NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
601979 |
2mdp   |
19498 | cing | 2-parsed | STAR | dihedral angle | 122 |
data_2mdp_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mdp
_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_2mdp 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mdp
_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 2mdp "Master copy" parsed_2mdp
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mdp
_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 2mdp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mdp 1
1 2mdp.mr . . XPLOR/CNS 2 distance NOE simple 848 parsed_2mdp 1
1 2mdp.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_2mdp 1
1 2mdp.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 122 parsed_2mdp 1
1 2mdp.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2mdp 1
1 2mdp.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mdp 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mdp
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.54 -29.06 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2mdp 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.04 -55.24 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2mdp 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.58 -55.70 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2mdp 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.32 -56.98 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2mdp 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.53 -55.01 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2mdp 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.16 -53.40 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2mdp 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.94 -54.10 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2mdp 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.80 -51.24 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2mdp 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.42 -35.02 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2mdp 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.12 -54.20 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2mdp 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.84 -53.84 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2mdp 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.75 -61.23 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2mdp 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.04 -50.74 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2mdp 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.11 -76.35 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2mdp 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.48 71.04 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2mdp 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.81 -62.25 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2mdp 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.09 -81.99 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2mdp 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.50 -71.68 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2mdp 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.99 -77.61 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2mdp 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.09 -94.59 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2mdp 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.76 -75.72 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2mdp 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.81 -57.41 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2mdp 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.52 -51.94 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2mdp 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.27 -68.13 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2mdp 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.23 -105.27 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2mdp 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.23 -98.57 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2mdp 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.87 -107.53 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2mdp 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.02 -97.80 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2mdp 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.84 -89.12 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2mdp 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.76 -30.18 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2mdp 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.83 -65.59 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2mdp 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.98 -146.72 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2mdp 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.77 -74.31 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2mdp 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.52 -64.96 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2mdp 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.26 -85.08 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2mdp 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.41 -85.09 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2mdp 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.10 -120.88 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2mdp 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.48 -63.58 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2mdp 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.45 -47.53 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2mdp 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.28 -41.90 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2mdp 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -47.32 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2mdp 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.31 -54.03 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_2mdp 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.27 -50.27 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2mdp 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.09 -52.25 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2mdp 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.91 -58.15 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2mdp 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.21 -53.81 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_2mdp 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.31 -52.95 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2mdp 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.06 -52.20 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2mdp 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.17 -40.91 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2mdp 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.35 -57.71 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2mdp 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.77 -56.21 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_2mdp 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.19 -53.85 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_2mdp 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.02 -56.58 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_2mdp 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.56 -55.62 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2mdp 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.64 -49.26 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_2mdp 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.43 -45.67 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2mdp 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.74 -37.44 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_2mdp 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.54 -40.04 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_2mdp 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.38 -41.80 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_2mdp 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.77 -62.51 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_2mdp 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.74 -26.20 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_2mdp 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.58 7.32 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2mdp 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.26 -28.26 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2mdp 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.08 -27.46 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2mdp 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.19 -32.11 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2mdp 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.79 -34.31 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2mdp 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.51 -27.93 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2mdp 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.76 -25.06 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2mdp 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.74 -24.46 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2mdp 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.42 -1.48 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2mdp 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.17 -38.39 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2mdp 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.45 -28.89 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2mdp 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.69 -31.17 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2mdp 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.23 -9.77 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2mdp 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.34 26.68 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2mdp 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16.45 55.91 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2mdp 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.12 188.34 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2mdp 