Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
43424 | 2ari RC | 6867 | cing | 2-parsed | STAR | entry | full | 164 |
data_2ari_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ari
_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_2ari 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ari
_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 2ari "Master copy" parsed_2ari
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ari
_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 2ari.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ari 1
1 2ari.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2ari 1
1 2ari.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2ari 1
1 2ari.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2ari 1
1 2ari.mr . . XPLOR/CNS 5 distance NOE simple 74 parsed_2ari 1
1 2ari.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_2ari 1
1 2ari.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 37 parsed_2ari 1
1 2ari.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_2ari 1
1 2ari.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 15 parsed_2ari 1
1 2ari.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_2ari 1
1 2ari.mr . . XPLOR/CNS 11 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2ari 1
1 2ari.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 38 parsed_2ari 1
1 2ari.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ari 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_2ari
_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 19-AUG-05 2ARI
*TITLE SOLUTION STRUCTURE OF MICELLE-BOUND FUSION DOMAIN OF HIV-1
*TITLE 2 GP41
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ENVELOPE POLYPROTEIN GP160;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: 30 N-TERMINAL RESIDUES, TRANSMEMBRANE
*COMPND 5 GLYCOPROTEIN (GP41);
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1;
*SOURCE 3 ORGANISM_COMMON: VIRUS;
*SOURCE 4 GENE: ENV;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_COMMON: BACTERIA;
*SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28A(+)
*KEYWDS HIV, GP41, FUSION, PEPTIDE, DOMAIN, MEMBRANE, PROTEIN,
*KEYWDS 2 MICELLE, VIRUS
*EXPDTA NMR, 30 STRUCTURES
*AUTHOR C.P.JARONIEC, J.D.KAUFMAN, S.J.STAHL, M.VIARD, R.BLUMENTHAL,
*AUTHOR 2 P.T.WINGFIELD, A.BAX
*REVDAT 1 20-DEC-05 2ARI 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2ari
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
constraints/0040755007103600000630000000000010301410267013136 5ustar jaroniecsmmspconstraints/J_hnha.tbl0100644007103600000630000000421210301410145015017 0ustar jaroniecsmmsp! Table containing 3JHNHA values
!
;
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ari
_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_
_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
;
assign (resid 2 and name c ) (resid 3 and name n )
(resid 3 and name ca) (resid 3 and name c ) 7.5 0.7
! 5I
;
4 1 6 4 parsed_2ari 1
2
;
assign (resid 4 and name c ) (resid 5 and name n )
(resid 5 and name ca) (resid 5 and name c ) 4.3 0.7
! 7A
;
7 1 10 4 parsed_2ari 1
3
;
assign (resid 6 and name c ) (resid 7 and name n )
(resid 7 and name ca) (resid 7 and name c ) 4.1 0.7
! 8L
;
11 1 14 4 parsed_2ari 1
4
;
assign (resid 7 and name c ) (resid 8 and name n )
(resid 8 and name ca) (resid 8 and name c ) 5.3 0.7
! 9F
;
15 1 18 4 parsed_2ari 1
5
;
assign (resid 8 and name c ) (resid 9 and name n )
(resid 9 and name ca) (resid 9 and name c ) 4.7 0.7
! 10L
;
19 1 22 5 parsed_2ari 1
6
;
assign (resid 9 and name c ) (resid 10 and name n )
(resid 10 and name ca) (resid 10 and name c ) 4.1 0.7
! 12F
;
23 1 26 5 parsed_2ari 1
7
;
assign (resid 11 and name c ) (resid 12 and name n )
(resid 12 and name ca) (resid 12 and name c ) 5.3 0.7
! 13L
