NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
613912 |
5iir   |
30028 | cing | 2-parsed | STAR | dihedral angle | 136 |
data_5iir_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5iir
_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_5iir 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5iir
_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 5iir "Master copy" parsed_5iir
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5iir
_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 5iir.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5iir 1
1 5iir.mr . . XPLOR/CNS 2 distance "hydrogen bond" ambi 114 parsed_5iir 1
1 5iir.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 136 parsed_5iir 1
1 5iir.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_5iir 1
1 5iir.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5iir 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5iir
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.134 -28.134 . " A" 2 . C " A" 3 . N " A" 3 . CA " A" 3 . C parsed_5iir 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.189 2.811 . " A" 3 . N " A" 3 . CA " A" 3 . C " A" 4 . N parsed_5iir 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.748 -25.748 . " A" 3 . C " A" 4 . N " A" 4 . CA " A" 4 . C parsed_5iir 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.104 -0.104 . " A" 4 . N " A" 4 . CA " A" 4 . C " A" 5 . N parsed_5iir 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.059 -34.059 . " A" 4 . C " A" 5 . N " A" 5 . CA " A" 5 . C parsed_5iir 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.324 2.676 . " A" 5 . N " A" 5 . CA " A" 5 . C " A" 6 . N parsed_5iir 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.879 -32.879 . " A" 5 . C " A" 6 . N " A" 6 . CA " A" 6 . C parsed_5iir 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.477 -0.477 . " A" 6 . N " A" 6 . CA " A" 6 . C " A" 7 . N parsed_5iir 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.343 -22.343 . " A" 6 . C " A" 7 . N " A" 7 . CA " A" 7 . C parsed_5iir 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.291 -1.291 . " A" 7 . N " A" 7 . CA " A" 7 . C " A" 8 . N parsed_5iir 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.847 -31.847 . " A" 7 . C " A" 8 . N " A" 8 . CA " A" 8 . C parsed_5iir 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.359 -5.359 . " A" 8 . N " A" 8 . CA " A" 8 . C " A" 9 . N parsed_5iir 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.547 -32.547 . " A" 8 . C " A" 9 . N " A" 9 . CA " A" 9 . C parsed_5iir 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.327 -4.327 . " A" 9 . N " A" 9 . CA " A" 9 . C " A" 10 . N parsed_5iir 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.282 -28.282 . " A" 9 . C " A" 10 . N " A" 10 . CA " A" 10 . C parsed_5iir 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.722 -6.722 . " A" 10 . N " A" 10 . CA " A" 10 . C " A" 11 . N parsed_5iir 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.750 -30.750 . " A" 10 . C " A" 11 . N " A" 11 . CA " A" 11 . C parsed_5iir 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.263 -1.263 . " A" 11 . N " A" 11 . CA " A" 11 . C " A" 12 . N parsed_5iir 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.635 -30.635 . " A" 11 . C " A" 12 . N " A" 12 . CA " A" 12 . C parsed_5iir 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.917 -3.917 . " A" 12 . N " A" 12 . CA " A" 12 . C " A" 13 . N parsed_5iir 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.563 -29.563 . " A" 12 . C " A" 13 . N " A" 13 . CA " A" 13 . C parsed_5iir 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.598 -8.598 . " A" 13 . N " A" 13 . CA " A" 13 . C " A" 14 . N parsed_5iir 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.963 -29.963 . " A" 13 . C " A" 14 . N " A" 14 . CA " A" 14 . C parsed_5iir 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.507 -1.507 . " A" 14 . N " A" 14 . CA " A" 14 . C " A" 15 . N parsed_5iir 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.773 -30.773 . " A" 14 . C " A" 15 . N " A" 15 . CA " A" 15 . C parsed_5iir 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.383 -7.383 . " A" 15 . N " A" 15 . CA " A" 15 . C " A" 16 . N parsed_5iir 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.412 -32.412 . " A" 15 . C " A" 16 . N " A" 16 . CA " A" 16 . C parsed_5iir 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.364 -2.364 . " A" 16 . N " A" 16 . CA " A" 16 . C " A" 17 . N parsed_5iir 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.824 -31.824 . " A" 16 . C " A" 17 . N " A" 17 . CA " A" 17 . C parsed_5iir 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.519 -2.519 . " A" 17 . N " A" 17 . CA " A" 17 . C " A" 18 . N parsed_5iir 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.688 -31.688 . " A" 17 . C " A" 18 . N " A" 18 . CA " A" 18 . C parsed_5iir 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.845 -3.845 . " A" 18 . N " A" 18 . CA " A" 18 . C " A" 19 . N parsed_5iir 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.617 -33.617 . " A" 18 . C " A" 19 . N " A" 19 . CA " A" 19 . C parsed_5iir 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.768 -1.768 . " A" 19 . N " A" 19 . CA " A" 19 . C " A" 20 . N parsed_5iir 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.335 -31.335 . " A" 19 . C " A" 20 . N " A" 20 . CA " A" 20 . C parsed_5iir 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.146 -3.146 . " A" 20 . N " A" 20 . CA " A" 20 . C " A" 21 . N parsed_5iir 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.901 -30.901 . " A" 20 . C " A" 21 . N " A" 21 . CA " A" 21 . C parsed_5iir 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.215 -2.215 . " A" 21 . N " A" 21 . CA " A" 21 . C " A" 22 . N parsed_5iir 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.092 -34.092 . " A" 21 . C " A" 22 . N " A" 22 . CA " A" 22 . C parsed_5iir 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.776 -1.776 . " A" 22 . N " A" 22 . CA " A" 22 . C " A" 23 . N parsed_5iir 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.984 -35.984 . " A" 22 . C " A" 23 . N " A" 23 . CA " A" 23 . C parsed_5iir 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.831 -0.831 . " A" 23 . N " A" 23 . CA " A" 23 . C " A" 24 . N parsed_5iir 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.860 -29.860 . " A" 23 . C " A" 24 . N " A" 24 . CA " A" 24 . C parsed_5iir 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.943 -4.943 . " A" 24 . N " A" 24 . CA " A" 24 . C " A" 25 . N parsed_5iir 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.340 -30.340 . " A" 24 . C " A" 25 . N " A" 25 . CA " A" 25 . C parsed_5iir 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.823 -3.823 . " A" 25 . N " A" 25 . CA " A" 25 . C " A" 26 . N parsed_5iir 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.612 -31.612 . " A" 25 . C " A" 26 . N " A" 26 . CA " A" 26 . C parsed_5iir 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.513 -5.513 . " A" 26 . N " A" 26 . CA " A" 26 . C " A" 27 . N parsed_5iir 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.029 -32.029 . " A" 26 . C " A" 27 . N " A" 27 . CA " A" 27 . C parsed_5iir 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.038 -3.038 . " A" 27 . N " A" 27 . CA " A" 27 . C " A" 28 . N parsed_5iir 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.200 -27.200 . " A" 27 . C " A" 28 . N " A" 28 . CA " A" 28 . C parsed_5iir 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.865 -3.865 . " A" 28 . N " A" 28 . CA " A" 28 . C " A" 29 . N parsed_5iir 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.112 -34.112 . " A" 28 . C " A" 29 . N " A" 29 . CA " A" 29 . C parsed_5iir 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.281 2.719 . " A" 29 . N " A" 29 . CA " A" 29 . C " A" 30 . N parsed_5iir 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.408 -45.408 . " A" 29 . C " A" 30 . N " A" 30 . CA " A" 30 . C parsed_5iir 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.600 3.400 . " A" 30 . N " A" 30 . CA " A" 30 . C " A" 31 . N parsed_5iir 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.803 -68.803 . " A" 30 . C " A" 31 . N " A" 31 . CA " A" 31 . C parsed_5iir 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.109 36.891 . " A" 31 . N " A" 31 . CA " A" 31 . C " A" 32 . N parsed_5iir 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.134 -28.134 . " B" 2 . C " B" 3 . N " B" 3 . CA " B" 3 . C parsed_5iir 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.189 2.811 . " B" 3 . N " B" 3 . CA " B" 3 . C " B" 4 . N parsed_5iir 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.748 -25.748 . " B" 3 . C " B" 4 . N " B" 4 . CA " B" 4 . C parsed_5iir 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.104 -0.104 . " B" 4 . N " B" 4 . CA " B" 4 . C " B" 5 . N parsed_5iir 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.059 -34.059 . " B" 4 . C " B" 5 . N " B" 5 . CA " B" 5 . C parsed_5iir 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.324 2.676 . " B" 5 . N " B" 5 . CA " B" 5 . C " B" 6 . N parsed_5iir 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.879 -32.879 . " B" 5 . C " B" 6 . N " B" 6 . CA " B" 6 . C parsed_5iir 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.477 -0.477 . " B" 6 . N " B" 6 . CA " B" 6 . C " B" 7 . N parsed_5iir 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.343 -22.343 . " B" 6 . C " B" 7 . N " B" 7 . CA " B" 7 . C parsed_5iir 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.291 -1.291 . " B" 7 . N " B" 7 . CA " B" 7 . C " B" 8 . N parsed_5iir 