NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
640047 |
6ht4   |
30037 | cing | 2-parsed | STAR | entry | full | 114 |
data_6ht4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ht4
_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_6ht4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ht4
_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 6ht4 "Master copy" parsed_6ht4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ht4
_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 6ht4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ht4 1
1 6ht4.mr . . XPLOR/CNS 2 distance NOE simple 100 parsed_6ht4 1
1 6ht4.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 14 parsed_6ht4 1
1 6ht4.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ht4 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_6ht4
_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 UNKNOWN FUNCTION 03-OCT-18 6HT4
*TITLE NMR STRUCTURE OF NS5A-D2 (JFH1) PEPTIDE (304-323)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: NS5A;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HEPACIVIRUS C;
*SOURCE 3 ORGANISM_TAXID: 11103;
*SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
*SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008;
*SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET32A
*KEYWDS PW-TURN, UNKNOWN FUNCTION
*EXPDTA SOLUTION NMR
*NUMMDL 23
*AUTHOR M.DUJARDIN,F.X.CANTRELLE,G.LIPPENS,X.HANOULLE
*REVDAT 1 24-JUL-19 6HT4 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6ht4
_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_6ht4 1
2 1 . . . parsed_6ht4 1
3 1 . . . parsed_6ht4 1
4 1 . . . parsed_6ht4 1
5 1 . . . parsed_6ht4 1
6 1 . . . parsed_6ht4 1
7 1 . . . parsed_6ht4 1
8 1 . . . parsed_6ht4 1
9 1 . . . parsed_6ht4 1
10 1 . . . parsed_6ht4 1
11 1 . . . parsed_6ht4 1
12 1 . . . parsed_6ht4 1
13 1 . . . parsed_6ht4 1
14 1 . . . parsed_6ht4 1
15 1 . . . parsed_6ht4 1
16 1 . . . parsed_6ht4 1
17 1 . . . parsed_6ht4 1
18 1 . . . parsed_6ht4 1
19 1 . . . parsed_6ht4 1
20 1 . . . parsed_6ht4 1
21 1 . . . parsed_6ht4 1
22 1 . . . parsed_6ht4 1
23 1 . . . parsed_6ht4 1
24 1 . . . parsed_6ht4 1
25 1 . . . parsed_6ht4 1
26 1 . . . parsed_6ht4 1
27 1 . . . parsed_6ht4 1
28 1 . . . parsed_6ht4 1
29 1 . . . parsed_6ht4 1
30 1 . . . parsed_6ht4 1
31 1 . . . parsed_6ht4 1
32 1 . . . parsed_6ht4 1
33 1 . . . parsed_6ht4 1
34 1 . . . parsed_6ht4 1
35 1 . . . parsed_6ht4 1
36 1 . . . parsed_6ht4 1
37 1 . . . parsed_6ht4 1
38 1 . . . parsed_6ht4 1
39 1 . . . parsed_6ht4 1
40 1 . . . parsed_6ht4 1
41 1 . . . parsed_6ht4 1
42 1 . . . parsed_6ht4 1
43 1 . . . parsed_6ht4 1
44 1 . . . parsed_6ht4 1
45 1 . . . parsed_6ht4 1
46 1 . . . parsed_6ht4 1
47 1 . . . parsed_6ht4 1
48 1 . . . parsed_6ht4 1
49 1 . . . parsed_6ht4 1
50 1 . . . parsed_6ht4 1
51 1 . . . parsed_6ht4 1
52 1 . . . parsed_6ht4 1
53 1 . . . parsed_6ht4 1
54 1 . . . parsed_6ht4 1
55 1 . . . parsed_6ht4 1
56 1 . . . parsed_6ht4 1
57 1 . . . parsed_6ht4 1
58 1 . . . parsed_6ht4 1
59 1 . . . parsed_6ht4 1
60 1 . . . parsed_6ht4 1
61 1 . . . parsed_6ht4 1
62 1 . . . parsed_6ht4 1
63 1 . . . parsed_6ht4 1
64 1 . . . parsed_6ht4 1
65 1 . . . parsed_6ht4 1
66 1 . . . parsed_6ht4 1
67 1 . . . parsed_6ht4 1
