NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
38070 |
1qrj   |
4311 | cing | 2-parsed | STAR | distance | NOE | simple | 124 |
data_1qrj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1qrj
_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_1qrj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1qrj
_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 1qrj "Master copy" parsed_1qrj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1qrj
_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 1qrj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 2 distance NOE simple 62 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 16 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 4 distance NOE simple 158 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 5 distance "hydrogen bond" simple 18 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 6 distance NOE simple 166 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 7 distance "hydrogen bond" simple 14 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 8 distance NOE simple 124 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 9 distance "hydrogen bond" simple 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 10 distance NOE simple 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 11 distance "hydrogen bond" simple 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 12 distance NOE simple 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 13 distance "hydrogen bond" simple 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 14 distance NOE simple 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 15 distance "hydrogen bond" simple 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 16 distance NOE simple 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 17 distance "hydrogen bond" simple 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 18 distance NOE simple 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 19 distance "hydrogen bond" simple 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 20 distance NOE simple 0 parsed_1qrj 1
1 1qrj.mr . . "MR format" 21 comment "Not applicable" "Not applicable" 0 parsed_1qrj 1
1 1qrj.mr . . "MR format" 22 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1qrj 1
stop_
save_
save_DYANA/DIANA_distance_constraints_8
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1qrj
_Distance_constraint_list.ID 1
_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_1qrj 1
2 1 . . . parsed_1qrj 1
3 1 . . . parsed_1qrj 1
4 1 . . . parsed_1qrj 1
5 1 . . . parsed_1qrj 1
6 1 . . . parsed_1qrj 1
7 1 . . . parsed_1qrj 1
8 1 . . . parsed_1qrj 1
9 1 . . . parsed_1qrj 1
10 1 . . . parsed_1qrj 1
11 1 . . . parsed_1qrj 1
12 1 . . . parsed_1qrj 1
13 1 . . . parsed_1qrj 1
14 1 . . . parsed_1qrj 1
15 1 . . . parsed_1qrj 1
16 1 . . . parsed_1qrj 1
17 1 . . . parsed_1qrj 1
18 1 . . . parsed_1qrj 1
19 1 . . . parsed_1qrj 1
20 1 . . . parsed_1qrj 1
21 1 . . . parsed_1qrj 1
22 1 . . . parsed_1qrj 1
23 1 . . . parsed_1qrj 1
24 1 . . . parsed_1qrj 1
25 1 . . . parsed_1qrj 1
26 1 . . . parsed_1qrj 1
27 1 . . . parsed_1qrj 1
28 1 . . . parsed_1qrj 1
29 1 . . . parsed_1qrj 1
30 1 . . . parsed_1qrj 1
31 1 . . . parsed_1qrj 1
32 1 . . . parsed_1qrj 1
33 1 . . . parsed_1qrj 1
34 1 . . . parsed_1qrj 1
35 1 . . . parsed_1qrj 1
36 1 . . . parsed_1qrj 1
37 1 . . . parsed_1qrj 1
38 1 . . . parsed_1qrj 1
39 1 . . . parsed_1qrj 1
40 1 . . . parsed_1qrj 1
41 1 . . . parsed_1qrj 1
42 1 . . . parsed_1qrj 1
43 1 . . . parsed_1qrj 1
44 1 . . . parsed_1qrj 1
45 1 . . . parsed_1qrj 1
46 1 . . . parsed_1qrj 1
47 1 . . . parsed_1qrj 1
48 1 . . . parsed_1qrj 1
49 1 . . . parsed_1qrj 1
50 1 . . . parsed_1qrj 1
51 1 . . . parsed_1qrj 1
52 1 . . . parsed_1qrj 1
53 1 . . . parsed_1qrj 1