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.81 180.69 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2mdp 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.21 147.23 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2mdp 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.28 149.80 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2mdp 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.14 171.36 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2mdp 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.55 164.15 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2mdp 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.06 178.18 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2mdp 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.05 -7.77 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2mdp 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.90 29.34 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2mdp 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.10 156.20 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2mdp 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.14 165.30 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2mdp 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.35 170.49 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2mdp 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.96 139.54 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_2mdp 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.55 189.67 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2mdp 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.99 11.35 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2mdp 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.92 -24.22 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2mdp 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139.33 174.63 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2mdp 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.18 169.54 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2mdp 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.81 166.71 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2mdp 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.94 167.62 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2mdp 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.63 179.89 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2mdp 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.30 179.78 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2mdp 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.22 153.02 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2mdp 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.89 178.87 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2mdp 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.58 -0.98 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2mdp 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.63 -19.67 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2mdp 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.39 -32.75 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_2mdp 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.44 -29.50 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2mdp 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.93 -19.61 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2mdp 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.03 -27.79 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_2mdp 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.70 -32.30 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_2mdp 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.74 -16.44 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_2mdp 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.55 -24.71 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_2mdp 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.47 -33.05 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_2mdp 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.12 -33.00 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2mdp 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.92 -28.12 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_2mdp 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.01 -20.41 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_2mdp 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.81 -31.07 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_2mdp 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.80 -23.36 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_2mdp 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.41 -36.75 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_2mdp 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.87 -24.63 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2mdp 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.00 -4.12 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_2mdp 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.45 4.55 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_2mdp 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.33 -14.25 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_2mdp 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.20 35.98 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_2mdp 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52.11 182.65 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_2mdp 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 "1. L 9 Phi -70.30 +/- 41.24 (-111.53 to -29.06)" 1 1 1 50 parsed_2mdp 1