68 1 . . . parsed_6ht4 1
69 1 . . . parsed_6ht4 1
70 1 . . . parsed_6ht4 1
71 1 . . . parsed_6ht4 1
72 1 . . . parsed_6ht4 1
73 1 . . . parsed_6ht4 1
74 1 . . . parsed_6ht4 1
75 1 . . . parsed_6ht4 1
76 1 . . . parsed_6ht4 1
77 1 . . . parsed_6ht4 1
78 1 . . . parsed_6ht4 1
79 1 . . . parsed_6ht4 1
80 1 . . . parsed_6ht4 1
81 1 . . . parsed_6ht4 1
82 1 . . . parsed_6ht4 1
83 1 . . . parsed_6ht4 1
84 1 . . . parsed_6ht4 1
85 1 . . . parsed_6ht4 1
86 1 . . . parsed_6ht4 1
87 1 . . . parsed_6ht4 1
88 1 . . . parsed_6ht4 1
89 1 . . . parsed_6ht4 1
90 1 . . . parsed_6ht4 1
91 1 . . . parsed_6ht4 1
92 1 . . . parsed_6ht4 1
93 1 . . . parsed_6ht4 1
94 1 . . . parsed_6ht4 1
95 1 . . . parsed_6ht4 1
96 1 . . . parsed_6ht4 1
97 1 . . . parsed_6ht4 1
98 1 . . . parsed_6ht4 1
99 1 . . . parsed_6ht4 1
100 1 . . . parsed_6ht4 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 . . . . . . . . . 305 . HN parsed_6ht4 1
1 1 2 . . . . . . . . . 306 . HD1 parsed_6ht4 1
2 1 1 . . . . . . . . . 305 . HA parsed_6ht4 1
2 1 2 . . . . . . . . . 306 . HD1 parsed_6ht4 1
3 1 1 . . . . . . . . . 305 . HA parsed_6ht4 1
3 1 2 . . . . . . . . . 306 . HD2 parsed_6ht4 1
4 1 1 . . . . . . . . . 306 . HA parsed_6ht4 1
4 1 2 . . . . . . . . . 307 . HN parsed_6ht4 1
5 1 1 . . . . . . . . . 307 . HA parsed_6ht4 1
5 1 2 . . . . . . . . . 307 . HN parsed_6ht4 1
6 1 1 . . . . . . . . . 307 . HB1 parsed_6ht4 1
6 1 2 . . . . . . . . . 307 . HN parsed_6ht4 1
7 1 1 . . . . . . . . . 307 . HB2 parsed_6ht4 1
7 1 2 . . . . . . . . . 307 . HN parsed_6ht4 1
8 1 1 . . . . . . . . . 307 . HA parsed_6ht4 1
8 1 2 . . . . . . . . . 308 . HN parsed_6ht4 1
9 1 1 . . . . . . . . . 308 . HA parsed_6ht4 1
9 1 2 . . . . . . . . . 308 . HN parsed_6ht4 1
10 1 1 . . . . . . . . . 308 . HB parsed_6ht4 1
10 1 2 . . . . . . . . . 308 . HN parsed_6ht4 1
11 1 1 . . . . . . . . . 308 . HA parsed_6ht4 1
11 1 2 . . . . . . . . . 309 . HN parsed_6ht4 1
12 1 1 . . . . . . . . . 308 . HB# parsed_6ht4 1
12 1 2 . . . . . . . . . 309 . HN parsed_6ht4 1
13 1 1 . . . . . . . . . 309 . HN parsed_6ht4 1
13 1 2 . . . . . . . . . 310 . HD2 parsed_6ht4 1
14 1 1 . . . . . . . . . 309 . HN parsed_6ht4 1
14 1 2 . . . . . . . . . 310 . HD1 parsed_6ht4 1
15 1 1 . . . . . . . . . 309 . HA parsed_6ht4 1
15 1 2 . . . . . . . . . 310 . HD1 parsed_6ht4 1
16 1 1 . . . . . . . . . 309 . HA parsed_6ht4 1
16 1 2 . . . . . . . . . 310 . HD2 parsed_6ht4 1
17 1 1 . . . . . . . . . 309 . HA parsed_6ht4 1
17 1 2 . . . . . . . . . 310 . HG# parsed_6ht4 1
18 1 1 . . . . . . . . . 310 . HA parsed_6ht4 1
18 1 2 . . . . . . . . . 311 . HN parsed_6ht4 1
19 1 1 . . . . . . . . . 310 . HB1 parsed_6ht4 1
19 1 2 . . . . . . . . . 311 . HN parsed_6ht4 1
20 1 1 . . . . . . . . . 310 . HB2 parsed_6ht4 1
20 1 2 . . . . . . . . . 311 . HN parsed_6ht4 1
21 1 1 . . . . . . . . . 310 . HA parsed_6ht4 1
21 1 2 . . . . . . . . . 312 . HN parsed_6ht4 1
22 1 1 . . . . . . . . . 310 . HB1 parsed_6ht4 1
22 1 2 . . . . . . . . . 312 . HN parsed_6ht4 1
23 1 1 . . . . . . . . . 310 . HB2 parsed_6ht4 1
23 1 2 . . . . . . . . . 312 . HN parsed_6ht4 1
24 1 1 . . . . . . . . . 310 . HB2 parsed_6ht4 1
24 1 2 . . . . . . . . . 312 . HD1 parsed_6ht4 1
25 1 1 . . . . . . . . . 310 . HD1 parsed_6ht4 1
