NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
623679 |
6ben   |
30357 | cing | 2-parsed | STAR | entry | full | 88 |
data_6ben_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ben
_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_6ben 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ben
_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 6ben "Master copy" parsed_6ben
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ben
_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 6ben.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ben 1
1 6ben.mr . . XPLOR/CNS 2 distance NOE simple 88 parsed_6ben 1
1 6ben.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ben 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_6ben
_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 25-OCT-17 6BEN
*TITLE SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN8.2
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: (DAR)Q(DPR)(DGN)R(DGL)PQ;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 4 ORGANISM_TAXID: 9606
*KEYWDS MACROCYCLE, DE NOVO, DE NOVO PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR M.D.SHORTRIDGE,P.HOSSEINZADEH,F.PARDO-AVILA,G.VARANI,B.BAKER
*REVDAT 1 27-DEC-17 6BEN 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6ben
_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_6ben 1
2 1 . . . parsed_6ben 1
3 1 . . . parsed_6ben 1
4 1 . . . parsed_6ben 1
5 1 . . . parsed_6ben 1
6 1 . . . parsed_6ben 1
7 1 . . . parsed_6ben 1
8 1 . . . parsed_6ben 1
9 1 . . . parsed_6ben 1
10 1 . . . parsed_6ben 1
11 1 . . . parsed_6ben 1
12 1 . . . parsed_6ben 1
13 1 . . . parsed_6ben 1
14 1 . . . parsed_6ben 1
15 1 . . . parsed_6ben 1
16 1 . . . parsed_6ben 1
17 1 . . . parsed_6ben 1
18 1 . . . parsed_6ben 1
19 1 . . . parsed_6ben 1
20 1 . . . parsed_6ben 1
21 1 . . . parsed_6ben 1
22 1 . . . parsed_6ben 1
23 1 . . . parsed_6ben 1
24 1 . . . parsed_6ben 1
25 1 . . . parsed_6ben 1
26 1 . . . parsed_6ben 1
27 1 . . . parsed_6ben 1
28 1 . . . parsed_6ben 1
29 1 . . . parsed_6ben 1
30 1 . . . parsed_6ben 1
31 1 . . . parsed_6ben 1
32 1 . . . parsed_6ben 1
33 1 . . . parsed_6ben 1
34 1 . . . parsed_6ben 1
35 1 . . . parsed_6ben 1
36 1 . . . parsed_6ben 1
37 1 . . . parsed_6ben 1
38 1 . . . parsed_6ben 1
39 1 . . . parsed_6ben 1
40 1 . . . parsed_6ben 1
41 1 . . . parsed_6ben 1
42 1 . . . parsed_6ben 1
43 1 . . . parsed_6ben 1
44 1 . . . parsed_6ben 1
45 1 . . . parsed_6ben 1
46 1 . . . parsed_6ben 1
47 1 . . . parsed_6ben 1
48 1 . . . parsed_6ben 1
49 1 . . . parsed_6ben 1
50 1 . . . parsed_6ben 1
51 1 . . . parsed_6ben 1
52 1 . . . parsed_6ben 1
53 1 . . . parsed_6ben 1
54 1 . . . parsed_6ben 1
55 1 . . . parsed_6ben 1
56 1 . . . parsed_6ben 1
57 1 . . . parsed_6ben 1
58 1 . . . parsed_6ben 1
59 1 . . . parsed_6ben 1
60 1 . . . parsed_6ben 1
61 1 . . . parsed_6ben 1
62 1 . . . parsed_6ben 1
63 1 . . . parsed_6ben 1
64 1 . . . parsed_6ben 1
65 1 . . . parsed_6ben 1
66 1 . . . parsed_6ben 1
67 1 . . . parsed_6ben 1
68 1 . . . parsed_6ben 1
69 1 . . . parsed_6ben 1
70 1 . . . parsed_6ben 1
71 1 . . . parsed_6ben 1
72 1 . . . parsed_6ben 1
73 1 . . . parsed_6ben 1
74 1 . . . parsed_6ben 1
75 1 . . . parsed_6ben 1
76 1 . . . parsed_6ben 1
77 1 . . . parsed_6ben 1
78 1 . . . parsed_6ben 1
79 1 . . . parsed_6ben 1
80 1 . . . parsed_6ben 1
81 1 . . . parsed_6ben 1
82 1 . . . parsed_6ben 1
83 1 . . . parsed_6ben 1
84 1 . . . parsed_6ben 1
85 1 . . . parsed_6ben 1
86 1 . . . parsed_6ben 1
87 1 . . . parsed_6ben 1
88 1 . . . parsed_6ben 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_6ben 1
