NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
581098 |
2mnu   |
19906 | cing | 2-parsed | STAR | distance | NOE | simple | 107 |
data_2mnu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mnu
_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_2mnu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mnu
_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 2mnu "Master copy" parsed_2mnu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mnu
_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 2mnu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mnu 1
1 2mnu.mr . . XPLOR/CNS 2 distance NOE simple 1503 parsed_2mnu 1
1 2mnu.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 4 parsed_2mnu 1
1 2mnu.mr . . XPLOR/CNS 4 distance NOE simple 107 parsed_2mnu 1
1 2mnu.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2mnu 1
1 2mnu.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2mnu 1
1 2mnu.mr . . XPLOR/CNS 7 unknown "Not applicable" "Not applicable" 0 parsed_2mnu 1
1 2mnu.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mnu 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mnu
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_2mnu 1
2 1 . . . parsed_2mnu 1
3 1 . . . parsed_2mnu 1
4 1 . . . parsed_2mnu 1
5 1 . . . parsed_2mnu 1
6 1 . . . parsed_2mnu 1
7 1 . . . parsed_2mnu 1
8 1 . . . parsed_2mnu 1
9 1 . . . parsed_2mnu 1
10 1 . . . parsed_2mnu 1
11 1 . . . parsed_2mnu 1
12 1 . . . parsed_2mnu 1
13 1 . . . parsed_2mnu 1
14 1 . . . parsed_2mnu 1
15 1 . . . parsed_2mnu 1
16 1 . . . parsed_2mnu 1
17 1 . . . parsed_2mnu 1
18 1 . . . parsed_2mnu 1
19 1 . . . parsed_2mnu 1
20 1 . . . parsed_2mnu 1
21 1 . . . parsed_2mnu 1
22 1 . . . parsed_2mnu 1
23 1 . . . parsed_2mnu 1
24 1 . . . parsed_2mnu 1
25 1 . . . parsed_2mnu 1
26 1 . . . parsed_2mnu 1
27 1 . . . parsed_2mnu 1
28 1 . . . parsed_2mnu 1
29 1 . . . parsed_2mnu 1
30 1 . . . parsed_2mnu 1
31 1 . . . parsed_2mnu 1
32 1 . . . parsed_2mnu 1
33 1 . . . parsed_2mnu 1
34 1 . . . parsed_2mnu 1
35 1 . . . parsed_2mnu 1
36 1 . . . parsed_2mnu 1
37 1 . . . parsed_2mnu 1
38 1 . . . parsed_2mnu 1
39 1 . . . parsed_2mnu 1
40 1 . . . parsed_2mnu 1
41 1 . . . parsed_2mnu 1
42 1 . . . parsed_2mnu 1
43 1 . . . parsed_2mnu 1
44 1 . . . parsed_2mnu 1
45 1 . . . parsed_2mnu 1
46 1 . . . parsed_2mnu 1
47 1 . . . parsed_2mnu 1
48 1 . . . parsed_2mnu 1
49 1 . . . parsed_2mnu 1
50 1 . . . parsed_2mnu 1
51 1 . . . parsed_2mnu 1
52 1 . . . parsed_2mnu 1
53 1 . . . parsed_2mnu 1
54 1 . . . parsed_2mnu 1
55 1 . . . parsed_2mnu 1
56 1 . . . parsed_2mnu 1
57 1 . . . parsed_2mnu 1
58 1 . . . parsed_2mnu 1
59 1 . . . parsed_2mnu 1
60 1 . . . parsed_2mnu 1
61 1 . . . parsed_2mnu 1
62 1 . . . parsed_2mnu 1
63 1 . . . parsed_2mnu 1
64 1 . . . parsed_2mnu 1
65 1 . . . parsed_2mnu 1
66 1 . . . parsed_2mnu 1
67 1 . . . parsed_2mnu 1
68 1 . . . parsed_2mnu 1
69 1 . . . parsed_2mnu 1
70 1 . . . parsed_2mnu 1
71 1 . . . parsed_2mnu 1
72 1 . . . parsed_2mnu 1
73 1 . . . parsed_2mnu 1
74 1 . . . parsed_2mnu 1
75 1 . . . parsed_2mnu 1
76 1 . . . parsed_2mnu 1
77 1 . . . parsed_2mnu 1
78 1 . . . parsed_2mnu 1
