NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
492602 |
2kng   |
16831 | cing | 2-parsed | STAR | dihedral angle | 66 |
data_2kng_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kng
_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_2kng 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kng
_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 2kng "Master copy" parsed_2kng
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kng
_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 2kng.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kng 1
1 2kng.mr . . AMBER 2 "dihedral angle" "Not applicable" "Not applicable" 66 parsed_2kng 1
1 2kng.mr . . AMBER 3 stereochemistry chirality "Not applicable" 0 parsed_2kng 1
1 2kng.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kng 1
1 2kng.mr . . AMBER 5 distance NOE ambi 0 parsed_2kng 1
1 2kng.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kng 1
stop_
save_
save_AMBER_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kng
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . 2kng_ambr001 8 GLY C 2kng_ambr001 9 ALA N 2kng_ambr001 9 ALA CA 2kng_ambr001 9 ALA C parsed_2kng 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . 2kng_ambr001 10 ILE C 2kng_ambr001 11 ASP N 2kng_ambr001 11 ASP CA 2kng_ambr001 11 ASP C parsed_2kng 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . 2kng_ambr001 11 ASP C 2kng_ambr001 12 ARG N 2kng_ambr001 12 ARG CA 2kng_ambr001 12 ARG C parsed_2kng 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -33.0 . 2kng_ambr001 12 ARG C 2kng_ambr001 13 GLU N 2kng_ambr001 13 GLU CA 2kng_ambr001 13 GLU C parsed_2kng 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -14.0 . 2kng_ambr001 13 GLU N 2kng_ambr001 13 GLU CA 2kng_ambr001 13 GLU C 2kng_ambr001 14 GLN N parsed_2kng 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -32.0 . 2kng_ambr001 13 GLU C 2kng_ambr001 14 GLN N 2kng_ambr001 14 GLN CA 2kng_ambr001 14 GLN C parsed_2kng 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -12.0 . 2kng_ambr001 14 GLN N 2kng_ambr001 14 GLN CA 2kng_ambr001 14 GLN C 2kng_ambr001 15 SER N parsed_2kng 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . 2kng_ambr001 14 GLN C 2kng_ambr001 15 SER N 2kng_ambr001 15 SER CA 2kng_ambr001 15 SER C parsed_2kng 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -5.0 . 2kng_ambr001 15 SER N 2kng_ambr001 15 SER CA 2kng_ambr001 15 SER C 2kng_ambr001 16 ALA N parsed_2kng 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -34.0 . 2kng_ambr001 15 SER C 2kng_ambr001 16 ALA N 2kng_ambr001 16 ALA CA 2kng_ambr001 16 ALA C parsed_2kng 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -12.0 . 2kng_ambr001 16 ALA N 2kng_ambr001 16 ALA CA 2kng_ambr001 16 ALA C 2kng_ambr001 17 ALA N parsed_2kng 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -36.0 . 2kng_ambr001 16 ALA C 2kng_ambr001 17 ALA N 2kng_ambr001 17 ALA CA 2kng_ambr001 17 ALA C parsed_2kng 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -11.0 . 2kng_ambr001 17 ALA N 2kng_ambr001 17 ALA CA 2kng_ambr001 17 ALA C 2kng_ambr001 18 ILE N parsed_2kng 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -32.0 . 2kng_ambr001 17 ALA C 2kng_ambr001 18 ILE N 2kng_ambr001 18 ILE CA 2kng_ambr001 18 ILE C parsed_2kng 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -14.0 . 2kng_ambr001 18 ILE N 2kng_ambr001 18 ILE CA 2kng_ambr001 18 ILE C 2kng_ambr001 19 ARG N parsed_2kng 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -34.0 . 2kng_ambr001 18 ILE C 2kng_ambr001 19 ARG N 2kng_ambr001 19 ARG CA 2kng_ambr001 19 ARG C parsed_2kng 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -7.0 . 2kng_ambr001 19 ARG N 2kng_ambr001 19 ARG CA 2kng_ambr001 19 ARG C 2kng_ambr001 20 GLU N parsed_2kng 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -36.0 . 2kng_ambr001 19 ARG C 2kng_ambr001 20 GLU N 2kng_ambr001 20 GLU CA 2kng_ambr001 20 GLU C parsed_2kng 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 -13.0 . 