NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
35072 |
1kwd   |
cing | 2-parsed | STAR | entry | full | 96 |
data_1kwd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1kwd
_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_1kwd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1kwd
_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 1kwd "Master copy" parsed_1kwd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1kwd
_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 1kwd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1kwd 1
1 1kwd.mr . . DISCOVER 2 distance NOE simple 76 parsed_1kwd 1
1 1kwd.mr . . DISCOVER 3 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_1kwd 1
1 1kwd.mr . . DISCOVER 4 stereochemistry chirality "Not applicable" 0 parsed_1kwd 1
1 1kwd.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1kwd 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_1kwd
_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 VIRUS/VIRAL PROTEIN 29-JAN-02 1KWD
*TITLE SOLUTION STRUCTURE OF THE CENTRAL CONSERVED REGION OF HUMAN
*TITLE 2 RESPIRATORY SYNCYTIAL VIRUS ATTACHMENT GLYCOPROTEIN G 187
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: MAJOR SURFACE GLYCOPROTEIN G;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: RESIDUES 172-187;
*COMPND 5 SYNONYM: ATTACHMENT GLYCOPROTEIN G;
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: SYNTHESIS OF THE PEPTIDE WAS PERFORMED BY A
*SOURCE 4 SOLID PHASE METHOD USING FMOC/TBU CHEMISTRY.
*KEYWDS CYSTEINE NOSE
*EXPDTA NMR, 16 STRUCTURES
*AUTHOR M.SUGAWARA, J.CZAPLICKI, J.FERRAGE, J.F.HAEUW, U.F.POWER,
*AUTHOR 2 N.CORVAIA, T.NGUYEN, A.BECK, A.MILON
*REVDAT 1 17-JUN-03 1KWD 0
;
save_
save_Discover_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1kwd
_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_1kwd 1
2 1 . . . parsed_1kwd 1
3 1 . . . parsed_1kwd 1
4 1 . . . parsed_1kwd 1
5 1 . . . parsed_1kwd 1
6 1 . . . parsed_1kwd 1
7 1 . . . parsed_1kwd 1
8 1 . . . parsed_1kwd 1
9 1 . . . parsed_1kwd 1
10 1 . . . parsed_1kwd 1
11 1 . . . parsed_1kwd 1
12 1 . . . parsed_1kwd 1
13 1 . . . parsed_1kwd 1
14 1 . . . parsed_1kwd 1
15 1 . . . parsed_1kwd 1
16 1 . . . parsed_1kwd 1
17 1 . . . parsed_1kwd 1
18 1 . . . parsed_1kwd 1
19 1 . . . parsed_1kwd 1
20 1 . . . parsed_1kwd 1
21 1 . . . parsed_1kwd 1
22 1 . . . parsed_1kwd 1
23 1 . . . parsed_1kwd 1
24 1 . . . parsed_1kwd 1
25 1 . . . parsed_1kwd 1
26 1 . . . parsed_1kwd 1