54 1 . . . parsed_1qrj 1
55 1 . . . parsed_1qrj 1
56 1 . . . parsed_1qrj 1
57 1 . . . parsed_1qrj 1
58 1 . . . parsed_1qrj 1
59 1 . . . parsed_1qrj 1
60 1 . . . parsed_1qrj 1
61 1 . . . parsed_1qrj 1
62 1 . . . parsed_1qrj 1
63 1 . . . parsed_1qrj 1
64 1 . . . parsed_1qrj 1
65 1 . . . parsed_1qrj 1
66 1 . . . parsed_1qrj 1
67 1 . . . parsed_1qrj 1
68 1 . . . parsed_1qrj 1
69 1 . . . parsed_1qrj 1
70 1 . . . parsed_1qrj 1
71 1 . . . parsed_1qrj 1
72 1 . . . parsed_1qrj 1
73 1 . . . parsed_1qrj 1
74 1 . . . parsed_1qrj 1
75 1 . . . parsed_1qrj 1
76 1 . . . parsed_1qrj 1
77 1 . . . parsed_1qrj 1
78 1 . . . parsed_1qrj 1
79 1 . . . parsed_1qrj 1
80 1 . . . parsed_1qrj 1
81 1 . . . parsed_1qrj 1
82 1 . . . parsed_1qrj 1
83 1 . . . parsed_1qrj 1
84 1 . . . parsed_1qrj 1
85 1 . . . parsed_1qrj 1
86 1 . . . parsed_1qrj 1
87 1 . . . parsed_1qrj 1
88 1 . . . parsed_1qrj 1
89 1 . . . parsed_1qrj 1
90 1 . . . parsed_1qrj 1
91 1 . . . parsed_1qrj 1
92 1 . . . parsed_1qrj 1
93 1 . . . parsed_1qrj 1
94 1 . . . parsed_1qrj 1
95 1 . . . parsed_1qrj 1
96 1 . . . parsed_1qrj 1
97 1 . . . parsed_1qrj 1
98 1 . . . parsed_1qrj 1
99 1 . . . parsed_1qrj 1
100 1 . . . parsed_1qrj 1
101 1 . . . parsed_1qrj 1
102 1 . . . parsed_1qrj 1
103 1 . . . parsed_1qrj 1
104 1 . . . parsed_1qrj 1
105 1 . . . parsed_1qrj 1
106 1 . . . parsed_1qrj 1
107 1 . . . parsed_1qrj 1
108 1 . . . parsed_1qrj 1
109 1 . . . parsed_1qrj 1
110 1 . . . parsed_1qrj 1
111 1 . . . parsed_1qrj 1
112 1 . . . parsed_1qrj 1
113 1 . . . parsed_1qrj 1
114 1 . . . parsed_1qrj 1
115 1 . . . parsed_1qrj 1
116 1 . . . parsed_1qrj 1
117 1 . . . parsed_1qrj 1
118 1 . . . parsed_1qrj 1
119 1 . . . parsed_1qrj 1
120 1 . . . parsed_1qrj 1
121 1 . . . parsed_1qrj 1
122 1 . . . parsed_1qrj 1
123 1 . . . parsed_1qrj 1
124 1 . . . parsed_1qrj 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 . . . . . . . . . 52 ALA HA parsed_1qrj 1
1 1 2 . . . . . . . . . 52 ALA HN parsed_1qrj 1
2 1 1 . . . . . . . . . 52 ALA HA parsed_1qrj 1
2 1 2 . . . . . . . . . 53 LYS+ HN parsed_1qrj 1
3 1 1 . . . . . . . . . 52 ALA HN parsed_1qrj 1
3 1 2 . . . . . . . . . 53 LYS+ HN parsed_1qrj 1
4 1 1 . . . . . . . . . 52 ALA HN parsed_1qrj 1
4 1 2 . . . . . . . . . 54 ASP- HN parsed_1qrj 1
5 1 1 . . . . . . . . . 52 ALA HN parsed_1qrj 1
5 1 2 . . . . . . . . . 55 LEU HN parsed_1qrj 1
6 1 1 . . . . . . . . . 52 ALA HA parsed_1qrj 1
6 1 2 . . . . . . . . . 55 LEU HN parsed_1qrj 1
7 1 1 . . . . . . . . . 52 ALA HA parsed_1qrj 1
7 1 2 . . . . . . . . . 56 GLN HN parsed_1qrj 1
8 1 1 . . . . . . . . . 52 ALA HA parsed_1qrj 1
8 1 2 . . . . . . . . . 55 LEU QD1 parsed_1qrj 1
9 1 1 . . . . . . . . . 52 ALA HN parsed_1qrj 1
9 1 2 . . . . . . . . . 53 LYS+ QD parsed_1qrj 1
10 1 1 . . . . . . . . . 53 LYS+ HA parsed_1qrj 1
10 1 2 . . . . . . . . . 53 LYS+ HN parsed_1qrj 1
11 1 1 . . . . . . . . . 53 LYS+ HA parsed_1qrj 1
11 1 2 . . . . . . . . . 54 ASP- HN parsed_1qrj 1
12 1 1 . . . . . . . . . 53 LYS+ HN parsed_1qrj 1
12 1 2 . . . . . . . . . 54 ASP- HN parsed_1qrj 1
13 1 1 . . . . . . . . . 53 LYS+ HN parsed_1qrj 1
13 1 2 . . . . . . . . . 55 LEU HN parsed_1qrj 1
14 1 1 . . . . . . . . . 53 LYS+ HN parsed_1qrj 1
14 1 2 . . . . . . . . . 56 GLN HN parsed_1qrj 1
15 1 1 . . . . . . . . . 53 LYS+ HA parsed_1qrj 1
15 1 2 . . . . . . . . . 56 GLN HN parsed_1qrj 1
16 1 1 . . . . . . . . . 53 LYS+ HA parsed_1qrj 1
16 1 2 . . . . . . . . . 56 GLN QB parsed_1qrj 1
17 1 1 . . . . . . . . . 53 LYS+ HA parsed_1qrj 1
17 1 2 . . . . . . . . . 57 ASP- HN parsed_1qrj 1
18 1 1 . . . . . . . . . 53 LYS+ HA parsed_1qrj 1
18 1 2 . . . . . . . . . 56 GLN QG parsed_1qrj 1
19 1 1 . . . . . . . . . 53 LYS+ QG parsed_1qrj 1
19 1 2 . . . . . . . . . 56 GLN QG parsed_1qrj 1
20 1 1 . . . . . . . . . 54 ASP- HA parsed_1qrj 1