2kng_ambr001 20 GLU N 2kng_ambr001 20 GLU CA 2kng_ambr001 20 GLU C 2kng_ambr001 21 TRP N parsed_2kng 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.7 -33.7 . 2kng_ambr001 20 GLU C 2kng_ambr001 21 TRP N 2kng_ambr001 21 TRP CA 2kng_ambr001 21 TRP C parsed_2kng 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.4 -10.4 . 2kng_ambr001 21 TRP N 2kng_ambr001 21 TRP CA 2kng_ambr001 21 TRP C 2kng_ambr001 22 ALA N parsed_2kng 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.3 -35.3 . 2kng_ambr001 21 TRP C 2kng_ambr001 22 ALA N 2kng_ambr001 22 ALA CA 2kng_ambr001 22 ALA C parsed_2kng 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -9.0 . 2kng_ambr001 22 ALA N 2kng_ambr001 22 ALA CA 2kng_ambr001 22 ALA C 2kng_ambr001 23 ARG N parsed_2kng 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . 2kng_ambr001 22 ALA C 2kng_ambr001 23 ARG N 2kng_ambr001 23 ARG CA 2kng_ambr001 23 ARG C parsed_2kng 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.4 -14.4 . 2kng_ambr001 23 ARG N 2kng_ambr001 23 ARG CA 2kng_ambr001 23 ARG C 2kng_ambr001 24 ARG N parsed_2kng 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.9 -34.9 . 2kng_ambr001 23 ARG C 2kng_ambr001 24 ARG N 2kng_ambr001 24 ARG CA 2kng_ambr001 24 ARG C parsed_2kng 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.5 -5.5 . 2kng_ambr001 24 ARG N 2kng_ambr001 24 ARG CA 2kng_ambr001 24 ARG C 2kng_ambr001 25 ASN N parsed_2kng 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.7 -63.7 . 2kng_ambr001 26 GLY C 2kng_ambr001 27 HIS N 2kng_ambr001 27 HIS CA 2kng_ambr001 27 HIS C parsed_2kng 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.7 166.7 . 2kng_ambr001 27 HIS N 2kng_ambr001 27 HIS CA 2kng_ambr001 27 HIS C 2kng_ambr001 28 ASN N parsed_2kng 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.4 -57.4 . 2kng_ambr001 27 HIS C 2kng_ambr001 28 ASN N 2kng_ambr001 28 ASN CA 2kng_ambr001 28 ASN C parsed_2kng 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.2 163.2 . 2kng_ambr001 28 ASN N 2kng_ambr001 28 ASN CA 2kng_ambr001 28 ASN C 2kng_ambr001 29 VAL N parsed_2kng 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.1 -80.1 . 2kng_ambr001 28 ASN C 2kng_ambr001 29 VAL N 2kng_ambr001 29 VAL CA 2kng_ambr001 29 VAL C parsed_2kng 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.9 157.9 . 2kng_ambr001 29 VAL N 2kng_ambr001 29 VAL CA 2kng_ambr001 29 VAL C 2kng_ambr001 30 SER N parsed_2kng 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . 2kng_ambr001 31 THR C 2kng_ambr001 32 ARG N 2kng_ambr001 32 ARG CA 2kng_ambr001 32 ARG C parsed_2kng 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.9 -62.9 . 2kng_ambr001 33 GLY C 2kng_ambr001 34 ARG N 2kng_ambr001 34 ARG CA 2kng_ambr001 34 ARG C parsed_2kng 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.7 152.7 . 2kng_ambr001 34 ARG N 2kng_ambr001 34 ARG CA 2kng_ambr001 34 ARG C 2kng_ambr001 35 ILE N parsed_2kng 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.5 -75.5 . 2kng_ambr001 34 ARG C 2kng_ambr001 35 ILE N 2kng_ambr001 35 ILE CA 2kng_ambr001 35 ILE C parsed_2kng 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.2 163.2 . 2kng_ambr001 35 ILE N 2kng_ambr001 35 ILE CA 2kng_ambr001 35 ILE C 2kng_ambr001 36 PRO N parsed_2kng 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.5 -20.5 . 2kng_ambr001 36 PRO C 2kng_ambr001 37 ALA N 2kng_ambr001 37 ALA CA 2kng_ambr001 37 ALA C parsed_2kng 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.2 -15.2 . 2kng_ambr001 37 ALA N 2kng_ambr001 37 ALA CA 2kng_ambr001 37 ALA C 2kng_ambr001 38 ASP N parsed_2kng 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.5 -33.5 . 2kng_ambr001 37 ALA C 2kng_ambr001 38 ASP N 2kng_ambr001 38 ASP CA 2kng_ambr001 38 ASP C parsed_2kng 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -6.0 . 2kng_ambr001 38 ASP N 2kng_ambr001 38 ASP CA 2kng_ambr001 38 ASP C 2kng_ambr001 39 VAL N parsed_2kng 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.5 -35.5 . 