NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
518960 |
2kmz   |
17237 | cing | 2-parsed | STAR | entry | full | 173 |
data_2kmz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kmz
_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_2kmz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kmz
_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 2kmz "Master copy" parsed_2kmz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kmz
_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 2kmz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kmz 1
1 2kmz.mr . . XPLOR/CNS 2 distance NOE simple 78 parsed_2kmz 1
1 2kmz.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_2kmz 1
1 2kmz.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2kmz 1
1 2kmz.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_2kmz 1
1 2kmz.mr . . XPLOR/CNS 6 distance NOE simple 1 parsed_2kmz 1
1 2kmz.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_2kmz 1
1 2kmz.mr . . XPLOR/CNS 8 distance NOE simple 28 parsed_2kmz 1
1 2kmz.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_2kmz 1
1 2kmz.mr . . XPLOR/CNS 10 distance NOE simple 2 parsed_2kmz 1
1 2kmz.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_2kmz 1
1 2kmz.mr . . XPLOR/CNS 12 distance NOE simple 19 parsed_2kmz 1
1 2kmz.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_2kmz 1
1 2kmz.mr . . XPLOR/CNS 14 distance NOE simple 45 parsed_2kmz 1
1 2kmz.mr . . "MR format" 15 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kmz 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_2kmz
_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 APOPTOSIS 10-AUG-09 2KMZ
*TITLE NMR STRUCTURE OF HFN14
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: TUMOR NECROSIS FACTOR RECEPTOR SUPERFAMILY MEMBER 12A;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: CRD, RESIDUES 28-80;
*COMPND 5 SYNONYM: FIBROBLAST GROWTH FACTOR-INDUCIBLE IMMEDIATE-EARLY RESPONSE
*COMPND 6 PROTEIN 14, FGF-INDUCIBLE 14, TWEAK-RECEPTOR, TWEAKR;
*COMPND 7 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 ORGANISM_TAXID: 9606;
*SOURCE 5 GENE: FN14, TNFRSF12A;
*SOURCE 6 EXPRESSION_SYSTEM: PICHIA PASTORIS;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 4922
*KEYWDS FN14, TWEAK, TNF RECEPTOR, CRD, TNFRSF12A, ANGIOGENESIS, APOPTOSIS,
*KEYWDS 2 CELL ADHESION, DEVELOPMENTAL PROTEIN, DIFFERENTIATION, DISULFIDE
*KEYWDS 3 BOND, MEMBRANE, RECEPTOR, TRANSMEMBRANE
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR M.PELLEGRINI, L.WILLEN, M.PERROUD, D.KRUSHINSKIE, K.STRAUCH,
*AUTHOR 2 H.CUERVO, Y.SUN, E.S.DAY, P.SCHNEIDER, T.S.ZHENG
*REVDAT 1 29-JUN-11 2KMZ 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kmz
_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_2kmz 1
2 1 . . . parsed_2kmz 1
3 1 . . . parsed_2kmz 1
4 1 . . . parsed_2kmz 1
5 1 . . . parsed_2kmz 1
6 1 . . . parsed_2kmz 1
7 1 . . . parsed_2kmz 1
8 1 . . . parsed_2kmz 1
9 1 . . . parsed_2kmz 1
10 1 . . . parsed_2kmz 1
11 1 . . . parsed_2kmz 1
12 1 . . . parsed_2kmz 1
13 1 . . . parsed_2kmz 1
14 1 . . . parsed_2kmz 1
15 1 . . . parsed_2kmz 1
16 1 . . . parsed_2kmz 1
17 1 . . . parsed_2kmz 1
18 1 . . . parsed_2kmz 1
19 1 . . . parsed_2kmz 1
20 1 . . . parsed_2kmz 1
21 1 . . . parsed_2kmz 1
22 1 . . . parsed_2kmz 1
23 1 . . . parsed_2kmz 1
24 1 . . . parsed_2kmz 1
25 1 . . . parsed_2kmz 1
26 1 . . . parsed_2kmz 1
27 1 . . . parsed_2kmz 1
28 1 . . . parsed_2kmz 1
29 1 . . . parsed_2kmz 1
30 1 . . . parsed_2kmz 1
31 1 . . . parsed_2kmz 1
32 1 . . . parsed_2kmz 1
33 1 . . . parsed_2kmz 1
34 1 . . . parsed_2kmz 1
35 1 . . . parsed_2kmz 1
36 1 . . . parsed_2kmz 1
37 1 . . . parsed_2kmz 1
38 1 . . . parsed_2kmz 1
39 1 . . . parsed_2kmz 1
40 1 . . . parsed_2kmz 1
41 1 . . . parsed_2kmz 1
42 1 . . . parsed_2kmz 1
43 1 . . . parsed_2kmz 1
44 1 . . . parsed_2kmz 1
45 1 . . . parsed_2kmz 1
46 1 . . . parsed_2kmz 1
47 1 . . . parsed_2kmz 1
48 1 . . . parsed_2kmz 1
49 1 . . . parsed_2kmz 1
50 1 . . . parsed_2kmz 1
51 1 . . . parsed_2kmz 1
52 1 . . . parsed_2kmz 1
53 1 . . . parsed_2kmz 1
54 1 . . . parsed_2kmz 1
55 1 . . . parsed_2kmz 1
56 1 . . . parsed_2kmz 1
57 1 . . . parsed_2kmz 1
58 1 . . . parsed_2kmz 1
59 1 . . . parsed_2kmz 1
60 1 . . . parsed_2kmz 1
61 1 . . . parsed_2kmz 1
62 1 . . . parsed_2kmz 1
63 1 . . . parsed_2kmz 1
64 1 . . . parsed_2kmz 1
65 1 . . . parsed_2kmz 1
66 1 . . . parsed_2kmz 1
67 1 . . . parsed_2kmz 1
68 1 . . . parsed_2kmz 1
69 1 . . . parsed_2kmz 1
70 1 . . . parsed_2kmz 1
71 1 . . . parsed_2kmz 1
72 1 . . . parsed_2kmz 1
73 1 . . . parsed_2kmz 1
74 1 . . . parsed_2kmz 1
75 1 . . . parsed_2kmz 1
76 1 . . . parsed_2kmz 1
77 1 . . . parsed_2kmz 1
78 1 . . . parsed_2kmz 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 . . . . . . . . . 6 . hn parsed_2kmz 1
1 1 2 . . . . . . . . . 6 . ha parsed_2kmz 1
2 1 1 . . . . . . . . . 7 . hn parsed_2kmz 1
2 1 2 . . . . . . . . . 6 . ha parsed_2kmz 1
3 1 1 . . . . . . . . . 7 . hn parsed_2kmz 1
3 1 2 . . . . . . . . . 6 . hb parsed_2kmz 1
4 1 1 . . . . . . . . . 7 . ha parsed_2kmz 1
4 1 2 . . . . . . . . . 6 . hg# parsed_2kmz 1
5 1 1 . . . . . . . . . 7 . hn parsed_2kmz 1
5 1 2 . . . . . . . . . 7 . hb# parsed_2kmz 1
6 1 1 . . . . . . . . . 7 . hn parsed_2kmz 1
6 1 2 . . . . . . . . . 7 . ha parsed_2kmz 1
7 1 1 . . . . . . . . . 9 . hn parsed_2kmz 1
7 1 2 . . . . . . . . . 7 . hb# parsed_2kmz 1
