NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
603957 |
2nb6   |
25963 | cing | 2-parsed | STAR | entry | full | 151 |
data_2nb6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2nb6
_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_2nb6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2nb6
_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 2nb6 "Master copy" parsed_2nb6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2nb6
_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 2nb6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2nb6 1
1 2nb6.mr . . DYANA/DIANA 2 distance NOE simple 125 parsed_2nb6 1
1 2nb6.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 6 parsed_2nb6 1
1 2nb6.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_2nb6 1
1 2nb6.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2nb6 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_2nb6
_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 PLANT PROTEIN 24-JAN-16 2NB6
*TITLE NMR SOLUTION STRUCTURE OF PAWS DERIVED PEPTIDE 10 (PDP-10)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: PREPROALBUMIN PAWS1;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: RESIDUES 37-52;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: GALINSOGA QUADRIRADIATA;
*SOURCE 4 ORGANISM_COMMON: SHAGGY SOLDIER;
*SOURCE 5 ORGANISM_TAXID: 183030;
*SOURCE 6 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS.
*KEYWDS PLANT PEPTIDE, PLANT PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR B.G.FRANKE, A.G.ELLIOTT, J.S.MYLNE, K.J.ROSENGREN
*REVDAT 1 29-JUN-16 2NB6 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2nb6
_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_2nb6 1
2 1 . . . parsed_2nb6 1
3 1 . . . parsed_2nb6 1
4 1 . . . parsed_2nb6 1
5 1 . . . parsed_2nb6 1
6 1 . . . parsed_2nb6 1
7 1 . . . parsed_2nb6 1
8 1 . . . parsed_2nb6 1
9 1 . . . parsed_2nb6 1
10 1 . . . parsed_2nb6 1
11 1 . . . parsed_2nb6 1
12 1 . . . parsed_2nb6 1
13 1 . . . parsed_2nb6 1
14 1 . . . parsed_2nb6 1
15 1 . . . parsed_2nb6 1
16 1 . . . parsed_2nb6 1
17 1 . . . parsed_2nb6 1
18 1 . . . parsed_2nb6 1
19 1 . . . parsed_2nb6 1
20 1 . . . parsed_2nb6 1
21 1 . . . parsed_2nb6 1
22 1 . . . parsed_2nb6 1
23 1 . . . parsed_2nb6 1
24 1 . . . parsed_2nb6 1
25 1 . . . parsed_2nb6 1
26 1 . . . parsed_2nb6 1
27 1 . . . parsed_2nb6 1
28 1 . . . parsed_2nb6 1
29 1 . . . parsed_2nb6 1
30 1 . . . parsed_2nb6 1
31 1 . . . parsed_2nb6 1
32 1 . . . parsed_2nb6 1
33 1 . . . parsed_2nb6 1
34 1 . . . parsed_2nb6 1
35 1 . . . parsed_2nb6 1
36 1 . . . parsed_2nb6 1
37 1 . . . parsed_2nb6 1
38 1 . . . parsed_2nb6 1
39 1 . . . parsed_2nb6 1
40 1 . . . parsed_2nb6 1
41 1 . . . parsed_2nb6 1
42 1 . . . parsed_2nb6 1
43 1 . . . parsed_2nb6 1
44 1 . . . parsed_2nb6 1
45 1 . . . parsed_2nb6 1
46 1 . . . parsed_2nb6 1
47 1 . . . parsed_2nb6 1
48 1 . . . parsed_2nb6 1
49 1 . . . parsed_2nb6 1
50 1 . . . parsed_2nb6 1
51 1 . . . parsed_2nb6 1
52 1 . . . parsed_2nb6 1
53 1 . . . parsed_2nb6 1
54 1 . . . parsed_2nb6 1
55 1 . . . parsed_2nb6 1
56 1 . . . parsed_2nb6 1
57 1 . . . parsed_2nb6 1
58 1 . . . parsed_2nb6 1
59 1 . . . parsed_2nb6 1
60 1 . . . parsed_2nb6 1
61 1 . . . parsed_2nb6 1
62 1 . . . parsed_2nb6 1
63 1 . . . parsed_2nb6 1
64 1 . . . parsed_2nb6 1
65 1 . . . parsed_2nb6 1
66 1 . . . parsed_2nb6 1
67 1 . . . parsed_2nb6 1
68 1 . . . parsed_2nb6 1
69 1 . . . parsed_2nb6 1
70 1 . . . parsed_2nb6 1
71 1 . . . parsed_2nb6 1
72 1 . . . parsed_2nb6 1
73 1 . . . parsed_2nb6 1
74 1 . . . parsed_2nb6 1
75 1 . . . parsed_2nb6 1
76 1 . . . parsed_2nb6 1
77 1 . . . parsed_2nb6 1
78 1 . . . parsed_2nb6 1
79 1 . . . parsed_2nb6 1
80 1 . . . parsed_2nb6 1
81 1 . . . parsed_2nb6 1
82 1 . . . parsed_2nb6 1
83 1 . . . parsed_2nb6 1
84 1 . . . parsed_2nb6 1
85 1 . . . parsed_2nb6 1
86 1 . . . parsed_2nb6 1
87 1 . . . parsed_2nb6 1
88 1 . . . parsed_2nb6 1
89 1 . . . parsed_2nb6 1
90 1 . . . parsed_2nb6 1
91 1 . . . parsed_2nb6 1
92 1 . . . parsed_2nb6 1
93 1 . . . parsed_2nb6 1
94 1 . . . parsed_2nb6 1
95 1 . . . parsed_2nb6 1
96 1 . . . parsed_2nb6 1
97 1 . . . parsed_2nb6 1
98 1 . . . parsed_2nb6 1
99 1 . . . parsed_2nb6 1
100 1 . . . parsed_2nb6 1
101 1 . . . parsed_2nb6 1
102 1 . . . parsed_2nb6 1
103 1 . . . parsed_2nb6 1
