NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
53529 |
2rn8   |
11018 | cing | 2-parsed | STAR | dihedral angle | 88 |
data_2rn8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rn8
_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_2rn8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rn8
_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 2rn8 "Master copy" parsed_2rn8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rn8
_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 2rn8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rn8 1
1 2rn8.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 88 parsed_2rn8 1
1 2rn8.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_2rn8 1
1 2rn8.mr . . XPLOR/CNS 4 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2rn8 1
1 2rn8.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2rn8 1
1 2rn8.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2rn8 1
1 2rn8.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rn8 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2rn8
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 173 . CA . 173 . C . 174 . N . 174 . CA parsed_2rn8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 174 . CA . 174 . C . 175 . N . 175 . CA parsed_2rn8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 175 . CA . 175 . C . 176 . N . 176 . CA parsed_2rn8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 176 . CA . 176 . C . 177 . N . 177 . CA parsed_2rn8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 177 . CA . 177 . C . 178 . N . 178 . CA parsed_2rn8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 178 . CA . 178 . C . 179 . N . 179 . CA parsed_2rn8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 179 . CA . 179 . C . 180 . N . 180 . CA parsed_2rn8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 180 . CA . 180 . C . 181 . N . 181 . CA parsed_2rn8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 181 . CA . 181 . C . 182 . N . 182 . CA parsed_2rn8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 182 . CA . 182 . C . 183 . N . 183 . CA parsed_2rn8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 183 . CA . 183 . C . 184 . N . 184 . CA parsed_2rn8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 184 . CA . 184 . C . 185 . N . 185 . CA parsed_2rn8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 185 . CA . 185 . C . 186 . N . 186 . CA parsed_2rn8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 186 . CA . 186 . C . 187 . N . 187 . CA parsed_2rn8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 187 . CA . 187 . C . 188 . N . 188 . CA parsed_2rn8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 188 . CA . 188 . C . 189 . N . 189 . CA parsed_2rn8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 189 . CA . 189 . C . 190 . N . 190 . CA parsed_2rn8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 190 . CA . 190 . C . 191 . N . 191 . CA parsed_2rn8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 191 . CA . 191 . C . 192 . N . 192 . CA parsed_2rn8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 192 . CA . 192 . C . 193 . N . 193 . CA parsed_2rn8 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 193 . CA . 193 . C . 194 . N . 194 . CA parsed_2rn8 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 194 . CA . 194 . C . 195 . N . 195 . CA parsed_2rn8 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 195 . CA . 195 . C . 196 . N . 196 . CA parsed_2rn8 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 196 . CA . 196 . C . 197 . N . 197 . CA parsed_2rn8 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 197 . CA . 197 . C . 198 . N . 198 . CA parsed_2rn8 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 198 . CA . 198 . C . 199 . N . 199 . CA parsed_2rn8 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 199 . CA . 