NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
33621 |
1ilp   |
cing | 2-parsed | STAR | dihedral angle | 141 |
data_1ilp_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ilp
_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_1ilp 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ilp
_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 1ilp "Master copy" parsed_1ilp
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ilp
_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 1ilp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ilp 1
1 1ilp.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1ilp 1
1 1ilp.mr . . DISCOVER 3 distance NOE simple 349 parsed_1ilp 1
1 1ilp.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 141 parsed_1ilp 1
1 1ilp.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ilp 1
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ilp
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A8 GLN C 1 A9 CYS N 1 A9 CYS CA 1 A9 CYS C parsed_1ilp 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A9 CYS C 1 A10 ILE N 1 A10 ILE CA 1 A10 ILE C parsed_1ilp 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A10 ILE C 1 A11 LYS N 1 A11 LYS CA 1 A11 LYS C parsed_1ilp 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A11 LYS C 1 A12 THR N 1 A12 THR CA 1 A12 THR C parsed_1ilp 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A12 THR C 1 A13 TYR N 1 A13 TYR CA 1 A13 TYR C parsed_1ilp 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A13 TYR C 1 A14 SER N 1 A14 SER CA 1 A14 SER C parsed_1ilp 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A14 SER C 1 A15 LYS N 1 A15 LYS CA 1 A15 LYS C parsed_1ilp 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A16 PRO C 1 A17 PHE N 1 A17 PHE CA 1 A17 PHE C parsed_1ilp 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A17 PHE C 1 A18 HIS N 1 A18 HIS CA 1 A18 HIS C parsed_1ilp 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A19 PRO C 1 A20 LYS N 1 A20 LYS CA 1 A20 LYS C parsed_1ilp 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A20 LYS C 1 A21 PHE N 1 A21 PHE CA 1 A21 PHE C parsed_1ilp 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A21 PHE C 1 A22 ILE N 1 A22 ILE CA 1 A22 ILE C parsed_1ilp 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A38 GLU C 1 A39 ILE N 1 A39 ILE CA 1 A39 ILE C parsed_1ilp 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A39 ILE C 1 A40 ILE N 1 A40 ILE CA 1 A40 ILE C parsed_1ilp 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A40 ILE C 1 A41 VAL N 1 A41 VAL CA 1 A41 VAL C parsed_1ilp 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A41 VAL C 1 A42 LYS N 1 A42 LYS CA 1 A42 LYS C parsed_1ilp 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A42 LYS C 1 A43 LEU N 1 A43 LEU CA 1 A43 LEU C parsed_1ilp 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A43 LEU C 1 A44 SER N 1 A44 SER CA 1 A44 SER C parsed_1ilp 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A44 SER C 1 A45 ASP N 1 A45 ASP CA 1 A45 ASP C parsed_1ilp 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A46 GLY C 1 A47 ARG N 1 A47 ARG CA 1 A47 ARG C parsed_1ilp 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A47 ARG C 1 A48 GLU N 1 A48 GLU CA 1 A48 GLU C parsed_1ilp 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A48 GLU C 1 A49 LEU N 1 A49 LEU CA 1 A49 LEU C parsed_1ilp 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A49 LEU C 1 A50 CYS N 1 A50 CYS CA 1 A50 CYS C parsed_1ilp 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 A50 CYS C 1 A51 LEU N 1 A51 LEU CA 1 A51 LEU C parsed_1ilp 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A8 GLN CA 1 A8 GLN C 1 A9 CYS N 1 A9 CYS CA parsed_1ilp 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A8 GLN O 1 A8 GLN C 1 A9 CYS N 1 A9 CYS HN parsed_1ilp 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A9 CYS CA 1 A9 CYS C 1 A10 ILE N 1 A10 ILE CA parsed_1ilp 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A9 CYS O 1 A9 CYS C 1 A10 ILE N 1 A10 ILE HN parsed_1ilp 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A10 ILE CA 1 A10 ILE C 1 A11 LYS N 1 A11 LYS CA parsed_1ilp 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A10 ILE O 1 A10 ILE C 1 A11 LYS N 1 A11 LYS HN parsed_1ilp 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A11 LYS CA 1 A11 LYS C 1 A12 THR N 1 A12 THR CA parsed_1ilp 