Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
589078 | 2n0n RC | 26537 | cing | 2-parsed | STAR | entry | full | 76 |
data_2n0n_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n0n
_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_2n0n 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n0n
_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 2n0n "Master copy" parsed_2n0n
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n0n
_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 2n0n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n0n 1
1 2n0n.mr . . XPLOR/CNS 2 distance NOE simple 66 parsed_2n0n 1
1 2n0n.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 10 parsed_2n0n 1
1 2n0n.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n0n 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_2n0n
_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 DE NOVO PROTEIN 10-MAR-15 2N0N
*TITLE NMR SOLUTION STRUCTURE FOR LACTAM (5,9) 11MER
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: LACTAM (5,9) 11MER PEPTIDE;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES
*KEYWDS DE NOVO PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR H.N.HOANG, K.SONG, T.A.HILL, D.R.DERKSEN, D.J.EDMONDS, W.M.KOK,
*AUTHOR 2 C.LIMBERAKIS, S.LIRAS, P.M.LORIA, V.MASCITTI, A.M.MATHIOWETZ,
*AUTHOR 3 J.M.MITCHELL, D.W.PIOTROWSKI, D.A.PRICE, R.V.STANTON, J.Y.SUEN,
*AUTHOR 4 J.M.WITHKA, D.A.GRIFFITH, D.P.FAIRLIE
*REVDAT 1 15-APR-15 2N0N 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n0n
_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_2n0n 1
2 1 . . . parsed_2n0n 1
3 1 . . . parsed_2n0n 1
4 1 . . . parsed_2n0n 1
5 1 . . . parsed_2n0n 1
6 1 . . . parsed_2n0n 1
7 1 . . . parsed_2n0n 1
8 1 . . . parsed_2n0n 1
9 1 . . . parsed_2n0n 1
10 1 . . . parsed_2n0n 1
11 1 . . . parsed_2n0n 1
12 1 . . . parsed_2n0n 1
13 1 . . . parsed_2n0n 1
14 1 . . . parsed_2n0n 1
15 1 . . . parsed_2n0n 1
16 1 . . . parsed_2n0n 1
17 1 . . . parsed_2n0n 1
18 1 . . . parsed_2n0n 1
19 1 . . . parsed_2n0n 1
20 1 . . . parsed_2n0n 1
21 1 . . . parsed_2n0n 1
22 1 . . . parsed_2n0n 1
23 1 . . . parsed_2n0n 1
24 1 . . . parsed_2n0n 1
25 1 . . . parsed_2n0n 1
26 1 . . . parsed_2n0n 1
27 1 . . . parsed_2n0n 1
28 1 . . . parsed_2n0n 1
29 1 . . . parsed_2n0n 1
30 1 . . . parsed_2n0n 1
31 1 . . . parsed_2n0n 1
32 1 . . . parsed_2n0n 1
33 1 . . . parsed_2n0n 1
34 1 . . . parsed_2n0n 1
35 1 . . . parsed_2n0n 1
36 1 . . . parsed_2n0n 1
37 1 . . . parsed_2n0n 1
38 1 . . . parsed_2n0n 1
39 1 . . . parsed_2n0n 1
40 1 . . . parsed_2n0n 1
41 1 . . . parsed_2n0n 1
42 1 . . . parsed_2n0n 1
43 1 . . . parsed_2n0n 1
44 1 . . . parsed_2n0n 1
45 1 . . . parsed_2n0n 1
46 1 . . . parsed_2n0n 1
47 1 . . . parsed_2n0n 1
48 1 . . . parsed_2n0n 1
49 1 . . . parsed_2n0n 1
50 1 . . . parsed_2n0n 1
51 1 . . . parsed_2n0n 1
52 1 . . . parsed_2n0n 1
53 1 . . . parsed_2n0n 1
54 1 . . . parsed_2n0n 1
55 1 . . . parsed_2n0n 1
56 1 . . . parsed_2n0n 1
57 1 . . . parsed_2n0n 1
58 1 . . . parsed_2n0n 1
59 1 . . . parsed_2n0n 1
60 1 . . . parsed_2n0n 1
61 1 . . . parsed_2n0n 1
62 1 . . . parsed_2n0n 1
