NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
476697 |
2kv3   |
16767 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 114 |
data_2kv3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kv3
_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_2kv3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kv3
_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 2kv3 "Master copy" parsed_2kv3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kv3
_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 2kv3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kv3 1
1 2kv3.mr . . XPLOR/CNS 2 distance NOE simple 1326 parsed_2kv3 1
1 2kv3.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 201 parsed_2kv3 1
1 2kv3.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 114 parsed_2kv3 1
1 2kv3.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kv3 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kv3
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_2kv3 1
2 1 . . . parsed_2kv3 1
3 1 . . . parsed_2kv3 1
4 1 . . . parsed_2kv3 1
5 1 . . . parsed_2kv3 1
6 1 . . . parsed_2kv3 1
7 1 . . . parsed_2kv3 1
8 1 . . . parsed_2kv3 1
9 1 . . . parsed_2kv3 1
10 1 . . . parsed_2kv3 1
11 1 . . . parsed_2kv3 1
12 1 . . . parsed_2kv3 1
13 1 . . . parsed_2kv3 1
14 1 . . . parsed_2kv3 1
15 1 . . . parsed_2kv3 1
16 1 . . . parsed_2kv3 1
17 1 . . . parsed_2kv3 1
18 1 . . . parsed_2kv3 1
19 1 . . . parsed_2kv3 1
20 1 . . . parsed_2kv3 1
21 1 . . . parsed_2kv3 1
22 1 . . . parsed_2kv3 1
23 1 . . . parsed_2kv3 1
24 1 . . . parsed_2kv3 1
25 1 . . . parsed_2kv3 1
26 1 . . . parsed_2kv3 1
27 1 . . . parsed_2kv3 1
28 1 . . . parsed_2kv3 1
29 1 . . . parsed_2kv3 1
30 1 . . . parsed_2kv3 1
31 1 . . . parsed_2kv3 1
32 1 . . . parsed_2kv3 1
33 1 . . . parsed_2kv3 1
34 1 . . . parsed_2kv3 1
35 1 . . . parsed_2kv3 1
36 1 . . . parsed_2kv3 1
37 1 . . . parsed_2kv3 1
38 1 . . . parsed_2kv3 1
39 1 . . . parsed_2kv3 1
40 1 . . . parsed_2kv3 1
41 1 . . . parsed_2kv3 1
42 1 . . . parsed_2kv3 1
43 1 . . . parsed_2kv3 1
44 1 . . . parsed_2kv3 1
45 1 . . . parsed_2kv3 1
46 1 . . . parsed_2kv3 1
47 1 . . . parsed_2kv3 1
48 1 . . . parsed_2kv3 1
49 1 . . . parsed_2kv3 1
50 1 . . . parsed_2kv3 1
51 1 . . . parsed_2kv3 1
52 1 . . . parsed_2kv3 1
53 1 . . . parsed_2kv3 1
54 1 . . . parsed_2kv3 1
55 1 . . . parsed_2kv3 1
56 1 . . . parsed_2kv3 1
57 1 . . . parsed_2kv3 1
58 1 . . . parsed_2kv3 1
59 1 . . . parsed_2kv3 1
60 1 . . . parsed_2kv3 1
61 1 . . . parsed_2kv3 1
62 1 . . . parsed_2kv3 1
63 1 . . . parsed_2kv3 1
64 1 . . . parsed_2kv3 1
65 1 . . . parsed_2kv3 1
66 1 . . . parsed_2kv3 1
67 1 . . . parsed_2kv3 1
68 1 . . . parsed_2kv3 1
69 1 . . . parsed_2kv3 1
70 1 . . . parsed_2kv3 1
71 1 . . . parsed_2kv3 1
72 1 . . . parsed_2kv3 1
73 1 . . . parsed_2kv3 1
74 1 . . . parsed_2kv3 1
75 1 . . . parsed_2kv3 1
76 1 . . . parsed_2kv3 1
77 1 . . . parsed_2kv3 1
78 1 . . . parsed_2kv3 1
79 1 . . . parsed_2kv3 1
80 1 . . . parsed_2kv3 1
81 1 . . . parsed_2kv3 1
82 1 . . . parsed_2kv3 1
83 1 . . . parsed_2kv3 1
84 1 . . . parsed_2kv3 1
85 1 . . . parsed_2kv3 1
86 1 . . . parsed_2kv3 1
87 1 . . . parsed_2kv3 1
88 1 . . . parsed_2kv3 1
89 1 . . . parsed_2kv3 1
90 1 . . . parsed_2kv3 1
91 1 . . . parsed_2kv3 1
92 1 . . . parsed_2kv3 1
93 1 . . . parsed_2kv3 1
94 1 . . . parsed_2kv3 1
95 1 . . . parsed_2kv3 1
96 1 . . . parsed_2kv3 1
97 1 . . . parsed_2kv3 1
98 1 . . . parsed_2kv3 1
99 1 . . . parsed_2kv3 1
