NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
35330 |
1lb7   |
cing | 2-parsed | STAR | entry | full | 154 |
data_1lb7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1lb7
_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_1lb7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1lb7
_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 1lb7 "Master copy" parsed_1lb7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1lb7
_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 1lb7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1lb7 1
1 1lb7.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1lb7 1
1 1lb7.mr . . DISCOVER 3 stereochemistry prochirality "Not applicable" 0 parsed_1lb7 1
1 1lb7.mr . . DISCOVER 4 distance NOE simple 73 parsed_1lb7 1
1 1lb7.mr . . DISCOVER 5 distance NOE simple 25 parsed_1lb7 1
1 1lb7.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 26 parsed_1lb7 1
1 1lb7.mr . . DISCOVER 7 "dihedral angle" "Not applicable" "Not applicable" 30 parsed_1lb7 1
1 1lb7.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1lb7 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_1lb7
_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 02-APR-02 1LB7
*TITLE IGF-F1-1, A PEPTIDE ANTAGONIST OF IGF-1
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: IGF-1 ANTAGONIST F1-1;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: DE NOVO SEQUENCE DERIVED FROM PHAGE DISPLAY
*SOURCE 4 LIBRARY
*KEYWDS LOOP-HELIX, DISULFIDE, PEPTIDE
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR K.DESHAYES, M.L.SCHAFFER, N.J.SKELTON, G.R.NAKAMURA,
*AUTHOR 2 S.KADKHODAYAN, S.S.SIDHU
*REVDAT 1 19-JUN-02 1LB7 0
;
save_
save_Discover_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lb7
_Distance_constraint_list.ID 1
_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_1lb7 1
2 1 . . . parsed_1lb7 1
3 1 . . . parsed_1lb7 1
4 1 . . . parsed_1lb7 1
5 1 . . . parsed_1lb7 1
6 1 . . . parsed_1lb7 1
7 1 . . . parsed_1lb7 1
8 1 . . . parsed_1lb7 1
9 1 . . . parsed_1lb7 1
10 1 . . . parsed_1lb7 1
11 1 . . . parsed_1lb7 1
12 1 . . . parsed_1lb7 1
13 1 . . . parsed_1lb7 1
14 1 . . . parsed_1lb7 1
15 1 . . . parsed_1lb7 1
16 1 . . . parsed_1lb7 1
17 1 . . . parsed_1lb7 1
18 1 . . . parsed_1lb7 1
19 1 . . . parsed_1lb7 1
20 1 . . . parsed_1lb7 1
21 1 . . . parsed_1lb7 1
22 1 . . . parsed_1lb7 1
23 1 . . . parsed_1lb7 1
24 1 . . . parsed_1lb7 1
25 1 . . . parsed_1lb7 1
26 1 . . . parsed_1lb7 1
27 1 . . . parsed_1lb7 1
28 1 . . . parsed_1lb7 1
29 1 . . . parsed_1lb7 1
30 1 . . . parsed_1lb7 1
31 1 . . . parsed_1lb7 1
32 1 . . . parsed_1lb7 1
33 1 . . . parsed_1lb7 1
34 1 . . . parsed_1lb7 1
35 1 . . . parsed_1lb7 1
36 1 . . . parsed_1lb7 1
37 1 . . . parsed_1lb7 1
38 1 . . . parsed_1lb7 1
39 1 . . . parsed_1lb7 1
40 1 . . . parsed_1lb7 1
41 1 . . . parsed_1lb7 1
42 1 . . . parsed_1lb7 1
43 1 . . . parsed_1lb7 1
44 1 . . . parsed_1lb7 1
45 1 . . . parsed_1lb7 1
46 1 . . . parsed_1lb7 1
47 1 . . . parsed_1lb7 1
48 1 . . . parsed_1lb7 1
49 1 . . . parsed_1lb7 1
50 1 . . . parsed_1lb7 1
51 1 . . . parsed_1lb7 1
52 1 . . . parsed_1lb7 1
53 1 . . . parsed_1lb7 1
54 1 . . . parsed_1lb7 1
55 1 . . . parsed_1lb7 1
56 1 . . . parsed_1lb7 1
57 1 . . . parsed_1lb7 1
58 1 . . . parsed_1lb7 1
59 1 . . . parsed_1lb7 1
60 1 . . . parsed_1lb7 1
61 1 . . . parsed_1lb7 1
62 1 . . . parsed_1lb7 1
63 1 . . . parsed_1lb7 1
64 1 . . . parsed_1lb7 1
65 1 . . . parsed_1lb7 1
66 1 . . . parsed_1lb7 1
67 1 . . . parsed_1lb7 1
68 1 . . . parsed_1lb7 1
69 1 . . . parsed_1lb7 1
70 1 . . . parsed_1lb7 1
71 1 . . . parsed_1lb7 1
72 1 . . . parsed_1lb7 1
73 1 . . . parsed_1lb7 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 3 CYS HA parsed_1lb7 1
1 1 2 . . . . . . . . 1 9 ALA HB* parsed_1lb7 1
2 1 1 . . . . . . . . 1 3 CYS HN parsed_1lb7 1
