NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
37730 |
1q2z   |
5912 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 96 |
data_1q2z_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1q2z
_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_1q2z 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1q2z
_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 1q2z "Master copy" parsed_1q2z
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1q2z
_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 1q2z.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1q2z 1
1 1q2z.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1q2z 1
1 1q2z.mr . . XPLOR/CNS 3 distance NOE simple 373 parsed_1q2z 1
1 1q2z.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1q2z 1
1 1q2z.mr . . XPLOR/CNS 5 distance NOE simple 992 parsed_1q2z 1
1 1q2z.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1q2z 1
1 1q2z.mr . . XPLOR/CNS 7 distance NOE simple 194 parsed_1q2z 1
1 1q2z.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1q2z 1
1 1q2z.mr . . XPLOR/CNS 9 distance NOE simple 245 parsed_1q2z 1
1 1q2z.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1q2z 1
1 1q2z.mr . . XPLOR/CNS 11 distance NOE ambi 59 parsed_1q2z 1
1 1q2z.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1q2z 1
1 1q2z.mr . . XPLOR/CNS 13 distance "hydrogen bond" simple 96 parsed_1q2z 1
1 1q2z.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1q2z 1
stop_
save_
save_CNS/XPLOR_distance_constraints_13
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1q2z
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 13
_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_1q2z 1
2 1 . . . parsed_1q2z 1
3 1 . . . parsed_1q2z 1
4 1 . . . parsed_1q2z 1
5 1 . . . parsed_1q2z 1
6 1 . . . parsed_1q2z 1
7 1 . . . parsed_1q2z 1
8 1 . . . parsed_1q2z 1
9 1 . . . parsed_1q2z 1
10 1 . . . parsed_1q2z 1
11 1 . . . parsed_1q2z 1
12 1 . . . parsed_1q2z 1
13 1 . . . parsed_1q2z 1
14 1 . . . parsed_1q2z 1
15 1 . . . parsed_1q2z 1
16 1 . . . parsed_1q2z 1
17 1 . . . parsed_1q2z 1
18 1 . . . parsed_1q2z 1
19 1 . . . parsed_1q2z 1
20 1 . . . parsed_1q2z 1
21 1 . . . parsed_1q2z 1
22 1 . . . parsed_1q2z 1
23 1 . . . parsed_1q2z 1
24 1 . . . parsed_1q2z 1
25 1 . . . parsed_1q2z 1
26 1 . . . parsed_1q2z 1
27 1 . . . parsed_1q2z 1
28 1 . . . parsed_1q2z 1
29 1 . . . parsed_1q2z 1
30 1 . . . parsed_1q2z 1
31 1 . . . parsed_1q2z 1
32 1 . . . parsed_1q2z 1
33 1 . . . parsed_1q2z 1
34 1 . . . parsed_1q2z 1
35 1 . . . parsed_1q2z 1
36 1 . . . parsed_1q2z 1
37 1 . . . parsed_1q2z 1
38 1 . . . parsed_1q2z 1
39 1 . . . parsed_1q2z 1
40 1 . . . parsed_1q2z 1
41 1 . . . parsed_1q2z 1
42 1 . . . parsed_1q2z 1
43 1 . . . parsed_1q2z 1
44 1 . . . parsed_1q2z 1
45 1 . . . parsed_1q2z 1
46 1 . . . parsed_1q2z 1
47 1 . . . parsed_1q2z 1
48 1 . . . parsed_1q2z 1
49 1 . . . parsed_1q2z 1
50 1 . . . parsed_1q2z 1
51 1 . . . parsed_1q2z 1
52 1 . . . parsed_1q2z 1
53 1 . . . parsed_1q2z 1
54 1 . . . parsed_1q2z 1
55 1 . . . parsed_1q2z 1
56 1 . . . parsed_1q2z 1
57 1 . . . parsed_1q2z 1
58 1 . . . parsed_1q2z 1
59 1 . . . parsed_1q2z 1
60 1 . . . parsed_1q2z 1
61 1 . . . parsed_1q2z 1
62 1 . . . parsed_1q2z 1
63 1 . . . parsed_1q2z 1
64 1 . . . parsed_1q2z 1
65 1 . . . parsed_1q2z 1
66 1 . . . parsed_1q2z 1