100 1 . . . parsed_2kv3 1
101 1 . . . parsed_2kv3 1
102 1 . . . parsed_2kv3 1
103 1 . . . parsed_2kv3 1
104 1 . . . parsed_2kv3 1
105 1 . . . parsed_2kv3 1
106 1 . . . parsed_2kv3 1
107 1 . . . parsed_2kv3 1
108 1 . . . parsed_2kv3 1
109 1 . . . parsed_2kv3 1
110 1 . . . parsed_2kv3 1
111 1 . . . parsed_2kv3 1
112 1 . . . parsed_2kv3 1
113 1 . . . parsed_2kv3 1
114 1 . . . parsed_2kv3 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 . . . . . . . . . 16 . HN parsed_2kv3 1
1 1 2 . . . . . . . . . 127 . O parsed_2kv3 1
2 1 1 . . . . . . . . . 16 . N parsed_2kv3 1
2 1 2 . . . . . . . . . 127 . O parsed_2kv3 1
3 1 1 . . . . . . . . . 18 . HN parsed_2kv3 1
3 1 2 . . . . . . . . . 125 . O parsed_2kv3 1
4 1 1 . . . . . . . . . 18 . N parsed_2kv3 1
4 1 2 . . . . . . . . . 125 . O parsed_2kv3 1
5 1 1 . . . . . . . . . 22 . HN parsed_2kv3 1
5 1 2 . . . . . . . . . 123 . O parsed_2kv3 1
6 1 1 . . . . . . . . . 22 . N parsed_2kv3 1
6 1 2 . . . . . . . . . 123 . O parsed_2kv3 1
7 1 1 . . . . . . . . . 27 . HN parsed_2kv3 1
7 1 2 . . . . . . . . . 23 . O parsed_2kv3 1
8 1 1 . . . . . . . . . 27 . N parsed_2kv3 1
8 1 2 . . . . . . . . . 23 . O parsed_2kv3 1
9 1 1 . . . . . . . . . 28 . HN parsed_2kv3 1
9 1 2 . . . . . . . . . 24 . O parsed_2kv3 1
10 1 1 . . . . . . . . . 28 . N parsed_2kv3 1
10 1 2 . . . . . . . . . 24 . O parsed_2kv3 1
11 1 1 . . . . . . . . . 29 . HN parsed_2kv3 1
11 1 2 . . . . . . . . . 25 . O parsed_2kv3 1
12 1 1 . . . . . . . . . 29 . N parsed_2kv3 1
12 1 2 . . . . . . . . . 25 . O parsed_2kv3 1
13 1 1 . . . . . . . . . 30 . HN parsed_2kv3 1
13 1 2 . . . . . . . . . 26 . O parsed_2kv3 1
14 1 1 . . . . . . . . . 30 . N parsed_2kv3 1
14 1 2 . . . . . . . . . 26 . O parsed_2kv3 1
15 1 1 . . . . . . . . . 32 . HN parsed_2kv3 1
15 1 2 . . . . . . . . . 28 . O parsed_2kv3 1
16 1 1 . . . . . . . . . 32 . N parsed_2kv3 1
16 1 2 . . . . . . . . . 28 . O parsed_2kv3 1
17 1 1 . . . . . . . . . 33 . HN parsed_2kv3 1
17 1 2 . . . . . . . . . 31 . O parsed_2kv3 1
18 1 1 . . . . . . . . . 37 . HN parsed_2kv3 1
18 1 2 . . . . . . . . . 35 . O parsed_2kv3 1
19 1 1 . . . . . . . . . 37 . N parsed_2kv3 1
19 1 2 . . . . . . . . . 35 . O parsed_2kv3 1
20 1 1 . . . . . . . . . 39 . HN parsed_2kv3 1
20 1 2 . . . . . . . . . 128 . O parsed_2kv3 1
21 1 1 . . . . . . . . . 39 . N parsed_2kv3 1
21 1 2 . . . . . . . . . 128 . O parsed_2kv3 1
22 1 1 . . . . . . . . . 49 . N parsed_2kv3 1
22 1 2 . . . . . . . . . 46 . O parsed_2kv3 1
23 1 1 . . . . . . . . . 51 . HN parsed_2kv3 1
23 1 2 . . . . . . . . . 47 . O parsed_2kv3 1
24 1 1 . . . . . . . . . 51 . N parsed_2kv3 1
24 1 2 . . . . . . . . . 47 . O parsed_2kv3 1
25 1 1 . . . . . . . . . 52 . HN parsed_2kv3 1
25 1 2 . . . . . . . . . 48 . O parsed_2kv3 1
26 1 1 . . . . . . . . . 52 . N parsed_2kv3 1
26 1 2 . . . . . . . . . 48 . O parsed_2kv3 1
27 1 1 . . . . . . . . . 53 . HN parsed_2kv3 1
27 1 2 . . . . . . . . . 49 . O parsed_2kv3 1
28 1 1 . . . . . . . . . 53 . N parsed_2kv3 1
28 1 2 . . . . . . . . . 49 . O parsed_2kv3 1
29 1 1 . . . . . . . . . 54 . HN parsed_2kv3 1
29 1 2 . . . . . . . . . 50 . O parsed_2kv3 1
30 1 1 . . . . . . . . . 54 . N parsed_2kv3 1
30 1 2 . . . . . . . . . 50 . O parsed_2kv3 1
31 1 1 . . . . . . . . . 55 . HN parsed_2kv3 1
31 1 2 . . . . . . . . . 51 . O parsed_2kv3 1
32 1 1 . . . . . . . . . 55 . N parsed_2kv3 1
32 1 2 . . . . . . . . . 51 . O parsed_2kv3 1
33 1 1 . . . . . . . . . 56 . HN parsed_2kv3 1