;
27 1 30 5 parsed_2ari 1
8
;
assign (resid 12 and name c ) (resid 13 and name n )
(resid 13 and name ca) (resid 13 and name c ) 4.6 0.7
! 15A
;
31 1 34 5 parsed_2ari 1
9
;
assign (resid 14 and name c ) (resid 15 and name n )
(resid 15 and name ca) (resid 15 and name c ) 5.9 0.7
! 16A
;
35 1 38 5 parsed_2ari 1
10
;
assign (resid 15 and name c ) (resid 16 and name n )
(resid 16 and name ca) (resid 16 and name c ) 4.9 0.7
! 18S
;
39 1 42 5 parsed_2ari 1
11
;
assign (resid 17 and name c ) (resid 18 and name n )
(resid 18 and name ca) (resid 18 and name c ) 5.9 0.7
! 19T
;
43 1 46 5 parsed_2ari 1
12
;
assign (resid 18 and name c ) (resid 19 and name n )
(resid 19 and name ca) (resid 19 and name c ) 7.1 0.7
! 20M
;
47 1 50 5 parsed_2ari 1
13
;
assign (resid 19 and name c ) (resid 20 and name n )
(resid 20 and name ca) (resid 20 and name c ) 6.4 0.7
! 22A
;
51 1 54 5 parsed_2ari 1
14
;
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca) (resid 22 and name c ) 5.8 0.7
! 23A
;
55 1 58 5 parsed_2ari 1
15
;
assign (resid 22 and name c ) (resid 23 and name n )
(resid 23 and name ca) (resid 23 and name c ) 5.7 0.7
! 24S
;
59 1 61 5 parsed_2ari 1
16
;
assign (resid 23 and name c ) (resid 24 and name n )
(resid 24 and name ca) (resid 24 and name c ) 7.0 0.7
! 25M
;
62 1 65 5 parsed_2ari 1
stop_
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2ari
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "constraints/noe.tbl0100644007103600000630000001431610301407473014431 0ustar jaroniecsmmsp!set echo=false end"
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ari
_Distance_constraint_list.ID 1
_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_2ari 1
2 1 . . . parsed_2ari 1
3 1 . . . parsed_2ari 1
4 1 . . . parsed_2ari 1
5 1 . . . parsed_2ari 1
6 1 . . . parsed_2ari 1
7 1 . . . parsed_2ari 1
8 1 . . . parsed_2ari 1
9 1 . . . parsed_2ari 1
10 1 . . . parsed_2ari 1
11 1 . . . parsed_2ari 1
12 1 . . . parsed_2ari 1
13 1 . . . parsed_2ari 1
14 1 . . . parsed_2ari 1
15 1 . . . parsed_2ari 1
16 1 . . . parsed_2ari 1
17 1 . . . parsed_2ari 1
18 1 . . . parsed_2ari 1
19 1 . . . parsed_2ari 1
20 1 . . . parsed_2ari 1
21 1 . . . parsed_2ari 1
22 1 . . . parsed_2ari 1
23 1 . . . parsed_2ari 1
24 1 . . . parsed_2ari 1
25 1 . . . parsed_2ari 1
26 1 . . . parsed_2ari 1
27 1 . . . parsed_2ari 1
28 1 . . . parsed_2ari 1
29 1 . . . parsed_2ari 1
30 1 . . . parsed_2ari 1
31 1 . . . parsed_2ari 1
32 1 . . . parsed_2ari 1
33 1 . . . parsed_2ari 1
34 1 . . . parsed_2ari 1
35 1 . . . parsed_2ari 1
36 1 . . . parsed_2ari 1
37 1 . . . parsed_2ari 1
38 1 . . . parsed_2ari 1
39 1 . . . parsed_2ari 1
40 1 . . . parsed_2ari 1
41 1 . . . parsed_2ari 1
42 1 . . . parsed_2ari 1
43 1 . . . parsed_2ari 1
44 1 . . . parsed_2ari 1
45 1 . . . parsed_2ari 1
46 1 . . . parsed_2ari 1
47 1 . . . parsed_2ari 1
48 1 . . . parsed_2ari 1
49 1 . . . parsed_2ari 1
50 1 . . . parsed_2ari 1
51 1 . . . parsed_2ari 1
52 1 . . . parsed_2ari 1
53 1 . . . parsed_2ari 1
54 1 . . . parsed_2ari 1
55 1 . . . parsed_2ari 1
56 1 . . . parsed_2ari 1
57 1 . . . parsed_2ari 1
58 1 . . . parsed_2ari 1
59 1 . . . parsed_2ari 1
60 1 . . . parsed_2ari 1
61 1 . . . parsed_2ari 1
62 1 . . . parsed_2ari 1
63 1 . . . parsed_2ari 1
64 1 . . . parsed_2ari 1
65 1 . . . parsed_2ari 1
66 1 . . . parsed_2ari 1
67 1 . . . parsed_2ari 1
68 1 . . . parsed_2ari 1
69 1 . . . parsed_2ari 1
70 1 . . . parsed_2ari 1
71 1 . . . parsed_2ari 1
72 1 . . . parsed_2ari 1
73 1 . . . parsed_2ari 1
74 1 . . . parsed_2ari 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 . . . . . . . . . 2 . HA parsed_2ari 1
1 1 2 . . . . . . . . . 3 . HN parsed_2ari 1
2 1 1 . . . . . . . . . 3 . HA parsed_2ari 1
2 1 2 . . . . . . . . . 4 . HN parsed_2ari 1
3 1 1 . . . . . . . . . 4 . HA1 parsed_2ari 1