25 1 2 . . . . . . . . . 313 . HB# parsed_6ht4 1
26 1 1 . . . . . . . . . 310 . HD2 parsed_6ht4 1
26 1 2 . . . . . . . . . 313 . HB# parsed_6ht4 1
27 1 1 . . . . . . . . . 310 . HB1 parsed_6ht4 1
27 1 2 . . . . . . . . . 312 . HE1 parsed_6ht4 1
28 1 1 . . . . . . . . . 310 . HB2 parsed_6ht4 1
28 1 2 . . . . . . . . . 312 . HE1 parsed_6ht4 1
29 1 1 . . . . . . . . . 311 . HA parsed_6ht4 1
29 1 2 . . . . . . . . . 312 . HN parsed_6ht4 1
30 1 1 . . . . . . . . . 311 . HN parsed_6ht4 1
30 1 2 . . . . . . . . . 312 . HB# parsed_6ht4 1
31 1 1 . . . . . . . . . 311 . HN parsed_6ht4 1
31 1 2 . . . . . . . . . 313 . HB# parsed_6ht4 1
32 1 1 . . . . . . . . . 311 . HA parsed_6ht4 1
32 1 2 . . . . . . . . . 313 . HN parsed_6ht4 1
33 1 1 . . . . . . . . . 311 . HA parsed_6ht4 1
33 1 2 . . . . . . . . . 314 . HN parsed_6ht4 1
34 1 1 . . . . . . . . . 311 . HB# parsed_6ht4 1
34 1 2 . . . . . . . . . 313 . HN parsed_6ht4 1
35 1 1 . . . . . . . . . 311 . HB# parsed_6ht4 1
35 1 2 . . . . . . . . . 314 . HN parsed_6ht4 1
36 1 1 . . . . . . . . . 312 . HA parsed_6ht4 1
36 1 2 . . . . . . . . . 313 . HN parsed_6ht4 1
37 1 1 . . . . . . . . . 312 . HB1 parsed_6ht4 1
37 1 2 . . . . . . . . . 313 . HN parsed_6ht4 1
38 1 1 . . . . . . . . . 312 . HB2 parsed_6ht4 1
38 1 2 . . . . . . . . . 313 . HN parsed_6ht4 1
39 1 1 . . . . . . . . . 312 . HH2 parsed_6ht4 1
39 1 2 . . . . . . . . . 313 . HA parsed_6ht4 1
40 1 1 . . . . . . . . . 312 . HH2 parsed_6ht4 1
40 1 2 . . . . . . . . . 313 . HB# parsed_6ht4 1
41 1 1 . . . . . . . . . 312 . HE3 parsed_6ht4 1
41 1 2 . . . . . . . . . 313 . HA parsed_6ht4 1
42 1 1 . . . . . . . . . 312 . HE3 parsed_6ht4 1
42 1 2 . . . . . . . . . 313 . HB# parsed_6ht4 1
43 1 1 . . . . . . . . . 312 . HA parsed_6ht4 1
43 1 2 . . . . . . . . . 317 . HE* parsed_6ht4 1
44 1 1 . . . . . . . . . 312 . HA parsed_6ht4 1
44 1 2 . . . . . . . . . 317 . HD* parsed_6ht4 1
45 1 1 . . . . . . . . . 312 . HB1 parsed_6ht4 1
45 1 2 . . . . . . . . . 317 . HE* parsed_6ht4 1
46 1 1 . . . . . . . . . 312 . HB1 parsed_6ht4 1
46 1 2 . . . . . . . . . 317 . HD* parsed_6ht4 1
47 1 1 . . . . . . . . . 312 . HB2 parsed_6ht4 1
47 1 2 . . . . . . . . . 317 . HE* parsed_6ht4 1
48 1 1 . . . . . . . . . 312 . HB2 parsed_6ht4 1
48 1 2 . . . . . . . . . 317 . HD* parsed_6ht4 1
49 1 1 . . . . . . . . . 313 . HN parsed_6ht4 1
49 1 2 . . . . . . . . . 314 . HN parsed_6ht4 1
50 1 1 . . . . . . . . . 313 . HA parsed_6ht4 1
50 1 2 . . . . . . . . . 314 . HN parsed_6ht4 1
51 1 1 . . . . . . . . . 313 . HB# parsed_6ht4 1
51 1 2 . . . . . . . . . 314 . HN parsed_6ht4 1
52 1 1 . . . . . . . . . 314 . HN parsed_6ht4 1
52 1 2 . . . . . . . . . 315 . HD2 parsed_6ht4 1
53 1 1 . . . . . . . . . 314 . HN parsed_6ht4 1
53 1 2 . . . . . . . . . 315 . HD1 parsed_6ht4 1
54 1 1 . . . . . . . . . 314 . HA parsed_6ht4 1
54 1 2 . . . . . . . . . 315 . HD1 parsed_6ht4 1
55 1 1 . . . . . . . . . 314 . HA parsed_6ht4 1
55 1 2 . . . . . . . . . 315 . HD2 parsed_6ht4 1
56 1 1 . . . . . . . . . 315 . HA parsed_6ht4 1
56 1 2 . . . . . . . . . 316 . HN parsed_6ht4 1
57 1 1 . . . . . . . . . 315 . HB1 parsed_6ht4 1
57 1 2 . . . . . . . . . 316 . HN parsed_6ht4 1
58 1 1 . . . . . . . . . 315 . HB2 parsed_6ht4 1
58 1 2 . . . . . . . . . 316 . HN parsed_6ht4 1