8 1 1 . . . . . . . . . 9 . hn parsed_2kmz 1
8 1 2 . . . . . . . . . 8 . ha parsed_2kmz 1
9 1 1 . . . . . . . . . 9 . hn parsed_2kmz 1
9 1 2 . . . . . . . . . 8 . hd# parsed_2kmz 1
10 1 1 . . . . . . . . . 9 . hn parsed_2kmz 1
10 1 2 . . . . . . . . . 9 . ha parsed_2kmz 1
11 1 1 . . . . . . . . . 9 . hn parsed_2kmz 1
11 1 2 . . . . . . . . . 9 . hb# parsed_2kmz 1
12 1 1 . . . . . . . . . 13 . hn parsed_2kmz 1
12 1 2 . . . . . . . . . 13 . hb# parsed_2kmz 1
13 1 1 . . . . . . . . . 13 . hn parsed_2kmz 1
13 1 2 . . . . . . . . . 13 . ha parsed_2kmz 1
14 1 1 . . . . . . . . . 13 . hb# parsed_2kmz 1
14 1 2 . . . . . . . . . 25 . hn parsed_2kmz 1
15 1 1 . . . . . . . . . 14 . hn parsed_2kmz 1
15 1 2 . . . . . . . . . 13 . ha parsed_2kmz 1
16 1 1 . . . . . . . . . 14 . hn parsed_2kmz 1
16 1 2 . . . . . . . . . 14 . hb# parsed_2kmz 1
17 1 1 . . . . . . . . . 14 . ha parsed_2kmz 1
17 1 2 . . . . . . . . . 14 . hn parsed_2kmz 1
18 1 1 . . . . . . . . . 14 . hn parsed_2kmz 1
18 1 2 . . . . . . . . . 23 . hn parsed_2kmz 1
19 1 1 . . . . . . . . . 14 . hb# parsed_2kmz 1
19 1 2 . . . . . . . . . 23 . hb# parsed_2kmz 1
20 1 1 . . . . . . . . . 15 . hn parsed_2kmz 1
20 1 2 . . . . . . . . . 14 . ha parsed_2kmz 1
21 1 1 . . . . . . . . . 15 . hn parsed_2kmz 1
21 1 2 . . . . . . . . . 15 . hb# parsed_2kmz 1
22 1 1 . . . . . . . . . 15 . hn parsed_2kmz 1
22 1 2 . . . . . . . . . 15 . ha parsed_2kmz 1
23 1 1 . . . . . . . . . 15 . hn parsed_2kmz 1
23 1 2 . . . . . . . . . 14 . hb# parsed_2kmz 1
24 1 1 . . . . . . . . . 16 . hn parsed_2kmz 1
24 1 2 . . . . . . . . . 15 . ha parsed_2kmz 1
25 1 1 . . . . . . . . . 16 . hn parsed_2kmz 1
25 1 2 . . . . . . . . . 15 . hz2 parsed_2kmz 1
26 1 1 . . . . . . . . . 16 . hn parsed_2kmz 1
26 1 2 . . . . . . . . . 15 . hb# parsed_2kmz 1
27 1 1 . . . . . . . . . 16 . hn parsed_2kmz 1
27 1 2 . . . . . . . . . 15 . hd1 parsed_2kmz 1
28 1 1 . . . . . . . . . 16 . hn parsed_2kmz 1
28 1 2 . . . . . . . . . 16 . ha parsed_2kmz 1
29 1 1 . . . . . . . . . 16 . hn parsed_2kmz 1
29 1 2 . . . . . . . . . 16 . hb# parsed_2kmz 1
30 1 1 . . . . . . . . . 16 . hn parsed_2kmz 1
30 1 2 . . . . . . . . . 17 . hn parsed_2kmz 1
31 1 1 . . . . . . . . . 16 . ha parsed_2kmz 1
31 1 2 . . . . . . . . . 18 . hn parsed_2kmz 1
32 1 1 . . . . . . . . . 16 . hb# parsed_2kmz 1
32 1 2 . . . . . . . . . 21 . hn parsed_2kmz 1
33 1 1 . . . . . . . . . 16 . hn parsed_2kmz 1
33 1 2 . . . . . . . . . 21 . hn parsed_2kmz 1
34 1 1 . . . . . . . . . 16 . hn parsed_2kmz 1
34 1 2 . . . . . . . . . 22 . ha parsed_2kmz 1
35 1 1 . . . . . . . . . 16 . hb# parsed_2kmz 1
35 1 2 . . . . . . . . . 36 . he# parsed_2kmz 1
36 1 1 . . . . . . . . . 16 . ha parsed_2kmz 1
36 1 2 . . . . . . . . . 36 . hb# parsed_2kmz 1
37 1 1 . . . . . . . . . 17 . hn parsed_2kmz 1
37 1 2 . . . . . . . . . 15 . hd1 parsed_2kmz 1
38 1 1 . . . . . . . . . 17 . hn parsed_2kmz 1
38 1 2 . . . . . . . . . 15 . he1 parsed_2kmz 1
39 1 1 . . . . . . . . . 17 . ha parsed_2kmz 1
39 1 2 . . . . . . . . . 15 . he1 parsed_2kmz 1
40 1 1 . . . . . . . . . 17 . hb# parsed_2kmz 1
40 1 2 . . . . . . . . . 15 . hd1 parsed_2kmz 1
41 1 1 . . . . . . . . . 17 . hb# parsed_2kmz 1
41 1 2 . . . . . . . . . 15 . he1 parsed_2kmz 1
42 1 1 . . . . . . . . . 17 . hn parsed_2kmz 1
42 1 2 . . . . . . . . . 16 . ha parsed_2kmz 1
43 1 1 . . . . . . . . . 17 . hn parsed_2kmz 1
43 1 2 . . . . . . . . . 16 . hb# parsed_2kmz 1
44 1 1 . . . . . . . . . 17 . hn parsed_2kmz 1
44 1 2 . . . . . . . . . 17 . hb# parsed_2kmz 1
45 1 1 . . . . . . . . . 17 . hn parsed_2kmz 1
45 1 2 . . . . . . . . . 17 . ha parsed_2kmz 1
46 1 1 . . . . . . . . . 17 . hb# parsed_2kmz 1
46 1 2 . . . . . . . . . 18 . hn parsed_2kmz 1
47 1 1 . . . . . . . . . 17 . hn parsed_2kmz 1
47 1 2 . . . . . . . . . 18 . hn parsed_2kmz 1
48 1 1 . . . . . . . . . 17 . ha parsed_2kmz 1
48 1 2 . . . . . . . . . 21 . hn parsed_2kmz 1
49 1 1 . . . . . . . . . 18 . hn parsed_2kmz 1
49 1 2 . . . . . . . . . 17 . hb# parsed_2kmz 1
50 1 1 . . . . . . . . . 18 . hn parsed_2kmz 1
50 1 2 . . . . . . . . . 18 . hb# parsed_2kmz 1
51 1 1 . . . . . . . . . 18 . hn parsed_2kmz 1
51 1 2 . . . . . . . . . 18 . ha parsed_2kmz 1
52 1 1 . . . . . . . . . 18 . ha parsed_2kmz 1
52 1 2 . . . . . . . . . 18 . hn parsed_2kmz 1
53 1 1 . . . . . . . . . 18 . hb# parsed_2kmz 1
53 1 2 . . . . . . . . . 18 . hn parsed_2kmz 1
54 1 1 . . . . . . . . . 18 . hn parsed_2kmz 1
54 1 2 . . . . . . . . . 19 . hn parsed_2kmz 1
55 1 1 . . . . . . . . . 19 . hn parsed_2kmz 1
55 1 2 . . . . . . . . . 16 . hb# parsed_2kmz 1
56 1 1 . . . . . . . . . 19 . hn parsed_2kmz 1
56 1 2 . . . . . . . . . 17 . hn parsed_2kmz 1
57 1 1 . . . . . . . . . 19 . hn parsed_2kmz 1
57 1 2 . . . . . . . . . 18 . hb# parsed_2kmz 1
58 1 1 . . . . . . . . . 19 . hn parsed_2kmz 1
58 1 2 . . . . . . . . . 19 . hb# parsed_2kmz 1
59 1 1 . . . . . . . . . 19 . hn parsed_2kmz 1
59 1 2 . . . . . . . . . 19 . ha parsed_2kmz 1
60 1 1 . . . . . . . . . 19 . hn parsed_2kmz 1
60 1 2 . . . . . . . . . 20 . hn parsed_2kmz 1
61 1 1 . . . . . . . . . 19 . hn parsed_2kmz 1
61 1 2 . . . . . . . . . 20 . ha parsed_2kmz 1
62 1 1 . . . . . . . . . 19 . hb# parsed_2kmz 1
62 1 2 . . . . . . . . . 21 . hn parsed_2kmz 1
63 1 1 . . . . . . . . . 20 . ha parsed_2kmz 1
63 1 2 . . . . . . . . . 15 . he3 parsed_2kmz 1
64 1 1 . . . . . . . . . 20 . hn parsed_2kmz 1