27 1 . . . parsed_1kwd 1
28 1 . . . parsed_1kwd 1
29 1 . . . parsed_1kwd 1
30 1 . . . parsed_1kwd 1
31 1 . . . parsed_1kwd 1
32 1 . . . parsed_1kwd 1
33 1 . . . parsed_1kwd 1
34 1 . . . parsed_1kwd 1
35 1 . . . parsed_1kwd 1
36 1 . . . parsed_1kwd 1
37 1 . . . parsed_1kwd 1
38 1 . . . parsed_1kwd 1
39 1 . . . parsed_1kwd 1
40 1 . . . parsed_1kwd 1
41 1 . . . parsed_1kwd 1
42 1 . . . parsed_1kwd 1
43 1 . . . parsed_1kwd 1
44 1 . . . parsed_1kwd 1
45 1 . . . parsed_1kwd 1
46 1 . . . parsed_1kwd 1
47 1 . . . parsed_1kwd 1
48 1 . . . parsed_1kwd 1
49 1 . . . parsed_1kwd 1
50 1 . . . parsed_1kwd 1
51 1 . . . parsed_1kwd 1
52 1 . . . parsed_1kwd 1
53 1 . . . parsed_1kwd 1
54 1 . . . parsed_1kwd 1
55 1 . . . parsed_1kwd 1
56 1 . . . parsed_1kwd 1
57 1 . . . parsed_1kwd 1
58 1 . . . parsed_1kwd 1
59 1 . . . parsed_1kwd 1
60 1 . . . parsed_1kwd 1
61 1 . . . parsed_1kwd 1
62 1 . . . parsed_1kwd 1
63 1 . . . parsed_1kwd 1
64 1 . . . parsed_1kwd 1
65 1 . . . parsed_1kwd 1
66 1 . . . parsed_1kwd 1
67 1 . . . parsed_1kwd 1
68 1 . . . parsed_1kwd 1
69 1 . . . parsed_1kwd 1
70 1 . . . parsed_1kwd 1
71 1 . . . parsed_1kwd 1
72 1 . . . parsed_1kwd 1
73 1 . . . parsed_1kwd 1
74 1 . . . parsed_1kwd 1
75 1 . . . parsed_1kwd 1
76 1 . . . parsed_1kwd 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 12 TRP HZ2 parsed_1kwd 1
1 1 2 . . . . . . . . 1 12 TRP HE1 parsed_1kwd 1
2 1 1 . . . . . . . . 1 12 TRP HD1 parsed_1kwd 1
2 1 2 . . . . . . . . 1 12 TRP HE1 parsed_1kwd 1
3 1 1 . . . . . . . . 1 3 SER HN parsed_1kwd 1
3 1 2 . . . . . . . . 1 2 CYS HN parsed_1kwd 1
4 1 1 . . . . . . . . 1 12 TRP HN parsed_1kwd 1
4 1 2 . . . . . . . . 1 10 THR HA parsed_1kwd 1
5 1 1 . . . . . . . . 1 16 LY+C HN parsed_1kwd 1
5 1 2 . . . . . . . . 1 15 CYS HN parsed_1kwd 1
6 1 1 . . . . . . . . 1 4 ILE HN parsed_1kwd 1
6 1 2 . . . . . . . . 1 3 SER HN parsed_1kwd 1
7 1 1 . . . . . . . . 1 11 CYS HN parsed_1kwd 1
7 1 2 . . . . . . . . 1 10 THR HA parsed_1kwd 1
8 1 1 . . . . . . . . 1 6 SER HN parsed_1kwd 1
8 1 2 . . . . . . . . 1 7 ASN HN parsed_1kwd 1
9 1 1 . . . . . . . . 1 2 CYS HN parsed_1kwd 1
9 1 2 . . . . . . . . 1 2 CYS HA parsed_1kwd 1
10 1 1 . . . . . . . . 1 8 ASN HN parsed_1kwd 1
10 1 2 . . . . . . . . 1 7 ASN HA parsed_1kwd 1
11 1 1 . . . . . . . . 1 5 CYS HN parsed_1kwd 1
11 1 2 . . . . . . . . 1 6 SER HN parsed_1kwd 1
12 1 1 . . . . . . . . 1 8 ASN HN parsed_1kwd 1
12 1 2 . . . . . . . . 1 8 ASN HA parsed_1kwd 1