67 1 . . . parsed_1q2z 1
68 1 . . . parsed_1q2z 1
69 1 . . . parsed_1q2z 1
70 1 . . . parsed_1q2z 1
71 1 . . . parsed_1q2z 1
72 1 . . . parsed_1q2z 1
73 1 . . . parsed_1q2z 1
74 1 . . . parsed_1q2z 1
75 1 . . . parsed_1q2z 1
76 1 . . . parsed_1q2z 1
77 1 . . . parsed_1q2z 1
78 1 . . . parsed_1q2z 1
79 1 . . . parsed_1q2z 1
80 1 . . . parsed_1q2z 1
81 1 . . . parsed_1q2z 1
82 1 . . . parsed_1q2z 1
83 1 . . . parsed_1q2z 1
84 1 . . . parsed_1q2z 1
85 1 . . . parsed_1q2z 1
86 1 . . . parsed_1q2z 1
87 1 . . . parsed_1q2z 1
88 1 . . . parsed_1q2z 1
89 1 . . . parsed_1q2z 1
90 1 . . . parsed_1q2z 1
91 1 . . . parsed_1q2z 1
92 1 . . . parsed_1q2z 1
93 1 . . . parsed_1q2z 1
94 1 . . . parsed_1q2z 1
95 1 . . . parsed_1q2z 1
96 1 . . . parsed_1q2z 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 . . . . . . . . . 10 . N parsed_1q2z 1
1 1 2 . . . . . . . . . "5: 7" . O parsed_1q2z 1
2 1 1 . . . . . . . . . 10 . HN parsed_1q2z 1
2 1 2 . . . . . . . . . "5: 7" . O parsed_1q2z 1
3 1 1 . . . . . . . . . 11 . N parsed_1q2z 1
3 1 2 . . . . . . . . . "6: 8" . O parsed_1q2z 1
4 1 1 . . . . . . . . . 11 . HN parsed_1q2z 1
4 1 2 . . . . . . . . . "6: 8" . O parsed_1q2z 1
5 1 1 . . . . . . . . . 12 . N parsed_1q2z 1
5 1 2 . . . . . . . . . "7: 9" . O parsed_1q2z 1
6 1 1 . . . . . . . . . 12 . HN parsed_1q2z 1
6 1 2 . . . . . . . . . "7: 9" . O parsed_1q2z 1
7 1 1 . . . . . . . . . 13 . N parsed_1q2z 1
7 1 2 . . . . . . . . . "8: 10" . O parsed_1q2z 1
8 1 1 . . . . . . . . . 13 . HN parsed_1q2z 1
8 1 2 . . . . . . . . . "8: 10" . O parsed_1q2z 1
9 1 1 . . . . . . . . . 14 . N parsed_1q2z 1
9 1 2 . . . . . . . . . "9: 11" . O parsed_1q2z 1
10 1 1 . . . . . . . . . 14 . HN parsed_1q2z 1
10 1 2 . . . . . . . . . "9: 11" . O parsed_1q2z 1
11 1 1 . . . . . . . . . 25 . N parsed_1q2z 1
11 1 2 . . . . . . . . . "20: 22" . O parsed_1q2z 1
12 1 1 . . . . . . . . . 25 . HN parsed_1q2z 1
12 1 2 . . . . . . . . . "20: 22" . O parsed_1q2z 1
13 1 1 . . . . . . . . . 26 . N parsed_1q2z 1
13 1 2 . . . . . . . . . "21: 23" . O parsed_1q2z 1
14 1 1 . . . . . . . . . 26 . HN parsed_1q2z 1
14 1 2 . . . . . . . . . "21: 23" . O parsed_1q2z 1
15 1 1 . . . . . . . . . 27 . N parsed_1q2z 1
15 1 2 . . . . . . . . . "22: 24" . O parsed_1q2z 1
16 1 1 . . . . . . . . . 27 . HN parsed_1q2z 1
16 1 2 . . . . . . . . . "22: 24" . O parsed_1q2z 1
17 1 1 . . . . . . . . . 28 . N parsed_1q2z 1
17 1 2 . . . . . . . . . "23: 25" . O parsed_1q2z 1
18 1 1 . . . . . . . . . 28 . HN parsed_1q2z 1
18 1 2 . . . . . . . . . "23: 25" . O parsed_1q2z 1
19 1 1 . . . . . . . . . 29 . N parsed_1q2z 1
19 1 2 . . . . . . . . . "24: 26" . O parsed_1q2z 1
20 1 1 . . . . . . . . . 29 . HN parsed_1q2z 1
20 1 2 . . . . . . . . . "24: 26" . O parsed_1q2z 1
21 1 1 . . . . . . . . . 30 . N parsed_1q2z 1
21 1 2 . . . . . . . . . "25: 27" . O parsed_1q2z 1
22 1 1 . . . . . . . . . 30 . HN parsed_1q2z 1
22 1 2 . . . . . . . . . "25: 27" . O parsed_1q2z 1
23 1 1 . . . . . . . . . 31 . N parsed_1q2z 1
23 1 2 . . . . . . . . . "26: 28" . O parsed_1q2z 1
24 1 1 . . . . . . . . . 31 . HN parsed_1q2z 1
24 1 2 . . . . . . . . . "26: 28" . O parsed_1q2z 1
25 1 1 . . . . . . . . . 32 . N parsed_1q2z 1
25 1 2 . . . . . . . . . "27: 29" . O parsed_1q2z 1
26 1 1 . . . . . . . . . 32 . HN parsed_1q2z 1