79 1 . . . parsed_2mnu 1
80 1 . . . parsed_2mnu 1
81 1 . . . parsed_2mnu 1
82 1 . . . parsed_2mnu 1
83 1 . . . parsed_2mnu 1
84 1 . . . parsed_2mnu 1
85 1 . . . parsed_2mnu 1
86 1 . . . parsed_2mnu 1
87 1 . . . parsed_2mnu 1
88 1 . . . parsed_2mnu 1
89 1 . . . parsed_2mnu 1
90 1 . . . parsed_2mnu 1
91 1 . . . parsed_2mnu 1
92 1 . . . parsed_2mnu 1
93 1 . . . parsed_2mnu 1
94 1 . . . parsed_2mnu 1
95 1 . . . parsed_2mnu 1
96 1 . . . parsed_2mnu 1
97 1 . . . parsed_2mnu 1
98 1 . . . parsed_2mnu 1
99 1 . . . parsed_2mnu 1
100 1 . . . parsed_2mnu 1
101 1 . . . parsed_2mnu 1
102 1 . . . parsed_2mnu 1
103 1 . . . parsed_2mnu 1
104 1 . . . parsed_2mnu 1
105 1 . . . parsed_2mnu 1
106 1 . . . parsed_2mnu 1
107 1 . . . parsed_2mnu 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 . . . . . . . . . 17 . HA parsed_2mnu 1
1 1 2 . . . . . . . . . 224 . HG parsed_2mnu 1
2 1 1 . . . . . . . . . 17 . HN parsed_2mnu 1
2 1 2 . . . . . . . . . 224 . HG parsed_2mnu 1
3 1 1 . . . . . . . . . 72 . HB2 parsed_2mnu 1
3 1 2 . . . . . . . . . 222 . HG2# parsed_2mnu 1
4 1 1 . . . . . . . . . 73 . HB1 parsed_2mnu 1
4 1 2 . . . . . . . . . 222 . HB parsed_2mnu 1
5 1 1 . . . . . . . . . 74 . HA parsed_2mnu 1
5 1 2 . . . . . . . . . 222 . HA parsed_2mnu 1
6 1 1 . . . . . . . . . 76 . HA parsed_2mnu 1
6 1 2 . . . . . . . . . 217 . HG2# parsed_2mnu 1
7 1 1 . . . . . . . . . 76 . HA parsed_2mnu 1
7 1 2 . . . . . . . . . 219 . HA parsed_2mnu 1
8 1 1 . . . . . . . . . 77 . HN parsed_2mnu 1
8 1 2 . . . . . . . . . 217 . HG2# parsed_2mnu 1
9 1 1 . . . . . . . . . 77 . HA parsed_2mnu 1
9 1 2 . . . . . . . . . 218 . HB1 parsed_2mnu 1
10 1 1 . . . . . . . . . 77 . HB parsed_2mnu 1
10 1 2 . . . . . . . . . 218 . HB1 parsed_2mnu 1
11 1 1 . . . . . . . . . 77 . HN parsed_2mnu 1
11 1 2 . . . . . . . . . 218 . HB1 parsed_2mnu 1
12 1 1 . . . . . . . . . 77 . HN parsed_2mnu 1
12 1 2 . . . . . . . . . 219 . HA parsed_2mnu 1
13 1 1 . . . . . . . . . 78 . HA parsed_2mnu 1
13 1 2 . . . . . . . . . 217 . HA parsed_2mnu 1
14 1 1 . . . . . . . . . 79 . HN parsed_2mnu 1
14 1 2 . . . . . . . . . 217 . HA parsed_2mnu 1
15 1 1 . . . . . . . . . 80 . HA parsed_2mnu 1
15 1 2 . . . . . . . . . 215 . HB1 parsed_2mnu 1
16 1 1 . . . . . . . . . 80 . HA parsed_2mnu 1
16 1 2 . . . . . . . . . 215 . HD1 parsed_2mnu 1
17 1 1 . . . . . . . . . 80 . HA parsed_2mnu 1
17 1 2 . . . . . . . . . 215 . HD2 parsed_2mnu 1
18 1 1 . . . . . . . . . 207 . HA1 parsed_2mnu 1
18 1 2 . . . . . . . . . 207 . HN parsed_2mnu 1
19 1 1 . . . . . . . . . 207 . HA1 parsed_2mnu 1
19 1 2 . . . . . . . . . 218 . HH2 parsed_2mnu 1
20 1 1 . . . . . . . . . 207 . HA2 parsed_2mnu 1
20 1 2 . . . . . . . . . 218 . HH2 parsed_2mnu 1
21 1 1 . . . . . . . . . 208 . HB1 parsed_2mnu 1
21 1 2 . . . . . . . . . 208 . HA parsed_2mnu 1
22 1 1 . . . . . . . . . 208 . HB2 parsed_2mnu 1
22 1 2 . . . . . . . . . 208 . HA parsed_2mnu 1
23 1 1 . . . . . . . . . 208 . HB2 parsed_2mnu 1
23 1 2 . . . . . . . . . 208 . HN parsed_2mnu 1
24 1 1 . . . . . . . . . 208 . HB1 parsed_2mnu 1
24 1 2 . . . . . . . . . 209 . HN parsed_2mnu 1
25 1 1 . . . . . . . . . 208 . HB2 parsed_2mnu 1