33 1 2 . . . . . . . . . 52 . O parsed_2kv3 1
34 1 1 . . . . . . . . . 56 . N parsed_2kv3 1
34 1 2 . . . . . . . . . 52 . O parsed_2kv3 1
35 1 1 . . . . . . . . . 66 . HN parsed_2kv3 1
35 1 2 . . . . . . . . . 124 . O parsed_2kv3 1
36 1 1 . . . . . . . . . 66 . N parsed_2kv3 1
36 1 2 . . . . . . . . . 124 . O parsed_2kv3 1
37 1 1 . . . . . . . . . 69 . HN parsed_2kv3 1
37 1 2 . . . . . . . . . 67 . O parsed_2kv3 1
38 1 1 . . . . . . . . . 69 . N parsed_2kv3 1
38 1 2 . . . . . . . . . 67 . O parsed_2kv3 1
39 1 1 . . . . . . . . . 83 . HN parsed_2kv3 1
39 1 2 . . . . . . . . . 80 . O parsed_2kv3 1
40 1 1 . . . . . . . . . 83 . N parsed_2kv3 1
40 1 2 . . . . . . . . . 80 . O parsed_2kv3 1
41 1 1 . . . . . . . . . 102 . N parsed_2kv3 1
41 1 2 . . . . . . . . . 99 . O parsed_2kv3 1
42 1 1 . . . . . . . . . 104 . HN parsed_2kv3 1
42 1 2 . . . . . . . . . 115 . O parsed_2kv3 1
43 1 1 . . . . . . . . . 104 . N parsed_2kv3 1
43 1 2 . . . . . . . . . 115 . O parsed_2kv3 1
44 1 1 . . . . . . . . . 117 . HN parsed_2kv3 1
44 1 2 . . . . . . . . . 102 . O parsed_2kv3 1
45 1 1 . . . . . . . . . 117 . N parsed_2kv3 1
45 1 2 . . . . . . . . . 102 . O parsed_2kv3 1
46 1 1 . . . . . . . . . 121 . HN parsed_2kv3 1
46 1 2 . . . . . . . . . 118 . O parsed_2kv3 1
47 1 1 . . . . . . . . . 121 . N parsed_2kv3 1
47 1 2 . . . . . . . . . 118 . O parsed_2kv3 1
48 1 1 . . . . . . . . . 123 . HN parsed_2kv3 1
48 1 2 . . . . . . . . . 22 . O parsed_2kv3 1
49 1 1 . . . . . . . . . 123 . N parsed_2kv3 1
49 1 2 . . . . . . . . . 22 . O parsed_2kv3 1
50 1 1 . . . . . . . . . 125 . N parsed_2kv3 1
50 1 2 . . . . . . . . . 18 . O parsed_2kv3 1
51 1 1 . . . . . . . . . 126 . HN parsed_2kv3 1
51 1 2 . . . . . . . . . 66 . O parsed_2kv3 1
52 1 1 . . . . . . . . . 126 . N parsed_2kv3 1
52 1 2 . . . . . . . . . 66 . O parsed_2kv3 1
53 1 1 . . . . . . . . . 127 . HN parsed_2kv3 1
53 1 2 . . . . . . . . . 16 . O parsed_2kv3 1
54 1 1 . . . . . . . . . 127 . N parsed_2kv3 1
54 1 2 . . . . . . . . . 16 . O parsed_2kv3 1
55 1 1 . . . . . . . . . 128 . HN parsed_2kv3 1
55 1 2 . . . . . . . . . 39 . O parsed_2kv3 1
56 1 1 . . . . . . . . . 128 . N parsed_2kv3 1
56 1 2 . . . . . . . . . 39 . O parsed_2kv3 1
57 1 1 . . . . . . . . . 129 . N parsed_2kv3 1
57 1 2 . . . . . . . . . 14 . O parsed_2kv3 1
58 1 1 . . . . . . . . . 16 . HN parsed_2kv3 1
58 1 2 . . . . . . . . . 127 . O parsed_2kv3 1
59 1 1 . . . . . . . . . 16 . N parsed_2kv3 1
59 1 2 . . . . . . . . . 127 . O parsed_2kv3 1
60 1 1 . . . . . . . . . 18 . HN parsed_2kv3 1
60 1 2 . . . . . . . . . 125 . O parsed_2kv3 1
61 1 1 . . . . . . . . . 18 . N parsed_2kv3 1
61 1 2 . . . . . . . . . 125 . O parsed_2kv3 1
62 1 1 . . . . . . . . . 22 . HN parsed_2kv3 1
62 1 2 . . . . . . . . . 123 . O parsed_2kv3 1
63 1 1 . . . . . . . . . 22 . N parsed_2kv3 1
63 1 2 . . . . . . . . . 123 . O parsed_2kv3 1
64 1 1 . . . . . . . . . 27 . HN parsed_2kv3 1
64 1 2 . . . . . . . . . 23 . O parsed_2kv3 1
65 1 1 . . . . . . . . . 27 . N parsed_2kv3 1
65 1 2 . . . . . . . . . 23 . O parsed_2kv3 1
66 1 1 . . . . . . . . . 28 . HN parsed_2kv3 1
66 1 2 . . . . . . . . . 24 . O parsed_2kv3 1
67 1 1 . . . . . . . . . 28 . N parsed_2kv3 1
67 1 2 . . . . . . . . . 24 . O parsed_2kv3 1
68 1 1 . . . . . . . . . 29 . HN parsed_2kv3 1
68 1 2 . . . . . . . . . 25 . O parsed_2kv3 1
69 1 1 . . . . . . . . . 29 . N parsed_2kv3 1
69 1 2 . . . . . . . . . 25 . O parsed_2kv3 1