104 1 . . . parsed_2nb6 1
105 1 . . . parsed_2nb6 1
106 1 . . . parsed_2nb6 1
107 1 . . . parsed_2nb6 1
108 1 . . . parsed_2nb6 1
109 1 . . . parsed_2nb6 1
110 1 . . . parsed_2nb6 1
111 1 . . . parsed_2nb6 1
112 1 . . . parsed_2nb6 1
113 1 . . . parsed_2nb6 1
114 1 . . . parsed_2nb6 1
115 1 . . . parsed_2nb6 1
116 1 . . . parsed_2nb6 1
117 1 . . . parsed_2nb6 1
118 1 . . . parsed_2nb6 1
119 1 . . . parsed_2nb6 1
120 1 . . . parsed_2nb6 1
121 1 . . . parsed_2nb6 1
122 1 . . . parsed_2nb6 1
123 1 . . . parsed_2nb6 1
124 1 . . . parsed_2nb6 1
125 1 . . . parsed_2nb6 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 . . . . . . . . . 12 THR H parsed_2nb6 1
1 1 2 . . . . . . . . . 12 THR QG2 parsed_2nb6 1
2 1 1 . . . . . . . . . 12 THR H parsed_2nb6 1
2 1 2 . . . . . . . . . 12 THR HB parsed_2nb6 1
3 1 1 . . . . . . . . . 11 PHE HA parsed_2nb6 1
3 1 2 . . . . . . . . . 12 THR H parsed_2nb6 1
4 1 1 . . . . . . . . . 12 THR HA parsed_2nb6 1
4 1 2 . . . . . . . . . 13 CYSS H parsed_2nb6 1
5 1 1 . . . . . . . . . 13 CYSS HA parsed_2nb6 1
5 1 2 . . . . . . . . . 14 ASP H parsed_2nb6 1
6 1 1 . . . . . . . . . 10 PHE H parsed_2nb6 1
6 1 2 . . . . . . . . . 10 PHE HA parsed_2nb6 1
7 1 1 . . . . . . . . . 10 PHE HB2 parsed_2nb6 1
7 1 2 . . . . . . . . . 11 PHE H parsed_2nb6 1
8 1 1 . . . . . . . . . 10 PHE HB3 parsed_2nb6 1
8 1 2 . . . . . . . . . 11 PHE H parsed_2nb6 1
9 1 1 . . . . . . . . . 8 PRO HA parsed_2nb6 1
9 1 2 . . . . . . . . . 9 PRO HA parsed_2nb6 1
10 1 1 . . . . . . . . . 3 TYR H parsed_2nb6 1
10 1 2 . . . . . . . . . 3 TYR HB2 parsed_2nb6 1
11 1 1 . . . . . . . . . 3 TYR H parsed_2nb6 1
11 1 2 . . . . . . . . . 3 TYR HB3 parsed_2nb6 1
12 1 1 . . . . . . . . . 3 TYR HA parsed_2nb6 1
12 1 2 . . . . . . . . . 4 PRO HD3 parsed_2nb6 1
13 1 1 . . . . . . . . . 3 TYR HA parsed_2nb6 1
13 1 2 . . . . . . . . . 4 PRO HD2 parsed_2nb6 1
14 1 1 . . . . . . . . . 7 TYR HA parsed_2nb6 1
14 1 2 . . . . . . . . . 8 PRO HD2 parsed_2nb6 1
15 1 1 . . . . . . . . . 7 TYR HA parsed_2nb6 1
15 1 2 . . . . . . . . . 8 PRO HD3 parsed_2nb6 1
16 1 1 . . . . . . . . . 4 PRO HA parsed_2nb6 1
16 1 2 . . . . . . . . . 5 VAL H parsed_2nb6 1
17 1 1 . . . . . . . . . 5 VAL H parsed_2nb6 1
17 1 2 . . . . . . . . . 10 PHE HA parsed_2nb6 1
18 1 1 . . . . . . . . . 5 VAL H parsed_2nb6 1
18 1 2 . . . . . . . . . 5 VAL QG1 parsed_2nb6 1
19 1 1 . . . . . . . . . 5 VAL H parsed_2nb6 1
19 1 2 . . . . . . . . . 5 VAL QG2 parsed_2nb6 1
20 1 1 . . . . . . . . . 5 VAL HA parsed_2nb6 1
20 1 2 . . . . . . . . . 6 PRO HD3 parsed_2nb6 1
21 1 1 . . . . . . . . . 5 VAL HA parsed_2nb6 1
21 1 2 . . . . . . . . . 6 PRO HD2 parsed_2nb6 1
22 1 1 . . . . . . . . . 1 GLY QA parsed_2nb6 1
22 1 2 . . . . . . . . . 2 CYSS H parsed_2nb6 1
23 1 1 . . . . . . . . . 14 ASP HA parsed_2nb6 1
23 1 2 . . . . . . . . . 15 PRO QD parsed_2nb6 1
24 1 1 . . . . . . . . . 12 THR HA parsed_2nb6 1
24 1 2 . . . . . . . . . 12 THR QG2 parsed_2nb6 1
25 1 1 . . . . . . . . . 3 TYR H parsed_2nb6 1
25 1 2 . . . . . . . . . 4 PRO HD3 parsed_2nb6 1
26 1 1 . . . . . . . . . 3 TYR H parsed_2nb6 1
26 1 2 . . . . . . . . . 13 CYSS HA parsed_2nb6 1
27 1 1 . . . . . . . . . 5 VAL QG2 parsed_2nb6 1
27 1 2 . . . . . . . . . 10 PHE H parsed_2nb6 1
28 1 1 . . . . . . . . . 5 VAL QG2 parsed_2nb6 1
28 1 2 . . . . . . . . . 12 THR H parsed_2nb6 1
29 1 1 . . . . . . . . . 3 TYR H parsed_2nb6 1
29 1 2 . . . . . . . . . 5 VAL QG1 parsed_2nb6 1
30 1 1 . . . . . . . . . 12 THR QG2 parsed_2nb6 1
30 1 2 . . . . . . . . . 13 CYSS H parsed_2nb6 1
31 1 1 . . . . . . . . . 9 PRO HG3 parsed_2nb6 1
31 1 2 . . . . . . . . . 10 PHE H parsed_2nb6 1
32 1 1 . . . . . . . . . 2 CYSS HA parsed_2nb6 1
32 1 2 . . . . . . . . . 14 ASP H parsed_2nb6 1
33 1 1 . . . . . . . . . 4 PRO HA parsed_2nb6 1
33 1 2 . . . . . . . . . 12 THR H parsed_2nb6 1
34 1 1 . . . . . . . . . 4 PRO HB3 parsed_2nb6 1
34 1 2 . . . . . . . . . 5 VAL H parsed_2nb6 1
35 1 1 . . . . . . . . . 4 PRO HB2 parsed_2nb6 1
35 1 2 . . . . . . . . . 5 VAL H parsed_2nb6 1
36 1 1 . . . . . . . . . 15 PRO QG parsed_2nb6 1
36 1 2 . . . . . . . . . 16 ASN H parsed_2nb6 1
37 1 1 . . . . . . . . . 3 TYR H parsed_2nb6 1
37 1 2 . . . . . . . . . 3 TYR QD parsed_2nb6 1
38 1 1 . . . . . . . . . 10 PHE H parsed_2nb6 1
38 1 2 . . . . . . . . . 11 PHE H parsed_2nb6 1