3 1 1 . . . . . . . . . 4 . HA2 parsed_2ari 1
3 1 2 . . . . . . . . . 5 . HN parsed_2ari 1
4 1 1 . . . . . . . . . 4 . HA1 parsed_2ari 1
4 1 1 . . . . . . . . . 4 . HA2 parsed_2ari 1
4 1 2 . . . . . . . . . 5 . HN parsed_2ari 1
5 1 1 . . . . . . . . . 5 . HA parsed_2ari 1
5 1 2 . . . . . . . . . 6 . HN parsed_2ari 1
6 1 1 . . . . . . . . . 6 . HA1 parsed_2ari 1
6 1 1 . . . . . . . . . 6 . HA2 parsed_2ari 1
6 1 2 . . . . . . . . . 7 . HN parsed_2ari 1
7 1 1 . . . . . . . . . 6 . HA1 parsed_2ari 1
7 1 1 . . . . . . . . . 6 . HA2 parsed_2ari 1
7 1 2 . . . . . . . . . 7 . HN parsed_2ari 1
8 1 1 . . . . . . . . . 7 . HA parsed_2ari 1
8 1 2 . . . . . . . . . 8 . HN parsed_2ari 1
9 1 1 . . . . . . . . . 8 . HA parsed_2ari 1
9 1 2 . . . . . . . . . 9 . HN parsed_2ari 1
10 1 1 . . . . . . . . . 9 . HA parsed_2ari 1
10 1 2 . . . . . . . . . 10 . HN parsed_2ari 1
11 1 1 . . . . . . . . . 10 . HA parsed_2ari 1
11 1 2 . . . . . . . . . 11 . HN parsed_2ari 1
12 1 1 . . . . . . . . . 11 . HA# parsed_2ari 1
12 1 2 . . . . . . . . . 12 . HN parsed_2ari 1
13 1 1 . . . . . . . . . 12 . HA parsed_2ari 1
13 1 2 . . . . . . . . . 13 . HN parsed_2ari 1
14 1 1 . . . . . . . . . 13 . HA parsed_2ari 1
14 1 2 . . . . . . . . . 14 . HN parsed_2ari 1
15 1 1 . . . . . . . . . 14 . HA# parsed_2ari 1
15 1 2 . . . . . . . . . 15 . HN parsed_2ari 1
16 1 1 . . . . . . . . . 15 . HA parsed_2ari 1
16 1 2 . . . . . . . . . 16 . HN parsed_2ari 1
17 1 1 . . . . . . . . . 16 . HA parsed_2ari 1
17 1 2 . . . . . . . . . 17 . HN parsed_2ari 1
18 1 1 . . . . . . . . . 17 . HA1 parsed_2ari 1
18 1 1 . . . . . . . . . 17 . HA2 parsed_2ari 1
18 1 2 . . . . . . . . . 18 . HN parsed_2ari 1
19 1 1 . . . . . . . . . 17 . HA1 parsed_2ari 1
19 1 1 . . . . . . . . . 17 . HA2 parsed_2ari 1
19 1 2 . . . . . . . . . 18 . HN parsed_2ari 1
20 1 1 . . . . . . . . . 18 . HA parsed_2ari 1
20 1 2 . . . . . . . . . 19 . HN parsed_2ari 1
21 1 1 . . . . . . . . . 19 . HA parsed_2ari 1
21 1 2 . . . . . . . . . 20 . HN parsed_2ari 1
22 1 1 . . . . . . . . . 20 . HA parsed_2ari 1
22 1 2 . . . . . . . . . 21 . HN parsed_2ari 1
23 1 1 . . . . . . . . . 21 . HA# parsed_2ari 1
23 1 2 . . . . . . . . . 22 . HN parsed_2ari 1
24 1 1 . . . . . . . . . 23 . HA parsed_2ari 1
24 1 2 . . . . . . . . . 24 . HN parsed_2ari 1
25 1 1 . . . . . . . . . 24 . HA parsed_2ari 1
25 1 2 . . . . . . . . . 25 . HN parsed_2ari 1
26 1 1 . . . . . . . . . 3 . HN parsed_2ari 1
26 1 2 . . . . . . . . . 4 . HN parsed_2ari 1
27 1 1 . . . . . . . . . 4 . HN parsed_2ari 1
27 1 2 . . . . . . . . . 5 . HN parsed_2ari 1
28 1 1 . . . . . . . . . 5 . HN parsed_2ari 1
28 1 2 . . . . . . . . . 6 . HN parsed_2ari 1
29 1 1 . . . . . . . . . 6 . HN parsed_2ari 1
29 1 2 . . . . . . . . . 7 . HN parsed_2ari 1
30 1 1 . . . . . . . . . 8 . HN parsed_2ari 1
30 1 2 . . . . . . . . . 9 . HN parsed_2ari 1
31 1 1 . . . . . . . . . 9 . HN parsed_2ari 1
31 1 2 . . . . . . . . . 10 . HN parsed_2ari 1
32 1 1 . . . . . . . . . 10 . HN parsed_2ari 1
32 1 2 . . . . . . . . . 11 . HN parsed_2ari 1
33 1 1 . . . . . . . . . 11 . HN parsed_2ari 1
33 1 2 . . . . . . . . . 12 . HN parsed_2ari 1
34 1 1 . . . . . . . . . 12 . HN parsed_2ari 1
34 1 2 . . . . . . . . . 13 . HN parsed_2ari 1
35 1 1 . . . . . . . . . 14 . HN parsed_2ari 1
35 1 2 . . . . . . . . . 15 . HN parsed_2ari 1
36 1 1 . . . . . . . . . 15 . HN parsed_2ari 1
36 1 2 . . . . . . . . . 16 . HN parsed_2ari 1
37 1 1 . . . . . . . . . 16 . HN parsed_2ari 1
37 1 2 . . . . . . . . . 17 . HN parsed_2ari 1
38 1 1 . . . . . . . . . 17 . HN parsed_2ari 1
38 1 2 . . . . . . . . . 18 . HN parsed_2ari 1
39 1 1 . . . . . . . . . 19 . HN parsed_2ari 1
39 1 2 . . . . . . . . . 20 . HN parsed_2ari 1
40 1 1 . . . . . . . . . 20 . HN parsed_2ari 1