70 1 1 . . . . . . . . . 30 . HN parsed_2kv3 1
70 1 2 . . . . . . . . . 26 . O parsed_2kv3 1
71 1 1 . . . . . . . . . 30 . N parsed_2kv3 1
71 1 2 . . . . . . . . . 26 . O parsed_2kv3 1
72 1 1 . . . . . . . . . 32 . HN parsed_2kv3 1
72 1 2 . . . . . . . . . 28 . O parsed_2kv3 1
73 1 1 . . . . . . . . . 32 . N parsed_2kv3 1
73 1 2 . . . . . . . . . 28 . O parsed_2kv3 1
74 1 1 . . . . . . . . . 33 . HN parsed_2kv3 1
74 1 2 . . . . . . . . . 31 . O parsed_2kv3 1
75 1 1 . . . . . . . . . 37 . HN parsed_2kv3 1
75 1 2 . . . . . . . . . 35 . O parsed_2kv3 1
76 1 1 . . . . . . . . . 37 . N parsed_2kv3 1
76 1 2 . . . . . . . . . 35 . O parsed_2kv3 1
77 1 1 . . . . . . . . . 39 . HN parsed_2kv3 1
77 1 2 . . . . . . . . . 128 . O parsed_2kv3 1
78 1 1 . . . . . . . . . 39 . N parsed_2kv3 1
78 1 2 . . . . . . . . . 128 . O parsed_2kv3 1
79 1 1 . . . . . . . . . 49 . N parsed_2kv3 1
79 1 2 . . . . . . . . . 46 . O parsed_2kv3 1
80 1 1 . . . . . . . . . 51 . HN parsed_2kv3 1
80 1 2 . . . . . . . . . 47 . O parsed_2kv3 1
81 1 1 . . . . . . . . . 51 . N parsed_2kv3 1
81 1 2 . . . . . . . . . 47 . O parsed_2kv3 1
82 1 1 . . . . . . . . . 52 . HN parsed_2kv3 1
82 1 2 . . . . . . . . . 48 . O parsed_2kv3 1
83 1 1 . . . . . . . . . 52 . N parsed_2kv3 1
83 1 2 . . . . . . . . . 48 . O parsed_2kv3 1
84 1 1 . . . . . . . . . 53 . HN parsed_2kv3 1
84 1 2 . . . . . . . . . 49 . O parsed_2kv3 1
85 1 1 . . . . . . . . . 53 . N parsed_2kv3 1
85 1 2 . . . . . . . . . 49 . O parsed_2kv3 1
86 1 1 . . . . . . . . . 54 . HN parsed_2kv3 1
86 1 2 . . . . . . . . . 50 . O parsed_2kv3 1
87 1 1 . . . . . . . . . 54 . N parsed_2kv3 1
87 1 2 . . . . . . . . . 50 . O parsed_2kv3 1
88 1 1 . . . . . . . . . 55 . HN parsed_2kv3 1
88 1 2 . . . . . . . . . 51 . O parsed_2kv3 1
89 1 1 . . . . . . . . . 55 . N parsed_2kv3 1
89 1 2 . . . . . . . . . 51 . O parsed_2kv3 1
90 1 1 . . . . . . . . . 56 . HN parsed_2kv3 1
90 1 2 . . . . . . . . . 52 . O parsed_2kv3 1
91 1 1 . . . . . . . . . 56 . N parsed_2kv3 1
91 1 2 . . . . . . . . . 52 . O parsed_2kv3 1
92 1 1 . . . . . . . . . 66 . HN parsed_2kv3 1
92 1 2 . . . . . . . . . 124 . O parsed_2kv3 1
93 1 1 . . . . . . . . . 66 . N parsed_2kv3 1
93 1 2 . . . . . . . . . 124 . O parsed_2kv3 1
94 1 1 . . . . . . . . . 69 . HN parsed_2kv3 1
94 1 2 . . . . . . . . . 67 . O parsed_2kv3 1
95 1 1 . . . . . . . . . 69 . N parsed_2kv3 1
95 1 2 . . . . . . . . . 67 . O parsed_2kv3 1
96 1 1 . . . . . . . . . 83 . HN parsed_2kv3 1
96 1 2 . . . . . . . . . 80 . O parsed_2kv3 1
97 1 1 . . . . . . . . . 83 . N parsed_2kv3 1
97 1 2 . . . . . . . . . 80 . O parsed_2kv3 1
98 1 1 . . . . . . . . . 102 . N parsed_2kv3 1
98 1 2 . . . . . . . . . 99 . O parsed_2kv3 1
99 1 1 . . . . . . . . . 104 . HN parsed_2kv3 1
99 1 2 . . . . . . . . . 115 . O parsed_2kv3 1
100 1 1 . . . . . . . . . 104 . N parsed_2kv3 1
100 1 2 . . . . . . . . . 115 . O parsed_2kv3 1
101 1 1 . . . . . . . . . 117 . HN parsed_2kv3 1
101 1 2 . . . . . . . . . 102 . O parsed_2kv3 1
102 1 1 . . . . . . . . . 117 . N parsed_2kv3 1
102 1 2 . . . . . . . . . 102 . O parsed_2kv3 1
103 1 1 . . . . . . . . . 121 . HN parsed_2kv3 1
103 1 2 . . . . . . . . . 118 . O parsed_2kv3 1
104 1 1 . . . . . . . . . 121 . N parsed_2kv3 1
104 1 2 . . . . . . . . . 118 . O parsed_2kv3 1
105 1 1 . . . . . . . . . 123 . HN parsed_2kv3 1
105 1 2 . . . . . . . . . 22 . O parsed_2kv3 1
106 1 1 . . . . . . . . . 123 . N parsed_2kv3 1
106 1 2 . . . . . . . . . 22 . O parsed_2kv3 1