2kng_ambr001 38 ASP C 2kng_ambr001 39 VAL N 2kng_ambr001 39 VAL CA 2kng_ambr001 39 VAL C parsed_2kng 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.8 -11.8 . 2kng_ambr001 39 VAL N 2kng_ambr001 39 VAL CA 2kng_ambr001 39 VAL C 2kng_ambr001 40 ILE N parsed_2kng 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.8 -34.8 . 2kng_ambr001 39 VAL C 2kng_ambr001 40 ILE N 2kng_ambr001 40 ILE CA 2kng_ambr001 40 ILE C parsed_2kng 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.2 -13.2 . 2kng_ambr001 40 ILE N 2kng_ambr001 40 ILE CA 2kng_ambr001 40 ILE C 2kng_ambr001 41 ASP N parsed_2kng 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.8 -33.8 . 2kng_ambr001 40 ILE C 2kng_ambr001 41 ASP N 2kng_ambr001 41 ASP CA 2kng_ambr001 41 ASP C parsed_2kng 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.5 -10.5 . 2kng_ambr001 41 ASP N 2kng_ambr001 41 ASP CA 2kng_ambr001 41 ASP C 2kng_ambr001 42 ALA N parsed_2kng 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.3 -37.3 . 2kng_ambr001 41 ASP C 2kng_ambr001 42 ALA N 2kng_ambr001 42 ALA CA 2kng_ambr001 42 ALA C parsed_2kng 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.3 -9.3 . 2kng_ambr001 42 ALA N 2kng_ambr001 42 ALA CA 2kng_ambr001 42 ALA C 2kng_ambr001 43 TYR N parsed_2kng 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.5 -35.5 . 2kng_ambr001 42 ALA C 2kng_ambr001 43 TYR N 2kng_ambr001 43 TYR CA 2kng_ambr001 43 TYR C parsed_2kng 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.7 -12.7 . 2kng_ambr001 43 TYR N 2kng_ambr001 43 TYR CA 2kng_ambr001 43 TYR C 2kng_ambr001 44 HIS N parsed_2kng 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.5 -38.5 . 2kng_ambr001 43 TYR C 2kng_ambr001 44 HIS N 2kng_ambr001 44 HIS CA 2kng_ambr001 44 HIS C parsed_2kng 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.2 -1.2 . 2kng_ambr001 44 HIS N 2kng_ambr001 44 HIS CA 2kng_ambr001 44 HIS C 2kng_ambr001 45 ALA N parsed_2kng 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.6 -34.6 . 2kng_ambr001 44 HIS C 2kng_ambr001 45 ALA N 2kng_ambr001 45 ALA CA 2kng_ambr001 45 ALA C parsed_2kng 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.5 -2.5 . 2kng_ambr001 45 ALA N 2kng_ambr001 45 ALA CA 2kng_ambr001 45 ALA C 2kng_ambr001 46 ALA N parsed_2kng 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . 2kng_ambr001 45 ALA C 2kng_ambr001 46 ALA N 2kng_ambr001 46 ALA CA 2kng_ambr001 46 ALA C parsed_2kng 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.9 -8.9 . 2kng_ambr001 46 ALA N 2kng_ambr001 46 ALA CA 2kng_ambr001 46 ALA C 2kng_ambr001 47 THR N parsed_2kng 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.5 -54.5 . 2kng_ambr001 47 THR C 2kng_ambr001 48 LEU N 2kng_ambr001 48 LEU CA 2kng_ambr001 48 LEU C parsed_2kng 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.8 11.2 . 2kng_ambr001 48 LEU N 2kng_ambr001 48 LEU CA 2kng_ambr001 48 LEU C 2kng_ambr001 49 GLU N parsed_2kng 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . 2kng_ambr001 48 LEU C 2kng_ambr001 49 GLU N 2kng_ambr001 49 GLU CA 2kng_ambr001 49 GLU C parsed_2kng 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . 2kng_ambr001 49 GLU C 2kng_ambr001 50 HIS N 2kng_ambr001 50 HIS CA 2kng_ambr001 50 HIS C parsed_2kng 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . 2kng_ambr001 50 HIS C 2kng_ambr001 51 HIS N 2kng_ambr001 51 HIS CA 2kng_ambr001 51 HIS C parsed_2kng 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . 2kng_ambr001 51 HIS C 2kng_ambr001 52 HIS N 2kng_ambr001 52 HIS CA 2kng_ambr001 52 HIS C parsed_2kng 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . 2kng_ambr001 52 HIS C 2kng_ambr001 53 HIS N 2kng_ambr001 53 HIS CA 2kng_ambr001 53 HIS C parsed_2kng 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . 2kng_ambr001 53 HIS C 2kng_ambr001 54 HIS N 2kng_ambr001 54 HIS CA 2kng_ambr001 54 HIS C parsed_2kng 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
;
845 atoms read from pdb file prm1_new.pdb.