39 1 1 . . . . . . . . . 10 PHE H parsed_2nb6 1
39 1 2 . . . . . . . . . 10 PHE QD parsed_2nb6 1
40 1 1 . . . . . . . . . 11 PHE QD parsed_2nb6 1
40 1 2 . . . . . . . . . 12 THR H parsed_2nb6 1
41 1 1 . . . . . . . . . 8 PRO HA parsed_2nb6 1
41 1 2 . . . . . . . . . 10 PHE H parsed_2nb6 1
42 1 1 . . . . . . . . . 5 VAL H parsed_2nb6 1
42 1 2 . . . . . . . . . 11 PHE HA parsed_2nb6 1
43 1 1 . . . . . . . . . 8 PRO HA parsed_2nb6 1
43 1 2 . . . . . . . . . 11 PHE H parsed_2nb6 1
44 1 1 . . . . . . . . . 9 PRO HB2 parsed_2nb6 1
44 1 2 . . . . . . . . . 11 PHE H parsed_2nb6 1
45 1 1 . . . . . . . . . 6 PRO HD2 parsed_2nb6 1
45 1 2 . . . . . . . . . 7 TYR H parsed_2nb6 1
46 1 1 . . . . . . . . . 6 PRO HD3 parsed_2nb6 1
46 1 2 . . . . . . . . . 7 TYR H parsed_2nb6 1
47 1 1 . . . . . . . . . 4 PRO HA parsed_2nb6 1
47 1 2 . . . . . . . . . 11 PHE HA parsed_2nb6 1
48 1 1 . . . . . . . . . 3 TYR HA parsed_2nb6 1
48 1 2 . . . . . . . . . 3 TYR QD parsed_2nb6 1
49 1 1 . . . . . . . . . 7 TYR HA parsed_2nb6 1
49 1 2 . . . . . . . . . 7 TYR QD parsed_2nb6 1
50 1 1 . . . . . . . . . 7 TYR H parsed_2nb6 1
50 1 2 . . . . . . . . . 7 TYR QD parsed_2nb6 1
51 1 1 . . . . . . . . . 10 PHE HA parsed_2nb6 1
51 1 2 . . . . . . . . . 10 PHE QD parsed_2nb6 1
52 1 1 . . . . . . . . . 11 PHE HA parsed_2nb6 1
52 1 2 . . . . . . . . . 11 PHE QD parsed_2nb6 1
53 1 1 . . . . . . . . . 3 TYR QD parsed_2nb6 1
53 1 2 . . . . . . . . . 5 VAL QG1 parsed_2nb6 1
54 1 1 . . . . . . . . . 9 PRO HA parsed_2nb6 1
54 1 2 . . . . . . . . . 10 PHE QD parsed_2nb6 1
55 1 1 . . . . . . . . . 11 PHE QD parsed_2nb6 1
55 1 2 . . . . . . . . . 12 THR HA parsed_2nb6 1
56 1 1 . . . . . . . . . 5 VAL HB parsed_2nb6 1
56 1 2 . . . . . . . . . 7 TYR H parsed_2nb6 1
57 1 1 . . . . . . . . . 5 VAL QG2 parsed_2nb6 1
57 1 2 . . . . . . . . . 7 TYR H parsed_2nb6 1
58 1 1 . . . . . . . . . 5 VAL HB parsed_2nb6 1
58 1 2 . . . . . . . . . 7 TYR QD parsed_2nb6 1
59 1 1 . . . . . . . . . 5 VAL QG2 parsed_2nb6 1
59 1 2 . . . . . . . . . 7 TYR QD parsed_2nb6 1
60 1 1 . . . . . . . . . 5 VAL QG2 parsed_2nb6 1
60 1 2 . . . . . . . . . 11 PHE HA parsed_2nb6 1
61 1 1 . . . . . . . . . 5 VAL QG1 parsed_2nb6 1
61 1 2 . . . . . . . . . 11 PHE HA parsed_2nb6 1
62 1 1 . . . . . . . . . 11 PHE HA parsed_2nb6 1
62 1 2 . . . . . . . . . 12 THR QG2 parsed_2nb6 1
63 1 1 . . . . . . . . . 5 VAL QG2 parsed_2nb6 1
63 1 2 . . . . . . . . . 11 PHE H parsed_2nb6 1
64 1 1 . . . . . . . . . 5 VAL QG2 parsed_2nb6 1
64 1 2 . . . . . . . . . 10 PHE QD parsed_2nb6 1
65 1 1 . . . . . . . . . 5 VAL HB parsed_2nb6 1
65 1 2 . . . . . . . . . 10 PHE QD parsed_2nb6 1
66 1 1 . . . . . . . . . 5 VAL QG1 parsed_2nb6 1
66 1 2 . . . . . . . . . 10 PHE QD parsed_2nb6 1
67 1 1 . . . . . . . . . 9 PRO HG2 parsed_2nb6 1
67 1 2 . . . . . . . . . 11 PHE H parsed_2nb6 1
68 1 1 . . . . . . . . . 9 PRO HB2 parsed_2nb6 1
68 1 2 . . . . . . . . . 11 PHE QD parsed_2nb6 1
69 1 1 . . . . . . . . . 9 PRO HB2 parsed_2nb6 1
69 1 2 . . . . . . . . . 11 PHE QE parsed_2nb6 1
70 1 1 . . . . . . . . . 2 CYSS HA parsed_2nb6 1
70 1 2 . . . . . . . . . 3 TYR QD parsed_2nb6 1
71 1 1 . . . . . . . . . 3 TYR QD parsed_2nb6 1
71 1 2 . . . . . . . . . 4 PRO HD2 parsed_2nb6 1
72 1 1 . . . . . . . . . 6 PRO HG3 parsed_2nb6 1
72 1 2 . . . . . . . . . 7 TYR QD parsed_2nb6 1
73 1 1 . . . . . . . . . 6 PRO HG2 parsed_2nb6 1
73 1 2 . . . . . . . . . 7 TYR QD parsed_2nb6 1
74 1 1 . . . . . . . . . 6 PRO HG2 parsed_2nb6 1
74 1 2 . . . . . . . . . 7 TYR QE parsed_2nb6 1
75 1 1 . . . . . . . . . 6 PRO HG3 parsed_2nb6 1
75 1 2 . . . . . . . . . 7 TYR QE parsed_2nb6 1
76 1 1 . . . . . . . . . 6 PRO HD2 parsed_2nb6 1
76 1 2 . . . . . . . . . 7 TYR QE parsed_2nb6 1
77 1 1 . . . . . . . . . 6 PRO HD2 parsed_2nb6 1
77 1 2 . . . . . . . . . 7 TYR QD parsed_2nb6 1
78 1 1 . . . . . . . . . 5 VAL HB parsed_2nb6 1
78 1 2 . . . . . . . . . 7 TYR QE parsed_2nb6 1
79 1 1 . . . . . . . . . 5 VAL QG2 parsed_2nb6 1
79 1 2 . . . . . . . . . 7 TYR QE parsed_2nb6 1
80 1 1 . . . . . . . . . 8 PRO HA parsed_2nb6 1
80 1 2 . . . . . . . . . 10 PHE QD parsed_2nb6 1
81 1 1 . . . . . . . . . 8 PRO HB3 parsed_2nb6 1
81 1 2 . . . . . . . . . 10 PHE H parsed_2nb6 1
82 1 1 . . . . . . . . . 13 CYSS HB3 parsed_2nb6 1