107 1 1 . . . . . . . . . 125 . N parsed_2kv3 1
107 1 2 . . . . . . . . . 18 . O parsed_2kv3 1
108 1 1 . . . . . . . . . 126 . HN parsed_2kv3 1
108 1 2 . . . . . . . . . 66 . O parsed_2kv3 1
109 1 1 . . . . . . . . . 126 . N parsed_2kv3 1
109 1 2 . . . . . . . . . 66 . O parsed_2kv3 1
110 1 1 . . . . . . . . . 127 . HN parsed_2kv3 1
110 1 2 . . . . . . . . . 16 . O parsed_2kv3 1
111 1 1 . . . . . . . . . 127 . N parsed_2kv3 1
111 1 2 . . . . . . . . . 16 . O parsed_2kv3 1
112 1 1 . . . . . . . . . 128 . HN parsed_2kv3 1
112 1 2 . . . . . . . . . 39 . O parsed_2kv3 1
113 1 1 . . . . . . . . . 128 . N parsed_2kv3 1
113 1 2 . . . . . . . . . 39 . O parsed_2kv3 1
114 1 1 . . . . . . . . . 129 . N parsed_2kv3 1
114 1 2 . . . . . . . . . 14 . O parsed_2kv3 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 . . . . . 2.3 1.8 2.6 parsed_2kv3 1
2 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
3 1 . . . . . 2.3 1.8 2.7 parsed_2kv3 1
4 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
5 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
6 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
7 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
8 1 . . . . . 2.5 2.0 2.8 parsed_2kv3 1
9 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
10 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
11 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
12 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
13 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
14 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
15 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
16 1 . . . . . 3.3 2.6 3.6 parsed_2kv3 1
17 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
18 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
19 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
20 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
21 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
22 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
23 1 . . . . . 2.3 1.8 2.7 parsed_2kv3 1
24 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
25 1 . . . . . 2.3 1.8 2.7 parsed_2kv3 1
26 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
27 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
28 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
29 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
30 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
31 1 . . . . . 2.3 1.80 2.65 parsed_2kv3 1
32 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
33 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
34 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
35 1 . . . . . 2.3 1.8 2.9 parsed_2kv3 1
36 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
37 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
38 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
39 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
40 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
41 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
42 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
43 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
44 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
45 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
46 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
47 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
48 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
