NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
43732 |
2bbm   |
cing | 2-parsed | STAR | dihedral angle | 113 |
data_2bbm_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2bbm
_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_2bbm 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2bbm
_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 2bbm "Master copy" parsed_2bbm
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2bbm
_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 2bbm.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2bbm 1
1 2bbm.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2bbm 1
1 2bbm.mr . . XPLOR/CNS 3 distance NOE simple 1486 parsed_2bbm 1
1 2bbm.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 118 parsed_2bbm 1
1 2bbm.mr . . XPLOR/CNS 5 distance NOE simple 164 parsed_2bbm 1
1 2bbm.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 26 parsed_2bbm 1
1 2bbm.mr . . XPLOR/CNS 7 distance NOE simple 132 parsed_2bbm 1
1 2bbm.mr . . XPLOR/CNS 8 distance "hydrogen bond" simple 24 parsed_2bbm 1
1 2bbm.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_2bbm 1
1 2bbm.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 113 parsed_2bbm 1
1 2bbm.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2bbm 1
stop_
save_
save_CNS/XPLOR_dihedral_10
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2bbm
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 10
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2bbm 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2bbm 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2bbm 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2bbm 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2bbm 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2bbm 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2bbm 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2bbm 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2bbm 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2bbm 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2bbm 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2bbm 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2bbm 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2bbm 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2bbm 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2bbm 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2bbm 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2bbm 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2bbm 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2bbm 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2bbm 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2bbm 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2bbm 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2bbm 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2bbm 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 20.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_2bbm 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_2bbm 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_2bbm 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2bbm 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2bbm 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_2bbm 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_2bbm 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_2bbm 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2bbm 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_2bbm 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_2bbm 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_2bbm 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_2bbm 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_2bbm 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_2bbm 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_2bbm 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_2bbm 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_2bbm 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_2bbm 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_2bbm 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_2bbm 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_2bbm 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_2bbm 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 72 . c . 73 . n . 73 . ca . 73 . c parsed_2bbm 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.0 -25.0 . . 73 . c . 74 . n . 74 . ca . 74 . c parsed_2bbm 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 20.0 . . 82 . c . 83 . n . 