2 1 2 . . . . . . . . 1 2 ASN HA parsed_1lb7 1
3 1 1 . . . . . . . . 1 3 CYS HN parsed_1lb7 1
3 1 2 . . . . . . . . 1 3 CYS HA parsed_1lb7 1
4 1 1 . . . . . . . . 1 4 PHE HA parsed_1lb7 1
4 1 2 . . . . . . . . 1 9 ALA HB* parsed_1lb7 1
5 1 1 . . . . . . . . 1 4 PHE HA parsed_1lb7 1
5 1 2 . . . . . . . . 1 10 LEU HD1* parsed_1lb7 1
6 1 1 . . . . . . . . 1 4 PHE HA parsed_1lb7 1
6 1 2 . . . . . . . . 1 10 LEU HD2* parsed_1lb7 1
7 1 1 . . . . . . . . 1 4 PHE HN parsed_1lb7 1
7 1 2 . . . . . . . . 1 2 ASN HA parsed_1lb7 1
8 1 1 . . . . . . . . 1 4 PHE HN parsed_1lb7 1
8 1 2 . . . . . . . . 1 4 PHE HA parsed_1lb7 1
9 1 1 . . . . . . . . 1 4 PHE HN parsed_1lb7 1
9 1 2 . . . . . . . . 1 4 PHE HBR parsed_1lb7 1
10 1 1 . . . . . . . . 1 4 PHE HZ parsed_1lb7 1
10 1 2 . . . . . . . . 1 10 LEU HD* parsed_1lb7 1
11 1 1 . . . . . . . . 1 5 GLU HG1 parsed_1lb7 1
11 1 2 . . . . . . . . 1 9 ALA HB* parsed_1lb7 1
12 1 1 . . . . . . . . 1 5 GLU HG2 parsed_1lb7 1
12 1 2 . . . . . . . . 1 9 ALA HB* parsed_1lb7 1
13 1 1 . . . . . . . . 1 5 GLU HN parsed_1lb7 1
13 1 2 . . . . . . . . 1 5 GLU HA parsed_1lb7 1
14 1 1 . . . . . . . . 1 5 GLU HN parsed_1lb7 1
14 1 2 . . . . . . . . 1 5 GLU HG1 parsed_1lb7 1
15 1 1 . . . . . . . . 1 5 GLU HN parsed_1lb7 1
15 1 2 . . . . . . . . 1 5 GLU HG2 parsed_1lb7 1
16 1 1 . . . . . . . . 1 6 SER HA parsed_1lb7 1
16 1 2 . . . . . . . . 1 7 VAL HG1* parsed_1lb7 1
17 1 1 . . . . . . . . 1 6 SER HA parsed_1lb7 1
17 1 2 . . . . . . . . 1 7 VAL HG2* parsed_1lb7 1
18 1 1 . . . . . . . . 1 6 SER HN parsed_1lb7 1
18 1 2 . . . . . . . . 1 9 ALA HB* parsed_1lb7 1
19 1 1 . . . . . . . . 1 6 SER HN parsed_1lb7 1
19 1 2 . . . . . . . . 1 6 SER HA parsed_1lb7 1
20 1 1 . . . . . . . . 1 7 VAL HA parsed_1lb7 1
20 1 2 . . . . . . . . 1 10 LEU HD1* parsed_1lb7 1
21 1 1 . . . . . . . . 1 7 VAL HA parsed_1lb7 1
21 1 2 . . . . . . . . 1 10 LEU HD2* parsed_1lb7 1
22 1 1 . . . . . . . . 1 7 VAL HN parsed_1lb7 1
22 1 2 . . . . . . . . 1 6 SER HA parsed_1lb7 1
23 1 1 . . . . . . . . 1 7 VAL HN parsed_1lb7 1
23 1 2 . . . . . . . . 1 7 VAL HA parsed_1lb7 1
24 1 1 . . . . . . . . 1 8 ALA HA parsed_1lb7 1
24 1 2 . . . . . . . . 1 11 ARG HB1 parsed_1lb7 1
25 1 1 . . . . . . . . 1 8 ALA HA parsed_1lb7 1
25 1 2 . . . . . . . . 1 11 ARG HB2 parsed_1lb7 1
26 1 1 . . . . . . . . 1 8 ALA HA parsed_1lb7 1
26 1 2 . . . . . . . . 1 11 ARG HG1 parsed_1lb7 1
27 1 1 . . . . . . . . 1 8 ALA HA parsed_1lb7 1
27 1 2 . . . . . . . . 1 11 ARG HG2 parsed_1lb7 1
28 1 1 . . . . . . . . 1 8 ALA HA parsed_1lb7 1
28 1 2 . . . . . . . . 1 7 VAL HG* parsed_1lb7 1
29 1 1 . . . . . . . . 1 8 ALA HN parsed_1lb7 1
29 1 2 . . . . . . . . 1 8 ALA HA parsed_1lb7 1
30 1 1 . . . . . . . . 1 8 ALA HN parsed_1lb7 1
30 1 2 . . . . . . . . 1 7 VAL HB parsed_1lb7 1
31 1 1 . . . . . . . . 1 8 ALA HN parsed_1lb7 1
31 1 2 . . . . . . . . 1 7 VAL HG1* parsed_1lb7 1
32 1 1 . . . . . . . . 1 8 ALA HN parsed_1lb7 1
32 1 2 . . . . . . . . 1 7 VAL HG2* parsed_1lb7 1
33 1 1 . . . . . . . . 1 9 ALA HA parsed_1lb7 1
33 1 2 . . . . . . . . 1 12 ARG HG1 parsed_1lb7 1
34 1 1 . . . . . . . . 1 9 ALA HA parsed_1lb7 1
34 1 2 . . . . . . . . 1 12 ARG HG2 parsed_1lb7 1
35 1 1 . . . . . . . . 1 9 ALA HN parsed_1lb7 1
35 1 2 . . . . . . . . 1 9 ALA HA parsed_1lb7 1
36 1 1 . . . . . . . . 1 9 ALA HN parsed_1lb7 1
36 1 2 . . . . . . . . 1 10 LEU HN parsed_1lb7 1
37 1 1 . . . . . . . . 1 9 ALA HN parsed_1lb7 1
37 1 2 . . . . . . . . 1 7 VAL HA parsed_1lb7 1
38 1 1 . . . . . . . . 1 10 LEU HA parsed_1lb7 1
38 1 2 . . . . . . . . 1 13 CYS HBR parsed_1lb7 1
39 1 1 . . . . . . . . 1 10 LEU HA parsed_1lb7 1
39 1 2 . . . . . . . . 1 3 CYS HBR parsed_1lb7 1
40 1 1 . . . . . . . . 1 10 LEU HD* parsed_1lb7 1
40 1 2 . . . . . . . . 1 7 VAL HG1* parsed_1lb7 1
41 1 1 . . . . . . . . 1 10 LEU HD* parsed_1lb7 1
