NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
554384 |
2llr   |
18085 | cing | 2-parsed | STAR | entry | full | 98 |
data_2llr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2llr
_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_2llr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2llr
_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 2llr "Master copy" parsed_2llr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2llr
_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 2llr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2llr 1
1 2llr.mr . . DYANA/DIANA 2 distance NOE simple 57 parsed_2llr 1
1 2llr.mr . . DYANA/DIANA 3 distance "general distance" simple 6 parsed_2llr 1
1 2llr.mr . . DYANA/DIANA 4 distance NOE simple 35 parsed_2llr 1
1 2llr.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2llr 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_2llr
_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 16-NOV-11 2LLR
*TITLE NMR STRUCTURE OF ALVINELLACIN
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ALVINELLACIN;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES
*KEYWDS ANTIMICROBIAL PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR S.JUNG, A.TASIEMSKI, M.LEIPPE, J.GROETZINGER
*REVDAT 1 19-DEC-12 2LLR 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2llr
_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_2llr 1
2 1 . . . parsed_2llr 1
3 1 . . . parsed_2llr 1
4 1 . . . parsed_2llr 1
5 1 . . . parsed_2llr 1
6 1 . . . parsed_2llr 1
7 1 . . . parsed_2llr 1
8 1 . . . parsed_2llr 1
9 1 . . . parsed_2llr 1
10 1 . . . parsed_2llr 1
11 1 . . . parsed_2llr 1
12 1 . . . parsed_2llr 1
13 1 . . . parsed_2llr 1
14 1 . . . parsed_2llr 1
15 1 . . . parsed_2llr 1
16 1 . . . parsed_2llr 1
17 1 . . . parsed_2llr 1
18 1 . . . parsed_2llr 1
19 1 . . . parsed_2llr 1
20 1 . . . parsed_2llr 1
21 1 . . . parsed_2llr 1
22 1 . . . parsed_2llr 1
23 1 . . . parsed_2llr 1
24 1 . . . parsed_2llr 1
25 1 . . . parsed_2llr 1
26 1 . . . parsed_2llr 1
27 1 . . . parsed_2llr 1
28 1 . . . parsed_2llr 1
29 1 . . . parsed_2llr 1
30 1 . . . parsed_2llr 1
31 1 . . . parsed_2llr 1
32 1 . . . parsed_2llr 1
33 1 . . . parsed_2llr 1
34 1 . . . parsed_2llr 1
35 1 . . . parsed_2llr 1
36 1 . . . parsed_2llr 1
37 1 . . . parsed_2llr 1
38 1 . . . parsed_2llr 1
39 1 . . . parsed_2llr 1
40 1 . . . parsed_2llr 1
41 1 . . . parsed_2llr 1
42 1 . . . parsed_2llr 1
43 1 . . . parsed_2llr 1
44 1 . . . parsed_2llr 1
45 1 . . . parsed_2llr 1
46 1 . . . parsed_2llr 1
47 1 . . . parsed_2llr 1
48 1 . . . parsed_2llr 1
49 1 . . . parsed_2llr 1
50 1 . . . parsed_2llr 1
51 1 . . . parsed_2llr 1