13 1 1 . . . . . . . . 1 4 ILE HN parsed_1kwd 1
13 1 2 . . . . . . . . 1 5 CYS HN parsed_1kwd 1
14 1 1 . . . . . . . . 1 15 CYS HN parsed_1kwd 1
14 1 2 . . . . . . . . 1 15 CYS HA parsed_1kwd 1
15 1 1 . . . . . . . . 1 8 ASN HN parsed_1kwd 1
15 1 2 . . . . . . . . 1 7 ASN HN parsed_1kwd 1
16 1 1 . . . . . . . . 1 3 SER HN parsed_1kwd 1
16 1 2 . . . . . . . . 1 3 SER HA parsed_1kwd 1
17 1 1 . . . . . . . . 1 12 TRP HN parsed_1kwd 1
17 1 2 . . . . . . . . 1 12 TRP HA parsed_1kwd 1
18 1 1 . . . . . . . . 1 12 TRP HN parsed_1kwd 1
18 1 2 . . . . . . . . 1 11 CYS HN parsed_1kwd 1
19 1 1 . . . . . . . . 1 10 THR HN parsed_1kwd 1
19 1 2 . . . . . . . . 1 9 PRO HA parsed_1kwd 1
20 1 1 . . . . . . . . 1 8 ASN HD22 parsed_1kwd 1
20 1 2 . . . . . . . . 1 8 ASN HD21 parsed_1kwd 1
21 1 1 . . . . . . . . 1 7 ASN HD22 parsed_1kwd 1
21 1 2 . . . . . . . . 1 7 ASN HD21 parsed_1kwd 1
22 1 1 . . . . . . . . 1 14 ILE HN parsed_1kwd 1
22 1 2 . . . . . . . . 1 14 ILE HA parsed_1kwd 1
23 1 1 . . . . . . . . 1 9 PRO HD* parsed_1kwd 1
23 1 2 . . . . . . . . 1 8 ASN HA parsed_1kwd 1
24 1 1 . . . . . . . . 1 11 CYS HN parsed_1kwd 1
24 1 2 . . . . . . . . 1 11 CYS HA parsed_1kwd 1
25 1 1 . . . . . . . . 1 13 ALA HN parsed_1kwd 1
25 1 2 . . . . . . . . 1 12 TRP HN parsed_1kwd 1
26 1 1 . . . . . . . . 1 16 LY+C HN parsed_1kwd 1
26 1 2 . . . . . . . . 1 16 LY+C HA parsed_1kwd 1
27 1 1 . . . . . . . . 1 13 ALA HN parsed_1kwd 1
27 1 2 . . . . . . . . 1 13 ALA HA parsed_1kwd 1
28 1 1 . . . . . . . . 1 14 ILE HN parsed_1kwd 1
28 1 2 . . . . . . . . 1 15 CYS HN parsed_1kwd 1
29 1 1 . . . . . . . . 1 13 ALA HN parsed_1kwd 1
29 1 2 . . . . . . . . 1 12 TRP HA parsed_1kwd 1
30 1 1 . . . . . . . . 1 7 ASN HN parsed_1kwd 1
30 1 2 . . . . . . . . 1 6 SER HA parsed_1kwd 1
31 1 1 . . . . . . . . 1 2 CYS HN parsed_1kwd 1
31 1 2 . . . . . . . . 1 1 PROn HA parsed_1kwd 1
32 1 1 . . . . . . . . 1 14 ILE HN parsed_1kwd 1
32 1 2 . . . . . . . . 1 13 ALA HA parsed_1kwd 1
33 1 1 . . . . . . . . 1 4 ILE HN parsed_1kwd 1
33 1 2 . . . . . . . . 1 3 SER HA parsed_1kwd 1
34 1 1 . . . . . . . . 1 6 SER HN parsed_1kwd 1
34 1 2 . . . . . . . . 1 6 SER HA parsed_1kwd 1
35 1 1 . . . . . . . . 1 12 TRP HN parsed_1kwd 1
35 1 2 . . . . . . . . 1 11 CYS HA parsed_1kwd 1
36 1 1 . . . . . . . . 1 14 ILE HN parsed_1kwd 1
36 1 2 . . . . . . . . 1 13 ALA HN parsed_1kwd 1
37 1 1 . . . . . . . . 1 15 CYS HN parsed_1kwd 1
37 1 2 . . . . . . . . 1 14 ILE HA parsed_1kwd 1