74 ALA PHI: (73 GLY C)-(74 ALA N)-(74 ALA CA)-(74 ALA C) -180.0 0.0
;
1 1 2 73 parsed_2kng 1
2 "76 ASP PHI: (75 ILE C)-(76 ASP N)-(76 ASP CA)-(76 ASP C) -180.0 0.0" 7 1 7 73 parsed_2kng 1
3 "77 ARG PHI: (76 ASP C)-(77 ARG N)-(77 ARG CA)-(77 ARG C) -180.0 0.0" 12 1 12 73 parsed_2kng 1
4 "78 GLU PHI: (77 ARG C)-(78 GLU N)-(78 GLU CA)-(78 GLU C) -93.0 -33.0" 17 1 17 72 parsed_2kng 1
5 "78 GLU PSI: (78 GLU N)-(78 GLU CA)-(78 GLU C)-(79 GLN N) -74.0 -14.0" 22 1 22 72 parsed_2kng 1
6 "79 GLN PHI: (78 GLU C)-(79 GLN N)-(79 GLN CA)-(79 GLN C) -92.0 -32.0" 27 1 27 72 parsed_2kng 1
7 "79 GLN PSI: (79 GLN N)-(79 GLN CA)-(79 GLN C)-(80 SER N) -72.0 -12.0" 32 1 32 72 parsed_2kng 1
8 "80 SER PHI: (79 GLN C)-(80 SER N)-(80 SER CA)-(80 SER C) -95.0 -35.0" 37 1 37 72 parsed_2kng 1
9 "80 SER PSI: (80 SER N)-(80 SER CA)-(80 SER C)-(81 ALA N) -65.0 -5.0" 42 1 42 72 parsed_2kng 1
10 "81 ALA PHI: (80 SER C)-(81 ALA N)-(81 ALA CA)-(81 ALA C) -94.0 -34.0" 47 1 47 72 parsed_2kng 1
11 "81 ALA PSI: (81 ALA N)-(81 ALA CA)-(81 ALA C)-(82 ALA N) -72.0 -12.0" 52 1 52 72 parsed_2kng 1
12 "82 ALA PHI: (81 ALA C)-(82 ALA N)-(82 ALA CA)-(82 ALA C) -96.0 -36.0" 57 1 57 72 parsed_2kng 1
13 "82 ALA PSI: (82 ALA N)-(82 ALA CA)-(82 ALA C)-(83 ILE N) -71.0 -11.0" 62 1 62 72 parsed_2kng 1
14 "83 ILE PHI: (82 ALA C)-(83 ILE N)-(83 ILE CA)-(83 ILE C) -92.0 -32.0" 67 1 67 72 parsed_2kng 1
15 "83 ILE PSI: (83 ILE N)-(83 ILE CA)-(83 ILE C)-(84 ARG N) -74.0 -14.0" 72 1 72 72 parsed_2kng 1
16 "84 ARG PHI: (83 ILE C)-(84 ARG N)-(84 ARG CA)-(84 ARG C) -94.0 -34.0" 77 1 77 72 parsed_2kng 1
17 "84 ARG PSI: (84 ARG N)-(84 ARG CA)-(84 ARG C)-(85 GLU N) -67.0 -7.0" 82 1 82 72 parsed_2kng 1
18 "85 GLU PHI: (84 ARG C)-(85 GLU N)-(85 GLU CA)-(85 GLU C) -96.0 -36.0" 87 1 87 72 parsed_2kng 1
19 "85 GLU PSI: (85 GLU N)-(85 GLU CA)-(85 GLU C)-(86 TRP N) -73.0 -13.0" 92 1 92 72 parsed_2kng 1
20 "86 TRP PHI: (85 GLU C)-(86 TRP N)-(86 TRP CA)-(86 TRP C) -93.7 -33.7" 97 1 97 72 parsed_2kng 1
21 "86 TRP PSI: (86 TRP N)-(86 TRP CA)-(86 TRP C)-(87 ALA N) -70.4 -10.4" 102 1 102 72 parsed_2kng 1
22 "87 ALA PHI: (86 TRP C)-(87 ALA N)-(87 ALA CA)-(87 ALA C) -95.3 -35.3" 107 1 107 72 parsed_2kng 1
23 "87 ALA PSI: (87 ALA N)-(87 ALA CA)-(87 ALA C)-(88 ARG N) -69.0 -9.0" 112 1 112 72 parsed_2kng 1
