NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
592091 |
2mu3   |
17899 | cing | 2-parsed | STAR | distance | NOE | ambi | 70 |
data_2mu3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mu3
_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_2mu3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mu3
_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 2mu3 "Master copy" parsed_2mu3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mu3
_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 2mu3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 2 distance NOE simple 947 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 3 distance NOE ambi 240 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 4 distance NOE simple 559 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 5 distance NOE ambi 70 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 7 distance NOE ambi 0 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 8 distance NOE simple 0 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 9 distance NOE ambi 0 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 10 distance "hydrogen bond" simple 0 parsed_2mu3 1
1 2mu3.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2mu3 1
1 2mu3.mr . . "MR format" 12 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mu3 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mu3
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2mu3 1
2 1 . . . parsed_2mu3 1
3 1 . . . parsed_2mu3 1
4 1 . . . parsed_2mu3 1
5 1 . . . parsed_2mu3 1
6 1 . . . parsed_2mu3 1
7 1 . . . parsed_2mu3 1
8 1 . . . parsed_2mu3 1
9 1 . . . parsed_2mu3 1
10 1 . . . parsed_2mu3 1
11 1 . . . parsed_2mu3 1
12 1 . . . parsed_2mu3 1
13 1 . . . parsed_2mu3 1
14 1 . . . parsed_2mu3 1
15 1 . . . parsed_2mu3 1
16 1 . . . parsed_2mu3 1
17 1 . . . parsed_2mu3 1
18 1 . . . parsed_2mu3 1
19 1 . . . parsed_2mu3 1
20 1 . . . parsed_2mu3 1
21 1 . . . parsed_2mu3 1
22 1 . . . parsed_2mu3 1
23 1 . . . parsed_2mu3 1
24 1 . . . parsed_2mu3 1
25 1 . . . parsed_2mu3 1
26 1 . . . parsed_2mu3 1
27 1 . . . parsed_2mu3 1
28 1 . . . parsed_2mu3 1
29 1 . . . parsed_2mu3 1
30 1 . . . parsed_2mu3 1
31 1 . . . parsed_2mu3 1
32 1 . . . parsed_2mu3 1
33 1 . . . parsed_2mu3 1
34 1 . . . parsed_2mu3 1
35 1 . . . parsed_2mu3 1
36 1 . . . parsed_2mu3 1
37 1 . . . parsed_2mu3 1
38 1 . . . parsed_2mu3 1
39 1 . . . parsed_2mu3 1
40 1 . . . parsed_2mu3 1
41 1 . . . parsed_2mu3 1
42 1 . . . parsed_2mu3 1
43 1 . . . parsed_2mu3 1
44 1 . . . parsed_2mu3 1
45 1 . . . parsed_2mu3 1
46 1 . . . parsed_2mu3 1
47 1 . . . parsed_2mu3 1
48 1 . . . parsed_2mu3 1
49 1 . . . parsed_2mu3 1
50 1 . . . parsed_2mu3 1
51 1 . . . parsed_2mu3 1
52 1 . . . parsed_2mu3 1
53 1 . . . parsed_2mu3 1
54 1 . . . parsed_2mu3 1
55 1 . . . parsed_2mu3 1
56 1 . . . parsed_2mu3 1
57 1 . . . parsed_2mu3 1
58 1 . . . parsed_2mu3 1
59 1 . . . parsed_2mu3 1
60 1 . . . parsed_2mu3 1
61 1 . . . parsed_2mu3 1
62 1 . . . parsed_2mu3 1
63 1 . . . parsed_2mu3 1
64 1 . . . parsed_2mu3 1
65 1 . . . parsed_2mu3 1
66 1 . . . parsed_2mu3 1
67 1 . . . parsed_2mu3 1
68 1 . . . parsed_2mu3 1
69 1 . . . parsed_2mu3 1
70 1 . . . parsed_2mu3 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 . . . . . . . . . 48 . HN parsed_2mu3 1
1 1 2 . . . . . . . . . 47 . HA parsed_2mu3 1
1 1 2 . . . . . . . . . 48 . HA parsed_2mu3 1
2 1 1 . . . . . . . . . 55 . HN parsed_2mu3 1