41 1 2 . . . . . . . . 1 7 VAL HG2* parsed_1lb7 1
42 1 1 . . . . . . . . 1 10 LEU HN parsed_1lb7 1
42 1 2 . . . . . . . . 1 8 ALA HA parsed_1lb7 1
43 1 1 . . . . . . . . 1 10 LEU HN parsed_1lb7 1
43 1 2 . . . . . . . . 1 10 LEU HA parsed_1lb7 1
44 1 1 . . . . . . . . 1 10 LEU HN parsed_1lb7 1
44 1 2 . . . . . . . . 1 10 LEU HG parsed_1lb7 1
45 1 1 . . . . . . . . 1 10 LEU HN parsed_1lb7 1
45 1 2 . . . . . . . . 1 7 VAL HA parsed_1lb7 1
46 1 1 . . . . . . . . 1 11 ARG HA parsed_1lb7 1
46 1 2 . . . . . . . . 1 14 MET HE* parsed_1lb7 1
47 1 1 . . . . . . . . 1 11 ARG HN parsed_1lb7 1
47 1 2 . . . . . . . . 1 8 ALA HA parsed_1lb7 1
48 1 1 . . . . . . . . 1 11 ARG HN parsed_1lb7 1
48 1 2 . . . . . . . . 1 11 ARG HA parsed_1lb7 1
49 1 1 . . . . . . . . 1 11 ARG HN parsed_1lb7 1
49 1 2 . . . . . . . . 1 11 ARG HG1 parsed_1lb7 1
50 1 1 . . . . . . . . 1 11 ARG HN parsed_1lb7 1
50 1 2 . . . . . . . . 1 11 ARG HG2 parsed_1lb7 1
51 1 1 . . . . . . . . 1 11 ARG HN parsed_1lb7 1
51 1 2 . . . . . . . . 1 7 VAL HA parsed_1lb7 1
52 1 1 . . . . . . . . 1 12 ARG HA parsed_1lb7 1
52 1 2 . . . . . . . . 1 15 TYR HB* parsed_1lb7 1
53 1 1 . . . . . . . . 1 12 ARG HN parsed_1lb7 1
53 1 2 . . . . . . . . 1 8 ALA HA parsed_1lb7 1
54 1 1 . . . . . . . . 1 12 ARG HN parsed_1lb7 1
54 1 2 . . . . . . . . 1 9 ALA HA parsed_1lb7 1
55 1 1 . . . . . . . . 1 12 ARG HN parsed_1lb7 1
55 1 2 . . . . . . . . 1 12 ARG HA parsed_1lb7 1
56 1 1 . . . . . . . . 1 12 ARG HN parsed_1lb7 1
56 1 2 . . . . . . . . 1 12 ARG HG1 parsed_1lb7 1
57 1 1 . . . . . . . . 1 12 ARG HN parsed_1lb7 1
57 1 2 . . . . . . . . 1 12 ARG HG2 parsed_1lb7 1
58 1 1 . . . . . . . . 1 13 CYS HN parsed_1lb7 1
58 1 2 . . . . . . . . 1 13 CYS HA parsed_1lb7 1
59 1 1 . . . . . . . . 1 13 CYS HN parsed_1lb7 1
59 1 2 . . . . . . . . 1 13 CYS HBR parsed_1lb7 1
60 1 1 . . . . . . . . 1 13 CYS HN parsed_1lb7 1
60 1 2 . . . . . . . . 1 10 LEU HA parsed_1lb7 1
61 1 1 . . . . . . . . 1 14 MET HA parsed_1lb7 1
61 1 2 . . . . . . . . 1 14 MET HE* parsed_1lb7 1
62 1 1 . . . . . . . . 1 14 MET HE* parsed_1lb7 1
62 1 2 . . . . . . . . 1 10 LEU HD1* parsed_1lb7 1
63 1 1 . . . . . . . . 1 14 MET HE* parsed_1lb7 1
63 1 2 . . . . . . . . 1 10 LEU HD2* parsed_1lb7 1
64 1 1 . . . . . . . . 1 14 MET HG1 parsed_1lb7 1
64 1 2 . . . . . . . . 1 10 LEU HD* parsed_1lb7 1
65 1 1 . . . . . . . . 1 14 MET HG2 parsed_1lb7 1
65 1 2 . . . . . . . . 1 10 LEU HD* parsed_1lb7 1
66 1 1 . . . . . . . . 1 14 MET HN parsed_1lb7 1
66 1 2 . . . . . . . . 1 11 ARG HA parsed_1lb7 1
67 1 1 . . . . . . . . 1 14 MET HN parsed_1lb7 1
67 1 2 . . . . . . . . 1 14 MET HA parsed_1lb7 1
68 1 1 . . . . . . . . 1 14 MET HN parsed_1lb7 1
68 1 2 . . . . . . . . 1 14 MET HG1 parsed_1lb7 1
69 1 1 . . . . . . . . 1 14 MET HN parsed_1lb7 1
69 1 2 . . . . . . . . 1 14 MET HG2 parsed_1lb7 1
70 1 1 . . . . . . . . 1 15 TYR HN parsed_1lb7 1
70 1 2 . . . . . . . . 1 13 CYS HA parsed_1lb7 1
71 1 1 . . . . . . . . 1 15 TYR HN parsed_1lb7 1
71 1 2 . . . . . . . . 1 14 MET HB1 parsed_1lb7 1
72 1 1 . . . . . . . . 1 15 TYR HN parsed_1lb7 1
72 1 2 . . . . . . . . 1 14 MET HB2 parsed_1lb7 1
73 1 1 . . . . . . . . 1 15 TYR HN parsed_1lb7 1
73 1 2 . . . . . . . . 1 15 TYR HA parsed_1lb7 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 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
2 1 . . . . . 2.900 -1.000 2.900 parsed_1lb7 1
3 1 . . . . . 4.300 -1.000 4.300 parsed_1lb7 1
4 1 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
5 1 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
6 1 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
7 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
8 1 . . . . . 3.400 -1.000 3.400 parsed_1lb7 1
9 1 . . . . . 3.400 -1.000 3.400 parsed_1lb7 1
10 1 . . . . . 5.500 -1.000 8.400 parsed_1lb7 1
