Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
35098 | 1kyj RC | 5301 | cing | 2-parsed | STAR | entry | full | 110 |
data_1kyj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1kyj
_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_1kyj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1kyj
_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 1kyj "Master copy" parsed_1kyj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1kyj
_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 1kyj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1kyj 1
1 1kyj.mr . . XPLOR/CNS 2 distance NOE ambi 107 parsed_1kyj 1
1 1kyj.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 3 parsed_1kyj 1
1 1kyj.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1kyj 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_1kyj
_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 GLYCOPROTEIN, IMMUNE SYSTEM 04-FEB-02 1KYJ
*TITLE TUMOR ASSOCIATED MUCIN MOTIF FROM CD43 PROTEIN
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: LEUKOSIALIN (CD43) FRAGMENT;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: N-TERMINAL GLYCOPENTAPEPTIDE;
*COMPND 5 SYNONYM: PENTAPEPTIDE FRAGMENT OF SIALOPHORIN;
*COMPND 6 ENGINEERED: YES;
*COMPND 7 OTHER_DETAILS: SER A 1, THR A 2, THR A 3 MODIFIED WITH
*COMPND 8 GLYCOSYLATION BY STF ANTIGEN
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: FRAGMENT OF HUMAN SEQUENCE
*KEYWDS LEUKOSIALIN, CD43, MUCIN GLYCOPROTEIN
*EXPDTA NMR, 59 STRUCTURES
*AUTHOR D.M.COLTART, L.J.WILLIAMS, P.W.GLUNZ, D.SAMES, S.D.KUDUK,
*AUTHOR 2 J.B.SCHWARZ, X.-T.CHEN, A.K.ROYYURU, S.D.DANISHEFSKY,
*AUTHOR 3 D.H.LIVE
*REVDAT 1 20-FEB-02 1KYJ 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1kyj
_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_1kyj 1
2 1 . . . parsed_1kyj 1
3 1 . . . parsed_1kyj 1
4 1 . . . parsed_1kyj 1
5 1 . . . parsed_1kyj 1
6 1 . . . parsed_1kyj 1
7 1 . . . parsed_1kyj 1
8 1 . . . parsed_1kyj 1
9 1 . . . parsed_1kyj 1
10 1 . . . parsed_1kyj 1
11 1 . . . parsed_1kyj 1
12 1 . . . parsed_1kyj 1
13 1 . . . parsed_1kyj 1
14 1 . . . parsed_1kyj 1
15 1 . . . parsed_1kyj 1
16 1 . . . parsed_1kyj 1
17 1 . . . parsed_1kyj 1
18 1 . . . parsed_1kyj 1
19 1 . . . parsed_1kyj 1
20 1 . . . parsed_1kyj 1
21 1 . . . parsed_1kyj 1
22 1 . . . parsed_1kyj 1
23 1 . . . parsed_1kyj 1
24 1 . . . parsed_1kyj 1
25 1 . . . parsed_1kyj 1
26 1 . . . parsed_1kyj 1
27 1 . . . parsed_1kyj 1
28 1 . . . parsed_1kyj 1
29 1 . . . parsed_1kyj 1
30 1 . . . parsed_1kyj 1
31 1 . . . parsed_1kyj 1
32 1 . . . parsed_1kyj 1
33 1 . . . parsed_1kyj 1
34 1 . . . parsed_1kyj 1
35 1 . . . parsed_1kyj 1
36 1 . . . parsed_1kyj 1
37 1 . . . parsed_1kyj 1
38 1 . . . parsed_1kyj 1
39 1 . . . parsed_1kyj 1
40 1 . . . parsed_1kyj 1
41 1 . . . parsed_1kyj 1
42 1 . . . parsed_1kyj 1
43 1 . . . parsed_1kyj 1
44 1 . . . parsed_1kyj 1
45 1 . . . parsed_1kyj 1
46 1 . . . parsed_1kyj 1
47 1 . . . parsed_1kyj 1
48 1 . . . parsed_1kyj 1
49 1 . . . parsed_1kyj 1
50 1 . . . parsed_1kyj 1
51 1 . . . parsed_1kyj 1
52 1 . . . parsed_1kyj 1
53 1 . . . parsed_1kyj 1
54 1 . . . parsed_1kyj 1
55 1 . . . parsed_1kyj 1
56 1 . . . parsed_1kyj 1
57 1 . . . parsed_1kyj 1
58 1 . . . parsed_1kyj 1
59 1 . . . parsed_1kyj 1
60 1 . . . parsed_1kyj 1
61 1 . . . parsed_1kyj 1
62 1 . . . parsed_1kyj 1
63 1 . . . parsed_1kyj 1
64 1 . . . parsed_1kyj 1
65 1 . . . parsed_1kyj 1
66 1 . . . parsed_1kyj 1
67 1 . . . parsed_1kyj 1
68 1 . . . parsed_1kyj 1
69 1 . . . parsed_1kyj 1
70 1 . . . parsed_1kyj 1
71 1 . . . parsed_1kyj 1
72 1 . . . parsed_1kyj 1
73 1 . . . parsed_1kyj 1
74 1 . . . parsed_1kyj 1
75 1 . . . parsed_1kyj 1
76 1 . . . parsed_1kyj 1
77 1 . . . parsed_1kyj 1
78 1 . . . parsed_1kyj 1
79 1 . . . parsed_1kyj 1
