NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
604361 |
2n1i   |
25562 | cing | 2-parsed | STAR | dihedral angle | 148 |
data_2n1i_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n1i
_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_2n1i 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n1i
_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 2n1i "Master copy" parsed_2n1i
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n1i
_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 2n1i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n1i 1
1 2n1i.mr . . XPLOR/CNS 2 distance NOE ambi 4512 parsed_2n1i 1
1 2n1i.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 148 parsed_2n1i 1
1 2n1i.mr . . unknown 4 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2n1i 1
1 2n1i.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n1i 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2n1i
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.2 -66.4 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2n1i 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.6 147.6 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2n1i 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.2 -78.2 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_2n1i 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.2 170.6 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_2n1i 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.8 -69.4 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_2n1i 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.8 158.0 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_2n1i 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.3 -41.3 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2n1i 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.3 157.3 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2n1i 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.7 -109.7 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_2n1i 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 163.2 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_2n1i 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.7 -32.7 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_2n1i 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.3 177.3 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_2n1i 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.0 -45.0 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_2n1i 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.6 6.2 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_2n1i 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.8 -109.4 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_2n1i 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.9 176.9 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_2n1i 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.8 -110.0 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_2n1i 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.8 174.0 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_2n1i 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.0 -84.6 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_2n1i 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.1 149.1 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_2n1i 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.4 -108.2 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_2n1i 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.0 174.4 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_2n1i 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.8 -41.8 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_2n1i 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.1 154.1 . . 88 . N . 88 . CA . 88 . C . 89 . N parsed_2n1i 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.3 -53.5 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_2n1i 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.2 167.8 . . 90 . N . 90 . CA . 90 . C . 91 . N parsed_2n1i 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.9 -50.9 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_2n1i 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.1 165.9 . . 