1 1 2 . . . . . . . . . 1 . HN parsed_6ben 1
2 1 1 . . . . . . . . . 1 . HA parsed_6ben 1
2 1 2 . . . . . . . . . 2 . HN parsed_6ben 1
3 1 1 . . . . . . . . . 1 . HB# parsed_6ben 1
3 1 2 . . . . . . . . . 1 . HN parsed_6ben 1
4 1 1 . . . . . . . . . 1 . HN parsed_6ben 1
4 1 2 . . . . . . . . . 8 . HN parsed_6ben 1
5 1 1 . . . . . . . . . 1 . HA parsed_6ben 1
5 1 2 . . . . . . . . . 2 . HE22 parsed_6ben 1
6 1 1 . . . . . . . . . 1 . HB# parsed_6ben 1
6 1 2 . . . . . . . . . 4 . HE21 parsed_6ben 1
7 1 1 . . . . . . . . . 1 . HD# parsed_6ben 1
7 1 2 . . . . . . . . . 1 . HN parsed_6ben 1
8 1 1 . . . . . . . . . 1 . HE parsed_6ben 1
8 1 2 . . . . . . . . . 1 . HN parsed_6ben 1
9 1 1 . . . . . . . . . 1 . HG2 parsed_6ben 1
9 1 2 . . . . . . . . . 1 . HN parsed_6ben 1
10 1 1 . . . . . . . . . 1 . HG2 parsed_6ben 1
10 1 2 . . . . . . . . . 2 . HE22 parsed_6ben 1
11 1 1 . . . . . . . . . 1 . HG1 parsed_6ben 1
11 1 2 . . . . . . . . . 1 . HN parsed_6ben 1
12 1 1 . . . . . . . . . 1 . HG1 parsed_6ben 1
12 1 2 . . . . . . . . . 2 . HN parsed_6ben 1
13 1 1 . . . . . . . . . 1 . HN parsed_6ben 1
13 1 2 . . . . . . . . . 2 . HN parsed_6ben 1
14 1 1 . . . . . . . . . 2 . HA parsed_6ben 1
14 1 2 . . . . . . . . . 2 . HN parsed_6ben 1
15 1 1 . . . . . . . . . 2 . HE22 parsed_6ben 1
15 1 2 . . . . . . . . . 2 . HE21 parsed_6ben 1
16 1 1 . . . . . . . . . 2 . HA parsed_6ben 1
16 1 2 . . . . . . . . . 1 . HN parsed_6ben 1
17 1 1 . . . . . . . . . 2 . HA parsed_6ben 1
17 1 2 . . . . . . . . . 4 . HN parsed_6ben 1
18 1 1 . . . . . . . . . 2 . HA parsed_6ben 1
18 1 2 . . . . . . . . . 5 . HN parsed_6ben 1
19 1 1 . . . . . . . . . 2 . HB# parsed_6ben 1
19 1 2 . . . . . . . . . 2 . HN parsed_6ben 1
20 1 1 . . . . . . . . . 2 . HG2 parsed_6ben 1
20 1 2 . . . . . . . . . 2 . HN parsed_6ben 1
21 1 1 . . . . . . . . . 2 . HG2 parsed_6ben 1
21 1 2 . . . . . . . . . 8 . HE21 parsed_6ben 1
22 1 1 . . . . . . . . . 2 . HG1 parsed_6ben 1
22 1 2 . . . . . . . . . 2 . HE21 parsed_6ben 1
23 1 1 . . . . . . . . . 2 . HG1 parsed_6ben 1
23 1 2 . . . . . . . . . 2 . HN parsed_6ben 1
24 1 1 . . . . . . . . . 2 . HN parsed_6ben 1
24 1 2 . . . . . . . . . 8 . HN parsed_6ben 1
25 1 1 . . . . . . . . . 3 . HD# parsed_6ben 1
25 1 2 . . . . . . . . . 3 . HG# parsed_6ben 1
26 1 1 . . . . . . . . . 3 . HB2 parsed_6ben 1
26 1 2 . . . . . . . . . 4 . HE21 parsed_6ben 1
27 1 1 . . . . . . . . . 3 . HB2 parsed_6ben 1
27 1 2 . . . . . . . . . 4 . HN parsed_6ben 1
28 1 1 . . . . . . . . . 3 . HD# parsed_6ben 1
28 1 2 . . . . . . . . . 2 . HA parsed_6ben 1
29 1 1 . . . . . . . . . 3 . HD# parsed_6ben 1
29 1 2 . . . . . . . . . 2 . HN parsed_6ben 1
30 1 1 . . . . . . . . . 3 . HD# parsed_6ben 1
30 1 2 . . . . . . . . . 3 . HA parsed_6ben 1
31 1 1 . . . . . . . . . 3 . HD# parsed_6ben 1
31 1 2 . . . . . . . . . 3 . HB2 parsed_6ben 1
32 1 1 . . . . . . . . . 3 . HD# parsed_6ben 1
32 1 2 . . . . . . . . . 3 . HB1 parsed_6ben 1
33 1 1 . . . . . . . . . 3 . HD# parsed_6ben 1
33 1 2 . . . . . . . . . 4 . HN parsed_6ben 1
34 1 1 . . . . . . . . . 3 . HD# parsed_6ben 1
34 1 2 . . . . . . . . . 5 . HN parsed_6ben 1
35 1 1 . . . . . . . . . 4 . HA parsed_6ben 1
35 1 2 . . . . . . . . . 4 . HE21 parsed_6ben 1
36 1 1 . . . . . . . . . 4 . HA parsed_6ben 1
36 1 2 . . . . . . . . . 4 . HN parsed_6ben 1
37 1 1 . . . . . . . . . 4 . HB# parsed_6ben 1
37 1 2 . . . . . . . . . 4 . HN parsed_6ben 1
38 1 1 . . . . . . . . . 4 . HE21 parsed_6ben 1
38 1 2 . . . . . . . . . 4 . HN parsed_6ben 1
