NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
51297 | 2k67 | 15860 | cing | 2-parsed | STAR | dihedral angle | 27 |
data_2k67_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2k67 _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_2k67 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2k67 _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 2k67 "Master copy" parsed_2k67 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2k67 _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 2k67.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k67 1 1 2k67.mr . . XPLOR/CNS 2 distance NOE simple 417 parsed_2k67 1 1 2k67.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 28 parsed_2k67 1 1 2k67.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 27 parsed_2k67 1 1 2k67.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k67 1 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2k67 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . $1 . O5' . $1 . C5' . $1 . C4' . $1 . C3' parsed_2k67 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . $b . O3' . $1 . P . $1 . O5' . $1 . C5' parsed_2k67 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . $1 . P . $1 . O5' . $1 . C5' . $1 . C4' parsed_2k67 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . $1 . C3' . $1 . O3' . $a . P . $a . O5' parsed_2k67 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . $1 . c4' . $1 . o4' . $1 . c1' . $1 . c2' parsed_2k67 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . $1 . o4' . $1 . c1' . $1 . c2' . $1 . c3' parsed_2k67 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 8.0 . . $1 . c1' . $1 . c2' . $1 . c3' . $1 . c4' parsed_2k67 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.0 34.0 . . $1 . c2' . $1 . c3' . $1 . c4' . $1 . o4' parsed_2k67 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -14.0 46.0 . . $1 . c3' . $1 . c4' . $1 . o4' . $1 . c1' parsed_2k67 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . $1 . O5' . $1 . C5' . $1 . C4' . $1 . C3' parsed_2k67 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . $b . O3' . $1 . P . $1 . O5' . $1 . C5' parsed_2k67 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -160.0 . . $1 . P . $1 . O5' . $1 . C5' . $1 . C4' parsed_2k67 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -70.0 . . $1 . C3' . $1 . O3' . $a . P . $a . O5' parsed_2k67 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 0.0 . . $1 . c4' . $1 . o4' . $1 . c1' . $1 . c2' parsed_2k67 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13.0 53.0 . . $1 . o4' . $1 . c1' . $1 . c2' . $1 . c3' parsed_2k67 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -2.0 . . $1 . c1' . $1 . c2' . $1 . c3' . $1 . c4' parsed_2k67 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -16.0 24.0 . . $1 . c2' . $1 . c3' . $1 . c4' . $1 . o4' parsed_2k67 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -4.0 36.0 . . $1 . c3' . $1 . c4' . $1 . o4' . $1 . c1' parsed_2k67 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . $1 . c4' . $1 . o4' . $1 . c1' . $1 . c2' parsed_2k67 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.0 63.0 . . $1 . o4' . $1 . c1' . $1 . c2' . $1 . c3' parsed_2k67 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 8.0 . . $1 . c1' . $1 . c2' . $1 . c3' . $1 . c4' parsed_2k67 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.0 34.0 . . $1 . c2' . $1 . c3' . $1 . c4' . $1 . o4' parsed_2k67 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -14.0 46.0 . . $1 . c3' . $1 . c4' . $1 . o4' . $1 . c1' parsed_2k67 