91 . N . 91 . CA . 91 . C . 92 . N parsed_2n1i 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.1 -37.1 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_2n1i 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.1 155.1 . . 92 . N . 92 . CA . 92 . C . 93 . N parsed_2n1i 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67.4 107.4 . . 92 . C . 93 . N . 93 . CA . 93 . C parsed_2n1i 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.5 18.7 . . 93 . N . 93 . CA . 93 . C . 94 . N parsed_2n1i 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.4 -50.6 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_2n1i 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 157.6 . . 96 . N . 96 . CA . 96 . C . 97 . N parsed_2n1i 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.5 -92.5 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_2n1i 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 147.0 . . 98 . N . 98 . CA . 98 . C . 99 . N parsed_2n1i 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.6 -83.2 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_2n1i 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.5 169.1 . . 99 . N . 99 . CA . 99 . C . 100 . N parsed_2n1i 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.6 -49.6 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_2n1i 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.3 156.3 . . 100 . N . 100 . CA . 100 . C . 101 . N parsed_2n1i 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.5 -59.9 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_2n1i 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.5 15.1 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_2n1i 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.4 -126.0 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_2n1i 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.3 182.3 . . 102 . N . 102 . CA . 102 . C . 103 . N parsed_2n1i 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.2 -49.2 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_2n1i 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.2 158.4 . . 103 . N . 103 . CA . 103 . C . 104 . N parsed_2n1i 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.7 -87.7 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_2n1i 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.6 151.8 . . 104 . N . 104 . CA . 104 . C . 105 . N parsed_2n1i 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.9 -74.1 . . 104 . C . 105 . N . 105 . CA . 105 . C parsed_2n1i 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.0 173.0 . . 105 . N . 105 . CA . 105 . C . 106 . N parsed_2n1i 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.1 -32.1 . . 105 . C . 106 . N . 106 . CA . 106 . C parsed_2n1i 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.4 150.4 . . 106 . N . 106 . CA . 106 . C . 107 . N parsed_2n1i 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.0 116.0 . . 106 . C . 107 . N . 107 . CA . 107 . C parsed_2n1i 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.8 6.2 . . 107 . N . 107 . CA . 107 . C . 108 . N parsed_2n1i 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.6 -45.6 . . 107 . C . 108 . N . 108 . CA . 108 . C parsed_2n1i 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.4 167.4 . . 108 . N . 108 . CA . 108 . C . 109 . N parsed_2n1i 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.4 -100.6 . . 108 . C . 109 . N . 109 . CA . 109 . C parsed_2n1i 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.9 161.5 . . 109 . N . 109 . CA . 109 . C . 110 . N parsed_2n1i 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.5 -88.1 . . 109 . C . 110 . N . 110 . CA . 110 . C parsed_2n1i 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.8 167.4 . . 110 . N . 110 . CA . 110 . C . 111 . N parsed_2n1i 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.9 -47.9 . . 111 . C . 112 . N . 112 . CA . 112 . C parsed_2n1i 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.1 167.1 . . 112 . N . 112 . CA . 112 . C . 113 . N parsed_2n1i 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . . 166 . C . 167 . N . 167 . CA . 