80 1 . . . parsed_1kyj 1
81 1 . . . parsed_1kyj 1
82 1 . . . parsed_1kyj 1
83 1 . . . parsed_1kyj 1
84 1 . . . parsed_1kyj 1
85 1 . . . parsed_1kyj 1
86 1 . . . parsed_1kyj 1
87 1 . . . parsed_1kyj 1
88 1 . . . parsed_1kyj 1
89 1 . . . parsed_1kyj 1
90 1 . . . parsed_1kyj 1
91 1 . . . parsed_1kyj 1
92 1 . . . parsed_1kyj 1
93 1 . . . parsed_1kyj 1
94 1 . . . parsed_1kyj 1
95 1 . . . parsed_1kyj 1
96 1 . . . parsed_1kyj 1
97 1 . . . parsed_1kyj 1
98 1 . . . parsed_1kyj 1
99 1 . . . parsed_1kyj 1
100 1 . . . parsed_1kyj 1
101 1 . . . parsed_1kyj 1
102 1 . . . parsed_1kyj 1
103 1 . . . parsed_1kyj 1
104 1 . . . parsed_1kyj 1
105 1 . . . parsed_1kyj 1
106 1 . . . parsed_1kyj 1
107 1 . . . parsed_1kyj 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 . . . . . . . . . 3 THR HN parsed_1kyj 1
1 1 2 . . . . . . . . . 2 THR HN parsed_1kyj 1
2 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1
2 1 2 . . . . . . . . . 4 ALA HN parsed_1kyj 1
3 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1
3 1 2 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1
4 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1
4 1 2 . . . . . . . . . 2 THR HA parsed_1kyj 1
5 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1
5 1 2 . . . . . . . . . 2 THR HB parsed_1kyj 1
6 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1
6 1 2 . . . . . . . . . 10 T2G1 H1 parsed_1kyj 1
7 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1
7 1 2 . . . . . . . . . 3 THR HB parsed_1kyj 1
8 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1
8 1 2 . . . . . . . . . 3 THR HA parsed_1kyj 1
9 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1
9 1 2 . . . . . . . . . 2 THR HG2* parsed_1kyj 1
10 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1
10 1 2 . . . . . . . . . 3 THR HG2* parsed_1kyj 1
11 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1
11 1 2 . . . . . . . . . 13 T3G1 H2 parsed_1kyj 1
12 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1
12 1 2 . . . . . . . . . 13 T3G1 H8* parsed_1kyj 1
13 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1
13 1 2 . . . . . . . . . 10 . H3 parsed_1kyj 1
13 1 2 . . . . . . . . . 13 . H3 parsed_1kyj 1
14 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1
14 1 2 . . . . . . . . . 4 ALA HA parsed_1kyj 1
15 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1
15 1 2 . . . . . . . . . 13 T3G1 H4 parsed_1kyj 1
16 1 1 . . . . . . . . . 3 THR HA parsed_1kyj 1
16 1 2 . . . . . . . . . 3 THR HB parsed_1kyj 1
17 1 1 . . . . . . . . . 3 THR HA parsed_1kyj 1
17 1 2 . . . . . . . . . 3 THR HG2* parsed_1kyj 1
18 1 1 . . . . . . . . . 3 THR HG2* parsed_1kyj 1
18 1 2 . . . . . . . . . 13 T3G1 H1 parsed_1kyj 1
19 1 1 . . . . . . . . . 3 THR HG2* parsed_1kyj 1
19 1 2 . . . . . . . . . 13 T3G1 H3 parsed_1kyj 1
20 1 1 . . . . . . . . . 3 THR HG2* parsed_1kyj 1
20 1 2 . . . . . . . . . 13 T3G1 H4 parsed_1kyj 1
21 1 1 . . . . . . . . . 3 THR HG2* parsed_1kyj 1
21 1 2 . . . . . . . . . 7 S1G1 H8* parsed_1kyj 1
22 1 1 . . . . . . . . . 3 THR HA parsed_1kyj 1
22 1 2 . . . . . . . . . 7 S1G1 H8* parsed_1kyj 1
23 1 1 . . . . . . . . . 3 THR HB parsed_1kyj 1
23 1 2 . . . . . . . . . 7 S1G1 H8* parsed_1kyj 1
24 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1
24 1 2 . . . . . . . . . 1 SER HN parsed_1kyj 1
25 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1
25 1 2 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1
26 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1
26 1 2 . . . . . . . . . 1 SER HB1 parsed_1kyj 1
27 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1
27 1 2 . . . . . . . . . 1 SER HB2 parsed_1kyj 1
28 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1
28 1 2 . . . . . . . . . 2 THR HB parsed_1kyj 1