40 1 2 . . . . . . . . . 21 . HN parsed_2ari 1
41 1 1 . . . . . . . . . 21 . HN parsed_2ari 1
41 1 2 . . . . . . . . . 22 . HN parsed_2ari 1
42 1 1 . . . . . . . . . 22 . HN parsed_2ari 1
42 1 2 . . . . . . . . . 23 . HN parsed_2ari 1
43 1 1 . . . . . . . . . 24 . HA parsed_2ari 1
43 1 2 . . . . . . . . . 25 . HN parsed_2ari 1
44 1 1 . . . . . . . . . 4 . HA1 parsed_2ari 1
44 1 1 . . . . . . . . . 4 . HA2 parsed_2ari 1
44 1 2 . . . . . . . . . 6 . HN parsed_2ari 1
45 1 1 . . . . . . . . . 16 . HA parsed_2ari 1
45 1 2 . . . . . . . . . 18 . HN parsed_2ari 1
46 1 1 . . . . . . . . . 17 . HA1 parsed_2ari 1
46 1 1 . . . . . . . . . 17 . HA2 parsed_2ari 1
46 1 2 . . . . . . . . . 19 . HN parsed_2ari 1
47 1 1 . . . . . . . . . 19 . HA parsed_2ari 1
47 1 2 . . . . . . . . . 21 . HN parsed_2ari 1
48 1 1 . . . . . . . . . 23 . HA parsed_2ari 1
48 1 2 . . . . . . . . . 25 . HN parsed_2ari 1
49 1 1 . . . . . . . . . 5 . HA parsed_2ari 1
49 1 2 . . . . . . . . . 8 . HN parsed_2ari 1
50 1 1 . . . . . . . . . 6 . HA1 parsed_2ari 1
50 1 1 . . . . . . . . . 6 . HA2 parsed_2ari 1
50 1 2 . . . . . . . . . 9 . HN parsed_2ari 1
51 1 1 . . . . . . . . . 7 . HA parsed_2ari 1
51 1 2 . . . . . . . . . 10 . HN parsed_2ari 1
52 1 1 . . . . . . . . . 8 . HA parsed_2ari 1
52 1 2 . . . . . . . . . 11 . HN parsed_2ari 1
53 1 1 . . . . . . . . . 9 . HA parsed_2ari 1
53 1 2 . . . . . . . . . 12 . HN parsed_2ari 1
54 1 1 . . . . . . . . . 10 . HA parsed_2ari 1
54 1 2 . . . . . . . . . 13 . HN parsed_2ari 1
55 1 1 . . . . . . . . . 12 . HA parsed_2ari 1
55 1 2 . . . . . . . . . 15 . HN parsed_2ari 1
56 1 1 . . . . . . . . . 13 . HA parsed_2ari 1
56 1 2 . . . . . . . . . 16 . HN parsed_2ari 1
57 1 1 . . . . . . . . . 15 . HA parsed_2ari 1
57 1 2 . . . . . . . . . 18 . HN parsed_2ari 1
58 1 1 . . . . . . . . . 16 . HA parsed_2ari 1
58 1 2 . . . . . . . . . 19 . HN parsed_2ari 1
59 1 1 . . . . . . . . . 20 . HA parsed_2ari 1
59 1 2 . . . . . . . . . 23 . HN parsed_2ari 1
60 1 1 . . . . . . . . . 5 . HN parsed_2ari 1
60 1 2 . . . . . . . . . 7 . HN parsed_2ari 1
61 1 1 . . . . . . . . . 6 . HN parsed_2ari 1
61 1 2 . . . . . . . . . 8 . HN parsed_2ari 1
62 1 1 . . . . . . . . . 2 . HB# parsed_2ari 1
62 1 2 . . . . . . . . . 3 . HN parsed_2ari 1
63 1 1 . . . . . . . . . 3 . HB parsed_2ari 1
63 1 2 . . . . . . . . . 4 . HN parsed_2ari 1
64 1 1 . . . . . . . . . 3 . HB parsed_2ari 1
64 1 2 . . . . . . . . . 4 . HN parsed_2ari 1
65 1 1 . . . . . . . . . 5 . HB parsed_2ari 1
65 1 2 . . . . . . . . . 6 . HN parsed_2ari 1
66 1 1 . . . . . . . . . 8 . HB# parsed_2ari 1
66 1 2 . . . . . . . . . 9 . HN parsed_2ari 1
67 1 1 . . . . . . . . . 9 . HB# parsed_2ari 1
67 1 2 . . . . . . . . . 10 . HN parsed_2ari 1
68 1 1 . . . . . . . . . 10 . HB# parsed_2ari 1
68 1 2 . . . . . . . . . 11 . HN parsed_2ari 1
69 1 1 . . . . . . . . . 12 . HB# parsed_2ari 1
69 1 2 . . . . . . . . . 13 . HN parsed_2ari 1
70 1 1 . . . . . . . . . 13 . HB# parsed_2ari 1
70 1 2 . . . . . . . . . 14 . HN parsed_2ari 1
71 1 1 . . . . . . . . . 16 . HB# parsed_2ari 1
71 1 2 . . . . . . . . . 17 . HN parsed_2ari 1
72 1 1 . . . . . . . . . 20 . HB# parsed_2ari 1
72 1 2 . . . . . . . . . 21 . HN parsed_2ari 1
73 1 1 . . . . . . . . . 23 . HB# parsed_2ari 1
73 1 2 . . . . . . . . . 24 . HN parsed_2ari 1
74 1 1 . . . . . . . . . 24 . HB# parsed_2ari 1
74 1 2 . . . . . . . . . 25 . HN parsed_2ari 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.24 1.90 2.58 parsed_2ari 1
2 1 . . . . . 2.04 1.73 2.35 parsed_2ari 1
3 1 . . . . . 2.74 2.33 3.15 parsed_2ari 1
4 1 . . . . . 2.52 2.14 2.90 parsed_2ari 1
5 1 . . . . . 4.0 1.8 5.0 parsed_2ari 1
6 1 . . . . . 3.08 2.62 3.54 parsed_2ari 1
7 1 . . . . . 2.69 2.29 3.09 parsed_2ari 1
8 1 . . . . . 4.0 1.8 5.0 parsed_2ari 1
