NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
492490 |
2kcw   |
16098 | cing | 2-parsed | STAR | distance | NOE | ambi | 55 |
data_2kcw_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kcw
_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_2kcw 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kcw
_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 2kcw "Master copy" parsed_2kcw
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kcw
_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 2kcw.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kcw 1
1 2kcw.mr . . AMBER 2 "dihedral angle" "Not applicable" "Not applicable" 151 parsed_2kcw 1
1 2kcw.mr . . AMBER 3 distance NOE ambi 55 parsed_2kcw 1
1 2kcw.mr . . AMBER 4 stereochemistry chirality "Not applicable" 0 parsed_2kcw 1
1 2kcw.mr . . AMBER 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kcw 1
1 2kcw.mr . . AMBER 6 distance NOE ambi 0 parsed_2kcw 1
1 2kcw.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kcw 1
stop_
save_
save_AMBER_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kcw
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_2kcw 1
2 1 . . . parsed_2kcw 1
3 1 . . . parsed_2kcw 1
4 1 . . . parsed_2kcw 1
5 1 . . . parsed_2kcw 1
6 1 . . . parsed_2kcw 1
7 1 . . . parsed_2kcw 1
8 1 . . . parsed_2kcw 1
9 1 . . . parsed_2kcw 1
10 1 . . . parsed_2kcw 1
11 1 . . . parsed_2kcw 1
12 1 . . . parsed_2kcw 1
13 1 . . . parsed_2kcw 1
14 1 . . . parsed_2kcw 1
15 1 . . . parsed_2kcw 1
16 1 . . . parsed_2kcw 1
17 1 . . . parsed_2kcw 1
18 1 . . . parsed_2kcw 1
19 1 . . . parsed_2kcw 1
20 1 . . . parsed_2kcw 1
21 1 . . . parsed_2kcw 1
22 1 . . . parsed_2kcw 1
23 1 . . . parsed_2kcw 1
24 1 . . . parsed_2kcw 1
25 1 . . . parsed_2kcw 1
26 1 . . . parsed_2kcw 1
27 1 . . . parsed_2kcw 1
28 1 . . . parsed_2kcw 1
29 1 . . . parsed_2kcw 1
30 1 . . . parsed_2kcw 1
31 1 . . . parsed_2kcw 1
32 1 . . . parsed_2kcw 1
33 1 . . . parsed_2kcw 1
34 1 . . . parsed_2kcw 1
35 1 . . . parsed_2kcw 1
36 1 . . . parsed_2kcw 1
37 1 . . . parsed_2kcw 1
38 1 . . . parsed_2kcw 1
39 1 . . . parsed_2kcw 1
40 1 . . . parsed_2kcw 1
41 1 . . . parsed_2kcw 1
42 1 . . . parsed_2kcw 1
43 1 . . . parsed_2kcw 1
44 1 . . . parsed_2kcw 1
45 1 . . . parsed_2kcw 1
46 1 . . . parsed_2kcw 1
47 1 . . . parsed_2kcw 1
48 1 . . . parsed_2kcw 1
49 1 . . . parsed_2kcw 1
50 1 . . . parsed_2kcw 1
51 1 . . . parsed_2kcw 1
52 1 . . . parsed_2kcw 1
53 1 . . . parsed_2kcw 1
54 1 . . . parsed_2kcw 1
55 1 . . . parsed_2kcw 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 . . . . . . . . 2kcw_ambr001 53 TRP HZ3 parsed_2kcw 1
1 1 2 . . . . . . . . 2kcw_ambr001 53 TRP HH2 parsed_2kcw 1
2 1 1 . . . . . . . . 2kcw_ambr001 53 TRP HZ2 parsed_2kcw 1
2 1 2 . . . . . . . . 2kcw_ambr001 53 TRP HH2 parsed_2kcw 1
3 1 1 . . . . . . . . 2kcw_ambr001 66 MET HE1 parsed_2kcw 1
3 1 1 . . . . . . . . 2kcw_ambr001 66 MET HE2 parsed_2kcw 1
3 1 1 . . . . . . . . 2kcw_ambr001 66 MET HE3 parsed_2kcw 1
3 1 1 . . . . . . . . 2kcw_ambr001 68 LEU HB2 parsed_2kcw 1
3 1 1 . . . . . . . . 2kcw_ambr001 68 LEU HB3 parsed_2kcw 1
3 1 2 . . . . . . . . 2kcw_ambr001 53 TRP HD1 parsed_2kcw 1
4 1 1 . . . . . . . . 2kcw_ambr001 53 TRP HE1 parsed_2kcw 1
4 1 2 . . . . . . . . 2kcw_ambr001 53 TRP HD1 parsed_2kcw 1
5 1 1 . . . . . . . . 2kcw_ambr001 122 PHE HD1 parsed_2kcw 1
5 1 1 . . . . . . . . 2kcw_ambr001 122 PHE HD2 parsed_2kcw 1
5 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HE1 parsed_2kcw 1
5 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HE2 parsed_2kcw 1
6 1 1 . . . . . . . . 2kcw_ambr001 92 VAL HG11 parsed_2kcw 1
6 1 1 . . . . . . . . 2kcw_ambr001 92 VAL HG12 parsed_2kcw 1
6 1 1 . . . . . . . . 2kcw_ambr001 92 VAL HG13 parsed_2kcw 1
6 1 1 . . . . . . . . 2kcw_ambr001 92 VAL HG21 parsed_2kcw 1
6 1 1 . . . . . . . . 2kcw_ambr001 92 VAL HG22 parsed_2kcw 1
6 1 1 . . . . . . . . 2kcw_ambr001 92 VAL HG23 parsed_2kcw 1