20 1 2 . . . . . . . . . 54 ASP- HN parsed_1qrj 1
21 1 1 . . . . . . . . . 54 ASP- HN parsed_1qrj 1
21 1 2 . . . . . . . . . 55 LEU HN parsed_1qrj 1
22 1 1 . . . . . . . . . 54 ASP- HA parsed_1qrj 1
22 1 2 . . . . . . . . . 55 LEU HN parsed_1qrj 1
23 1 1 . . . . . . . . . 54 ASP- HN parsed_1qrj 1
23 1 2 . . . . . . . . . 56 GLN HN parsed_1qrj 1
24 1 1 . . . . . . . . . 54 ASP- HN parsed_1qrj 1
24 1 2 . . . . . . . . . 57 ASP- HN parsed_1qrj 1
25 1 1 . . . . . . . . . 54 ASP- HA parsed_1qrj 1
25 1 2 . . . . . . . . . 57 ASP- HN parsed_1qrj 1
26 1 1 . . . . . . . . . 54 ASP- HA parsed_1qrj 1
26 1 2 . . . . . . . . . 57 ASP- HB2 parsed_1qrj 1
27 1 1 . . . . . . . . . 54 ASP- HA parsed_1qrj 1
27 1 2 . . . . . . . . . 57 ASP- HB3 parsed_1qrj 1
28 1 1 . . . . . . . . . 54 ASP- HA parsed_1qrj 1
28 1 2 . . . . . . . . . 58 LEU HN parsed_1qrj 1
29 1 1 . . . . . . . . . 54 ASP- HB3 parsed_1qrj 1
29 1 2 . . . . . . . . . 55 LEU QD2 parsed_1qrj 1
30 1 1 . . . . . . . . . 55 LEU HA parsed_1qrj 1
30 1 2 . . . . . . . . . 55 LEU HN parsed_1qrj 1
31 1 1 . . . . . . . . . 55 LEU HA parsed_1qrj 1
31 1 2 . . . . . . . . . 55 LEU QD1 parsed_1qrj 1
32 1 1 . . . . . . . . . 55 LEU HA parsed_1qrj 1
32 1 2 . . . . . . . . . 55 LEU QD2 parsed_1qrj 1
33 1 1 . . . . . . . . . 55 LEU HN parsed_1qrj 1
33 1 2 . . . . . . . . . 55 LEU QD2 parsed_1qrj 1
34 1 1 . . . . . . . . . 55 LEU HN parsed_1qrj 1
34 1 2 . . . . . . . . . 56 GLN HN parsed_1qrj 1
35 1 1 . . . . . . . . . 55 LEU HN parsed_1qrj 1
35 1 2 . . . . . . . . . 57 ASP- HN parsed_1qrj 1
36 1 1 . . . . . . . . . 55 LEU HN parsed_1qrj 1
36 1 2 . . . . . . . . . 58 LEU HN parsed_1qrj 1
37 1 1 . . . . . . . . . 55 LEU HA parsed_1qrj 1
37 1 2 . . . . . . . . . 58 LEU HN parsed_1qrj 1
38 1 1 . . . . . . . . . 55 LEU HA parsed_1qrj 1
38 1 2 . . . . . . . . . 58 LEU HB2 parsed_1qrj 1
39 1 1 . . . . . . . . . 55 LEU HA parsed_1qrj 1
39 1 2 . . . . . . . . . 58 LEU HB3 parsed_1qrj 1
40 1 1 . . . . . . . . . 55 LEU HA parsed_1qrj 1
40 1 2 . . . . . . . . . 58 LEU QD2 parsed_1qrj 1
41 1 1 . . . . . . . . . 55 LEU QD2 parsed_1qrj 1
41 1 2 . . . . . . . . . 58 LEU QD2 parsed_1qrj 1
42 1 1 . . . . . . . . . 56 GLN HA parsed_1qrj 1
42 1 2 . . . . . . . . . 56 GLN HN parsed_1qrj 1
43 1 1 . . . . . . . . . 56 GLN HN parsed_1qrj 1
43 1 2 . . . . . . . . . 57 ASP- HN parsed_1qrj 1
44 1 1 . . . . . . . . . 56 GLN HN parsed_1qrj 1
44 1 2 . . . . . . . . . 58 LEU HN parsed_1qrj 1
45 1 1 . . . . . . . . . 56 GLN HN parsed_1qrj 1
45 1 2 . . . . . . . . . 59 LEU HN parsed_1qrj 1
46 1 1 . . . . . . . . . 56 GLN HA parsed_1qrj 1
46 1 2 . . . . . . . . . 59 LEU HN parsed_1qrj 1
47 1 1 . . . . . . . . . 56 GLN HA parsed_1qrj 1
47 1 2 . . . . . . . . . 60 GLN HN parsed_1qrj 1
48 1 1 . . . . . . . . . 56 GLN HE22 parsed_1qrj 1
48 1 2 . . . . . . . . . 60 GLN QG parsed_1qrj 1
49 1 1 . . . . . . . . . 56 GLN HE22 parsed_1qrj 1
49 1 2 . . . . . . . . . 59 LEU QD2 parsed_1qrj 1
50 1 1 . . . . . . . . . 57 ASP- HA parsed_1qrj 1
50 1 2 . . . . . . . . . 57 ASP- HN parsed_1qrj 1
51 1 1 . . . . . . . . . 57 ASP- HN parsed_1qrj 1
51 1 2 . . . . . . . . . 58 LEU HN parsed_1qrj 1
52 1 1 . . . . . . . . . 57 ASP- HN parsed_1qrj 1
52 1 2 . . . . . . . . . 59 LEU HN parsed_1qrj 1
53 1 1 . . . . . . . . . 57 ASP- HN parsed_1qrj 1
53 1 2 . . . . . . . . . 60 GLN HN parsed_1qrj 1
54 1 1 . . . . . . . . . 57 ASP- HA parsed_1qrj 1
54 1 2 . . . . . . . . . 60 GLN HN parsed_1qrj 1
55 1 1 . . . . . . . . . 57 ASP- HA parsed_1qrj 1
55 1 2 . . . . . . . . . 60 GLN QB parsed_1qrj 1
56 1 1 . . . . . . . . . 57 ASP- HA parsed_1qrj 1
56 1 2 . . . . . . . . . 61 TYR HN parsed_1qrj 1
57 1 1 . . . . . . . . . 58 LEU HA parsed_1qrj 1
57 1 2 . . . . . . . . . 58 LEU HN parsed_1qrj 1