64 1 2 . . . . . . . . . 19 . ha parsed_2kmz 1
65 1 1 . . . . . . . . . 20 . hn parsed_2kmz 1
65 1 2 . . . . . . . . . 19 . hb# parsed_2kmz 1
66 1 1 . . . . . . . . . 20 . hn parsed_2kmz 1
66 1 2 . . . . . . . . . 20 . ha parsed_2kmz 1
67 1 1 . . . . . . . . . 20 . hn parsed_2kmz 1
67 1 2 . . . . . . . . . 20 . hb# parsed_2kmz 1
68 1 1 . . . . . . . . . 20 . hn parsed_2kmz 1
68 1 2 . . . . . . . . . 21 . hn parsed_2kmz 1
69 1 1 . . . . . . . . . 20 . ha parsed_2kmz 1
69 1 2 . . . . . . . . . 21 . hn parsed_2kmz 1
70 1 1 . . . . . . . . . 21 . hn parsed_2kmz 1
70 1 2 . . . . . . . . . 15 . he3 parsed_2kmz 1
71 1 1 . . . . . . . . . 21 . hn parsed_2kmz 1
71 1 2 . . . . . . . . . 15 . hz2 parsed_2kmz 1
72 1 1 . . . . . . . . . 21 . hn parsed_2kmz 1
72 1 2 . . . . . . . . . 16 . hb# parsed_2kmz 1
73 1 1 . . . . . . . . . 21 . hn parsed_2kmz 1
73 1 2 . . . . . . . . . 16 . hn parsed_2kmz 1
74 1 1 . . . . . . . . . 21 . hn parsed_2kmz 1
74 1 2 . . . . . . . . . 19 . hd1# parsed_2kmz 1
75 1 1 . . . . . . . . . 21 . hn parsed_2kmz 1
75 1 2 . . . . . . . . . 20 . ha parsed_2kmz 1
76 1 1 . . . . . . . . . 21 . hn parsed_2kmz 1
76 1 2 . . . . . . . . . 20 . hb# parsed_2kmz 1
77 1 1 . . . . . . . . . 21 . hn parsed_2kmz 1
77 1 2 . . . . . . . . . 21 . ha parsed_2kmz 1
78 1 1 . . . . . . . . . 21 . hn parsed_2kmz 1
78 1 2 . . . . . . . . . 21 . hb# parsed_2kmz 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 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
2 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
3 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
4 1 . . . . . 3 1.8 4.4 parsed_2kmz 1
5 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
6 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
7 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
8 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
9 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
10 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
11 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
12 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
13 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
14 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
15 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
16 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
17 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
18 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
19 1 . . . . . 3 1.8 6.0 parsed_2kmz 1
20 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
21 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
22 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
23 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
24 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
25 1 . . . . . 2.4 1.8 4.8 parsed_2kmz 1
26 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
27 1 . . . . . 3.5 1.8 5.2 parsed_2kmz 1
28 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
29 1 . . . . . 2.4 1.8 3.4 parsed_2kmz 1
30 1 . . . . . 3.5 1.8 5.0 parsed_2kmz 1
31 1 . . . . . 3 1.8 4.2 parsed_2kmz 1
32 1 . . . . . 3 1.8 4.2 parsed_2kmz 1
33 1 . . . . . 2.4 1.8 3.3 parsed_2kmz 1
34 1 . . . . . 3 1.8 3.2 parsed_2kmz 1
35 1 . . . . . 3 1.8 5.4 parsed_2kmz 1
36 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
37 1 . . . . . 3.5 1.8 5.2 parsed_2kmz 1
38 1 . . . . . 3.5 1.8 5.2 parsed_2kmz 1
39 1 . . . . . 2.4 1.8 4.8 parsed_2kmz 1
40 1 . . . . . 2.4 1.8 4.8 parsed_2kmz 1
41 1 . . . . . 2.4 1.8 4.8 parsed_2kmz 1
42 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
43 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
44 1 . . . . . 2.4 1.8 3.4 parsed_2kmz 1
45 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
46 1 . . . . . 2.4 1.8 3.4 parsed_2kmz 1
47 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
48 1 . . . . . 3.5 2.3 4.2 parsed_2kmz 1
49 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
50 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
51 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
52 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
53 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
54 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
55 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
56 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
57 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
58 1 . . . . . 2.4 1.8 3.8 parsed_2kmz 1
59 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
60 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
61 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
62 1 . . . . . 3 1.8 5.2 parsed_2kmz 1
63 1 . . . . . 2.4 1.8 5.0 parsed_2kmz 1
64 1 . . . . . 2.4 1.8 3.0 parsed_2kmz 1
65 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
66 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
67 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
68 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
69 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
70 1 . . . . . 3.5 1.8 4.4 parsed_2kmz 1
71 1 . . . . . 2.4 1.8 4.2 parsed_2kmz 1
72 1 . . . . . 3 1.8 4.2 parsed_2kmz 1
73 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
74 1 . . . . . 3 1.8 4.2 parsed_2kmz 1
75 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
76 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
77 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