24 "88 ARG PHI: (87 ALA C)-(88 ARG N)-(88 ARG CA)-(88 ARG C) -95.0 -35.0" 117 1 117 72 parsed_2kng 1
25 "88 ARG PSI: (88 ARG N)-(88 ARG CA)-(88 ARG C)-(89 ARG N) -74.4 -14.4" 122 1 122 72 parsed_2kng 1
26 "89 ARG PHI: (88 ARG C)-(89 ARG N)-(89 ARG CA)-(89 ARG C) -94.9 -34.9" 127 1 127 72 parsed_2kng 1
27 "89 ARG PSI: (89 ARG N)-(89 ARG CA)-(89 ARG C)-(90 ASN N) -65.5 -5.5" 132 1 132 72 parsed_2kng 1
28 "92 HIS PHI: (91 GLY C)-(92 HIS N)-(92 HIS CA)-(92 HIS C) -123.7 -63.7" 137 1 137 73 parsed_2kng 1
29 "92 HIS PSI: (92 HIS N)-(92 HIS CA)-(92 HIS C)-(93 ASN N) 106.7 166.7" 142 1 142 72 parsed_2kng 1
30 "93 ASN PHI: (92 HIS C)-(93 ASN N)-(93 ASN CA)-(93 ASN C) -117.4 -57.4" 147 1 147 73 parsed_2kng 1
31 "93 ASN PSI: (93 ASN N)-(93 ASN CA)-(93 ASN C)-(94 VAL N) 103.2 163.2" 152 1 152 72 parsed_2kng 1
32 "94 VAL PHI: (93 ASN C)-(94 VAL N)-(94 VAL CA)-(94 VAL C) -150.1 -80.1" 157 1 157 73 parsed_2kng 1
33 "94 VAL PSI: (94 VAL N)-(94 VAL CA)-(94 VAL C)-(95 SER N) 97.9 157.9" 162 1 162 72 parsed_2kng 1
34 "97 ARG PHI: (96 THR C)-(97 ARG N)-(97 ARG CA)-(97 ARG C) -180.0 0.0" 167 1 167 73 parsed_2kng 1
35 "99 ARG PHI: (98 GLY C)-(99 ARG N)-(99 ARG CA)-(99 ARG C) -122.9 -62.9" 172 1 172 73 parsed_2kng 1
36 "99 ARG PSI: (99 ARG N)-(99 ARG CA)-(99 ARG C)-(100 ILE N) 92.7 152.7" 177 1 177 73 parsed_2kng 1
37 "100 ILE PHI: (99 ARG C)-(100 ILE N)-(100 ILE CA)-(100 ILE C) -135.5 -75.5" 182 1 182 77 parsed_2kng 1
38 "100 ILE PSI: (100 ILE N)-(100 ILE CA)-(100 ILE C)-(101 PRO N) 103.2 163.2" 187 1 187 77 parsed_2kng 1
39 "102 ALA PHI: (101 PRO C)-(102 ALA N)-(102 ALA CA)-(102 ALA C) -80.5 -20.5" 192 1 192 77 parsed_2kng 1
40 "102 ALA PSI: (102 ALA N)-(102 ALA CA)-(102 ALA C)-(103 ASP N) -75.2 -15.2" 197 1 197 77 parsed_2kng 1
41 "103 ASP PHI: (102 ALA C)-(103 ASP N)-(103 ASP CA)-(103 ASP C) -93.5 -33.5" 202 1 202 77 parsed_2kng 1
42 "103 ASP PSI: (103 ASP N)-(103 ASP CA)-(103 ASP C)-(104 VAL N) -66.0 -6.0" 207 1 207 77 parsed_2kng 1
43 "104 VAL PHI: (103 ASP C)-(104 VAL N)-(104 VAL CA)-(104 VAL C) -95.5 -35.5" 212 1 212 77 parsed_2kng 1
44 "104 VAL PSI: (104 VAL N)-(104 VAL CA)-(104 VAL C)-(105 ILE N) -71.8 -11.8" 217 1 217 77 parsed_2kng 1
45 "105 ILE PHI: (104 VAL C)-(105 ILE N)-(105 ILE CA)-(105 ILE C) -94.8 -34.8" 222 1 222 77 parsed_2kng 1