2 1 1 . . . . . . . . . 140 . HN parsed_2mu3 1
2 1 2 . . . . . . . . . 55 . HB* parsed_2mu3 1
2 1 2 . . . . . . . . . 139 . HB* parsed_2mu3 1
3 1 1 . . . . . . . . . 156 . HN parsed_2mu3 1
3 1 2 . . . . . . . . . 153 . HA parsed_2mu3 1
3 1 2 . . . . . . . . . 155 . HA parsed_2mu3 1
4 1 1 . . . . . . . . . 173 . HN parsed_2mu3 1
4 1 2 . . . . . . . . . 172 . HA parsed_2mu3 1
4 1 2 . . . . . . . . . 173 . HB* parsed_2mu3 1
5 1 1 . . . . . . . . . 92 . HN parsed_2mu3 1
5 1 2 . . . . . . . . . 91 . HB* parsed_2mu3 1
5 1 2 . . . . . . . . . 92 . HB* parsed_2mu3 1
6 1 1 . . . . . . . . . 117 . HN parsed_2mu3 1
6 1 2 . . . . . . . . . 116 . HG parsed_2mu3 1
6 1 2 . . . . . . . . . 117 . HG parsed_2mu3 1
7 1 1 . . . . . . . . . 34 . HN parsed_2mu3 1
7 1 2 . . . . . . . . . 33 . HA parsed_2mu3 1
7 1 2 . . . . . . . . . 34 . HA parsed_2mu3 1
8 1 1 . . . . . . . . . 129 . HB parsed_2mu3 1
8 1 1 . . . . . . . . . 130 . HB* parsed_2mu3 1
8 1 2 . . . . . . . . . 130 . HN parsed_2mu3 1
9 1 1 . . . . . . . . . 91 . HN parsed_2mu3 1
9 1 1 . . . . . . . . . 103 . HN parsed_2mu3 1
9 1 2 . . . . . . . . . 91 . HB* parsed_2mu3 1
9 1 2 . . . . . . . . . 103 . HB* parsed_2mu3 1
10 1 1 . . . . . . . . . 6 . HN parsed_2mu3 1
10 1 2 . . . . . . . . . 5 . HA* parsed_2mu3 1
10 1 2 . . . . . . . . . 6 . HA* parsed_2mu3 1
11 1 1 . . . . . . . . . 52 . HN parsed_2mu3 1
11 1 2 . . . . . . . . . 51 . HA parsed_2mu3 1
11 1 2 . . . . . . . . . 52 . HA parsed_2mu3 1
12 1 1 . . . . . . . . . 194 . HN parsed_2mu3 1
12 1 1 . . . . . . . . . 197 . HN parsed_2mu3 1
12 1 2 . . . . . . . . . 193 . HA* parsed_2mu3 1
12 1 2 . . . . . . . . . 196 . HA* parsed_2mu3 1
13 1 1 . . . . . . . . . 160 . HA parsed_2mu3 1
13 1 1 . . . . . . . . . 162 . HA parsed_2mu3 1
13 1 2 . . . . . . . . . 160 . HN parsed_2mu3 1
13 1 2 . . . . . . . . . 162 . HN parsed_2mu3 1
14 1 1 . . . . . . . . . 72 . HN parsed_2mu3 1
14 1 2 . . . . . . . . . 71 . HB parsed_2mu3 1
14 1 2 . . . . . . . . . 74 . HB parsed_2mu3 1
15 1 1 . . . . . . . . . 117 . HN parsed_2mu3 1
15 1 2 . . . . . . . . . 116 . HA parsed_2mu3 1
15 1 2 . . . . . . . . . 117 . HA parsed_2mu3 1
16 1 1 . . . . . . . . . 192 . HN parsed_2mu3 1
16 1 1 . . . . . . . . . 197 . HN parsed_2mu3 1
16 1 2 . . . . . . . . . 192 . HB* parsed_2mu3 1
16 1 2 . . . . . . . . . 197 . HB* parsed_2mu3 1
17 1 1 . . . . . . . . . 142 . HN parsed_2mu3 1
17 1 2 . . . . . . . . . 141 . HB* parsed_2mu3 1
17 1 2 . . . . . . . . . 142 . HB* parsed_2mu3 1
18 1 1 . . . . . . . . . 9 . HN parsed_2mu3 1
18 1 1 . . . . . . . . . 167 . HN parsed_2mu3 1
18 1 2 . . . . . . . . . 8 . HA* parsed_2mu3 1
18 1 2 . . . . . . . . . 166 . HA* parsed_2mu3 1
19 1 1 . . . . . . . . . 55 . HN parsed_2mu3 1
19 1 1 . . . . . . . . . 139 . HN parsed_2mu3 1
19 1 2 . . . . . . . . . 54 . HA parsed_2mu3 1
19 1 2 . . . . . . . . . 138 . HA parsed_2mu3 1
20 1 1 . . . . . . . . . 11 . HA* parsed_2mu3 1
20 1 1 . . . . . . . . . 12 . HA* parsed_2mu3 1
20 1 1 . . . . . . . . . 188 . HA* parsed_2mu3 1
20 1 2 . . . . . . . . . 12 . HN parsed_2mu3 1
20 1 2 . . . . . . . . . 189 . HN parsed_2mu3 1
21 1 1 . . . . . . . . . 153 . HN parsed_2mu3 1
21 1 1 . . . . . . . . . 165 . HN parsed_2mu3 1
21 1 2 . . . . . . . . . 153 . HB* parsed_2mu3 1
21 1 2 . . . . . . . . . 165 . HB* parsed_2mu3 1
22 1 1 . . . . . . . . . 129 . HN parsed_2mu3 1