38 1 1 . . . . . . . . 1 10 THR HN parsed_1kwd 1
38 1 2 . . . . . . . . 1 11 CYS HN parsed_1kwd 1
39 1 1 . . . . . . . . 1 11 CYS HN parsed_1kwd 1
39 1 2 . . . . . . . . 1 10 THR HB parsed_1kwd 1
40 1 1 . . . . . . . . 1 7 ASN HN parsed_1kwd 1
40 1 2 . . . . . . . . 1 7 ASN HA parsed_1kwd 1
41 1 1 . . . . . . . . 1 6 SER HN parsed_1kwd 1
41 1 2 . . . . . . . . 1 5 CYS HA parsed_1kwd 1
42 1 1 . . . . . . . . 1 4 ILE HN parsed_1kwd 1
42 1 2 . . . . . . . . 1 3 SER HB* parsed_1kwd 1
43 1 1 . . . . . . . . 1 3 SER HN parsed_1kwd 1
43 1 2 . . . . . . . . 1 3 SER HB* parsed_1kwd 1
44 1 1 . . . . . . . . 1 7 ASN HN parsed_1kwd 1
44 1 2 . . . . . . . . 1 6 SER HB* parsed_1kwd 1
45 1 1 . . . . . . . . 1 6 SER HN parsed_1kwd 1
45 1 2 . . . . . . . . 1 6 SER HB* parsed_1kwd 1
46 1 1 . . . . . . . . 1 12 TRP HN parsed_1kwd 1
46 1 2 . . . . . . . . 1 12 TRP HB* parsed_1kwd 1
47 1 1 . . . . . . . . 1 13 ALA HN parsed_1kwd 1
47 1 2 . . . . . . . . 1 12 TRP HB* parsed_1kwd 1
48 1 1 . . . . . . . . 1 12 TRP HE3 parsed_1kwd 1
48 1 2 . . . . . . . . 1 12 TRP HB* parsed_1kwd 1
49 1 1 . . . . . . . . 1 16 LY+C HN parsed_1kwd 1
49 1 2 . . . . . . . . 1 15 CYS HB* parsed_1kwd 1
50 1 1 . . . . . . . . 1 15 CYS HN parsed_1kwd 1
50 1 2 . . . . . . . . 1 15 CYS HB* parsed_1kwd 1
51 1 1 . . . . . . . . 1 12 TRP HN parsed_1kwd 1
51 1 2 . . . . . . . . 1 11 CYS HB* parsed_1kwd 1
52 1 1 . . . . . . . . 1 11 CYS HN parsed_1kwd 1
52 1 2 . . . . . . . . 1 11 CYS HB* parsed_1kwd 1
53 1 1 . . . . . . . . 1 2 CYS HN parsed_1kwd 1
53 1 2 . . . . . . . . 1 2 CYS HB* parsed_1kwd 1
54 1 1 . . . . . . . . 1 3 SER HN parsed_1kwd 1
54 1 2 . . . . . . . . 1 2 CYS HB* parsed_1kwd 1
55 1 1 . . . . . . . . 1 8 ASN HD21 parsed_1kwd 1
55 1 2 . . . . . . . . 1 8 ASN HB* parsed_1kwd 1
56 1 1 . . . . . . . . 1 8 ASN HN parsed_1kwd 1
56 1 2 . . . . . . . . 1 9 PRO HD* parsed_1kwd 1
57 1 1 . . . . . . . . 1 12 TRP HE1 parsed_1kwd 1
57 1 2 . . . . . . . . 1 5 CYS HB* parsed_1kwd 1
58 1 1 . . . . . . . . 1 5 CYS HN parsed_1kwd 1
58 1 2 . . . . . . . . 1 5 CYS HB* parsed_1kwd 1
59 1 1 . . . . . . . . 1 6 SER HN parsed_1kwd 1
59 1 2 . . . . . . . . 1 5 CYS HB* parsed_1kwd 1
60 1 1 . . . . . . . . 1 7 ASN HN parsed_1kwd 1
60 1 2 . . . . . . . . 1 7 ASN HB* parsed_1kwd 1
61 1 1 . . . . . . . . 1 7 ASN HD21 parsed_1kwd 1
61 1 2 . . . . . . . . 1 7 ASN HB* parsed_1kwd 1
62 1 1 . . . . . . . . 1 9 PRO HA parsed_1kwd 1
62 1 2 . . . . . . . . 1 9 PRO HG* parsed_1kwd 1