6 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HE1 parsed_2kcw 1
6 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HE2 parsed_2kcw 1
7 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG11 parsed_2kcw 1
7 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG12 parsed_2kcw 1
7 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG13 parsed_2kcw 1
7 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG21 parsed_2kcw 1
7 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG22 parsed_2kcw 1
7 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG23 parsed_2kcw 1
7 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HE1 parsed_2kcw 1
7 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HE2 parsed_2kcw 1
8 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG11 parsed_2kcw 1
8 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG12 parsed_2kcw 1
8 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG13 parsed_2kcw 1
8 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG21 parsed_2kcw 1
8 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG22 parsed_2kcw 1
8 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG23 parsed_2kcw 1
8 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG11 parsed_2kcw 1
8 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG12 parsed_2kcw 1
8 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG13 parsed_2kcw 1
8 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG21 parsed_2kcw 1
8 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG22 parsed_2kcw 1
8 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG23 parsed_2kcw 1
8 1 2 . . . . . . . . 2kcw_ambr001 116 PHE HE1 parsed_2kcw 1
8 1 2 . . . . . . . . 2kcw_ambr001 116 PHE HE2 parsed_2kcw 1
9 1 1 . . . . . . . . 2kcw_ambr001 117 TYR HA parsed_2kcw 1
9 1 2 . . . . . . . . 2kcw_ambr001 117 TYR HD1 parsed_2kcw 1
9 1 2 . . . . . . . . 2kcw_ambr001 117 TYR HD2 parsed_2kcw 1
10 1 1 . . . . . . . . 2kcw_ambr001 117 TYR HB2 parsed_2kcw 1
10 1 1 . . . . . . . . 2kcw_ambr001 117 TYR HB3 parsed_2kcw 1
10 1 1 . . . . . . . . 2kcw_ambr001 117 TYR HB2 parsed_2kcw 1
10 1 1 . . . . . . . . 2kcw_ambr001 117 TYR HB3 parsed_2kcw 1
10 1 2 . . . . . . . . 2kcw_ambr001 117 TYR HD1 parsed_2kcw 1
10 1 2 . . . . . . . . 2kcw_ambr001 117 TYR HD2 parsed_2kcw 1
11 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG11 parsed_2kcw 1
11 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG12 parsed_2kcw 1
11 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG13 parsed_2kcw 1
11 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG21 parsed_2kcw 1
11 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG22 parsed_2kcw 1
11 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG23 parsed_2kcw 1
11 1 2 . . . . . . . . 2kcw_ambr001 117 TYR HD1 parsed_2kcw 1
11 1 2 . . . . . . . . 2kcw_ambr001 117 TYR HD2 parsed_2kcw 1
12 1 1 . . . . . . . . 2kcw_ambr001 142 LEU HD11 parsed_2kcw 1
12 1 1 . . . . . . . . 2kcw_ambr001 142 LEU HD12 parsed_2kcw 1
12 1 1 . . . . . . . . 2kcw_ambr001 142 LEU HD13 parsed_2kcw 1
12 1 1 . . . . . . . . 2kcw_ambr001 142 LEU HD21 parsed_2kcw 1
12 1 1 . . . . . . . . 2kcw_ambr001 142 LEU HD22 parsed_2kcw 1
12 1 1 . . . . . . . . 2kcw_ambr001 142 LEU HD23 parsed_2kcw 1
12 1 2 . . . . . . . . 2kcw_ambr001 117 TYR HD1 parsed_2kcw 1
12 1 2 . . . . . . . . 2kcw_ambr001 117 TYR HD2 parsed_2kcw 1
13 1 1 . . . . . . . . 2kcw_ambr001 116 PHE HE1 parsed_2kcw 1
13 1 1 . . . . . . . . 2kcw_ambr001 116 PHE HE2 parsed_2kcw 1
13 1 2 . . . . . . . . 2kcw_ambr001 116 PHE HD1 parsed_2kcw 1
13 1 2 . . . . . . . . 2kcw_ambr001 116 PHE HD2 parsed_2kcw 1
14 1 1 . . . . . . . . 2kcw_ambr001 116 PHE HB2 parsed_2kcw 1
14 1 1 . . . . . . . . 2kcw_ambr001 116 PHE HB3 parsed_2kcw 1
14 1 2 . . . . . . . . 2kcw_ambr001 116 PHE HD1 parsed_2kcw 1
14 1 2 . . . . . . . . 2kcw_ambr001 116 PHE HD2 parsed_2kcw 1
15 1 1 . . . . . . . . 2kcw_ambr001 16 LEU HB2 parsed_2kcw 1
15 1 1 . . . . . . . . 2kcw_ambr001 16 LEU HB3 parsed_2kcw 1