82 1 2 . . . . . . . . . 14 ASP H parsed_2nb6 1
83 1 1 . . . . . . . . . 13 CYSS HB2 parsed_2nb6 1
83 1 2 . . . . . . . . . 14 ASP H parsed_2nb6 1
84 1 1 . . . . . . . . . 9 PRO HB2 parsed_2nb6 1
84 1 2 . . . . . . . . . 10 PHE QD parsed_2nb6 1
85 1 1 . . . . . . . . . 8 PRO HB3 parsed_2nb6 1
85 1 2 . . . . . . . . . 10 PHE QD parsed_2nb6 1
86 1 1 . . . . . . . . . 7 TYR HA parsed_2nb6 1
86 1 2 . . . . . . . . . 10 PHE QD parsed_2nb6 1
87 1 1 . . . . . . . . . 9 PRO HG3 parsed_2nb6 1
87 1 2 . . . . . . . . . 11 PHE H parsed_2nb6 1
88 1 1 . . . . . . . . . 2 CYSS HA parsed_2nb6 1
88 1 2 . . . . . . . . . 13 CYSS HA parsed_2nb6 1
89 1 1 . . . . . . . . . 2 CYSS HA parsed_2nb6 1
89 1 2 . . . . . . . . . 3 TYR H parsed_2nb6 1
90 1 1 . . . . . . . . . 5 VAL HA parsed_2nb6 1
90 1 2 . . . . . . . . . 7 TYR H parsed_2nb6 1
91 1 1 . . . . . . . . . 3 TYR QE parsed_2nb6 1
91 1 2 . . . . . . . . . 5 VAL QG1 parsed_2nb6 1
92 1 1 . . . . . . . . . 7 TYR HB2 parsed_2nb6 1
92 1 2 . . . . . . . . . 8 PRO HD3 parsed_2nb6 1
93 1 1 . . . . . . . . . 7 TYR HB2 parsed_2nb6 1
93 1 2 . . . . . . . . . 8 PRO HD2 parsed_2nb6 1
94 1 1 . . . . . . . . . 7 TYR HB3 parsed_2nb6 1
94 1 2 . . . . . . . . . 8 PRO HD3 parsed_2nb6 1
95 1 1 . . . . . . . . . 7 TYR HB3 parsed_2nb6 1
95 1 2 . . . . . . . . . 8 PRO HD2 parsed_2nb6 1
96 1 1 . . . . . . . . . 3 TYR HB2 parsed_2nb6 1
96 1 2 . . . . . . . . . 4 PRO HD2 parsed_2nb6 1
97 1 1 . . . . . . . . . 3 TYR HB2 parsed_2nb6 1
97 1 2 . . . . . . . . . 4 PRO HD3 parsed_2nb6 1
98 1 1 . . . . . . . . . 3 TYR HB3 parsed_2nb6 1
98 1 2 . . . . . . . . . 4 PRO HD2 parsed_2nb6 1
99 1 1 . . . . . . . . . 3 TYR HB3 parsed_2nb6 1
99 1 2 . . . . . . . . . 4 PRO HD3 parsed_2nb6 1
100 1 1 . . . . . . . . . 1 GLY QA parsed_2nb6 1
100 1 2 . . . . . . . . . 3 TYR QD parsed_2nb6 1
101 1 1 . . . . . . . . . 5 VAL QG2 parsed_2nb6 1
101 1 2 . . . . . . . . . 6 PRO HD2 parsed_2nb6 1
102 1 1 . . . . . . . . . 5 VAL QG2 parsed_2nb6 1
102 1 2 . . . . . . . . . 6 PRO HD3 parsed_2nb6 1
103 1 1 . . . . . . . . . 5 VAL QG1 parsed_2nb6 1
103 1 2 . . . . . . . . . 6 PRO HD2 parsed_2nb6 1
104 1 1 . . . . . . . . . 5 VAL QG1 parsed_2nb6 1
104 1 2 . . . . . . . . . 6 PRO HD3 parsed_2nb6 1
105 1 1 . . . . . . . . . 5 VAL QG2 parsed_2nb6 1
105 1 2 . . . . . . . . . 10 PHE HA parsed_2nb6 1
106 1 1 . . . . . . . . . 5 VAL HA parsed_2nb6 1
106 1 2 . . . . . . . . . 5 VAL QG1 parsed_2nb6 1
107 1 1 . . . . . . . . . 5 VAL HB parsed_2nb6 1
107 1 2 . . . . . . . . . 6 PRO HD2 parsed_2nb6 1
108 1 1 . . . . . . . . . 5 VAL HB parsed_2nb6 1
108 1 2 . . . . . . . . . 6 PRO HD3 parsed_2nb6 1
109 1 1 . . . . . . . . . 2 CYSS QB parsed_2nb6 1
109 1 2 . . . . . . . . . 3 TYR H parsed_2nb6 1
110 1 1 . . . . . . . . . 3 TYR H parsed_2nb6 1
110 1 2 . . . . . . . . . 3 TYR QB parsed_2nb6 1
111 1 1 . . . . . . . . . 3 TYR QB parsed_2nb6 1
111 1 2 . . . . . . . . . 4 PRO HD2 parsed_2nb6 1
112 1 1 . . . . . . . . . 3 TYR QB parsed_2nb6 1
112 1 2 . . . . . . . . . 4 PRO HD3 parsed_2nb6 1
113 1 1 . . . . . . . . . 4 PRO QB parsed_2nb6 1
113 1 2 . . . . . . . . . 5 VAL H parsed_2nb6 1
114 1 1 . . . . . . . . . 5 VAL H parsed_2nb6 1
114 1 2 . . . . . . . . . 10 PHE QB parsed_2nb6 1
115 1 1 . . . . . . . . . 6 PRO QB parsed_2nb6 1
115 1 2 . . . . . . . . . 7 TYR QD parsed_2nb6 1
116 1 1 . . . . . . . . . 6 PRO QG parsed_2nb6 1
116 1 2 . . . . . . . . . 7 TYR H parsed_2nb6 1
117 1 1 . . . . . . . . . 6 PRO QG parsed_2nb6 1
117 1 2 . . . . . . . . . 7 TYR QD parsed_2nb6 1
118 1 1 . . . . . . . . . 6 PRO QG parsed_2nb6 1
118 1 2 . . . . . . . . . 7 TYR QE parsed_2nb6 1
119 1 1 . . . . . . . . . 7 TYR H parsed_2nb6 1
119 1 2 . . . . . . . . . 7 TYR QB parsed_2nb6 1
120 1 1 . . . . . . . . . 7 TYR HA parsed_2nb6 1
120 1 2 . . . . . . . . . 8 PRO QD parsed_2nb6 1
121 1 1 . . . . . . . . . 7 TYR QB parsed_2nb6 1
121 1 2 . . . . . . . . . 8 PRO QD parsed_2nb6 1
122 1 1 . . . . . . . . . 8 PRO QG parsed_2nb6 1
122 1 2 . . . . . . . . . 10 PHE QD parsed_2nb6 1
123 1 1 . . . . . . . . . 9 PRO QD parsed_2nb6 1
123 1 2 . . . . . . . . . 11 PHE H parsed_2nb6 1
124 1 1 . . . . . . . . . 10 PHE QB parsed_2nb6 1
124 1 2 . . . . . . . . . 11 PHE QD parsed_2nb6 1
125 1 1 . . . . . . . . . 11 PHE QB parsed_2nb6 1