25 1 2 . . . . . . . . . 209 . HN parsed_2mnu 1
26 1 1 . . . . . . . . . 208 . HB2 parsed_2mnu 1
26 1 2 . . . . . . . . . 209 . HD1 parsed_2mnu 1
27 1 1 . . . . . . . . . 208 . HA parsed_2mnu 1
27 1 2 . . . . . . . . . 209 . HB2 parsed_2mnu 1
28 1 1 . . . . . . . . . 208 . HA parsed_2mnu 1
28 1 2 . . . . . . . . . 209 . HD1 parsed_2mnu 1
29 1 1 . . . . . . . . . 208 . HA parsed_2mnu 1
29 1 2 . . . . . . . . . 209 . HN parsed_2mnu 1
30 1 1 . . . . . . . . . 208 . HB1 parsed_2mnu 1
30 1 2 . . . . . . . . . 218 . HH2 parsed_2mnu 1
31 1 1 . . . . . . . . . 209 . HA parsed_2mnu 1
31 1 2 . . . . . . . . . 209 . HD1 parsed_2mnu 1
32 1 1 . . . . . . . . . 209 . HA parsed_2mnu 1
32 1 2 . . . . . . . . . 209 . HB2 parsed_2mnu 1
33 1 1 . . . . . . . . . 209 . HA parsed_2mnu 1
33 1 2 . . . . . . . . . 209 . HN parsed_2mnu 1
34 1 1 . . . . . . . . . 209 . HB1 parsed_2mnu 1
34 1 2 . . . . . . . . . 209 . HN parsed_2mnu 1
35 1 1 . . . . . . . . . 209 . HB2 parsed_2mnu 1
35 1 2 . . . . . . . . . 209 . HD1 parsed_2mnu 1
36 1 1 . . . . . . . . . 209 . HA parsed_2mnu 1
36 1 2 . . . . . . . . . 210 . HN parsed_2mnu 1
37 1 1 . . . . . . . . . 209 . HE3 parsed_2mnu 1
37 1 2 . . . . . . . . . 216 . HB2 parsed_2mnu 1
38 1 1 . . . . . . . . . 209 . HE3 parsed_2mnu 1
38 1 2 . . . . . . . . . 217 . HA parsed_2mnu 1
39 1 1 . . . . . . . . . 209 . HA parsed_2mnu 1
39 1 2 . . . . . . . . . 218 . HA parsed_2mnu 1
40 1 1 . . . . . . . . . 209 . HA parsed_2mnu 1
40 1 2 . . . . . . . . . 218 . HB1 parsed_2mnu 1
41 1 1 . . . . . . . . . 210 . HB parsed_2mnu 1
41 1 2 . . . . . . . . . 210 . HA parsed_2mnu 1
42 1 1 . . . . . . . . . 210 . HB parsed_2mnu 1
42 1 2 . . . . . . . . . 210 . HG2# parsed_2mnu 1
43 1 1 . . . . . . . . . 210 . HA parsed_2mnu 1
43 1 2 . . . . . . . . . 210 . HG2# parsed_2mnu 1
44 1 1 . . . . . . . . . 210 . HB parsed_2mnu 1
44 1 2 . . . . . . . . . 211 . HN parsed_2mnu 1
45 1 1 . . . . . . . . . 210 . HA parsed_2mnu 1
45 1 2 . . . . . . . . . 211 . HB1 parsed_2mnu 1
46 1 1 . . . . . . . . . 210 . HA parsed_2mnu 1
46 1 2 . . . . . . . . . 211 . HN parsed_2mnu 1
47 1 1 . . . . . . . . . 211 . HB1 parsed_2mnu 1
47 1 2 . . . . . . . . . 211 . HN parsed_2mnu 1
48 1 1 . . . . . . . . . 211 . HB1 parsed_2mnu 1
48 1 2 . . . . . . . . . 211 . HA parsed_2mnu 1
49 1 1 . . . . . . . . . 211 . HB1 parsed_2mnu 1
49 1 2 . . . . . . . . . 211 . HE3 parsed_2mnu 1
50 1 1 . . . . . . . . . 211 . HZ3 parsed_2mnu 1
50 1 2 . . . . . . . . . 214 . HA2 parsed_2mnu 1
51 1 1 . . . . . . . . . 211 . HE3 parsed_2mnu 1
51 1 2 . . . . . . . . . 215 . HA parsed_2mnu 1
52 1 1 . . . . . . . . . 215 . HA parsed_2mnu 1
52 1 2 . . . . . . . . . 216 . HN parsed_2mnu 1
53 1 1 . . . . . . . . . 215 . HB1 parsed_2mnu 1
53 1 2 . . . . . . . . . 216 . HN parsed_2mnu 1
54 1 1 . . . . . . . . . 216 . HA parsed_2mnu 1
54 1 2 . . . . . . . . . 216 . HB2 parsed_2mnu 1
55 1 1 . . . . . . . . . 216 . HB2 parsed_2mnu 1
55 1 2 . . . . . . . . . 216 . HB1 parsed_2mnu 1
56 1 1 . . . . . . . . . 216 . HB1 parsed_2mnu 1
56 1 2 . . . . . . . . . 216 . HN parsed_2mnu 1
57 1 1 . . . . . . . . . 216 . HB2 parsed_2mnu 1