49 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
50 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
51 1 . . . . . 2.3 1.8 2.7 parsed_2kv3 1
52 1 . . . . . 3.3 2.8 3.8 parsed_2kv3 1
53 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
54 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
55 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
56 1 . . . . . 3.3 2.6 3.6 parsed_2kv3 1
57 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
58 1 . . . . . 2.3 1.8 2.6 parsed_2kv3 1
59 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
60 1 . . . . . 2.3 1.8 2.7 parsed_2kv3 1
61 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
62 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
63 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
64 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
65 1 . . . . . 2.5 2.0 2.8 parsed_2kv3 1
66 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
67 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
68 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
69 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
70 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
71 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
72 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
73 1 . . . . . 3.3 2.6 3.6 parsed_2kv3 1
74 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
75 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
76 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
77 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
78 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
79 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
80 1 . . . . . 2.3 1.8 2.7 parsed_2kv3 1
81 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
82 1 . . . . . 2.3 1.8 2.7 parsed_2kv3 1
83 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
84 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
85 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
86 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
87 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
88 1 . . . . . 2.3 1.80 2.65 parsed_2kv3 1
89 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
90 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
91 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
92 1 . . . . . 2.3 1.8 2.9 parsed_2kv3 1
93 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
94 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
95 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
96 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
97 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
98 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
99 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
100 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
101 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
102 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
103 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
104 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
105 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
106 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
107 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
108 1 . . . . . 2.3 1.8 2.7 parsed_2kv3 1
109 1 . . . . . 3.3 2.8 3.8 parsed_2kv3 1
110 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
111 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 1
112 1 . . . . . 2.3 1.8 2.5 parsed_2kv3 1