22 1 1 . . . . . . . . . 131 . HN parsed_2mu3 1
22 1 2 . . . . . . . . . 129 . HB parsed_2mu3 1
22 1 2 . . . . . . . . . 130 . HB* parsed_2mu3 1
23 1 1 . . . . . . . . . 21 . HN parsed_2mu3 1
23 1 2 . . . . . . . . . 17 . HD* parsed_2mu3 1
23 1 2 . . . . . . . . . 21 . HG* parsed_2mu3 1
24 1 1 . . . . . . . . . 41 . HE2* parsed_2mu3 1
24 1 1 . . . . . . . . . 72 . HE2* parsed_2mu3 1
24 1 2 . . . . . . . . . 41 . HG* parsed_2mu3 1
24 1 2 . . . . . . . . . 72 . HG* parsed_2mu3 1
25 1 1 . . . . . . . . . 35 . HN parsed_2mu3 1
25 1 1 . . . . . . . . . 197 . HN parsed_2mu3 1
25 1 2 . . . . . . . . . 35 . HB* parsed_2mu3 1
25 1 2 . . . . . . . . . 197 . HB* parsed_2mu3 1
26 1 1 . . . . . . . . . 56 . HN parsed_2mu3 1
26 1 2 . . . . . . . . . 50 . HA parsed_2mu3 1
26 1 2 . . . . . . . . . 55 . HA parsed_2mu3 1
27 1 1 . . . . . . . . . 55 . HN parsed_2mu3 1
27 1 2 . . . . . . . . . 55 . HD* parsed_2mu3 1
27 1 2 . . . . . . . . . 55 . HG parsed_2mu3 1
28 1 1 . . . . . . . . . 9 . HN parsed_2mu3 1
28 1 1 . . . . . . . . . 167 . HN parsed_2mu3 1
28 1 2 . . . . . . . . . 9 . HA parsed_2mu3 1
28 1 2 . . . . . . . . . 167 . HA parsed_2mu3 1
29 1 1 . . . . . . . . . 153 . HN parsed_2mu3 1
29 1 1 . . . . . . . . . 165 . HN parsed_2mu3 1
29 1 2 . . . . . . . . . 153 . HA parsed_2mu3 1
29 1 2 . . . . . . . . . 165 . HA parsed_2mu3 1
30 1 1 . . . . . . . . . 54 . HN parsed_2mu3 1
30 1 2 . . . . . . . . . 51 . HA parsed_2mu3 1
30 1 2 . . . . . . . . . 52 . HA parsed_2mu3 1
31 1 1 . . . . . . . . . 143 . HB* parsed_2mu3 1
31 1 1 . . . . . . . . . 145 . HB* parsed_2mu3 1
31 1 2 . . . . . . . . . 144 . HN parsed_2mu3 1
32 1 1 . . . . . . . . . 188 . HN parsed_2mu3 1
32 1 2 . . . . . . . . . 187 . HA* parsed_2mu3 1
32 1 2 . . . . . . . . . 188 . HA* parsed_2mu3 1
33 1 1 . . . . . . . . . 44 . HN parsed_2mu3 1
33 1 2 . . . . . . . . . 39 . HG* parsed_2mu3 1
33 1 2 . . . . . . . . . 74 . HG* parsed_2mu3 1
34 1 1 . . . . . . . . . 67 . HN parsed_2mu3 1
34 1 1 . . . . . . . . . 113 . HN parsed_2mu3 1
34 1 2 . . . . . . . . . 66 . HA parsed_2mu3 1
34 1 2 . . . . . . . . . 113 . HA parsed_2mu3 1
35 1 1 . . . . . . . . . 150 . HN parsed_2mu3 1
35 1 1 . . . . . . . . . 157 . HN parsed_2mu3 1
35 1 2 . . . . . . . . . 150 . HB* parsed_2mu3 1
35 1 2 . . . . . . . . . 157 . HB* parsed_2mu3 1
36 1 1 . . . . . . . . . 23 . HN parsed_2mu3 1
36 1 2 . . . . . . . . . 22 . HA parsed_2mu3 1
36 1 2 . . . . . . . . . 23 . HA parsed_2mu3 1
37 1 1 . . . . . . . . . 173 . HN parsed_2mu3 1
37 1 1 . . . . . . . . . 176 . HN parsed_2mu3 1
37 1 2 . . . . . . . . . 172 . HA parsed_2mu3 1
37 1 2 . . . . . . . . . 175 . HA parsed_2mu3 1
38 1 1 . . . . . . . . . 126 . HN parsed_2mu3 1
38 1 2 . . . . . . . . . 123 . HA parsed_2mu3 1
38 1 2 . . . . . . . . . 127 . HA parsed_2mu3 1
39 1 1 . . . . . . . . . 71 . HN parsed_2mu3 1
39 1 2 . . . . . . . . . 71 . HB parsed_2mu3 1
39 1 2 . . . . . . . . . 74 . HB parsed_2mu3 1
40 1 1 . . . . . . . . . 152 . HA parsed_2mu3 1
40 1 1 . . . . . . . . . 153 . HA parsed_2mu3 1
40 1 2 . . . . . . . . . 154 . HN parsed_2mu3 1
41 1 1 . . . . . . . . . 31 . HN parsed_2mu3 1
41 1 2 . . . . . . . . . 30 . HA parsed_2mu3 1
41 1 2 . . . . . . . . . 30 . HB parsed_2mu3 1
42 1 1 . . . . . . . . . 26 . HN parsed_2mu3 1
42 1 1 . . . . . . . . . 116 . HN parsed_2mu3 1
42 1 2 . . . . . . . . . 26 . HA parsed_2mu3 1
42 1 2 . . . . . . . . . 115 . HA parsed_2mu3 1