57 1 2 . . . . . . . . . 216 . HN parsed_2mnu 1
58 1 1 . . . . . . . . . 216 . HA parsed_2mnu 1
58 1 2 . . . . . . . . . 217 . HN parsed_2mnu 1
59 1 1 . . . . . . . . . 217 . HA parsed_2mnu 1
59 1 2 . . . . . . . . . 218 . HN parsed_2mnu 1
60 1 1 . . . . . . . . . 217 . HG2# parsed_2mnu 1
60 1 2 . . . . . . . . . 218 . HN parsed_2mnu 1
61 1 1 . . . . . . . . . 217 . HG2# parsed_2mnu 1
61 1 2 . . . . . . . . . 219 . HE1 parsed_2mnu 1
62 1 1 . . . . . . . . . 218 . HB1 parsed_2mnu 1
62 1 2 . . . . . . . . . 218 . HN parsed_2mnu 1
63 1 1 . . . . . . . . . 218 . HB1 parsed_2mnu 1
63 1 2 . . . . . . . . . 218 . HD1 parsed_2mnu 1
64 1 1 . . . . . . . . . 218 . HA parsed_2mnu 1
64 1 2 . . . . . . . . . 219 . HN parsed_2mnu 1
65 1 1 . . . . . . . . . 219 . HA parsed_2mnu 1
65 1 2 . . . . . . . . . 220 . HA2 parsed_2mnu 1
66 1 1 . . . . . . . . . 219 . HA parsed_2mnu 1
66 1 2 . . . . . . . . . 220 . HN parsed_2mnu 1
67 1 1 . . . . . . . . . 219 . HB2 parsed_2mnu 1
67 1 2 . . . . . . . . . 220 . HN parsed_2mnu 1
68 1 1 . . . . . . . . . 219 . HB1 parsed_2mnu 1
68 1 2 . . . . . . . . . 220 . HN parsed_2mnu 1
69 1 1 . . . . . . . . . 219 . HG1 parsed_2mnu 1
69 1 2 . . . . . . . . . 220 . HN parsed_2mnu 1
70 1 1 . . . . . . . . . 219 . HG2 parsed_2mnu 1
70 1 2 . . . . . . . . . 220 . HN parsed_2mnu 1
71 1 1 . . . . . . . . . 12 . HB2 parsed_2mnu 1
71 1 2 . . . . . . . . . 209 . HZ2 parsed_2mnu 1
72 1 1 . . . . . . . . . 12 . HD2# parsed_2mnu 1
72 1 2 . . . . . . . . . 209 . HZ2 parsed_2mnu 1
73 1 1 . . . . . . . . . 12 . HB2 parsed_2mnu 1
73 1 2 . . . . . . . . . 218 . HZ3 parsed_2mnu 1
74 1 1 . . . . . . . . . 207 . HA1 parsed_2mnu 1
74 1 2 . . . . . . . . . 218 . HZ2 parsed_2mnu 1
75 1 1 . . . . . . . . . 208 . HA parsed_2mnu 1
75 1 2 . . . . . . . . . 209 . HD1 parsed_2mnu 1
76 1 1 . . . . . . . . . 209 . HD1 parsed_2mnu 1
76 1 2 . . . . . . . . . 209 . HB1 parsed_2mnu 1
77 1 1 . . . . . . . . . 209 . HD1 parsed_2mnu 1
77 1 2 . . . . . . . . . 209 . HE1 parsed_2mnu 1
78 1 1 . . . . . . . . . 209 . HD1 parsed_2mnu 1
78 1 2 . . . . . . . . . 209 . HN parsed_2mnu 1
79 1 1 . . . . . . . . . 209 . HH2 parsed_2mnu 1
79 1 2 . . . . . . . . . 209 . HZ2 parsed_2mnu 1
80 1 1 . . . . . . . . . 209 . HD1 parsed_2mnu 1
80 1 2 . . . . . . . . . 218 . HZ3 parsed_2mnu 1
81 1 1 . . . . . . . . . 211 . HH2 parsed_2mnu 1
81 1 2 . . . . . . . . . 211 . HZ3 parsed_2mnu 1
82 1 1 . . . . . . . . . 211 . HH2 parsed_2mnu 1
82 1 2 . . . . . . . . . 211 . HZ2 parsed_2mnu 1
83 1 1 . . . . . . . . . 211 . HZ3 parsed_2mnu 1
83 1 2 . . . . . . . . . 211 . HE3 parsed_2mnu 1
84 1 1 . . . . . . . . . 211 . HZ2 parsed_2mnu 1
84 1 2 . . . . . . . . . 211 . HE1 parsed_2mnu 1
85 1 1 . . . . . . . . . 211 . HZ2 parsed_2mnu 1
85 1 2 . . . . . . . . . 214 . HA1 parsed_2mnu 1
86 1 1 . . . . . . . . . 211 . HZ2 parsed_2mnu 1
86 1 2 . . . . . . . . . 214 . HA2 parsed_2mnu 1
87 1 1 . . . . . . . . . 216 . HD1 parsed_2mnu 1
87 1 2 . . . . . . . . . 216 . HE1 parsed_2mnu 1
88 1 1 . . . . . . . . . 218 . HD1 parsed_2mnu 1
88 1 2 . . . . . . . . . 218 . HE1 parsed_2mnu 1
89 1 1 . . . . . . . . . 218 . HH2 parsed_2mnu 1