59 1 1 . . . . . . . . . 315 . HG# parsed_6ht4 1
59 1 2 . . . . . . . . . 316 . HN parsed_6ht4 1
60 1 1 . . . . . . . . . 315 . HD1 parsed_6ht4 1
60 1 2 . . . . . . . . . 316 . HN parsed_6ht4 1
61 1 1 . . . . . . . . . 315 . HD2 parsed_6ht4 1
61 1 2 . . . . . . . . . 316 . HN parsed_6ht4 1
62 1 1 . . . . . . . . . 316 . HN parsed_6ht4 1
62 1 2 . . . . . . . . . 317 . HN parsed_6ht4 1
63 1 1 . . . . . . . . . 316 . HA parsed_6ht4 1
63 1 2 . . . . . . . . . 317 . HN parsed_6ht4 1
64 1 1 . . . . . . . . . 316 . HB# parsed_6ht4 1
64 1 2 . . . . . . . . . 317 . HN parsed_6ht4 1
65 1 1 . . . . . . . . . 317 . HN parsed_6ht4 1
65 1 2 . . . . . . . . . 318 . HN parsed_6ht4 1
66 1 1 . . . . . . . . . 317 . HA parsed_6ht4 1
66 1 2 . . . . . . . . . 318 . HN parsed_6ht4 1
67 1 1 . . . . . . . . . 317 . HB1 parsed_6ht4 1
67 1 2 . . . . . . . . . 318 . HN parsed_6ht4 1
68 1 1 . . . . . . . . . 317 . HB2 parsed_6ht4 1
68 1 2 . . . . . . . . . 318 . HN parsed_6ht4 1
69 1 1 . . . . . . . . . 317 . HD* parsed_6ht4 1
69 1 2 . . . . . . . . . 318 . HN parsed_6ht4 1
70 1 1 . . . . . . . . . 317 . HD* parsed_6ht4 1
70 1 2 . . . . . . . . . 318 . HA parsed_6ht4 1
71 1 1 . . . . . . . . . 317 . HD* parsed_6ht4 1
71 1 2 . . . . . . . . . 318 . HB2 parsed_6ht4 1
72 1 1 . . . . . . . . . 317 . HD* parsed_6ht4 1
72 1 2 . . . . . . . . . 318 . HB1 parsed_6ht4 1
73 1 1 . . . . . . . . . 317 . HD* parsed_6ht4 1
73 1 2 . . . . . . . . . 319 . HD1 parsed_6ht4 1
74 1 1 . . . . . . . . . 317 . HD* parsed_6ht4 1
74 1 2 . . . . . . . . . 319 . HD2 parsed_6ht4 1
75 1 1 . . . . . . . . . 317 . HE* parsed_6ht4 1
75 1 2 . . . . . . . . . 320 . HD1 parsed_6ht4 1
76 1 1 . . . . . . . . . 317 . HE* parsed_6ht4 1
76 1 2 . . . . . . . . . 319 . HD1 parsed_6ht4 1
77 1 1 . . . . . . . . . 317 . HE* parsed_6ht4 1
77 1 2 . . . . . . . . . 319 . HD2 parsed_6ht4 1
78 1 1 . . . . . . . . . 317 . HD* parsed_6ht4 1
78 1 2 . . . . . . . . . 319 . HB2 parsed_6ht4 1
79 1 1 . . . . . . . . . 317 . HE* parsed_6ht4 1
79 1 2 . . . . . . . . . 319 . HB1 parsed_6ht4 1
80 1 1 . . . . . . . . . 317 . HE* parsed_6ht4 1
80 1 2 . . . . . . . . . 319 . HB2 parsed_6ht4 1
81 1 1 . . . . . . . . . 318 . HN parsed_6ht4 1
81 1 2 . . . . . . . . . 319 . HD1 parsed_6ht4 1
82 1 1 . . . . . . . . . 318 . HN parsed_6ht4 1
82 1 2 . . . . . . . . . 319 . HD2 parsed_6ht4 1
83 1 1 . . . . . . . . . 318 . HA parsed_6ht4 1
83 1 2 . . . . . . . . . 319 . HD1 parsed_6ht4 1
84 1 1 . . . . . . . . . 318 . HA parsed_6ht4 1
84 1 2 . . . . . . . . . 319 . HD2 parsed_6ht4 1
85 1 1 . . . . . . . . . 318 . HB1 parsed_6ht4 1
85 1 2 . . . . . . . . . 319 . HD1 parsed_6ht4 1
86 1 1 . . . . . . . . . 318 . HB1 parsed_6ht4 1
86 1 2 . . . . . . . . . 319 . HD2 parsed_6ht4 1
87 1 1 . . . . . . . . . 318 . HB2 parsed_6ht4 1
87 1 2 . . . . . . . . . 319 . HD2 parsed_6ht4 1
88 1 1 . . . . . . . . . 319 . HA parsed_6ht4 1
88 1 2 . . . . . . . . . 320 . HD1 parsed_6ht4 1
89 1 1 . . . . . . . . . 319 . HA parsed_6ht4 1
89 1 2 . . . . . . . . . 320 . HD2 parsed_6ht4 1
90 1 1 . . . . . . . . . 320 . HA parsed_6ht4 1
90 1 2 . . . . . . . . . 321 . HN parsed_6ht4 1
91 1 1 . . . . . . . . . 320 . HD1 parsed_6ht4 1
91 1 2 . . . . . . . . . 321 . HN parsed_6ht4 1