83 . ca . 83 . c parsed_2bbm 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 83 . c . 84 . n . 84 . ca . 84 . c parsed_2bbm 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 84 . c . 85 . n . 85 . ca . 85 . c parsed_2bbm 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 85 . c . 86 . n . 86 . ca . 86 . c parsed_2bbm 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 86 . c . 87 . n . 87 . ca . 87 . c parsed_2bbm 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -5.0 . . 87 . c . 88 . n . 88 . ca . 88 . c parsed_2bbm 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 88 . c . 89 . n . 89 . ca . 89 . c parsed_2bbm 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -30.0 . . 89 . c . 90 . n . 90 . ca . 90 . c parsed_2bbm 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -25.0 . . 90 . c . 91 . n . 91 . ca . 91 . c parsed_2bbm 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -10.0 . . 91 . c . 92 . n . 92 . ca . 92 . c parsed_2bbm 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 93 . c . 94 . n . 94 . ca . 94 . c parsed_2bbm 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -50.0 . . 94 . c . 95 . n . 95 . ca . 95 . c parsed_2bbm 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 96 . c . 97 . n . 97 . ca . 97 . c parsed_2bbm 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 98 . c . 99 . n . 99 . ca . 99 . c parsed_2bbm 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 99 . c . 100 . n . 100 . ca . 100 . c parsed_2bbm 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 101 . c . 102 . n . 102 . ca . 102 . c parsed_2bbm 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 102 . c . 103 . n . 103 . ca . 103 . c parsed_2bbm 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 103 . c . 104 . n . 104 . ca . 104 . c parsed_2bbm 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 104 . c . 105 . n . 105 . ca . 105 . c parsed_2bbm 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 105 . c . 106 . n . 106 . ca . 106 . c parsed_2bbm 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 107 . c . 108 . n . 108 . ca . 108 . c parsed_2bbm 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 108 . c . 109 . n . 109 . ca . 109 . c parsed_2bbm 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 109 . c . 110 . n . 110 . ca . 110 . c parsed_2bbm 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 110 . c . 111 . n . 111 . ca . 111 . c parsed_2bbm 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 111 . c . 112 . n . 112 . ca . 112 . c parsed_2bbm 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 118 . c . 119 . n . 119 . ca . 119 . c parsed_2bbm 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 119 . c . 120 . n . 120 . ca . 120 . c parsed_2bbm 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 121 . c . 122 . n . 122 . ca . 122 . c parsed_2bbm 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 122 . c . 123 . n . 123 . ca . 123 . c parsed_2bbm 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 123 . c . 124 . n . 124 . ca . 124 . c parsed_2bbm 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 124 . c . 125 . n . 125 . ca . 125 . c parsed_2bbm 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 125 . c . 126 . n . 126 . ca . 126 . c parsed_2bbm 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 126 . c . 127 . n . 127 . ca . 127 . c parsed_2bbm 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 127 . c . 128 . n . 128 . ca . 128 . c parsed_2bbm 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 128 . c . 129 . n . 129 . ca . 129 . c parsed_2bbm 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 129 . c . 130 . n . 130 . ca . 130 . c parsed_2bbm 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -50.0 . . 130 . c . 131 . n . 131 . ca . 131 . c parsed_2bbm 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 134 . c . 135 . n . 135 . ca . 135 . c parsed_2bbm 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 135 . c . 136 . n . 136 . ca . 136 . c parsed_2bbm 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 136 . c . 137 . n . 137 . ca . 137 . c parsed_2bbm 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 137 . c . 138 . n . 138 . ca . 138 . c parsed_2bbm 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 138 . c . 139 . n . 139 . ca . 139 . c parsed_2bbm 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 139 . c . 140 . n . 140 . ca . 140 . c parsed_2bbm 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 140 . c . 141 . n . 141 . ca . 141 . c parsed_2bbm 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 141 . c . 