125 1 2 . . . . . . . . . 12 THR H parsed_2nb6 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 . . . . . . . 4.06 parsed_2nb6 1
2 1 . . . . . . . 4.14 parsed_2nb6 1
3 1 . . . . . . . 2.76 parsed_2nb6 1
4 1 . . . . . . . 3.14 parsed_2nb6 1
5 1 . . . . . . . 3.11 parsed_2nb6 1
6 1 . . . . . . . 2.89 parsed_2nb6 1
7 1 . . . . . . . 5.50 parsed_2nb6 1
8 1 . . . . . . . 5.50 parsed_2nb6 1
9 1 . . . . . . . 2.74 parsed_2nb6 1
10 1 . . . . . . . 4.09 parsed_2nb6 1
11 1 . . . . . . . 4.09 parsed_2nb6 1
12 1 . . . . . . . 3.08 parsed_2nb6 1
13 1 . . . . . . . 3.67 parsed_2nb6 1
14 1 . . . . . . . 3.67 parsed_2nb6 1
15 1 . . . . . . . 3.67 parsed_2nb6 1
16 1 . . . . . . . 2.68 parsed_2nb6 1
17 1 . . . . . . . 3.75 parsed_2nb6 1
18 1 . . . . . . . 4.53 parsed_2nb6 1
19 1 . . . . . . . 3.67 parsed_2nb6 1
20 1 . . . . . . . 3.48 parsed_2nb6 1
21 1 . . . . . . . 3.25 parsed_2nb6 1
22 1 . . . . . . . 3.19 parsed_2nb6 1
23 1 . . . . . . . 3.60 parsed_2nb6 1
24 1 . . . . . . . 4.25 parsed_2nb6 1
25 1 . . . . . . . 5.04 parsed_2nb6 1
26 1 . . . . . . . 5.03 parsed_2nb6 1
27 1 . . . . . . . 4.23 parsed_2nb6 1
28 1 . . . . . . . 4.54 parsed_2nb6 1
29 1 . . . . . . . 5.00 parsed_2nb6 1
30 1 . . . . . . . 5.50 parsed_2nb6 1
31 1 . . . . . . . 5.50 parsed_2nb6 1
32 1 . . . . . . . 4.76 parsed_2nb6 1
33 1 . . . . . . . 4.62 parsed_2nb6 1
34 1 . . . . . . . 4.30 parsed_2nb6 1
35 1 . . . . . . . 4.30 parsed_2nb6 1
36 1 . . . . . . . 5.50 parsed_2nb6 1
37 1 . . . . . . . 3.94 parsed_2nb6 1
38 1 . . . . . . . 3.40 parsed_2nb6 1
39 1 . . . . . . . 4.21 parsed_2nb6 1
40 1 . . . . . . . 5.50 parsed_2nb6 1
41 1 . . . . . . . 3.00 parsed_2nb6 1
42 1 . . . . . . . 4.24 parsed_2nb6 1
43 1 . . . . . . . 5.50 parsed_2nb6 1
44 1 . . . . . . . 5.50 parsed_2nb6 1
45 1 . . . . . . . 4.18 parsed_2nb6 1
46 1 . . . . . . . 4.95 parsed_2nb6 1
47 1 . . . . . . . 3.41 parsed_2nb6 1
48 1 . . . . . . . 3.78 parsed_2nb6 1
49 1 . . . . . . . 4.18 parsed_2nb6 1
50 1 . . . . . . . 2.79 parsed_2nb6 1
51 1 . . . . . . . 2.59 parsed_2nb6 1
52 1 . . . . . . . 4.34 parsed_2nb6 1
53 1 . . . . . . . 3.53 parsed_2nb6 1
54 1 . . . . . . . 4.45 parsed_2nb6 1
55 1 . . . . . . . 4.46 parsed_2nb6 1
56 1 . . . . . . . 3.84 parsed_2nb6 1
57 1 . . . . . . . 4.01 parsed_2nb6 1
58 1 . . . . . . . 4.51 parsed_2nb6 1
59 1 . . . . . . . 4.31 parsed_2nb6 1
60 1 . . . . . . . 3.62 parsed_2nb6 1
61 1 . . . . . . . 5.50 parsed_2nb6 1
62 1 . . . . . . . 5.50 parsed_2nb6 1
63 1 . . . . . . . 3.82 parsed_2nb6 1
64 1 . . . . . . . 4.25 parsed_2nb6 1
65 1 . . . . . . . 4.98 parsed_2nb6 1
66 1 . . . . . . . 5.50 parsed_2nb6 1
67 1 . . . . . . . 3.67 parsed_2nb6 1
68 1 . . . . . . . 4.40 parsed_2nb6 1
69 1 . . . . . . . 4.08 parsed_2nb6 1
70 1 . . . . . . . 4.29 parsed_2nb6 1
71 1 . . . . . . . 4.01 parsed_2nb6 1
72 1 . . . . . . . 4.41 parsed_2nb6 1
73 1 . . . . . . . 4.41 parsed_2nb6 1
74 1 . . . . . . . 5.50 parsed_2nb6 1
75 1 . . . . . . . 5.50 parsed_2nb6 1
76 1 . . . . . . . 4.12 parsed_2nb6 1
77 1 . . . . . . . 4.02 parsed_2nb6 1
78 1 . . . . . . . 4.09 parsed_2nb6 1
79 1 . . . . . . . 4.16 parsed_2nb6 1
80 1 . . . . . . . 3.25 parsed_2nb6 1
81 1 . . . . . . . 4.65 parsed_2nb6 1
82 1 . . . . . . . 5.50 parsed_2nb6 1
83 1 . . . . . . . 5.50 parsed_2nb6 1
84 1 . . . . . . . 5.50 parsed_2nb6 1
85 1 . . . . . . . 4.18 parsed_2nb6 1
86 1 . . . . . . . 4.33 parsed_2nb6 1
87 1 . . . . . . . 5.20 parsed_2nb6 1
88 1 . . . . . . . 3.35 parsed_2nb6 1
89 1 . . . . . . . 2.81 parsed_2nb6 1
90 1 . . . . . . . 4.77 parsed_2nb6 1
91 1 . . . . . . . 3.69 parsed_2nb6 1
92 1 . . . . . . . 4.60 parsed_2nb6 1
93 1 . . . . . . . 4.60 parsed_2nb6 1
94 1 . . . . . . . 4.60 parsed_2nb6 1
95 1 . . . . . . . 4.60 parsed_2nb6 1
96 1 . . . . . . . 3.84 parsed_2nb6 1
97 1 . . . . . . . 4.21 parsed_2nb6 1
98 1 . . . . . . . 3.84 parsed_2nb6 1
99 1 . . . . . . . 4.21 parsed_2nb6 1
100 1 . . . . . . . 4.26 parsed_2nb6 1
101 1 . . . . . . . 4.22 parsed_2nb6 1
102 1 . . . . . . . 4.80 parsed_2nb6 1
103 1 . . . . . . . 3.80 parsed_2nb6 1
104 1 . . . . . . . 4.00 parsed_2nb6 1
105 1 . . . . . . . 3.22 parsed_2nb6 1
106 1 . . . . . . . 3.12 parsed_2nb6 1
107 1 . . . . . . . 3.18 parsed_2nb6 1
108 1 . . . . . . . 3.84 parsed_2nb6 1
109 1 . . . . . . . 4.14 parsed_2nb6 1
110 1 . . . . . . . 3.46 parsed_2nb6 1
111 1 . . . . . . . 3.23 parsed_2nb6 1