11 1 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
12 1 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
13 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
14 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
15 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
16 1 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
17 1 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
18 1 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
19 1 . . . . . 4.300 -1.000 4.300 parsed_1lb7 1
20 1 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
21 1 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
22 1 . . . . . 3.400 -1.000 3.400 parsed_1lb7 1
23 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
24 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
25 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
26 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
27 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
28 1 . . . . . 5.500 -1.000 8.400 parsed_1lb7 1
29 1 . . . . . 4.300 -1.000 4.300 parsed_1lb7 1
30 1 . . . . . 4.300 -1.000 4.300 parsed_1lb7 1
31 1 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
32 1 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
33 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
34 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
35 1 . . . . . 4.300 -1.000 4.300 parsed_1lb7 1
36 1 . . . . . 4.300 -1.000 4.300 parsed_1lb7 1
37 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
38 1 . . . . . 4.300 -1.000 4.300 parsed_1lb7 1
39 1 . . . . . 3.400 -1.000 3.400 parsed_1lb7 1
40 1 . . . . . 5.500 -1.000 9.400 parsed_1lb7 1
41 1 . . . . . 5.500 -1.000 9.400 parsed_1lb7 1
42 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
43 1 . . . . . 3.400 -1.000 3.400 parsed_1lb7 1
44 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
45 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
46 1 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
47 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
48 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
49 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
50 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
51 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
52 1 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
53 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
54 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
55 1 . . . . . 4.300 -1.000 4.300 parsed_1lb7 1
56 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
57 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
58 1 . . . . . 4.300 -1.000 4.300 parsed_1lb7 1
59 1 . . . . . 3.400 -1.000 3.400 parsed_1lb7 1
60 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
61 1 . . . . . 5.500 -1.000 6.500 parsed_1lb7 1
62 1 . . . . . 5.500 -1.000 7.500 parsed_1lb7 1
63 1 . . . . . 5.500 -1.000 7.500 parsed_1lb7 1
64 1 . . . . . 5.500 -1.000 8.400 parsed_1lb7 1
65 1 . . . . . 5.500 -1.000 8.400 parsed_1lb7 1
66 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
67 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
68 1 . . . . . 4.300 -1.000 4.300 parsed_1lb7 1
69 1 . . . . . 4.300 -1.000 4.300 parsed_1lb7 1
70 1 . . . . . 5.500 -1.000 5.500 parsed_1lb7 1
71 1 . . . . . 4.300 -1.000 4.300 parsed_1lb7 1
72 1 . . . . . 4.300 -1.000 4.300 parsed_1lb7 1
73 1 . . . . . 4.300 -1.000 4.300 parsed_1lb7 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_distance 2 1 3 1 parsed_1lb7 1
2 "d150 68 S_Am" 4 83 4 100 parsed_1lb7 1
3 "h150 64 S_AA" 5 83 5 100 parsed_1lb7 1
4 "h150 1 S_AA" 6 83 6 100 parsed_1lb7 1
5 "d150 96 S_Am" 7 83 7 100 parsed_1lb7 1
6 "d150 95 S_A1" 8 83 8 100 parsed_1lb7 1
7 "d150 94 S_A2" 9 83 9 100 parsed_1lb7 1
8 "h150 65 S_AA" 10 83 10 100 parsed_1lb7 1