167 . C parsed_2n1i 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.1 -16.1 . . 167 . N . 167 . CA . 167 . C . 168 . N parsed_2n1i 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 167 . C . 168 . N . 168 . CA . 168 . C parsed_2n1i 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.6 -17.6 . . 168 . N . 168 . CA . 168 . C . 169 . N parsed_2n1i 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -46.1 . . 168 . C . 169 . N . 169 . CA . 169 . C parsed_2n1i 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.5 -15.5 . . 169 . N . 169 . CA . 169 . C . 170 . N parsed_2n1i 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -49.0 . . 169 . C . 170 . N . 170 . CA . 170 . C parsed_2n1i 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.6 -2.6 . . 170 . N . 170 . CA . 170 . C . 171 . N parsed_2n1i 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.5 -68.5 . . 170 . C . 171 . N . 171 . CA . 171 . C parsed_2n1i 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.7 14.5 . . 171 . N . 171 . CA . 171 . C . 172 . N parsed_2n1i 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -49.0 . . 171 . C . 172 . N . 172 . CA . 172 . C parsed_2n1i 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.6 147.6 . . 172 . N . 172 . CA . 172 . C . 173 . N parsed_2n1i 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.9 -62.9 . . 173 . C . 174 . N . 174 . CA . 174 . C parsed_2n1i 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.6 168.2 . . 174 . N . 174 . CA . 174 . C . 175 . N parsed_2n1i 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.3 -43.7 . . 174 . C . 175 . N . 175 . CA . 175 . C parsed_2n1i 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.9 163.7 . . 175 . N . 175 . CA . 175 . C . 176 . N parsed_2n1i 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.3 -54.3 . . 175 . C . 176 . N . 176 . CA . 176 . C parsed_2n1i 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.5 -3.5 . . 176 . N . 176 . CA . 176 . C . 177 . N parsed_2n1i 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.6 -126.8 . . 176 . C . 177 . N . 177 . CA . 177 . C parsed_2n1i 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.3 180.3 . . 177 . N . 177 . CA . 177 . C . 178 . N parsed_2n1i 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.9 -35.9 . . 177 . C . 178 . N . 178 . CA . 178 . C parsed_2n1i 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.7 4.1 . . 178 . N . 178 . CA . 178 . C . 179 . N parsed_2n1i 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.2 -48.2 . . 178 . C . 179 . N . 179 . CA . 179 . C parsed_2n1i 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.7 3.7 . . 179 . N . 179 . CA . 179 . C . 180 . N parsed_2n1i 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -70.0 . . 179 . C . 180 . N . 180 . CA . 180 . C parsed_2n1i 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.4 14.6 . . 180 . N . 180 . CA . 180 . C . 181 . N parsed_2n1i 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.4 -55.4 . . 180 . C . 181 . N . 181 . CA . 181 . C parsed_2n1i 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.3 157.3 . . 181 . N . 181 . CA . 181 . C . 182 . N parsed_2n1i 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -110.0 . . 182 . C . 183 . N . 183 . CA . 183 . C parsed_2n1i 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.7 159.7 . . 183 . N . 183 . CA . 183 . C . 184 . N parsed_2n1i 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.1 -110.1 . . 183 . C . 184 . N . 184 . CA . 184 . C parsed_2n1i 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.1 162.1 . . 184 . N . 184 . CA . 184 . C . 185 . N parsed_2n1i 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.1 -88.5 . . 184 . C . 185 . N . 185 . CA . 185 . C parsed_2n1i 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.1 150.1 . . 185 . N . 185 . CA . 185 . C . 186 . N parsed_2n1i 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.7 -113.9 . . 185 . C . 186 . N . 186 . CA . 186 . C parsed_2n1i 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.3 172.3 . . 186 . N . 186 . CA . 186 . C . 187 . N parsed_2n1i 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.4 -87.2 . . 186 . C . 187 . N . 187 . CA . 187 . C parsed_2n1i 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.9 145.9 . . 