112 1 . . . . . . . 3.50 parsed_2nb6 1
113 1 . . . . . . . 3.75 parsed_2nb6 1
114 1 . . . . . . . 5.13 parsed_2nb6 1
115 1 . . . . . . . 5.34 parsed_2nb6 1
116 1 . . . . . . . 4.55 parsed_2nb6 1
117 1 . . . . . . . 3.55 parsed_2nb6 1
118 1 . . . . . . . 4.62 parsed_2nb6 1
119 1 . . . . . . . 3.68 parsed_2nb6 1
120 1 . . . . . . . 3.13 parsed_2nb6 1
121 1 . . . . . . . 3.08 parsed_2nb6 1
122 1 . . . . . . . 5.35 parsed_2nb6 1
123 1 . . . . . . . 5.34 parsed_2nb6 1
124 1 . . . . . . . 4.21 parsed_2nb6 1
125 1 . . . . . . . 3.48 parsed_2nb6 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 "peak 2 #SUP 1.00" 1 49 1 65 parsed_2nb6 1
2 "peak 4 #SUP 0.94 #QF 0.94" 2 49 2 74 parsed_2nb6 1
3 "peak 5 #SUP 0.78 #QF 0.78" 3 49 3 74 parsed_2nb6 1
4 "peak 13 #SUP 0.69 #QF 0.69" 4 49 4 75 parsed_2nb6 1
5 "peak 17 #SUP 0.75 #QF 0.75" 5 49 5 75 parsed_2nb6 1
6 "peak 19 #SUP 0.99 #QF 0.99" 6 49 6 75 parsed_2nb6 1
7 "peak 36 #SUP 1.00" 7 49 7 66 parsed_2nb6 1
8 "peak 37 #SUP 1.00" 8 49 8 66 parsed_2nb6 1
9 "peak 66 #SUP 1.00" 9 49 9 66 parsed_2nb6 1
10 "peak 71 #SUP 1.00" 10 49 10 66 parsed_2nb6 1
11 "peak 72 #SUP 0.98 #QF 0.98" 11 49 11 75 parsed_2nb6 1
12 "peak 107 #SUP 0.94 #QF 0.94" 12 49 12 76 parsed_2nb6 1
13 "peak 108 #SUP 1.00" 13 49 13 67 parsed_2nb6 1
14 "peak 109 #SUP 0.92 #QF 0.92" 14 49 14 76 parsed_2nb6 1
15 "peak 110 #SUP 0.94 #QF 0.94" 15 49 15 76 parsed_2nb6 1
16 "peak 112 #SUP 0.67 #QF 0.67" 16 49 16 76 parsed_2nb6 1
17 "peak 113 #SUP 1.00" 17 49 17 67 parsed_2nb6 1
18 "peak 115 #SUP 1.00" 18 49 18 67 parsed_2nb6 1
19 "peak 116 #SUP 0.94 #QF 0.94" 19 49 19 76 parsed_2nb6 1
20 "peak 138 #SUP 1.00" 20 49 20 67 parsed_2nb6 1
21 "peak 139 #SUP 1.00" 21 49 21 67 parsed_2nb6 1
22 "peak 140 #SUP 1.00" 22 49 22 67 parsed_2nb6 1
23 "peak 153 #SUP 0.96 #QF 0.96" 23 49 23 76 parsed_2nb6 1
24 "peak 180 #SUP 1.00" 24 49 24 67 parsed_2nb6 1
25 "peak 192 #SUP 1.00" 25 49 25 67 parsed_2nb6 1
26 "peak 193 #SUP 0.98 #QF 0.98" 26 49 26 76 parsed_2nb6 1
27 "peak 195 #SUP 0.86 #QF 0.86" 27 49 27 76 parsed_2nb6 1
28 "peak 196 #SUP 0.93 #QF 0.93" 28 49 28 76 parsed_2nb6 1
29 "peak 197 #SUP 0.88 #QF 0.88" 29 49 29 76 parsed_2nb6 1
30 "peak 198 #SUP 1.00" 30 49 30 67 parsed_2nb6 1
31 "peak 201 #SUP 0.99 #QF 0.99" 31 49 31 76 parsed_2nb6 1
32 "peak 202 #SUP 0.87 #QF 0.87" 32 49 32 76 parsed_2nb6 1
33 "peak 203 #SUP 0.89 #QF 0.89" 33 49 33 76 parsed_2nb6 1
34 "peak 204 #SUP 0.99 #QF 0.99" 34 49 34 76 parsed_2nb6 1
35 "peak 205 #SUP 1.00" 35 49 35 67 parsed_2nb6 1
36 "peak 206 #SUP 1.00" 36 49 36 67 parsed_2nb6 1
37 "peak 209 #SUP 0.98 #QF 0.98" 37 49 37 76 parsed_2nb6 1
38 "peak 210 #SUP 0.95 #QF 0.95" 38 49 38 76 parsed_2nb6 1
39 "peak 211 #SUP 1.00" 39 49 39 67 parsed_2nb6 1
40 "peak 213 #SUP 0.98 #QF 0.98" 40 49 40 76 parsed_2nb6 1
41 "peak 219 #SUP 0.57 #QF 0.57" 41 49 41 76 parsed_2nb6 1
42 "peak 221 #SUP 0.94 #QF 0.94" 42 49 42 76 parsed_2nb6 1
43 "peak 224 #SUP 1.00" 43 49 43 67 parsed_2nb6 1
44 "peak 225 #SUP 1.00" 44 49 44 67 parsed_2nb6 1
45 "peak 227 #SUP 1.00" 45 49 45 67 parsed_2nb6 1
46 "peak 228 #SUP 0.99 #QF 0.99" 46 49 46 76 parsed_2nb6 1
47 "peak 233 #SUP 0.93 #QF 0.93" 47 49 47 76 parsed_2nb6 1
48 "peak 241 #SUP 1.00" 48 49 48 67 parsed_2nb6 1
49 "peak 250 #SUP 0.96 #QF 0.96" 49 49 49 76 parsed_2nb6 1
50 "peak 253 #SUP 0.72 #QF 0.72" 50 49 50 76 parsed_2nb6 1
51 "peak 257 #SUP 0.57 #QF 0.57" 51 49 51 76 parsed_2nb6 1
52 "peak 261 #SUP 1.00" 52 49 52 67 parsed_2nb6 1
53 "peak 270 #SUP 0.70 #QF 0.70" 53 49 53 76 parsed_2nb6 1
54 "peak 274 #SUP 1.00" 54 49 54 67 parsed_2nb6 1
55 "peak 275 #SUP 0.47 #QF 0.47" 55 49 55 76 parsed_2nb6 1
56 "peak 276 #SUP 0.97 #QF 0.97" 56 49 56 76 parsed_2nb6 1
57 "peak 277 #SUP 0.98 #QF 0.98" 57 49 57 76 parsed_2nb6 1
58 "peak 278 #SUP 1.00" 58 49 58 67 parsed_2nb6 1
59 "peak 280 #SUP 1.00" 59 49 59 67 parsed_2nb6 1
60 "peak 281 #SUP 0.85 #QF 0.85" 60 49 60 76 parsed_2nb6 1
61 "peak 282 #SUP 0.92 #QF 0.85" 61 49 61 76 parsed_2nb6 1
62 "peak 282 #SUP 0.92 #QF 0.85" 62 49 62 76 parsed_2nb6 1
63 "peak 285 #SUP 0.95 #QF 0.95" 63 49 63 76 parsed_2nb6 1
64 "peak 286 #SUP 0.96 #QF 0.96" 64 49 64 76 parsed_2nb6 1
65 "peak 287 #SUP 0.72 #QF 0.72" 65 49 65 76 parsed_2nb6 1
66 "peak 290 #SUP 0.70 #QF 0.70" 66 49 66 76 parsed_2nb6 1