78 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 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 Thr6 1 1 1 27 parsed_2kmz 1
2 Ala7 3 1 3 27 parsed_2kmz 1
3 Cys9 9 1 9 27 parsed_2kmz 1
4 Ser13 15 1 15 28 parsed_2kmz 1
5 Ser14 19 1 19 28 parsed_2kmz 1
6 "assign ( resid 14 and name hn) ( resid 22 and name ha) 3 1.2 0.4" 23 1 23 73 parsed_2kmz 1
7
;
Trp15
!assign ( resid 15 and name hn) ( resid 9 and name hb#) 3.5 1.7 0.7
;
26 1 27 76 parsed_2kmz 1
8
;
assign ( resid 15 and name hn) ( resid 15 and name hd1) 3.5 1.7 0.7
assign ( resid 15 and name hn) ( resid 15 and name hz2) 3.5 1.7 0.7
assign (resid 15 and name ha) (resid 15 and name hz2) 2.4 0.6 0.4
assign (resid 15 and name hb#) (resid 15 and name hn) 2.4 0.6 0.4
assign (resid 15 and name he3) (resid 15 and name hz3) 2.4 0.6 0.4
assign (resid 15 and name hz3) (resid 15 and name he3) 2.4 0.6 0.4
;
31 1 36 75 parsed_2kmz 1
9
;
!assign ( resid 15 and name hn) ( resid 16 and name hn) 3.5 1.7 1.5
Ser16
;
38 1 39 28 parsed_2kmz 1
10
;
assign (resid 16 and name ha) (resid 15 and name aro) 2.4 0.6 0.4 hd#}
!assign (resid 16 and name hb#) (resid 15 and name hd1) 2.4 0.6 1.4
;
44 1 45 76 parsed_2kmz 1
11 "assign (resid 16 and name ha) (resid 17 and name hb#) 3 1.2 0.4" 49 1 49 72 parsed_2kmz 1
12
;
assign (resid 16 and name ha) (resid 36 and name hn) 2.4 0.6 1.4 2d
assign (resid 16 and name hb#) (resid 36 and name hb#) 2.4 0.6 0.4 2d
Ala17
;
56 1 58 28 parsed_2kmz 1
13 "assign (resid 17 and name ha) (resid 15 and name he3) 3 1.2 3.4" 61 1 61 72 parsed_2kmz 1
14
;
assign ( resid 17 and name hn) ( resid 16 and name hb2) 3 1.2 0.4
assign ( resid 17 and name hn) ( resid 16 and name hn) 3.5 1.7 0.7
;
67 1 68 75 parsed_2kmz 1
15 "assign ( resid 17 and name hn) ( resid 36 and name hb#) 3.5 1.7 0.7" 73 1 73 76 parsed_2kmz 1
16 Asp18 75 1 75 28 parsed_2kmz 1
17 "assign ( resid 18 and name hn) ( resid 17 and name hn) 3 1.2 0.4" 77 1 77 73 parsed_2kmz 1
18
;
!assign ( resid 18 and name hn) ( resid 20 and name hn) 3.5 1.7 0.7
Leu19
assign ( resid 19 and name hn) ( resid 16 and name hb2) 2.4 0.6 0.4
;
83 1 85 76 parsed_2kmz 1
19 "assign ( resid 19 and name hn) ( resid 17 and name hb#) 3 1.2 1.4" 87 1 87 74 parsed_2kmz 1
20
;
assign ( resid 19 and name hn) ( resid 18 and name hn) 3 1.2 0.4
assign (resid 19 and name hn) (resid 18 and name hn) 2.4 0.6 0.4
;
90 1 91 73 parsed_2kmz 1
21
;
assign ( resid 19 and name hn) ( resid 19 and name hd1#) 3.5 1.7 0.7
assign ( resid 19 and name hn) ( resid 19 and name hd2#) 3.5 1.7 0.7
;
94 1 95 77 parsed_2kmz 1
22
;
Asp20
assign (resid 20 and name ha) (resid 15 and name he1) 3 1.2 1.2
assign (resid 20 and name ha) (resid 15 and name hd1) 2.4 0.6 2.6
;
99 1 101 74 parsed_2kmz 1
23
;
!assign ( resid 20 and name hn) ( resid 16 and name hb#) 3.5 1.7 0.7 b}
tmp assign ( resid 20 and name hn) ( resid 17 and name hb#) 3.5 1.7 0.7
assign ( resid 20 and name hn) ( resid 18 and name hn) 3.5 1.7 0.7
;
103 1 105 75 parsed_2kmz 1
24
;
assign ( resid 20 and name hn) ( resid 19 and name hb1) 2.4 0.6 0.4
assign ( resid 20 and name hn) ( resid 19 and name hn) 2.4 0.6 0.4
;
107 1 108 75 parsed_2kmz 1
25 "assign ( resid 20 and name hn) ( resid 20 and name hb2) 3 1.2 0.4" 111 1 111 74 parsed_2kmz 1
26
;
Lys21
assign ( resid 21 and name hn) ( resid 15 and name hd1) 3 1.2 1.2
;
115 1 116 74 parsed_2kmz 1
27
;
assign (resid 21 and name hn) (resid 15 and name he3) 3 1.2 2.2 2d
assign (resid 21 and name ha) (resid 15 and name aro) 2.4 0.6 1.4 hd#} 2d
assign (resid 21 and name hn) (resid 15 and name hd1) 2.4 0.6 1.8 hz3} 2d
;
118 1 120 80 parsed_2kmz 1
28 "assign ( resid 21 and name hn) ( resid 16 and name hb2) 3 1.2 0.4" 123 1 123 74 parsed_2kmz 1
29
;
assign (resid 21 and name hn) (resid 16 and name hn) 2.4 0.6 0.4
assign ( resid 21 and name hn) ( resid 17 and name hn) 3.5 1.7 0.7 n80}
;
125 1 126 79 parsed_2kmz 1
30 "assign ( resid 21 and name hn) ( resid 20 and name hn) 3 1.2 0.4" 129 1 129 73 parsed_2kmz 1
31
;
assign ( resid 21 and name hn) ( resid 20 and name hb2) 3.5 1.7 0.7
assign (resid 21 and name hn) (resid 20 and name hn) 2.4 0.6 0.4
;
131 1 132 73 parsed_2kmz 1
32 "assign ( resid 21 and name hn) ( resid 21 and name hb2) 3 1.2 0.4" 134 1 134 74 parsed_2kmz 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 2d 55 70 55 71 parsed_2kmz 1
2 2d 80 71 80 72 parsed_2kmz 1
3 2d 121 73 121 74 parsed_2kmz 1
stop_
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2kmz
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "assign ( resid 21 and name hn) ( resid 21 and name hg#) 3.5 1.7 0.7 hd2#} "
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2kmz
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "assign ( resid 28 and name hn) ( resid 29 and name hn) 3 1.2 0.4 s-s?} "
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kmz
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_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_2kmz 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 28 . ha parsed_2kmz 2
1 1 2 . . . . . . . . . 29 . hn parsed_2kmz 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
assign ( resid 28 and name hn) ( resid 36 and name he#) 3.5 1.7 0.7 aro (7H?)}
Arg29
;
2 1 3 28 parsed_2kmz 2
stop_
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2kmz
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 7