63 1 . . . parsed_2n0n 1
64 1 . . . parsed_2n0n 1
65 1 . . . parsed_2n0n 1
66 1 . . . parsed_2n0n 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 1 . HA parsed_2n0n 1
1 1 2 . . . . . . . . . 2 . HN parsed_2n0n 1
2 1 1 . . . . . . . . . 2 . HB* parsed_2n0n 1
2 1 2 . . . . . . . . . 3 . HN parsed_2n0n 1
3 1 1 . . . . . . . . . 2 . HB* parsed_2n0n 1
3 1 2 . . . . . . . . . 4 . HN parsed_2n0n 1
4 1 1 . . . . . . . . . 3 . HA parsed_2n0n 1
4 1 2 . . . . . . . . . 4 . HN parsed_2n0n 1
5 1 1 . . . . . . . . . 3 . HA parsed_2n0n 1
5 1 2 . . . . . . . . . 5 . HN parsed_2n0n 1
6 1 1 . . . . . . . . . 3 . HA parsed_2n0n 1
6 1 2 . . . . . . . . . 6 . HN parsed_2n0n 1
7 1 1 . . . . . . . . . 3 . HA parsed_2n0n 1
7 1 2 . . . . . . . . . 7 . HN parsed_2n0n 1
8 1 1 . . . . . . . . . 3 . HN parsed_2n0n 1
8 1 2 . . . . . . . . . 4 . HN parsed_2n0n 1
9 1 1 . . . . . . . . . 3 . HB1 parsed_2n0n 1
9 1 2 . . . . . . . . . 4 . HN parsed_2n0n 1
10 1 1 . . . . . . . . . 3 . HB2 parsed_2n0n 1
10 1 2 . . . . . . . . . 4 . HN parsed_2n0n 1
11 1 1 . . . . . . . . . 3 . HB1 parsed_2n0n 1
11 1 2 . . . . . . . . . 5 . HN parsed_2n0n 1
12 1 1 . . . . . . . . . 3 . HA parsed_2n0n 1
12 1 2 . . . . . . . . . 6 . HB2 parsed_2n0n 1
13 1 1 . . . . . . . . . 4 . HA1 parsed_2n0n 1
13 1 2 . . . . . . . . . 5 . HN parsed_2n0n 1
14 1 1 . . . . . . . . . 4 . HA1 parsed_2n0n 1
14 1 2 . . . . . . . . . 6 . HN parsed_2n0n 1
15 1 1 . . . . . . . . . 4 . HA1 parsed_2n0n 1
15 1 2 . . . . . . . . . 7 . HN parsed_2n0n 1
16 1 1 . . . . . . . . . 4 . HN parsed_2n0n 1
16 1 2 . . . . . . . . . 5 . HN parsed_2n0n 1
17 1 1 . . . . . . . . . 4 . HA1 parsed_2n0n 1
17 1 2 . . . . . . . . . 7 . HB parsed_2n0n 1
18 1 1 . . . . . . . . . 5 . HA parsed_2n0n 1
18 1 2 . . . . . . . . . 6 . HN parsed_2n0n 1
19 1 1 . . . . . . . . . 5 . HA parsed_2n0n 1
19 1 2 . . . . . . . . . 7 . HN parsed_2n0n 1
20 1 1 . . . . . . . . . 5 . HA parsed_2n0n 1
20 1 2 . . . . . . . . . 8 . HN parsed_2n0n 1
21 1 1 . . . . . . . . . 5 . HA parsed_2n0n 1
21 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1
22 1 1 . . . . . . . . . 5 . HN parsed_2n0n 1
22 1 2 . . . . . . . . . 6 . HN parsed_2n0n 1
23 1 1 . . . . . . . . . 5 . HB* parsed_2n0n 1
23 1 2 . . . . . . . . . 6 . HN parsed_2n0n 1
24 1 1 . . . . . . . . . 5 . HB* parsed_2n0n 1
24 1 2 . . . . . . . . . 7 . HN parsed_2n0n 1
25 1 1 . . . . . . . . . 5 . HA parsed_2n0n 1
25 1 2 . . . . . . . . . 8 . HB* parsed_2n0n 1
26 1 1 . . . . . . . . . 5 . HZ1 parsed_2n0n 1
26 1 2 . . . . . . . . . 9 . HG1 parsed_2n0n 1
27 1 1 . . . . . . . . . 5 . HZ1 parsed_2n0n 1
27 1 2 . . . . . . . . . 9 . HG2 parsed_2n0n 1
28 1 1 . . . . . . . . . 5 . HA parsed_2n0n 1
28 1 2 . . . . . . . . . 5 . HZ1 parsed_2n0n 1
29 1 1 . . . . . . . . . 6 . HN parsed_2n0n 1
29 1 2 . . . . . . . . . 7 . HN parsed_2n0n 1
30 1 1 . . . . . . . . . 6 . HB1 parsed_2n0n 1
30 1 2 . . . . . . . . . 7 . HN parsed_2n0n 1
31 1 1 . . . . . . . . . 6 . HB2 parsed_2n0n 1
31 1 2 . . . . . . . . . 7 . HN parsed_2n0n 1
32 1 1 . . . . . . . . . 6 . HB2 parsed_2n0n 1
32 1 2 . . . . . . . . . 8 . HN parsed_2n0n 1