43 1 1 . . . . . . . . . 55 . HN parsed_2mu3 1
43 1 1 . . . . . . . . . 139 . HN parsed_2mu3 1
43 1 2 . . . . . . . . . 55 . HB* parsed_2mu3 1
43 1 2 . . . . . . . . . 139 . HB* parsed_2mu3 1
44 1 1 . . . . . . . . . 46 . HN parsed_2mu3 1
44 1 2 . . . . . . . . . 45 . HA parsed_2mu3 1
44 1 2 . . . . . . . . . 46 . HA parsed_2mu3 1
45 1 1 . . . . . . . . . 9 . HN parsed_2mu3 1
45 1 1 . . . . . . . . . 167 . HN parsed_2mu3 1
45 1 2 . . . . . . . . . 9 . HB* parsed_2mu3 1
45 1 2 . . . . . . . . . 167 . HB* parsed_2mu3 1
46 1 1 . . . . . . . . . 113 . HN parsed_2mu3 1
46 1 1 . . . . . . . . . 124 . HN parsed_2mu3 1
46 1 2 . . . . . . . . . 112 . HG* parsed_2mu3 1
46 1 2 . . . . . . . . . 120 . HG* parsed_2mu3 1
47 1 1 . . . . . . . . . 65 . HA parsed_2mu3 1
47 1 1 . . . . . . . . . 67 . HA parsed_2mu3 1
47 1 2 . . . . . . . . . 68 . HN parsed_2mu3 1
48 1 1 . . . . . . . . . 65 . HN parsed_2mu3 1
48 1 2 . . . . . . . . . 64 . HB* parsed_2mu3 1
48 1 2 . . . . . . . . . 65 . HB* parsed_2mu3 1
49 1 1 . . . . . . . . . 174 . HN parsed_2mu3 1
49 1 1 . . . . . . . . . 178 . HN parsed_2mu3 1
49 1 2 . . . . . . . . . 174 . HA* parsed_2mu3 1
49 1 2 . . . . . . . . . 178 . HA* parsed_2mu3 1
50 1 1 . . . . . . . . . 21 . HN parsed_2mu3 1
50 1 1 . . . . . . . . . 68 . HN parsed_2mu3 1
50 1 2 . . . . . . . . . 20 . HG* parsed_2mu3 1
50 1 2 . . . . . . . . . 68 . HG* parsed_2mu3 1
51 1 1 . . . . . . . . . 43 . HN parsed_2mu3 1
51 1 2 . . . . . . . . . 42 . HB* parsed_2mu3 1
51 1 2 . . . . . . . . . 43 . HG1* parsed_2mu3 1
52 1 1 . . . . . . . . . 74 . HN parsed_2mu3 1
52 1 1 . . . . . . . . . 177 . HN parsed_2mu3 1
52 1 2 . . . . . . . . . 74 . HG* parsed_2mu3 1
52 1 2 . . . . . . . . . 177 . HG2* parsed_2mu3 1
53 1 1 . . . . . . . . . 66 . HN parsed_2mu3 1
53 1 2 . . . . . . . . . 61 . HG* parsed_2mu3 1
53 1 2 . . . . . . . . . 67 . HB* parsed_2mu3 1
54 1 1 . . . . . . . . . 11 . HA* parsed_2mu3 1
54 1 1 . . . . . . . . . 166 . HA* parsed_2mu3 1
54 1 2 . . . . . . . . . 11 . HN parsed_2mu3 1
54 1 2 . . . . . . . . . 166 . HN parsed_2mu3 1
55 1 1 . . . . . . . . . 177 . HN parsed_2mu3 1
55 1 2 . . . . . . . . . 175 . HA parsed_2mu3 1
55 1 2 . . . . . . . . . 179 . HA parsed_2mu3 1
56 1 1 . . . . . . . . . 55 . HN parsed_2mu3 1
56 1 1 . . . . . . . . . 139 . HN parsed_2mu3 1
56 1 2 . . . . . . . . . 54 . HB* parsed_2mu3 1
56 1 2 . . . . . . . . . 138 . HB* parsed_2mu3 1
57 1 1 . . . . . . . . . 149 . HB parsed_2mu3 1
57 1 1 . . . . . . . . . 164 . HB parsed_2mu3 1
57 1 2 . . . . . . . . . 149 . HN parsed_2mu3 1
57 1 2 . . . . . . . . . 164 . HN parsed_2mu3 1
58 1 1 . . . . . . . . . 122 . HN parsed_2mu3 1
58 1 2 . . . . . . . . . 121 . HA parsed_2mu3 1
58 1 2 . . . . . . . . . 122 . HA parsed_2mu3 1
59 1 1 . . . . . . . . . 150 . HN parsed_2mu3 1
59 1 1 . . . . . . . . . 157 . HN parsed_2mu3 1
59 1 2 . . . . . . . . . 150 . HA parsed_2mu3 1
59 1 2 . . . . . . . . . 157 . HA parsed_2mu3 1
60 1 1 . . . . . . . . . 5 . HN parsed_2mu3 1
60 1 1 . . . . . . . . . 8 . HN parsed_2mu3 1
60 1 2 . . . . . . . . . 5 . HA* parsed_2mu3 1
60 1 2 . . . . . . . . . 8 . HA* parsed_2mu3 1
61 1 1 . . . . . . . . . 163 . HN parsed_2mu3 1
61 1 2 . . . . . . . . . 162 . HA parsed_2mu3 1
61 1 2 . . . . . . . . . 163 . HA parsed_2mu3 1
62 1 1 . . . . . . . . . 144 . HN parsed_2mu3 1
62 1 2 . . . . . . . . . 143 . HA parsed_2mu3 1