9 "h150 12 S_AA" 11 83 11 100 parsed_1lb7 1
10 "h150 23 S_AR" 12 83 12 100 parsed_1lb7 1
11 "d150 3 S_A1" 13 83 13 100 parsed_1lb7 1
12 "d150 110 S_1m" 14 83 14 100 parsed_1lb7 1
13 "d150 109 S_2m" 15 83 15 100 parsed_1lb7 1
14 "h150 15 S_AA" 16 83 16 100 parsed_1lb7 1
15 "h150 52 S_A1" 17 83 17 100 parsed_1lb7 1
16 "h150 53 S_A2" 18 83 18 100 parsed_1lb7 1
17 "d150 92 S_A1" 19 83 19 100 parsed_1lb7 1
18 "d150 93 S_A2" 20 83 20 100 parsed_1lb7 1
19 "h150 113 S_Am" 21 83 21 100 parsed_1lb7 1
20 "h150 14 S_AA" 22 83 22 100 parsed_1lb7 1
21 "d150 90 S_A1" 23 83 23 100 parsed_1lb7 1
22 "d150 89 S_A2" 24 83 24 100 parsed_1lb7 1
23 "h150 91 S_AA" 25 83 25 100 parsed_1lb7 1
24 "h150 2 S_AA" 26 83 26 100 parsed_1lb7 1
25 "d150 100 S_A1" 27 83 27 100 parsed_1lb7 1
26 "d150 101 S_A2" 28 83 28 100 parsed_1lb7 1
27 "d150 103 S_A1" 29 83 29 100 parsed_1lb7 1
28 "d150 102 S_A2" 30 83 30 100 parsed_1lb7 1
29 "d150 98 S_A1" 31 83 31 100 parsed_1lb7 1
30 "h150 4 S_AA" 32 83 32 100 parsed_1lb7 1
31 "h150 117 S_AA" 33 83 33 100 parsed_1lb7 1
32 "h150 122 S_A1" 34 83 34 100 parsed_1lb7 1
33 "h150 121 S_A2" 35 83 35 100 parsed_1lb7 1
34 "d150 105 S_A1" 36 83 36 100 parsed_1lb7 1
35 "d150 104 S_A2" 37 83 37 100 parsed_1lb7 1
36 "h150 7 S_AA" 38 83 38 100 parsed_1lb7 1
37 "h150 84 S_AA" 39 83 39 100 parsed_1lb7 1
38 "h150 103 S_AA" 40 83 40 100 parsed_1lb7 1
39 "d150 47 S_AR" 41 83 41 100 parsed_1lb7 1
40 "d150 50 S_AR" 42 83 42 100 parsed_1lb7 1
41 "d150 116 S_11" 43 83 43 100 parsed_1lb7 1
42 "d150 117 S_12" 44 83 44 100 parsed_1lb7 1
43 "h150 105 S_AA" 45 83 45 100 parsed_1lb7 1
44 "h150 11 S_AA" 46 83 46 100 parsed_1lb7 1
45 "h150 42 S_AA" 47 83 47 100 parsed_1lb7 1
46 "h150 68 S_AA" 48 83 48 100 parsed_1lb7 1
47 "d150 82 S_Am" 49 83 49 100 parsed_1lb7 1
48 "h150 96 S_AA" 50 83 50 100 parsed_1lb7 1
49 "h150 3 S_AA" 51 83 51 100 parsed_1lb7 1
50 "h150 46 S_A1" 52 83 52 100 parsed_1lb7 1
51 "h150 39 S_A2" 53 83 53 100 parsed_1lb7 1
52 "h150 102 S_AA" 54 83 54 100 parsed_1lb7 1
53 "d150 119 S_A1" 55 83 55 100 parsed_1lb7 1
54 "h150 106 S_AA" 56 83 56 100 parsed_1lb7 1
55 "h150 98 S_AA" 57 83 57 100 parsed_1lb7 1
56 "h150 13 S_AA" 58 83 58 100 parsed_1lb7 1
57 "h150 43 S_A1" 59 83 59 100 parsed_1lb7 1
58 "h150 41 S_A2" 60 83 60 100 parsed_1lb7 1
59 "h150 6 S_AA" 61 83 61 100 parsed_1lb7 1
60 "h150 21 S_AR" 62 83 62 100 parsed_1lb7 1
61 "h150 107 S_AA" 63 83 63 100 parsed_1lb7 1
62 "d150 65 S_Am" 64 83 64 100 parsed_1lb7 1
63 "d150 115 S_m1" 65 83 65 100 parsed_1lb7 1
64 "d150 113 S_m2" 66 83 66 100 parsed_1lb7 1
65 "d150 111 S_11" 67 83 67 100 parsed_1lb7 1
66 "d150 108 S_21" 68 83 68 100 parsed_1lb7 1
67 "h150 108 S_AA" 69 83 69 100 parsed_1lb7 1
68 "h150 5 S_AA" 70 83 70 100 parsed_1lb7 1
69 "h150 32 S_A1" 71 83 71 100 parsed_1lb7 1
70 "h150 31 S_A2" 72 83 72 100 parsed_1lb7 1
71 "h150 92 S_AA" 73 83 73 100 parsed_1lb7 1
72 "h150 119 S_A1" 74 83 74 100 parsed_1lb7 1
73 "h150 118 S_A2" 75 83 75 100 parsed_1lb7 1
stop_
save_
save_Discover_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1lb7
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_1lb7 2
2 1 . . . parsed_1lb7 2
3 1 . . . parsed_1lb7 2
4 1 . . . parsed_1lb7 2
5 1 . . . parsed_1lb7 2
6 1 . . . parsed_1lb7 2
7 1 . . . parsed_1lb7 2
8 1 . . . parsed_1lb7 2
9 1 . . . parsed_1lb7 2
10 1 . . . parsed_1lb7 2
11 1 . . . parsed_1lb7 2
12 1 . . . parsed_1lb7 2
13 1 . . . parsed_1lb7 2
14 1 . . . parsed_1lb7 2
15 1 . . . parsed_1lb7 2
16 1 . . . parsed_1lb7 2
17 1 . . . parsed_1lb7 2
18 1 . . . parsed_1lb7 2
19 1 . . . parsed_1lb7 2
20 1 . . . parsed_1lb7 2
21 1 . . . parsed_1lb7 2
22 1 . . . parsed_1lb7 2
23 1 . . . parsed_1lb7 2
24 1 . . . parsed_1lb7 2
25 1 . . . parsed_1lb7 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 . . . . . . . . 1 4 PHE HA parsed_1lb7 2
