NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
603841 |
5irt   |
30035 | cing | 2-parsed | STAR | dihedral angle | 50 |
data_5irt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5irt
_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_5irt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5irt
_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 5irt "Master copy" parsed_5irt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5irt
_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 5irt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5irt 1
1 5irt.mr . . XPLOR/CNS 2 distance NOE ambi 24 parsed_5irt 1
1 5irt.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 50 parsed_5irt 1
1 5irt.mr . . unknown 4 unknown "Not applicable" "Not applicable" 0 parsed_5irt 1
1 5irt.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5irt 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5irt
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.57 -39.91 . A 175 . C A 176 . N A 176 . CA A 176 . C parsed_5irt 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.53 -67.19 . A 176 . C A 177 . N A 177 . CA A 177 . C parsed_5irt 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.91 -51.87 . A 182 . C A 183 . N A 183 . CA A 183 . C parsed_5irt 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.93 -49.11 . A 183 . C A 184 . N A 184 . CA A 184 . C parsed_5irt 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.74 -56.54 . A 184 . C A 185 . N A 185 . CA A 185 . C parsed_5irt 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.40 -51.70 . A 185 . C A 186 . N A 186 . CA A 186 . C parsed_5irt 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.26 -47.14 . A 186 . C A 187 . N A 187 . CA A 187 . C parsed_5irt 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.74 -37.76 . A 187 . C A 188 . N A 188 . CA A 188 . C parsed_5irt 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.29 -40.97 . A 188 . C A 189 . N A 189 . CA A 189 . C parsed_5irt 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.89 -50.37 . A 189 . C A 190 . N A 190 . CA A 190 . C parsed_5irt 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.98 -56.22 . A 190 . C A 191 . N A 191 . CA A 191 . C parsed_5irt 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.53 -39.23 . A 191 . C A 192 . N A 192 . CA A 192 . C parsed_5irt 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.71 -76.91 . A 192 . C A 193 . N A 193 . CA A 193 . C parsed_5irt 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.23 0.63 . A 176 . N A 176 . CA A 176 . C A 177 . N parsed_5irt 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.61 21.77 . A 177 . N A 177 . CA A 177 . C A 178 . N parsed_5irt 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.18 -32.44 . A 183 . N A 183 . CA A 183 . C A 184 . N parsed_5irt 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.73 -33.91 . A 184 . N A 184 . CA A 184 . C A 185 . N parsed_5irt 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.19 -26.47 . A 185 . N A 185 . CA A 185 . C A 186 . N parsed_5irt 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.06 -24.06 . A 186 . N A 186 . CA A 186 . C A 187 . N parsed_5irt 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.59 -18.55 . A 187 . N A 187 . CA A 187 . C A 188 . N parsed_5irt 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.80 1.14 . A 188 . N A 188 . CA A 188 . C A 189 . N parsed_5irt 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.56 -28.66 . A 189 . N A 189 . CA A 189 . C A 190 . N parsed_5irt 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.54 -42.00 . A 190 . N A 190 . CA A 190 . C A 191 . N parsed_5irt 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.65 -23.45 . A 