62 1 2 . . . . . . . . . 144 . HA parsed_2mu3 1
63 1 1 . . . . . . . . . 31 . HN parsed_2mu3 1
63 1 1 . . . . . . . . . 34 . HN parsed_2mu3 1
63 1 2 . . . . . . . . . 32 . HB* parsed_2mu3 1
64 1 1 . . . . . . . . . 113 . HN parsed_2mu3 1
64 1 2 . . . . . . . . . 110 . HA parsed_2mu3 1
64 1 2 . . . . . . . . . 110 . HB* parsed_2mu3 1
65 1 1 . . . . . . . . . 164 . HN parsed_2mu3 1
65 1 1 . . . . . . . . . 177 . HN parsed_2mu3 1
65 1 2 . . . . . . . . . 164 . HG2* parsed_2mu3 1
65 1 2 . . . . . . . . . 177 . HG2* parsed_2mu3 1
66 1 1 . . . . . . . . . 104 . HD2* parsed_2mu3 1
66 1 2 . . . . . . . . . 100 . HG parsed_2mu3 1
66 1 2 . . . . . . . . . 108 . HG parsed_2mu3 1
67 1 1 . . . . . . . . . 67 . HN parsed_2mu3 1
67 1 1 . . . . . . . . . 124 . HN parsed_2mu3 1
67 1 2 . . . . . . . . . 66 . HD* parsed_2mu3 1
67 1 2 . . . . . . . . . 120 . HG* parsed_2mu3 1
68 1 1 . . . . . . . . . 87 . HN parsed_2mu3 1
68 1 1 . . . . . . . . . 133 . HN parsed_2mu3 1
68 1 2 . . . . . . . . . 86 . HA parsed_2mu3 1
68 1 2 . . . . . . . . . 133 . HB* parsed_2mu3 1
69 1 1 . . . . . . . . . 51 . HN parsed_2mu3 1
69 1 2 . . . . . . . . . 51 . HB* parsed_2mu3 1
69 1 2 . . . . . . . . . 56 . HB* parsed_2mu3 1
70 1 1 . . . . . . . . . 41 . HE2* parsed_2mu3 1
70 1 1 . . . . . . . . . 61 . HN parsed_2mu3 1
70 1 1 . . . . . . . . . 72 . HE2* parsed_2mu3 1
70 1 2 . . . . . . . . . 41 . HG* parsed_2mu3 1
70 1 2 . . . . . . . . . 61 . HB parsed_2mu3 1
70 1 2 . . . . . . . . . 72 . HG* parsed_2mu3 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
2 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
3 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
4 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
5 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
6 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
7 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
8 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
9 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
10 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
11 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
12 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
13 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
14 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
15 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
16 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
17 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
18 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
19 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
20 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
21 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
22 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
23 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
24 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
25 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
26 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
27 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
28 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
29 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
30 1 . . . . . 3.900 1.800 6.000 parsed_2mu3 1
31 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
32 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
33 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