142 . n . 142 . ca . 142 . c parsed_2bbm 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 142 . c . 143 . n . 143 . ca . 143 . c parsed_2bbm 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 40.0 . . 143 . c . 144 . n . 144 . ca . 144 . c parsed_2bbm 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 20.0 . . 204 . c . 205 . n . 205 . ca . 205 . c parsed_2bbm 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 205 . c . 206 . n . 206 . ca . 206 . c parsed_2bbm 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 206 . c . 207 . n . 207 . ca . 207 . c parsed_2bbm 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 207 . c . 208 . n . 208 . ca . 208 . c parsed_2bbm 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 208 . c . 209 . n . 209 . ca . 209 . c parsed_2bbm 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 209 . c . 210 . n . 210 . ca . 210 . c parsed_2bbm 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 210 . c . 211 . n . 211 . ca . 211 . c parsed_2bbm 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 211 . c . 212 . n . 212 . ca . 212 . c parsed_2bbm 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 212 . c . 213 . n . 213 . ca . 213 . c parsed_2bbm 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 213 . c . 214 . n . 214 . ca . 214 . c parsed_2bbm 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 214 . c . 215 . n . 215 . ca . 215 . c parsed_2bbm 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 215 . c . 216 . n . 216 . ca . 216 . c parsed_2bbm 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 216 . c . 217 . n . 217 . ca . 217 . c parsed_2bbm 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 217 . c . 218 . n . 218 . ca . 218 . c parsed_2bbm 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 218 . c . 219 . n . 219 . ca . 219 . c parsed_2bbm 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 20.0 . . 219 . c . 220 . n . 220 . ca . 220 . c parsed_2bbm 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 "!phi restraints minimum deviation = 30 degrees" 1 1 1 51 parsed_2bbm 1
2
;
!Q3
assign (resid 2 and name c) (resid 3 and name n)
(resid 3 and name ca) (resid 3 and name c) 1.0 -60.0 50.0 2
!E6
assign (resid 5 and name c) (resid 6 and name n)
(resid 6 and name ca) (resid 6 and name c) 1.0 -60.0 80.0 2
!E7
;
3 1 9 5 parsed_2bbm 1
3 !Q8 12 1 12 5 parsed_2bbm 1
4 !I9 15 1 15 5 parsed_2bbm 1
5 !A10 18 1 18 6 parsed_2bbm 1
6 !E11 21 1 21 6 parsed_2bbm 1
7 !F12 24 1 24 6 parsed_2bbm 1
8 !K13 27 1 27 6 parsed_2bbm 1
9 !E14 30 1 30 6 parsed_2bbm 1
10 !A15 33 1 33 6 parsed_2bbm 1
11 !F16 36 1 36 6 parsed_2bbm 1
12 !S17 39 1 39 6 parsed_2bbm 1
13 !K21 42 1 42 6 parsed_2bbm 1
14 !D22 45 1 45 6 parsed_2bbm 1
15 !T26 48 1 48 6 parsed_2bbm 1
16 !I27 51 1 51 6 parsed_2bbm 1
17 !T28 54 1 54 6 parsed_2bbm 1
18 !T29 57 1 57 6 parsed_2bbm 1
19 !E31 60 1 60 6 parsed_2bbm 1
20 !L32 63 1 63 6 parsed_2bbm 1
21
;
!G33
assign (resid 32 and name c) (resid 33 and name n)
(resid 33 and name ca) (resid 33 and name c) 1.0 -60.0 50.0 2
!T34
;
66 1 69 6 parsed_2bbm 1
22 !V35 72 1 72 6 parsed_2bbm 1
23 !M36 75 1 75 6 parsed_2bbm 1
24 !R37 78 1 78 6 parsed_2bbm 1
25 !S38 81 1 81 6 parsed_2bbm 1
26 !L39 84 1 84 6 parsed_2bbm 1
27
;
!Q41
assign (resid 40 and name c) (resid 41 and name n)
(resid 41 and name ca) (resid 41 and name c) 1.0 -120.0 60.0 2
!E45
;
87 1 90 6 parsed_2bbm 1
28 !A46 93 1 93 6 parsed_2bbm 1
29 !E47 96 1 96 6 parsed_2bbm 1
30 !L48 99 1 99 6 parsed_2bbm 1
31 !Q49 102 1 102 6 parsed_2bbm 1
32 !D50 105 1 105 6 parsed_2bbm 1
33 !M51 108 1 108 6 parsed_2bbm 1
34 !N53 111 1 111 6 parsed_2bbm 1
35 !E54 114 1 114 6 parsed_2bbm 1
36 !V55 117 1 117 6 parsed_2bbm 1
37 !D56 120 1 120 6 parsed_2bbm 1
38 !A57 123 1 123 6 parsed_2bbm 1
39 !D58 126 1 126 6 parsed_2bbm 1
40 !N60 129 1 129 6 parsed_2bbm 1
41 !T62 132 1 132 6 parsed_2bbm 1
42 !I63 135 1 135 6 parsed_2bbm 1
43 !D64 138 1 138 6 parsed_2bbm 1
44 !F65 141 1 141 6 parsed_2bbm 1
45 !F68 144 1 144 6 parsed_2bbm 1
46 !L69 147 1 147 6 parsed_2bbm 1
47 !T70 150 1 150 6 parsed_2bbm 1
48 !M71 153 1 153 6 parsed_2bbm 1
49 !M72 156 1 156 6 parsed_2bbm 1
50 !A73 159 1 159 6 parsed_2bbm 1
51
;
30.0 2
!R74
;
161 73 162 6 parsed_2bbm 1
52
;
!K75
assign (resid 74 and name c) (resid 75 and name n)
(resid 75 and name ca) (resid 75 and name c) 1.0 -60.0 35.0 2
!M76
assign (resid 75 and name c) (resid 76 and name n)
(resid 76 and name ca) (resid 76 and name c) 1.0 -80.0 75.0 2
!K77
assign (resid 76 and name c) (resid 77 and name n)
(resid 77 and name ca) (resid 77 and name c) 1.0 -65.0 60.0 2 !30.0 2
!