52 1 . . . parsed_2llr 1
53 1 . . . parsed_2llr 1
54 1 . . . parsed_2llr 1
55 1 . . . parsed_2llr 1
56 1 . . . parsed_2llr 1
57 1 . . . parsed_2llr 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 . . . . . . . . . 10 VAL H parsed_2llr 1
1 1 2 . . . . . . . . . 10 VAL HB parsed_2llr 1
2 1 1 . . . . . . . . . 9 LYS HA parsed_2llr 1
2 1 2 . . . . . . . . . 10 VAL H parsed_2llr 1
3 1 1 . . . . . . . . . 14 GLY H parsed_2llr 1
3 1 2 . . . . . . . . . 14 GLY HA2 parsed_2llr 1
4 1 1 . . . . . . . . . 10 VAL H parsed_2llr 1
4 1 2 . . . . . . . . . 15 ARG HA parsed_2llr 1
5 1 1 . . . . . . . . . 7 CYSS HA parsed_2llr 1
5 1 2 . . . . . . . . . 8 TRP HE3 parsed_2llr 1
6 1 1 . . . . . . . . . 13 ASN H parsed_2llr 1
6 1 2 . . . . . . . . . 13 ASN HB2 parsed_2llr 1
7 1 1 . . . . . . . . . 3 CYSS HA parsed_2llr 1
7 1 2 . . . . . . . . . 22 THR H parsed_2llr 1
8 1 1 . . . . . . . . . 13 ASN H parsed_2llr 1
8 1 2 . . . . . . . . . 13 ASN HA parsed_2llr 1
9 1 1 . . . . . . . . . 14 GLY HA2 parsed_2llr 1
9 1 2 . . . . . . . . . 15 ARG H parsed_2llr 1
10 1 1 . . . . . . . . . 22 THR H parsed_2llr 1
10 1 2 . . . . . . . . . 22 THR QG2 parsed_2llr 1
11 1 1 . . . . . . . . . 16 VAL QG2 parsed_2llr 1
11 1 2 . . . . . . . . . 17 CYSS H parsed_2llr 1
12 1 1 . . . . . . . . . 16 VAL QG1 parsed_2llr 1
12 1 2 . . . . . . . . . 17 CYSS H parsed_2llr 1
13 1 1 . . . . . . . . . 13 ASN HA parsed_2llr 1
13 1 2 . . . . . . . . . 14 GLY H parsed_2llr 1
14 1 1 . . . . . . . . . 21 CYSS HA parsed_2llr 1
14 1 2 . . . . . . . . . 22 THR H parsed_2llr 1
15 1 1 . . . . . . . . . 16 VAL HA parsed_2llr 1
15 1 2 . . . . . . . . . 17 CYSS H parsed_2llr 1
16 1 1 . . . . . . . . . 6 ARG H parsed_2llr 1
16 1 2 . . . . . . . . . 18 MET H parsed_2llr 1
17 1 1 . . . . . . . . . 8 TRP H parsed_2llr 1
17 1 2 . . . . . . . . . 16 VAL H parsed_2llr 1
18 1 1 . . . . . . . . . 8 TRP H parsed_2llr 1
18 1 2 . . . . . . . . . 8 TRP HE3 parsed_2llr 1
19 1 1 . . . . . . . . . 10 VAL HB parsed_2llr 1
19 1 2 . . . . . . . . . 11 GLY H parsed_2llr 1
20 1 1 . . . . . . . . . 13 ASN H parsed_2llr 1
20 1 2 . . . . . . . . . 14 GLY H parsed_2llr 1
21 1 1 . . . . . . . . . 7 CYSS HA parsed_2llr 1
21 1 2 . . . . . . . . . 17 CYSS HA parsed_2llr 1
22 1 1 . . . . . . . . . 3 CYSS HA parsed_2llr 1
22 1 2 . . . . . . . . . 21 CYSS HA parsed_2llr 1
23 1 1 . . . . . . . . . 16 VAL H parsed_2llr 1
23 1 2 . . . . . . . . . 16 VAL QG2 parsed_2llr 1
24 1 1 . . . . . . . . . 16 VAL H parsed_2llr 1
24 1 2 . . . . . . . . . 16 VAL QG1 parsed_2llr 1
25 1 1 . . . . . . . . . 13 ASN H parsed_2llr 1
25 1 2 . . . . . . . . . 13 ASN HB3 parsed_2llr 1
26 1 1 . . . . . . . . . 8 TRP H parsed_2llr 1