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A11 LYS O 1 A11 LYS C 1 A12 THR N 1 A12 THR HN parsed_1ilp 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A12 THR CA 1 A12 THR C 1 A13 TYR N 1 A13 TYR CA parsed_1ilp 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A12 THR O 1 A12 THR C 1 A13 TYR N 1 A13 TYR HN parsed_1ilp 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A13 TYR CA 1 A13 TYR C 1 A14 SER N 1 A14 SER CA parsed_1ilp 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A13 TYR O 1 A13 TYR C 1 A14 SER N 1 A14 SER HN parsed_1ilp 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A14 SER CA 1 A14 SER C 1 A15 LYS N 1 A15 LYS CA parsed_1ilp 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A14 SER O 1 A14 SER C 1 A15 LYS N 1 A15 LYS HN parsed_1ilp 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A15 LYS CA 1 A15 LYS C 1 A16 PRO N 1 A16 PRO CA parsed_1ilp 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A16 PRO CA 1 A16 PRO C 1 A17 PHE N 1 A17 PHE CA parsed_1ilp 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A16 PRO O 1 A16 PRO C 1 A17 PHE N 1 A17 PHE HN parsed_1ilp 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A17 PHE CA 1 A17 PHE C 1 A18 HIS N 1 A18 HIS CA parsed_1ilp 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A17 PHE O 1 A17 PHE C 1 A18 HIS N 1 A18 HIS HN parsed_1ilp 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A18 HIS CA 1 A18 HIS C 1 A19 PRO N 1 A19 PRO CA parsed_1ilp 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A19 PRO CA 1 A19 PRO C 1 A20 LYS N 1 A20 LYS CA parsed_1ilp 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A19 PRO O 1 A19 PRO C 1 A20 LYS N 1 A20 LYS HN parsed_1ilp 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A20 LYS CA 1 A20 LYS C 1 A21 PHE N 1 A21 PHE CA parsed_1ilp 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A20 LYS O 1 A20 LYS C 1 A21 PHE N 1 A21 PHE HN parsed_1ilp 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A21 PHE CA 1 A21 PHE C 1 A22 ILE N 1 A22 ILE CA parsed_1ilp 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A21 PHE O 1 A21 PHE C 1 A22 ILE N 1 A22 ILE HN parsed_1ilp 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A38 GLU CA 1 A38 GLU C 1 A39 ILE N 1 A39 ILE CA parsed_1ilp 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A38 GLU O 1 A38 GLU C 1 A39 ILE N 1 A39 ILE HN parsed_1ilp 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A39 ILE CA 1 A39 ILE C 1 A40 ILE N 1 A40 ILE CA parsed_1ilp 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A39 ILE O 1 A39 ILE C 1 A40 ILE N 1 A40 ILE HN parsed_1ilp 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A40 ILE CA 1 A40 ILE C 1 A41 VAL N 1 A41 VAL CA parsed_1ilp 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A40 ILE O 1 A40 ILE C 1 A41 VAL N 1 A41 VAL HN parsed_1ilp 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A41 VAL CA 1 A41 VAL C 1 A42 LYS N 1 A42 LYS CA parsed_1ilp 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A41 VAL O 1 A41 VAL C 1 A42 LYS N 1 A42 LYS HN parsed_1ilp 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A42 LYS CA 1 A42 LYS C 1 A43 LEU N 1 A43 LEU CA parsed_1ilp 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A42 LYS O 1 A42 LYS C 1 A43 LEU N 1 A43 LEU HN parsed_1ilp 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A43 LEU CA 1 A43 LEU C 1 A44 SER N 1 A44 SER CA parsed_1ilp 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A43 LEU O 1 A43 LEU C 1 A44 SER N 1 A44 SER HN parsed_1ilp 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A44 SER CA 1 A44 SER C 1 A45 ASP N 1 A45 ASP CA parsed_1ilp 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A44 SER O 1 A44 SER C 1 A45 ASP N 1 A45 ASP HN parsed_1ilp 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A45 ASP CA 1 A45 ASP C 1 A46 GLY N 1 A46 GLY CA parsed_1ilp 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A45 ASP O 1 A45 ASP C 1 A46 GLY N 1 A46 GLY HN parsed_1ilp 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A46 GLY CA 1 A46 GLY C 1 A47 ARG N 1 A47 ARG CA parsed_1ilp 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A46 GLY O 1 A46 GLY C 1 A47 ARG N 1 A47 ARG HN parsed_1ilp 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A47 ARG CA 1 A47 ARG C 1 A48 GLU N 1 A48 GLU CA parsed_1ilp 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A47 ARG O 1 A47 ARG C 1 A48 