58 1 1 . . . . . . . . . 58 LEU HA parsed_1qrj 1
58 1 2 . . . . . . . . . 58 LEU QD1 parsed_1qrj 1
59 1 1 . . . . . . . . . 58 LEU HN parsed_1qrj 1
59 1 2 . . . . . . . . . 59 LEU HN parsed_1qrj 1
60 1 1 . . . . . . . . . 58 LEU HN parsed_1qrj 1
60 1 2 . . . . . . . . . 60 GLN HN parsed_1qrj 1
61 1 1 . . . . . . . . . 58 LEU HN parsed_1qrj 1
61 1 2 . . . . . . . . . 61 TYR HN parsed_1qrj 1
62 1 1 . . . . . . . . . 58 LEU HA parsed_1qrj 1
62 1 2 . . . . . . . . . 61 TYR HN parsed_1qrj 1
63 1 1 . . . . . . . . . 58 LEU HA parsed_1qrj 1
63 1 2 . . . . . . . . . 61 TYR HB2 parsed_1qrj 1
64 1 1 . . . . . . . . . 58 LEU HA parsed_1qrj 1
64 1 2 . . . . . . . . . 61 TYR HB3 parsed_1qrj 1
65 1 1 . . . . . . . . . 58 LEU HA parsed_1qrj 1
65 1 2 . . . . . . . . . 62 LEU HN parsed_1qrj 1
66 1 1 . . . . . . . . . 58 LEU QD1 parsed_1qrj 1
66 1 2 . . . . . . . . . 61 TYR HD1 parsed_1qrj 1
67 1 1 . . . . . . . . . 58 LEU QD1 parsed_1qrj 1
67 1 2 . . . . . . . . . 61 TYR HE1 parsed_1qrj 1
68 1 1 . . . . . . . . . 58 LEU QD2 parsed_1qrj 1
68 1 2 . . . . . . . . . 117 TRP HH2 parsed_1qrj 1
69 1 1 . . . . . . . . . 58 LEU QD2 parsed_1qrj 1
69 1 2 . . . . . . . . . 117 TRP HZ2 parsed_1qrj 1
70 1 1 . . . . . . . . . 58 LEU QD2 parsed_1qrj 1
70 1 2 . . . . . . . . . 117 TRP HZ3 parsed_1qrj 1
71 1 1 . . . . . . . . . 58 LEU QD1 parsed_1qrj 1
71 1 2 . . . . . . . . . 62 LEU HB3 parsed_1qrj 1
72 1 1 . . . . . . . . . 58 LEU QD1 parsed_1qrj 1
72 1 2 . . . . . . . . . 62 LEU HG parsed_1qrj 1
73 1 1 . . . . . . . . . 58 LEU QD1 parsed_1qrj 1
73 1 2 . . . . . . . . . 62 LEU QD1 parsed_1qrj 1
74 1 1 . . . . . . . . . 59 LEU HA parsed_1qrj 1
74 1 2 . . . . . . . . . 59 LEU HN parsed_1qrj 1
75 1 1 . . . . . . . . . 59 LEU HA parsed_1qrj 1
75 1 2 . . . . . . . . . 59 LEU QD2 parsed_1qrj 1
76 1 1 . . . . . . . . . 59 LEU HA parsed_1qrj 1
76 1 2 . . . . . . . . . 59 LEU QD1 parsed_1qrj 1
77 1 1 . . . . . . . . . 59 LEU HN parsed_1qrj 1
77 1 2 . . . . . . . . . 60 GLN HN parsed_1qrj 1
78 1 1 . . . . . . . . . 59 LEU HN parsed_1qrj 1
78 1 2 . . . . . . . . . 61 TYR HN parsed_1qrj 1
79 1 1 . . . . . . . . . 59 LEU HN parsed_1qrj 1
79 1 2 . . . . . . . . . 62 LEU HN parsed_1qrj 1
80 1 1 . . . . . . . . . 59 LEU HA parsed_1qrj 1
80 1 2 . . . . . . . . . 62 LEU HN parsed_1qrj 1
81 1 1 . . . . . . . . . 59 LEU HA parsed_1qrj 1
81 1 2 . . . . . . . . . 63 CYS HN parsed_1qrj 1
82 1 1 . . . . . . . . . 59 LEU QD2 parsed_1qrj 1
82 1 2 . . . . . . . . . 60 GLN HN parsed_1qrj 1
83 1 1 . . . . . . . . . 59 LEU QD1 parsed_1qrj 1
83 1 2 . . . . . . . . . 60 GLN HN parsed_1qrj 1
84 1 1 . . . . . . . . . 59 LEU QD1 parsed_1qrj 1
84 1 2 . . . . . . . . . 63 CYS HN parsed_1qrj 1
85 1 1 . . . . . . . . . 59 LEU QD1 parsed_1qrj 1
85 1 2 . . . . . . . . . 63 CYS QB parsed_1qrj 1
86 1 1 . . . . . . . . . 60 GLN HA parsed_1qrj 1
86 1 2 . . . . . . . . . 60 GLN HN parsed_1qrj 1
87 1 1 . . . . . . . . . 60 GLN HN parsed_1qrj 1
87 1 2 . . . . . . . . . 61 TYR HN parsed_1qrj 1
88 1 1 . . . . . . . . . 60 GLN HA parsed_1qrj 1
88 1 2 . . . . . . . . . 61 TYR HN parsed_1qrj 1
89 1 1 . . . . . . . . . 60 GLN HN parsed_1qrj 1
89 1 2 . . . . . . . . . 62 LEU HN parsed_1qrj 1
90 1 1 . . . . . . . . . 60 GLN HN parsed_1qrj 1
90 1 2 . . . . . . . . . 63 CYS HN parsed_1qrj 1
91 1 1 . . . . . . . . . 60 GLN HA parsed_1qrj 1
91 1 2 . . . . . . . . . 63 CYS HN parsed_1qrj 1
92 1 1 . . . . . . . . . 61 TYR HA parsed_1qrj 1
92 1 2 . . . . . . . . . 61 TYR HN parsed_1qrj 1
93 1 1 . . . . . . . . . 61 TYR HN parsed_1qrj 1
93 1 2 . . . . . . . . . 62 LEU HN parsed_1qrj 1
94 1 1 . . . . . . . . . 61 TYR HA parsed_1qrj 1
94 1 2 . . . . . . . . . 62 LEU HN parsed_1qrj 1
95 1 1 . . . . . . . . . 61 TYR HN parsed_1qrj 1
95 1 2 . . . . . . . . . 63 CYS HN parsed_1qrj 1