26 1 2 . . . . . . . . . 8 TRP HB3 parsed_2llr 1
27 1 1 . . . . . . . . . 5 THR QG2 parsed_2llr 1
27 1 2 . . . . . . . . . 6 ARG H parsed_2llr 1
28 1 1 . . . . . . . . . 5 THR HA parsed_2llr 1
28 1 2 . . . . . . . . . 6 ARG H parsed_2llr 1
29 1 1 . . . . . . . . . 4 TYR H parsed_2llr 1
29 1 2 . . . . . . . . . 4 TYR HA parsed_2llr 1
30 1 1 . . . . . . . . . 4 TYR HA parsed_2llr 1
30 1 2 . . . . . . . . . 5 THR H parsed_2llr 1
31 1 1 . . . . . . . . . 20 VAL HA parsed_2llr 1
31 1 2 . . . . . . . . . 21 CYSS H parsed_2llr 1
32 1 1 . . . . . . . . . 5 THR H parsed_2llr 1
32 1 2 . . . . . . . . . 5 THR HB parsed_2llr 1
33 1 1 . . . . . . . . . 8 TRP H parsed_2llr 1
33 1 2 . . . . . . . . . 8 TRP HB2 parsed_2llr 1
34 1 1 . . . . . . . . . 7 CYSS HA parsed_2llr 1
34 1 2 . . . . . . . . . 8 TRP H parsed_2llr 1
35 1 1 . . . . . . . . . 7 CYSS HA parsed_2llr 1
35 1 2 . . . . . . . . . 18 MET H parsed_2llr 1
36 1 1 . . . . . . . . . 17 CYSS HA parsed_2llr 1
36 1 2 . . . . . . . . . 18 MET H parsed_2llr 1
37 1 1 . . . . . . . . . 18 MET H parsed_2llr 1
37 1 2 . . . . . . . . . 18 MET HA parsed_2llr 1
38 1 1 . . . . . . . . . 8 TRP H parsed_2llr 1
38 1 2 . . . . . . . . . 17 CYSS HA parsed_2llr 1
39 1 1 . . . . . . . . . 3 CYSS HA parsed_2llr 1
39 1 2 . . . . . . . . . 4 TYR H parsed_2llr 1
40 1 1 . . . . . . . . . 4 TYR H parsed_2llr 1
40 1 2 . . . . . . . . . 21 CYSS HA parsed_2llr 1
41 1 1 . . . . . . . . . 20 VAL H parsed_2llr 1
41 1 2 . . . . . . . . . 20 VAL HB parsed_2llr 1
42 1 1 . . . . . . . . . 19 ARG HA parsed_2llr 1
42 1 2 . . . . . . . . . 20 VAL H parsed_2llr 1
43 1 1 . . . . . . . . . 6 ARG HA parsed_2llr 1
43 1 2 . . . . . . . . . 7 CYSS H parsed_2llr 1
44 1 1 . . . . . . . . . 15 ARG HA parsed_2llr 1
44 1 2 . . . . . . . . . 16 VAL H parsed_2llr 1
45 1 1 . . . . . . . . . 16 VAL H parsed_2llr 1
45 1 2 . . . . . . . . . 16 VAL HB parsed_2llr 1
46 1 1 . . . . . . . . . 9 LYS H parsed_2llr 1
46 1 2 . . . . . . . . . 9 LYS HA parsed_2llr 1
47 1 1 . . . . . . . . . 2 GLY HA3 parsed_2llr 1
47 1 2 . . . . . . . . . 3 CYSS H parsed_2llr 1
48 1 1 . . . . . . . . . 14 GLY HA3 parsed_2llr 1
48 1 2 . . . . . . . . . 15 ARG H parsed_2llr 1
49 1 1 . . . . . . . . . 12 ARG HA parsed_2llr 1
49 1 2 . . . . . . . . . 13 ASN H parsed_2llr 1
50 1 1 . . . . . . . . . 11 GLY H parsed_2llr 1
50 1 2 . . . . . . . . . 11 GLY HA2 parsed_2llr 1
51 1 1 . . . . . . . . . 18 MET HA parsed_2llr 1
51 1 2 . . . . . . . . . 19 ARG H parsed_2llr 1
52 1 1 . . . . . . . . . 11 GLY H parsed_2llr 1
52 1 2 . . . . . . . . . 11 GLY HA3 parsed_2llr 1
53 1 1 . . . . . . . . . 10 VAL HA parsed_2llr 1
53 1 2 . . . . . . . . . 11 GLY H parsed_2llr 1