GLU N 1 A48 GLU HN parsed_1ilp 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A48 GLU CA 1 A48 GLU C 1 A49 LEU N 1 A49 LEU CA parsed_1ilp 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A48 GLU O 1 A48 GLU C 1 A49 LEU N 1 A49 LEU HN parsed_1ilp 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A49 LEU CA 1 A49 LEU C 1 A50 CYS N 1 A50 CYS CA parsed_1ilp 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A49 LEU O 1 A49 LEU C 1 A50 CYS N 1 A50 CYS HN parsed_1ilp 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A50 CYS CA 1 A50 CYS C 1 A51 LEU N 1 A51 LEU CA parsed_1ilp 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 A50 CYS O 1 A50 CYS C 1 A51 LEU N 1 A51 LEU HN parsed_1ilp 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 C1 MET C 1 C2 TRP N 1 C2 TRP CA 1 C2 TRP C parsed_1ilp 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 C2 TRP C 1 C3 ASP N 1 C3 ASP CA 1 C3 ASP C parsed_1ilp 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 C3 ASP C 1 C4 PHE N 1 C4 PHE CA 1 C4 PHE C parsed_1ilp 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 C4 PHE C 1 C5 ASP N 1 C5 ASP CA 1 C5 ASP C parsed_1ilp 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 C5 ASP C 1 C6 ASP N 1 C6 ASP CA 1 C6 ASP C parsed_1ilp 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 C7 HEX C 1 C8 MET N 1 C8 MET CA 1 C8 MET C parsed_1ilp 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 C10 PRO C 1 C11 ALA N 1 C11 ALA CA 1 C11 ALA C parsed_1ilp 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 C11 ALA C 1 C12 ASP N 1 C12 ASP CA 1 C12 ASP C parsed_1ilp 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 C12 ASP C 1 C13 GLU N 1 C13 GLU CA 1 C13 GLU C parsed_1ilp 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 C13 GLU C 1 C14 ASP N 1 C14 ASP CA 1 C14 ASP C parsed_1ilp 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 C14 ASP C 1 C15 TYR N 1 C15 TYR CA 1 C15 TYR C parsed_1ilp 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 C15 TYR C 1 C16 SER N 1 C16 SER CA 1 C16 SER C parsed_1ilp 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C1 MET CA 1 C1 MET C 1 C2 TRP N 1 C2 TRP CA parsed_1ilp 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C1 MET O 1 C1 MET C 1 C2 TRP N 1 C2 TRP HN parsed_1ilp 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C2 TRP CA 1 C2 TRP C 1 C3 ASP N 1 C3 ASP CA parsed_1ilp 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C2 TRP O 1 C2 TRP C 1 C3 ASP N 1 C3 ASP HN parsed_1ilp 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C3 ASP CA 1 C3 ASP C 1 C4 PHE N 1 C4 PHE CA parsed_1ilp 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C3 ASP O 1 C3 ASP C 1 C4 PHE N 1 C4 PHE HN parsed_1ilp 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C4 PHE CA 1 C4 PHE C 1 C5 ASP N 1 C5 ASP CA parsed_1ilp 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C4 PHE O 1 C4 PHE C 1 C5 ASP N 1 C5 ASP HN parsed_1ilp 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C5 ASP CA 1 C5 ASP C 1 C6 ASP N 1 C6 ASP CA parsed_1ilp 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C5 ASP O 1 C5 ASP C 1 C6 ASP N 1 C6 ASP HN parsed_1ilp 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C6 ASP CA 1 C6 ASP C 1 C7 HEX N 1 C7 HEX CA parsed_1ilp 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C6 ASP O 1 C6 ASP C 1 C7 HEX N 1 C7 HEX HN parsed_1ilp 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C7 HEX CE 1 C7 HEX C 1 C8 MET N 1 C8 MET CA parsed_1ilp 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C7 HEX O 1 C7 HEX C 1 C8 MET N 1 C8 MET HN parsed_1ilp 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C8 MET CA 1 C8 MET C 1 C9 PRO N 1 C9 PRO CA parsed_1ilp 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C9 PRO CA 1 C9 PRO C 1 C10 PRO N 1 C10 PRO CA parsed_1ilp 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C10 PRO CA 1 C10 PRO C 1 C11 ALA N 1 C11 ALA CA parsed_1ilp 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C10 PRO O 1 C10 PRO C 1 C11 ALA N 1 C11 ALA HN parsed_1ilp 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C11 ALA CA 1 C11 ALA C 1 C12 ASP N 1 C12 ASP CA parsed_1ilp 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C11 ALA O 1 C11 ALA C 1 C12 ASP N 1 C12 ASP HN parsed_1ilp 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C12 ASP CA 1 C12 ASP C 1 C13 GLU N 1 C13 GLU CA parsed_1ilp 