9 1 . . . . . 3.15 2.68 3.62 parsed_2ari 1
10 1 . . . . . 3.61 3.07 4.15 parsed_2ari 1
11 1 . . . . . 3.05 2.59 3.51 parsed_2ari 1
12 1 . . . . . 3.1 2.6 3.6 parsed_2ari 1
13 1 . . . . . 3.70 3.14 4.26 parsed_2ari 1
14 1 . . . . . 4.0 1.8 5.0 parsed_2ari 1
15 1 . . . . . 2.74 2.33 3.15 parsed_2ari 1
16 1 . . . . . 3.08 2.62 3.54 parsed_2ari 1
17 1 . . . . . 3.00 2.55 3.45 parsed_2ari 1
18 1 . . . . . 2.98 2.53 3.43 parsed_2ari 1
19 1 . . . . . 4.0 1.8 5.0 parsed_2ari 1
20 1 . . . . . 2.80 2.38 3.22 parsed_2ari 1
21 1 . . . . . 4.0 1.8 5.0 parsed_2ari 1
22 1 . . . . . 2.64 2.24 3.04 parsed_2ari 1
23 1 . . . . . 2.95 2.51 3.39 parsed_2ari 1
24 1 . . . . . 2.44 2.07 2.81 parsed_2ari 1
25 1 . . . . . 2.67 2.27 3.07 parsed_2ari 1
26 1 . . . . . 2.84 2.40 3.28 parsed_2ari 1
27 1 . . . . . 2.79 2.37 3.21 parsed_2ari 1
28 1 . . . . . 2.67 2.27 3.07 parsed_2ari 1
29 1 . . . . . 2.45 2.08 2.82 parsed_2ari 1
30 1 . . . . . 2.60 2.21 2.99 parsed_2ari 1
31 1 . . . . . 2.77 2.35 3.19 parsed_2ari 1
32 1 . . . . . 2.74 2.33 3.15 parsed_2ari 1
33 1 . . . . . 2.78 2.36 3.20 parsed_2ari 1
34 1 . . . . . 2.71 2.30 3.12 parsed_2ari 1
35 1 . . . . . 2.70 2.30 3.10 parsed_2ari 1
36 1 . . . . . 2.46 2.09 2.83 parsed_2ari 1
37 1 . . . . . 2.74 2.33 3.15 parsed_2ari 1
38 1 . . . . . 2.70 2.30 3.10 parsed_2ari 1
39 1 . . . . . 2.52 2.14 2.90 parsed_2ari 1
40 1 . . . . . 2.38 2.02 2.74 parsed_2ari 1
41 1 . . . . . 2.68 2.28 3.08 parsed_2ari 1
42 1 . . . . . 2.44 2.07 2.81 parsed_2ari 1
43 1 . . . . . 2.35 2.00 2.70 parsed_2ari 1
44 1 . . . . . 3.57 3.03 4.11 parsed_2ari 1
45 1 . . . . . 3.83 3.26 4.40 parsed_2ari 1
46 1 . . . . . 3.18 2.70 3.66 parsed_2ari 1
47 1 . . . . . 3.86 3.28 4.44 parsed_2ari 1
48 1 . . . . . 3.69 3.14 4.24 parsed_2ari 1
49 1 . . . . . 2.93 2.49 3.37 parsed_2ari 1
50 1 . . . . . 3.64 3.09 4.19 parsed_2ari 1
51 1 . . . . . 3.07 2.61 3.53 parsed_2ari 1
52 1 . . . . . 3.15 2.68 3.62 parsed_2ari 1
53 1 . . . . . 3.26 2.77 3.75 parsed_2ari 1
54 1 . . . . . 3.39 2.88 3.90 parsed_2ari 1
55 1 . . . . . 3.53 3.00 4.06 parsed_2ari 1
56 1 . . . . . 3.31 2.81 3.81 parsed_2ari 1
57 1 . . . . . 3.44 2.92 3.96 parsed_2ari 1
58 1 . . . . . 3.59 3.05 4.13 parsed_2ari 1
59 1 . . . . . 3.86 3.28 4.44 parsed_2ari 1
60 1 . . . . . 3.55 3.02 4.08 parsed_2ari 1
61 1 . . . . . 3.59 3.05 4.13 parsed_2ari 1
62 1 . . . . . 2.71 2.30 3.12 parsed_2ari 1
63 1 . . . . . 3.08 2.62 3.54 parsed_2ari 1
64 1 . . . . . 3.08 2.62 3.54 parsed_2ari 1
65 1 . . . . . 2.95 2.51 3.39 parsed_2ari 1
66 1 . . . . . 3.00 2.55 3.45 parsed_2ari 1
67 1 . . . . . 2.58 2.19 2.97 parsed_2ari 1
68 1 . . . . . 3.19 2.71 3.67 parsed_2ari 1
69 1 . . . . . 2.74 2.33 3.15 parsed_2ari 1
70 1 . . . . . 3.28 2.79 3.77 parsed_2ari 1
71 1 . . . . . 2.62 2.23 3.01 parsed_2ari 1
72 1 . . . . . 3.22 2.74 3.70 parsed_2ari 1
73 1 . . . . . 2.65 2.25 3.05 parsed_2ari 1
74 1 . . . . . 3.36 2.86 3.86 parsed_2ari 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
;
set wrnlev=0 end
!!Short range NOEs
CaH(i)-NH(i+1)
;
1 1 3 16 parsed_2ari 1
2 NH(i)-NH(i+1) 35 1 35 15 parsed_2ari 1
3 CaH(i)-NH(i+2) 54 1 54 16 parsed_2ari 1
4 CaH(i)-NH(i+3) 62 1 62 17 parsed_2ari 1
5 NH(i)-NH(i+2) 75 1 75 15 parsed_2ari 1
6 CbH(i)-NH(i+1) 78 1 78 16 parsed_2ari 1
stop_
save_
save_MR_file_comment_6
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2ari
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 6
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "constraints/dihed_30.tbl0100755007103600000630000001246510301407717015236 0ustar jaroniecsmmsp!!"
save_
save_CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ari
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.0 -41.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_2ari 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2ari 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2ari 2