54 1 1 . . . . . . . . . 2 GLY HA2 parsed_2llr 1
54 1 2 . . . . . . . . . 3 CYSS H parsed_2llr 1
55 1 1 . . . . . . . . . 11 GLY HA3 parsed_2llr 1
55 1 2 . . . . . . . . . 12 ARG H parsed_2llr 1
56 1 1 . . . . . . . . . 11 GLY HA2 parsed_2llr 1
56 1 2 . . . . . . . . . 12 ARG H parsed_2llr 1
57 1 1 . . . . . . . . . 1 ARG HA parsed_2llr 1
57 1 2 . . . . . . . . . 2 GLY H parsed_2llr 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 . . . . . . . 2.82 parsed_2llr 1
2 1 . . . . . . . 2.54 parsed_2llr 1
3 1 . . . . . . . 2.44 parsed_2llr 1
4 1 . . . . . . . 2.88 parsed_2llr 1
5 1 . . . . . . . 3.22 parsed_2llr 1
6 1 . . . . . . . 3.30 parsed_2llr 1
7 1 . . . . . . . 3.48 parsed_2llr 1
8 1 . . . . . . . 2.86 parsed_2llr 1
9 1 . . . . . . . 2.41 parsed_2llr 1
10 1 . . . . . . . 3.65 parsed_2llr 1
11 1 . . . . . . . 3.54 parsed_2llr 1
12 1 . . . . . . . 3.54 parsed_2llr 1
13 1 . . . . . . . 3.16 parsed_2llr 1
14 1 . . . . . . . 2.41 parsed_2llr 1
15 1 . . . . . . . 2.53 parsed_2llr 1
16 1 . . . . . . . 3.56 parsed_2llr 1
17 1 . . . . . . . 3.30 parsed_2llr 1
18 1 . . . . . . . 3.32 parsed_2llr 1
19 1 . . . . . . . 3.40 parsed_2llr 1
20 1 . . . . . . . 2.46 parsed_2llr 1
21 1 . . . . . . . 2.32 parsed_2llr 1
22 1 . . . . . . . 2.35 parsed_2llr 1
23 1 . . . . . . . 4.23 parsed_2llr 1
24 1 . . . . . . . 4.23 parsed_2llr 1
25 1 . . . . . . . 3.30 parsed_2llr 1
26 1 . . . . . . . 4.18 parsed_2llr 1
27 1 . . . . . . . 2.92 parsed_2llr 1
28 1 . . . . . . . 2.55 parsed_2llr 1
29 1 . . . . . . . 2.94 parsed_2llr 1
30 1 . . . . . . . 2.21 parsed_2llr 1
31 1 . . . . . . . 2.37 parsed_2llr 1
32 1 . . . . . . . 2.44 parsed_2llr 1
33 1 . . . . . . . 4.18 parsed_2llr 1
34 1 . . . . . . . 2.73 parsed_2llr 1
35 1 . . . . . . . 2.87 parsed_2llr 1
36 1 . . . . . . . 2.29 parsed_2llr 1
37 1 . . . . . . . 2.86 parsed_2llr 1
38 1 . . . . . . . 3.65 parsed_2llr 1
39 1 . . . . . . . 2.55 parsed_2llr 1
40 1 . . . . . . . 3.23 parsed_2llr 1
41 1 . . . . . . . 2.60 parsed_2llr 1
42 1 . . . . . . . 2.25 parsed_2llr 1
43 1 . . . . . . . 2.41 parsed_2llr 1
44 1 . . . . . . . 2.55 parsed_2llr 1
45 1 . . . . . . . 2.89 parsed_2llr 1
46 1 . . . . . . . 2.88 parsed_2llr 1
47 1 . . . . . . . 2.40 parsed_2llr 1
48 1 . . . . . . . 2.24 parsed_2llr 1
49 1 . . . . . . . 3.00 parsed_2llr 1
50 1 . . . . . . . 2.56 parsed_2llr 1
51 1 . . . . . . . 2.22 parsed_2llr 1
52 1 . . . . . . . 2.75 parsed_2llr 1
53 1 . . . . . . . 2.20 parsed_2llr 1
54 1 . . . . . . . 2.46 parsed_2llr 1
55 1 . . . . . . . 2.47 parsed_2llr 1
56 1 . . . . . . . 2.80 parsed_2llr 1
57 1 . . . . . . . 2.67 parsed_2llr 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 "peak 2" 1 49 1 59 parsed_2llr 1