15 1 2 . . . . . . . . 2kcw_ambr001 65 PHE HD1 parsed_2kcw 1
15 1 2 . . . . . . . . 2kcw_ambr001 65 PHE HD2 parsed_2kcw 1
16 1 1 . . . . . . . . 2kcw_ambr001 31 LEU HD11 parsed_2kcw 1
16 1 1 . . . . . . . . 2kcw_ambr001 31 LEU HD12 parsed_2kcw 1
16 1 1 . . . . . . . . 2kcw_ambr001 31 LEU HD13 parsed_2kcw 1
16 1 1 . . . . . . . . 2kcw_ambr001 31 LEU HD21 parsed_2kcw 1
16 1 1 . . . . . . . . 2kcw_ambr001 31 LEU HD22 parsed_2kcw 1
16 1 1 . . . . . . . . 2kcw_ambr001 31 LEU HD23 parsed_2kcw 1
16 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD11 parsed_2kcw 1
16 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD12 parsed_2kcw 1
16 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD13 parsed_2kcw 1
16 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD21 parsed_2kcw 1
16 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD22 parsed_2kcw 1
16 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD23 parsed_2kcw 1
16 1 1 . . . . . . . . 2kcw_ambr001 109 GLN HB2 parsed_2kcw 1
16 1 1 . . . . . . . . 2kcw_ambr001 109 GLN HB3 parsed_2kcw 1
16 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HD1 parsed_2kcw 1
16 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HD2 parsed_2kcw 1
16 1 2 . . . . . . . . 2kcw_ambr001 30 PHE HD1 parsed_2kcw 1
16 1 2 . . . . . . . . 2kcw_ambr001 30 PHE HD2 parsed_2kcw 1
17 1 1 . . . . . . . . 2kcw_ambr001 38 GLU HB2 parsed_2kcw 1
17 1 1 . . . . . . . . 2kcw_ambr001 38 GLU HB3 parsed_2kcw 1
17 1 1 . . . . . . . . 2kcw_ambr001 109 GLN HG2 parsed_2kcw 1
17 1 1 . . . . . . . . 2kcw_ambr001 109 GLN HG3 parsed_2kcw 1
17 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HD1 parsed_2kcw 1
17 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HD2 parsed_2kcw 1
17 1 2 . . . . . . . . 2kcw_ambr001 30 PHE HD1 parsed_2kcw 1
17 1 2 . . . . . . . . 2kcw_ambr001 30 PHE HD2 parsed_2kcw 1
18 1 1 . . . . . . . . 2kcw_ambr001 35 TYR HA parsed_2kcw 1
18 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HD1 parsed_2kcw 1
18 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HD2 parsed_2kcw 1
19 1 1 . . . . . . . . 2kcw_ambr001 35 TYR HE1 parsed_2kcw 1
19 1 1 . . . . . . . . 2kcw_ambr001 35 TYR HE2 parsed_2kcw 1
19 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HD1 parsed_2kcw 1
19 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HD2 parsed_2kcw 1
20 1 1 . . . . . . . . 2kcw_ambr001 122 PHE HB2 parsed_2kcw 1
20 1 1 . . . . . . . . 2kcw_ambr001 122 PHE HB3 parsed_2kcw 1
20 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HD1 parsed_2kcw 1
20 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HD2 parsed_2kcw 1
21 1 1 . . . . . . . . 2kcw_ambr001 122 PHE HB2 parsed_2kcw 1
21 1 1 . . . . . . . . 2kcw_ambr001 122 PHE HB3 parsed_2kcw 1
21 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HD1 parsed_2kcw 1
21 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HD2 parsed_2kcw 1
22 1 1 . . . . . . . . 2kcw_ambr001 122 PHE H parsed_2kcw 1
22 1 1 . . . . . . . . 2kcw_ambr001 104 THR H parsed_2kcw 1
22 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HD1 parsed_2kcw 1
22 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HD2 parsed_2kcw 1
23 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD11 parsed_2kcw 1
23 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD12 parsed_2kcw 1
23 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD13 parsed_2kcw 1
23 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD21 parsed_2kcw 1
23 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD22 parsed_2kcw 1
23 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD23 parsed_2kcw 1
23 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD11 parsed_2kcw 1
23 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD12 parsed_2kcw 1
23 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD13 parsed_2kcw 1
23 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD21 parsed_2kcw 1