96 1 1 . . . . . . . . . 61 TYR HA parsed_1qrj 1
96 1 2 . . . . . . . . . 61 TYR HD1 parsed_1qrj 1
97 1 1 . . . . . . . . . 61 TYR HA parsed_1qrj 1
97 1 2 . . . . . . . . . 61 TYR HE1 parsed_1qrj 1
98 1 1 . . . . . . . . . 61 TYR HB2 parsed_1qrj 1
98 1 2 . . . . . . . . . 61 TYR HD1 parsed_1qrj 1
99 1 1 . . . . . . . . . 61 TYR HB3 parsed_1qrj 1
99 1 2 . . . . . . . . . 61 TYR HD1 parsed_1qrj 1
100 1 1 . . . . . . . . . 61 TYR HD1 parsed_1qrj 1
100 1 2 . . . . . . . . . 62 LEU QD1 parsed_1qrj 1
101 1 1 . . . . . . . . . 61 TYR HD1 parsed_1qrj 1
101 1 2 . . . . . . . . . 62 LEU QD2 parsed_1qrj 1
102 1 1 . . . . . . . . . 61 TYR HE1 parsed_1qrj 1
102 1 2 . . . . . . . . . 62 LEU QD1 parsed_1qrj 1
103 1 1 . . . . . . . . . 61 TYR HE1 parsed_1qrj 1
103 1 2 . . . . . . . . . 62 LEU QD2 parsed_1qrj 1
104 1 1 . . . . . . . . . 61 TYR HN parsed_1qrj 1
104 1 2 . . . . . . . . . 61 TYR HD1 parsed_1qrj 1
105 1 1 . . . . . . . . . 61 TYR HD1 parsed_1qrj 1
105 1 2 . . . . . . . . . 62 LEU HN parsed_1qrj 1
106 1 1 . . . . . . . . . 62 LEU HA parsed_1qrj 1
106 1 2 . . . . . . . . . 62 LEU HN parsed_1qrj 1
107 1 1 . . . . . . . . . 62 LEU HA parsed_1qrj 1
107 1 2 . . . . . . . . . 63 CYS HN parsed_1qrj 1
108 1 1 . . . . . . . . . 62 LEU HN parsed_1qrj 1
108 1 2 . . . . . . . . . 63 CYS HN parsed_1qrj 1
109 1 1 . . . . . . . . . 62 LEU HB2 parsed_1qrj 1
109 1 2 . . . . . . . . . 63 CYS HN parsed_1qrj 1
110 1 1 . . . . . . . . . 62 LEU HB3 parsed_1qrj 1
110 1 2 . . . . . . . . . 63 CYS HN parsed_1qrj 1
111 1 1 . . . . . . . . . 63 CYS HA parsed_1qrj 1
111 1 2 . . . . . . . . . 63 CYS HN parsed_1qrj 1
112 1 1 . . . . . . . . . 63 CYS HA parsed_1qrj 1
112 1 2 . . . . . . . . . 64 SER HN parsed_1qrj 1
113 1 1 . . . . . . . . . 63 CYS HN parsed_1qrj 1
113 1 2 . . . . . . . . . 64 SER HN parsed_1qrj 1
114 1 1 . . . . . . . . . 63 CYS HA parsed_1qrj 1
114 1 2 . . . . . . . . . 67 VAL HB parsed_1qrj 1
115 1 1 . . . . . . . . . 63 CYS QB parsed_1qrj 1
115 1 2 . . . . . . . . . 67 VAL HB parsed_1qrj 1
116 1 1 . . . . . . . . . 63 CYS QB parsed_1qrj 1
116 1 2 . . . . . . . . . 67 VAL QG1 parsed_1qrj 1
117 1 1 . . . . . . . . . 63 CYS HA parsed_1qrj 1
117 1 2 . . . . . . . . . 67 VAL QG1 parsed_1qrj 1
118 1 1 . . . . . . . . . 63 CYS HN parsed_1qrj 1
118 1 2 . . . . . . . . . 67 VAL QG1 parsed_1qrj 1
119 1 1 . . . . . . . . . 63 CYS QB parsed_1qrj 1
119 1 2 . . . . . . . . . 68 ALA QB parsed_1qrj 1
120 1 1 . . . . . . . . . 64 SER HA parsed_1qrj 1
120 1 2 . . . . . . . . . 64 SER HN parsed_1qrj 1
121 1 1 . . . . . . . . . 64 SER HA parsed_1qrj 1
121 1 2 . . . . . . . . . 65 SER HN parsed_1qrj 1
122 1 1 . . . . . . . . . 64 SER HN parsed_1qrj 1
122 1 2 . . . . . . . . . 67 VAL QG2 parsed_1qrj 1
123 1 1 . . . . . . . . . 64 SER HN parsed_1qrj 1
123 1 2 . . . . . . . . . 67 VAL QG1 parsed_1qrj 1
124 1 1 . . . . . . . . . 64 SER HN parsed_1qrj 1
124 1 2 . . . . . . . . . 68 ALA QB parsed_1qrj 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 5.5 parsed_1qrj 1
2 1 . . . . . . . 5.5 parsed_1qrj 1
3 1 . . . . . . . 2.9 parsed_1qrj 1
4 1 . . . . . . . 5.0 parsed_1qrj 1
5 1 . . . . . . . 5.5 parsed_1qrj 1
6 1 . . . . . . . 5.0 parsed_1qrj 1
7 1 . . . . . . . 5.0 parsed_1qrj 1
8 1 . . . . . . . 3.30 parsed_1qrj 1
9 1 . . . . . . . 5.5 parsed_1qrj 1
10 1 . . . . . . . 5.0 parsed_1qrj 1
11 1 . . . . . . . 5.0 parsed_1qrj 1
12 1 . . . . . . . 2.9 parsed_1qrj 1
13 1 . . . . . . . 5.0 parsed_1qrj 1
14 1 . . . . . . . 5.5 parsed_1qrj 1
15 1 . . . . . . . 5.0 parsed_1qrj 1
16 1 . . . . . . . 3.3 parsed_1qrj 1
17 1 . . . . . . . 5.0 parsed_1qrj 1
18 1 . . . . . . . 3.8 parsed_1qrj 1
19 1 . . . . . . . 5.5 parsed_1qrj 1
20 1 . . . . . . . 5.0 parsed_1qrj 1
21 1 . . . . . . . 2.9 parsed_1qrj 1
22 1 . . . . . . . 5.0 parsed_1qrj 1
