NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | item_count |
30127 | 1bym | cing | recoord | dress | 2-parsed | STAR | dihedral angle | 21 |
data_1bym_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1bym _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_1bym 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1bym _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 1bym "Master copy" parsed_1bym stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1bym _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 1bym.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bym 1 1 1bym.mr . . XPLOR/CNS 2 distance NOE simple 1086 parsed_1bym 1 1 1bym.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1bym 1 1 1bym.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 21 parsed_1bym 1 1 1bym.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1bym 1 1 1bym.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_1bym 1 1 1bym.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1bym 1 1 1bym.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bym 1 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1bym _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 177 . c . 178 . n . 178 . ca . 178 . c parsed_1bym 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 178 . c . 179 . n . 179 . ca . 179 . c parsed_1bym 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 179 . c . 180 . n . 180 . ca . 180 . c parsed_1bym 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 180 . c . 181 . n . 181 . ca . 181 . c parsed_1bym 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 181 . c . 182 . n . 182 . ca . 182 . c parsed_1bym 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 183 . c . 184 . n . 184 . ca . 184 . c parsed_1bym 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 216 . c . 217 . n . 217 . ca . 217 . c parsed_1bym 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 214 . c . 215 . n . 215 . ca . 215 . c parsed_1bym 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 215 . c . 216 . n . 216 . ca . 216 . c parsed_1bym 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 162 . c . 163 . n . 163 . ca . 163 . c parsed_1bym 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -120.0 . . 165 . c . 166 . n . 166 . ca . 166 . c parsed_1bym 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -120.0 . . 192 . c . 193 . n . 193 . ca . 193 . c parsed_1bym 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -120.0 . . 194 . c . 195 . n . 195 . ca . 195 . c parsed_1bym 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 197 . c . 198 . n . 198 . ca . 198 . c parsed_1bym 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 200 . c . 201 . n . 201 . ca . 201 . c parsed_1bym 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -120.0 . . 203 . c . 204 . n . 204 . ca . 204 . c parsed_1bym 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -120.0 . . 204 . c . 205 . n . 205 . ca . 205 . c parsed_1bym 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -120.0 . . 210 . c . 211 . n . 211 . ca . 211 . c parsed_1bym 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 221 . c . 222 . n . 222 . ca . 222 . c parsed_1bym 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -120.0 . . 222 . c . 223 . n . 223 . ca . 223 . c parsed_1bym 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 223 . c . 224 . n . 224 . ca . 224 . c parsed_1bym 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 ; ! phi dihedral angles generated from measured scalar coupling constants (in total 26) ! J between 8-9 Hz was restrained as -120 +/- 30 degree; J > 9 Hz as -140 +/- 20 degree; ! J < 6 Hz -60 +/- 30 degree ! 178 (residue number) ; 1 1 4 28 parsed_1bym 1 2 "! 179" 7 2 7 12 parsed_1bym 1 3 "! 180" 10 2 10 11 parsed_1bym 1 4 "! 181" 13 2 13 12 parsed_1bym 1 5 "! 182" 16 2 16 12 parsed_1bym 1 6 "! 184" 19 2 19 12 parsed_1bym 1 7 "! 217" 22 2 22 11 parsed_1bym 1 8 "! 215" 25 2 25 11 parsed_1bym 1 9 "! 216" 28 2 28 11 parsed_1bym 1 10 "! 163" 31 2 31 11 parsed_1bym 1 11 "! 166" 34 2 34 11 parsed_1bym 1 12 "! 193" 37 2 37 12 parsed_1bym 1 13 "! 195" 40 2 40 12 parsed_1bym 1 14 "! 198" 43 2 43 11 parsed_1bym 1 15 "! 201" 46 2 46 11 parsed_1bym 1 16 "! 204" 49 2 49 12 parsed_1bym 1 17 "! 205" 52 2 52 12 parsed_1bym 1 18 "! 211" 55 2 55 11 parsed_1bym 1 19 "! 222" 58 2 58 11 parsed_1bym 1 20 "! 223" 61 2 61 12 parsed_1bym 1 21 "! 224" 64 2 64 11 parsed_1bym 1 stop_ save_
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