23 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD22 parsed_2kcw 1
23 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD23 parsed_2kcw 1
23 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HD1 parsed_2kcw 1
23 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HD2 parsed_2kcw 1
24 1 1 . . . . . . . . 2kcw_ambr001 144 TYR HB2 parsed_2kcw 1
24 1 1 . . . . . . . . 2kcw_ambr001 144 TYR HB3 parsed_2kcw 1
24 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HD1 parsed_2kcw 1
24 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HD2 parsed_2kcw 1
25 1 1 . . . . . . . . 2kcw_ambr001 144 TYR HB2 parsed_2kcw 1
25 1 1 . . . . . . . . 2kcw_ambr001 144 TYR HB3 parsed_2kcw 1
25 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HD1 parsed_2kcw 1
25 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HD2 parsed_2kcw 1
26 1 1 . . . . . . . . 2kcw_ambr001 144 TYR HE1 parsed_2kcw 1
26 1 1 . . . . . . . . 2kcw_ambr001 144 TYR HE2 parsed_2kcw 1
26 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HD1 parsed_2kcw 1
26 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HD2 parsed_2kcw 1
27 1 1 . . . . . . . . 2kcw_ambr001 122 PHE HE1 parsed_2kcw 1
27 1 1 . . . . . . . . 2kcw_ambr001 122 PHE HE2 parsed_2kcw 1
27 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HD1 parsed_2kcw 1
27 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HD2 parsed_2kcw 1
28 1 1 . . . . . . . . 2kcw_ambr001 135 LYS HB2 parsed_2kcw 1
28 1 1 . . . . . . . . 2kcw_ambr001 135 LYS HB3 parsed_2kcw 1
28 1 2 . . . . . . . . 2kcw_ambr001 137 TYR HD1 parsed_2kcw 1
28 1 2 . . . . . . . . 2kcw_ambr001 137 TYR HD2 parsed_2kcw 1
29 1 1 . . . . . . . . 2kcw_ambr001 137 TYR HB2 parsed_2kcw 1
29 1 1 . . . . . . . . 2kcw_ambr001 137 TYR HB3 parsed_2kcw 1
29 1 1 . . . . . . . . 2kcw_ambr001 137 TYR HB2 parsed_2kcw 1
29 1 1 . . . . . . . . 2kcw_ambr001 137 TYR HB3 parsed_2kcw 1
29 1 2 . . . . . . . . 2kcw_ambr001 137 TYR HD1 parsed_2kcw 1
29 1 2 . . . . . . . . 2kcw_ambr001 137 TYR HD2 parsed_2kcw 1
30 1 1 . . . . . . . . 2kcw_ambr001 109 GLN HE21 parsed_2kcw 1
30 1 1 . . . . . . . . 2kcw_ambr001 109 GLN HE22 parsed_2kcw 1
30 1 1 . . . . . . . . 2kcw_ambr001 137 TYR HE1 parsed_2kcw 1
30 1 1 . . . . . . . . 2kcw_ambr001 137 TYR HE2 parsed_2kcw 1
30 1 2 . . . . . . . . 2kcw_ambr001 137 TYR HD1 parsed_2kcw 1
30 1 2 . . . . . . . . 2kcw_ambr001 137 TYR HD2 parsed_2kcw 1
31 1 1 . . . . . . . . 2kcw_ambr001 35 TYR HD1 parsed_2kcw 1
31 1 1 . . . . . . . . 2kcw_ambr001 35 TYR HD2 parsed_2kcw 1
31 1 2 . . . . . . . . 2kcw_ambr001 137 TYR HD1 parsed_2kcw 1
31 1 2 . . . . . . . . 2kcw_ambr001 137 TYR HD2 parsed_2kcw 1
32 1 1 . . . . . . . . 2kcw_ambr001 53 TRP HH2 parsed_2kcw 1
32 1 2 . . . . . . . . 2kcw_ambr001 53 TRP HZ2 parsed_2kcw 1
33 1 1 . . . . . . . . 2kcw_ambr001 53 TRP HE1 parsed_2kcw 1
33 1 2 . . . . . . . . 2kcw_ambr001 53 TRP HZ2 parsed_2kcw 1
34 1 1 . . . . . . . . 2kcw_ambr001 106 VAL HG11 parsed_2kcw 1
34 1 1 . . . . . . . . 2kcw_ambr001 106 VAL HG12 parsed_2kcw 1
34 1 1 . . . . . . . . 2kcw_ambr001 106 VAL HG13 parsed_2kcw 1
34 1 1 . . . . . . . . 2kcw_ambr001 106 VAL HG21 parsed_2kcw 1
34 1 1 . . . . . . . . 2kcw_ambr001 106 VAL HG22 parsed_2kcw 1
34 1 1 . . . . . . . . 2kcw_ambr001 106 VAL HG23 parsed_2kcw 1
34 1 2 . . . . . . . . 2kcw_ambr001 117 TYR HE1 parsed_2kcw 1
34 1 2 . . . . . . . . 2kcw_ambr001 117 TYR HE2 parsed_2kcw 1
35 1 1 . . . . . . . . 2kcw_ambr001 76 LEU HD11 parsed_2kcw 1
35 1 1 . . . . . . . . 2kcw_ambr001 76 LEU HD12 parsed_2kcw 1
35 1 1 . . . . . . . . 2kcw_ambr001 76 LEU HD13 parsed_2kcw 1
35 1 1 . . . . . . . . 2kcw_ambr001 76 LEU HD21 parsed_2kcw 1
35 1 1 . . . . . . . . 2kcw_ambr001 76 LEU HD22 parsed_2kcw 1
35 1 1 . . . . . . . . 2kcw_ambr001 76 LEU HD23 parsed_2kcw 1
35 1 1 . . . . . . . . 2kcw_ambr001 92 VAL HG11 parsed_2kcw 1
35 1 1 . . . . . . . . 2kcw_ambr001 92 VAL HG12 parsed_2kcw 1
35 1 1 . . . . . . . . 2kcw_ambr001 92 VAL HG13 parsed_2kcw 1