199 . C . 200 . N . 200 . CA parsed_2rn8 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 200 . CA . 200 . C . 201 . N . 201 . CA parsed_2rn8 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 201 . CA . 201 . C . 202 . N . 202 . CA parsed_2rn8 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 202 . CA . 202 . C . 203 . N . 203 . CA parsed_2rn8 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 203 . CA . 203 . C . 204 . N . 204 . CA parsed_2rn8 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 204 . CA . 204 . C . 205 . N . 205 . CA parsed_2rn8 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 205 . CA . 205 . C . 206 . N . 206 . CA parsed_2rn8 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 206 . CA . 206 . C . 207 . N . 207 . CA parsed_2rn8 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 207 . CA . 207 . C . 208 . N . 208 . CA parsed_2rn8 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 208 . CA . 208 . C . 209 . N . 209 . CA parsed_2rn8 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 209 . CA . 209 . C . 210 . N . 210 . CA parsed_2rn8 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 210 . CA . 210 . C . 211 . N . 211 . CA parsed_2rn8 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 211 . CA . 211 . C . 212 . N . 212 . CA parsed_2rn8 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 212 . CA . 212 . C . 213 . N . 213 . CA parsed_2rn8 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 213 . CA . 213 . C . 214 . N . 214 . CA parsed_2rn8 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 214 . CA . 214 . C . 215 . N . 215 . CA parsed_2rn8 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 215 . CA . 215 . C . 216 . N . 216 . CA parsed_2rn8 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 216 . CA . 216 . C . 217 . N . 217 . CA parsed_2rn8 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 217 . CA . 217 . C . 218 . N . 218 . CA parsed_2rn8 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 218 . CA . 218 . C . 219 . N . 219 . CA parsed_2rn8 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 219 . CA . 219 . C . 220 . N . 220 . CA parsed_2rn8 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 220 . CA . 220 . C . 221 . N . 221 . CA parsed_2rn8 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 221 . CA . 221 . C . 222 . N . 222 . CA parsed_2rn8 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 222 . CA . 222 . C . 223 . N . 223 . CA parsed_2rn8 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 223 . CA . 223 . C . 224 . N . 224 . CA parsed_2rn8 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 224 . CA . 224 . C . 225 . N . 225 . CA parsed_2rn8 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 225 . CA . 225 . C . 226 . N . 226 . CA parsed_2rn8 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 226 . CA . 226 . C . 227 . N . 227 . CA parsed_2rn8 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 227 . CA . 227 . C . 228 . N . 228 . CA parsed_2rn8 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 190.00 . . 228 . CA . 228 . C . 229 . N . 229 . CA parsed_2rn8 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.69 -90.71 . . 176 . C . 177 . N . 177 . CA . 177 . C parsed_2rn8 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.06 -78.08 . . 181 . C . 182 . N . 182 . CA . 182 . C parsed_2rn8 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.65 -63.67 . . 202 . C . 203 . N . 203 . CA . 203 . C parsed_2rn8 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.04 -49.06 . . 216 . C . 217 . N . 217 . CA . 217 . C parsed_2rn8 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.59 -47.61 . . 219 . C . 220 . N . 220 . CA . 220 . C parsed_2rn8 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.11 -43.69 . . 221 . C . 