23 1 . . . . . . . 5.0 parsed_1qrj 1
24 1 . . . . . . . 5.5 parsed_1qrj 1
25 1 . . . . . . . 5.0 parsed_1qrj 1
26 1 . . . . . . . 5.0 parsed_1qrj 1
27 1 . . . . . . . 5.0 parsed_1qrj 1
28 1 . . . . . . . 5.0 parsed_1qrj 1
29 1 . . . . . . . 5.5 parsed_1qrj 1
30 1 . . . . . . . 5.0 parsed_1qrj 1
31 1 . . . . . . . 5.5 parsed_1qrj 1
32 1 . . . . . . . 3.3 parsed_1qrj 1
33 1 . . . . . . . 3.8 parsed_1qrj 1
34 1 . . . . . . . 2.9 parsed_1qrj 1
35 1 . . . . . . . 5.0 parsed_1qrj 1
36 1 . . . . . . . 5.0 parsed_1qrj 1
37 1 . . . . . . . 5.0 parsed_1qrj 1
38 1 . . . . . . . 5.0 parsed_1qrj 1
39 1 . . . . . . . 5.0 parsed_1qrj 1
40 1 . . . . . . . 3.3 parsed_1qrj 1
41 1 . . . . . . . 3.30 parsed_1qrj 1
42 1 . . . . . . . 5.0 parsed_1qrj 1
43 1 . . . . . . . 2.9 parsed_1qrj 1
44 1 . . . . . . . 5.0 parsed_1qrj 1
45 1 . . . . . . . 5.0 parsed_1qrj 1
46 1 . . . . . . . 5.5 parsed_1qrj 1
47 1 . . . . . . . 5.0 parsed_1qrj 1
48 1 . . . . . . . 5.0 parsed_1qrj 1
49 1 . . . . . . . 5.0 parsed_1qrj 1
50 1 . . . . . . . 3.3 parsed_1qrj 1
51 1 . . . . . . . 2.9 parsed_1qrj 1
52 1 . . . . . . . 5.0 parsed_1qrj 1
53 1 . . . . . . . 5.0 parsed_1qrj 1
54 1 . . . . . . . 5.0 parsed_1qrj 1
55 1 . . . . . . . 3.3 parsed_1qrj 1
56 1 . . . . . . . 5.0 parsed_1qrj 1
57 1 . . . . . . . 3.3 parsed_1qrj 1
58 1 . . . . . . . 3.3 parsed_1qrj 1
59 1 . . . . . . . 2.9 parsed_1qrj 1
60 1 . . . . . . . 5.0 parsed_1qrj 1
61 1 . . . . . . . 5.5 parsed_1qrj 1
62 1 . . . . . . . 5.0 parsed_1qrj 1
63 1 . . . . . . . 5.0 parsed_1qrj 1
64 1 . . . . . . . 5.0 parsed_1qrj 1
65 1 . . . . . . . 5.0 parsed_1qrj 1
66 1 . . . . . . . 3.3 parsed_1qrj 1
67 1 . . . . . . . 5.5 parsed_1qrj 1
68 1 . . . . . . . 5.0 parsed_1qrj 1
69 1 . . . . . . . 5.0 parsed_1qrj 1
70 1 . . . . . . . 5.50 parsed_1qrj 1
71 1 . . . . . . . 5.5 parsed_1qrj 1
72 1 . . . . . . . 5.0 parsed_1qrj 1
73 1 . . . . . . . 3.3 parsed_1qrj 1
74 1 . . . . . . . 3.3 parsed_1qrj 1
75 1 . . . . . . . 5.5 parsed_1qrj 1
76 1 . . . . . . . 3.3 parsed_1qrj 1
77 1 . . . . . . . 2.9 parsed_1qrj 1
78 1 . . . . . . . 5.0 parsed_1qrj 1
79 1 . . . . . . . 5.0 parsed_1qrj 1
80 1 . . . . . . . 5.0 parsed_1qrj 1
81 1 . . . . . . . 5.0 parsed_1qrj 1
82 1 . . . . . . . 5.50 parsed_1qrj 1
83 1 . . . . . . . 5.50 parsed_1qrj 1
84 1 . . . . . . . 5.00 parsed_1qrj 1
85 1 . . . . . . . 5.00 parsed_1qrj 1
86 1 . . . . . . . 3.3 parsed_1qrj 1
87 1 . . . . . . . 2.9 parsed_1qrj 1
88 1 . . . . . . . 5.0 parsed_1qrj 1
89 1 . . . . . . . 5.0 parsed_1qrj 1
90 1 . . . . . . . 5.5 parsed_1qrj 1
91 1 . . . . . . . 5.0 parsed_1qrj 1
92 1 . . . . . . . 3.3 parsed_1qrj 1
93 1 . . . . . . . 2.9 parsed_1qrj 1
94 1 . . . . . . . 5.0 parsed_1qrj 1
95 1 . . . . . . . 5.00 parsed_1qrj 1
96 1 . . . . . . . 2.70 parsed_1qrj 1
97 1 . . . . . . . 3.30 parsed_1qrj 1
98 1 . . . . . . . 3.30 parsed_1qrj 1
99 1 . . . . . . . 3.30 parsed_1qrj 1
100 1 . . . . . . . 5.00 parsed_1qrj 1
101 1 . . . . . . . 3.30 parsed_1qrj 1
102 1 . . . . . . . 5.50 parsed_1qrj 1
103 1 . . . . . . . 3.30 parsed_1qrj 1
104 1 . . . . . . . 3.30 parsed_1qrj 1
105 1 . . . . . . . 5.50 parsed_1qrj 1
106 1 . . . . . . . 5.0 parsed_1qrj 1
107 1 . . . . . . . 5.50 parsed_1qrj 1
108 1 . . . . . . . 2.90 parsed_1qrj 1
109 1 . . . . . . . 3.30 parsed_1qrj 1
110 1 . . . . . . . 5.00 parsed_1qrj 1
111 1 . . . . . . . 3.3 parsed_1qrj 1
112 1 . . . . . . . 3.3 parsed_1qrj 1
113 1 . . . . . . . 5.00 parsed_1qrj 1
114 1 . . . . . . . 5.50 parsed_1qrj 1
115 1 . . . . . . . 5.00 parsed_1qrj 1
116 1 . . . . . . . 5.00 parsed_1qrj 1
117 1 . . . . . . . 5.00 parsed_1qrj 1
118 1 . . . . . . . 5.00 parsed_1qrj 1
119 1 . . . . . . . 5.50 parsed_1qrj 1
120 1 . . . . . . . 3.3 parsed_1qrj 1
121 1 . . . . . . . 3.30 parsed_1qrj 1
122 1 . . . . . . . 5.00 parsed_1qrj 1