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . $1 . O4' . $1 . C1' . $1 . N9 . $1 . C4 parsed_2k67 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . $1 . O4' . $1 . C1' . $1 . N9 . $1 . C4 parsed_2k67 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -100.00 . . $1 . O4' . $1 . C1' . $1 . N1 . $1 . C2 parsed_2k67 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -90.00 . . $1 . O4' . $1 . C1' . $1 . N1 . $1 . C2 parsed_2k67 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 angles 1 1 1 1 parsed_2k67 1 2 ====> 8 1 8 1 parsed_2k67 1 3 "* Select nucleotides to be restrained. *" 8 36 8 36 parsed_2k67 1 4 "* gamma *" 20 63 20 63 parsed_2k67 1 5 "* alpha *" 25 64 25 64 parsed_2k67 1 6 "* beta *" 30 65 30 65 parsed_2k67 1 7 "* zeta *" 35 65 35 65 parsed_2k67 1 8 "* nu0 *" 40 66 40 66 parsed_2k67 1 9 "* nu1 *" 45 65 45 65 parsed_2k67 1 10 "* nu2 *" 50 65 50 65 parsed_2k67 1 11 "* nu3 *" 55 65 55 65 parsed_2k67 1 12 "* nu4 *" 60 65 60 65 parsed_2k67 1 13 ====> 67 1 67 1 parsed_2k67 1 14 "* Select nucleotides to be restrained. *" 67 36 67 36 parsed_2k67 1 15 "* gamma *" 79 63 79 63 parsed_2k67 1 16 "* alpha *" 84 64 84 64 parsed_2k67 1 17 "* beta *" 89 65 89 65 parsed_2k67 1 18 "* zeta *" 94 65 94 65 parsed_2k67 1 19 "* nu0 *" 99 66 99 66 parsed_2k67 1 20 "* nu1 *" 104 65 104 65 parsed_2k67 1 21 "* nu2 *" 109 65 109 65 parsed_2k67 1 22 "* nu3 *" 114 65 114 65 parsed_2k67 1 23 "* nu4 *" 119 65 119 65 parsed_2k67 1 24 ====> 127 1 127 1 parsed_2k67 1 25 "* Select nucleotides to be restrained. *" 127 36 127 36 parsed_2k67 1 26 "* nu0 *" 139 66 139 66 parsed_2k67 1 27 "* nu1 *" 144 65 144 65 parsed_2k67 1 28 "* nu2 *" 149 65 149 65 parsed_2k67 1 29 "* nu3 *" 154 65 154 65 parsed_2k67 1 30 "* nu4 *" 159 65 159 65 parsed_2k67 1 31 ====> 169 1 169 1 parsed_2k67 1 32 "* Select purines to be restrained. *" 169 36 169 36 parsed_2k67 1 33 "* chi *" 177 64 177 64 parsed_2k67 1 34 ====> 183 1 183 1 parsed_2k67 1 35 "* Select purines to be restrained. *" 183 36 183 36 parsed_2k67 1 36 "* chi *" 191 64 191 64 parsed_2k67 1 37 ====> 198 1 198 1 parsed_2k67 1 38 "* Select pyrimidines to be restrained. *" 198 36 198 36 parsed_2k67 1 39 "* chi *" 206 65 206 65 parsed_2k67 1 40 ====> 212 1 212 1 parsed_2k67 1 41 "* Select pyrimidines to be restrained. *" 212 36 212 36 parsed_2k67 1 42 "* chi *" 220 65 220 65 parsed_2k67 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 dihedral nassign=1000 for $1 in ( {====>} {* Select nucleotides to be restrained. *} 1 7 11 17 ) loop dihe evaluate($a=$1+1) evaluate($b=$1-1) ; 3 1 14 22 parsed_2k67 1 2 ; end loop dihe for $1 in ( {====>} {* Select nucleotides to be restrained. *} 2 3 4 5 6 12 13 14 15 16 ) loop dihe evaluate($a=$1+1) evaluate($b=$1-1) ; 63 2 73 22 parsed_2k67 1 3 ; end loop dihe for $1 in ( {====>} {* Select nucleotides to be restrained. *} 8 9 10 ) loop dihe evaluate($a=$1+1) evaluate($b=$1-1) ; 122 2 133 22 parsed_2k67 1 4 ; end loop dihe for $1 in ( {====>} {* Select purines to be restrained. *} 3 4 12 13 16 ) loop dihe ; 164 2 172 23 parsed_2k67 1 5 ; end loop dihe for $1 in ( {====>} {* Select purines to be restrained. *} 11 17 ) loop dihe ; 179 1 186 23 parsed_2k67 1 6 ; end loop dihe for $1 in ( {====>} {* Select pyrimidines to be restrained. *} 2 5 6 14 15 ) loop dihe ; 193 1 201 23 parsed_2k67 1 7 ; end loop dihe for $1 in ( {====>} {* Select pyrimidines to be restrained. *} 1 7 ) loop dihe ; 208 1 215 23 parsed_2k67 1 8 ; end loop dihe scale=20.0 end ; 222 1 226 3 parsed_2k67 1 stop_ save_
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