2 "peak 5" 2 49 2 59 parsed_2llr 1
3 "peak 6" 3 49 3 59 parsed_2llr 1
4 "peak 8" 4 49 4 59 parsed_2llr 1
5 "peak 15" 5 49 5 59 parsed_2llr 1
6 "peak 17" 6 49 6 59 parsed_2llr 1
7 "peak 18" 7 49 7 59 parsed_2llr 1
8 "peak 20" 8 49 8 59 parsed_2llr 1
9 "peak 21" 9 49 9 59 parsed_2llr 1
10 "peak 24" 10 49 10 59 parsed_2llr 1
11 "peak 25" 11 49 11 59 parsed_2llr 1
12 "peak 26" 12 49 12 59 parsed_2llr 1
13 "peak 27" 13 49 13 59 parsed_2llr 1
14 "peak 29" 14 49 14 59 parsed_2llr 1
15 "peak 31" 15 49 15 59 parsed_2llr 1
16 "peak 33" 16 49 16 59 parsed_2llr 1
17 "peak 36" 17 49 17 59 parsed_2llr 1
18 "peak 40" 18 49 18 59 parsed_2llr 1
19 "peak 46" 19 49 19 59 parsed_2llr 1
20 "peak 47" 20 49 20 59 parsed_2llr 1
21 "peak 52" 21 49 21 59 parsed_2llr 1
22 "peak 54" 22 49 22 59 parsed_2llr 1
23 "peak 56" 23 49 23 59 parsed_2llr 1
24 "peak 57" 24 49 24 59 parsed_2llr 1
25 "peak 59" 25 49 25 59 parsed_2llr 1
26 "peak 60" 26 49 26 59 parsed_2llr 1
27 "peak 65" 27 49 27 59 parsed_2llr 1
28 "peak 66" 28 49 28 59 parsed_2llr 1
29 "peak 67" 29 49 29 59 parsed_2llr 1
30 "peak 70" 30 49 30 59 parsed_2llr 1
31 "peak 74" 31 49 31 59 parsed_2llr 1
32 "peak 75" 32 49 32 59 parsed_2llr 1
33 "peak 79" 33 49 33 59 parsed_2llr 1
34 "peak 80" 34 49 34 59 parsed_2llr 1
35 "peak 82" 35 49 35 59 parsed_2llr 1
36 "peak 83" 36 49 36 59 parsed_2llr 1
37 "peak 84" 37 49 37 59 parsed_2llr 1
38 "peak 85" 38 49 38 59 parsed_2llr 1
39 "peak 87" 39 49 39 59 parsed_2llr 1
40 "peak 88" 40 49 40 59 parsed_2llr 1
41 "peak 89" 41 49 41 59 parsed_2llr 1
42 "peak 91" 42 49 42 59 parsed_2llr 1
43 "peak 93" 43 49 43 59 parsed_2llr 1
44 "peak 94" 44 49 44 59 parsed_2llr 1
45 "peak 95" 45 49 45 59 parsed_2llr 1
46 "peak 96" 46 49 46 59 parsed_2llr 1
47 "peak 99" 47 49 47 59 parsed_2llr 1
48 "peak 103" 48 49 48 59 parsed_2llr 1
49 "peak 104" 49 49 49 59 parsed_2llr 1
50 "peak 109" 50 49 50 59 parsed_2llr 1
51 "peak 111" 51 49 51 59 parsed_2llr 1
52 "peak 112" 52 49 52 59 parsed_2llr 1
53 "peak 115" 53 49 53 59 parsed_2llr 1
54 "peak 119" 54 49 54 59 parsed_2llr 1
55 "peak 121" 55 49 55 59 parsed_2llr 1
56 "peak 122" 56 49 56 59 parsed_2llr 1
57 "peak 123" 57 49 57 59 parsed_2llr 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2llr
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "general distance"
_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_2llr 2
2 1 . . . parsed_2llr 2
3 1 . . . parsed_2llr 2
4 1 . . . parsed_2llr 2
5 1 . . . parsed_2llr 2
6 1 . . . parsed_2llr 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 . . . . . . . . . 3 CYSS SG parsed_2llr 2
1 1 2 . . . . . . . . . 21 CYSS SG parsed_2llr 2