29 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1
29 1 2 . . . . . . . . . 2 THR HG2* parsed_1kyj 1
30 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1
30 1 2 . . . . . . . . . 10 . H3 parsed_1kyj 1
30 1 2 . . . . . . . . . 13 . H3 parsed_1kyj 1
31 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1
31 1 2 . . . . . . . . . 2 THR HA parsed_1kyj 1
32 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1
32 1 2 . . . . . . . . . 1 SER HA parsed_1kyj 1
33 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1
33 1 2 . . . . . . . . . 7 . H1 parsed_1kyj 1
33 1 2 . . . . . . . . . 10 . H1 parsed_1kyj 1
34 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1
34 1 2 . . . . . . . . . 10 T2G1 H4 parsed_1kyj 1
35 1 1 . . . . . . . . . 2 THR HG2* parsed_1kyj 1
35 1 2 . . . . . . . . . 10 T2G1 H4 parsed_1kyj 1
36 1 1 . . . . . . . . . 2 THR HG2* parsed_1kyj 1
36 1 2 . . . . . . . . . 10 T2G1 H3 parsed_1kyj 1
37 1 1 . . . . . . . . . 2 THR HA parsed_1kyj 1
37 1 2 . . . . . . . . . 2 THR HB parsed_1kyj 1
38 1 1 . . . . . . . . . 2 THR HB parsed_1kyj 1
38 1 2 . . . . . . . . . 10 T2G1 H1 parsed_1kyj 1
39 1 1 . . . . . . . . . 2 THR HG2* parsed_1kyj 1
39 1 2 . . . . . . . . . 2 THR HA parsed_1kyj 1
40 1 1 . . . . . . . . . 2 THR HB parsed_1kyj 1
40 1 2 . . . . . . . . . 3 THR HG2* parsed_1kyj 1
41 1 1 . . . . . . . . . 1 SER HN parsed_1kyj 1
41 1 2 . . . . . . . . . 1 SER HB1 parsed_1kyj 1
42 1 1 . . . . . . . . . 1 SER HN parsed_1kyj 1
42 1 2 . . . . . . . . . 1 SER HB2 parsed_1kyj 1
43 1 1 . . . . . . . . . 1 SER HN parsed_1kyj 1
43 1 2 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1
44 1 1 . . . . . . . . . 1 SER HN parsed_1kyj 1
44 1 2 . . . . . . . . . 1 SER H2* parsed_1kyj 1
45 1 1 . . . . . . . . . 1 SER HN parsed_1kyj 1
45 1 2 . . . . . . . . . 1 SER HA parsed_1kyj 1
46 1 1 . . . . . . . . . 1 SER HN parsed_1kyj 1
46 1 2 . . . . . . . . . 7 S1G1 H3 parsed_1kyj 1
47 1 1 . . . . . . . . . 1 SER HN parsed_1kyj 1
47 1 2 . . . . . . . . . 7 S1G1 H1 parsed_1kyj 1
48 1 1 . . . . . . . . . 1 SER HA parsed_1kyj 1
48 1 2 . . . . . . . . . 1 SER HB2 parsed_1kyj 1
49 1 1 . . . . . . . . . 1 SER HA parsed_1kyj 1
49 1 2 . . . . . . . . . 1 SER HB1 parsed_1kyj 1
50 1 1 . . . . . . . . . 7 S1G1 H1 parsed_1kyj 1
50 1 2 . . . . . . . . . 1 SER HB2 parsed_1kyj 1
51 1 1 . . . . . . . . . 7 S1G1 H1 parsed_1kyj 1
51 1 2 . . . . . . . . . 1 SER HB1 parsed_1kyj 1
52 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1
52 1 2 . . . . . . . . . 5 VAL HN parsed_1kyj 1
53 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1
53 1 2 . . . . . . . . . 10 T2G1 H1 parsed_1kyj 1
54 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1
54 1 2 . . . . . . . . . 3 THR HA parsed_1kyj 1
55 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1
55 1 2 . . . . . . . . . 4 ALA HA parsed_1kyj 1
56 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1
56 1 2 . . . . . . . . . 3 THR HB parsed_1kyj 1
57 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1
57 1 2 . . . . . . . . . 4 ALA HB* parsed_1kyj 1
58 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1
58 1 2 . . . . . . . . . 3 THR HG2* parsed_1kyj 1
59 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1
59 1 2 . . . . . . . . . 10 T2G1 H8* parsed_1kyj 1
60 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1
60 1 2 . . . . . . . . . 13 T3G1 H1 parsed_1kyj 1
61 1 1 . . . . . . . . . 4 ALA HB* parsed_1kyj 1
61 1 2 . . . . . . . . . 3 THR HA parsed_1kyj 1
62 1 1 . . . . . . . . . 4 ALA HB* parsed_1kyj 1
62 1 2 . . . . . . . . . 10 T2G1 H8* parsed_1kyj 1
63 1 1 . . . . . . . . . 4 ALA HA parsed_1kyj 1
63 1 2 . . . . . . . . . 13 T3G1 H8* parsed_1kyj 1
64 1 1 . . . . . . . . . 5 VAL HN parsed_1kyj 1
64 1 2 . . . . . . . . . 4 ALA HA parsed_1kyj 1