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "assign ( resid 29 and name hn) ( resid 27 and name ha) 3.5 1.7 0.7 helix?} "
save_
save_CNS/XPLOR_distance_constraints_8
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kmz
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 8
_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_2kmz 3
2 1 . . . parsed_2kmz 3
3 1 . . . parsed_2kmz 3
4 1 . . . parsed_2kmz 3
5 1 . . . parsed_2kmz 3
6 1 . . . parsed_2kmz 3
7 1 . . . parsed_2kmz 3
8 1 . . . parsed_2kmz 3
9 1 . . . parsed_2kmz 3
10 1 . . . parsed_2kmz 3
11 1 . . . parsed_2kmz 3
12 1 . . . parsed_2kmz 3
13 1 . . . parsed_2kmz 3
14 1 . . . parsed_2kmz 3
15 1 . . . parsed_2kmz 3
16 1 . . . parsed_2kmz 3
17 1 . . . parsed_2kmz 3
18 1 . . . parsed_2kmz 3
19 1 . . . parsed_2kmz 3
20 1 . . . parsed_2kmz 3
21 1 . . . parsed_2kmz 3
22 1 . . . parsed_2kmz 3
23 1 . . . parsed_2kmz 3
24 1 . . . parsed_2kmz 3
25 1 . . . parsed_2kmz 3
26 1 . . . parsed_2kmz 3
27 1 . . . parsed_2kmz 3
28 1 . . . parsed_2kmz 3
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 . . . . . . . . . 29 . hn parsed_2kmz 3
1 1 2 . . . . . . . . . 28 . hb# parsed_2kmz 3
2 1 1 . . . . . . . . . 29 . hn parsed_2kmz 3
2 1 2 . . . . . . . . . 29 . hb# parsed_2kmz 3
3 1 1 . . . . . . . . . 29 . hn parsed_2kmz 3
3 1 2 . . . . . . . . . 29 . ha parsed_2kmz 3
4 1 1 . . . . . . . . . 31 . hn parsed_2kmz 3
4 1 2 . . . . . . . . . 28 . ha parsed_2kmz 3
5 1 1 . . . . . . . . . 31 . hn parsed_2kmz 3
5 1 2 . . . . . . . . . 30 . hb# parsed_2kmz 3
6 1 1 . . . . . . . . . 31 . hn parsed_2kmz 3
6 1 2 . . . . . . . . . 30 . ha parsed_2kmz 3
7 1 1 . . . . . . . . . 31 . hn parsed_2kmz 3
7 1 2 . . . . . . . . . 31 . hb# parsed_2kmz 3
8 1 1 . . . . . . . . . 31 . hn parsed_2kmz 3
8 1 2 . . . . . . . . . 31 . ha parsed_2kmz 3
9 1 1 . . . . . . . . . 31 . hn parsed_2kmz 3
9 1 2 . . . . . . . . . 31 . hd# parsed_2kmz 3
10 1 1 . . . . . . . . . 33 . hn parsed_2kmz 3
10 1 2 . . . . . . . . . 32 . ha parsed_2kmz 3
11 1 1 . . . . . . . . . 33 . hn parsed_2kmz 3
11 1 2 . . . . . . . . . 32 . hb# parsed_2kmz 3
12 1 1 . . . . . . . . . 33 . hn parsed_2kmz 3
12 1 2 . . . . . . . . . 33 . ha parsed_2kmz 3
13 1 1 . . . . . . . . . 33 . hn parsed_2kmz 3
13 1 2 . . . . . . . . . 33 . hb# parsed_2kmz 3
14 1 1 . . . . . . . . . 33 . hn parsed_2kmz 3
14 1 2 . . . . . . . . . 34 . hn parsed_2kmz 3
15 1 1 . . . . . . . . . 33 . ha parsed_2kmz 3
15 1 2 . . . . . . . . . 34 . hn parsed_2kmz 3
16 1 1 . . . . . . . . . 34 . hn parsed_2kmz 3
16 1 2 . . . . . . . . . 32 . ha parsed_2kmz 3
17 1 1 . . . . . . . . . 34 . hn parsed_2kmz 3
17 1 2 . . . . . . . . . 33 . ha parsed_2kmz 3
18 1 1 . . . . . . . . . 34 . hn parsed_2kmz 3
18 1 2 . . . . . . . . . 33 . hn parsed_2kmz 3
19 1 1 . . . . . . . . . 34 . hn parsed_2kmz 3
19 1 2 . . . . . . . . . 34 . ha parsed_2kmz 3
20 1 1 . . . . . . . . . 34 . hn parsed_2kmz 3
20 1 2 . . . . . . . . . 34 . hb# parsed_2kmz 3
21 1 1 . . . . . . . . . 34 . ha parsed_2kmz 3
21 1 2 . . . . . . . . . 34 . hn parsed_2kmz 3
22 1 1 . . . . . . . . . 34 . hn parsed_2kmz 3
22 1 2 . . . . . . . . . 35 . hn parsed_2kmz 3
23 1 1 . . . . . . . . . 34 . hb# parsed_2kmz 3
23 1 2 . . . . . . . . . 35 . hn parsed_2kmz 3
24 1 1 . . . . . . . . . 34 . ha parsed_2kmz 3
24 1 2 . . . . . . . . . 35 . hn parsed_2kmz 3
25 1 1 . . . . . . . . . 34 . hb# parsed_2kmz 3
25 1 2 . . . . . . . . . 36 . hz parsed_2kmz 3
26 1 1 . . . . . . . . . 34 . hb# parsed_2kmz 3
26 1 2 . . . . . . . . . 36 . he# parsed_2kmz 3
27 1 1 . . . . . . . . . 34 . hb# parsed_2kmz 3
27 1 2 . . . . . . . . . 36 . hn parsed_2kmz 3
28 1 1 . . . . . . . . . 34 . hb# parsed_2kmz 3
28 1 2 . . . . . . . . . 37 . hn parsed_2kmz 3
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 . . . . . 3.5 1.8 4.2 parsed_2kmz 3
2 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 3
3 1 . . . . . 3 1.8 3.4 parsed_2kmz 3
4 1 . . . . . 3 1.8 3.4 parsed_2kmz 3
5 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 3
6 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 3
7 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 3
8 1 . . . . . 3 1.8 3.4 parsed_2kmz 3
9 1 . . . . . 3 1.8 3.4 parsed_2kmz 3
10 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 3
11 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 3
12 1 . . . . . 3 1.8 3.4 parsed_2kmz 3
13 1 . . . . . 3 1.8 3.4 parsed_2kmz 3
14 1 . . . . . 3 1.8 3.4 parsed_2kmz 3
15 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 3
16 1 . . . . . 2.4 1.8 4.2 parsed_2kmz 3
17 1 . . . . . 3 1.8 3.4 parsed_2kmz 3
18 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 3
19 1 . . . . . 3 1.8 3.4 parsed_2kmz 3
20 1 . . . . . 3 1.8 3.4 parsed_2kmz 3
21 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 3
22 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 3
23 1 . . . . . 3 1.8 3.4 parsed_2kmz 3
24 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 3
25 1 . . . . . 3 1.8 4.4 parsed_2kmz 3
26 1 . . . . . 2.4 1.8 3.8 parsed_2kmz 3
27 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 3
28 1 . . . . . 3 1.8 3.8 parsed_2kmz 3
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 "assign ( resid 29 and name hn) ( resid 28 and name hn) 3 1.2 0.4" 1 1 1 73 parsed_2kmz 3
2 "assign (resid 29 and name hn) (resid 28 and name hn) 2.4 0.6 0.4" 3 1 3 73 parsed_2kmz 3
3
;
assign ( resid 29 and name hn) ( resid 30 and name hb#) 3.5 1.7 0.7