2 1 1 . . . . . . . . . 3 CYSS SG parsed_2llr 2
2 1 2 . . . . . . . . . 21 CYSS CB parsed_2llr 2
3 1 1 . . . . . . . . . 3 CYSS CB parsed_2llr 2
3 1 2 . . . . . . . . . 21 CYSS SG parsed_2llr 2
4 1 1 . . . . . . . . . 7 CYSS SG parsed_2llr 2
4 1 2 . . . . . . . . . 17 CYSS SG parsed_2llr 2
5 1 1 . . . . . . . . . 7 CYSS SG parsed_2llr 2
5 1 2 . . . . . . . . . 17 CYSS CB parsed_2llr 2
6 1 1 . . . . . . . . . 7 CYSS CB parsed_2llr 2
6 1 2 . . . . . . . . . 17 CYSS SG parsed_2llr 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 . . . . . . . 2.10 parsed_2llr 2
2 1 . . . . . . . 3.10 parsed_2llr 2
3 1 . . . . . . . 3.10 parsed_2llr 2
4 1 . . . . . . . 2.10 parsed_2llr 2
5 1 . . . . . . . 3.10 parsed_2llr 2
6 1 . . . . . . . 3.10 parsed_2llr 2
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2llr
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2llr 3
2 1 . . . parsed_2llr 3
3 1 . . . parsed_2llr 3
4 1 . . . parsed_2llr 3
5 1 . . . parsed_2llr 3
6 1 . . . parsed_2llr 3
7 1 . . . parsed_2llr 3
8 1 . . . parsed_2llr 3
9 1 . . . parsed_2llr 3
10 1 . . . parsed_2llr 3
11 1 . . . parsed_2llr 3
12 1 . . . parsed_2llr 3
13 1 . . . parsed_2llr 3
14 1 . . . parsed_2llr 3
15 1 . . . parsed_2llr 3
16 1 . . . parsed_2llr 3
17 1 . . . parsed_2llr 3
18 1 . . . parsed_2llr 3
19 1 . . . parsed_2llr 3
20 1 . . . parsed_2llr 3
21 1 . . . parsed_2llr 3
22 1 . . . parsed_2llr 3
23 1 . . . parsed_2llr 3
24 1 . . . parsed_2llr 3
25 1 . . . parsed_2llr 3
26 1 . . . parsed_2llr 3
27 1 . . . parsed_2llr 3
28 1 . . . parsed_2llr 3
29 1 . . . parsed_2llr 3
30 1 . . . parsed_2llr 3
31 1 . . . parsed_2llr 3
32 1 . . . parsed_2llr 3
33 1 . . . parsed_2llr 3
34 1 . . . parsed_2llr 3
35 1 . . . parsed_2llr 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 . . . . . . . . . 1 ARG QB parsed_2llr 3
1 1 2 . . . . . . . . . 2 GLY H parsed_2llr 3
2 1 1 . . . . . . . . . 1 ARG QG parsed_2llr 3
2 1 2 . . . . . . . . . 2 GLY H parsed_2llr 3
3 1 1 . . . . . . . . . 3 CYSS H parsed_2llr 3
3 1 2 . . . . . . . . . 3 CYSS QB parsed_2llr 3
4 1 1 . . . . . . . . . 3 CYSS QB parsed_2llr 3
4 1 2 . . . . . . . . . 4 TYR H parsed_2llr 3
5 1 1 . . . . . . . . . 4 TYR QB parsed_2llr 3
5 1 2 . . . . . . . . . 5 THR H parsed_2llr 3
6 1 1 . . . . . . . . . 4 TYR HD2 parsed_2llr 3
6 1 2 . . . . . . . . . 20 VAL QQG parsed_2llr 3
7 1 1 . . . . . . . . . 6 ARG H parsed_2llr 3
7 1 2 . . . . . . . . . 6 ARG QB parsed_2llr 3
8 1 1 . . . . . . . . . 6 ARG QB parsed_2llr 3
8 1 2 . . . . . . . . . 7 CYSS H parsed_2llr 3
9 1 1 . . . . . . . . . 7 CYSS H parsed_2llr 3
9 1 2 . . . . . . . . . 7 CYSS QB parsed_2llr 3
10 1 1 . . . . . . . . . 7 CYSS HA parsed_2llr 3