123 1 . . . . . . . 5.00 parsed_1qrj 1
124 1 . . . . . . . 5.50 parsed_1qrj 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 "------------ Main Chain ----------------------------" 1 1 1 54 parsed_1qrj 1
2 vw 6 35 6 38 parsed_1qrj 1
3 "52 ALA HA 55 LEU HB 3.3 # BETAS OF 55 ARE PROBABLY MISASSINGED" 8 1 8 73 parsed_1qrj 1
4 "------------ Side Chain ----------------------------" 10 1 10 54 parsed_1qrj 1
5 < 11 47 11 48 parsed_1qrj 1
6 "52 ALA HA 55 LEU QD2 5.00 1.00E+00 #>" 12 1 12 49 parsed_1qrj 1
7 "52 ALA QB 55 LEU HG 5.50 1.00E+00 #sd" 13 1 13 50 parsed_1qrj 1
8 "52 ALA QB 55 LEU QD1 5.50 1.00E+00 #sdviaha" 14 1 14 55 parsed_1qrj 1
9 3d 15 36 15 38 parsed_1qrj 1
10 "------------ Main Chain ----------------------------" 16 1 16 54 parsed_1qrj 1
11 vw 21 36 21 39 parsed_1qrj 1
12 "------------ Side Chain ----------------------------" 25 1 25 54 parsed_1qrj 1
13 sdqb 26 36 26 40 parsed_1qrj 1
14 "------------ Main Chain ----------------------------" 29 1 29 54 parsed_1qrj 1
15 med 32 36 32 40 parsed_1qrj 1
16 sd 34 37 34 39 parsed_1qrj 1
17 WEAK 36 38 36 43 parsed_1qrj 1
18 WEAK 37 38 37 43 parsed_1qrj 1
19 "------------ Side Chain ----------------------------" 39 1 39 54 parsed_1qrj 1
20 "54 ASP- HB2 55 LEU QD2 5.5 #>" 40 1 40 40 parsed_1qrj 1
21 < 41 38 41 39 parsed_1qrj 1
22 "------------ Main Chain ----------------------------" 43 1 43 54 parsed_1qrj 1
23 > 45 36 45 37 parsed_1qrj 1
24 < 46 36 46 37 parsed_1qrj 1
25 "55 LEU HN 55 LEU QD1 5.5 #>" 47 1 47 38 parsed_1qrj 1
26 < 48 36 48 37 parsed_1qrj 1
27 "55 LEU HA 56 GLN HN # NONE #" 49 1 49 39 parsed_1qrj 1
28 WEAK 54 36 54 41 parsed_1qrj 1
29 WEAK 55 36 55 41 parsed_1qrj 1
30 < 56 36 56 37 parsed_1qrj 1
31 "55 LEU HA 59 LEU HN 5.0 # not present" 57 1 57 48 parsed_1qrj 1
32 "------Side Chain (AIss=>qd1=0.42/26;qd2=-0.55/20.8)----" 58 1 58 57 parsed_1qrj 1
33 "55 LEU QD1 58 LEU QD2 5.50 1.00E+00 #>sd" 59 1 59 48 parsed_1qrj 1
34 < 60 44 60 45 parsed_1qrj 1
35 "------------ Main Chain ----------------------------" 62 1 62 54 parsed_1qrj 1
36 "56 GLN HA 57 ASP- HN 5.0 #" 64 1 64 37 parsed_1qrj 1
37 sd 68 35 68 37 parsed_1qrj 1
38 "56 GLN HA 59 LEU HB 3.3 # not present" 69 1 69 48 parsed_1qrj 1
39 "------------ Side Chain ----------------------------" 71 1 71 54 parsed_1qrj 1
40 "------------ Main Chain ----------------------------" 75 1 75 54 parsed_1qrj 1
41 "57 ASP- HA 58 LEU HN 5.0 #" 77 1 77 38 parsed_1qrj 1
42 "------------ Side Chain ----------------------------" 84 1 84 54 parsed_1qrj 1
43 "------------ Main Chain ----------------------------" 86 1 86 54 parsed_1qrj 1
44 "58 LEU HA 58 LEU QD2 3.8 #>" 88 1 88 37 parsed_1qrj 1
45 < 89 35 89 36 parsed_1qrj 1
46 "58 LEU HA 59 LEU HN 5.0 #" 90 1 90 37 parsed_1qrj 1
47 vw 93 35 93 38 parsed_1qrj 1
48 VW 95 35 95 38 parsed_1qrj 1
49 VW 96 35 96 38 parsed_1qrj 1
50 "----Side Chain (REss=>qd1=0.96/24.3;qd2=0.66/25.7)--------" 98 1 98 60 parsed_1qrj 1
51 o 99 36 99 37 parsed_1qrj 1
52 o,vw 100 36 100 40 parsed_1qrj 1
53 "58 LEU QD2 61 TYR HE1 5.5 #o,vw" 101 1 101 41 parsed_1qrj 1
54 >vw 103 36 103 39 parsed_1qrj 1
55 "58 LEU QD1 117 TRP HH2 5.5 #<" 104 1 104 38 parsed_1qrj 1
56 >vw 105 36 105 39 parsed_1qrj 1
57 "58 LEU QD1 117 TRP HZ2 5.5 #<" 106 1 106 38 parsed_1qrj 1
58 < 107 37 107 38 parsed_1qrj 1
59 "58 LEU QD1 62 LEU HA 5.5 #sd" 109 1 109 39 parsed_1qrj 1
60 o 110 36 110 37 parsed_1qrj 1
61 o 111 36 111 37 parsed_1qrj 1
62 o/over 112 36 112 42 parsed_1qrj 1
63 "------------ Main Chain ----------------------------" 114 1 114 54 parsed_1qrj 1
64 "59 LEU HN 59 LEU QD2 5.5 #>" 116 1 116 38 parsed_1qrj 1
65 "59 LEU HN 59 LEU QD1 3.8 # 118 36 118 37 parsed_1qrj 1
67 < 119 36 119 37 parsed_1qrj 1
68 "59 LEU HA 60 GLN HN 5.0 #" 120 1 120 37 parsed_1qrj 1
69 "59 LEU HA 62 LEU HB 3.3 # not present" 125 1 125 48 parsed_1qrj 1