Arg31
;
6 1 7 28 parsed_2kmz 3
4
;
assign ( resid 31 and name hn) ( resid 32 and name hd#) 3.5 1.7 0.7
assign (resid 31 and name ha) (resid 32 and name hd1) 2.4 0.6 0.4
assign (resid 31 and name ha) (resid 32 and name hd2) 2.4 0.6 0.4
Pro32
His33
;
14 1 18 28 parsed_2kmz 3
5
;
Ser34
assign ( resid 34 and name hn) ( resid 31 and name hb#) 3 1.2 0.4
;
25 1 26 74 parsed_2kmz 3
6 "assign ( resid 34 and name hn) ( resid 33 and name hn) 3 1.2 0.4" 29 1 29 73 parsed_2kmz 3
7 Asp35 41 1 41 28 parsed_2kmz 3
stop_
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2kmz
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 9
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "assign ( resid 35 and name hn) ( resid 34 and name ha) 3 1.2 0.4 n200} "
save_
save_CNS/XPLOR_distance_constraints_10
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kmz
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 10
_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_2kmz 4
2 1 . . . parsed_2kmz 4
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 . . . . . . . . . 35 . hn parsed_2kmz 4
1 1 2 . . . . . . . . . 35 . hb# parsed_2kmz 4
2 1 1 . . . . . . . . . 35 . ha parsed_2kmz 4
2 1 2 . . . . . . . . . 35 . hn parsed_2kmz 4
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 . . . . . 3.5 1.8 4.2 parsed_2kmz 4
2 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 4
stop_
save_
save_MR_file_comment_11
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2kmz
_Org_constr_file_comment.ID 6
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 11
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "assign ( resid 35 and name hn) ( resid 36 and name hn) 3.5 1.7 0.7 assign only}"
save_
save_CNS/XPLOR_distance_constraints_12
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kmz
_Distance_constraint_list.ID 5
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 12
_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_2kmz 5
2 1 . . . parsed_2kmz 5
3 1 . . . parsed_2kmz 5
4 1 . . . parsed_2kmz 5
5 1 . . . parsed_2kmz 5
6 1 . . . parsed_2kmz 5
7 1 . . . parsed_2kmz 5
8 1 . . . parsed_2kmz 5
9 1 . . . parsed_2kmz 5
10 1 . . . parsed_2kmz 5
11 1 . . . parsed_2kmz 5
12 1 . . . parsed_2kmz 5
13 1 . . . parsed_2kmz 5
14 1 . . . parsed_2kmz 5
15 1 . . . parsed_2kmz 5
16 1 . . . parsed_2kmz 5
17 1 . . . parsed_2kmz 5
18 1 . . . parsed_2kmz 5
19 1 . . . parsed_2kmz 5
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 . . . . . . . . . 36 . hn parsed_2kmz 5
1 1 2 . . . . . . . . . 16 . ha parsed_2kmz 5
2 1 1 . . . . . . . . . 36 . hn parsed_2kmz 5
2 1 2 . . . . . . . . . 16 . hb# parsed_2kmz 5
3 1 1 . . . . . . . . . 36 . hn parsed_2kmz 5
3 1 2 . . . . . . . . . 34 . hb# parsed_2kmz 5
4 1 1 . . . . . . . . . 36 . hn parsed_2kmz 5
4 1 2 . . . . . . . . . 35 . ha parsed_2kmz 5
5 1 1 . . . . . . . . . 36 . hn parsed_2kmz 5
5 1 2 . . . . . . . . . 35 . hn parsed_2kmz 5
6 1 1 . . . . . . . . . 36 . hn parsed_2kmz 5
6 1 2 . . . . . . . . . 36 . hd# parsed_2kmz 5
7 1 1 . . . . . . . . . 36 . hn parsed_2kmz 5
7 1 2 . . . . . . . . . 36 . ha parsed_2kmz 5
8 1 1 . . . . . . . . . 36 . hn parsed_2kmz 5
8 1 2 . . . . . . . . . 36 . hb# parsed_2kmz 5
9 1 1 . . . . . . . . . 37 . hn parsed_2kmz 5
9 1 2 . . . . . . . . . 36 . hn parsed_2kmz 5
10 1 1 . . . . . . . . . 37 . hn parsed_2kmz 5
10 1 2 . . . . . . . . . 36 . ha parsed_2kmz 5
11 1 1 . . . . . . . . . 37 . hn parsed_2kmz 5
11 1 2 . . . . . . . . . 36 . hb# parsed_2kmz 5
12 1 1 . . . . . . . . . 37 . hn parsed_2kmz 5
12 1 2 . . . . . . . . . 36 . hn parsed_2kmz 5
13 1 1 . . . . . . . . . 37 . hn parsed_2kmz 5
13 1 2 . . . . . . . . . 37 . hb# parsed_2kmz 5
14 1 1 . . . . . . . . . 37 . hn parsed_2kmz 5
14 1 2 . . . . . . . . . 37 . ha parsed_2kmz 5
15 1 1 . . . . . . . . . 37 . hn parsed_2kmz 5
15 1 2 . . . . . . . . . 38 . hn parsed_2kmz 5
16 1 1 . . . . . . . . . 37 . ha parsed_2kmz 5
16 1 2 . . . . . . . . . 40 . hb# parsed_2kmz 5
17 1 1 . . . . . . . . . 37 . ha parsed_2kmz 5
17 1 2 . . . . . . . . . 40 . hn parsed_2kmz 5
18 1 1 . . . . . . . . . 38 . hn parsed_2kmz 5
18 1 2 . . . . . . . . . 35 . ha parsed_2kmz 5
19 1 1 . . . . . . . . . 38 . hn parsed_2kmz 5
19 1 2 . . . . . . . . . 37 . hb# parsed_2kmz 5
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 . . . . . 2.4 1.8 3.4 parsed_2kmz 5
2 1 . . . . . 2.4 1.8 3.4 parsed_2kmz 5
3 1 . . . . . 3 1.8 3.4 parsed_2kmz 5
4 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 5
5 1 . . . . . 3 1.8 3.4 parsed_2kmz 5
6 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 5
7 1 . . . . . 3 1.8 3.4 parsed_2kmz 5
8 1 . . . . . 3 1.8 3.4 parsed_2kmz 5
9 1 . . . . . 3 1.8 3.4 parsed_2kmz 5
10 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 5
11 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 5
12 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 5
13 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 5
14 1 . . . . . 3 1.8 3.4 parsed_2kmz 5
15 1 . . . . . 3 1.8 3.4 parsed_2kmz 5
16 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 5
17 1 . . . . . 2.4 1.8 3.2 parsed_2kmz 5
18 1 . . . . . 3 1.8 3.4 parsed_2kmz 5
19 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 5
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 Phe36 1 1 1 28 parsed_2kmz 5
2 "assign (resid 36 and name he#) (resid 28 and name hn) 3 1.2 1.4" 4 1 4 72 parsed_2kmz 5