67 "peak 291 #SUP 0.59 #QF 0.59" 67 49 67 76 parsed_2nb6 1
68 "peak 292 #SUP 0.84 #QF 0.84" 68 49 68 76 parsed_2nb6 1
69 "peak 293 #SUP 0.71 #QF 0.71" 69 49 69 76 parsed_2nb6 1
70 "peak 299 #SUP 0.85 #QF 0.85" 70 49 70 76 parsed_2nb6 1
71 "peak 300 #SUP 0.99 #QF 0.99" 71 49 71 76 parsed_2nb6 1
72 "peak 308 #SUP 0.95 #QF 0.95" 72 49 72 76 parsed_2nb6 1
73 "peak 309 #SUP 1.00" 73 49 73 67 parsed_2nb6 1
74 "peak 310 #SUP 1.00" 74 49 74 67 parsed_2nb6 1
75 "peak 311 #SUP 1.00" 75 49 75 67 parsed_2nb6 1
76 "peak 316 #SUP 1.00" 76 49 76 67 parsed_2nb6 1
77 "peak 317 #SUP 1.00" 77 49 77 67 parsed_2nb6 1
78 "peak 318 #SUP 0.99 #QF 0.99" 78 49 78 76 parsed_2nb6 1
79 "peak 319 #SUP 0.99 #QF 0.99" 79 49 79 76 parsed_2nb6 1
80 "peak 320 #SUP 0.87 #QF 0.87" 80 49 80 76 parsed_2nb6 1
81 "peak 324 #SUP 0.99 #QF 0.99" 81 49 81 76 parsed_2nb6 1
82 "peak 327 #SUP 0.98 #QF 0.98" 82 49 82 76 parsed_2nb6 1
83 "peak 328 #SUP 0.99 #QF 0.29" 83 49 83 76 parsed_2nb6 1
84 "peak 333 #SUP 0.78 #QF 0.78" 84 49 84 76 parsed_2nb6 1
85 "peak 340 #SUP 0.99 #QF 0.99" 85 49 85 76 parsed_2nb6 1
86 "peak 341 #SUP 0.46 #QF 0.46" 86 49 86 76 parsed_2nb6 1
87 "peak 342 #SUP 0.61 #QF 0.61" 87 49 87 76 parsed_2nb6 1
88 "peak 343 #SUP 0.85 #QF 0.85" 88 49 88 76 parsed_2nb6 1
89 "peak 346 #SUP 0.67 #QF 0.67" 89 49 89 76 parsed_2nb6 1
90 "peak 347 #SUP 0.99 #QF 0.99" 90 49 90 76 parsed_2nb6 1
91 "peak 348 #SUP 0.87 #QF 0.30" 91 49 91 76 parsed_2nb6 1
92 "peak 349 #SUP 0.98 #QF 0.98" 92 49 92 76 parsed_2nb6 1
93 "peak 350 #SUP 1.00" 93 49 93 67 parsed_2nb6 1
94 "peak 351 #SUP 0.99 #QF 0.99" 94 49 94 76 parsed_2nb6 1
95 "peak 352 #SUP 1.00" 95 49 95 67 parsed_2nb6 1
96 "peak 353 #SUP 1.00" 96 49 96 67 parsed_2nb6 1
97 "peak 354 #SUP 1.00" 97 49 97 67 parsed_2nb6 1
98 "peak 355 #SUP 0.99 #QF 0.99" 98 49 98 76 parsed_2nb6 1
99 "peak 356 #SUP 1.00" 99 49 99 67 parsed_2nb6 1
100 "peak 358 #SUP 0.40 #QF 0.40" 100 49 100 76 parsed_2nb6 1
101 "peak 363 #SUP 1.00" 101 49 101 67 parsed_2nb6 1
102 "peak 364 #SUP 1.00" 102 49 102 67 parsed_2nb6 1
103 "peak 365 #SUP 1.00" 103 49 103 67 parsed_2nb6 1
104 "peak 366 #SUP 0.85 #QF 0.85" 104 49 104 76 parsed_2nb6 1
105 "peak 368 #SUP 0.99 #QF 0.96" 105 49 105 76 parsed_2nb6 1
106 "peak 369 #SUP 0.99 #QF 0.99" 106 49 106 76 parsed_2nb6 1
107 "peak 370 #SUP 0.96 #QF 0.96" 107 49 107 76 parsed_2nb6 1
108 "peak 371 #SUP 0.96 #QF 0.96" 108 49 108 76 parsed_2nb6 1
109 "peak 325" 109 49 109 57 parsed_2nb6 1
110 "peak 72" 110 49 110 56 parsed_2nb6 1
111 "peak 355" 111 49 111 57 parsed_2nb6 1
112 "peak 354" 112 49 112 57 parsed_2nb6 1
113 "peak 204" 113 49 113 57 parsed_2nb6 1
114 "peak 222" 114 49 114 57 parsed_2nb6 1
115 "peak 314" 115 49 115 57 parsed_2nb6 1
116 "peak 313" 116 49 116 57 parsed_2nb6 1
117 "peak 308" 117 49 117 57 parsed_2nb6 1
118 "peak 311" 118 49 118 57 parsed_2nb6 1
119 "peak 26" 119 49 119 56 parsed_2nb6 1
120 "peak 109" 120 49 120 57 parsed_2nb6 1
121 "peak 349" 121 49 121 57 parsed_2nb6 1
122 "peak 321" 122 49 122 57 parsed_2nb6 1
123 "peak 223" 123 49 123 57 parsed_2nb6 1
124 "peak 331" 124 49 124 57 parsed_2nb6 1
125 "peak 9" 125 49 125 55 parsed_2nb6 1
126 "14 ASP H 14 ASP QB 3.37 #peak 16" 126 2 126 57 parsed_2nb6 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2nb6
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_2nb6 2
2 1 . . . parsed_2nb6 2
3 1 . . . parsed_2nb6 2
4 1 . . . parsed_2nb6 2
5 1 . . . parsed_2nb6 2
6 1 . . . parsed_2nb6 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 . . . . . . . . . 3 TYR N parsed_2nb6 2
1 1 2 . . . . . . . . . 12 THR O parsed_2nb6 2
2 1 1 . . . . . . . . . 3 TYR H parsed_2nb6 2
2 1 2 . . . . . . . . . 12 THR O parsed_2nb6 2
3 1 1 . . . . . . . . . 5 VAL N parsed_2nb6 2
3 1 2 . . . . . . . . . 10 PHE O parsed_2nb6 2
4 1 1 . . . . . . . . . 5 VAL H parsed_2nb6 2
4 1 2 . . . . . . . . . 10 PHE O parsed_2nb6 2
5 1 1 . . . . . . . . . 12 THR N parsed_2nb6 2
5 1 2 . . . . . . . . . 3 TYR O parsed_2nb6 2
6 1 1 . . . . . . . . . 12 THR H parsed_2nb6 2
6 1 2 . . . . . . . . . 3 TYR O parsed_2nb6 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 . . . . . . . 3.3 parsed_2nb6 2
2 1 . . . . . . . 2.3 parsed_2nb6 2
3 1 . . . . . . . 3.3 parsed_2nb6 2
4 1 . . . . . . . 2.3 parsed_2nb6 2
5 1 . . . . . . . 3.3 parsed_2nb6 2