89 1 2 . . . . . . . . . 218 . HZ3 parsed_2mnu 1
90 1 1 . . . . . . . . . 218 . HH2 parsed_2mnu 1
90 1 2 . . . . . . . . . 218 . HZ2 parsed_2mnu 1
91 1 1 . . . . . . . . . 218 . HZ3 parsed_2mnu 1
91 1 2 . . . . . . . . . 218 . HZ2 parsed_2mnu 1
92 1 1 . . . . . . . . . 218 . HZ2 parsed_2mnu 1
92 1 2 . . . . . . . . . 218 . HE1 parsed_2mnu 1
93 1 1 . . . . . . . . . 11 . HA parsed_2mnu 1
93 1 2 . . . . . . . . . 209 . HE1 parsed_2mnu 1
94 1 1 . . . . . . . . . 12 . HB1 parsed_2mnu 1
94 1 2 . . . . . . . . . 209 . HE1 parsed_2mnu 1
95 1 1 . . . . . . . . . 12 . HB2 parsed_2mnu 1
95 1 2 . . . . . . . . . 209 . HE1 parsed_2mnu 1
96 1 1 . . . . . . . . . 207 . HA1 parsed_2mnu 1
96 1 2 . . . . . . . . . 218 . HE1 parsed_2mnu 1
97 1 1 . . . . . . . . . 208 . HN parsed_2mnu 1
97 1 2 . . . . . . . . . 209 . HN parsed_2mnu 1
98 1 1 . . . . . . . . . 208 . HA parsed_2mnu 1
98 1 2 . . . . . . . . . 209 . HN parsed_2mnu 1
99 1 1 . . . . . . . . . 208 . HB2 parsed_2mnu 1
99 1 2 . . . . . . . . . 209 . HN parsed_2mnu 1
100 1 1 . . . . . . . . . 209 . HZ2 parsed_2mnu 1
100 1 2 . . . . . . . . . 209 . HE1 parsed_2mnu 1
101 1 1 . . . . . . . . . 209 . HA parsed_2mnu 1
101 1 2 . . . . . . . . . 209 . HN parsed_2mnu 1
102 1 1 . . . . . . . . . 209 . HB2 parsed_2mnu 1
102 1 2 . . . . . . . . . 209 . HN parsed_2mnu 1
103 1 1 . . . . . . . . . 209 . HD1 parsed_2mnu 1
103 1 2 . . . . . . . . . 209 . HN parsed_2mnu 1
104 1 1 . . . . . . . . . 211 . HB1 parsed_2mnu 1
104 1 2 . . . . . . . . . 212 . HN parsed_2mnu 1
105 1 1 . . . . . . . . . 215 . HA parsed_2mnu 1
105 1 2 . . . . . . . . . 216 . HN parsed_2mnu 1
106 1 1 . . . . . . . . . 218 . HZ2 parsed_2mnu 1
106 1 2 . . . . . . . . . 218 . HE1 parsed_2mnu 1
107 1 1 . . . . . . . . . 218 . HD1 parsed_2mnu 1
107 1 2 . . . . . . . . . 218 . HE1 parsed_2mnu 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 . . . . . 3.8 1.8 4.3 parsed_2mnu 1
2 1 . . . . . 4.1 1.8 5.6 parsed_2mnu 1
3 1 . . . . . 3.2 1.8 3.7 parsed_2mnu 1
4 1 . . . . . 3.4 1.8 5.9 parsed_2mnu 1
5 1 . . . . . 3.0 1.8 5.5 parsed_2mnu 1
6 1 . . . . . 3.5 1.8 5.0 parsed_2mnu 1
7 1 . . . . . 3.2 1.8 4.7 parsed_2mnu 1
8 1 . . . . . 3.4 1.8 4.9 parsed_2mnu 1
9 1 . . . . . 4.2 1.8 5.7 parsed_2mnu 1
10 1 . . . . . 3.4 1.8 5.9 parsed_2mnu 1
11 1 . . . . . 4.1 1.8 5.6 parsed_2mnu 1
12 1 . . . . . 4.0 1.8 5.5 parsed_2mnu 1
13 1 . . . . . 3.2 1.8 5.7 parsed_2mnu 1
14 1 . . . . . 3.9 1.8 6.4 parsed_2mnu 1
15 1 . . . . . 4.0 1.8 6.5 parsed_2mnu 1
16 1 . . . . . 3.9 1.8 5.4 parsed_2mnu 1
17 1 . . . . . 3.9 1.8 5.4 parsed_2mnu 1
18 1 . . . . . 3.6 1.8 4.1 parsed_2mnu 1
19 1 . . . . . 2.9 1.8 3.4 parsed_2mnu 1
20 1 . . . . . 3.6 1.8 4.1 parsed_2mnu 1
21 1 . . . . . 2.9 1.8 3.4 parsed_2mnu 1
22 1 . . . . . 2.8 1.8 3.3 parsed_2mnu 1
23 1 . . . . . 3.5 1.8 4.0 parsed_2mnu 1
24 1 . . . . . 3.3 1.8 3.8 parsed_2mnu 1
25 1 . . . . . 3.1 1.8 3.6 parsed_2mnu 1
26 1 . . . . . 4.2 1.8 4.7 parsed_2mnu 1
27 1 . . . . . 3.5 1.8 5.0 parsed_2mnu 1
28 1 . . . . . 3.7 1.8 4.2 parsed_2mnu 1
29 1 . . . . . 2.6 1.8 3.1 parsed_2mnu 1
30 1 . . . . . 3.7 1.8 4.2 parsed_2mnu 1