1 1 2 . . . . . . . . 1 10 LEU HB* parsed_1lb7 2
2 1 1 . . . . . . . . 1 4 PHE HD* parsed_1lb7 2
2 1 2 . . . . . . . . 1 10 LEU HB* parsed_1lb7 2
3 1 1 . . . . . . . . 1 4 PHE HD* parsed_1lb7 2
3 1 2 . . . . . . . . 1 10 LEU HDR* parsed_1lb7 2
4 1 1 . . . . . . . . 1 4 PHE HD* parsed_1lb7 2
4 1 2 . . . . . . . . 1 10 LEU HDS* parsed_1lb7 2
5 1 1 . . . . . . . . 1 4 PHE HD* parsed_1lb7 2
5 1 2 . . . . . . . . 1 10 LEU HG parsed_1lb7 2
6 1 1 . . . . . . . . 1 4 PHE HE* parsed_1lb7 2
6 1 2 . . . . . . . . 1 10 LEU HB* parsed_1lb7 2
7 1 1 . . . . . . . . 1 4 PHE HE* parsed_1lb7 2
7 1 2 . . . . . . . . 1 10 LEU HDR* parsed_1lb7 2
8 1 1 . . . . . . . . 1 4 PHE HE* parsed_1lb7 2
8 1 2 . . . . . . . . 1 10 LEU HDS* parsed_1lb7 2
9 1 1 . . . . . . . . 1 4 PHE HE* parsed_1lb7 2
9 1 2 . . . . . . . . 1 10 LEU HG parsed_1lb7 2
10 1 1 . . . . . . . . 1 5 GLU HB* parsed_1lb7 2
10 1 2 . . . . . . . . 1 9 ALA HB* parsed_1lb7 2
11 1 1 . . . . . . . . 1 7 VAL HA parsed_1lb7 2
11 1 2 . . . . . . . . 1 10 LEU HB* parsed_1lb7 2
12 1 1 . . . . . . . . 1 9 ALA HA parsed_1lb7 2
12 1 2 . . . . . . . . 1 12 ARG HB* parsed_1lb7 2
13 1 1 . . . . . . . . 1 10 LEU HN parsed_1lb7 2
13 1 2 . . . . . . . . 1 10 LEU HB* parsed_1lb7 2
14 1 1 . . . . . . . . 1 11 ARG HN parsed_1lb7 2
14 1 2 . . . . . . . . 1 11 ARG HD* parsed_1lb7 2
15 1 1 . . . . . . . . 1 12 ARG HA parsed_1lb7 2
15 1 2 . . . . . . . . 1 12 ARG HD* parsed_1lb7 2
16 1 1 . . . . . . . . 1 15 TYR HD* parsed_1lb7 2
16 1 2 . . . . . . . . 1 11 ARG HA parsed_1lb7 2
17 1 1 . . . . . . . . 1 15 TYR HD* parsed_1lb7 2
17 1 2 . . . . . . . . 1 11 ARG HB* parsed_1lb7 2
18 1 1 . . . . . . . . 1 15 TYR HD* parsed_1lb7 2
18 1 2 . . . . . . . . 1 11 ARG HG* parsed_1lb7 2
19 1 1 . . . . . . . . 1 15 TYR HD* parsed_1lb7 2
19 1 2 . . . . . . . . 1 12 ARG HA parsed_1lb7 2
20 1 1 . . . . . . . . 1 15 TYR HE* parsed_1lb7 2
20 1 2 . . . . . . . . 1 11 ARG HB* parsed_1lb7 2
21 1 1 . . . . . . . . 1 15 TYR HE* parsed_1lb7 2
21 1 2 . . . . . . . . 1 11 ARG HGR parsed_1lb7 2
22 1 1 . . . . . . . . 1 15 TYR HE* parsed_1lb7 2
22 1 2 . . . . . . . . 1 11 ARG HGS parsed_1lb7 2
23 1 1 . . . . . . . . 1 15 TYR HE* parsed_1lb7 2
23 1 2 . . . . . . . . 1 14 MET HE* parsed_1lb7 2
24 1 1 . . . . . . . . 1 15 TYR HE* parsed_1lb7 2
24 1 2 . . . . . . . . 1 14 MET HGR parsed_1lb7 2
25 1 1 . . . . . . . . 1 15 TYR HE* parsed_1lb7 2
25 1 2 . . . . . . . . 1 14 MET HGS parsed_1lb7 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 . . . . . . -1.000 5.500 parsed_1lb7 2
2 1 . . . . . . -1.000 5.500 parsed_1lb7 2
3 1 . . . . . . -1.000 6.500 parsed_1lb7 2
4 1 . . . . . . -1.000 6.500 parsed_1lb7 2
5 1 . . . . . . -1.000 5.500 parsed_1lb7 2
6 1 . . . . . . -1.000 5.500 parsed_1lb7 2
7 1 . . . . . . -1.000 6.500 parsed_1lb7 2
8 1 . . . . . . -1.000 6.500 parsed_1lb7 2
9 1 . . . . . . -1.000 5.500 parsed_1lb7 2
10 1 . . . . . . -1.000 6.500 parsed_1lb7 2
11 1 . . . . . . -1.000 4.300 parsed_1lb7 2
12 1 . . . . . . -1.000 5.500 parsed_1lb7 2
13 1 . . . . . . -1.000 3.400 parsed_1lb7 2
14 1 . . . . . . -1.000 5.500 parsed_1lb7 2
15 1 . . . . . . -1.000 4.300 parsed_1lb7 2
16 1 . . . . . . -1.000 5.500 parsed_1lb7 2
17 1 . . . . . . -1.000 6.500 parsed_1lb7 2
18 1 . . . . . . -1.000 6.500 parsed_1lb7 2
19 1 . . . . . . -1.000 5.500 parsed_1lb7 2
20 1 . . . . . . -1.000 6.500 parsed_1lb7 2
21 1 . . . . . . -1.000 5.500 parsed_1lb7 2
22 1 . . . . . . -1.000 5.500 parsed_1lb7 2
23 1 . . . . . . -1.000 6.500 parsed_1lb7 2
24 1 . . . . . . -1.000 5.500 parsed_1lb7 2
25 1 . . . . . . -1.000 5.500 parsed_1lb7 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 NOE_distance_overlapped 1 1 3 1 parsed_1lb7 2
2 "d150 60 S_AQ" 4 83 4 100 parsed_1lb7 2
3 "d150 30 S_PQ" 5 83 5 100 parsed_1lb7 2
4 "d150 2 S_P1" 6 83 6 100 parsed_1lb7 2
5 "d150 5 S_P2" 7 83 7 100 parsed_1lb7 2