92 1 1 . . . . . . . . . 320 . HD2 parsed_6ht4 1
92 1 2 . . . . . . . . . 321 . HN parsed_6ht4 1
93 1 1 . . . . . . . . . 320 . HB2 parsed_6ht4 1
93 1 2 . . . . . . . . . 321 . HN parsed_6ht4 1
94 1 1 . . . . . . . . . 320 . HB1 parsed_6ht4 1
94 1 2 . . . . . . . . . 321 . HN parsed_6ht4 1
95 1 1 . . . . . . . . . 320 . HG# parsed_6ht4 1
95 1 2 . . . . . . . . . 321 . HN parsed_6ht4 1
96 1 1 . . . . . . . . . 321 . HA parsed_6ht4 1
96 1 2 . . . . . . . . . 322 . HN parsed_6ht4 1
97 1 1 . . . . . . . . . 322 . HN parsed_6ht4 1
97 1 2 . . . . . . . . . 323 . HN parsed_6ht4 1
98 1 1 . . . . . . . . . 322 . HA parsed_6ht4 1
98 1 2 . . . . . . . . . 323 . HN parsed_6ht4 1
99 1 1 . . . . . . . . . 322 . HB parsed_6ht4 1
99 1 2 . . . . . . . . . 323 . HN parsed_6ht4 1
100 1 1 . . . . . . . . . 322 . HG# parsed_6ht4 1
100 1 2 . . . . . . . . . 323 . HN parsed_6ht4 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 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
2 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
3 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
4 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
5 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
6 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
7 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
8 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
9 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
10 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
11 1 . . . . . 5.0 1.8 6.5 parsed_6ht4 1
12 1 . . . . . 5.0 1.8 6.5 parsed_6ht4 1
13 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
14 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
15 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
16 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
17 1 . . . . . 5.0 1.8 6.5 parsed_6ht4 1
18 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
19 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
20 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
21 1 . . . . . 3.9 1.8 4.3 parsed_6ht4 1
22 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
23 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
24 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
25 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
26 1 . . . . . 3.9 1.8 4.3 parsed_6ht4 1
27 1 . . . . . 3.9 1.8 4.3 parsed_6ht4 1
28 1 . . . . . 3.9 1.8 4.3 parsed_6ht4 1
29 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
30 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
31 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
32 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
33 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
34 1 . . . . . 5.0 1.8 8.5 parsed_6ht4 1
35 1 . . . . . 5.0 1.8 8.5 parsed_6ht4 1
36 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
37 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
38 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
39 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
40 1 . . . . . 2.8 1.8 4.1 parsed_6ht4 1
41 1 . . . . . 3.9 1.8 4.3 parsed_6ht4 1
42 1 . . . . . 2.8 1.8 4.1 parsed_6ht4 1
43 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
44 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