113 1 . . . . . 3.3 2.6 3.6 parsed_2kv3 1
114 1 . . . . . 3.3 2.8 3.6 parsed_2kv3 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
;
assign (resid 8 and name HN ) (resid 15 and name O ) 2.3 0.5 0.35 ! 0610 open
assign (resid 8 and name N ) (resid 15 and name O ) 3.3 0.5 0.3 ! 0610 open
assign (resid 14 and name HN ) (resid 129 and name O ) 2.3 0.5 0.4 ! 0610 open
assign (resid 14 and name N ) (resid 129 and name O ) 3.3 0.5 0.5
;
1 1 4 70 parsed_2kv3 1
2 "0610 block" 5 68 5 82 parsed_2kv3 1
3 "0610 block" 6 67 6 82 parsed_2kv3 1
4 "0610 block" 7 68 7 83 parsed_2kv3 1
5 "0610 block" 8 67 8 82 parsed_2kv3 1
6
;
assign (resid 24 and name HN ) (resid 119 and name O ) 2.3 0.5 0.4
assign (resid 24 and name N ) (resid 119 and name O ) 3.3 0.5 0.3
;
11 1 12 70 parsed_2kv3 1
7 "assign (resid 33 and name N ) (resid 31 and name O ) 3.3 0.5 0.3" 24 1 24 69 parsed_2kv3 1
8 "0610 block" 25 67 25 83 parsed_2kv3 1
9 "0610 block" 26 66 26 81 parsed_2kv3 1
10
;
assign (resid 41 and name HN ) (resid 126 and name O ) 2.3 0.5 0.35 ! 0709 block
assign (resid 41 and name N ) (resid 126 and name O ) 3.3 0.5 0.3 ! 0709 block
assign (resid 48 and name HN ) (resid 45 and name O ) 2.3 0.5 0.2 ! 0610 block
assign (resid 48 and name N ) (resid 45 and name O ) 3.3 0.5 0.3 ! 0610 block
assign (resid 49 and name HN ) (resid 46 and name O ) 2.3 0.5 0.2
;
29 1 33 70 parsed_2kv3 1
11 "0611 mod" 35 67 35 77 parsed_2kv3 1
12 "0611 mod" 36 66 36 76 parsed_2kv3 1
13 "0610 add" 39 67 39 80 parsed_2kv3 1
14 "0610 add" 40 66 40 77 parsed_2kv3 1
15 "0610 mod" 43 68 43 81 parsed_2kv3 1
16 "0610 mod" 44 66 44 79 parsed_2kv3 1
17
;
assign (resid 67 and name HN ) (resid 103 and name O ) 2.3 0.5 0.4 ! 0610 mod
assign (resid 67 and name N ) (resid 103 and name O ) 3.3 0.5 0.5 ! 0610 mod
assign (resid 68 and name HN ) (resid 41 and name O ) 2.3 0.5 0.3 ! 0724 block
assign (resid 68 and name N ) (resid 41 and name O ) 3.3 0.5 0.3 ! 0724 block
;
49 1 52 79 parsed_2kv3 1
18
;
assign (resid 71 and name HN ) (resid 99 and name O ) 2.3 0.5 0.4
assign (resid 71 and name N ) (resid 99 and name O ) 3.3 1.3 0.3
;
54 66 56 69 parsed_2kv3 1
19 "assign (resid 102 and name HN ) (resid 99 and name O ) 2.3 0.5 0.4 !" 59 1 59 70 parsed_2kv3 1
20
;
assign (resid 103 and name HN ) (resid 69 and name O ) 2.3 0.5 0.2
assign (resid 103 and name N ) (resid 69 and name O ) 3.3 0.5 0.3
;
61 1 62 68 parsed_2kv3 1
21 "0610 add" 63 69 63 82 parsed_2kv3 1
22
;
0610 add
assign (resid 105 and name HN ) (resid 65 and name O ) 2.3 0.5 0.2
assign (resid 105 and name N ) (resid 65 and name O ) 3.3 0.5 0.3
assign (resid 106 and name HN ) (resid 113 and name O ) 2.3 0.5 0.2
assign (resid 106 and name N ) (resid 113 and name O ) 3.3 0.5 0.3
assign (resid 110 and name HN ) (resid 107 and name O ) 2.3 0.5 0.2 ! 512 block
assign (resid 110 and name N ) (resid 107 and name O ) 3.3 0.5 0.3 ! 0610 block
assign (resid 111 and name HN ) (resid 106 and name O ) 2.3 0.5 0.2 ! 428 block
assign (resid 111 and name N ) (resid 106 and name O ) 3.3 0.5 0.3 ! 512 block
;
64 68 72 80 parsed_2kv3 1
23 "assign (resid 125 and name HN ) (resid 18 and name O ) 2.3 0.5 0.2 ! 0724 block" 79 1 79 81 parsed_2kv3 1
24 "0610 mod" 81 68 81 78 parsed_2kv3 1
25 "0610 mod" 82 67 82 77 parsed_2kv3 1
26 "assign (resid 129 and name HN ) (resid 14 and name O ) 2.3 0.5 0.2 ! 0724 block" 87 1 87 83 parsed_2kv3 1
27
;
assign (resid 130 and name HN ) (resid 37 and name O ) 2.3 0.5 0.3 !