31 1 . . . . . 3.2 1.8 3.7 parsed_2mnu 1
32 1 . . . . . 3.3 1.8 3.8 parsed_2mnu 1
33 1 . . . . . 3.6 1.8 4.1 parsed_2mnu 1
34 1 . . . . . 3.7 1.8 4.2 parsed_2mnu 1
35 1 . . . . . 3.7 1.8 4.2 parsed_2mnu 1
36 1 . . . . . 3.1 1.8 3.6 parsed_2mnu 1
37 1 . . . . . 4.1 1.8 4.6 parsed_2mnu 1
38 1 . . . . . 3.9 1.8 4.4 parsed_2mnu 1
39 1 . . . . . 3.0 1.8 3.5 parsed_2mnu 1
40 1 . . . . . 4.3 1.8 5.8 parsed_2mnu 1
41 1 . . . . . 2.9 1.8 3.4 parsed_2mnu 1
42 1 . . . . . 2.6 1.8 3.1 parsed_2mnu 1
43 1 . . . . . 3.2 1.8 3.7 parsed_2mnu 1
44 1 . . . . . 3.3 1.8 3.8 parsed_2mnu 1
45 1 . . . . . 4.2 1.8 4.7 parsed_2mnu 1
46 1 . . . . . 2.9 1.8 3.4 parsed_2mnu 1
47 1 . . . . . 3.3 1.8 3.8 parsed_2mnu 1
48 1 . . . . . 3.7 1.8 4.2 parsed_2mnu 1
49 1 . . . . . 3.9 1.8 4.4 parsed_2mnu 1
50 1 . . . . . 3.9 1.8 4.4 parsed_2mnu 1
51 1 . . . . . 4.1 1.8 4.6 parsed_2mnu 1
52 1 . . . . . 3.2 1.8 3.7 parsed_2mnu 1
53 1 . . . . . 3.8 1.8 4.3 parsed_2mnu 1
54 1 . . . . . 3.9 1.8 4.4 parsed_2mnu 1
55 1 . . . . . 3.3 1.8 3.8 parsed_2mnu 1
56 1 . . . . . 4.2 1.8 4.7 parsed_2mnu 1
57 1 . . . . . 3.9 1.8 4.4 parsed_2mnu 1
58 1 . . . . . 3.4 1.8 3.9 parsed_2mnu 1
59 1 . . . . . 2.9 1.8 3.4 parsed_2mnu 1
60 1 . . . . . 3.3 1.8 3.8 parsed_2mnu 1
61 1 . . . . . 3.3 1.8 3.8 parsed_2mnu 1
62 1 . . . . . 3.8 1.8 4.3 parsed_2mnu 1
63 1 . . . . . 3.9 1.8 4.4 parsed_2mnu 1
64 1 . . . . . 2.8 1.8 3.3 parsed_2mnu 1
65 1 . . . . . 3.8 1.8 4.3 parsed_2mnu 1
66 1 . . . . . 2.7 1.8 3.2 parsed_2mnu 1
67 1 . . . . . 4.1 1.8 4.6 parsed_2mnu 1
68 1 . . . . . 3.8 1.8 4.3 parsed_2mnu 1
69 1 . . . . . 4.2 1.8 4.7 parsed_2mnu 1
70 1 . . . . . 4.1 1.8 4.6 parsed_2mnu 1
71 1 . . . . . 4.3 1.8 4.8 parsed_2mnu 1
72 1 . . . . . 5.1 1.8 5.6 parsed_2mnu 1
73 1 . . . . . 5.1 1.8 5.6 parsed_2mnu 1
74 1 . . . . . 4.7 1.8 5.2 parsed_2mnu 1
75 1 . . . . . 5.1 1.8 5.6 parsed_2mnu 1
76 1 . . . . . 4.4 1.8 4.9 parsed_2mnu 1
77 1 . . . . . 4.0 1.8 4.5 parsed_2mnu 1
78 1 . . . . . 4.7 1.8 5.2 parsed_2mnu 1
79 1 . . . . . 4.6 1.8 5.1 parsed_2mnu 1
80 1 . . . . . 5.1 1.8 5.6 parsed_2mnu 1
81 1 . . . . . 5.0 1.8 5.5 parsed_2mnu 1
82 1 . . . . . 4.7 1.8 5.2 parsed_2mnu 1
83 1 . . . . . 4.2 1.8 4.7 parsed_2mnu 1
84 1 . . . . . 4.3 1.8 4.8 parsed_2mnu 1
85 1 . . . . . 5.0 1.8 5.5 parsed_2mnu 1
86 1 . . . . . 4.6 1.8 5.1 parsed_2mnu 1
87 1 . . . . . 4.7 1.8 5.2 parsed_2mnu 1
88 1 . . . . . 4.5 1.8 5.0 parsed_2mnu 1
89 1 . . . . . 4.0 1.8 4.5 parsed_2mnu 1
90 1 . . . . . 3.8 1.8 4.3 parsed_2mnu 1
91 1 . . . . . 5.0 1.8 5.5 parsed_2mnu 1
92 1 . . . . . 4.5 1.8 5.0 parsed_2mnu 1
93 1 . . . . . 3.6 1.8 4.1 parsed_2mnu 1
94 1 . . . . . 4.0 1.8 4.5 parsed_2mnu 1
95 1 . . . . . 4.0 1.8 4.5 parsed_2mnu 1
96 1 . . . . . 4.1 1.8 4.6 parsed_2mnu 1
97 1 . . . . . 4.4 1.8 4.9 parsed_2mnu 1
98 1 . . . . . 2.8 1.8 3.3 parsed_2mnu 1
99 1 . . . . . 3.0 1.8 3.5 parsed_2mnu 1
100 1 . . . . . 3.5 1.8 4.0 parsed_2mnu 1
101 1 . . . . . 3.8 1.8 4.3 parsed_2mnu 1
102 1 . . . . . 3.1 1.8 3.6 parsed_2mnu 1
103 1 . . . . . 3.5 1.8 4.0 parsed_2mnu 1
104 1 . . . . . 4.3 1.8 4.8 parsed_2mnu 1
105 1 . . . . . 3.8 1.8 4.3 parsed_2mnu 1
106 1 . . . . . 2.9 1.8 3.4 parsed_2mnu 1