35 1 1 . . . . . . . . 2kcw_ambr001 92 VAL HG21 parsed_2kcw 1
35 1 1 . . . . . . . . 2kcw_ambr001 92 VAL HG22 parsed_2kcw 1
35 1 1 . . . . . . . . 2kcw_ambr001 92 VAL HG23 parsed_2kcw 1
35 1 2 . . . . . . . . 2kcw_ambr001 117 TYR HE1 parsed_2kcw 1
35 1 2 . . . . . . . . 2kcw_ambr001 117 TYR HE2 parsed_2kcw 1
36 1 1 . . . . . . . . 2kcw_ambr001 116 PHE HE1 parsed_2kcw 1
36 1 1 . . . . . . . . 2kcw_ambr001 116 PHE HE2 parsed_2kcw 1
36 1 2 . . . . . . . . 2kcw_ambr001 117 TYR HE1 parsed_2kcw 1
36 1 2 . . . . . . . . 2kcw_ambr001 117 TYR HE2 parsed_2kcw 1
37 1 1 . . . . . . . . 2kcw_ambr001 144 TYR HD1 parsed_2kcw 1
37 1 1 . . . . . . . . 2kcw_ambr001 144 TYR HD2 parsed_2kcw 1
37 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HE1 parsed_2kcw 1
37 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HE2 parsed_2kcw 1
38 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG11 parsed_2kcw 1
38 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG12 parsed_2kcw 1
38 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG13 parsed_2kcw 1
38 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG21 parsed_2kcw 1
38 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG22 parsed_2kcw 1
38 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG23 parsed_2kcw 1
38 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG11 parsed_2kcw 1
38 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG12 parsed_2kcw 1
38 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG13 parsed_2kcw 1
38 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG21 parsed_2kcw 1
38 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG22 parsed_2kcw 1
38 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG23 parsed_2kcw 1
38 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HE1 parsed_2kcw 1
38 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HE2 parsed_2kcw 1
39 1 1 . . . . . . . . 2kcw_ambr001 35 TYR HD1 parsed_2kcw 1
39 1 1 . . . . . . . . 2kcw_ambr001 35 TYR HD2 parsed_2kcw 1
39 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HE1 parsed_2kcw 1
39 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HE2 parsed_2kcw 1
40 1 1 . . . . . . . . 2kcw_ambr001 135 LYS HD2 parsed_2kcw 1
40 1 1 . . . . . . . . 2kcw_ambr001 135 LYS HD3 parsed_2kcw 1
40 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HE1 parsed_2kcw 1
40 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HE2 parsed_2kcw 1
41 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD11 parsed_2kcw 1
41 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD12 parsed_2kcw 1
41 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD13 parsed_2kcw 1
41 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD21 parsed_2kcw 1
41 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD22 parsed_2kcw 1
41 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD23 parsed_2kcw 1
41 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HE1 parsed_2kcw 1
41 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HE2 parsed_2kcw 1
42 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD11 parsed_2kcw 1
42 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD12 parsed_2kcw 1
42 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD13 parsed_2kcw 1
42 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD21 parsed_2kcw 1
42 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD22 parsed_2kcw 1
42 1 1 . . . . . . . . 2kcw_ambr001 39 LEU HD23 parsed_2kcw 1
42 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HE1 parsed_2kcw 1
42 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HE2 parsed_2kcw 1
43 1 1 . . . . . . . . 2kcw_ambr001 74 ASP HA parsed_2kcw 1
43 1 2 . . . . . . . . 2kcw_ambr001 72 HIS HD2 parsed_2kcw 1
44 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD11 parsed_2kcw 1
44 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD12 parsed_2kcw 1
44 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD13 parsed_2kcw 1