2 "2. A 10 Phi -65.64 +/- 10.40 (-76.05 to -55.24)" 6 1 6 50 parsed_2mdp 1
3 "3. A 11 Phi -68.64 +/- 12.94 (-81.58 to -55.70)" 11 1 11 50 parsed_2mdp 1
4 "4. F 12 Phi -66.65 +/- 9.67 (-76.32 to -56.98)" 16 1 16 49 parsed_2mdp 1
5 "5. K 13 Phi -64.27 +/- 9.26 (-73.53 to -55.00)" 21 1 21 49 parsed_2mdp 1
6 "6. A 14 Phi -63.28 +/- 9.88 (-73.15 to -53.40)" 26 1 26 49 parsed_2mdp 1
7 "7. A 15 Phi -66.02 +/- 11.92 (-77.94 to -54.11)" 31 1 31 50 parsed_2mdp 1
8 "8. T 16 Phi -64.52 +/- 13.28 (-77.80 to -51.24)" 36 1 36 50 parsed_2mdp 1
9 "9. N 17 Phi -66.72 +/- 31.70 (-98.42 to -35.02)" 41 1 41 50 parsed_2mdp 1
10 "10. K 18 Phi -61.66 +/- 7.46 (-69.12 to -54.19)" 46 1 46 50 parsed_2mdp 1
11 "11. L 19 Phi -61.84 +/- 8.00 (-69.84 to -53.84)" 51 1 51 50 parsed_2mdp 1
12 "12. F 20 Phi -67.49 +/- 6.26 (-73.75 to -61.22)" 56 1 56 50 parsed_2mdp 1
13 "13. Q 21 Phi -63.89 +/- 13.15 (-77.04 to -50.73)" 61 1 61 51 parsed_2mdp 1
14 "14. L 22 Phi -93.73 +/- 17.38 (-111.11 to -76.36)" 66 1 66 52 parsed_2mdp 1
15 "15. D 23 Phi 60.76 +/- 10.28 (50.48 to 71.04)" 71 1 71 48 parsed_2mdp 1
16 "16. L 24 Phi -104.53 +/- 42.28 (-146.81 to -62.25)" 76 1 76 53 parsed_2mdp 1
17 "17. A 25 Phi -119.54 +/- 37.55 (-157.09 to -82.00)" 81 1 81 53 parsed_2mdp 1
18 "18. V 26 Phi -110.59 +/- 38.91 (-149.50 to -71.67)" 86 1 86 53 parsed_2mdp 1
19 "19. I 27 Phi -109.30 +/- 31.69 (-140.99 to -77.62)" 91 1 91 53 parsed_2mdp 1
20 "20. Y 28 Phi -116.34 +/- 21.75 (-138.09 to -94.58)" 96 1 96 53 parsed_2mdp 1
21 "21. D 29 Phi -123.24 +/- 47.52 (-170.76 to -75.72)" 101 1 101 53 parsed_2mdp 1
22 "22. D 30 Phi -115.11 +/- 57.70 (-172.81 to -57.41)" 106 1 106 53 parsed_2mdp 1
23 "23. Y 35 Phi -72.73 +/- 20.79 (-93.52 to -51.94)" 111 1 111 51 parsed_2mdp 1
24 "24. T 36 Phi -91.20 +/- 23.07 (-114.28 to -68.13)" 116 1 116 52 parsed_2mdp 1
25 "25. R 42 Phi -130.75 +/- 25.48 (-156.23 to -105.28)" 121 1 121 54 parsed_2mdp 1
26 "26. L 43 Phi -125.40 +/- 26.83 (-152.23 to -98.57)" 126 1 126 53 parsed_2mdp 1
27 "27. R 44 Phi -137.20 +/- 29.67 (-166.86 to -107.53)" 131 1 131 54 parsed_2mdp 1
28 "28. I 45 Phi -114.41 +/- 16.61 (-131.02 to -97.80)" 136 1 136 53 parsed_2mdp 1
29 "29. E 46 Phi -127.48 +/- 38.36 (-165.84 to -89.11)" 141 1 141 53 parsed_2mdp 1
30 "30. R 48 Phi -61.97 +/- 31.79 (-93.76 to -30.18)" 146 1 146 51 parsed_2mdp 1
31 "31. I 53 Phi -87.21 +/- 21.62 (-108.83 to -65.58)" 151 1 151 52 parsed_2mdp 1
32 "32. D 54 Phi -164.35 +/- 17.63 (-181.99 to -146.72)" 156 1 156 54 parsed_2mdp 1
33 "33. T 55 Phi -112.04 +/- 37.73 (-149.77 to -74.30)" 161 1 161 53 parsed_2mdp 1
34 "34. S 56 Phi -107.74 +/- 42.78 (-150.52 to -64.96)" 166 1 166 53 parsed_2mdp 1
35 "35. T 57 Phi -120.17 +/- 35.09 (-155.26 to -85.08)" 171 1 171 53 parsed_2mdp 1
36 "36. F 58 Phi -124.75 +/- 39.66 (-164.41 to -85.10)" 176 1 176 53 parsed_2mdp 1
37 "37. Y 59 Phi -139.99 +/- 19.11 (-159.10 to -120.88)" 181 1 181 54 parsed_2mdp 1
38 "38. H 61 Phi -111.53 +/- 47.95 (-159.48 to -63.58)" 186 1 186 53 parsed_2mdp 1
39 "39. D 62 Phi -92.99 +/- 45.46 (-138.45 to -47.52)" 191 1 191 52 parsed_2mdp 1
40 "40. E 63 Phi -57.09 +/- 15.19 (-72.29 to -41.90)" 196 1 196 51 parsed_2mdp 1
41 "41. D 64 Phi -63.66 +/- 16.34 (-80.00 to -47.32)" 201 1 201 51 parsed_2mdp 1
42 "42. V 65 Phi -63.67 +/- 9.64 (-73.31 to -54.03)" 206 1 206 50 parsed_2mdp 1
43 "43. L 66 Phi -61.77 +/- 11.50 (-73.27 to -50.28)" 211 1 211 51 parsed_2mdp 1
44 "44. F 67 Phi -61.67 +/- 9.42 (-71.09 to -52.25)" 216 1 216 50 parsed_2mdp 1
45 "45. N 68 Phi -67.03 +/- 8.88 (-75.91 to -58.15)" 221 1 221 50 parsed_2mdp 1
46 "46. M 69 Phi -60.51 +/- 6.70 (-67.21 to -53.81)" 226 1 226 50 parsed_2mdp 1
47 "47. C 70 Phi -66.63 +/- 13.68 (-80.30 to -52.95)" 231 1 231 51 parsed_2mdp 1
48 "48. T 71 Phi -68.13 +/- 15.93 (-84.06 to -52.20)" 236 1 236 51 parsed_2mdp 1
49 "49. D 72 Phi -58.04 +/- 17.13 (-75.16 to -40.91)" 241 1 241 51 parsed_2mdp 1
50 "50. W 73 Phi -63.53 +/- 5.82 (-69.35 to -57.70)" 246 1 246 50 parsed_2mdp 1
51 "51. L 74 Phi -62.99 +/- 6.78 (-69.77 to -56.22)" 251 1 251 50 parsed_2mdp 1
52 "52. N 75 Phi -63.52 +/- 9.67 (-73.19 to -53.85)" 256 1 256 50 parsed_2mdp 1
53 "53. H 76 Phi -62.80 +/- 6.22 (-69.02 to -56.57)" 261 1 261 50 parsed_2mdp 1
54 "54. M 77 Phi -66.09 +/- 10.47 (-76.56 to -55.62)" 266 1 266 51 parsed_2mdp 1
55 "55. Y 78 Phi -59.45 +/- 10.19 (-69.64 to -49.27)" 271 1 271 51 parsed_2mdp 1
56 "56. D 79 Phi -62.55 +/- 16.88 (-79.42 to -45.67)" 276 1 276 51 parsed_2mdp 1
57 "57. Q 80 Phi -71.09 +/- 33.65 (-104.74 to -37.44)" 281 1 281 52 parsed_2mdp 1
58 "58. L 81 Phi -73.29 +/- 33.25 (-106.54 to -40.04)" 286 1 286 52 parsed_2mdp 1
59 "59. K 82 Phi -62.09 +/- 20.29 (-82.38 to -41.80)" 291 1 291 51 parsed_2mdp 1