45 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
46 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
47 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
48 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
49 1 . . . . . 3.9 1.8 4.3 parsed_6ht4 1
50 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
51 1 . . . . . 3.9 1.8 5.3 parsed_6ht4 1
52 1 . . . . . 3.9 1.8 4.3 parsed_6ht4 1
53 1 . . . . . 3.9 1.8 4.3 parsed_6ht4 1
54 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
55 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
56 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
57 1 . . . . . 3.9 1.8 4.3 parsed_6ht4 1
58 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
59 1 . . . . . 3.9 1.8 5.3 parsed_6ht4 1
60 1 . . . . . 3.9 1.8 4.3 parsed_6ht4 1
61 1 . . . . . 3.9 1.8 4.3 parsed_6ht4 1
62 1 . . . . . 3.9 1.8 4.3 parsed_6ht4 1
63 1 . . . . . 3.9 1.8 5.3 parsed_6ht4 1
64 1 . . . . . 3.9 1.8 5.3 parsed_6ht4 1
65 1 . . . . . 3.9 1.8 4.3 parsed_6ht4 1
66 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
67 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
68 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
69 1 . . . . . 5.0 1.8 7.5 parsed_6ht4 1
70 1 . . . . . 5.0 1.8 7.5 parsed_6ht4 1
71 1 . . . . . 5.0 1.8 7.5 parsed_6ht4 1
72 1 . . . . . 5.0 1.8 7.5 parsed_6ht4 1
73 1 . . . . . 5.0 1.8 7.5 parsed_6ht4 1
74 1 . . . . . 5.0 1.8 7.5 parsed_6ht4 1
75 1 . . . . . 5.0 1.8 7.5 parsed_6ht4 1
76 1 . . . . . 5.0 1.8 7.5 parsed_6ht4 1
77 1 . . . . . 5.0 1.8 7.5 parsed_6ht4 1
78 1 . . . . . 5.0 1.8 7.5 parsed_6ht4 1
79 1 . . . . . 5.0 1.8 7.5 parsed_6ht4 1
80 1 . . . . . 5.0 1.8 7.5 parsed_6ht4 1
81 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
82 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
83 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
84 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
85 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
86 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
87 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
88 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
89 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
90 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
91 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
92 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
93 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
94 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
95 1 . . . . . 5.0 1.8 5.5 parsed_6ht4 1
96 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
97 1 . . . . . 3.9 1.8 4.3 parsed_6ht4 1
98 1 . . . . . 2.8 1.8 3.1 parsed_6ht4 1
99 1 . . . . . 3.9 1.8 5.3 parsed_6ht4 1
100 1 . . . . . 5.0 1.8 6.5 parsed_6ht4 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
;
============================================================================
> RESTRAINTS FROM ns5aWT308_noe_iniSeq.txt
> SEQUENCE
GFPRALPAWARPDYNPPLVE
> DISTANCE RESTRAINTS
class | [lower limit, upper limits[ | distance restraint
--------+-------------------------------+---------------------
weak | 1 , 3 | 5.0
medium | 4 , 5 | 3.9
strong | 6 , 9 | 2.8
> CORRECTION FACTOR FOR PSEUDO-ATOMS
-CH2 = +1.0 A (ex.: HB# in F)
-Haromatic = +2.0 A (ex.: HD* in Y)
-CH3# = +1.0 A (ex.: HG2# in I)