T79
assign (resid 78 and name c) (resid 79 and name n)
(resid 79 and name ca) (resid 79 and name c) 1.0 -85.0 90.0 2 !60.0 2 !30.0 2
!D80
assign (resid 79 and name c) (resid 80 and name n)
(resid 80 and name ca) (resid 80 and name c) 1.0 -80.0 120.0 2 !90.0 2 !60.0 2 !30.0 2
!S81
assign (resid 80 and name c) (resid 81 and name n)
(resid 81 and name ca) (resid 81 and name c) 1.0 -80.0 75.0 2
!E82
assign (resid 81 and name c) (resid 82 and name n)
(resid 82 and name ca) (resid 82 and name c) 1.0 -60.0 80.0 2
!E83
;
165 1 187 6 parsed_2bbm 1
53 !E84 190 1 190 6 parsed_2bbm 1
54 !I85 193 1 193 6 parsed_2bbm 1
55 !R86 196 1 196 6 parsed_2bbm 1
56 !E87 199 1 199 6 parsed_2bbm 1
57 !A88 202 1 202 6 parsed_2bbm 1
58 !F89 205 1 205 6 parsed_2bbm 1
59 !R90 208 1 208 6 parsed_2bbm 1
60 !V91 211 1 211 6 parsed_2bbm 1
61 !F92 214 1 214 6 parsed_2bbm 1
62 !K94 217 1 217 6 parsed_2bbm 1
63 !D95 220 1 220 6 parsed_2bbm 1
64 !N97 223 1 223 6 parsed_2bbm 1
65 !F99 226 1 226 6 parsed_2bbm 1
66 !I100 229 1 229 7 parsed_2bbm 1
67 !A102 232 1 232 7 parsed_2bbm 1
68 !A103 235 1 235 7 parsed_2bbm 1
69 !E104 238 1 238 7 parsed_2bbm 1
70 !L105 241 1 241 7 parsed_2bbm 1
71 !R106 244 1 244 7 parsed_2bbm 1
72 !V108 247 1 247 7 parsed_2bbm 1
73 !M109 250 1 250 7 parsed_2bbm 1
74 !T110 253 1 253 7 parsed_2bbm 1
75 !N111 256 1 256 7 parsed_2bbm 1
76 !L112 259 1 259 7 parsed_2bbm 1
77 !E119 262 1 262 7 parsed_2bbm 1
78 !E120 265 1 265 7 parsed_2bbm 1
79 !D122 268 1 268 7 parsed_2bbm 1
80 !E123 271 1 271 7 parsed_2bbm 1
81 !M124 274 1 274 7 parsed_2bbm 1
82 !I125 277 1 277 7 parsed_2bbm 1
83 !R126 280 1 280 7 parsed_2bbm 1
84 !E127 283 1 283 7 parsed_2bbm 1
85 "!A128 ***" 286 1 286 11 parsed_2bbm 1
86 "!D129 ***" 289 1 289 11 parsed_2bbm 1
87 "!I130 ***" 292 1 292 11 parsed_2bbm 1
88 !D131 295 1 295 7 parsed_2bbm 1
89 !Q135 298 1 298 7 parsed_2bbm 1
90 !V136 301 1 301 7 parsed_2bbm 1
91 !N137 304 1 304 7 parsed_2bbm 1
92 !Y138 307 1 307 7 parsed_2bbm 1
93 !E139 310 1 310 7 parsed_2bbm 1
94 !E140 313 1 313 7 parsed_2bbm 1
95 !F141 316 1 316 7 parsed_2bbm 1
96 !V142 319 1 319 7 parsed_2bbm 1
97 !T143 322 1 322 7 parsed_2bbm 1
98 !M144 325 1 325 7 parsed_2bbm 1
99
;
!
! M13 peptide
! W4
assign (resid 203 and name c) (resid 204 and name n)
(resid 204 and name ca) (resid 204 and name c) 1.0 -60.0 100.0 2
! K5
;
328 1 333 6 parsed_2bbm 1
100 "! K6" 336 1 336 6 parsed_2bbm 1
101 "! N7" 339 1 339 6 parsed_2bbm 1
102 "! F8" 342 1 342 6 parsed_2bbm 1
103 "! I9" 345 1 345 6 parsed_2bbm 1
104 "! A10" 348 1 348 7 parsed_2bbm 1
105 "! V11" 351 1 351 7 parsed_2bbm 1
106 "! S12" 354 1 354 7 parsed_2bbm 1
107 "! A13" 357 1 357 7 parsed_2bbm 1
108 "! A14" 360 1 360 7 parsed_2bbm 1
109 "! K15" 363 1 363 7 parsed_2bbm 1
110 "! R16" 366 1 366 7 parsed_2bbm 1
111 "! F17" 369 1 369 7 parsed_2bbm 1
112 "! K18" 372 1 372 7 parsed_2bbm 1
113 "! K19" 375 1 375 7 parsed_2bbm 1
114 "! I20" 378 1 378 7 parsed_2bbm 1
115
;
! S21
assign (resid 220 and name c) (resid 221 and name n)
(resid 221 and name ca) (resid 221 and name c) 1.0 -60.0 100.0 2
!
;
381 1 384 3 parsed_2bbm 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 "cons dihedral reset" 2 1 2 19 parsed_2bbm 1
stop_
save_
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