39 1 1 . . . . . . . . . 4 . HG2 parsed_6ben 1
39 1 2 . . . . . . . . . 4 . HE21 parsed_6ben 1
40 1 1 . . . . . . . . . 4 . HG2 parsed_6ben 1
40 1 2 . . . . . . . . . 4 . HN parsed_6ben 1
41 1 1 . . . . . . . . . 4 . HG1 parsed_6ben 1
41 1 2 . . . . . . . . . 4 . HE21 parsed_6ben 1
42 1 1 . . . . . . . . . 4 . HG1 parsed_6ben 1
42 1 2 . . . . . . . . . 4 . HN parsed_6ben 1
43 1 1 . . . . . . . . . 5 . HA parsed_6ben 1
43 1 2 . . . . . . . . . 5 . HN parsed_6ben 1
44 1 1 . . . . . . . . . 5 . HA parsed_6ben 1
44 1 2 . . . . . . . . . 6 . HN parsed_6ben 1
45 1 1 . . . . . . . . . 5 . HB# parsed_6ben 1
45 1 2 . . . . . . . . . 5 . HN parsed_6ben 1
46 1 1 . . . . . . . . . 5 . HN parsed_6ben 1
46 1 2 . . . . . . . . . 4 . HN parsed_6ben 1
47 1 1 . . . . . . . . . 5 . HB# parsed_6ben 1
47 1 2 . . . . . . . . . 4 . HN parsed_6ben 1
48 1 1 . . . . . . . . . 5 . HB# parsed_6ben 1
48 1 2 . . . . . . . . . 8 . HE21 parsed_6ben 1
49 1 1 . . . . . . . . . 5 . HB# parsed_6ben 1
49 1 2 . . . . . . . . . 8 . HN parsed_6ben 1
50 1 1 . . . . . . . . . 5 . HD# parsed_6ben 1
50 1 2 . . . . . . . . . 5 . HN parsed_6ben 1
51 1 1 . . . . . . . . . 5 . HE parsed_6ben 1
51 1 2 . . . . . . . . . 5 . HN parsed_6ben 1
52 1 1 . . . . . . . . . 5 . HG2 parsed_6ben 1
52 1 2 . . . . . . . . . 5 . HN parsed_6ben 1
53 1 1 . . . . . . . . . 5 . HG1 parsed_6ben 1
53 1 2 . . . . . . . . . 5 . HN parsed_6ben 1
54 1 1 . . . . . . . . . 5 . HG1 parsed_6ben 1
54 1 2 . . . . . . . . . 6 . HN parsed_6ben 1
55 1 1 . . . . . . . . . 5 . HG1 parsed_6ben 1
55 1 2 . . . . . . . . . 8 . HE21 parsed_6ben 1
56 1 1 . . . . . . . . . 5 . HN parsed_6ben 1
56 1 2 . . . . . . . . . 6 . HN parsed_6ben 1
57 1 1 . . . . . . . . . 6 . HA parsed_6ben 1
57 1 2 . . . . . . . . . 6 . HN parsed_6ben 1
58 1 1 . . . . . . . . . 6 . HA parsed_6ben 1
58 1 2 . . . . . . . . . 1 . HN parsed_6ben 1
59 1 1 . . . . . . . . . 6 . HA parsed_6ben 1
59 1 2 . . . . . . . . . 2 . HN parsed_6ben 1
60 1 1 . . . . . . . . . 6 . HA parsed_6ben 1
60 1 2 . . . . . . . . . 5 . HN parsed_6ben 1
61 1 1 . . . . . . . . . 6 . HA parsed_6ben 1
61 1 2 . . . . . . . . . 8 . HN parsed_6ben 1
62 1 1 . . . . . . . . . 6 . HB# parsed_6ben 1
62 1 2 . . . . . . . . . 6 . HN parsed_6ben 1
63 1 1 . . . . . . . . . 6 . HG2 parsed_6ben 1
63 1 2 . . . . . . . . . 1 . HE parsed_6ben 1
64 1 1 . . . . . . . . . 6 . HG2 parsed_6ben 1
64 1 2 . . . . . . . . . 5 . HN parsed_6ben 1
65 1 1 . . . . . . . . . 6 . HG2 parsed_6ben 1
65 1 2 . . . . . . . . . 6 . HN parsed_6ben 1
66 1 1 . . . . . . . . . 6 . HG1 parsed_6ben 1
66 1 2 . . . . . . . . . 1 . HE parsed_6ben 1
67 1 1 . . . . . . . . . 6 . HG1 parsed_6ben 1
67 1 2 . . . . . . . . . 6 . HN parsed_6ben 1
68 1 1 . . . . . . . . . 6 . HG1 parsed_6ben 1
68 1 2 . . . . . . . . . 8 . HE21 parsed_6ben 1
69 1 1 . . . . . . . . . 6 . HN parsed_6ben 1
69 1 2 . . . . . . . . . 8 . HN parsed_6ben 1
70 1 1 . . . . . . . . . 7 . HD# parsed_6ben 1
70 1 2 . . . . . . . . . 7 . HG# parsed_6ben 1
71 1 1 . . . . . . . . . 7 . HB2 parsed_6ben 1
71 1 2 . . . . . . . . . 8 . HE21 parsed_6ben 1
72 1 1 . . . . . . . . . 7 . HB2 parsed_6ben 1
72 1 2 . . . . . . . . . 8 . HN parsed_6ben 1
73 1 1 . . . . . . . . . 7 . HD# parsed_6ben 1
73 1 2 . . . . . . . . . 1 . HN parsed_6ben 1
74 1 1 . . . . . . . . . 7 . HD# parsed_6ben 1
74 1 2 . . . . . . . . . 6 . HA parsed_6ben 1
75 1 1 . . . . . . . . . 7 . HD# parsed_6ben 1
75 1 2 . . . . . . . . . 6 . HN parsed_6ben 1
76 1 1 . . . . . . . . . 7 . HD# parsed_6ben 1
76 1 2 . . . . . . . . . 7 . HA parsed_6ben 1