63 1 1 . . . . . . . . 1 15 CYS HN parsed_1kwd 1
63 1 2 . . . . . . . . 1 14 ILE HB parsed_1kwd 1
64 1 1 . . . . . . . . 1 10 THR HN parsed_1kwd 1
64 1 2 . . . . . . . . 1 9 PRO HB* parsed_1kwd 1
65 1 1 . . . . . . . . 1 4 ILE HN parsed_1kwd 1
65 1 2 . . . . . . . . 1 4 ILE HB parsed_1kwd 1
66 1 1 . . . . . . . . 1 14 ILE HN parsed_1kwd 1
66 1 2 . . . . . . . . 1 14 ILE HB parsed_1kwd 1
67 1 1 . . . . . . . . 1 10 THR HN parsed_1kwd 1
67 1 2 . . . . . . . . 1 10 THR HG2* parsed_1kwd 1
68 1 1 . . . . . . . . 1 12 TRP HD1 parsed_1kwd 1
68 1 2 . . . . . . . . 1 5 CYS HB* parsed_1kwd 1
69 1 1 . . . . . . . . 1 3 SER HN parsed_1kwd 1
69 1 2 . . . . . . . . 1 2 CYS HA parsed_1kwd 1
70 1 1 . . . . . . . . 1 5 CYS HN parsed_1kwd 1
70 1 2 . . . . . . . . 1 4 ILE HA parsed_1kwd 1
71 1 1 . . . . . . . . 1 7 ASN HD22 parsed_1kwd 1
71 1 2 . . . . . . . . 1 7 ASN HB* parsed_1kwd 1
72 1 1 . . . . . . . . 1 12 TRP HE3 parsed_1kwd 1
72 1 2 . . . . . . . . 1 13 ALA HA parsed_1kwd 1
73 1 1 . . . . . . . . 1 2 CYS HN parsed_1kwd 1
73 1 2 . . . . . . . . 1 1 PROn HG* parsed_1kwd 1
74 1 1 . . . . . . . . 1 5 CYS HN parsed_1kwd 1
74 1 2 . . . . . . . . 1 4 ILE HB parsed_1kwd 1
75 1 1 . . . . . . . . 1 10 THR HB parsed_1kwd 1
75 1 2 . . . . . . . . 1 10 THR HG2* parsed_1kwd 1
76 1 1 . . . . . . . . 1 16 LY+C HN parsed_1kwd 1
76 1 2 . . . . . . . . 1 15 CYS HA parsed_1kwd 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 . . . . . 3.29 1.80 3.29 parsed_1kwd 1
2 1 . . . . . 2.87 1.80 2.87 parsed_1kwd 1
3 1 . . . . . 4.11 1.80 4.11 parsed_1kwd 1
4 1 . . . . . 4.05 1.80 4.05 parsed_1kwd 1
5 1 . . . . . 4.02 1.80 4.02 parsed_1kwd 1
6 1 . . . . . 3.92 1.80 3.92 parsed_1kwd 1
7 1 . . . . . 3.69 1.80 3.69 parsed_1kwd 1
8 1 . . . . . 3.65 1.80 3.65 parsed_1kwd 1
9 1 . . . . . 3.62 1.80 3.62 parsed_1kwd 1
10 1 . . . . . 3.59 1.80 3.59 parsed_1kwd 1
11 1 . . . . . 3.53 1.80 3.53 parsed_1kwd 1
12 1 . . . . . 3.48 1.80 3.48 parsed_1kwd 1
13 1 . . . . . 3.44 1.80 3.44 parsed_1kwd 1
14 1 . . . . . 3.36 1.80 3.36 parsed_1kwd 1
15 1 . . . . . 3.35 1.80 3.35 parsed_1kwd 1
16 1 . . . . . 3.35 1.80 3.35 parsed_1kwd 1
17 1 . . . . . 3.35 1.80 3.35 parsed_1kwd 1
18 1 . . . . . 3.34 1.80 3.34 parsed_1kwd 1
19 1 . . . . . 3.33 1.80 3.33 parsed_1kwd 1
20 1 . . . . . 2.29 1.80 2.29 parsed_1kwd 1
21 1 . . . . . 2.32 1.80 2.32 parsed_1kwd 1
22 1 . . . . . 3.32 1.80 3.32 parsed_1kwd 1
23 1 . . . . . 3.12 1.80 3.12 parsed_1kwd 1
24 1 . . . . . 3.29 1.80 3.29 parsed_1kwd 1