107 1 . . . . . 2.7 1.8 3.2 parsed_2mnu 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
;
arbitrary for trp interaction
assign (resid 209 and name HD1 ) (resid 218 and name HZ3 ) 3.00 1.20 1.50
assign (resid 209 and name HZ3 ) (resid 218 and name HB2 ) 3.00 1.20 1.50
assign (resid 211 and name HB2 ) (resid 216 and name HZ2 ) 3.00 1.20 1.00
assign (resid 211 and name HZ3 ) (resid 216 and name HD1 ) 3.00 1.20 2.00
assign (resid 210 and name HB ) (resid 217 and name HB ) 3.00 1.20 2.00
NEW added NOEs: cnoe
assign (resid 14 and name HD1 ) (resid 224 and name HG ) 3.8 2.0 0.5 ! A.185 at 1.91e+06
;
1 1 11 98 parsed_2mnu 1
2 "A.186 at 1.99e+06" 13 77 13 97 parsed_2mnu 1
3 "A.183 at 1.29e+06" 14 77 14 97 parsed_2mnu 1
4 "A.175 at 5.88e+06" 16 77 16 97 parsed_2mnu 1
5 "A.169 at 3.92e+06" 18 77 18 97 parsed_2mnu 1
6 "A.152 at 8.20e+06" 19 77 19 97 parsed_2mnu 1
7 "A.127 at 3.13e+06" 21 77 21 97 parsed_2mnu 1
8 "A.69 at 6.17e+06" 22 77 22 97 parsed_2mnu 1
9 "A.126 at 4.23e+06" 24 77 24 97 parsed_2mnu 1
10 "A.134 at 1.10e+06" 25 77 25 97 parsed_2mnu 1
11 "A.135 at 4.37e+06" 26 77 26 97 parsed_2mnu 1
12 "A.63 at 1.25e+06" 27 77 27 97 parsed_2mnu 1
13 "A.67 at 1.56e+06" 28 77 28 97 parsed_2mnu 1
14 "A.54 at 6.06e+06" 30 77 30 97 parsed_2mnu 1
15 "A.55 at 1.68e+06" 32 77 32 97 parsed_2mnu 1
16 "A.111 at 1.60e+06" 34 77 34 97 parsed_2mnu 1
17 "A.115 at 1.68e+06" 35 77 35 97 parsed_2mnu 1
18 "A.114 at 1.64e+06" 36 77 36 97 parsed_2mnu 1
19 "A.73 at 2.76e+06" 38 77 38 97 parsed_2mnu 1
20 "A.15 at 1.04e+07" 39 77 39 97 parsed_2mnu 1
21 "A.16 at 2.96e+06" 40 77 40 97 parsed_2mnu 1
22 "A.84 at 1.15e+07" 42 77 42 97 parsed_2mnu 1
23 "A.83 at 1.27e+07" 43 77 43 97 parsed_2mnu 1
24 "A.79 at 3.11e+06" 44 77 44 97 parsed_2mnu 1
25 "A.22 at 5.11e+06" 45 77 45 97 parsed_2mnu 1
26 "A.21 at 7.22e+06" 46 77 46 97 parsed_2mnu 1
27 "A.23 at 1.12e+06" 47 77 47 97 parsed_2mnu 1
28 "0.5 ! A.78 at 3.67e+06" 48 77 48 102 parsed_2mnu 1
29 "A.20 at 2.25e+06" 49 77 49 97 parsed_2mnu 1
30 "A.18 at 1.89e+07" 50 77 50 97 parsed_2mnu 1
31 "A.80 at 2.26e+06" 51 77 51 97 parsed_2mnu 1
32 "A.3 at 5.63e+06" 53 77 53 97 parsed_2mnu 1
33 "A.5 at 4.84e+06" 54 77 54 97 parsed_2mnu 1
34 "A.2 at 2.69e+06" 55 77 55 97 parsed_2mnu 1
35 "A.7 at 2.38e+06" 56 77 56 97 parsed_2mnu 1
36 "A.8 at 2.43e+06" 57 77 57 97 parsed_2mnu 1
37 "A.1 at 7.25e+06" 58 77 58 97 parsed_2mnu 1
38 "A.49 at 1.28e+06" 59 77 59 97 parsed_2mnu 1
39 "A.53 at 1.89e+06" 60 77 60 97 parsed_2mnu 1
40 "A.4 at 8.39e+06" 61 77 61 97 parsed_2mnu 1
41 "0.5 ! A.86 at 1.02e+06" 62 77 62 102 parsed_2mnu 1
42 "A.97 at 1.07e+07" 64 77 64 97 parsed_2mnu 1
43 "A.96 at 1.96e+07" 65 77 65 97 parsed_2mnu 1
44 "A.92 at 5.61e+06" 66 77 66 97 parsed_2mnu 1
45 "A.27 at 4.86e+06" 67 77 67 97 parsed_2mnu 1
46 "A.91 at 1.07e+06" 68 77 68 97 parsed_2mnu 1
47 "A.24 at 9.63e+06" 69 77 69 97 parsed_2mnu 1
48 "A.29 at 4.55e+06" 71 77 71 97 parsed_2mnu 1
49 "A.31 at 2.51e+06" 72 77 72 97 parsed_2mnu 1
50
;
A.30 at 1.82e+06
#assign (resid 211 and name HB1 ) (resid 212 and name HB2 ) 3.1 1.3 0.5 ! A.32 at 7.43e+06
;
73 77 74 99 parsed_2mnu 1