33 1 1 . . . . . . . . . 6 . HB1 parsed_2n0n 1
33 1 2 . . . . . . . . . 8 . HN parsed_2n0n 1
34 1 1 . . . . . . . . . 6 . HN parsed_2n0n 1
34 1 2 . . . . . . . . . 8 . HN parsed_2n0n 1
35 1 1 . . . . . . . . . 7 . HA parsed_2n0n 1
35 1 2 . . . . . . . . . 8 . HN parsed_2n0n 1
36 1 1 . . . . . . . . . 7 . HA parsed_2n0n 1
36 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1
37 1 1 . . . . . . . . . 7 . HA parsed_2n0n 1
37 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1
38 1 1 . . . . . . . . . 7 . HA parsed_2n0n 1
38 1 2 . . . . . . . . . 11 . HN parsed_2n0n 1
39 1 1 . . . . . . . . . 7 . HN parsed_2n0n 1
39 1 2 . . . . . . . . . 8 . HN parsed_2n0n 1
40 1 1 . . . . . . . . . 7 . HN parsed_2n0n 1
40 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1
41 1 1 . . . . . . . . . 7 . HB parsed_2n0n 1
41 1 2 . . . . . . . . . 8 . HN parsed_2n0n 1
42 1 1 . . . . . . . . . 7 . HB parsed_2n0n 1
42 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1
43 1 1 . . . . . . . . . 7 . HA parsed_2n0n 1
43 1 2 . . . . . . . . . 5 . HZ1 parsed_2n0n 1
44 1 1 . . . . . . . . . 8 . HA parsed_2n0n 1
44 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1
45 1 1 . . . . . . . . . 8 . HA parsed_2n0n 1
45 1 2 . . . . . . . . . 11 . HN parsed_2n0n 1
46 1 1 . . . . . . . . . 8 . HA parsed_2n0n 1
46 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1
47 1 1 . . . . . . . . . 8 . HA parsed_2n0n 1
47 1 2 . . . . . . . . . 11 . H2 parsed_2n0n 1
48 1 1 . . . . . . . . . 8 . HN parsed_2n0n 1
48 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1
49 1 1 . . . . . . . . . 8 . HB1 parsed_2n0n 1
49 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1
50 1 1 . . . . . . . . . 8 . HB2 parsed_2n0n 1
50 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1
51 1 1 . . . . . . . . . 8 . HB1 parsed_2n0n 1
51 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1
52 1 1 . . . . . . . . . 8 . HB2 parsed_2n0n 1
52 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1
53 1 1 . . . . . . . . . 9 . HA parsed_2n0n 1
53 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1
54 1 1 . . . . . . . . . 9 . HN parsed_2n0n 1
54 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1
55 1 1 . . . . . . . . . 9 . HA parsed_2n0n 1
55 1 2 . . . . . . . . . 11 . H2 parsed_2n0n 1
56 1 1 . . . . . . . . . 9 . HA parsed_2n0n 1
56 1 2 . . . . . . . . . 11 . HN parsed_2n0n 1
57 1 1 . . . . . . . . . 9 . HN parsed_2n0n 1
57 1 2 . . . . . . . . . 11 . HN parsed_2n0n 1
58 1 1 . . . . . . . . . 9 . HB1 parsed_2n0n 1
58 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1
59 1 1 . . . . . . . . . 9 . HB2 parsed_2n0n 1
59 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1
60 1 1 . . . . . . . . . 10 . HA parsed_2n0n 1
60 1 2 . . . . . . . . . 11 . HN parsed_2n0n 1
61 1 1 . . . . . . . . . 10 . HN parsed_2n0n 1
61 1 2 . . . . . . . . . 11 . HN parsed_2n0n 1
62 1 1 . . . . . . . . . 10 . HN parsed_2n0n 1
62 1 2 . . . . . . . . . 11 . H2 parsed_2n0n 1
63 1 1 . . . . . . . . . 11 . HA parsed_2n0n 1
63 1 2 . . . . . . . . . 11 . H1 parsed_2n0n 1
64 1 1 . . . . . . . . . 11 . HA parsed_2n0n 1
64 1 2 . . . . . . . . . 11 . H2 parsed_2n0n 1