44 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD21 parsed_2kcw 1
44 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD22 parsed_2kcw 1
44 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD23 parsed_2kcw 1
44 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD11 parsed_2kcw 1
44 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD12 parsed_2kcw 1
44 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD13 parsed_2kcw 1
44 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD21 parsed_2kcw 1
44 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD22 parsed_2kcw 1
44 1 1 . . . . . . . . 2kcw_ambr001 96 LEU HD23 parsed_2kcw 1
44 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HE1 parsed_2kcw 1
44 1 2 . . . . . . . . 2kcw_ambr001 144 TYR HE2 parsed_2kcw 1
45 1 1 . . . . . . . . 2kcw_ambr001 30 PHE HB2 parsed_2kcw 1
45 1 1 . . . . . . . . 2kcw_ambr001 30 PHE HB3 parsed_2kcw 1
45 1 2 . . . . . . . . 2kcw_ambr001 30 PHE HD1 parsed_2kcw 1
45 1 2 . . . . . . . . 2kcw_ambr001 30 PHE HD2 parsed_2kcw 1
46 1 1 . . . . . . . . 2kcw_ambr001 30 PHE HB2 parsed_2kcw 1
46 1 1 . . . . . . . . 2kcw_ambr001 30 PHE HB3 parsed_2kcw 1
46 1 2 . . . . . . . . 2kcw_ambr001 30 PHE HD1 parsed_2kcw 1
46 1 2 . . . . . . . . 2kcw_ambr001 30 PHE HD2 parsed_2kcw 1
47 1 1 . . . . . . . . 2kcw_ambr001 122 PHE HE1 parsed_2kcw 1
47 1 1 . . . . . . . . 2kcw_ambr001 122 PHE HE2 parsed_2kcw 1
47 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HD1 parsed_2kcw 1
47 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HD2 parsed_2kcw 1
48 1 1 . . . . . . . . 2kcw_ambr001 116 PHE HE1 parsed_2kcw 1
48 1 1 . . . . . . . . 2kcw_ambr001 116 PHE HE2 parsed_2kcw 1
48 1 2 . . . . . . . . 2kcw_ambr001 116 PHE HD1 parsed_2kcw 1
48 1 2 . . . . . . . . 2kcw_ambr001 116 PHE HD2 parsed_2kcw 1
49 1 1 . . . . . . . . 2kcw_ambr001 52 LEU HD11 parsed_2kcw 1
49 1 1 . . . . . . . . 2kcw_ambr001 52 LEU HD12 parsed_2kcw 1
49 1 1 . . . . . . . . 2kcw_ambr001 52 LEU HD13 parsed_2kcw 1
49 1 1 . . . . . . . . 2kcw_ambr001 52 LEU HD21 parsed_2kcw 1
49 1 1 . . . . . . . . 2kcw_ambr001 52 LEU HD22 parsed_2kcw 1
49 1 1 . . . . . . . . 2kcw_ambr001 52 LEU HD23 parsed_2kcw 1
49 1 2 . . . . . . . . 2kcw_ambr001 65 PHE HD1 parsed_2kcw 1
49 1 2 . . . . . . . . 2kcw_ambr001 65 PHE HD2 parsed_2kcw 1
50 1 1 . . . . . . . . 2kcw_ambr001 4 SER HB2 parsed_2kcw 1
50 1 1 . . . . . . . . 2kcw_ambr001 4 SER HB3 parsed_2kcw 1
50 1 2 . . . . . . . . 2kcw_ambr001 94 HIS HE1 parsed_2kcw 1
51 1 1 . . . . . . . . 2kcw_ambr001 133 LEU HG parsed_2kcw 1
51 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HE1 parsed_2kcw 1
51 1 2 . . . . . . . . 2kcw_ambr001 35 TYR HE2 parsed_2kcw 1
52 1 1 . . . . . . . . 2kcw_ambr001 137 TYR HD1 parsed_2kcw 1
52 1 1 . . . . . . . . 2kcw_ambr001 137 TYR HD2 parsed_2kcw 1
52 1 2 . . . . . . . . 2kcw_ambr001 137 TYR HE1 parsed_2kcw 1
52 1 2 . . . . . . . . 2kcw_ambr001 137 TYR HE2 parsed_2kcw 1
53 1 1 . . . . . . . . 2kcw_ambr001 32 SER H parsed_2kcw 1
53 1 2 . . . . . . . . 2kcw_ambr001 137 TYR HE1 parsed_2kcw 1
53 1 2 . . . . . . . . 2kcw_ambr001 137 TYR HE2 parsed_2kcw 1
54 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG11 parsed_2kcw 1
54 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG12 parsed_2kcw 1
54 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG13 parsed_2kcw 1
54 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG21 parsed_2kcw 1
54 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG22 parsed_2kcw 1
54 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG23 parsed_2kcw 1
54 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG11 parsed_2kcw 1
54 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG12 parsed_2kcw 1
54 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG13 parsed_2kcw 1
54 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG21 parsed_2kcw 1
54 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG22 parsed_2kcw 1