77 1 1 . . . . . . . . . 7 . HD# parsed_6ben 1
77 1 2 . . . . . . . . . 7 . HB2 parsed_6ben 1
78 1 1 . . . . . . . . . 7 . HD# parsed_6ben 1
78 1 2 . . . . . . . . . 7 . HB1 parsed_6ben 1
79 1 1 . . . . . . . . . 7 . HD# parsed_6ben 1
79 1 2 . . . . . . . . . 8 . HN parsed_6ben 1
80 1 1 . . . . . . . . . 8 . HA parsed_6ben 1
80 1 2 . . . . . . . . . 8 . HN parsed_6ben 1
81 1 1 . . . . . . . . . 8 . HA parsed_6ben 1
81 1 2 . . . . . . . . . 8 . HE21 parsed_6ben 1
82 1 1 . . . . . . . . . 8 . HB2 parsed_6ben 1
82 1 2 . . . . . . . . . 8 . HN parsed_6ben 1
83 1 1 . . . . . . . . . 8 . HB1 parsed_6ben 1
83 1 2 . . . . . . . . . 8 . HN parsed_6ben 1
84 1 1 . . . . . . . . . 8 . HE21 parsed_6ben 1
84 1 2 . . . . . . . . . 8 . HN parsed_6ben 1
85 1 1 . . . . . . . . . 8 . HG2 parsed_6ben 1
85 1 2 . . . . . . . . . 1 . HN parsed_6ben 1
86 1 1 . . . . . . . . . 8 . HG2 parsed_6ben 1
86 1 2 . . . . . . . . . 8 . HE21 parsed_6ben 1
87 1 1 . . . . . . . . . 8 . HG2 parsed_6ben 1
87 1 2 . . . . . . . . . 8 . HN parsed_6ben 1
88 1 1 . . . . . . . . . 8 . HG1 parsed_6ben 1
88 1 2 . . . . . . . . . 8 . HN parsed_6ben 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 . . . . . 3.5 2.3 4.7 parsed_6ben 1
2 1 . . . . . 3.5 2.3 4.7 parsed_6ben 1
3 1 . . . . . 3.5 2.3 4.7 parsed_6ben 1
4 1 . . . . . 3.5 2.3 4.7 parsed_6ben 1
5 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
6 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
7 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
8 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
9 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
10 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
11 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
12 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
13 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
14 1 . . . . . 3.5 2.3 4.7 parsed_6ben 1
15 1 . . . . . 2.5 1.8 3.2 parsed_6ben 1
16 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
17 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
18 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
19 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
20 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
21 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
22 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
23 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
24 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
25 1 . . . . . 3.5 2.3 4.7 parsed_6ben 1
26 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
27 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
28 1 . . . . . 3.5 2.3 4.7 parsed_6ben 1
29 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
30 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
31 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
32 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
33 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
34 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
35 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
36 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
37 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
38 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
39 1 . . . . . 3.5 2.3 4.7 parsed_6ben 1
40 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
41 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
42 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
43 1 . . . . . 3.5 2.3 4.7 parsed_6ben 1
44 1 . . . . . 3.5 2.3 4.7 parsed_6ben 1
45 1 . . . . . 3.5 2.3 4.7 parsed_6ben 1
46 1 . . . . . 3.5 2.3 4.7 parsed_6ben 1