222 . N . 222 . CA . 222 . C parsed_2rn8 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.96 -49.96 . . 222 . C . 223 . N . 223 . CA . 223 . C parsed_2rn8 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.17 -33.19 . . 223 . C . 224 . N . 224 . CA . 224 . C parsed_2rn8 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.00 158.92 . . 175 . N . 175 . CA . 175 . C . 176 . N parsed_2rn8 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.37 159.29 . . 177 . N . 177 . CA . 177 . C . 178 . N parsed_2rn8 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.44 150.36 . . 178 . N . 178 . CA . 178 . C . 179 . N parsed_2rn8 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.36 184.28 . . 180 . N . 180 . CA . 180 . C . 181 . N parsed_2rn8 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.33 160.21 . . 181 . N . 181 . CA . 181 . C . 182 . N parsed_2rn8 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.39 163.27 . . 182 . N . 182 . CA . 182 . C . 183 . N parsed_2rn8 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.75 164.63 . . 192 . N . 192 . CA . 192 . C . 193 . N parsed_2rn8 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.09 144.01 . . 193 . N . 193 . CA . 193 . C . 194 . N parsed_2rn8 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.61 -30.65 . . 206 . N . 206 . CA . 206 . C . 207 . N parsed_2rn8 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.69 146.61 . . 209 . N . 209 . CA . 209 . C . 210 . N parsed_2rn8 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.43 153.35 . . 210 . N . 210 . CA . 210 . C . 211 . N parsed_2rn8 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.24 167.16 . . 211 . N . 211 . CA . 211 . C . 212 . N parsed_2rn8 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.60 161.52 . . 212 . N . 212 . CA . 212 . C . 213 . N parsed_2rn8 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.10 200.98 . . 213 . N . 213 . CA . 213 . C . 214 . N parsed_2rn8 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.21 161.09 . . 217 . N . 217 . CA . 217 . C . 218 . N parsed_2rn8 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.23 166.11 . . 220 . N . 220 . CA . 220 . C . 221 . N parsed_2rn8 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.61 153.81 . . 221 . N . 221 . CA . 221 . C . 222 . N parsed_2rn8 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.62 163.90 . . 222 . N . 222 . CA . 222 . C . 223 . N parsed_2rn8 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.70 -15.74 . . 223 . N . 223 . CA . 223 . C . 224 . N parsed_2rn8 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.40 -9.52 . . 224 . N . 224 . CA . 224 . C . 225 . N parsed_2rn8 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.21 37.67 . . 225 . N . 225 . CA . 225 . C . 226 . N parsed_2rn8 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.73 207.61 . . 226 . N . 226 . CA . 226 . C . 227 . N parsed_2rn8 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.21 156.09 . . 227 . N . 227 . CA . 227 . C . 228 . N parsed_2rn8 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.37 159.29 . . 228 . N . 228 . CA . 228 . C . 229 . N parsed_2rn8 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
;
! { Dihedral Angle Restraints }
!omega CA(i)-C(i)-N(i+1)-CA(i+1)
G169
assign
(resid 169 and name CA )
(resid 169 and name C )
(resid 170 and name N )
(resid 170 and name CA ) 1 180.00 10.00 2
S170
assign
(resid 170 and name CA )
(resid 170 and name C )
(resid 171 and name N )
(resid 171 and name CA ) 1 180.00 10.00 2
P171
assign
(resid 171 and name CA )
(resid 171 and name C )
(resid 172 and name N )
(resid 172 and name CA ) 1 180.00 10.00 2
E172
assign
(resid 172 and name CA )
(resid 172 and name C )
(resid 173 and name N )
(resid 173 and name CA ) 1 180.00 10.00 2
E173
;
1 1 32 8 parsed_2rn8 1
2 T174 39 1 39 8 parsed_2rn8 1