54 1 1 . . . . . . . . 2kcw_ambr001 120 VAL HG23 parsed_2kcw 1
54 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HD1 parsed_2kcw 1
54 1 2 . . . . . . . . 2kcw_ambr001 122 PHE HD2 parsed_2kcw 1
55 1 1 . . . . . . . . 2kcw_ambr001 112 GLN HE21 parsed_2kcw 1
55 1 1 . . . . . . . . 2kcw_ambr001 112 GLN HE22 parsed_2kcw 1
55 1 2 . . . . . . . . 2kcw_ambr001 30 PHE HE1 parsed_2kcw 1
55 1 2 . . . . . . . . 2kcw_ambr001 30 PHE HE2 parsed_2kcw 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 . . . . . 4.50 1.80 5.25 parsed_2kcw 1
2 1 . 1 . . . 4.50 1.80 5.25 parsed_2kcw 1
3 1 . 6 . . . 7.19 1.80 7.94 parsed_2kcw 1
4 1 . 8 . . . 4.50 1.80 5.25 parsed_2kcw 1
5 1 . 10 . . . 5.67 1.80 6.42 parsed_2kcw 1
6 1 . 11 . . . 8.32 1.80 9.07 parsed_2kcw 1
7 1 . 12 . . . 8.32 1.80 9.07 parsed_2kcw 1
8 1 . 14 . . . 9.34 1.80 10.09 parsed_2kcw 1
9 1 . 15 . . . 6.17 1.80 6.92 parsed_2kcw 1
10 1 . 16 . . . 7.78 1.80 8.53 parsed_2kcw 1
11 1 . 17 . . . 8.32 1.80 9.07 parsed_2kcw 1
12 1 . 18 . . . 8.32 1.80 9.07 parsed_2kcw 1
13 1 . 19 . . . 6.93 1.80 7.68 parsed_2kcw 1
14 1 . 21 . . . 6.93 1.80 7.68 parsed_2kcw 1
15 1 . 25 . . . 6.93 1.80 7.68 parsed_2kcw 1
16 1 . 27 . . . 8.80 1.80 9.55 parsed_2kcw 1
17 1 . 28 . . . 11.11 1.80 11.86 parsed_2kcw 1
18 1 . 29 . . . 5.05 1.80 5.80 parsed_2kcw 1
19 1 . 30 . . . 5.67 1.80 6.42 parsed_2kcw 1
20 1 . 32 . . . 6.93 1.80 7.68 parsed_2kcw 1
21 1 . 33 . . . 6.93 1.80 7.68 parsed_2kcw 1
22 1 . 34 . . . 6.93 1.80 7.68 parsed_2kcw 1
23 1 . 35 . . . 7.64 1.80 8.39 parsed_2kcw 1
24 1 . 36 . . . 6.93 1.80 7.68 parsed_2kcw 1
25 1 . 37 . . . 5.67 1.80 6.42 parsed_2kcw 1
26 1 . 39 . . . 4.41 1.80 5.16 parsed_2kcw 1
27 1 . 40 . . . 6.93 1.80 7.68 parsed_2kcw 1
28 1 . 41 . . . 6.93 1.80 7.68 parsed_2kcw 1
29 1 . 42 . . . 7.78 1.80 8.53 parsed_2kcw 1
30 1 . 43 . . . 6.36 1.80 7.11 parsed_2kcw 1
31 1 . 44 . . . 6.93 1.80 7.68 parsed_2kcw 1
32 1 . 45 . . . 4.50 1.80 5.25 parsed_2kcw 1
33 1 . 47 . . . 5.50 1.80 6.25 parsed_2kcw 1
34 1 . 48 . . . 8.32 1.80 9.07 parsed_2kcw 1
35 1 . 49 . . . 9.34 1.80 10.09 parsed_2kcw 1
36 1 . 51 . . . 6.93 1.80 7.68 parsed_2kcw 1
37 1 . 52 . . . 4.41 1.80 5.16 parsed_2kcw 1
38 1 . 53 . . . 11.89 1.80 12.64 parsed_2kcw 1
39 1 . 54 . . . 4.41 1.80 5.16 parsed_2kcw 1
40 1 . 55 . . . 6.93 1.80 7.68 parsed_2kcw 1
41 1 . 56 . . . 8.32 1.80 9.07 parsed_2kcw 1
42 1 . 57 . . . 8.32 1.80 9.07 parsed_2kcw 1
43 1 . 59 . . . 5.50 1.80 6.25 parsed_2kcw 1
44 1 . 61 . . . 9.34 1.80 10.09 parsed_2kcw 1
45 1 . 62 . . . 6.93 1.80 7.68 parsed_2kcw 1
46 1 . 63 . . . 8.82 1.80 9.57 parsed_2kcw 1
47 1 . 66 . . . 4.41 1.80 5.16 parsed_2kcw 1
48 1 . 67 . . . 6.93 1.80 7.68 parsed_2kcw 1
49 1 . 68 . . . 8.32 1.80 9.07 parsed_2kcw 1
50 1 . 69 . . . 6.17 1.80 6.92 parsed_2kcw 1
51 1 . 71 . . . 6.17 1.80 6.92 parsed_2kcw 1
52 1 . 76 . . . 8.82 1.80 9.57 parsed_2kcw 1
53 1 . 77 . . . 7.86 1.80 8.61 parsed_2kcw 1
54 1 . 78 . . . 11.89 1.80 12.64 parsed_2kcw 1
55 1 . 79 . . . 8.82 1.80 9.57 parsed_2kcw 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 "53 TRP HZ3 53 TRP HH2 4.50 (# 0:20 Unique 2.44, 2.44 A)" 1 1 2 96 parsed_2kcw 1
2 "53 TRP HZ2 53 TRP HH2 4.50 (# 1:20 Unique 2.46, 2.46 A)" 7 1 8 96 parsed_2kcw 1
3 "0 AMB 20-2:6 53 TRP HD1 5.50 (# 6:20 Single Ambig)" 11 1 12 81 parsed_2kcw 1
4 "53 TRP HE1 53 TRP HD1 4.50 (# 8:20 Unique 2.57, 2.57 A)" 17 1 18 96 parsed_2kcw 1
5 "122 PHE HD 122 PHE HE 4.50 (# 10:20 Unique 2.46, 3.69 A)" 21 1 22 96 parsed_2kcw 1
6 "92 VAL MGY 122 PHE HE 5.50 (# 11:20 Unique 2.51, 5.60 A)" 28 1 29 96 parsed_2kcw 1
7 "120 VAL MGX 122 PHE HE 5.50 (# 12:20 Unique 2.80, 6.06 A)" 35 1 36 96 parsed_2kcw 1
8 "0 AMB 20-2:14 116 PHE HE 5.50 (# 14:20 Single Ambig)" 42 1 43 81 parsed_2kcw 1
9 "117 TYR HA 117 TYR HD 5.50 (# 15:20 Unique 2.62, 3.40 A)" 50 1 51 96 parsed_2kcw 1
10 "0 AMB 20-2:16 117 TYR HD 5.50 (# 16:20 Single Ambig)" 56 1 57 81 parsed_2kcw 1
11 "120 VAL MGX 117 TYR HD 5.50 (# 17:20 Unique 4.56, 7.26 A)" 63 1 64 96 parsed_2kcw 1