65 1 1 . . . . . . . . . 5 VAL HN parsed_1kyj 1
65 1 2 . . . . . . . . . 5 VAL HB parsed_1kyj 1
66 1 1 . . . . . . . . . 5 VAL HN parsed_1kyj 1
66 1 2 . . . . . . . . . 5 VAL HA parsed_1kyj 1
67 1 1 . . . . . . . . . 5 VAL HN parsed_1kyj 1
67 1 2 . . . . . . . . . 4 ALA HB* parsed_1kyj 1
68 1 1 . . . . . . . . . 5 VAL HN parsed_1kyj 1
68 1 2 . . . . . . . . . 5 VAL HG* parsed_1kyj 1
69 1 1 . . . . . . . . . 5 VAL HG* parsed_1kyj 1
69 1 2 . . . . . . . . . 4 ALA HA parsed_1kyj 1
70 1 1 . . . . . . . . . 5 VAL HG* parsed_1kyj 1
70 1 2 . . . . . . . . . 5 VAL HA parsed_1kyj 1
71 1 1 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1
71 1 2 . . . . . . . . . 7 S1G1 H1 parsed_1kyj 1
72 1 1 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1
72 1 2 . . . . . . . . . 7 S1G1 H2 parsed_1kyj 1
73 1 1 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1
73 1 2 . . . . . . . . . 7 S1G1 H3 parsed_1kyj 1
74 1 1 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1
74 1 2 . . . . . . . . . 7 S1G1 H8* parsed_1kyj 1
75 1 1 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1
75 1 2 . . . . . . . . . 1 SER HB* parsed_1kyj 1
76 1 1 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1
76 1 2 . . . . . . . . . 1 SER HA parsed_1kyj 1
77 1 1 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1
77 1 2 . . . . . . . . . 8 S1G3 H1 parsed_1kyj 1
78 1 1 . . . . . . . . . 7 S1G1 H3 parsed_1kyj 1
78 1 2 . . . . . . . . . 8 S1G3 H1 parsed_1kyj 1
79 1 1 . . . . . . . . . 7 S1G1 H1 parsed_1kyj 1
79 1 2 . . . . . . . . . 7 S1G1 H2 parsed_1kyj 1
80 1 1 . . . . . . . . . 7 S1G1 H2 parsed_1kyj 1
80 1 2 . . . . . . . . . 8 S1G3 H1 parsed_1kyj 1
81 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1
81 1 2 . . . . . . . . . 13 T3G1 H1 parsed_1kyj 1
82 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1
82 1 2 . . . . . . . . . 10 T2G1 H1 parsed_1kyj 1
83 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1
83 1 2 . . . . . . . . . 13 T3G1 H3 parsed_1kyj 1
84 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1
84 1 2 . . . . . . . . . 13 T3G1 H2 parsed_1kyj 1
85 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1
85 1 2 . . . . . . . . . 13 T3G1 H8* parsed_1kyj 1
86 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1
86 1 2 . . . . . . . . . 2 THR HG2* parsed_1kyj 1
87 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1
87 1 2 . . . . . . . . . 3 THR HB parsed_1kyj 1
88 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1
88 1 2 . . . . . . . . . 3 THR HG2* parsed_1kyj 1
89 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1
89 1 2 . . . . . . . . . 2 THR HB parsed_1kyj 1
90 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1
90 1 2 . . . . . . . . . 3 THR HA parsed_1kyj 1
91 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1
91 1 2 . . . . . . . . . 14 T3G3 H1 parsed_1kyj 1
92 1 1 . . . . . . . . . 13 T3G1 H3 parsed_1kyj 1
92 1 2 . . . . . . . . . 14 T3G3 H1 parsed_1kyj 1
93 1 1 . . . . . . . . . 13 T3G1 H2 parsed_1kyj 1
93 1 2 . . . . . . . . . 14 T3G3 H1 parsed_1kyj 1
94 1 1 . . . . . . . . . 13 T3G1 H1 parsed_1kyj 1
94 1 2 . . . . . . . . . 3 THR HB parsed_1kyj 1
95 1 1 . . . . . . . . . 13 T3G1 H2 parsed_1kyj 1
95 1 2 . . . . . . . . . 13 T3G1 H1 parsed_1kyj 1
96 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1
96 1 2 . . . . . . . . . 10 T2G1 H1 parsed_1kyj 1
97 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1
97 1 2 . . . . . . . . . 3 THR HA parsed_1kyj 1
98 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1
98 1 2 . . . . . . . . . 10 T2G1 H2 parsed_1kyj 1
99 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1
99 1 2 . . . . . . . . . 10 T2G1 H8* parsed_1kyj 1
100 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1