70 "added new" 126 35 126 45 parsed_1qrj 1
71 "--------Side Chain (REss=>qd1=0.56/24.4;qd2=1.03/27.5)----" 127 1 127 59 parsed_1qrj 1
72 @ 128 46 128 49 parsed_1qrj 1
73 @ 129 46 129 49 parsed_1qrj 1
74 "59 LEU QD1 62 LEU HN 5.50 1.00E+00 #sdhn63" 130 1 130 51 parsed_1qrj 1
75 "59 LEU QD1 63 CYS HA 5.5 #sd" 131 1 131 38 parsed_1qrj 1
76 @ 132 47 132 50 parsed_1qrj 1
77 "59 LEU QD2 63 CYS HN 5.00 1.00E+00 # #@" 133 1 133 51 parsed_1qrj 1
78 @ 134 47 134 50 parsed_1qrj 1
79 "------------ Main Chain ----------------------------" 136 1 136 54 parsed_1qrj 1
80 over 141 35 141 40 parsed_1qrj 1
81 "added new" 142 35 142 45 parsed_1qrj 1
82 "60 GLN HA 63 CYS QB #notpresent" 143 1 143 41 parsed_1qrj 1
83 "------------ Side Chain ----------------------------" 144 1 144 54 parsed_1qrj 1
84 "------------ Main Chain ----------------------------" 146 1 146 54 parsed_1qrj 1
85 "61 TYR HA 63 CYS HN 5.0 # not present!" 150 1 150 49 parsed_1qrj 1
86 @ 151 46 151 49 parsed_1qrj 1
87 "------------ Side Chain ----------------------------" 152 1 152 54 parsed_1qrj 1
88 "##" 153 47 153 51 parsed_1qrj 1
89 "##" 154 47 154 51 parsed_1qrj 1
90 "61 TYR HA 62 LEU QD1 5.50 1.00E+00 # ###s,d" 155 1 155 55 parsed_1qrj 1
91 "61 TYR HA 62 LEU QD2 5.50 1.00E+00 # ###s,d" 156 1 156 55 parsed_1qrj 1
92 "##" 157 47 157 51 parsed_1qrj 1
93 "61 TYR HB2 62 LEU QD1 5.50 1.00E+00 # ###sd" 158 1 158 54 parsed_1qrj 1
94 "##" 159 47 159 51 parsed_1qrj 1
95 "61 TYR HB3 62 LEU QD1 5.50 1.00E+00 # ###sd" 160 1 160 54 parsed_1qrj 1
96 "61 TYR HB3 62 LEU QD2 5.50 1.00E+00 # ###sd" 161 1 161 54 parsed_1qrj 1
97 "##" 162 47 162 51 parsed_1qrj 1
98 "##" 163 47 163 51 parsed_1qrj 1
99 "61 TYR HE1 62 LEU HA 5.50 1.00E+00 # ###sd" 164 1 164 54 parsed_1qrj 1
100 "##" 165 47 165 51 parsed_1qrj 1
101 "##" 166 47 166 51 parsed_1qrj 1
102 3d 167 47 167 49 parsed_1qrj 1
103 "61 TYR HN 62 LEU QD1 5.50 1.00E+00 #sd" 168 1 168 50 parsed_1qrj 1
104 "61 TYR HN 62 LEU QD2 5.50 1.00E+00 #sd" 169 1 169 50 parsed_1qrj 1
105 "##" 170 47 170 51 parsed_1qrj 1
106 "------------ Main Chain ----------------------------" 172 1 172 54 parsed_1qrj 1
107 "from 3.3" 175 45 175 55 parsed_1qrj 1
108 "--------Side Chain (AIss=>qd1=0.89/26.2;qd2=0.91/22.8)----" 176 1 176 60 parsed_1qrj 1
109 < 177 46 177 47 parsed_1qrj 1
110 > 178 46 178 47 parsed_1qrj 1
111 "##############################################" 180 1 180 48 parsed_1qrj 1
112 "~~~~~~~~~~~~~LOOP-III (63-64)~~~~~~~~~~~" 181 1 181 41 parsed_1qrj 1
113 "##############################################" 182 1 182 48 parsed_1qrj 1
114 "------------ Main Chain ----------------------------" 184 1 184 54 parsed_1qrj 1
115 @ 187 47 187 50 parsed_1qrj 1
116 "63 CYS HN 68 ALA QB 5.50 1.00E+00 #sdviaqb" 188 1 188 54 parsed_1qrj 1
117 "63 CYS HN 69 SER QB 5.50 1.00E+00 # noise" 189 1 189 54 parsed_1qrj 1
118 "------------ Side Chain ----------------------------" 190 1 190 54 parsed_1qrj 1
119 vw 191 46 191 48 parsed_1qrj 1
120 @ 192 46 192 49 parsed_1qrj 1
121 "63 CYS QB 67 VAL QG2 5.50 1.00E+00 # #@>" 194 1 194 51 parsed_1qrj 1
122 @< 195 46 195 50 parsed_1qrj 1
123 "63 CYS HA 67 VAL QG2 5.50 1.00E+00 # #@>" 197 1 197 51 parsed_1qrj 1
124 @< 198 46 198 50 parsed_1qrj 1
125 "63 CYS HN 67 VAL QG2 5.50 1.00E+00 #vw>" 200 1 200 50 parsed_1qrj 1
126 w< 201 46 201 48 parsed_1qrj 1
127 "63 CYS HA 68 ALA QB 5.50#sdviaqb" 203 1 203 45 parsed_1qrj 1
128 "------------ Main Chain ----------------------------" 205 1 205 54 parsed_1qrj 1
129 @ 207 47 207 50 parsed_1qrj 1
130 "64 SER HN 65 SER HN #ov, but seems weak" 208 1 208 51 parsed_1qrj 1
131 < 209 47 209 48 parsed_1qrj 1
132 > 210 47 210 48 parsed_1qrj 1
133 @ 211 47 211 50 parsed_1qrj 1
stop_
save_
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