3 "assign ( resid 36 and name hn) ( resid 35 and name hn) 3.5 1.7 0.7" 7 1 7 75 parsed_2kmz 5
4
;
assign ( resid 36 and name hn) ( resid 37 and name hn) 3 1.2 0.4
assign (resid 36 and name ha) (resid 37 and name hn) 2.4 0.6 1
Cys37
;
12 1 14 28 parsed_2kmz 5
5 "assign ( resid 37 and name hn) ( resid 37 and name hb#) 3 1.2 0.4" 21 1 21 74 parsed_2kmz 5
6 "assign (resid 37 and name ha) (resid 40 and name hb2) 2.4 0.6 0.4" 24 1 24 74 parsed_2kmz 5
7 Leu38 26 1 26 28 parsed_2kmz 5
8
;
assign ( resid 38 and name hn) ( resid 36 and name ha) 3.5 1.7 0.7
assign (resid 38 and name hd1#) (resid 36 and name he#) 2.4 0.6 0.4
assign ( resid 38 and name hn) ( resid 37 and name hn) 3 1.2 0.4
;
28 1 30 73 parsed_2kmz 5
stop_
save_
save_MR_file_comment_13
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2kmz
_Org_constr_file_comment.ID 7
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 13
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "assign ( resid 38 and name hn) ( resid 38 and name ha) 3.5 1.7 0.7 higher} "
save_
save_CNS/XPLOR_distance_constraints_14
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kmz
_Distance_constraint_list.ID 6
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 14
_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_2kmz 6
2 1 . . . parsed_2kmz 6
3 1 . . . parsed_2kmz 6
4 1 . . . parsed_2kmz 6
5 1 . . . parsed_2kmz 6
6 1 . . . parsed_2kmz 6
7 1 . . . parsed_2kmz 6
8 1 . . . parsed_2kmz 6
9 1 . . . parsed_2kmz 6
10 1 . . . parsed_2kmz 6
11 1 . . . parsed_2kmz 6
12 1 . . . parsed_2kmz 6
13 1 . . . parsed_2kmz 6
14 1 . . . parsed_2kmz 6
15 1 . . . parsed_2kmz 6
16 1 . . . parsed_2kmz 6
17 1 . . . parsed_2kmz 6
18 1 . . . parsed_2kmz 6
19 1 . . . parsed_2kmz 6
20 1 . . . parsed_2kmz 6
21 1 . . . parsed_2kmz 6
22 1 . . . parsed_2kmz 6
23 1 . . . parsed_2kmz 6
24 1 . . . parsed_2kmz 6
25 1 . . . parsed_2kmz 6
26 1 . . . parsed_2kmz 6
27 1 . . . parsed_2kmz 6
28 1 . . . parsed_2kmz 6
29 1 . . . parsed_2kmz 6
30 1 . . . parsed_2kmz 6
31 1 . . . parsed_2kmz 6
32 1 . . . parsed_2kmz 6
33 1 . . . parsed_2kmz 6
34 1 . . . parsed_2kmz 6
35 1 . . . parsed_2kmz 6
36 1 . . . parsed_2kmz 6
37 1 . . . parsed_2kmz 6
38 1 . . . parsed_2kmz 6
39 1 . . . parsed_2kmz 6
40 1 . . . parsed_2kmz 6
41 1 . . . parsed_2kmz 6
42 1 . . . parsed_2kmz 6
43 1 . . . parsed_2kmz 6
44 1 . . . parsed_2kmz 6
45 1 . . . parsed_2kmz 6
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 . . . . . . . . . 38 . hn parsed_2kmz 6
1 1 2 . . . . . . . . . 39 . hn parsed_2kmz 6
2 1 1 . . . . . . . . . 39 . hn parsed_2kmz 6
2 1 2 . . . . . . . . . 14 . hb# parsed_2kmz 6
3 1 1 . . . . . . . . . 39 . hn parsed_2kmz 6
3 1 2 . . . . . . . . . 36 . ha parsed_2kmz 6
4 1 1 . . . . . . . . . 39 . hn parsed_2kmz 6
4 1 2 . . . . . . . . . 37 . hn parsed_2kmz 6
5 1 1 . . . . . . . . . 39 . hn parsed_2kmz 6
5 1 2 . . . . . . . . . 38 . hd2# parsed_2kmz 6
6 1 1 . . . . . . . . . 39 . hn parsed_2kmz 6
6 1 2 . . . . . . . . . 39 . ha# parsed_2kmz 6
7 1 1 . . . . . . . . . 39 . hn parsed_2kmz 6
7 1 2 . . . . . . . . . 40 . hn parsed_2kmz 6
8 1 1 . . . . . . . . . 39 . ha# parsed_2kmz 6
8 1 2 . . . . . . . . . 40 . hn parsed_2kmz 6
9 1 1 . . . . . . . . . 40 . hn parsed_2kmz 6
9 1 2 . . . . . . . . . 14 . hb# parsed_2kmz 6
10 1 1 . . . . . . . . . 40 . hn parsed_2kmz 6
10 1 2 . . . . . . . . . 40 . ha parsed_2kmz 6
11 1 1 . . . . . . . . . 40 . hn parsed_2kmz 6
11 1 2 . . . . . . . . . 40 . hb# parsed_2kmz 6
12 1 1 . . . . . . . . . 40 . hn parsed_2kmz 6
12 1 2 . . . . . . . . . 41 . hb# parsed_2kmz 6
13 1 1 . . . . . . . . . 41 . hn parsed_2kmz 6
13 1 2 . . . . . . . . . 40 . hn parsed_2kmz 6
14 1 1 . . . . . . . . . 41 . hn parsed_2kmz 6
14 1 2 . . . . . . . . . 40 . ha parsed_2kmz 6
15 1 1 . . . . . . . . . 41 . hn parsed_2kmz 6
15 1 2 . . . . . . . . . 41 . ha parsed_2kmz 6
16 1 1 . . . . . . . . . 41 . hn parsed_2kmz 6
16 1 2 . . . . . . . . . 41 . hb# parsed_2kmz 6
17 1 1 . . . . . . . . . 43 . ha parsed_2kmz 6
17 1 2 . . . . . . . . . 44 . hd# parsed_2kmz 6
18 1 1 . . . . . . . . . 47 . ha parsed_2kmz 6
18 1 2 . . . . . . . . . 48 . hn parsed_2kmz 6
19 1 1 . . . . . . . . . 48 . hn parsed_2kmz 6
19 1 2 . . . . . . . . . 47 . ha parsed_2kmz 6
20 1 1 . . . . . . . . . 48 . hn parsed_2kmz 6
20 1 2 . . . . . . . . . 48 . hb# parsed_2kmz 6
21 1 1 . . . . . . . . . 48 . ha parsed_2kmz 6
21 1 2 . . . . . . . . . 48 . hd# parsed_2kmz 6
22 1 1 . . . . . . . . . 52 . hn parsed_2kmz 6
22 1 2 . . . . . . . . . 51 . ha parsed_2kmz 6
23 1 1 . . . . . . . . . 52 . hn parsed_2kmz 6
23 1 2 . . . . . . . . . 51 . hb# parsed_2kmz 6
24 1 1 . . . . . . . . . 52 . hn parsed_2kmz 6
24 1 2 . . . . . . . . . 52 . ha parsed_2kmz 6
25 1 1 . . . . . . . . . 52 . hn parsed_2kmz 6
25 1 2 . . . . . . . . . 52 . hb# parsed_2kmz 6
26 1 1 . . . . . . . . . 52 . ha parsed_2kmz 6
26 1 2 . . . . . . . . . 52 . he3 parsed_2kmz 6
27 1 1 . . . . . . . . . 58 . hn parsed_2kmz 6
27 1 2 . . . . . . . . . 58 . ha parsed_2kmz 6
28 1 1 . . . . . . . . . 58 . hn parsed_2kmz 6
28 1 2 . . . . . . . . . 58 . hb parsed_2kmz 6
29 1 1 . . . . . . . . . 58 . hn parsed_2kmz 6
29 1 2 . . . . . . . . . 58 . hg2# parsed_2kmz 6
30 1 1 . . . . . . . . . 59 . hn parsed_2kmz 6
30 1 2 . . . . . . . . . 58 . ha parsed_2kmz 6
31 1 1 . . . . . . . . . 59 . hn parsed_2kmz 6
31 1 2 . . . . . . . . . 59 . hb# parsed_2kmz 6