65 1 1 . . . . . . . . . 11 . HN parsed_2n0n 1
65 1 2 . . . . . . . . . 11 . H1 parsed_2n0n 1
66 1 1 . . . . . . . . . 11 . HN parsed_2n0n 1
66 1 2 . . . . . . . . . 11 . H2 parsed_2n0n 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 6.0 parsed_2n0n 1
2 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
3 1 . . . . . 0.0 0.0 6.5 parsed_2n0n 1
4 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1
5 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
6 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
7 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
8 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1
9 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
10 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
11 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
12 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
13 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
14 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
15 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
16 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1
17 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
18 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
19 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
20 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
21 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
22 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1
23 1 . . . . . 0.0 0.0 4.5 parsed_2n0n 1
24 1 . . . . . 0.0 0.0 7.0 parsed_2n0n 1
25 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
26 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1
27 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1
28 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
29 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1
30 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1
31 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1
32 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
33 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
34 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
35 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
36 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
37 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
38 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
39 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1
40 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
41 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
42 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
43 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
44 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
45 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
46 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
47 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
48 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1
49 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
50 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
51 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
52 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
53 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1
54 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1
55 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
56 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
57 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
58 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
59 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
60 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
61 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1
62 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
63 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
64 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1
65 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1
66 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 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
;
DapARA-NH2 cyclic NOE Assignment Table (from visual inspection)
H A E G T F T S D F F NH2 10(S) 9-7(M) 6-4 (W) and 3-1 (vW)
H1
;
1 1 5 4 parsed_2n0n 1
2
;
2 vw
aib2
;
6 74 8 6 parsed_2n0n 1
3 "(10)s + 1.5 corr" 9 75 9 93 parsed_2n0n 1
4
;
(5)w + 1.5 corr
E3
;
10 75 12 4 parsed_2n0n 1
5 (9)m 13 76 13 82 parsed_2n0n 1
6 "3 vw" 14 76 14 82 parsed_2n0n 1
7 "3 vw" 15 80 15 86 parsed_2n0n 1
8 "1 vw" 16 80 16 86 parsed_2n0n 1
9 (8)m 17 76 17 82 parsed_2n0n 1
10 (4)w 18 76 18 82 parsed_2n0n 1
11 (4)w 19 76 19 82 parsed_2n0n 1
12 "1 vw" 20 77 20 83 parsed_2n0n 1
13
;
1 vw
G4
;
21 81 23 4 parsed_2n0n 1
14 (6)w 24 80 24 86 parsed_2n0n 1
15 (2)vw 25 80 25 87 parsed_2n0n 1
16 (3)vw 26 80 26 87 parsed_2n0n 1
17 (7)m 27 80 27 86 parsed_2n0n 1
18
;
2 vw
K5
;
28 81 30 4 parsed_2n0n 1
19 (6)w 31 79 31 85 parsed_2n0n 1
20 (5)w 32 79 32 85 parsed_2n0n 1
21 (4)w 33 79 33 85 parsed_2n0n 1
22 (1)w 34 79 34 85 parsed_2n0n 1
23 (9)m 35 79 35 85 parsed_2n0n 1
24 "(8)m +1" 36 79 36 89 parsed_2n0n 1
25 "(3)vw +1" 37 79 37 89 parsed_2n0n 1
26 "4 w+1" 38 79 38 87 parsed_2n0n 1
27 "8 m" 39 79 39 84 parsed_2n0n 1
28 "8 m" 40 79 40 84 parsed_2n0n 1
29
;
5 w
F6
;
41 79 43 4 parsed_2n0n 1
30 "(8) m" 44 79 44 86 parsed_2n0n 1
31 (8)m 45 79 45 85 parsed_2n0n 1
32 "8 m" 46 79 46 84 parsed_2n0n 1
33 "3 vw" 47 79 47 85 parsed_2n0n 1
34 "1 vw" 48 79 48 85 parsed_2n0n 1
35
;
(2)vw
T7
;
49 79 51 4 parsed_2n0n 1
36 (6)w 52 79 52 85 parsed_2n0n 1
37 (3)vw 53 79 53 86 parsed_2n0n 1
38 (5)w 54 79 54 85 parsed_2n0n 1
39 (5)w 55 79 55 85 parsed_2n0n 1
40 (8)m 56 79 56 85 parsed_2n0n 1
41 (2)vw 57 79 57 86 parsed_2n0n 1
42 (5)w 58 79 58 85 parsed_2n0n 1
43 (1)vw 59 79 59 86 parsed_2n0n 1
44
;
(5 w
S8
;
60 80 63 4 parsed_2n0n 1
45 (6)w 64 79 64 85 parsed_2n0n 1
46 (2)vw 65 79 65 86 parsed_2n0n 1
47 (3)vw 66 79 66 86 parsed_2n0n 1
48 (1)vw 67 79 67 87 parsed_2n0n 1
49 (8)m 68 79 68 85 parsed_2n0n 1
50 "(5 w" 69 79 69 85 parsed_2n0n 1
51 "(5 w" 70 79 70 85 parsed_2n0n 1
52 "(1 vw" 71 80 71 87 parsed_2n0n 1
53
;
(1 vw
D9
;
72 80 75 4 parsed_2n0n 1
54 "(7 m" 76 79 76 85 parsed_2n0n 1
55 (8)m 77 79 77 85 parsed_2n0n 1
56 "3 vw" 78 79 78 85 parsed_2n0n 1
57 "3 vw" 79 79 79 85 parsed_2n0n 1
58 "2 vw" 80 79 80 85 parsed_2n0n 1