187 . N . 187 . CA . 187 . C . 188 . N parsed_2n1i 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.0 -103.0 . . 187 . C . 188 . N . 188 . CA . 188 . C parsed_2n1i 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.7 142.7 . . 188 . N . 188 . CA . 188 . C . 189 . N parsed_2n1i 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.7 70.7 . . 188 . C . 189 . N . 189 . CA . 189 . C parsed_2n1i 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.9 66.9 . . 189 . N . 189 . CA . 189 . C . 190 . N parsed_2n1i 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.8 85.8 . . 189 . C . 190 . N . 190 . CA . 190 . C parsed_2n1i 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.8 40.8 . . 190 . N . 190 . CA . 190 . C . 191 . N parsed_2n1i 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.7 -104.7 . . 190 . C . 191 . N . 191 . CA . 191 . C parsed_2n1i 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.8 166.8 . . 191 . N . 191 . CA . 191 . C . 192 . N parsed_2n1i 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.4 -82.4 . . 191 . C . 192 . N . 192 . CA . 192 . C parsed_2n1i 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.9 150.9 . . 192 . N . 192 . CA . 192 . C . 193 . N parsed_2n1i 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.8 -98.6 . . 192 . C . 193 . N . 193 . CA . 193 . C parsed_2n1i 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.6 170.4 . . 193 . N . 193 . CA . 193 . C . 194 . N parsed_2n1i 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.7 -101.7 . . 193 . C . 194 . N . 194 . CA . 194 . C parsed_2n1i 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.1 155.1 . . 194 . N . 194 . CA . 194 . C . 195 . N parsed_2n1i 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.7 -99.5 . . 194 . C . 195 . N . 195 . CA . 195 . C parsed_2n1i 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.7 152.7 . . 195 . N . 195 . CA . 195 . C . 196 . N parsed_2n1i 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.9 -58.7 . . 195 . C . 196 . N . 196 . CA . 196 . C parsed_2n1i 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.2 150.2 . . 196 . N . 196 . CA . 196 . C . 197 . N parsed_2n1i 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.9 -55.3 . . 196 . C . 197 . N . 197 . CA . 197 . C parsed_2n1i 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.7 37.5 . . 197 . N . 197 . CA . 197 . C . 198 . N parsed_2n1i 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.8 -129.8 . . 197 . C . 198 . N . 198 . CA . 198 . C parsed_2n1i 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.0 181.0 . . 198 . N . 198 . CA . 198 . C . 199 . N parsed_2n1i 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.5 -43.5 . . 198 . C . 199 . N . 199 . CA . 199 . C parsed_2n1i 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.9 157.9 . . 199 . N . 199 . CA . 199 . C . 200 . N parsed_2n1i 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.8 -69.6 . . 199 . C . 200 . N . 200 . CA . 200 . C parsed_2n1i 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.2 154.2 . . 200 . N . 200 . CA . 200 . C . 201 . N parsed_2n1i 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.4 -56.0 . . 200 . C . 201 . N . 201 . CA . 201 . C parsed_2n1i 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.1 179.5 . . 201 . N . 201 . CA . 201 . C . 202 . N parsed_2n1i 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.5 -37.5 . . 201 . C . 202 . N . 202 . CA . 202 . C parsed_2n1i 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.9 153.9 . . 202 . N . 202 . CA . 202 . C . 203 . N parsed_2n1i 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59.6 121.4 . . 202 . C . 203 . N . 203 . CA . 203 . C parsed_2n1i 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.1 34.7 . . 203 . N . 203 . CA . 203 . C . 204 . N parsed_2n1i 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -45.4 . . 203 . C . 204 . N . 204 . CA . 204 . C parsed_2n1i 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.3 169.1 . . 204 . N . 204 . CA . 204 . C . 205 . N parsed_2n1i 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.2 -58.4 . . 204 . C . 205 . N . 205 . CA . 