsed_6b35 1
56 1 2 . . . . . . . . . 5 . HD21 parsed_6b35 1
57 1 1 . . . . . . . . . 9 . HB2 parsed_6b35 1
57 1 2 . . . . . . . . . 10 . HN parsed_6b35 1
58 1 1 . . . . . . . . . 9 . HB1 parsed_6b35 1
58 1 2 . . . . . . . . . 10 . HN parsed_6b35 1
59 1 1 . . . . . . . . . 9 . HG1 parsed_6b35 1
59 1 1 . . . . . . . . . 9 . HG2 parsed_6b35 1
59 1 2 . . . . . . . . . 9 . HE# parsed_6b35 1
60 1 1 . . . . . . . . . 8 . HN parsed_6b35 1
60 1 2 . . . . . . . . . 5 . HN parsed_6b35 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 . 2 4903186.000 . . 2.3 1.8 2.8 parsed_6b35 1
2 1 . 3 1227286.000 . . 2.9 2.3 3.5 parsed_6b35 1
3 1 . 4 3428384.000 . . 2.4 1.9 2.9 parsed_6b35 1
4 1 . 5 1155052.000 . . 2.9 2.3 3.5 parsed_6b35 1
5 1 . 6 858302.000 . . 3.1 2.5 3.7 parsed_6b35 1
6 1 . 7 985998.000 . . 3.0 2.4 3.6 parsed_6b35 1
7 1 . 8 2039522.000 . . 2.7 2.2 3.2 parsed_6b35 1
8 1 . 9 3391552.000 . . 2.4 1.9 2.9 parsed_6b35 1
9 1 . 10 1140856.000 . . 2.9 2.3 3.5 parsed_6b35 1
10 1 . 12 1294344.000 . . 2.9 2.3 3.5 parsed_6b35 1
11 1 . 13 4879244.000 . . 2.3 1.8 2.8 parsed_6b35 1
12 1 . 15 3091294.000 . . 2.5 2.0 3.0 parsed_6b35 1
13 1 . 17 1135016.000 . . 2.9 2.3 3.5 parsed_6b35 1
14 1 . 18 431082.000 . . 3.4 2.7 4.1 parsed_6b35 1
15 1 . 21 515044.000 . . 3.0 2.4 3.6 parsed_6b35 1
16 1 . 22 216522.000 . . 3.9 3.1 4.7 parsed_6b35 1
17 1 . 23 221508.000 . . 3.8 3.0 4.6 parsed_6b35 1
18 1 . 24 119304.000 . . 4.3 3.4 5.2 parsed_6b35 1
19 1 . 26 334110.000 . . 3.6 2.9 4.3 parsed_6b35 1
20 1 . 27 916942.000 . . 3.0 2.4 3.6 parsed_6b35 1
21 1 . 32 1313552.000 . . 2.8 2.2 3.4 parsed_6b35 1
22 1 . 33 1307178.000 . . 2.9 2.3 3.5 parsed_6b35 1
23 1 . 34 683268.000 . . 3.2 2.6 3.8 parsed_6b35 1
24 1 . 35 298712.000 . . 3.7 3.0 4.4 parsed_6b35 1
25 1 . 36 606528.000 . . 3.3 2.6 4.0 parsed_6b35 1
26 1 . 38 2163700.000 . . 2.6 2.1 3.1 parsed_6b35 1
27 1 . 39 88028.000 . . 4.5 3.6 5.4 parsed_6b35 1
28 1 . 40 169932.000 . . 4.0 3.2 4.8 parsed_6b35 1
29 1 . 41 4180560.000 . . 2.4 1.9 2.9 parsed_6b35 1
30 1 . 42 417724.000 . . 3.5 2.8 4.2 parsed_6b35 1
31 1 . 44 3656996.000 . . 2.4 1.9 2.9 parsed_6b35 1
32 1 . 47 2001062.000 . . 2.5 2.0 3.0 parsed_6b35 1
33 1 . 49 325096.000 . . 3.6 2.9 4.3 parsed_6b35 1
34 1 . 50 162536.000 . . 4.1 3.3 4.9 parsed_6b35 1
35 1 . 51 2891980.000 . . 2.4 1.9 2.9 parsed_6b35 1
36 1 . 53 919118.000 . . 2.8 2.2 3.4 parsed_6b35 1
37 1 . 56 4848864.000 . . 2.3 1.8 2.8 parsed_6b35 1
38 1 . 58 1048788.000 . . 3.0 2.4 3.6 parsed_6b35 1
39 1 . 59 1448132.000 . . 2.6 2.1 3.1 parsed_6b35 1
40 1 . 61 3559812.000 . . 2.4 1.9 2.9 parsed_6b35 1
41 1 . 64 2267408.000 . . 2.6 2.1 3.1 parsed_6b35 1
42 1 . 66 2954682.000 . . 2.5 2.0 3.0 parsed_6b35 1
43 1 . 67 1969190.000 . . 2.7 2.2 3.2 parsed_6b35 1
44 1 . 68 1637178.000 . . 2.8 2.2 3.4 parsed_6b35 1
45 1 . 69 1075826.000 . . 3.0 2.4 3.6 parsed_6b35 1
46 1 . 70 1567608.000 . . 2.8 2.2 3.4 parsed_6b35 1
47 1 . 71 5026326.000 . . 2.3 1.8 2.8 parsed_6b35 1
48 1 . 72 2735600.000 . . 2.5 2.0 3.0 parsed_6b35 1
49 1 . 73 1309090.000 . . 2.9 2.3 3.5 parsed_6b35 1
50 1 . 74 4018462.000 . . 2.4 1.9 2.9 parsed_6b35 1
51 1 . 76 21548916.000 . . 1.8 1.7 2.2 parsed_6b35 1
52 1 . 78 9168116.000 . . 2.0 1.7 2.4 parsed_6b35 1
53 1 . 79 381134.000 . . 3.5 2.8 4.2 parsed_6b35 1
54 1 . 83 2133158.000 . . 2.6 2.1 3.1 parsed_6b35 1
55 1 . 84 3189722.000 . . 2.5 2.0 3.0 parsed_6b35 1
56 1 . 85 1145826.000 . . 2.8 2.2 3.4 parsed_6b35 1
57 1 . 88 288090.000 . . 3.7 3.0 4.4 parsed_6b35 1
58 1 . 89 269390.000 . . 3.6 2.9 4.3 parsed_6b35 1
59 1 . 91 682938.000 . . 3.2 2.6 3.8 parsed_6b35 1
60 1 . 93 130746.000 . . 4.0 3.2 4.8 parsed_6b35 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: ensemble.tbl" 1 1 1 33 parsed_6b35 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6b35
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155 -85 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6b35 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6b35 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6b35 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6b35 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -95.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6b35 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -95.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6b35 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -95.0 . . 10 . C . 10 . N . 1 . CA . 1 . C parsed_6b35 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
dihed
dyhed
;
1 1 2 7 parsed_6b35 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6b35
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_6b35 2
2 1 . . . parsed_6b35 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 . . . . . . . . . 8 . C parsed_6b35 2
1 1 2 . . . . . . . . . 5 . N parsed_6b35 2
2 1 1 . . . . . . . . . 8 . O parsed_6b35 2
2 1 2 . . . . . . . . . 5 . HN parsed_6b35 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 . . . . . 2.85 1.70 4.00 parsed_6b35 2
2 1 . . . . . 1.9 1.8 2.0 parsed_6b35 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 hbond 1 1 1 7 parsed_6b35 2
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 1, 2024 12:40:56 AM GMT (wattos1)