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C12 ASP O 1 C12 ASP C 1 C13 GLU N 1 C13 GLU HN parsed_1ilp 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C13 GLU CA 1 C13 GLU C 1 C14 ASP N 1 C14 ASP CA parsed_1ilp 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C13 GLU O 1 C13 GLU C 1 C14 ASP N 1 C14 ASP HN parsed_1ilp 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C14 ASP CA 1 C14 ASP C 1 C15 TYR N 1 C15 TYR CA parsed_1ilp 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C14 ASP O 1 C14 ASP C 1 C15 TYR N 1 C15 TYR HN parsed_1ilp 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C15 TYR CA 1 C15 TYR C 1 C16 SER N 1 C16 SER CA parsed_1ilp 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C15 TYR O 1 C15 TYR C 1 C16 SER N 1 C16 SER HN parsed_1ilp 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 172.0 -172.0 . 1 C16 SER CA 1 C16 SER C 1 C17 PRO N 1 C17 PRO CA parsed_1ilp 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 -178.0 . 1 C15 TYR CB 1 C15 TYR CG 1 C15 TYR CD1 1 C15 TYR CE1 parsed_1ilp 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 -178.0 . 1 C15 TYR CB 1 C15 TYR CG 1 C15 TYR CD2 1 C15 TYR CE2 parsed_1ilp 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 -178.0 . 1 C15 TYR OH 1 C15 TYR CZ 1 C15 TYR CE1 1 C15 TYR CD1 parsed_1ilp 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 -178.0 . 1 C15 TYR OH 1 C15 TYR CZ 1 C15 TYR CE2 1 C15 TYR CD2 parsed_1ilp 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . 1 C15 TYR CG 1 C15 TYR CD1 1 C15 TYR CE1 1 C15 TYR CZ parsed_1ilp 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . 1 C15 TYR CG 1 C15 TYR CD2 1 C15 TYR CE2 1 C15 TYR CZ parsed_1ilp 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 -178.0 . 1 A13 TYR CB 1 A13 TYR CG 1 A13 TYR CD1 1 A13 TYR CE1 parsed_1ilp 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 -178.0 . 1 A13 TYR CB 1 A13 TYR CG 1 A13 TYR CD2 1 A13 TYR CE2 parsed_1ilp 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 -178.0 . 1 A13 TYR OH 1 A13 TYR CZ 1 A13 TYR CE1 1 A13 TYR CD1 parsed_1ilp 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 -178.0 . 1 A13 TYR OH 1 A13 TYR CZ 1 A13 TYR CE2 1 A13 TYR CD2 parsed_1ilp 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . 1 A13 TYR CG 1 A13 TYR CD1 1 A13 TYR CE1 1 A13 TYR CZ parsed_1ilp 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . 1 A13 TYR CG 1 A13 TYR CD2 1 A13 TYR CE2 1 A13 TYR CZ parsed_1ilp 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 -178.0 . 1 A17 PHE CB 1 A17 PHE CG 1 A17 PHE CD1 1 A17 PHE CE1 parsed_1ilp 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 -178.0 . 1 A17 PHE CB 1 A17 PHE CG 1 A17 PHE CD2 1 A17 PHE CE2 parsed_1ilp 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . 1 A17 PHE CG 1 A17 PHE CD1 1 A17 PHE CE1 1 A17 PHE CZ parsed_1ilp 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . 1 A17 PHE CG 1 A17 PHE CD2 1 A17 PHE CE2 1 A17 PHE CZ parsed_1ilp 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . 1 A17 PHE CD1 1 A17 PHE CE1 1 A17 PHE CZ 1 A17 PHE CE2 parsed_1ilp 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . 1 A17 PHE CD2 1 A17 PHE CE2 1 A17 PHE CZ 1 A17 PHE CE1 parsed_1ilp 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 -178.0 . 1 A21 PHE CB 1 A21 PHE CG 1 A21 PHE CD1 1 A21 PHE CE1 parsed_1ilp 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.0 -178.0 . 1 A21 PHE CB 1 A21 PHE CG 1 A21 PHE CD2 1 A21 PHE CE2 parsed_1ilp 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . 1 A21 PHE CG 1 A21 PHE CD1 1 A21 PHE CE1 1 A21 PHE CZ parsed_1ilp 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . 1 A21 PHE CG 1 A21 PHE CD2 1 A21 PHE CE2 1 A21 PHE CZ parsed_1ilp 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . 1 A21 PHE CD1 1 A21 PHE CE1 1 A21 PHE CZ 1 A21 PHE CE2 parsed_1ilp 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.0 2.0 . 1 A21 PHE CD2 1 A21 PHE CE2 1 A21 PHE CZ 1 A21 PHE CE1 parsed_1ilp 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
NMR_dihedral
negative phi for il8
;
1 1 2 22 parsed_1ilp 1
2 "trans peptides for il8" 27 1 28 23 parsed_1ilp 1
3
;
NMR_dihedral
peptide negative phi
;
81 1 82 22 parsed_1ilp 1
4 "peptide trans peptide" 95 1 96 23 parsed_1ilp 1
5 "NB CE not CA for hex" 109 1 109 22 parsed_1ilp 1
6 "flat aromatics" 127 1 129 1 parsed_1ilp 1
stop_
save_
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