34 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
35 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
36 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
37 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
38 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
39 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
40 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
41 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
42 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
43 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
44 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
45 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
46 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
47 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
48 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
49 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
50 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
51 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
52 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
53 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
54 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
55 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
56 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
57 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
58 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
59 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
60 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
61 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
62 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
63 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
64 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
65 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
66 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
67 1 . . . . . 3.400 1.800 5.000 parsed_2mu3 1
68 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 1
69 1 . . . . . 2.300 1.800 2.800 parsed_2mu3 1
70 1 . . . . . 2.900 1.800 4.000 parsed_2mu3 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 "#############Ambiguous restraints###############" 1 1 1 50 parsed_2mu3 1
2 "incr to 4.0 after round 182w. (47 viol avg 0.236)" 14 27 14 78 parsed_2mu3 1
3 "incr to 6.0 after round 13. (63 viol avg 0.516)" 136 27 136 76 parsed_2mu3 1
4 "incr to 5.0 after round 15. (47 viol avg 0.296)" 171 27 171 76 parsed_2mu3 1
5 "incr to 5.0 after round 182w. (66 viol avg 0.265)" 247 27 247 78 parsed_2mu3 1
6 "assign ((resid 10 and name HN))" 253 1 253 38 parsed_2mu3 1
7 "could be commented out due to major violation after round 4" 257 27 257 88 parsed_2mu3 1
8 "incr to 5.0 after round 13. (48 viol avg 0.435)" 292 27 292 76 parsed_2mu3 1
9 "incr to 5.0 after round 15. (38 viol avg 0.389)" 301 27 301 76 parsed_2mu3 1
10
;
Erronous non-ambiguous restraints go through manually and discard or correct (i.e no HB* to HB* found)
Erronous ambiguous restraints go through manually and discard or correct (i.e no HB* to HB* found)
;
323 1 324 100 parsed_2mu3 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
((resid 84 and name HA)
or (resid 122 and name HB*)
or (resid 92 and name HA))
3.900 2.100 2.100 ! could be commented out due to major violation after round 4
;
254 10 257 25 parsed_2mu3 1
stop_
save_
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