26 1 2 . . . . . . . . . "27: 29" . O parsed_1q2z 1
27 1 1 . . . . . . . . . 33 . N parsed_1q2z 1
27 1 2 . . . . . . . . . "28: 30" . O parsed_1q2z 1
28 1 1 . . . . . . . . . 33 . HN parsed_1q2z 1
28 1 2 . . . . . . . . . "28: 30" . O parsed_1q2z 1
29 1 1 . . . . . . . . . 34 . N parsed_1q2z 1
29 1 2 . . . . . . . . . "29: 31" . O parsed_1q2z 1
30 1 1 . . . . . . . . . 34 . HN parsed_1q2z 1
30 1 2 . . . . . . . . . "29: 31" . O parsed_1q2z 1
31 1 1 . . . . . . . . . 35 . N parsed_1q2z 1
31 1 2 . . . . . . . . . "30: 32" . O parsed_1q2z 1
32 1 1 . . . . . . . . . 35 . HN parsed_1q2z 1
32 1 2 . . . . . . . . . "30: 32" . O parsed_1q2z 1
33 1 1 . . . . . . . . . 48 . N parsed_1q2z 1
33 1 2 . . . . . . . . . "43: 45" . O parsed_1q2z 1
34 1 1 . . . . . . . . . 48 . HN parsed_1q2z 1
34 1 2 . . . . . . . . . "43: 45" . O parsed_1q2z 1
35 1 1 . . . . . . . . . 49 . N parsed_1q2z 1
35 1 2 . . . . . . . . . "44: 46" . O parsed_1q2z 1
36 1 1 . . . . . . . . . 49 . HN parsed_1q2z 1
36 1 2 . . . . . . . . . "44: 46" . O parsed_1q2z 1
37 1 1 . . . . . . . . . 50 . N parsed_1q2z 1
37 1 2 . . . . . . . . . "45: 47" . O parsed_1q2z 1
38 1 1 . . . . . . . . . 50 . HN parsed_1q2z 1
38 1 2 . . . . . . . . . "45: 47" . O parsed_1q2z 1
39 1 1 . . . . . . . . . 51 . N parsed_1q2z 1
39 1 2 . . . . . . . . . "46: 48" . O parsed_1q2z 1
40 1 1 . . . . . . . . . 51 . HN parsed_1q2z 1
40 1 2 . . . . . . . . . "46: 48" . O parsed_1q2z 1
41 1 1 . . . . . . . . . 52 . N parsed_1q2z 1
41 1 2 . . . . . . . . . "47: 49" . O parsed_1q2z 1
42 1 1 . . . . . . . . . 52 . HN parsed_1q2z 1
42 1 2 . . . . . . . . . "47: 49" . O parsed_1q2z 1
43 1 1 . . . . . . . . . 53 . N parsed_1q2z 1
43 1 2 . . . . . . . . . "48: 50" . O parsed_1q2z 1
44 1 1 . . . . . . . . . 53 . HN parsed_1q2z 1
44 1 2 . . . . . . . . . "48: 50" . O parsed_1q2z 1
45 1 1 . . . . . . . . . 54 . N parsed_1q2z 1
45 1 2 . . . . . . . . . "49: 51" . O parsed_1q2z 1
46 1 1 . . . . . . . . . 54 . HN parsed_1q2z 1
46 1 2 . . . . . . . . . "49: 51" . O parsed_1q2z 1
47 1 1 . . . . . . . . . 55 . N parsed_1q2z 1
47 1 2 . . . . . . . . . "50: 52" . O parsed_1q2z 1
48 1 1 . . . . . . . . . 55 . HN parsed_1q2z 1
48 1 2 . . . . . . . . . "50: 52" . O parsed_1q2z 1
49 1 1 . . . . . . . . . 56 . N parsed_1q2z 1
49 1 2 . . . . . . . . . "51: 53" . O parsed_1q2z 1
50 1 1 . . . . . . . . . 56 . HN parsed_1q2z 1
50 1 2 . . . . . . . . . "51: 53" . O parsed_1q2z 1
51 1 1 . . . . . . . . . 57 . N parsed_1q2z 1
51 1 2 . . . . . . . . . "52: 54" . O parsed_1q2z 1
52 1 1 . . . . . . . . . 57 . HN parsed_1q2z 1
52 1 2 . . . . . . . . . "52: 54" . O parsed_1q2z 1
53 1 1 . . . . . . . . . 58 . N parsed_1q2z 1
53 1 2 . . . . . . . . . "53: 55" . O parsed_1q2z 1
54 1 1 . . . . . . . . . 58 . HN parsed_1q2z 1
54 1 2 . . . . . . . . . "53: 55" . O parsed_1q2z 1
55 1 1 . . . . . . . . . 59 . N parsed_1q2z 1
55 1 2 . . . . . . . . . "54: 56" . O parsed_1q2z 1
56 1 1 . . . . . . . . . 59 . HN parsed_1q2z 1
56 1 2 . . . . . . . . . "54: 56" . O parsed_1q2z 1
57 1 1 . . . . . . . . . 60 . N parsed_1q2z 1
57 1 2 . . . . . . . . . "55: 57" . O parsed_1q2z 1
58 1 1 . . . . . . . . . 60 . HN parsed_1q2z 1
58 1 2 . . . . . . . . . "55: 57" . O parsed_1q2z 1
59 1 1 . . . . . . . . . 68 . N parsed_1q2z 1
59 1 2 . . . . . . . . . "63: 65" . O parsed_1q2z 1