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -34.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2ari 2
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.0 -39.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2ari 2
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -33.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2ari 2
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.0 -38.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2ari 2
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -32.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2ari 2
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2ari 2
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2ari 2
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.0 -39.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2ari 2
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.0 -39.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2ari 2
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.0 -39.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2ari 2
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -36.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2ari 2
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -31.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2ari 2
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -55.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2ari 2
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -35.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2ari 2
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.0 -46.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2ari 2
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.0 -36.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2ari 2
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 22.0 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_2ari 2
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -9.0 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2ari 2
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2ari 2
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2ari 2
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -11.0 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_2ari 2
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -9.0 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_2ari 2
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -11.0 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_2ari 2
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -7.0 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_2ari 2
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -4.0 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2ari 2
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -6.0 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2ari 2
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.0 33.0 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2ari 2
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -3.0 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2ari 2
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -8.0 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2ari 2
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -14.0 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_2ari 2
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 41.0 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2ari 2
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 17.0 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2ari 2
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 35.0 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2ari 2
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 36.0 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2ari 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
;
! Phi restraints: minimum deviation = 30 degrees
! 5
;
1 1 3 11 parsed_2ari 2
2 "! 6" 6 3 6 11 parsed_2ari 2
3 "! 7" 9 3 9 11 parsed_2ari 2
4 "! 8" 12 3 12 11 parsed_2ari 2
5 "! 9" 15 3 15 10 parsed_2ari 2
6 "! 10" 18 3 18 11 parsed_2ari 2
7 "! 11" 21 3 21 12 parsed_2ari 2
8 "! 12" 24 3 24 11 parsed_2ari 2
9 "! 13" 27 3 27 12 parsed_2ari 2
10 "! 14" 30 3 30 11 parsed_2ari 2
11 "! 15" 33 3 33 11 parsed_2ari 2
12 "! 16" 36 3 36 12 parsed_2ari 2
13 "! 17" 39 3 39 12 parsed_2ari 2
14 "! 18" 42 3 42 11 parsed_2ari 2
15 "! 19" 45 3 45 12 parsed_2ari 2
16 "! 20" 48 3 48 12 parsed_2ari 2
17 "! 21" 51 2 51 10 parsed_2ari 2
18 "! 22" 54 2 54 11 parsed_2ari 2
19 "! 23" 57 3 57 12 parsed_2ari 2
20
;
!psi restraints
!5
;
61 1 62 4 parsed_2ari 2
21 !6 65 1 65 4 parsed_2ari 2
22 !7 68 1 68 4 parsed_2ari 2
23 !8 71 1 71 4 parsed_2ari 2
24
;
!9
assign (resid 9 and name n) (resid 9 and name ca)
(resid 9 and name c) (resid 10 and name n) 1.0 -43.0 30.0 2
!10
;
74 1 77 5 parsed_2ari 2
25 !11 80 1 80 5 parsed_2ari 2
26 !12 83 1 83 5 parsed_2ari 2
27 !13 86 1 86 5 parsed_2ari 2
28 !14 89 1 89 5 parsed_2ari 2
29 !15 92 1 92 5 parsed_2ari 2
30 !16 95 1 95 5 parsed_2ari 2
31 !17 98 1 98 6 parsed_2ari 2
32 !18 101 1 101 5 parsed_2ari 2
33 !19 104 1 104 5 parsed_2ari 2
34 !20 107 1 107 5 parsed_2ari 2
35 !21 110 1 110 5 parsed_2ari 2
36 !22 113 1 113 5 parsed_2ari 2
37 !23 116 1 116 5 parsed_2ari 2
stop_
save_
save_MR_file_comment_8
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2ari
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 8
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
constraints/dc_nco.tbl0100644007103600000630000000724510301410470015067 0ustar jaroniecsmmspassign ( resid 500 and name OO)
( resid 500 and name Z)
( resid 500 and name X)
( resid 500 and name Y)
( resid 4 and name C)
( resid 5 and name N) 7.2551 0.0000
;
save_
save_CNS/XPLOR_dipolar_coupling_9
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2ari
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 9
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . -0.9598 . . . . . 5 . C . 6 . N parsed_2ari 1
2 . . . . . . . . . . . . . . . . 23.6166 . . . . . 6 . C . 7 . N parsed_2ari 1
3 . . . . . . . . . . . . . . . . -18.9428 . . . . . 7 . C . 8 . N parsed_2ari 1
4 . . . . . . . . . . . . . . . . 3.2980 . . . . . 8 . C . 9 . N parsed_2ari 1
5 . . . . . . . . . . . . . . . . 16.8920 . . . . . 9 . C . 10 . N parsed_2ari 1
6 . . . . . . . . . . . . . . . . -0.2514 . . . . . 10 . C . 11 . N parsed_2ari 1
7 . . . . . . . . . . . . . . . . 7.1294 . . . . . 11 . C . 12 . N parsed_2ari 1
8 . . . . . . . . . . . . . . . . 3.5302 . . . . . 12 . C . 13 . N parsed_2ari 1
9 . . . . . . . . . . . . . . . . 27.1756 . . . . . 13 . C . 14 . N parsed_2ari 1
10 . . . . . . . . . . . . . . . . -4.4672 . . . . . 14 . C . 15 . N parsed_2ari 1
11 . . . . . . . . . . . . . . . . 1.7904 . . . . . 15 . C . 16 . N parsed_2ari 1
12 . . . . . . . . . . . . . . . . 12.4733 . . . . . 16 . C . 17 . N parsed_2ari 1
13 . . . . . . . . . . . . . . . . 15.0493 . . . . . 17 . C . 18 . N parsed_2ari 1
14 . . . . . . . . . . . . . . . . -2.1307 . . . . . 18 . C . 19 . N parsed_2ari 1
15 . . . . . . . . . . . . . . . . 4.2013 . . . . . 19 . C . 20 . N parsed_2ari 1
stop_
save_
save_MR_file_comment_10
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2ari
_Org_constr_file_comment.ID 6
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 10
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "constraints/J_hnha_gly.tbl0100644007103600000630000000143310301410032015667 0ustar jaroniecsmmsp!"