25 1 . . . . . 3.25 1.80 3.25 parsed_1kwd 1
26 1 . . . . . 3.24 1.80 3.24 parsed_1kwd 1
27 1 . . . . . 3.24 1.80 3.24 parsed_1kwd 1
28 1 . . . . . 3.24 1.80 3.24 parsed_1kwd 1
29 1 . . . . . 3.18 1.80 3.18 parsed_1kwd 1
30 1 . . . . . 3.14 1.80 3.14 parsed_1kwd 1
31 1 . . . . . 3.09 1.80 3.09 parsed_1kwd 1
32 1 . . . . . 3.08 1.80 3.08 parsed_1kwd 1
33 1 . . . . . 3.06 1.80 3.06 parsed_1kwd 1
34 1 . . . . . 3.05 1.80 3.05 parsed_1kwd 1
35 1 . . . . . 3.04 1.80 3.04 parsed_1kwd 1
36 1 . . . . . 3.02 1.80 3.02 parsed_1kwd 1
37 1 . . . . . 2.99 1.80 2.99 parsed_1kwd 1
38 1 . . . . . 2.99 1.80 2.99 parsed_1kwd 1
39 1 . . . . . 3.46 1.80 3.46 parsed_1kwd 1
40 1 . . . . . 2.98 1.80 2.98 parsed_1kwd 1
41 1 . . . . . 2.97 1.80 2.97 parsed_1kwd 1
42 1 . . . . . 4.19 1.80 4.19 parsed_1kwd 1
43 1 . . . . . 3.71 1.80 3.71 parsed_1kwd 1
44 1 . . . . . 3.84 1.80 3.84 parsed_1kwd 1
45 1 . . . . . 3.91 1.80 3.91 parsed_1kwd 1
46 1 . . . . . 3.89 1.80 3.89 parsed_1kwd 1
47 1 . . . . . 4.61 1.80 4.61 parsed_1kwd 1
48 1 . . . . . 4.00 1.80 4.00 parsed_1kwd 1
49 1 . . . . . 4.31 1.80 4.31 parsed_1kwd 1
50 1 . . . . . 3.95 1.80 3.95 parsed_1kwd 1
51 1 . . . . . 4.02 1.80 4.02 parsed_1kwd 1
52 1 . . . . . 3.69 1.80 3.69 parsed_1kwd 1
53 1 . . . . . 4.04 1.80 4.04 parsed_1kwd 1
54 1 . . . . . 4.46 1.80 4.46 parsed_1kwd 1
55 1 . . . . . 4.00 1.80 4.00 parsed_1kwd 1
56 1 . . . . . 3.51 1.80 3.51 parsed_1kwd 1
57 1 . . . . . 4.37 1.80 4.37 parsed_1kwd 1
58 1 . . . . . 3.52 1.80 3.52 parsed_1kwd 1
59 1 . . . . . 3.89 1.80 3.89 parsed_1kwd 1
60 1 . . . . . 3.88 1.80 3.88 parsed_1kwd 1
61 1 . . . . . 4.04 1.80 4.04 parsed_1kwd 1
62 1 . . . . . 4.32 1.80 4.32 parsed_1kwd 1
63 1 . . . . . 4.15 1.80 4.15 parsed_1kwd 1
64 1 . . . . . 3.98 1.80 3.98 parsed_1kwd 1
65 1 . . . . . 3.21 1.80 3.21 parsed_1kwd 1
66 1 . . . . . 3.24 1.80 3.24 parsed_1kwd 1
67 1 . . . . . 4.86 1.80 4.86 parsed_1kwd 1
68 1 . . . . . 4.22 1.80 4.22 parsed_1kwd 1
69 1 . . . . . 2.89 1.80 2.89 parsed_1kwd 1
70 1 . . . . . 2.74 1.80 2.74 parsed_1kwd 1
71 1 . . . . . 3.86 1.80 3.86 parsed_1kwd 1
72 1 . . . . . 4.23 1.80 4.23 parsed_1kwd 1
73 1 . . . . . 5.15 1.80 5.15 parsed_1kwd 1
74 1 . . . . . 4.15 1.80 4.15 parsed_1kwd 1
75 1 . . . . . 4.80 1.80 4.80 parsed_1kwd 1
76 1 . . . . . 2.69 1.80 2.69 parsed_1kwd 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
;
BIOSYM restraint 1
NOE_distance
;
1 1 2 13 parsed_1kwd 1
stop_
save_