6 "d150 25 S_PA" 8 83 8 100 parsed_1lb7 2
7 "d150 23 S_PQ" 9 83 9 100 parsed_1lb7 2
8 "d150 1 S_P1" 10 83 10 100 parsed_1lb7 2
9 "d150 4 S_P2" 11 83 11 100 parsed_1lb7 2
10 "d150 24 S_PA" 12 83 12 100 parsed_1lb7 2
11 "d150 112 S_Qm" 13 83 13 100 parsed_1lb7 2
12 "d150 63 S_AQ" 14 83 14 100 parsed_1lb7 2
13 "d150 78 S_AQ" 15 83 15 100 parsed_1lb7 2
14 "h150 35 S_AQ" 16 83 16 100 parsed_1lb7 2
15 "h150 27 S_AQ" 17 83 17 100 parsed_1lb7 2
16 "d150 48 S_AQ" 18 83 18 100 parsed_1lb7 2
17 "d150 37 S_PA" 19 83 19 100 parsed_1lb7 2
18 "d150 120 S_P2" 20 83 20 100 parsed_1lb7 2
19 "d150 27 S_P2" 21 83 21 100 parsed_1lb7 2
20 "d150 36 S_PA" 22 83 22 100 parsed_1lb7 2
21 "d150 19 S_P2" 23 83 23 100 parsed_1lb7 2
22 "d150 15 S_P1" 24 83 24 100 parsed_1lb7 2
23 "d150 16 S_P2" 25 83 25 100 parsed_1lb7 2
24 "d150 18 S_Pm" 26 83 26 100 parsed_1lb7 2
25 "d150 122 S_P1" 27 83 27 100 parsed_1lb7 2
stop_
save_
save_Discover_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1lb7
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 1 AR+N C 1 2 ASN N 1 2 ASN CA 1 2 ASN C parsed_1lb7 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . 1 2 ASN C 1 3 CYS N 1 3 CYS CA 1 3 CYS C parsed_1lb7 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . 1 3 CYS C 1 4 PHE N 1 4 PHE CA 1 4 PHE C parsed_1lb7 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 4 PHE C 1 5 GLU N 1 5 GLU CA 1 5 GLU C parsed_1lb7 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 5 GLU C 1 6 SER N 1 6 SER CA 1 6 SER C parsed_1lb7 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -28.0 . 1 6 SER C 1 7 VAL N 1 7 VAL CA 1 7 VAL C parsed_1lb7 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 7.0 . 1 7 VAL N 1 7 VAL CA 1 7 VAL C 1 8 ALA N parsed_1lb7 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . 1 7 VAL C 1 8 ALA N 1 8 ALA CA 1 8 ALA C parsed_1lb7 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 0.0 . 1 8 ALA N 1 8 ALA CA 1 8 ALA C 1 9 ALA N parsed_1lb7 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . 1 8 ALA C 1 9 ALA N 1 9 ALA CA 1 9 ALA C parsed_1lb7 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -4.0 . 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 LEU N parsed_1lb7 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . 1 9 ALA C 1 10 LEU N 1 10 LEU CA 1 10 LEU C parsed_1lb7 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 2.0 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 ARG N parsed_1lb7 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . 1 10 LEU C 1 11 ARG N 1 11 ARG CA 1 11 ARG C parsed_1lb7 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 8.0 . 1 11 ARG N 1 11 ARG CA 1 11 ARG C 1 12 ARG N parsed_1lb7 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . 1 11 ARG C 1 12 ARG N 1 12 ARG CA 1 12 ARG C parsed_1lb7 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . 1 12 ARG N 1 12 ARG CA 1 12 ARG C 1 13 CYS N parsed_1lb7 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -33.0 . 1 12 ARG C 1 13 CYS N 1 13 CYS CA 1 13 CYS C parsed_1lb7 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.0 1.0 . 1 13 CYS N 1 13 CYS CA 1 13 CYS C 1 14 MET N parsed_1lb7 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.0 -38.0 . 1 13 CYS C 1 14 MET N 1 14 MET CA 1 14 MET C parsed_1lb7 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 12.0 . 1 14 MET N 1 14 MET CA 1 14 MET C 1 15 TYR N parsed_1lb7 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . 1 14 MET C 1 15 TYR N 1 15 TYR CA 1 15 TYR C parsed_1lb7 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . 1 3 CYS N 1 3 CYS CA 1 3 CYS CB 1 3 CYS SG parsed_1lb7 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . 1 4 PHE N 1 4 PHE CA 1 4 PHE CB 1 4 PHE CG parsed_1lb7 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . 1 6 SER N 1 6 SER CA 1 6 SER CB 1 6 SER OG parsed_1lb7 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 -30.0 . 1 13 CYS N 1 13 CYS CA 1 13 CYS CB 1 13 CYS SG parsed_1lb7 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 NMR_dihedral 1 1 1 13 parsed_1lb7 1