12 "142 LEU MDY 117 TYR HD 5.50 (# 18:20 Unique 2.00, 5.33 A)" 70 1 71 96 parsed_2kcw 1
13 "116 PHE HE 116 PHE HD 5.50 (# 19:20 Unique 2.46, 3.69 A)" 77 1 78 96 parsed_2kcw 1
14 "116 PHE HB+ 116 PHE HD 5.50 (# 21:20 Unique 2.33, 3.03 A)" 84 1 85 96 parsed_2kcw 1
15 "16 LEU HB- 65 PHE HD 5.50 (# 25:20 Unique 2.56, 4.67 A)" 91 1 92 96 parsed_2kcw 1
16 "0 AMB 20-2:27 0 AMB 20-1:27 4.50 (# 27:20 Double Ambig)" 98 1 99 81 parsed_2kcw 1
17 "0 AMB 20-2:28 0 AMB 20-1:28 7.00 (# 28:20 Double Ambig)" 106 1 107 81 parsed_2kcw 1
18 "35 TYR HA 35 TYR HD 4.50 (# 29:20 Unique 2.00, 3.24 A)" 113 1 114 96 parsed_2kcw 1
19 "35 TYR HE 35 TYR HD 4.50 (# 30:20 Unique 2.46, 3.69 A)" 119 1 120 96 parsed_2kcw 1
20 "122 PHE HB- 122 PHE HD 5.50 (# 32:20 Unique 2.29, 3.04 A)" 126 1 127 96 parsed_2kcw 1
21 "122 PHE HB+ 122 PHE HD 5.50 (# 33:20 Unique 2.29, 3.04 A)" 133 1 134 96 parsed_2kcw 1
22 "0 AMB 20-2:34 122 PHE HD 5.50 (# 34:20 Single Ambig)" 140 1 141 81 parsed_2kcw 1
23 "0 AMB 20-2:35 144 TYR HD 4.50 (# 35:20 Single Ambig)" 147 1 148 81 parsed_2kcw 1
24 "144 TYR HB- 144 TYR HD 5.50 (# 36:20 Unique 2.30, 3.05 A)" 155 1 156 96 parsed_2kcw 1
25 "144 TYR HB+ 144 TYR HD 4.50 (# 37:20 Unique 2.30, 3.05 A)" 162 1 163 96 parsed_2kcw 1
26 "144 TYR HE 144 TYR HD 3.50 (# 39:20 Unique 2.46, 3.69 A)" 169 1 170 96 parsed_2kcw 1
27 "122 PHE HE 144 TYR HD 5.50 (# 40:20 Unique 3.60, 6.07 A)" 176 1 177 96 parsed_2kcw 1
28 "135 LYS HB+ 137 TYR HD 5.50 (# 41:20 Unique 3.24, 6.24 A)" 183 1 184 96 parsed_2kcw 1
29 "0 AMB 20-2:42 137 TYR HD 5.50 (# 42:20 Single Ambig)" 190 1 191 81 parsed_2kcw 1
30 "0 AMB 20-2:43 137 TYR HD 4.50 (# 43:20 Single Ambig)" 197 1 198 81 parsed_2kcw 1
31 "35 TYR HD 137 TYR HD 5.50 (# 44:20 Unique 2.72, 6.39 A)" 204 1 205 96 parsed_2kcw 1
32 "53 TRP HH2 53 TRP HZ2 4.50 (# 45:20 Unique 2.46, 2.46 A)" 211 1 212 96 parsed_2kcw 1
33 "53 TRP HE1 53 TRP HZ2 5.50 (# 47:20 Unique 2.82, 2.82 A)" 215 1 216 96 parsed_2kcw 1
34 "106 VAL MGY 117 TYR HE 5.50 (# 48:20 Unique 4.14, 5.89 A)" 219 1 220 96 parsed_2kcw 1
35 "0 AMB 20-2:49 117 TYR HE 5.50 (# 49:20 Single Ambig)" 226 1 227 81 parsed_2kcw 1
36 "116 PHE HE 117 TYR HE 5.50 (# 51:20 Unique 4.43, 7.66 A)" 234 1 235 96 parsed_2kcw 1
37 "144 TYR HD 144 TYR HE 3.50 (# 52:20 Unique 2.46, 3.69 A)" 241 1 242 96 parsed_2kcw 1
38 "0 AMB 20-2:53 144 TYR HE 7.00 (# 53:20 Single Ambig)" 248 1 249 81 parsed_2kcw 1
39 "35 TYR HD 35 TYR HE 3.50 (# 54:20 Unique 2.46, 3.69 A)" 256 1 257 96 parsed_2kcw 1
40 "135 LYS HD- 35 TYR HE 5.50 (# 55:20 Unique 2.25, 4.51 A)" 263 1 264 96 parsed_2kcw 1
41 "39 LEU MDX 35 TYR HE 5.50 (# 56:20 Unique 2.51, 5.67 A)" 270 1 271 96 parsed_2kcw 1
42 "39 LEU MDY 35 TYR HE 5.50 (# 57:20 Unique 2.51, 5.67 A)" 277 1 278 96 parsed_2kcw 1
43 "74 ASP HA 72 HIS HD2 5.50 (# 59:20 Unique 3.03, 3.40 A)" 284 1 285 96 parsed_2kcw 1
44 "0 AMB 20-2:61 144 TYR HE 5.50 (# 61:20 Single Ambig)" 288 1 289 81 parsed_2kcw 1
45 "30 PHE HB- 30 PHE HD 5.50 (# 62:20 Unique 2.29, 3.04 A)" 296 1 297 96 parsed_2kcw 1
46 "30 PHE HB+ 30 PHE HD 7.00 (# 63:20 Unique 2.29, 3.04 A)" 303 1 304 96 parsed_2kcw 1
47 "122 PHE HE 122 PHE HD 3.50 (# 66:20 Unique 2.46, 3.69 A)" 310 1 311 96 parsed_2kcw 1
48 "116 PHE HE 116 PHE HD 5.50 (# 67:20 Unique 2.46, 3.69 A)" 317 1 318 96 parsed_2kcw 1
49 "52 LEU MDX 65 PHE HD 5.50 (# 68:20 Unique 2.00, 4.69 A)" 324 1 325 96 parsed_2kcw 1
50 "4 SER HB+ 94 HIS HE1 5.50 (# 69:20 Unique 5.82, 6.35 A)" 331 1 332 96 parsed_2kcw 1
51 "133 LEU HG 35 TYR HE 5.50 (# 71:20 Unique 5.55, 7.12 A)" 337 1 338 96 parsed_2kcw 1
52 "137 TYR HD 137 TYR HE 7.00 (# 76:20 Unique 2.46, 3.69 A)" 343 1 344 96 parsed_2kcw 1
53 "32 SER HN 137 TYR HE 7.00 (# 77:20 Unique 2.96, 6.14 A)" 350 1 351 96 parsed_2kcw 1
54 "0 AMB 20-2:78 122 PHE HD 7.00 (# 78:20 Single Ambig)" 356 1 357 81 parsed_2kcw 1
55 "112 GLN HE2- 30 PHE HE 7.00 (# 79:20 Unique 2.14, 5.87 A)" 364 1 365 96 parsed_2kcw 1
stop_
save_
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