save_Discover_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1kwd
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 180 . 1 1 PROn CA 1 1 PROn C 1 2 CYS N 1 2 CYS CA parsed_1kwd 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 180 . 1 2 CYS CA 1 2 CYS C 1 3 SER N 1 3 SER CA parsed_1kwd 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 180 . 1 3 SER CA 1 3 SER C 1 4 ILE N 1 4 ILE CA parsed_1kwd 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 180 . 1 4 ILE CA 1 4 ILE C 1 5 CYS N 1 5 CYS CA parsed_1kwd 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 180 . 1 5 CYS CA 1 5 CYS C 1 6 SER N 1 6 SER CA parsed_1kwd 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 180 . 1 6 SER CA 1 6 SER C 1 7 ASN N 1 7 ASN CA parsed_1kwd 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 180 . 1 7 ASN CA 1 7 ASN C 1 8 ASN N 1 8 ASN CA parsed_1kwd 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 180 . 1 8 ASN CA 1 8 ASN C 1 9 PRO N 1 9 PRO CA parsed_1kwd 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 180 . 1 9 PRO CA 1 9 PRO C 1 10 THR N 1 10 THR CA parsed_1kwd 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 180 . 1 10 THR CA 1 10 THR C 1 11 CYS N 1 11 CYS CA parsed_1kwd 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 180 . 1 11 CYS CA 1 11 CYS C 1 12 TRP N 1 12 TRP CA parsed_1kwd 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 180 . 1 12 TRP CA 1 12 TRP C 1 13 ALA N 1 13 ALA CA parsed_1kwd 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 180 . 1 13 ALA CA 1 13 ALA C 1 14 ILE N 1 14 ILE CA parsed_1kwd 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 180 . 1 14 ILE CA 1 14 ILE C 1 15 CYS N 1 15 CYS CA parsed_1kwd 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 180 . 1 15 CYS CA 1 15 CYS C 1 16 LY+C N 1 16 LY+C CA parsed_1kwd 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -50 . 1 2 CYS C 1 3 SER N 1 3 SER CA 1 3 SER C parsed_1kwd 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -50 . 1 3 SER C 1 4 ILE N 1 4 ILE CA 1 4 ILE C parsed_1kwd 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -50 . 1 10 THR C 1 11 CYS N 1 11 CYS CA 1 11 CYS C parsed_1kwd 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -50 . 1 11 CYS C 1 12 TRP N 1 12 TRP CA 1 12 TRP C parsed_1kwd 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -50 . 1 12 TRP C 1 13 ALA N 1 13 ALA CA 1 13 ALA C parsed_1kwd 1
stop_
save_
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