100 1 2 . . . . . . . . . 10 T2G1 H3 parsed_1kyj 1
101 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1
101 1 2 . . . . . . . . . 2 THR HG2* parsed_1kyj 1
102 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1
102 1 2 . . . . . . . . . 2 . HA parsed_1kyj 1
102 1 2 . . . . . . . . . 13 . H1 parsed_1kyj 1
103 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1
103 1 2 . . . . . . . . . 11 T2G3 H1 parsed_1kyj 1
104 1 1 . . . . . . . . . 10 T2G1 H2 parsed_1kyj 1
104 1 2 . . . . . . . . . 11 T2G3 H1 parsed_1kyj 1
105 1 1 . . . . . . . . . 10 T2G1 H3 parsed_1kyj 1
105 1 2 . . . . . . . . . 11 T2G3 H1 parsed_1kyj 1
106 1 1 . . . . . . . . . 10 T2G1 H1 parsed_1kyj 1
106 1 2 . . . . . . . . . 10 T2G1 H2 parsed_1kyj 1
107 1 1 . . . . . . . . . 10 T2G1 H1 parsed_1kyj 1
107 1 2 . . . . . . . . . 2 THR HG2* parsed_1kyj 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 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
2 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
3 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
4 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1
5 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1
6 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
7 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
8 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
9 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
10 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
11 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
12 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
13 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
14 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
15 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
16 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
17 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1
18 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
19 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
20 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
21 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
22 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
23 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
24 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
25 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
26 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
27 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
28 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
29 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
30 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
31 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
32 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1
33 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
34 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
35 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
36 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
37 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
38 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
39 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
40 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
41 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
42 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
43 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
44 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
45 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
46 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
47 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
48 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
49 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
50 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
51 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