stop_
save_
save_Discover_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1lb7
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 1 AR+N CA 1 1 AR+N C 1 2 ASN N 1 2 ASN CA parsed_1lb7 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 1 AR+N O 1 1 AR+N C 1 2 ASN N 1 2 ASN HN parsed_1lb7 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 2 ASN CA 1 2 ASN C 1 3 CYS N 1 3 CYS CA parsed_1lb7 2
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 2 ASN O 1 2 ASN C 1 3 CYS N 1 3 CYS HN parsed_1lb7 2
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 3 CYS CA 1 3 CYS C 1 4 PHE N 1 4 PHE CA parsed_1lb7 2
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 3 CYS O 1 3 CYS C 1 4 PHE N 1 4 PHE HN parsed_1lb7 2
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 4 PHE CA 1 4 PHE C 1 5 GLU N 1 5 GLU CA parsed_1lb7 2
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 4 PHE O 1 4 PHE C 1 5 GLU N 1 5 GLU HN parsed_1lb7 2
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 5 GLU CA 1 5 GLU C 1 6 SER N 1 6 SER CA parsed_1lb7 2
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 5 GLU O 1 5 GLU C 1 6 SER N 1 6 SER HN parsed_1lb7 2
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 6 SER CA 1 6 SER C 1 7 VAL N 1 7 VAL CA parsed_1lb7 2
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 6 SER O 1 6 SER C 1 7 VAL N 1 7 VAL HN parsed_1lb7 2
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 7 VAL CA 1 7 VAL C 1 8 ALA N 1 8 ALA CA parsed_1lb7 2
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 7 VAL O 1 7 VAL C 1 8 ALA N 1 8 ALA HN parsed_1lb7 2
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 8 ALA CA 1 8 ALA C 1 9 ALA N 1 9 ALA CA parsed_1lb7 2
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 8 ALA O 1 8 ALA C 1 9 ALA N 1 9 ALA HN parsed_1lb7 2
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 9 ALA CA 1 9 ALA C 1 10 LEU N 1 10 LEU CA parsed_1lb7 2
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 9 ALA O 1 9 ALA C 1 10 LEU N 1 10 LEU HN parsed_1lb7 2
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 10 LEU CA 1 10 LEU C 1 11 ARG N 1 11 ARG CA parsed_1lb7 2
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 10 LEU O 1 10 LEU C 1 11 ARG N 1 11 ARG HN parsed_1lb7 2
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 11 ARG CA 1 11 ARG C 1 12 ARG N 1 12 ARG CA parsed_1lb7 2
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 11 ARG O 1 11 ARG C 1 12 ARG N 1 12 ARG HN parsed_1lb7 2
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 12 ARG CA 1 12 ARG C 1 13 CYS N 1 13 CYS CA parsed_1lb7 2
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 12 ARG O 1 12 ARG C 1 13 CYS N 1 13 CYS HN parsed_1lb7 2
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 13 CYS CA 1 13 CYS C 1 14 MET N 1 14 MET CA parsed_1lb7 2
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 13 CYS O 1 13 CYS C 1 14 MET N 1 14 MET HN parsed_1lb7 2
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 14 MET CA 1 14 MET C 1 15 TYR N 1 15 TYR CA parsed_1lb7 2
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 14 MET O 1 14 MET C 1 15 TYR N 1 15 TYR HN parsed_1lb7 2
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 15 TYR CA 1 15 TYR C 1 16 GLYC N 1 16 GLYC CA parsed_1lb7 2
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 15 TYR O 1 15 TYR C 1 16 GLYC N 1 16 GLYC HN parsed_1lb7 2
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 NMR_dihedral 1 1 2 13 parsed_1lb7 2
stop_
save_
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