3 L175 46 1 46 8 parsed_2rn8 1
4 V176 53 1 53 8 parsed_2rn8 1
5 I177 60 1 60 8 parsed_2rn8 1
6 A178 67 1 67 8 parsed_2rn8 1
7 L179 74 1 74 8 parsed_2rn8 1
8 Y180 81 1 81 8 parsed_2rn8 1
9 D181 88 1 88 8 parsed_2rn8 1
10 Y182 95 1 95 8 parsed_2rn8 1
11 Q183 102 1 102 8 parsed_2rn8 1
12 T184 109 1 109 8 parsed_2rn8 1
13 N185 116 1 116 8 parsed_2rn8 1
14 D186 123 1 123 8 parsed_2rn8 1
15 P187 130 1 130 8 parsed_2rn8 1
16 Q188 137 1 137 8 parsed_2rn8 1
17 E189 144 1 144 8 parsed_2rn8 1
18 L190 151 1 151 8 parsed_2rn8 1
19 A191 158 1 158 8 parsed_2rn8 1
20 L192 165 1 165 8 parsed_2rn8 1
21 R193 172 1 172 8 parsed_2rn8 1
22 C194 179 1 179 8 parsed_2rn8 1
23 D195 186 1 186 8 parsed_2rn8 1
24 E196 193 1 193 8 parsed_2rn8 1
25 E197 200 1 200 8 parsed_2rn8 1
26 Y198 207 1 207 8 parsed_2rn8 1
27 Y199 214 1 214 8 parsed_2rn8 1
28 L200 221 1 221 8 parsed_2rn8 1
29 L201 228 1 228 8 parsed_2rn8 1
30 D202 235 1 235 8 parsed_2rn8 1
31 S203 242 1 242 8 parsed_2rn8 1
32 S204 249 1 249 8 parsed_2rn8 1
33 E205 256 1 256 8 parsed_2rn8 1
34 I206 263 1 263 8 parsed_2rn8 1
35 H207 270 1 270 8 parsed_2rn8 1
36 W208 277 1 277 8 parsed_2rn8 1
37 W209 284 1 284 8 parsed_2rn8 1
38 R210 291 1 291 8 parsed_2rn8 1
39 V211 298 1 298 8 parsed_2rn8 1
40 Q212 305 1 305 8 parsed_2rn8 1
41 D213 312 1 312 8 parsed_2rn8 1
42 K214 319 1 319 8 parsed_2rn8 1
43 N215 326 1 326 8 parsed_2rn8 1
44 G216 333 1 333 8 parsed_2rn8 1
45 H217 340 1 340 8 parsed_2rn8 1
46 E218 347 1 347 8 parsed_2rn8 1
47 G219 354 1 354 8 parsed_2rn8 1
48 Y220 361 1 361 8 parsed_2rn8 1
49 A221 368 1 368 8 parsed_2rn8 1
50 P222 375 1 375 8 parsed_2rn8 1
51 S223 382 1 382 8 parsed_2rn8 1
52 S224 389 1 389 8 parsed_2rn8 1
53 Y225 396 1 396 8 parsed_2rn8 1
54 L226 403 1 403 8 parsed_2rn8 1
55 V227 410 1 410 8 parsed_2rn8 1
56 E228 417 1 417 8 parsed_2rn8 1
57
;
K229
assign
(resid 229 and name CA )
(resid 229 and name C )
(resid 230 and name N )
(resid 230 and name CA ) 1 180.00 10.00 2
S230
assign
(resid 230 and name CA )
(resid 230 and name C )
(resid 231 and name N )
(resid 231 and name CA ) 1 180.00 10.00 2
P231
assign
(resid 231 and name CA )
(resid 231 and name C )
(resid 232 and name N )
(resid 232 and name CA ) 1 180.00 10.00 2
! { Dihedral Angle Restraints }
!phi C(i-1)-N(i)-CA(i)-C(i)
E172
assign
(resid 171 and name C )
(resid 172 and name N )
(resid 172 and name CA )
(resid 172 and name C ) 1 -74.33 29.99 2
E173
L175
V176
I177
;
424 1 465 8 parsed_2rn8 1
58
;
D181
Y182
;
472 1 475 8 parsed_2rn8 1
59
;
L192
R193
S203
;
483 1 489 8 parsed_2rn8 1
60
;
S204
I206
W209
Q212
D213
H217
;
496 1 511 8 parsed_2rn8 1
61
;
E218
Y220
;
518 1 520 8 parsed_2rn8 1
62 P222 527 1 527 8 parsed_2rn8 1
63 S223 534 1 534 8 parsed_2rn8 1
64 S224 541 1 541 8 parsed_2rn8 1
65
;
Y225
L226
V227
E228
K229
! { Dihedral Angle Restraints }
!psi N(i)-CA(i)-C(i)-N(i+1)
E172
assign
(resid 172 and name N )
(resid 172 and name CA )
(resid 172 and name C )
(resid 173 and name N ) 1 -26.01 31.94 2
L175
;
548 1 574 8 parsed_2rn8 1
66 I177 581 1 581 8 parsed_2rn8 1
67 A178 588 1 588 8 parsed_2rn8 1
68 Y180 595 1 595 8 parsed_2rn8 1
69 D181 602 1 602 8 parsed_2rn8 1
70 Y182 609 1 609 8 parsed_2rn8 1
71 L192 616 1 616 8 parsed_2rn8 1
72 R193 623 1 623 8 parsed_2rn8 1
73 I206 630 1 630 8 parsed_2rn8 1
74 W209 637 1 637 8 parsed_2rn8 1
75 R210 644 1 644 8 parsed_2rn8 1
76 V211 651 1 651 8 parsed_2rn8 1
77 Q212 658 1 658 8 parsed_2rn8 1
78 D213 665 1 665 8 parsed_2rn8 1
79 H217 672 1 672 8 parsed_2rn8 1
80 Y220 679 1 679 8 parsed_2rn8 1
81 A221 686 1 686 8 parsed_2rn8 1
82 P222 693 1 693 8 parsed_2rn8 1
83 S223 700 1 700 8 parsed_2rn8 1
84 S224 707 1 707 8 parsed_2rn8 1
85 Y225 714 1 714 8 parsed_2rn8 1
86 L226 721 1 721 8 parsed_2rn8 1
87 V227 728 1 728 8 parsed_2rn8 1
88 E228 735 1 735 8 parsed_2rn8 1
stop_
save_
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