52 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
53 1 . . . . . 3.65 1.80 5.50 parsed_1kyj 1
54 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1
55 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
56 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1
57 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
58 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
59 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
60 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
61 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
62 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
63 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
64 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1
65 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
66 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
67 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
68 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
69 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
70 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
71 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
72 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
73 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
74 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
75 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
76 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
77 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
78 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1
79 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
80 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
81 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
82 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
83 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
84 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
85 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
86 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
87 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
88 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
89 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
90 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
91 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
92 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1
93 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
94 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
95 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
96 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
97 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
98 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
99 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
100 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
101 1 . . . . . 3.65 1.80 5.50 parsed_1kyj 1
102 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
103 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
104 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1
105 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1
106 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1
107 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 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 scale NOE 75.0 end
W 3.40 1.60 1.60 ! W 5.0
M 2.90 1.10 1.10 ! M 4.0
S 2.40 0.60 0.60 ! S 3.0
THR 3
;
1 1 7 9 parsed_1kyj 1
2 W 10 59 10 62 parsed_1kyj 1
3 W 12 59 12 62 parsed_1kyj 1
4 M 14 59 14 62 parsed_1kyj 1
5 S 16 59 16 62 parsed_1kyj 1
6 S 18 59 18 62 parsed_1kyj 1
7 M 20 59 20 62 parsed_1kyj 1
8 M 22 59 22 62 parsed_1kyj 1
9 M 24 59 24 62 parsed_1kyj 1
10 M 26 59 26 62 parsed_1kyj 1
11 M 28 59 28 62 parsed_1kyj 1
12 W 30 59 30 62 parsed_1kyj 1
13 W 32 59 32 62 parsed_1kyj 1