59 (6)w 81 80 81 86 parsed_2n0n 1
60
;
(6)w
F10
;
82 80 85 5 parsed_2n0n 1
61 (4)w 86 79 86 85 parsed_2n0n 1
62 (8)m 87 79 87 85 parsed_2n0n 1
63
;
(3)vw
F11
;
88 79 91 5 parsed_2n0n 1
64 3)w 92 79 92 85 parsed_2n0n 1
65 3)w 93 79 93 84 parsed_2n0n 1
66 (5)m 94 79 94 86 parsed_2n0n 1
67 (5)w 95 79 95 85 parsed_2n0n 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n0n
_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_2n0n 2
2 1 . . . parsed_2n0n 2
3 1 . . . parsed_2n0n 2
4 1 . . . parsed_2n0n 2
5 1 . . . parsed_2n0n 2
6 1 . . . parsed_2n0n 2
7 1 . . . parsed_2n0n 2
8 1 . . . parsed_2n0n 2
9 1 . . . parsed_2n0n 2
10 1 . . . parsed_2n0n 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 . . . . . . . . . 2 . O parsed_2n0n 2
1 1 2 . . . . . . . . . 5 . HN parsed_2n0n 2
2 1 1 . . . . . . . . . 2 . O parsed_2n0n 2
2 1 2 . . . . . . . . . 5 . N parsed_2n0n 2
3 1 1 . . . . . . . . . 4 . O parsed_2n0n 2
3 1 2 . . . . . . . . . 8 . HN parsed_2n0n 2
4 1 1 . . . . . . . . . 4 . O parsed_2n0n 2
4 1 2 . . . . . . . . . 8 . N parsed_2n0n 2
5 1 1 . . . . . . . . . 6 . O parsed_2n0n 2
5 1 2 . . . . . . . . . 10 . HN parsed_2n0n 2
6 1 1 . . . . . . . . . 6 . O parsed_2n0n 2
6 1 2 . . . . . . . . . 10 . N parsed_2n0n 2
7 1 1 . . . . . . . . . 5 . O parsed_2n0n 2
7 1 2 . . . . . . . . . 9 . HN parsed_2n0n 2
8 1 1 . . . . . . . . . 5 . O parsed_2n0n 2
8 1 2 . . . . . . . . . 9 . N parsed_2n0n 2
9 1 1 . . . . . . . . . 8 . O parsed_2n0n 2
9 1 2 . . . . . . . . . 11 . H2 parsed_2n0n 2
10 1 1 . . . . . . . . . 8 . O parsed_2n0n 2
10 1 2 . . . . . . . . . 11 . NT parsed_2n0n 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 . . . . . 1.88 1.58 2.50 parsed_2n0n 2
2 1 . . . . . 2.88 2.58 3.50 parsed_2n0n 2
3 1 . . . . . 1.88 1.58 2.30 parsed_2n0n 2
4 1 . . . . . 2.88 2.58 3.30 parsed_2n0n 2
5 1 . . . . . 1.88 1.58 2.30 parsed_2n0n 2
6 1 . . . . . 2.88 2.58 3.30 parsed_2n0n 2
7 1 . . . . . 1.88 1.58 2.30 parsed_2n0n 2
8 1 . . . . . 2.88 2.58 3.30 parsed_2n0n 2
9 1 . . . . . 1.88 1.58 2.30 parsed_2n0n 2
10 1 . . . . . 2.88 2.58 3.30 parsed_2n0n 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
;
H-Bonds
assign (resid 2 and name O )(resid 5 and name HN ) 1.88 0.3 0.42
assign (resid 2 and name O )(resid 5 and name N ) 2.88 0.3 0.42
assign (resid 5 and name O )(resid 8 and name HN ) 1.88 0.3 0.42
assign (resid 5 and name O )(resid 8 and name N ) 2.88 0.3 0.42
assign (resid 7 and name O )(resid 10 and name HN ) 1.88 0.3 0.42
assign (resid 7 and name O )(resid 10 and name N ) 2.88 0.3 0.42
assign (resid 2 and name O )(resid 4 and name HN ) 1.88 0.3 0.42
assign (resid 2 and name O )(resid 4 and name N ) 2.88 0.3 0.42
assign (resid 6 and name O )(resid 9 and name HN ) 1.88 0.3 0.42
assign (resid 6 and name O )(resid 9 and name N ) 2.88 0.3 0.42
assign (resid 9 and name O )(resid 11 and name H1 ) 1.88 0.3 0.42
assign (resid 9 and name O )(resid 11 and name NT ) 2.88 0.3 0.42
;
1 1 19 77 parsed_2n0n 2
2
;
assign (resid 1 and name O )(resid 4 and name HN ) 1.88 0.3 0.42
assign (resid 1 and name O )(resid 4 and name N ) 2.88 0.3 0.42
;
30 1 31 75 parsed_2n0n 2
stop_
save_