6 1 . . . . . . . 2.3 parsed_2nb6 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 "1 GLY weak" 1 1 1 12 parsed_2nb6 2
2 "5 TRP" 6 1 6 7 parsed_2nb6 2
3 "6 THR N 11 PHE O 3.3" 7 1 7 23 parsed_2nb6 2
4 "6 THR H 11 PHE O 2.3" 8 1 8 23 parsed_2nb6 2
5 "7 SER" 9 1 9 7 parsed_2nb6 2
6 "8 THR" 10 1 10 7 parsed_2nb6 2
7 "11 PHE H 9 PRO O 2.3" 11 1 11 22 parsed_2nb6 2
8 "11 PHE N 9 PRO O 3.3" 12 1 12 22 parsed_2nb6 2
9 "12 PHE" 13 1 13 8 parsed_2nb6 2
10 "14 CYSS" 16 2 16 10 parsed_2nb6 2
11 "15 THR N 2 ASP O 3.3" 17 2 17 23 parsed_2nb6 2
12 "15 THR H 2 ASP O 2.3" 18 2 18 23 parsed_2nb6 2
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2nb6
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.9 -106.5 . . 2 CYSS . . . . . . . . . . . . . parsed_2nb6 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.5 170.5 . . 2 CYSS . . . . . . . . . . . . . parsed_2nb6 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.5 -97.2 . . 3 TYR . . . . . . . . . . . . . parsed_2nb6 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.4 156.7 . . 3 TYR . . . . . . . . . . . . . parsed_2nb6 1
5 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.7 170.5 . . 4 PRO . . . . . . . . . . . . . parsed_2nb6 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.2 -66.6 . . 5 VAL . . . . . . . . . . . . . parsed_2nb6 1
7 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.8 168.1 . . 5 VAL . . . . . . . . . . . . . parsed_2nb6 1
8 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . . 5 VAL . . . . . . . . . . . . . parsed_2nb6 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.7 -42.9 . . 7 TYR . . . . . . . . . . . . . parsed_2nb6 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.2 182.1 . . 7 TYR . . . . . . . . . . . . . parsed_2nb6 1
11 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.0 173.0 . . 8 PRO . . . . . . . . . . . . . parsed_2nb6 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.5 165.5 . . 9 PRO . . . . . . . . . . . . . parsed_2nb6 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.1 -82.3 . . 11 PHE . . . . . . . . . . . . . parsed_2nb6 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.3 164.7 . . 11 PHE . . . . . . . . . . . . . parsed_2nb6 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.9 -74.5 . . 12 THR . . . . . . . . . . . . . parsed_2nb6 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.0 153.6 . . 12 THR . . . . . . . . . . . . . parsed_2nb6 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.9 -104.8 . . 13 CYSS . . . . . . . . . . . . . parsed_2nb6 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.9 172.9 . . 13 CYSS . . . . . . . . . . . . . parsed_2nb6 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.4 -55.9 . . 14 ASP . . . . . . . . . . . . . parsed_2nb6 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.2 171.7 . . 14 ASP . . . . . . . . . . . . . parsed_2nb6 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "2 c -126.712 150.540 10.108 6.971 0.775 0.825 25 8 Strong" 1 1 1 72 parsed_2nb6 1
2 "3 Y -118.354 122.551 10.586 17.075 0.773 0.842 25 9 Strong" 5 1 5 72 parsed_2nb6 1
3 "4 P -71.705 146.597 6.710 11.943 0.758 0.843 25 9 Strong" 9 1 9 72 parsed_2nb6 1
4 "4 PRO PHI -91.7 -51.7" 10 2 10 34 parsed_2nb6 1
5 "5 V -101.896 132.974 17.670 17.584 0.749 0.850 25 9 Strong" 13 1 13 72 parsed_2nb6 1
6 "6 P -68.367 141.186 9.384 19.928 0.813 0.848 25 9 Strong" 17 1 17 72 parsed_2nb6 1
7 "6 PRO PHI -88.4 -48.4" 18 2 18 34 parsed_2nb6 1
8 "6 PRO PSI 101.3 181.0" 19 2 19 34 parsed_2nb6 1
9 "7 Y -91.257 138.651 24.201 21.724 1.633 0.843 25 9 Strong" 21 1 21 72 parsed_2nb6 1
10 "8 P -64.443 152.997 6.757 7.757 1.206 0.816 25 9 Strong" 25 1 25 72 parsed_2nb6 1
11 "8 PRO PHI -84.4 -44.4" 26 2 26 34 parsed_2nb6 1
12 "9 P -65.303 145.522 6.859 7.634 1.003 0.806 25 9 Strong" 29 1 29 72 parsed_2nb6 1
13 "9 PRO PHI -85.3 -45.3" 30 2 30 34 parsed_2nb6 1
14 "11 F -111.223 140.535 14.445 12.098 0.926 0.870 25 9 Strong" 33 1 33 72 parsed_2nb6 1
15 "12 T -99.680 132.329 12.602 10.656 0.932 0.895 25 9 Strong" 37 1 37 72 parsed_2nb6 1
16 "13 c -127.825 152.874 11.524 7.840 0.900 0.906 25 9 Strong" 41 1 41 72 parsed_2nb6 1
17 "14 D -88.636 126.453 16.376 22.614 0.735 0.864 25 9 Strong" 45 1 45 72 parsed_2nb6 1
stop_
save_
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