14 W 34 59 34 62 parsed_1kyj 1
15 W 36 59 36 62 parsed_1kyj 1
16 W 38 59 38 62 parsed_1kyj 1
17 M 42 59 42 62 parsed_1kyj 1
18 S 44 59 44 67 parsed_1kyj 1
19 W 46 59 46 62 parsed_1kyj 1
20 W 48 59 48 62 parsed_1kyj 1
21 W 50 59 50 62 parsed_1kyj 1
22 M 52 59 52 62 parsed_1kyj 1
23 W 54 59 54 62 parsed_1kyj 1
24
;
W
THR 2
;
56 59 59 9 parsed_1kyj 1
25 W 62 59 62 62 parsed_1kyj 1
26 M 64 59 64 62 parsed_1kyj 1
27 M 66 59 66 62 parsed_1kyj 1
28 M 68 59 68 62 parsed_1kyj 1
29 W 70 59 70 62 parsed_1kyj 1
30 M 72 59 72 62 parsed_1kyj 1
31 W 74 59 74 62 parsed_1kyj 1
32 M 76 59 76 62 parsed_1kyj 1
33 S 78 59 78 62 parsed_1kyj 1
34 W 80 59 80 62 parsed_1kyj 1
35 W 82 59 82 62 parsed_1kyj 1
36 W 85 59 85 62 parsed_1kyj 1
37 W 87 59 87 63 parsed_1kyj 1
38 M 89 59 89 62 parsed_1kyj 1
39 M 91 59 91 62 parsed_1kyj 1
40 M 93 59 93 62 parsed_1kyj 1
41
;
W
SER 1
;
95 60 98 9 parsed_1kyj 1
42 M 101 59 101 62 parsed_1kyj 1
43 M 103 59 103 62 parsed_1kyj 1
44 W 105 59 105 62 parsed_1kyj 1
45 M 107 59 107 62 parsed_1kyj 1
46 M 109 59 109 62 parsed_1kyj 1
47 M 111 59 111 62 parsed_1kyj 1
48 W 113 59 113 62 parsed_1kyj 1
49 M 116 59 116 62 parsed_1kyj 1
50 M 118 59 118 62 parsed_1kyj 1
51 M 120 59 120 62 parsed_1kyj 1
52
;
M
ALA 4
;
122 59 125 9 parsed_1kyj 1
53 M 128 59 128 62 parsed_1kyj 1
54 W 130 59 130 63 parsed_1kyj 1
55 S 132 59 132 62 parsed_1kyj 1
56 M 134 59 134 62 parsed_1kyj 1
57 S 136 59 136 62 parsed_1kyj 1
58 M 138 59 138 62 parsed_1kyj 1
59 W 140 59 140 62 parsed_1kyj 1
60 M 142 59 142 62 parsed_1kyj 1
61 W 144 59 144 63 parsed_1kyj 1
62 W 147 59 147 62 parsed_1kyj 1
63 M 149 59 149 62 parsed_1kyj 1
64
;
W
VAL 5
;
151 59 154 9 parsed_1kyj 1
65 S 157 59 157 62 parsed_1kyj 1
66 M 159 59 159 62 parsed_1kyj 1
67 M 161 59 161 62 parsed_1kyj 1
68 M 163 59 163 62 parsed_1kyj 1
69 W 165 59 165 62 parsed_1kyj 1
70 W 169 59 169 62 parsed_1kyj 1
71
;
W
SER1 GalNAC
;
171 59 173 15 parsed_1kyj 1
72 M 176 59 176 62 parsed_1kyj 1
73 M 178 59 178 62 parsed_1kyj 1
74 M 180 59 180 62 parsed_1kyj 1
75 M 182 59 182 62 parsed_1kyj 1
76 W 184 59 184 62 parsed_1kyj 1
77 W 186 59 186 62 parsed_1kyj 1
78 M 188 59 188 62 parsed_1kyj 1
79 S 191 59 191 62 parsed_1kyj 1
80 M 193 59 193 62 parsed_1kyj 1
81
;
w
THR3 GalNAC
;
195 59 198 15 parsed_1kyj 1
82 M 201 59 201 62 parsed_1kyj 1
83 W 203 59 203 63 parsed_1kyj 1
84 M 205 59 205 62 parsed_1kyj 1
85 M 207 59 207 62 parsed_1kyj 1
86 M 209 59 209 62 parsed_1kyj 1
87 W 211 59 211 62 parsed_1kyj 1
88 W 213 59 213 62 parsed_1kyj 1
89 W 215 59 215 62 parsed_1kyj 1
90 W 217 59 217 62 parsed_1kyj 1
91 W 219 59 219 62 parsed_1kyj 1
92 M 221 59 221 62 parsed_1kyj 1
93 S 225 59 225 62 parsed_1kyj 1
94 W 227 59 227 67 parsed_1kyj 1
95 W 229 59 229 62 parsed_1kyj 1
96
;
M
THR2 GalNAC
;
231 59 234 15 parsed_1kyj 1
97 M 237 59 237 62 parsed_1kyj 1
98 W 239 59 239 62 parsed_1kyj 1
99 M 241 59 241 62 parsed_1kyj 1
100 M 243 59 243 62 parsed_1kyj 1
101 M 245 59 245 62 parsed_1kyj 1
102 W 247 59 247 63 parsed_1kyj 1
103 W 249 70 249 73 parsed_1kyj 1
104 M 251 59 251 62 parsed_1kyj 1
105 W 254 59 254 62 parsed_1kyj 1
106 S 256 59 256 62 parsed_1kyj 1
107 M 258 59 258 62 parsed_1kyj 1
108 M 260 59 260 62 parsed_1kyj 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1kyj
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 250.0 300.0 . . 2 . HA . 2 . CA . 2 . CB . 2 . HB parsed_1kyj 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 250.0 300.0 . . 3 . HA . 3 . CA . 3 . CB . 3 . HB parsed_1kyj 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 1 . N . 1 . CA . 1 . CB . 1 . OG parsed_1kyj 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
;
Dihedral Constraints
chi 1 angles for S1, T2 and T3
restraint dihedral scale=200 end
;
1 1 4 35 parsed_1kyj 1
stop_
save_