save_
save_CNS/XPLOR_dipolar_coupling_12
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2ari
_RDC_constraint_list.ID 2
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 12
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . -11.9367 . . . . . 6 . CA . 6 . C parsed_2ari 2
2 . . . . . . . . . . . . . . . . 8.8557 . . . . . 7 . CA . 7 . C parsed_2ari 2
3 . . . . . . . . . . . . . . . . 23.8301 . . . . . 8 . CA . 8 . C parsed_2ari 2
4 . . . . . . . . . . . . . . . . -23.8276 . . . . . 9 . CA . 9 . C parsed_2ari 2
5 . . . . . . . . . . . . . . . . -3.2775 . . . . . 10 . CA . 10 . C parsed_2ari 2
6 . . . . . . . . . . . . . . . . 26.9506 . . . . . 11 . CA . 11 . C parsed_2ari 2
7 . . . . . . . . . . . . . . . . 7.2992 . . . . . 12 . CA . 12 . C parsed_2ari 2
8 . . . . . . . . . . . . . . . . -32.0400 . . . . . 13 . CA . 13 . C parsed_2ari 2
9 . . . . . . . . . . . . . . . . -0.7423 . . . . . 14 . CA . 14 . C parsed_2ari 2
10 . . . . . . . . . . . . . . . . 22.4154 . . . . . 15 . CA . 15 . C parsed_2ari 2
11 . . . . . . . . . . . . . . . . -34.4574 . . . . . 16 . CA . 16 . C parsed_2ari 2
12 . . . . . . . . . . . . . . . . -18.8989 . . . . . 17 . CA . 17 . C parsed_2ari 2
13 . . . . . . . . . . . . . . . . 6.8196 . . . . . 18 . CA . 18 . C parsed_2ari 2
14 . . . . . . . . . . . . . . . . 13.9138 . . . . . 19 . CA . 19 . C parsed_2ari 2
15 . . . . . . . . . . . . . . . . -30.7872 . . . . . 20 . CA . 20 . C parsed_2ari 2
16 . . . . . . . . . . . . . . . . 5.1064 . . . . . 6 . N . 6 . HN parsed_2ari 2
17 . . . . . . . . . . . . . . . . -5.4054 . . . . . 7 . N . 7 . HN parsed_2ari 2
18 . . . . . . . . . . . . . . . . -17.9180 . . . . . 8 . N . 8 . HN parsed_2ari 2
19 . . . . . . . . . . . . . . . . -6.7678 . . . . . 9 . N . 9 . HN parsed_2ari 2
20 . . . . . . . . . . . . . . . . 0.4316 . . . . . 10 . N . 10 . HN parsed_2ari 2
21 . . . . . . . . . . . . . . . . -19.9696 . . . . . 11 . N . 11 . HN parsed_2ari 2
22 . . . . . . . . . . . . . . . . -22.7114 . . . . . 12 . N . 12 . HN parsed_2ari 2
23 . . . . . . . . . . . . . . . . -3.3305 . . . . . 13 . N . 13 . HN parsed_2ari 2
24 . . . . . . . . . . . . . . . . -7.3304 . . . . . 14 . N . 14 . HN parsed_2ari 2
25 . . . . . . . . . . . . . . . . -26.4697 . . . . . 15 . N . 15 . HN parsed_2ari 2
26 . . . . . . . . . . . . . . . . -17.1129 . . . . . 16 . N . 16 . HN parsed_2ari 2
27 . . . . . . . . . . . . . . . . -0.6769 . . . . . 17 . N . 17 . HN parsed_2ari 2
28 . . . . . . . . . . . . . . . . -19.1539 . . . . . 18 . N . 18 . HN parsed_2ari 2
29 . . . . . . . . . . . . . . . . -22.4584 . . . . . 19 . N . 19 . HN parsed_2ari 2
30 . . . . . . . . . . . . . . . . -6.0680 . . . . . 20 . N . 20 . HN parsed_2ari 2
31 . . . . . . . . . . . . . . . . 19.9238 . . . . . 7 . CB . 7 . CA parsed_2ari 2
32 . . . . . . . . . . . . . . . . 11.3474 . . . . . 9 . CB . 9 . CA parsed_2ari 2
33 . . . . . . . . . . . . . . . . -18.4142 . . . . . 12 . CB . 12 . CA parsed_2ari 2
34 . . . . . . . . . . . . . . . . -22.1351 . . . . . 15 . CB . 15 . CA parsed_2ari 2
35 . . . . . . . . . . . . . . . . -14.6992 . . . . . 16 . CB . 16 . CA parsed_2ari 2
36 . . . . . . . . . . . . . . . . 13.8748 . . . . . 18 . CB . 18 . CA parsed_2ari 2
37 . . . . . . . . . . . . . . . . -31.8671 . . . . . 19 . CB . 19 . CA parsed_2ari 2
38 . . . . . . . . . . . . . . . . -9.7518 . . . . . 20 . CB . 20 . CA parsed_2ari 2
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 20G 2 1 2 6 parsed_2ari 2
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1
;
constraints/dc_coca.tbl0100644007103600000630000000723710301410432015214 0ustar jaroniecsmmspassign ( resid 500 and name OO)
( resid 500 and name Z)
( resid 500 and name X)
( resid 500 and name Y)
( resid 5 and name CA)
( resid 5 and name C) -20.4489 0.0000
;
4 1 9 52 parsed_2ari 2
2
;
constraints/dc_nh.tbl0100644007103600000630000000723610301410520014711 0ustar jaroniecsmmspassign ( resid 500 and name OO)
( resid 500 and name Z)
( resid 500 and name X)
( resid 500 and name Y)
( resid 5 and name N)
( resid 5 and name HN) -14.6044 0.0000
;
115 1 120 52 parsed_2ari 2
3
;
constraints/dc_cacb.tbl0100644007103600000630000000407010301410353015171 0ustar jaroniecsmmspassign ( resid 500 and name OO)
( resid 500 and name Z)
( resid 500 and name X)
( resid 500 and name Y)
( resid 5 and name CB)
( resid 5 and name CA) -12.5239 0.0000
;
226 1 231 52 parsed_2ari 2
stop_
save_