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.847 -31.847 . " B" 7 . C " B" 8 . N " B" 8 . CA " B" 8 . C parsed_5iir 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.359 -5.359 . " B" 8 . N " B" 8 . CA " B" 8 . C " B" 9 . N parsed_5iir 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.547 -32.547 . " B" 8 . C " B" 9 . N " B" 9 . CA " B" 9 . C parsed_5iir 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.327 -4.327 . " B" 9 . N " B" 9 . CA " B" 9 . C " B" 10 . N parsed_5iir 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.282 -28.282 . " B" 9 . C " B" 10 . N " B" 10 . CA " B" 10 . C parsed_5iir 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.722 -6.722 . " B" 10 . N " B" 10 . CA " B" 10 . C " B" 11 . N parsed_5iir 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.750 -30.750 . " B" 10 . C " B" 11 . N " B" 11 . CA " B" 11 . C parsed_5iir 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.263 -1.263 . " B" 11 . N " B" 11 . CA " B" 11 . C " B" 12 . N parsed_5iir 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.635 -30.635 . " B" 11 . C " B" 12 . N " B" 12 . CA " B" 12 . C parsed_5iir 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.917 -3.917 . " B" 12 . N " B" 12 . CA " B" 12 . C " B" 13 . N parsed_5iir 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.563 -29.563 . " B" 12 . C " B" 13 . N " B" 13 . CA " B" 13 . C parsed_5iir 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.598 -8.598 . " B" 13 . N " B" 13 . CA " B" 13 . C " B" 14 . N parsed_5iir 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.963 -29.963 . " B" 13 . C " B" 14 . N " B" 14 . CA " B" 14 . C parsed_5iir 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.507 -1.507 . " B" 14 . N " B" 14 . CA " B" 14 . C " B" 15 . N parsed_5iir 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.773 -30.773 . " B" 14 . C " B" 15 . N " B" 15 . CA " B" 15 . C parsed_5iir 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.383 -7.383 . " B" 15 . N " B" 15 . CA " B" 15 . C " B" 16 . N parsed_5iir 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.412 -32.412 . " B" 15 . C " B" 16 . N " B" 16 . CA " B" 16 . C parsed_5iir 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.364 -2.364 . " B" 16 . N " B" 16 . CA " B" 16 . C " B" 17 . N parsed_5iir 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.824 -31.824 . " B" 16 . C " B" 17 . N " B" 17 . CA " B" 17 . C parsed_5iir 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.519 -2.519 . " B" 17 . N " B" 17 . CA " B" 17 . C " B" 18 . N parsed_5iir 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.688 -31.688 . " B" 17 . C " B" 18 . N " B" 18 . CA " B" 18 . C parsed_5iir 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.845 -3.845 . " B" 18 . N " B" 18 . CA " B" 18 . C " B" 19 . N parsed_5iir 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.617 -33.617 . " B" 18 . C " B" 19 . N " B" 19 . CA " B" 19 . C parsed_5iir 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.768 -1.768 . " B" 19 . N " B" 19 . CA " B" 19 . C " B" 20 . N parsed_5iir 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.335 -31.335 . " B" 19 . C " B" 20 . N " B" 20 . CA " B" 20 . C parsed_5iir 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.146 -3.146 . " B" 20 . N " B" 20 . CA " B" 20 . C " B" 21 . N parsed_5iir 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.901 -30.901 . " B" 20 . C " B" 21 . N " B" 21 . CA " B" 21 . C parsed_5iir 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.215 -2.215 . " B" 21 . N " B" 21 . CA " B" 21 . C " B" 22 . N parsed_5iir 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.092 -34.092 . " B" 21 . C " B" 22 . N " B" 22 . CA " B" 22 . C parsed_5iir 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.776 -1.776 . " B" 22 . N " B" 22 . CA " B" 22 . C " B" 23 . N parsed_5iir 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.984 -35.984 . " B" 22 . C " B" 23 . N " B" 23 . CA " B" 23 . C parsed_5iir 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.831 -0.831 . " B" 23 . N " B" 23 . CA " B" 23 . C " B" 24 . N parsed_5iir 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.860 -29.860 . " B" 23 . C " B" 24 . N " B" 24 . CA " B" 24 . C parsed_5iir 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.943 -4.943 . " B" 24 . N " B" 24 . CA " B" 24 . C " B" 25 . N parsed_5iir 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.340 -30.340 . " B" 24 . C " B" 25 . N " B" 25 . CA " B" 25 . C parsed_5iir 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.823 -3.823 . " B" 25 . N " B" 25 . CA " B" 25 . C " B" 26 . N parsed_5iir 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.612 -31.612 . " B" 25 . C " B" 26 . N " B" 26 . CA " B" 26 . C parsed_5iir 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.513 -5.513 . " B" 26 . N " B" 26 . CA " B" 26 . C " B" 27 . N parsed_5iir 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.029 -32.029 . " B" 26 . C " B" 27 . N " B" 27 . CA " B" 27 . C parsed_5iir 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.038 -3.038 . " B" 27 . N " B" 27 . CA " B" 27 . C " B" 28 . N parsed_5iir 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.200 -27.200 . " B" 27 . C " B" 28 . N " B" 28 . CA " B" 28 . C parsed_5iir 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.865 -3.865 . " B" 28 . N " B" 28 . CA " B" 28 . C " B" 29 . N parsed_5iir 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.112 -34.112 . " B" 28 . C " B" 29 . N " B" 29 . CA " B" 29 . C parsed_5iir 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.281 2.719 . " B" 29 . N " B" 29 . CA " B" 29 . C " B" 30 . N parsed_5iir 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.408 -45.408 . " B" 29 . C " B" 30 . N " B" 30 . CA " B" 30 . C parsed_5iir 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.600 3.400 . " B" 30 . N " B" 30 . CA " B" 30 . C " B" 31 . N parsed_5iir 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.803 -68.803 . " B" 30 . C " B" 31 . N " B" 31 . CA " B" 31 . C parsed_5iir 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.109 36.891 . " B" 31 . N " B" 31 . CA " B" 31 . C " B" 32 . N parsed_5iir 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36.400 106.400 . " A" 2 . N " A" 2 . CA " A" 2 . CB " A" 2 . OG parsed_5iir 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.700 -29.700 . " A" 5 . N " A" 5 . CA " A" 5 . CB " A" 5 . CG parsed_5iir 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.400 -36.400 . " A" 6 . N " A" 6 . CA " A" 6 . CB " A" 6 . CG parsed_5iir 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.600 -36.600 . " A" 8 . N " A" 8 . CA " A" 8 . CB " A" 8 . CG parsed_5iir 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.000 -34.000 . " A" 13 . N " A" 13 . CA " A" 13 . CB " A" 13 . CG parsed_5iir 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.100 -39.100 . " A" 17 . N " A" 17 . CA " A" 17 . CB " A" 17 . CG parsed_5iir 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.200 211.200 . " A" 18 . N " A" 18 . CA " A" 18 . CB " A" 18 . CG parsed_5iir 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.400 -36.400 . " A" 22 . N " A" 22 . CA " A" 22 . CB " A" 22 . CG parsed_5iir 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.400 208.400 . " A" 24 . N " A" 24 . CA " A" 24 . CB " A" 24 . CG1 parsed_5iir 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.500 -33.500 . " A" 30 . N " A" 30 . CA " A" 30 . CB " A" 30 . CG parsed_5iir 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36.400 106.400 . " B" 2 . N " B" 2 . CA " B" 2 . CB " B" 2 . OG parsed_5iir 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.700 -29.700 . " B" 5 . N " B" 5 . CA " B" 5 . CB " B" 5 . CG parsed_5iir 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.400 -36.400 . " B" 6 . N " B" 6 . CA " B" 6 . CB " B" 6 . CG parsed_5iir 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.600 -36.600 . " B" 8 . N " B" 8 . CA " B" 8 . CB " B" 8 . CG parsed_5iir 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.000 -34.000 . " B" 13 . N " B" 13 . CA " B" 13 . CB " B" 13 . CG parsed_5iir 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.100 -39.100 . " B" 17 . N " B" 17 . CA " B" 17 . CB " B" 17 . CG parsed_5iir 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.200 211.200 . " B" 18 . N " B" 18 . CA " B" 18 . CB " B" 18 . CG parsed_5iir 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.400 -36.400 . " B" 22 . N " B" 22 . CA " B" 22 . CB " B" 22 . CG parsed_5iir 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.400 208.400 . " B" 24 . N " B" 24 . CA " B" 24 . CB " B" 24 . CG1 parsed_5iir 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.500 -33.500 . " B" 30 . N " B" 30 . CA " B" 30 . CB " B" 30 . CG parsed_5iir 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 "message=on echo=on" 3 1 3 26 parsed_5iir 1
2
;
ASSIGN (segid " A" and resid 10 and name N ) (segid " A" and resid 10 and name CA )
(segid " A" and resid 10 and name CB ) (segid " A" and resid 10 and name CG1 ) 1.00 175.200 35.00 2
;
365 1 366 120 parsed_5iir 1
3
;
ASSIGN (segid " B" and resid 10 and name N ) (segid " B" and resid 10 and name CA )
(segid " B" and resid 10 and name CB ) (segid " B" and resid 10 and name CG1 ) 1.00 175.200 35.00 2
;
398 1 399 120 parsed_5iir 1
4 "message=off echo=off" 420 1 420 28 parsed_5iir 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1
;
# Restraints file 2: 44_dihed_chi.tbl
restraints dihedral reset
;
1 1 2 25 parsed_5iir 1
2 end 421 1 421 3 parsed_5iir 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 1:09:38 PM GMT (wattos1)