47 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
48 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
49 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
50 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
51 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
52 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
53 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
54 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
55 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
56 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
57 1 . . . . . 3.5 2.3 4.7 parsed_6ben 1
58 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
59 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
60 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
61 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
62 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
63 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
64 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
65 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
66 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
67 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
68 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
69 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
70 1 . . . . . 3.5 2.3 4.7 parsed_6ben 1
71 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
72 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
73 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
74 1 . . . . . 3.5 2.3 4.7 parsed_6ben 1
75 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
76 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
77 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
78 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
79 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
80 1 . . . . . 3.5 2.3 4.7 parsed_6ben 1
81 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
82 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
83 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
84 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
85 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
86 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
87 1 . . . . . 4.5 2.9 6.1 parsed_6ben 1
88 1 . . . . . 4.5 2.9 6.1 parsed_6ben 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
;
-------------------------------------------------------------------------!
NOE Table for D_Symmetric Hug peptide !
Updated 111516 mds
D_Symmetric Hug, 8mer arg GLN pro gln ARG glu PRO GLN
Upper case L-Amino Acid
Lower case D-Amino Acid
! NOE binning !!
strong 2.5 0.7 0.7
medium 3.5 1.2 1.2
weak 4.5 1.6 1.6
very weak 5.0 2.0 2.0
TOTAL NOES = 88
long range (j-i >6) = 5
short range (2 > j-i < 5) = 14
sequential (i to j) = 23
intraresidue (i to i) = 46
------------------------------------------------------------------------!
*** Bacbone NOE***!
HN-HA
HN-HN
HA-HA
arg 1
;
2 1 30 8 parsed_6ben 1
2 "GLN 2" 46 1 46 8 parsed_6ben 1
3 "pro 3" 60 1 60 8 parsed_6ben 1
4
;
gln 4
assign ( resid 4 and name HE22 ) ( resid 4 and name HE21 ) 3.5 1.2 1.2
;
72 1 73 75 parsed_6ben 1
5 "ARG 5" 83 1 83 8 parsed_6ben 1
6 "glu 6" 100 1 100 8 parsed_6ben 1
7 "PRO 7" 116 1 116 8 parsed_6ben 1
8 "GLN 8" 128 1 128 8 parsed_6ben 1
9 "assign ( resid 8 and name HE22 ) ( resid 8 and name HE21 ) 3.5 1.2 1.2" 130 1 130 75 parsed_6ben 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: dsym_noe.tbl" 1 1 1 33 parsed_6ben 1
stop_
save_
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