60 1 1 . . . . . . . . . 68 . HN parsed_1q2z 1
60 1 2 . . . . . . . . . "63: 65" . O parsed_1q2z 1
61 1 1 . . . . . . . . . 69 . N parsed_1q2z 1
61 1 2 . . . . . . . . . "64: 66" . O parsed_1q2z 1
62 1 1 . . . . . . . . . 69 . HN parsed_1q2z 1
62 1 2 . . . . . . . . . "64: 66" . O parsed_1q2z 1
63 1 1 . . . . . . . . . 70 . N parsed_1q2z 1
63 1 2 . . . . . . . . . "65: 67" . O parsed_1q2z 1
64 1 1 . . . . . . . . . 70 . HN parsed_1q2z 1
64 1 2 . . . . . . . . . "65: 67" . O parsed_1q2z 1
65 1 1 . . . . . . . . . 71 . N parsed_1q2z 1
65 1 2 . . . . . . . . . "66: 68" . O parsed_1q2z 1
66 1 1 . . . . . . . . . 71 . HN parsed_1q2z 1
66 1 2 . . . . . . . . . "66: 68" . O parsed_1q2z 1
67 1 1 . . . . . . . . . 72 . N parsed_1q2z 1
67 1 2 . . . . . . . . . "67: 69" . O parsed_1q2z 1
68 1 1 . . . . . . . . . 72 . HN parsed_1q2z 1
68 1 2 . . . . . . . . . "67: 69" . O parsed_1q2z 1
69 1 1 . . . . . . . . . 73 . N parsed_1q2z 1
69 1 2 . . . . . . . . . "68: 70" . O parsed_1q2z 1
70 1 1 . . . . . . . . . 73 . HN parsed_1q2z 1
70 1 2 . . . . . . . . . "68: 70" . O parsed_1q2z 1
71 1 1 . . . . . . . . . 74 . N parsed_1q2z 1
71 1 2 . . . . . . . . . "69: 71" . O parsed_1q2z 1
72 1 1 . . . . . . . . . 74 . HN parsed_1q2z 1
72 1 2 . . . . . . . . . "69: 71" . O parsed_1q2z 1
73 1 1 . . . . . . . . . 75 . N parsed_1q2z 1
73 1 2 . . . . . . . . . "70: 72" . O parsed_1q2z 1
74 1 1 . . . . . . . . . 75 . HN parsed_1q2z 1
74 1 2 . . . . . . . . . "70: 72" . O parsed_1q2z 1
75 1 1 . . . . . . . . . 76 . N parsed_1q2z 1
75 1 2 . . . . . . . . . "71: 73" . O parsed_1q2z 1
76 1 1 . . . . . . . . . 76 . HN parsed_1q2z 1
76 1 2 . . . . . . . . . "71: 73" . O parsed_1q2z 1
77 1 1 . . . . . . . . . 77 . N parsed_1q2z 1
77 1 2 . . . . . . . . . "72: 74" . O parsed_1q2z 1
78 1 1 . . . . . . . . . 77 . HN parsed_1q2z 1
78 1 2 . . . . . . . . . "72: 74" . O parsed_1q2z 1
79 1 1 . . . . . . . . . 78 . N parsed_1q2z 1
79 1 2 . . . . . . . . . "73: 75" . O parsed_1q2z 1
80 1 1 . . . . . . . . . 78 . HN parsed_1q2z 1
80 1 2 . . . . . . . . . "73: 75" . O parsed_1q2z 1
81 1 1 . . . . . . . . . 79 . N parsed_1q2z 1
81 1 2 . . . . . . . . . "74: 76" . O parsed_1q2z 1
82 1 1 . . . . . . . . . 79 . HN parsed_1q2z 1
82 1 2 . . . . . . . . . "74: 76" . O parsed_1q2z 1
83 1 1 . . . . . . . . . 88 . N parsed_1q2z 1
83 1 2 . . . . . . . . . "83: 85" . O parsed_1q2z 1
84 1 1 . . . . . . . . . 88 . HN parsed_1q2z 1
84 1 2 . . . . . . . . . "83: 85" . O parsed_1q2z 1
85 1 1 . . . . . . . . . 89 . N parsed_1q2z 1
85 1 2 . . . . . . . . . "84: 86" . O parsed_1q2z 1
86 1 1 . . . . . . . . . 89 . HN parsed_1q2z 1
86 1 2 . . . . . . . . . "84: 86" . O parsed_1q2z 1
87 1 1 . . . . . . . . . 90 . N parsed_1q2z 1
87 1 2 . . . . . . . . . "85: 87" . O parsed_1q2z 1
88 1 1 . . . . . . . . . 90 . HN parsed_1q2z 1
88 1 2 . . . . . . . . . "85: 87" . O parsed_1q2z 1
89 1 1 . . . . . . . . . 91 . N parsed_1q2z 1
89 1 2 . . . . . . . . . "86: 88" . O parsed_1q2z 1
90 1 1 . . . . . . . . . 91 . HN parsed_1q2z 1
90 1 2 . . . . . . . . . "86: 88" . O parsed_1q2z 1
91 1 1 . . . . . . . . . 92 . N parsed_1q2z 1
91 1 2 . . . . . . . . . "87: 89" . O parsed_1q2z 1
92 1 1 . . . . . . . . . 92 . HN parsed_1q2z 1
92 1 2 . . . . . . . . . "87: 89" . O parsed_1q2z 1
93 1 1 . . . . . . . . . 114 . N parsed_1q2z 1