51 "A.105 at 1.65e+06" 75 77 75 97 parsed_2mnu 1
52 "A.37 at 1.37e+06" 76 77 76 97 parsed_2mnu 1
53 "A.34 at 6.02e+06" 78 77 78 97 parsed_2mnu 1
54 "A.38 at 2.18e+06" 79 77 79 97 parsed_2mnu 1
55 "A.122 at 1.70e+06" 81 77 81 97 parsed_2mnu 1
56 "A.124 at 5.26e+06" 82 77 82 97 parsed_2mnu 1
57 "A.48 at 1.20e+06" 83 77 83 97 parsed_2mnu 1
58 "A.47 at 1.72e+06" 84 77 84 97 parsed_2mnu 1
59 "A.42 at 4.35e+06" 85 77 85 97 parsed_2mnu 1
60 "A.51 at 9.91e+06" 87 77 87 97 parsed_2mnu 1
61 "A.125 at 4.82e+06" 88 77 88 97 parsed_2mnu 1
62 "A.130 at 4.60e+06" 89 77 89 97 parsed_2mnu 1
63 "A.133 at 1.96e+06" 91 77 91 97 parsed_2mnu 1
64 "A.64 at 1.90e+06" 92 77 92 97 parsed_2mnu 1
65 "A.58 at 1.31e+07" 93 77 93 97 parsed_2mnu 1
66 "A.71 at 2.09e+06" 95 77 95 97 parsed_2mnu 1
67 "A.70 at 1.44e+07" 96 77 96 97 parsed_2mnu 1
68 "A.138 at 1.36e+06" 97 77 97 97 parsed_2mnu 1
69 "A.137 at 2.04e+06" 98 77 98 97 parsed_2mnu 1
70 "A.140 at 1.17e+06" 99 77 99 97 parsed_2mnu 1
71
;
A.139 at 1.28e+06
NEW added NOEs: aronoe
;
100 77 102 25 parsed_2mnu 1
72 "A.43 at 9.55e+05" 103 77 103 97 parsed_2mnu 1
73 "A.45 at 3.69e+05" 104 77 104 97 parsed_2mnu 1
74 "A.72 at 3.42e+05" 105 77 105 97 parsed_2mnu 1
75 "A.36 at 6.04e+05" 107 77 107 97 parsed_2mnu 1
76 "A.21 at 3.50e+05" 109 77 109 97 parsed_2mnu 1
77 "A.19 at 9.14e+05" 111 77 111 97 parsed_2mnu 1
78 "A.1 at 1.47e+06" 112 77 112 97 parsed_2mnu 1
79 "A.70 at 5.82e+05" 113 77 113 97 parsed_2mnu 1
80 "A.68 at 6.49e+05" 114 77 114 97 parsed_2mnu 1
81 "A.20 at 3.42e+05" 115 77 115 97 parsed_2mnu 1
82 "A.56 at 4.01e+05" 117 77 117 97 parsed_2mnu 1
83 "A.33 at 5.83e+05" 118 77 118 97 parsed_2mnu 1
84 "A.12 at 1.08e+06" 119 77 119 97 parsed_2mnu 1
85 "A.5 at 9.86e+05" 120 77 120 97 parsed_2mnu 1
86 "A.9 at 3.93e+05" 121 77 121 97 parsed_2mnu 1
87 "A.8 at 6.86e+05" 122 77 122 97 parsed_2mnu 1
88 "A.4 at 5.48e+05" 124 77 124 97 parsed_2mnu 1
89 "A.2 at 7.81e+05" 126 77 126 97 parsed_2mnu 1
90 "A.29 at 1.55e+06" 127 77 127 97 parsed_2mnu 1
91 "A.28 at 2.16e+06" 128 77 128 97 parsed_2mnu 1
92 "A.64 at 3.80e+05" 129 77 129 97 parsed_2mnu 1
93
;
A.25 at 7.64e+05
NEW added NOEs: nnoe
;
130 77 132 23 parsed_2mnu 1
94 "A.9 at 2.65e+06" 133 77 133 97 parsed_2mnu 1
95 "A.714 at 1.60e+06" 135 77 135 97 parsed_2mnu 1
96 "A.13 at 1.63e+06" 136 77 136 97 parsed_2mnu 1
97 "A.44 at 1.31e+06" 138 77 138 97 parsed_2mnu 1
98 "A.826 at 9.07e+05" 140 77 140 97 parsed_2mnu 1
99 "A.262 at 1.35e+07" 141 77 141 97 parsed_2mnu 1
100 "A.246 at 7.86e+06" 142 77 142 97 parsed_2mnu 1
101
;
A.8 at 3.21e+06
assign (resid 209 and name HE1 ) (resid 209 and name HE1 ) 2.4 0.6 0.5 ! A.14 at 3.64e+07
;
144 77 145 98 parsed_2mnu 1
102 "A.248 at 2.06e+06" 146 77 146 97 parsed_2mnu 1
103 "A.247 at 7.48e+06" 147 77 147 97 parsed_2mnu 1
104 "A.258 at 3.51e+06" 148 77 148 97 parsed_2mnu 1
105 "A.815 at 9.95e+05" 150 77 150 97 parsed_2mnu 1
106 "A.144 at 2.06e+06" 152 77 152 97 parsed_2mnu 1
107 "A.52 at 9.58e+06" 154 77 154 97 parsed_2mnu 1
108
;
A.56 at 1.66e+07
@ END_XPLR_NOE_FILE
;
155 77 158 21 parsed_2mnu 1
stop_
save_
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