60 "60. D 83 Phi -98.14 +/- 35.63 (-133.77 to -62.51)" 296 1 296 52 parsed_2mdp 1
61 "61. W 84 Phi -90.97 +/- 64.77 (-155.74 to -26.21)" 301 1 301 52 parsed_2mdp 1
62 "62. L 9 Psi -31.13 +/- 38.45 (-69.59 to 7.32)" 307 1 307 48 parsed_2mdp 1
63 "63. A 10 Psi -41.26 +/- 13.00 (-54.25 to -28.26)" 312 1 312 51 parsed_2mdp 1
64 "64. A 11 Psi -36.27 +/- 8.81 (-45.08 to -27.46)" 317 1 317 50 parsed_2mdp 1
65 "65. F 12 Psi -43.65 +/- 11.54 (-55.19 to -32.11)" 322 1 322 51 parsed_2mdp 1
66 "66. K 13 Psi -41.55 +/- 7.24 (-48.79 to -34.30)" 327 1 327 50 parsed_2mdp 1
67 "67. A 14 Psi -39.72 +/- 11.79 (-51.50 to -27.93)" 332 1 332 51 parsed_2mdp 1
68 "68. A 15 Psi -39.91 +/- 14.85 (-54.76 to -25.05)" 337 1 337 51 parsed_2mdp 1
69 "69. T 16 Psi -42.10 +/- 17.64 (-59.74 to -24.45)" 342 1 342 51 parsed_2mdp 1
70 "70. N 17 Psi -37.45 +/- 35.97 (-73.42 to -1.47)" 347 1 347 50 parsed_2mdp 1
71 "71. K 18 Psi -46.28 +/- 7.89 (-54.17 to -38.39)" 352 1 352 50 parsed_2mdp 1
72 "72. L 19 Psi -40.67 +/- 11.78 (-52.45 to -28.89)" 357 1 357 51 parsed_2mdp 1
73 "73. F 20 Psi -41.43 +/- 10.26 (-51.69 to -31.17)" 362 1 362 51 parsed_2mdp 1
74 "74. Q 21 Psi -31.00 +/- 21.23 (-52.23 to -9.77)" 367 1 367 50 parsed_2mdp 1
75 "75. L 22 Psi 13.17 +/- 13.51 (-0.34 to 26.67)" 372 1 372 48 parsed_2mdp 1
76 "76. D 23 Psi 36.18 +/- 19.73 (16.45 to 55.92)" 377 1 377 48 parsed_2mdp 1
77 "77. L 24 Psi 153.73 +/- 34.61 (119.12 to 188.33)" 382 1 382 51 parsed_2mdp 1
78 "78. A 25 Psi 141.25 +/- 39.44 (101.80 to 180.69)" 387 1 387 51 parsed_2mdp 1
79 "79. V 26 Psi 124.72 +/- 22.51 (102.21 to 147.23)" 392 1 392 51 parsed_2mdp 1
80 "80. I 27 Psi 128.04 +/- 21.76 (106.28 to 149.80)" 397 1 397 51 parsed_2mdp 1
81 "81. Y 28 Psi 136.25 +/- 35.11 (101.15 to 171.36)" 402 1 402 51 parsed_2mdp 1
82 "82. D 29 Psi 143.85 +/- 20.30 (123.55 to 164.15)" 407 1 407 51 parsed_2mdp 1
83 "83. D 30 Psi 148.62 +/- 29.56 (119.06 to 178.17)" 412 1 412 51 parsed_2mdp 1
84 "84. Y 35 Psi -36.91 +/- 29.14 (-66.05 to -7.77)" 417 1 417 50 parsed_2mdp 1
85 "85. T 36 Psi -1.28 +/- 30.62 (-31.89 to 29.34)" 422 1 422 49 parsed_2mdp 1
86 "86. R 42 Psi 135.15 +/- 21.05 (114.10 to 156.20)" 427 1 427 51 parsed_2mdp 1
87 "87. L 43 Psi 138.72 +/- 26.58 (112.15 to 165.30)" 432 1 432 51 parsed_2mdp 1
88 "88. R 44 Psi 144.42 +/- 26.07 (118.35 to 170.49)" 437 1 437 51 parsed_2mdp 1
89 "89. I 45 Psi 126.25 +/- 13.29 (112.96 to 139.53)" 442 1 442 51 parsed_2mdp 1
90 "90. E 46 Psi 158.11 +/- 31.56 (126.55 to 189.67)" 447 1 447 51 parsed_2mdp 1
91 "91. R 48 Psi -21.32 +/- 32.67 (-53.98 to 11.35)" 452 1 452 50 parsed_2mdp 1
92 "92. I 53 Psi -42.57 +/- 18.35 (-60.92 to -24.22)" 457 1 457 51 parsed_2mdp 1
93 "93. D 54 Psi 156.98 +/- 17.65 (139.33 to 174.62)" 462 1 462 51 parsed_2mdp 1
94 "94. T 55 Psi 140.86 +/- 28.68 (112.19 to 169.54)" 467 1 467 51 parsed_2mdp 1
95 "95. S 56 Psi 143.26 +/- 23.45 (119.81 to 166.71)" 472 1 472 51 parsed_2mdp 1
96 "96. T 57 Psi 134.78 +/- 32.84 (101.95 to 167.62)" 477 1 477 51 parsed_2mdp 1
97 "97. F 58 Psi 147.76 +/- 32.13 (115.63 to 179.90)" 482 1 482 51 parsed_2mdp 1
98 "98. Y 59 Psi 146.04 +/- 33.74 (112.30 to 179.78)" 487 1 487 51 parsed_2mdp 1
99 "99. H 61 Psi 119.62 +/- 33.40 (86.22 to 153.02)" 492 1 492 50 parsed_2mdp 1
100 "100. D 62 Psi 120.88 +/- 57.99 (62.89 to 178.88)" 497 1 497 51 parsed_2mdp 1
101 "101. E 63 Psi -35.78 +/- 34.80 (-70.59 to -0.98)" 502 1 502 51 parsed_2mdp 1
102 "102. D 64 Psi -38.65 +/- 18.98 (-57.63 to -19.67)" 507 1 507 52 parsed_2mdp 1
103 "103. V 65 Psi -45.07 +/- 12.32 (-57.39 to -32.75)" 512 1 512 52 parsed_2mdp 1
104 "104. L 66 Psi -42.47 +/- 12.97 (-55.44 to -29.50)" 517 1 517 52 parsed_2mdp 1
105 "105. F 67 Psi -38.27 +/- 18.66 (-56.93 to -19.61)" 522 1 522 52 parsed_2mdp 1
106 "106. N 68 Psi -42.41 +/- 14.62 (-57.03 to -27.79)" 527 1 527 52 parsed_2mdp 1
107 "107. M 69 Psi -44.00 +/- 11.70 (-55.70 to -32.30)" 532 1 532 52 parsed_2mdp 1
108 "108. C 70 Psi -36.09 +/- 19.65 (-55.75 to -16.44)" 537 1 537 52 parsed_2mdp 1
109 "109. T 71 Psi -40.13 +/- 15.42 (-55.54 to -24.71)" 542 1 542 52 parsed_2mdp 1
110 "110. D 72 Psi -43.76 +/- 10.71 (-54.47 to -33.05)" 547 1 547 52 parsed_2mdp 1
111 "111. W 73 Psi -43.06 +/- 10.06 (-53.12 to -33.00)" 552 1 552 52 parsed_2mdp 1
112 "112. L 74 Psi -38.52 +/- 10.40 (-48.91 to -28.12)" 557 1 557 52 parsed_2mdp 1
113 "113. N 75 Psi -36.21 +/- 15.80 (-52.01 to -20.40)" 562 1 562 52 parsed_2mdp 1
114 "114. H 76 Psi -44.44 +/- 13.37 (-57.81 to -31.06)" 567 1 567 52 parsed_2mdp 1
115 "115. M 77 Psi -37.58 +/- 14.22 (-51.80 to -23.37)" 572 1 572 52 parsed_2mdp 1
116 "116. Y 78 Psi -47.08 +/- 10.33 (-57.42 to -36.75)" 577 1 577 52 parsed_2mdp 1
117 "117. D 79 Psi -37.25 +/- 12.62 (-49.87 to -24.63)" 582 1 582 52 parsed_2mdp 1
118 "118. Q 80 Psi -33.06 +/- 28.94 (-62.00 to -4.13)" 587 1 587 51 parsed_2mdp 1
119 "119. L 81 Psi -33.45 +/- 38.00 (-71.44 to 4.55)" 592 1 592 50 parsed_2mdp 1
120 "120. K 82 Psi -36.29 +/- 22.04 (-58.33 to -14.24)" 597 1 597 52 parsed_2mdp 1
121 "121. D 83 Psi -0.61 +/- 36.59 (-37.20 to 35.98)" 602 1 602 50 parsed_2mdp 1
122 "122. W 84 Psi 117.38 +/- 65.27 (52.11 to 182.64)" 607 1 607 51 parsed_2mdp 1
stop_
save_
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