10 1 2 . . . . . . . . . 7 CYSS QB parsed_2llr 3
11 1 1 . . . . . . . . . 7 CYSS QB parsed_2llr 3
11 1 2 . . . . . . . . . 8 TRP H parsed_2llr 3
12 1 1 . . . . . . . . . 8 TRP H parsed_2llr 3
12 1 2 . . . . . . . . . 8 TRP QB parsed_2llr 3
13 1 1 . . . . . . . . . 8 TRP QB parsed_2llr 3
13 1 2 . . . . . . . . . 8 TRP HE3 parsed_2llr 3
14 1 1 . . . . . . . . . 8 TRP QB parsed_2llr 3
14 1 2 . . . . . . . . . 9 LYS H parsed_2llr 3
15 1 1 . . . . . . . . . 8 TRP HZ3 parsed_2llr 3
15 1 2 . . . . . . . . . 18 MET QB parsed_2llr 3
16 1 1 . . . . . . . . . 8 TRP HZ2 parsed_2llr 3
16 1 2 . . . . . . . . . 16 VAL QQG parsed_2llr 3
17 1 1 . . . . . . . . . 8 TRP HH2 parsed_2llr 3
17 1 2 . . . . . . . . . 18 MET QB parsed_2llr 3
18 1 1 . . . . . . . . . 9 LYS H parsed_2llr 3
18 1 2 . . . . . . . . . 9 LYS QB parsed_2llr 3
19 1 1 . . . . . . . . . 9 LYS H parsed_2llr 3
19 1 2 . . . . . . . . . 9 LYS QD parsed_2llr 3
20 1 1 . . . . . . . . . 10 VAL H parsed_2llr 3
20 1 2 . . . . . . . . . 10 VAL QQG parsed_2llr 3
21 1 1 . . . . . . . . . 10 VAL H parsed_2llr 3
21 1 2 . . . . . . . . . 15 ARG QG parsed_2llr 3
22 1 1 . . . . . . . . . 10 VAL QQG parsed_2llr 3
22 1 2 . . . . . . . . . 11 GLY H parsed_2llr 3
23 1 1 . . . . . . . . . 13 ASN H parsed_2llr 3
23 1 2 . . . . . . . . . 13 ASN QB parsed_2llr 3
24 1 1 . . . . . . . . . 15 ARG H parsed_2llr 3
24 1 2 . . . . . . . . . 15 ARG QB parsed_2llr 3
25 1 1 . . . . . . . . . 15 ARG H parsed_2llr 3
25 1 2 . . . . . . . . . 15 ARG QG parsed_2llr 3
26 1 1 . . . . . . . . . 16 VAL H parsed_2llr 3
26 1 2 . . . . . . . . . 16 VAL QQG parsed_2llr 3
27 1 1 . . . . . . . . . 16 VAL QQG parsed_2llr 3
27 1 2 . . . . . . . . . 17 CYSS H parsed_2llr 3
28 1 1 . . . . . . . . . 17 CYSS H parsed_2llr 3
28 1 2 . . . . . . . . . 17 CYSS QB parsed_2llr 3
29 1 1 . . . . . . . . . 17 CYSS HA parsed_2llr 3
29 1 2 . . . . . . . . . 17 CYSS QB parsed_2llr 3
30 1 1 . . . . . . . . . 18 MET H parsed_2llr 3
30 1 2 . . . . . . . . . 18 MET QB parsed_2llr 3
31 1 1 . . . . . . . . . 18 MET H parsed_2llr 3
31 1 2 . . . . . . . . . 18 MET QG parsed_2llr 3
32 1 1 . . . . . . . . . 18 MET QB parsed_2llr 3
32 1 2 . . . . . . . . . 19 ARG H parsed_2llr 3
33 1 1 . . . . . . . . . 20 VAL H parsed_2llr 3
33 1 2 . . . . . . . . . 20 VAL QQG parsed_2llr 3
34 1 1 . . . . . . . . . 21 CYSS H parsed_2llr 3
34 1 2 . . . . . . . . . 21 CYSS QB parsed_2llr 3
35 1 1 . . . . . . . . . 21 CYSS QB parsed_2llr 3
35 1 2 . . . . . . . . . 22 THR H parsed_2llr 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 . . . . . . . 2.94 parsed_2llr 3
2 1 . . . . . . . 3.29 parsed_2llr 3
3 1 . . . . . . . 2.75 parsed_2llr 3