205 . C parsed_2n1i 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.8 150.4 . . 205 . N . 205 . CA . 205 . C . 206 . N parsed_2n1i 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.3 -68.1 . . 205 . C . 206 . N . 206 . CA . 206 . C parsed_2n1i 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.3 145.3 . . 206 . N . 206 . CA . 206 . C . 207 . N parsed_2n1i 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.0 -102.0 . . 206 . C . 207 . N . 207 . CA . 207 . C parsed_2n1i 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.4 155.4 . . 207 . N . 207 . CA . 207 . C . 208 . N parsed_2n1i 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.6 -101.8 . . 207 . C . 208 . N . 208 . CA . 208 . C parsed_2n1i 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.7 157.7 . . 208 . N . 208 . CA . 208 . C . 209 . N parsed_2n1i 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.7 -51.5 . . 208 . C . 209 . N . 209 . CA . 209 . C parsed_2n1i 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 152.0 . . 209 . N . 209 . CA . 209 . C . 210 . N parsed_2n1i 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.2 -60.6 . . 209 . C . 210 . N . 210 . CA . 210 . C parsed_2n1i 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.7 160.7 . . 210 . N . 210 . CA . 210 . C . 211 . N parsed_2n1i 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.5 -61.7 . . 219 . C . 220 . N . 220 . CA . 220 . C parsed_2n1i 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.6 162.6 . . 220 . N . 220 . CA . 220 . C . 221 . N parsed_2n1i 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 "73 Y -92.344 127.581 12.934 9.556 0.636 0.628 25 18 Strong" 1 1 1 73 parsed_2n1i 1
2 "74 I -108.661 125.438 15.228 22.601 0.630 0.636 25 16 Strong" 7 1 7 73 parsed_2n1i 1
3 "78 I -105.131 127.944 17.833 15.067 0.684 0.695 25 16 Strong" 13 1 13 73 parsed_2n1i 1
4 "79 P -61.279 137.322 8.409 8.334 0.597 0.731 25 16 Strong" 19 1 19 73 parsed_2n1i 1
5 "80 I -129.713 134.622 6.976 14.283 0.718 0.748 25 14 Strong" 25 1 25 73 parsed_2n1i 1
6 "81 P -62.688 147.316 7.783 7.932 0.899 0.764 10 16 Generous" 31 1 31 75 parsed_2n1i 1
7 "82 A -73.473 -17.243 14.258 11.691 1.226 0.813 25 16 Strong" 37 1 37 73 parsed_2n1i 1
8 "84 F -136.149 156.875 13.359 8.882 0.765 0.916 25 18 Strong" 43 1 43 73 parsed_2n1i 1
9 "85 E -137.400 145.931 13.703 14.058 0.718 0.914 25 18 Strong" 49 1 49 73 parsed_2n1i 1
10 "86 L -108.346 129.090 11.840 9.138 0.674 0.890 25 18 Strong" 55 1 55 73 parsed_2n1i 1
11 "87 R -137.758 146.713 14.814 13.863 0.624 0.859 25 18 Strong" 61 1 61 73 parsed_2n1i 1
12 "88 E -61.780 134.148 8.187 7.537 0.800 0.824 25 17 Strong" 67 1 67 73 parsed_2n1i 1
13 "90 S -76.374 137.031 11.455 15.403 0.680 0.768 25 9 Strong" 73 1 73 73 parsed_2n1i 1
14 "91 I -78.370 134.007 13.751 15.960 0.635 0.776 25 8 Strong" 79 1 79 73 parsed_2n1i 1
15 "92 P -57.148 135.111 4.954 6.220 0.469 0.750 25 13 Strong" 85 1 85 73 parsed_2n1i 1
16 "93 G 87.397 -4.895 8.718 11.776 0.456 0.737 25 15 Strong" 91 1 91 73 parsed_2n1i 1
17 "96 L -79.500 137.317 14.467 10.133 1.145 0.788 25 16 Strong" 97 1 97 73 parsed_2n1i 1
18 "98 V -113.032 126.974 10.259 7.139 0.922 0.859 25 16 Strong" 103 1 103 73 parsed_2n1i 1
19 "99 W -112.380 135.298 14.613 16.875 0.857 0.858 25 17 Strong" 109 1 109 73 parsed_2n1i 1
20 "100 A -69.600 136.339 5.653 9.009 0.618 0.866 25 18 Strong" 115 1 115 73 parsed_2n1i 1
21 "101 K -89.232 -9.680 14.648 12.408 0.668 0.874 25 18 Strong" 121 1 121 73 parsed_2n1i 1
22 "102 R -147.714 161.272 10.869 10.483 0.634 0.890 25 18 Strong" 127 1 127 73 parsed_2n1i 1
23 "103 K -81.243 129.783 16.012 14.296 0.617 0.867 25 18 Strong" 133 1 133 73 parsed_2n1i 1
24 "104 M -111.180 130.204 11.761 10.803 0.493 0.854 25 18 Strong" 139 1 139 73 parsed_2n1i 1
25 "105 E -114.018 152.998 19.930 9.167 0.352 0.814 25 18 Strong" 145 1 145 73 parsed_2n1i 1
26 "106 A -52.074 130.359 3.627 5.960 0.307 0.809 25 17 Strong" 151 1 151 73 parsed_2n1i 1
27 "107 G 95.983 -13.812 5.584 5.473 0.233 0.814 25 17 Strong" 157 1 157 73 parsed_2n1i 1
28 "108 E -65.559 147.356 3.954 6.819 0.309 0.852 25 17 Strong" 163 1 163 73 parsed_2n1i 1
29 "109 R -123.012 137.192 11.200 12.146 0.493 0.870 25 18 Strong" 169 1 169 73 parsed_2n1i 1
