NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
53655 |
2roc   |
cing | 2-parsed | STAR | dihedral angle | 51 |
data_2roc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2roc
_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_2roc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2roc
_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 2roc "Master copy" parsed_2roc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2roc
_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 2roc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2roc 1
1 2roc.mr . . XPLOR/CNS 2 distance NOE simple 2202 parsed_2roc 1
1 2roc.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 294 parsed_2roc 1
1 2roc.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 152 parsed_2roc 1
1 2roc.mr . . XPLOR/CNS 5 distance NOE simple 496 parsed_2roc 1
1 2roc.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 51 parsed_2roc 1
1 2roc.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 0 parsed_2roc 1
1 2roc.mr . . XPLOR/CNS 8 distance NOE simple 0 parsed_2roc 1
1 2roc.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2roc 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2roc
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.40 -45.20 . " B" 130 . C " B" 131 . N " B" 131 . CA " B" 131 . C parsed_2roc 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.10 67.90 . " B" 131 . N " B" 131 . CA " B" 131 . C " B" 132 . N parsed_2roc 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.10 -39.90 . " B" 131 . C " B" 132 . N " B" 132 . CA " B" 132 . C parsed_2roc 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.90 -14.50 . " B" 132 . N " B" 132 . CA " B" 132 . C " B" 133 . N parsed_2roc 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.70 -53.30 . " B" 132 . C " B" 133 . N " B" 133 . CA " B" 133 . C parsed_2roc 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.60 -29.80 . " B" 133 . N " B" 133 . CA " B" 133 . C " B" 134 . N parsed_2roc 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.90 -50.60 . " B" 133 . C " B" 134 . N " B" 134 . CA " B" 134 . C parsed_2roc 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.40 -23.80 . " B" 134 . N " B" 134 . CA " B" 134 . C " B" 135 . N parsed_2roc 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.50 -55.50 . " B" 134 . C " B" 135 . N " B" 135 . CA " B" 135 . C parsed_2roc 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.00 -24.50 . " B" 135 . N " B" 135 . CA " B" 135 . C " B" 136 . N parsed_2roc 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.60 -52.60 . " B" 135 . C " B" 136 . N " B" 136 . CA " B" 136 . C parsed_2roc 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 -32.00 . " B" 136 . N " B" 136 . CA " B" 136 . C " B" 137 . N parsed_2roc 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.80 -54.30 . " B" 136 . C " B" 137 . N " B" 137 . CA " B" 137 . C parsed_2roc 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.30 -31.00 . " B" 137 . N " B" 137 . CA " B" 137 . C " B" 138 . N parsed_2roc 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.30 -55.30 . " B" 137 . C " B" 138 . N " B" 138 . CA " B" 138 . C parsed_2roc 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.60 -27.50 . " B" 138 . N " B" 138 . CA " B" 138 . C " B" 139 . N parsed_2roc 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.20 -56.20 . " B" 138 . C " B" 139 . N " B" 139 . CA " B" 139 . C parsed_2roc 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -31.00 . " B" 139 . N " B" 139 . CA " B" 139 . C " B" 140 . N parsed_2roc 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.70 -51.90 . " B" 139 . C " B" 140 . N " B" 140 . CA " B" 140 . C parsed_2roc 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.40 -33.40 . " B" 140 . N " B" 140 . CA " B" 140 . C " B" 141 . N parsed_2roc 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.30 -54.30 . " B" 140 . C " B" 141 . N " B" 141 . CA " B" 141 . C parsed_2roc 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.90 -23.40 . " B" 141 . N " B" 141 . CA " B" 141 . C " B" 142 . N parsed_2roc 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.40 -49.40 . " B" 141 . C " B" 142 . N " B" 142 . CA " B" 142 . C parsed_2roc 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.50 -36.50 . " B" 142 . N " B" 142 . CA " B" 142 . C " B" 143 . N parsed_2roc 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.70 -50.00 . " B" 142 . C " B" 143 . N " B" 143 . CA " B" 143 . C parsed_2roc 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.40 -28.50 . " B" 143 . N " B" 143 . CA " B" 143 . C " B" 144 . N parsed_2roc 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.70 -50.50 . " B" 143 . C " B" 144 . N " B" 144 . CA " B" 144 . C parsed_2roc 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.50 -28.40 . " B" 144 . N " B" 144 . CA " B" 144 . C " B" 145 . N parsed_2roc 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.70 -51.70 . " B" 144 . C " B" 145 . N " B" 145 . CA " B" 145 . C parsed_2roc 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.10 -20.80 . " B" 145 . N " B" 145 . CA " B" 145 . C " B" 146 . N parsed_2roc 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.00 -54.40 . " B" 145 . C " B" 146 . N " B" 146 . CA " B" 146 . C parsed_2roc 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.60 -16.40 . " B" 146 . N " B" 146 . CA " B" 146 . C " B" 147 . N parsed_2roc 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.80 -52.10 . " B" 146 . C " B" 147 . N " B" 147 . CA " B" 147 . C parsed_2roc 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.60 -27.80 . " B" 147 . N " B" 147 . CA " B" 147 . C " B" 148 . N parsed_2roc 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.60 -55.60 . " B" 147 . C " B" 148 . N " B" 148 . CA " B" 148 . C parsed_2roc 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.90 -31.90 . " B" 148 . N " B" 148 . CA " B" 148 . C " B" 149 . N parsed_2roc 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -52.00 . " B" 148 . C " B" 149 . N " B" 149 . CA " B" 149 . C parsed_2roc 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.20 -34.20 . " B" 149 . N " B" 149 . CA " B" 149 . C " B" 150 . N parsed_2roc 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.30 -57.10 . " B" 149 . C " B" 150 . N " B" 150 . CA " B" 150 . C parsed_2roc 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.30 -21.90 . " B" 150 . N " B" 150 . CA " B" 150 . C " B" 151 . N parsed_2roc 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.20 -49.90 . " B" 150 . C " B" 151 . N " B" 151 . CA " B" 151 . C parsed_2roc 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.70 -27.50 . " B" 151 . N " B" 151 . CA " B" 151 . C " B" 152 . N parsed_2roc 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.40 -47.20 . " B" 151 . C " B" 152 . N " B" 152 . CA " B" 152 . C parsed_2roc 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.90 -24.00 . " B" 152 . N " B" 152 . CA " B" 152 . C " B" 153 . N parsed_2roc 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.50 -43.60 . " B" 152 . C " B" 153 . N " B" 153 . CA " B" 153 . C parsed_2roc 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.10 -18.90 . " B" 153 . N " B" 153 . CA " B" 153 . C " B" 154 . N parsed_2roc 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.50 -42.30 . " B" 153 . C " B" 154 . N " B" 154 . CA " B" 154 . C parsed_2roc 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.80 32.60 . " B" 154 . N " B" 154 . CA " B" 154 . C " B" 155 . N parsed_2roc 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.10 -32.10 . " B" 154 . C " B" 155 . N " B" 155 . CA " B" 155 . C parsed_2roc 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.30 170.60 . " B" 155 . N " B" 155 . CA " B" 155 . C " B" 156 . N parsed_2roc 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.60 -69.20 . " B" 155 . C " B" 156 . N " B" 156 . CA " B" 156 . C parsed_2roc 1
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 2:26:48 PM GMT (wattos1)