4 1 . . . . . . . 2.95 parsed_2llr 3
5 1 . . . . . . . 2.46 parsed_2llr 3
6 1 . . . . . . . 3.14 parsed_2llr 3
7 1 . . . . . . . 2.58 parsed_2llr 3
8 1 . . . . . . . 2.84 parsed_2llr 3
9 1 . . . . . . . 2.80 parsed_2llr 3
10 1 . . . . . . . 2.52 parsed_2llr 3
11 1 . . . . . . . 2.96 parsed_2llr 3
12 1 . . . . . . . 3.57 parsed_2llr 3
13 1 . . . . . . . 2.79 parsed_2llr 3
14 1 . . . . . . . 2.83 parsed_2llr 3
15 1 . . . . . . . 2.92 parsed_2llr 3
16 1 . . . . . . . 3.09 parsed_2llr 3
17 1 . . . . . . . 2.79 parsed_2llr 3
18 1 . . . . . . . 2.42 parsed_2llr 3
19 1 . . . . . . . 4.66 parsed_2llr 3
20 1 . . . . . . . 2.88 parsed_2llr 3
21 1 . . . . . . . 3.70 parsed_2llr 3
22 1 . . . . . . . 2.68 parsed_2llr 3
23 1 . . . . . . . 2.87 parsed_2llr 3
24 1 . . . . . . . 2.61 parsed_2llr 3
25 1 . . . . . . . 3.33 parsed_2llr 3
26 1 . . . . . . . 3.29 parsed_2llr 3
27 1 . . . . . . . 2.84 parsed_2llr 3
28 1 . . . . . . . 2.84 parsed_2llr 3
29 1 . . . . . . . 2.46 parsed_2llr 3
30 1 . . . . . . . 2.95 parsed_2llr 3
31 1 . . . . . . . 2.72 parsed_2llr 3
32 1 . . . . . . . 2.78 parsed_2llr 3
33 1 . . . . . . . 3.77 parsed_2llr 3
34 1 . . . . . . . 2.56 parsed_2llr 3
35 1 . . . . . . . 3.60 parsed_2llr 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 "peak 120" 1 49 1 59 parsed_2llr 3
2 "peak 117" 2 49 2 59 parsed_2llr 3
3 "peak 98" 3 49 3 59 parsed_2llr 3
4 "peak 69" 4 49 4 59 parsed_2llr 3
5 "peak 76" 5 49 5 59 parsed_2llr 3
6 "peak 32" 6 49 6 59 parsed_2llr 3
7 "peak 64" 7 49 7 59 parsed_2llr 3
8 "peak 114" 8 49 8 59 parsed_2llr 3
9 "peak 113" 9 49 9 59 parsed_2llr 3
10 "peak 53" 10 49 10 59 parsed_2llr 3
11 "peak 90" 11 49 11 59 parsed_2llr 3
12 "peak 60" 12 49 12 59 parsed_2llr 3
13 "peak 16" 13 49 13 59 parsed_2llr 3
14 "peak 106" 14 49 14 59 parsed_2llr 3
15 "peak 12" 15 49 15 59 parsed_2llr 3
16 "peak 14" 16 49 16 59 parsed_2llr 3
17 "peak 11" 17 49 17 59 parsed_2llr 3
18 "peak 108" 18 49 18 59 parsed_2llr 3
19 "peak 105" 19 49 19 59 parsed_2llr 3
20 "peak 3" 20 49 20 59 parsed_2llr 3
21 "peak 9" 21 49 21 59 parsed_2llr 3
22 "peak 110" 22 49 22 59 parsed_2llr 3
23 "peak 17" 23 49 23 59 parsed_2llr 3
24 "peak 22" 24 49 24 59 parsed_2llr 3
25 "peak 23" 25 49 25 59 parsed_2llr 3
26 "peak 56" 26 49 26 59 parsed_2llr 3
27 "peak 26" 27 49 27 59 parsed_2llr 3
28 "peak 28" 28 49 28 59 parsed_2llr 3
29 "peak 49" 29 49 29 59 parsed_2llr 3
30 "peak 81" 30 49 30 59 parsed_2llr 3
31 "peak 78" 31 49 31 59 parsed_2llr 3
32 "peak 116" 32 49 32 59 parsed_2llr 3
33 "peak 86" 33 49 33 59 parsed_2llr 3
34 "peak 72" 34 49 34 59 parsed_2llr 3
35 "peak 19" 35 49 35 59 parsed_2llr 3
stop_
save_
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