191 . N A 191 . CA A 191 . C A 192 . N parsed_5irt 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.29 -10.97 . A 192 . N A 192 . CA A 192 . C A 193 . N parsed_5irt 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.57 -39.91 . B 175 . C B 176 . N B 176 . CA B 176 . C parsed_5irt 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.53 -67.19 . B 176 . C B 177 . N B 177 . CA B 177 . C parsed_5irt 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.91 -51.87 . B 182 . C B 183 . N B 183 . CA B 183 . C parsed_5irt 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.93 -49.11 . B 183 . C B 184 . N B 184 . CA B 184 . C parsed_5irt 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.74 -56.54 . B 184 . C B 185 . N B 185 . CA B 185 . C parsed_5irt 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.40 -51.70 . B 185 . C B 186 . N B 186 . CA B 186 . C parsed_5irt 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.26 -47.14 . B 186 . C B 187 . N B 187 . CA B 187 . C parsed_5irt 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.74 -37.76 . B 187 . C B 188 . N B 188 . CA B 188 . C parsed_5irt 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.29 -40.97 . B 188 . C B 189 . N B 189 . CA B 189 . C parsed_5irt 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.89 -50.37 . B 189 . C B 190 . N B 190 . CA B 190 . C parsed_5irt 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.98 -56.22 . B 190 . C B 191 . N B 191 . CA B 191 . C parsed_5irt 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.53 -39.23 . B 191 . C B 192 . N B 192 . CA B 192 . C parsed_5irt 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.71 -76.91 . B 192 . C B 193 . N B 193 . CA B 193 . C parsed_5irt 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.23 0.63 . B 176 . N B 176 . CA B 176 . C B 177 . N parsed_5irt 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.61 21.77 . B 177 . N B 177 . CA B 177 . C B 178 . N parsed_5irt 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.18 -32.44 . B 183 . N B 183 . CA B 183 . C B 184 . N parsed_5irt 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.73 -33.91 . B 184 . N B 184 . CA B 184 . C B 185 . N parsed_5irt 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.19 -26.47 . B 185 . N B 185 . CA B 185 . C B 186 . N parsed_5irt 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.06 -24.06 . B 186 . N B 186 . CA B 186 . C B 187 . N parsed_5irt 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.59 -18.55 . B 187 . N B 187 . CA B 187 . C B 188 . N parsed_5irt 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.80 1.14 . B 188 . N B 188 . CA B 188 . C B 189 . N parsed_5irt 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.56 -28.66 . B 189 . N B 189 . CA B 189 . C B 190 . N parsed_5irt 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.54 -42.00 . B 190 . N B 190 . CA B 190 . C B 191 . N parsed_5irt 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.65 -23.45 . B 191 . N B 191 . CA B 191 . C B 192 . N parsed_5irt 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.29 -10.97 . B 192 . N B 192 . CA B 192 . C B 193 . N parsed_5irt 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 "124. Q 176 Phi -64.24 +/- 24.33 (-88.56 to -39.91)" 3 1 3 53 parsed_5irt 1
2 "125. A 177 Phi -94.86 +/- 27.67 (-122.52 to -67.19)" 8 1 8 54 parsed_5irt 1
3 "126. N 183 Phi -60.39 +/- 8.52 (-68.91 to -51.87)" 13 1 13 52 parsed_5irt 1
4 "127. W 184 Phi -61.02 +/- 11.91 (-72.93 to -49.12)" 18 1 18 53 parsed_5irt 1
5 "128. M 185 Phi -62.14 +/- 5.60 (-67.75 to -56.54)" 23 1 23 52 parsed_5irt 1
6 "129. T 186 Phi -69.55 +/- 17.85 (-87.40 to -51.70)" 28 1 28 53 parsed_5irt 1
7 "130. E 187 Phi -64.20 +/- 17.06 (-81.25 to -47.14)" 33 1 33 53 parsed_5irt 1