93 1 2 . . . . . . . . . 109:111 . O parsed_1q2z 1
94 1 1 . . . . . . . . . 114 . HN parsed_1q2z 1
94 1 2 . . . . . . . . . 109:111 . O parsed_1q2z 1
95 1 1 . . . . . . . . . 115 . N parsed_1q2z 1
95 1 2 . . . . . . . . . 110:112 . O parsed_1q2z 1
96 1 1 . . . . . . . . . 115 . HN parsed_1q2z 1
96 1 2 . . . . . . . . . 110:112 . O parsed_1q2z 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 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
2 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
3 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
4 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
5 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
6 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
7 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
8 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
9 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
10 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
11 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
12 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
13 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
14 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
15 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
16 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
17 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
18 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
19 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
20 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
21 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
22 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
23 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
24 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
25 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
26 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
27 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
28 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
29 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
30 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
31 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
32 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
33 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
34 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
35 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
36 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
37 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
38 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
39 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
40 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
41 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
42 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
43 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
44 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
45 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
46 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
47 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
48 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
49 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
50 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
51 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
52 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
53 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
54 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
55 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
56 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
57 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
58 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
59 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
60 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
61 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
62 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
63 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
64 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
65 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
66 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
67 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
68 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
69 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
70 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
71 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
72 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
73 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
74 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
75 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
76 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
77 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
78 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
79 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
80 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
81 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
82 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
83 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
84 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
85 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
86 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
87 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
88 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
89 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
90 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
91 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
92 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
93 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
94 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 1
95 1 . . . . . 3.2 2.2 3.2 parsed_1q2z 1
96 1 . . . . . 2.2 1.2 2.2 parsed_1q2z 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 36 and name N) (resid 31: 33 and name O) 3.2 1.0 0.0
assign (resid 36 and name HN) (resid 31: 33 and name O) 2.2 1.0 0.0
assign (resid 37 and name N) (resid 32: 34 and name O) 3.2 1.0 0.0
assign (resid 37 and name HN) (resid 32: 34 and name O) 2.2 1.0 0.0
;
66 1 72 72 parsed_1q2z 1
2
;
assign (resid 61 and name N) (resid 56: 58 and name O) 3.2 1.0 0.0
assign (resid 61 and name HN) (resid 56: 58 and name O) 2.2 1.0 0.0
;
126 1 128 72 parsed_1q2z 1
3
;
assign (resid 93 and name N) (resid 88: 90 and name O) 3.2 1.0 0.0
assign (resid 93 and name HN) (resid 88: 90 and name O) 2.2 1.0 0.0
;
198 1 200 72 parsed_1q2z 1
stop_
save_
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