-CH3* = +2.4 A (ex.: HD* in L)
============================================================================
<========== G304 ==========>
<========== F305 ==========>
;
2 1 21 37 parsed_6ht4 1
2 "<========== P306 ==========>" 25 1 25 37 parsed_6ht4 1
3 "<========== R307 ==========>" 27 1 27 37 parsed_6ht4 1
4 "<========== A308 ==========>" 32 1 32 37 parsed_6ht4 1
5 "<========== L309 ==========>" 37 1 37 37 parsed_6ht4 1
6 "<========== P310 ==========>" 43 1 43 37 parsed_6ht4 1
7 "<========== A311 ==========>" 55 1 55 37 parsed_6ht4 1
8 "<========== W312 ==========>" 65 1 65 37 parsed_6ht4 1
9 "<========== A313 ==========>" 79 1 79 37 parsed_6ht4 1
10 "<========== R314 ==========>" 83 1 83 37 parsed_6ht4 1
11 "<========== P315 ==========>" 88 1 88 37 parsed_6ht4 1
12 "<========== D316 ==========>" 95 1 95 37 parsed_6ht4 1
13 "<========== Y317 ==========>" 99 1 99 37 parsed_6ht4 1
14 "<========== N15 ==========>" 117 1 117 36 parsed_6ht4 1
15 "<========== P319 ==========>" 125 1 125 37 parsed_6ht4 1
16 "<========== P320 ==========>" 128 1 128 37 parsed_6ht4 1
17 "<========== L321 ==========>" 135 1 135 37 parsed_6ht4 1
18 "<========== V322 ==========>" 137 1 137 37 parsed_6ht4 1
19 "<========== D323 ==========>" 142 1 142 37 parsed_6ht4 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 1: pepD2JFH1_final-160615.tbl" 1 1 1 47 parsed_6ht4 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6ht4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.8 -43.8 . . 309 . C . 310 . N . 310 . CA . 310 . C parsed_6ht4 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.2 163.2 . . 310 . N . 310 . CA . 310 . C . 311 . N parsed_6ht4 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.7 -40.5 . . 310 . C . 311 . N . 311 . CA . 311 . C parsed_6ht4 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.5 0.7 . . 311 . N . 311 . CA . 311 . C . 312 . N parsed_6ht4 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -80.0 . . 311 . C . 312 . N . 312 . CA . 312 . C parsed_6ht4 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17.3 39.1 . . 312 . N . 312 . CA . 312 . C . 313 . N parsed_6ht4 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -53.4 . . 313 . C . 314 . N . 314 . CA . 314 . C parsed_6ht4 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.7 160.7 . . 314 . N . 314 . CA . 314 . C . 315 . N parsed_6ht4 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.4 -68.4 . . 315 . C . 316 . N . 316 . CA . 316 . C parsed_6ht4 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.3 31.9 . . 316 . N . 316 . CA . 316 . C . 317 . N parsed_6ht4 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.5 -53.9 . . 317 . C . 318 . N . 318 . CA . 318 . C parsed_6ht4 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.7 155.7 . . 318 . N . 318 . CA . 318 . C . 319 . N parsed_6ht4 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.4 -49.4 . . 318 . C . 319 . N . 319 . CA . 319 . C parsed_6ht4 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.4 174.4 . . 319 . N . 319 . CA . 319 . C . 320 . N parsed_6ht4 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 2: pepD2JFH1-2015-sansHa.tbl" 1 1 1 46 parsed_6ht4 1
stop_
save_
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