assign (resid 130 and name N ) (resid 37 and name O ) 3.3 0.5 0.3
assign (resid 8 and name HN ) (resid 15 and name O ) 2.3 0.5 0.35 ! 0610 open
assign (resid 8 and name N ) (resid 15 and name O ) 3.3 0.5 0.3 ! 0610 open
assign (resid 14 and name HN ) (resid 129 and name O ) 2.3 0.5 0.4 ! 0610 open
assign (resid 14 and name N ) (resid 129 and name O ) 3.3 0.5 0.5
;
89 1 95 70 parsed_2kv3 1
28 "0610 block" 96 68 96 82 parsed_2kv3 1
29 "0610 block" 97 67 97 82 parsed_2kv3 1
30 "0610 block" 98 68 98 83 parsed_2kv3 1
31 "0610 block" 99 67 99 82 parsed_2kv3 1
32
;
assign (resid 24 and name HN ) (resid 119 and name O ) 2.3 0.5 0.4
assign (resid 24 and name N ) (resid 119 and name O ) 3.3 0.5 0.3
;
102 1 103 70 parsed_2kv3 1
33 "assign (resid 33 and name N ) (resid 31 and name O ) 3.3 0.5 0.3" 115 1 115 69 parsed_2kv3 1
34 "0610 block" 116 67 116 83 parsed_2kv3 1
35 "0610 block" 117 66 117 81 parsed_2kv3 1
36
;
assign (resid 41 and name HN ) (resid 126 and name O ) 2.3 0.5 0.35 ! 0709 block
assign (resid 41 and name N ) (resid 126 and name O ) 3.3 0.5 0.3 ! 0709 block
assign (resid 48 and name HN ) (resid 45 and name O ) 2.3 0.5 0.2 ! 0610 block
assign (resid 48 and name N ) (resid 45 and name O ) 3.3 0.5 0.3 ! 0610 block
assign (resid 49 and name HN ) (resid 46 and name O ) 2.3 0.5 0.2
;
120 1 124 70 parsed_2kv3 1
37 "0611 mod" 126 67 126 77 parsed_2kv3 1
38 "0611 mod" 127 66 127 76 parsed_2kv3 1
39 "0610 add" 130 67 130 80 parsed_2kv3 1
40 "0610 add" 131 66 131 77 parsed_2kv3 1
41 "0610 mod" 134 68 134 81 parsed_2kv3 1
42 "0610 mod" 135 66 135 79 parsed_2kv3 1
43
;
assign (resid 67 and name HN ) (resid 103 and name O ) 2.3 0.5 0.4 ! 0610 mod
assign (resid 67 and name N ) (resid 103 and name O ) 3.3 0.5 0.5 ! 0610 mod
assign (resid 68 and name HN ) (resid 41 and name O ) 2.3 0.5 0.3 ! 0724 block
assign (resid 68 and name N ) (resid 41 and name O ) 3.3 0.5 0.3 ! 0724 block
;
140 1 143 79 parsed_2kv3 1
44
;
assign (resid 71 and name HN ) (resid 99 and name O ) 2.3 0.5 0.4
assign (resid 71 and name N ) (resid 99 and name O ) 3.3 1.3 0.3
;
145 66 147 69 parsed_2kv3 1
45 "assign (resid 102 and name HN ) (resid 99 and name O ) 2.3 0.5 0.4 !" 150 1 150 70 parsed_2kv3 1
46
;
assign (resid 103 and name HN ) (resid 69 and name O ) 2.3 0.5 0.2
assign (resid 103 and name N ) (resid 69 and name O ) 3.3 0.5 0.3
;
152 1 153 68 parsed_2kv3 1
47 "0610 add" 154 69 154 82 parsed_2kv3 1
48
;
0610 add
assign (resid 105 and name HN ) (resid 65 and name O ) 2.3 0.5 0.2
assign (resid 105 and name N ) (resid 65 and name O ) 3.3 0.5 0.3
assign (resid 106 and name HN ) (resid 113 and name O ) 2.3 0.5 0.2
assign (resid 106 and name N ) (resid 113 and name O ) 3.3 0.5 0.3
assign (resid 110 and name HN ) (resid 107 and name O ) 2.3 0.5 0.2 ! 512 block
assign (resid 110 and name N ) (resid 107 and name O ) 3.3 0.5 0.3 ! 0610 block
assign (resid 111 and name HN ) (resid 106 and name O ) 2.3 0.5 0.2 ! 428 block
assign (resid 111 and name N ) (resid 106 and name O ) 3.3 0.5 0.3 ! 512 block
;
155 68 163 80 parsed_2kv3 1
49 "assign (resid 125 and name HN ) (resid 18 and name O ) 2.3 0.5 0.2 ! 0724 block" 170 1 170 81 parsed_2kv3 1
50 "0610 mod" 172 68 172 78 parsed_2kv3 1
51 "0610 mod" 173 67 173 77 parsed_2kv3 1
52 "assign (resid 129 and name HN ) (resid 14 and name O ) 2.3 0.5 0.2 ! 0724 block" 178 1 178 83 parsed_2kv3 1
53
;
assign (resid 130 and name HN ) (resid 37 and name O ) 2.3 0.5 0.3 !
assign (resid 130 and name N ) (resid 37 and name O ) 3.3 0.5 0.3
;
180 1 181 70 parsed_2kv3 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 5:56:37 AM GMT (wattos1)