30 "110 L -119.257 143.119 15.607 12.147 0.764 0.858 25 17 Strong" 175 1 175 73 parsed_2n1i 1
31 "112 P -67.859 147.118 6.678 7.967 0.815 0.707 25 14 Strong" 181 1 181 73 parsed_2n1i 1
32 "167 S -65.965 -36.094 4.691 3.085 0.709 0.698 25 17 Strong" 187 1 187 73 parsed_2n1i 1
33 "168 W -64.982 -37.631 5.072 7.505 0.738 0.783 25 18 Strong" 193 1 193 73 parsed_2n1i 1
34 "169 L -66.072 -35.504 5.345 9.097 0.660 0.851 25 18 Strong" 199 1 199 73 parsed_2n1i 1
35 "170 K -68.973 -22.586 4.438 7.423 0.643 0.839 25 18 Strong" 205 1 205 73 parsed_2n1i 1
36 "171 Y -88.510 -11.054 9.479 12.814 0.816 0.821 25 18 Strong" 211 1 211 73 parsed_2n1i 1
37 "172 I -69.003 127.591 6.107 4.975 0.612 0.790 25 15 Strong" 217 1 217 73 parsed_2n1i 1
38 "174 V -101.386 136.415 19.229 15.907 0.999 0.714 25 15 Strong" 223 1 223 73 parsed_2n1i 1
39 "175 A -84.510 136.309 20.376 13.677 0.920 0.697 25 18 Strong" 229 1 229 73 parsed_2n1i 1
40 "176 C -74.784 -24.034 10.233 10.229 0.649 0.729 25 18 Strong" 235 1 235 73 parsed_2n1i 1
41 "177 S -150.152 160.296 11.675 8.589 0.459 0.780 25 16 Strong" 241 1 241 73 parsed_2n1i 1
42 "178 C -65.890 -28.774 7.583 10.971 0.537 0.823 10 15 Generous" 247 1 247 75 parsed_2n1i 1
43 "179 D -68.237 -16.479 7.283 10.093 0.481 0.831 25 15 Strong" 253 1 253 73 parsed_2n1i 1
44 "180 D -89.951 -5.421 8.192 9.932 0.534 0.764 25 17 Strong" 259 1 259 73 parsed_2n1i 1
45 "181 Q -75.398 137.345 9.881 8.953 0.538 0.759 25 17 Strong" 265 1 265 73 parsed_2n1i 1
46 "183 L -129.964 139.717 8.217 9.608 0.553 0.852 25 16 Strong" 271 1 271 73 parsed_2n1i 1
47 "184 T -130.069 142.124 10.004 8.255 0.492 0.875 25 17 Strong" 277 1 277 73 parsed_2n1i 1
48 "185 M -111.253 130.097 11.412 8.029 0.418 0.886 25 18 Strong" 283 1 283 73 parsed_2n1i 1
49 "186 C -139.768 152.285 12.965 8.580 0.490 0.879 25 18 Strong" 289 1 289 73 parsed_2n1i 1
50 "187 Q -110.842 125.877 11.792 6.483 0.470 0.865 25 18 Strong" 295 1 295 73 parsed_2n1i 1
51 "188 I -129.489 122.701 13.231 6.118 0.476 0.843 25 17 Strong" 301 1 301 73 parsed_2n1i 1
52 "189 S 50.694 46.947 7.082 8.965 0.460 0.841 25 17 Strong" 307 1 307 73 parsed_2n1i 1
53 "190 E 65.794 20.803 5.722 6.566 0.412 0.852 25 17 Strong" 313 1 313 73 parsed_2n1i 1
54 "191 Q -124.737 146.757 8.117 9.546 0.444 0.871 25 18 Strong" 319 1 319 73 parsed_2n1i 1
55 "192 I -105.377 130.884 11.482 7.284 0.417 0.881 25 18 Strong" 325 1 325 73 parsed_2n1i 1
56 "193 Y -122.688 145.457 12.053 12.437 0.398 0.892 25 18 Strong" 331 1 331 73 parsed_2n1i 1
57 "194 Y -121.667 135.090 8.448 8.852 0.383 0.908 25 18 Strong" 337 1 337 73 parsed_2n1i 1
58 "195 K -123.053 132.652 11.798 5.861 0.432 0.906 25 18 Strong" 343 1 343 73 parsed_2n1i 1
59 "196 V -78.837 130.176 10.069 8.414 0.518 0.902 25 18 Strong" 349 1 349 73 parsed_2n1i 1
60 "197 I -93.554 -10.066 12.776 15.854 0.731 0.887 10 18 Generous" 355 1 355 75 parsed_2n1i 1
61 "198 K -149.792 160.958 9.672 9.988 0.829 0.874 25 18 Strong" 361 1 361 73 parsed_2n1i 1
62 "199 D -63.493 133.441 6.815 12.228 0.740 0.810 25 18 Strong" 367 1 367 73 parsed_2n1i 1
63 "200 I -109.201 128.703 19.788 12.759 0.789 0.722 25 18 Strong" 373 1 373 73 parsed_2n1i 1
64 "201 E -90.748 149.283 17.358 15.089 0.772 0.639 25 16 Strong" 379 1 379 73 parsed_2n1i 1
65 "202 P -57.473 133.944 5.973 8.912 0.609 0.636 25 15 Strong" 385 1 385 73 parsed_2n1i 1
66 "203 G 90.480 -6.711 10.284 13.809 0.666 0.681 10 15 Generous" 391 1 391 75 parsed_2n1i 1
67 "204 E -95.208 146.748 24.924 11.212 0.752 0.772 25 17 Strong" 397 1 397 73 parsed_2n1i 1
68 "205 E -82.774 123.611 12.190 13.382 0.744 0.835 25 17 Strong" 403 1 403 73 parsed_2n1i 1
69 "206 L -95.204 125.266 13.561 7.376 0.770 0.876 25 16 Strong" 409 1 409 73 parsed_2n1i 1
70 "207 L -121.950 135.444 8.530 9.794 0.708 0.890 25 14 Strong" 415 1 415 73 parsed_2n1i 1
71 "208 V -126.743 134.202 12.473 11.746 0.638 0.851 25 14 Strong" 421 1 421 73 parsed_2n1i 1
72 "209 H -92.625 131.973 20.557 9.944 0.711 0.754 25 14 Strong" 427 1 427 73 parsed_2n1i 1
73 "210 V -102.445 128.216 20.921 16.270 0.714 0.626 25 16 Strong" 433 1 433 73 parsed_2n1i 1
74 "220 V -95.052 131.058 16.682 15.733 0.567 0.629 25 15 Strong" 439 1 439 73 parsed_2n1i 1
stop_
save_
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