46 "105 ILE PSI: (105 ILE N)-(105 ILE CA)-(105 ILE C)-(106 ASP N) -73.2 -13.2" 227 1 227 77 parsed_2kng 1
47 "106 ASP PHI: (105 ILE C)-(106 ASP N)-(106 ASP CA)-(106 ASP C) -93.8 -33.8" 232 1 232 77 parsed_2kng 1
48 "106 ASP PSI: (106 ASP N)-(106 ASP CA)-(106 ASP C)-(107 ALA N) -70.5 -10.5" 237 1 237 77 parsed_2kng 1
49 "107 ALA PHI: (106 ASP C)-(107 ALA N)-(107 ALA CA)-(107 ALA C) -97.3 -37.3" 242 1 242 77 parsed_2kng 1
50 "107 ALA PSI: (107 ALA N)-(107 ALA CA)-(107 ALA C)-(108 TYR N) -69.3 -9.3" 247 1 247 77 parsed_2kng 1
51 "108 TYR PHI: (107 ALA C)-(108 TYR N)-(108 TYR CA)-(108 TYR C) -95.5 -35.5" 252 1 252 77 parsed_2kng 1
52 "108 TYR PSI: (108 TYR N)-(108 TYR CA)-(108 TYR C)-(109 HIS N) -72.7 -12.7" 257 1 257 77 parsed_2kng 1
53 "109 HIS PHI: (108 TYR C)-(109 HIS N)-(109 HIS CA)-(109 HIS C) -98.5 -38.5" 262 1 262 77 parsed_2kng 1
54 "109 HIS PSI: (109 HIS N)-(109 HIS CA)-(109 HIS C)-(110 ALA N) -61.2 -1.2" 267 1 267 77 parsed_2kng 1
55 "110 ALA PHI: (109 HIS C)-(110 ALA N)-(110 ALA CA)-(110 ALA C) -94.6 -34.6" 272 1 272 77 parsed_2kng 1
56 "110 ALA PSI: (110 ALA N)-(110 ALA CA)-(110 ALA C)-(111 ALA N) -62.5 -2.5" 277 1 277 77 parsed_2kng 1
57 "111 ALA PHI: (110 ALA C)-(111 ALA N)-(111 ALA CA)-(111 ALA C) -95.0 -35.0" 282 1 282 77 parsed_2kng 1
58 "111 ALA PSI: (111 ALA N)-(111 ALA CA)-(111 ALA C)-(112 THR N) -68.9 -8.9" 287 1 287 77 parsed_2kng 1
59 "113 LEU PHI: (112 THR C)-(113 LEU N)-(113 LEU CA)-(113 LEU C) -114.5 -54.5" 292 1 292 78 parsed_2kng 1
60 "113 LEU PSI: (113 LEU N)-(113 LEU CA)-(113 LEU C)-(114 GLU N) -48.8 11.2" 297 1 297 77 parsed_2kng 1
61 "114 GLU PHI: (113 LEU C)-(114 GLU N)-(114 GLU CA)-(114 GLU C) -180.0 0.0" 302 1 302 78 parsed_2kng 1
62 "115 HIS PHI: (114 GLU C)-(115 HIS N)-(115 HIS CA)-(115 HIS C) -180.0 0.0" 307 1 307 78 parsed_2kng 1
63 "116 HIS PHI: (115 HIS C)-(116 HIS N)-(116 HIS CA)-(116 HIS C) -180.0 0.0" 312 1 312 78 parsed_2kng 1
64 "117 HIS PHI: (116 HIS C)-(117 HIS N)-(117 HIS CA)-(117 HIS C) -180.0 0.0" 317 1 317 78 parsed_2kng 1
65 "118 HIS PHI: (117 HIS C)-(118 HIS N)-(118 HIS CA)-(118 HIS C) -180.0 0.0" 322 1 322 78 parsed_2kng 1
66 "119 HIS PHI: (118 HIS C)-(119 HIS N)-(119 HIS CA)-(119 HIS C) -180.0 0.0" 327 1 327 78 parsed_2kng 1
stop_
save_
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