32 1 1 . . . . . . . . . 60 . hn parsed_2kmz 6
32 1 2 . . . . . . . . . 59 . ha parsed_2kmz 6
33 1 1 . . . . . . . . . 60 . hn parsed_2kmz 6
33 1 2 . . . . . . . . . 60 . ha parsed_2kmz 6
34 1 1 . . . . . . . . . 61 . hn parsed_2kmz 6
34 1 2 . . . . . . . . . 61 . ha parsed_2kmz 6
35 1 1 . . . . . . . . . 61 . hn parsed_2kmz 6
35 1 2 . . . . . . . . . 61 . hb# parsed_2kmz 6
36 1 1 . . . . . . . . . 61 . hn parsed_2kmz 6
36 1 2 . . . . . . . . . 61 . hg# parsed_2kmz 6
37 1 1 . . . . . . . . . 61 . hn parsed_2kmz 6
37 1 2 . . . . . . . . . 62 . hn parsed_2kmz 6
38 1 1 . . . . . . . . . 62 . hn parsed_2kmz 6
38 1 2 . . . . . . . . . 61 . ha parsed_2kmz 6
39 1 1 . . . . . . . . . 62 . hn parsed_2kmz 6
39 1 2 . . . . . . . . . 61 . hb# parsed_2kmz 6
40 1 1 . . . . . . . . . 62 . hn parsed_2kmz 6
40 1 2 . . . . . . . . . 62 . hb# parsed_2kmz 6
41 1 1 . . . . . . . . . 62 . hn parsed_2kmz 6
41 1 2 . . . . . . . . . 63 . hn parsed_2kmz 6
42 1 1 . . . . . . . . . 63 . hn parsed_2kmz 6
42 1 2 . . . . . . . . . 62 . ha parsed_2kmz 6
43 1 1 . . . . . . . . . 63 . hn parsed_2kmz 6
43 1 2 . . . . . . . . . 62 . hb# parsed_2kmz 6
44 1 1 . . . . . . . . . 63 . hn parsed_2kmz 6
44 1 2 . . . . . . . . . 63 . hd# parsed_2kmz 6
45 1 1 . . . . . . . . . 63 . hn parsed_2kmz 6
45 1 2 . . . . . . . . . 63 . ha parsed_2kmz 6
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 1.8 3.4 parsed_2kmz 6
2 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
3 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
4 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
5 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
6 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 6
7 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 6
8 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 6
9 1 . . . . . 3 1.8 3.4 parsed_2kmz 6
10 1 . . . . . 3 1.8 3.4 parsed_2kmz 6
11 1 . . . . . 3 1.8 3.4 parsed_2kmz 6
12 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
13 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 6
14 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
15 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 6
16 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 6
17 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 6
18 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 6
19 1 . . . . . 3 1.8 3.4 parsed_2kmz 6
20 1 . . . . . 3 1.8 3.4 parsed_2kmz 6
21 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 6
22 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 6
23 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 6
24 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
25 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
26 1 . . . . . 3 1.8 3.4 parsed_2kmz 6
27 1 . . . . . 3 1.8 3.4 parsed_2kmz 6
28 1 . . . . . 3 1.8 3.4 parsed_2kmz 6
29 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
30 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 6
31 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
32 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
33 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
34 1 . . . . . 3 1.8 3.4 parsed_2kmz 6
35 1 . . . . . 3 1.8 3.4 parsed_2kmz 6
36 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
37 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
38 1 . . . . . 3 1.8 3.4 parsed_2kmz 6
39 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
40 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 6
41 1 . . . . . 3 1.8 3.4 parsed_2kmz 6
42 1 . . . . . 3 1.8 3.4 parsed_2kmz 6
43 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 6
44 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 6
45 1 . . . . . 3 1.8 3.4 parsed_2kmz 6
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 Gly39 2 1 2 28 parsed_2kmz 6
2 "assign ( resid 39 and name hn) ( resid 38 and name ?) 2.4 0.6 0.4" 6 1 6 74 parsed_2kmz 6
3 "assign ( resid 39 and name hn) ( resid 39 and name ha1) 2.4 0.6 0.4" 8 1 8 76 parsed_2kmz 6
4
;
Cys40
assign ( resid 40 and name hn) ( resid 16 and name hb1) 3.5 1.7 0.7
assign ( resid 40 and name hn) ( resid 16 and name hb2) 3.5 1.7 0.7
;
12 1 14 76 parsed_2kmz 6
5
;
assign ( resid 40 and name hn) ( resid 39 and name hn) 2.4 0.6 0.4
assign ( resid 40 and name hn) ( resid 39 and name ha1) 3 1.2 0.4 2D}
assign ( resid 40 and name hn) ( resid 39 and name ha2) 3.5 1.7 0.7
assign ( resid 40 and name hn) ( resid 40 and name hb#) 2.4 0.6 0.4
;
16 1 19 76 parsed_2kmz 6
6 Ala41 23 1 23 28 parsed_2kmz 6
7 Ala43 28 1 28 28 parsed_2kmz 6
8 Pro47 30 1 30 28 parsed_2kmz 6
9 Phe48 32 1 32 28 parsed_2kmz 6
10
;
assign (resid 48 and name hb#) (resid 48 and name hd#) 2.4 0.6 1.4
assign (resid 48 and name hb#) (resid 48 and name hn) 2.4 0.6 0.4
Trp52
;
36 1 38 28 parsed_2kmz 6
11 "assign ( resid 52 and name hn) ( resid 52 and name hb2) 3.5 1.7 0.7" 43 1 43 76 parsed_2kmz 6
12 Ile58 45 1 45 28 parsed_2kmz 6
13
;
assign ( resid 58 and name hn) ( resid 58 and name hg22) 3.5 1.7 0.7
Ser59
;
49 1 50 28 parsed_2kmz 6
14 Glu60 53 1 53 29 parsed_2kmz 6
15 Glu61 56 1 56 29 parsed_2kmz 6
16 Asp62 61 1 61 28 parsed_2kmz 6
17 "assign ( resid 62 and name hn) ( resid 61 and name hn) 3.5 1.7 0.7" 64 1 64 75 parsed_2kmz 6
18 Leu63 67 1 67 28 parsed_2kmz 6
19 "assign ( resid 63 and name hn) ( resid 62 and name hn) 3 1.2 0.4" 69 1 69 73 parsed_2kmz 6
stop_
save_
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