8 "131. T 188 Phi -68.75 +/- 30.99 (-99.73 to -37.76)" 38 1 38 53 parsed_5irt 1
9 "132. L 189 Phi -66.13 +/- 25.16 (-91.28 to -40.97)" 43 1 43 53 parsed_5irt 1
10 "133. L 190 Phi -61.63 +/- 11.26 (-72.89 to -50.37)" 48 1 48 53 parsed_5irt 1
11 "134. V 191 Phi -64.60 +/- 8.38 (-72.98 to -56.21)" 53 1 53 52 parsed_5irt 1
12 "135. Q 192 Phi -72.88 +/- 33.65 (-106.53 to -39.23)" 58 1 58 54 parsed_5irt 1
13 "136. N 193 Phi -100.81 +/- 23.90 (-124.71 to -76.91)" 63 1 63 55 parsed_5irt 1
14 "282. Q 176 Psi -30.30 +/- 30.93 (-61.23 to 0.63)" 69 1 69 51 parsed_5irt 1
15 "283. A 177 Psi -1.92 +/- 23.69 (-25.61 to 21.77)" 74 1 74 51 parsed_5irt 1
16 "284. N 183 Psi -40.31 +/- 7.87 (-48.19 to -32.44)" 79 1 79 52 parsed_5irt 1
17 "285. W 184 Psi -44.82 +/- 10.91 (-55.73 to -33.91)" 84 1 84 53 parsed_5irt 1
18 "286. M 185 Psi -39.83 +/- 13.36 (-53.20 to -26.47)" 89 1 89 53 parsed_5irt 1
19 "287. T 186 Psi -41.56 +/- 17.50 (-59.05 to -24.06)" 94 1 94 53 parsed_5irt 1
20 "288. E 187 Psi -38.57 +/- 20.02 (-58.59 to -18.55)" 99 1 99 53 parsed_5irt 1
21 "289. T 188 Psi -33.33 +/- 34.47 (-67.80 to 1.14)" 104 1 104 51 parsed_5irt 1
22 "290. L 189 Psi -43.11 +/- 14.45 (-57.56 to -28.66)" 109 1 109 53 parsed_5irt 1
23 "291. L 190 Psi -49.77 +/- 7.77 (-57.54 to -42.01)" 114 1 114 52 parsed_5irt 1
24 "292. V 191 Psi -37.55 +/- 14.10 (-51.65 to -23.45)" 119 1 119 53 parsed_5irt 1
25 "293. Q 192 Psi -30.13 +/- 19.16 (-49.29 to -10.97)" 124 1 124 53 parsed_5irt 1
26 "124. Q 176 Phi -64.24 +/- 24.33 (-88.56 to -39.91)" 133 1 133 53 parsed_5irt 1
27 "125. A 177 Phi -94.86 +/- 27.67 (-122.52 to -67.19)" 138 1 138 54 parsed_5irt 1
28 "126. N 183 Phi -60.39 +/- 8.52 (-68.91 to -51.87)" 143 1 143 52 parsed_5irt 1
29 "127. W 184 Phi -61.02 +/- 11.91 (-72.93 to -49.12)" 148 1 148 53 parsed_5irt 1
30 "128. M 185 Phi -62.14 +/- 5.60 (-67.75 to -56.54)" 153 1 153 52 parsed_5irt 1
31 "129. T 186 Phi -69.55 +/- 17.85 (-87.40 to -51.70)" 158 1 158 53 parsed_5irt 1
32 "130. E 187 Phi -64.20 +/- 17.06 (-81.25 to -47.14)" 163 1 163 53 parsed_5irt 1
33 "131. T 188 Phi -68.75 +/- 30.99 (-99.73 to -37.76)" 168 1 168 53 parsed_5irt 1
34 "132. L 189 Phi -66.13 +/- 25.16 (-91.28 to -40.97)" 173 1 173 53 parsed_5irt 1
35 "133. L 190 Phi -61.63 +/- 11.26 (-72.89 to -50.37)" 178 1 178 53 parsed_5irt 1
36 "134. V 191 Phi -64.60 +/- 8.38 (-72.98 to -56.21)" 183 1 183 52 parsed_5irt 1
37 "135. Q 192 Phi -72.88 +/- 33.65 (-106.53 to -39.23)" 188 1 188 54 parsed_5irt 1
38 "136. N 193 Phi -100.81 +/- 23.90 (-124.71 to -76.91)" 193 1 193 55 parsed_5irt 1
39 "282. Q 176 Psi -30.30 +/- 30.93 (-61.23 to 0.63)" 199 1 199 51 parsed_5irt 1
40 "283. A 177 Psi -1.92 +/- 23.69 (-25.61 to 21.77)" 204 1 204 51 parsed_5irt 1
41 "284. N 183 Psi -40.31 +/- 7.87 (-48.19 to -32.44)" 209 1 209 52 parsed_5irt 1
42 "285. W 184 Psi -44.82 +/- 10.91 (-55.73 to -33.91)" 214 1 214 53 parsed_5irt 1
43 "286. M 185 Psi -39.83 +/- 13.36 (-53.20 to -26.47)" 219 1 219 53 parsed_5irt 1
44 "287. T 186 Psi -41.56 +/- 17.50 (-59.05 to -24.06)" 224 1 224 53 parsed_5irt 1
45 "288. E 187 Psi -38.57 +/- 20.02 (-58.59 to -18.55)" 229 1 229 53 parsed_5irt 1
46 "289. T 188 Psi -33.33 +/- 34.47 (-67.80 to 1.14)" 234 1 234 51 parsed_5irt 1
47 "290. L 189 Psi -43.11 +/- 14.45 (-57.56 to -28.66)" 239 1 239 53 parsed_5irt 1
48 "291. L 190 Psi -49.77 +/- 7.77 (-57.54 to -42.01)" 244 1 244 52 parsed_5irt 1
49 "292. V 191 Psi -37.55 +/- 14.10 (-51.65 to -23.45)" 249 1 249 53 parsed_5irt 1
50 "293. Q 192 Psi -30.13 +/- 19.16 (-49.29 to -10.97)" 254 1 254 53 parsed_5irt 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 2: talos_175to193.tbl" 1 1 1 39 parsed_5irt 1
stop_
save_
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