NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
516929 | 2k3b | 16843 | cing | 2-parsed | STAR | dipolar coupling | 45 |
data_2k3b_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2k3b _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_2k3b 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2k3b _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 2k3b "Master copy" parsed_2k3b stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2k3b _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 2k3b.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k3b 1 1 2k3b.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 25 parsed_2k3b 1 1 2k3b.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 1 parsed_2k3b 1 1 2k3b.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 2 parsed_2k3b 1 1 2k3b.mr . . XPLOR/CNS 5 unknown "Not applicable" "Not applicable" 0 parsed_2k3b 1 1 2k3b.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 70 parsed_2k3b 1 1 2k3b.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 16 parsed_2k3b 1 1 2k3b.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k3b 1 1 2k3b.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 45 parsed_2k3b 1 1 2k3b.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2k3b 1 1 2k3b.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k3b 1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_9 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Entry_ID parsed_2k3b _RDC_constraint_list.ID 1 _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 9 _RDC_constraint_list.Details "Generated by Wattos" loop_ _RDC_constraint.ID _RDC_constraint.Assembly_atom_ID_1 _RDC_constraint.Entity_assembly_ID_1 _RDC_constraint.Entity_ID_1 _RDC_constraint.Comp_index_ID_1 _RDC_constraint.Seq_ID_1 _RDC_constraint.Comp_ID_1 _RDC_constraint.Atom_ID_1 _RDC_constraint.Resonance_ID_1 _RDC_constraint.Assembly_atom_ID_2 _RDC_constraint.Entity_assembly_ID_2 _RDC_constraint.Entity_ID_2 _RDC_constraint.Comp_index_ID_2 _RDC_constraint.Seq_ID_2 _RDC_constraint.Comp_ID_2 _RDC_constraint.Atom_ID_2 _RDC_constraint.Resonance_ID_2 _RDC_constraint.RDC_val _RDC_constraint.RDC_lower_bound _RDC_constraint.RDC_upper_bound _RDC_constraint.RDC_val_err _RDC_constraint.Source_experiment_ID _RDC_constraint.Auth_asym_ID_1 _RDC_constraint.Auth_seq_ID_1 _RDC_constraint.Auth_comp_ID_1 _RDC_constraint.Auth_atom_ID_1 _RDC_constraint.Auth_asym_ID_2 _RDC_constraint.Auth_seq_ID_2 _RDC_constraint.Auth_comp_ID_2 _RDC_constraint.Auth_atom_ID_2 _RDC_constraint.Entry_ID _RDC_constraint.RDC_constraint_list_ID 1 . . . . . . . . . . . . . . . . 1.93 . . . . . 20 . C . 21 . HN parsed_2k3b 1 2 . . . . . . . . . . . . . . . . -6.02 . . . . . 24 . C . 25 . HN parsed_2k3b 1 3 . . . . . . . . . . . . . . . . 3.3 . . . . . 46 . C . 47 . HN parsed_2k3b 1 4 . . . . . . . . . . . . . . . . 7.042493 . . . . . 6 . C . 7 . HN parsed_2k3b 1 5 . . . . . . . . . . . . . . . . 2.658458 . . . . . 7 . C . 8 . HN parsed_2k3b 1 6 . . . . . . . . . . . . . . . . -9.154187 . . . . . 8 . C . 9 . HN parsed_2k3b 1 7 . . . . . . . . . . . . . . . . -9.852751 . . . . . 9 . C . 10 . HN parsed_2k3b 1 8 . . . . . . . . . . . . . . . . 12.819709 . . . . . 12 . C . 13 . HN parsed_2k3b 1 9 . . . . . . . . . . . . . . . . -9.058220 . . . . . 13 . C . 14 . HN parsed_2k3b 1 10 . . . . . . . . . . . . . . . . 14.871792 . . . . . 15 . C . 16 . HN parsed_2k3b 1 11 . . . . . . . . . . . . . . . . 12.559330 . . . . . 22 . C . 23 . HN parsed_2k3b 1 12 . . . . . . . . . . . . . . . . 7.599500 . . . . . 31 . C . 32 . HN parsed_2k3b 1 13 . . . . . . . . . . . . . . . . 10.293348 . . . . . 34 . C . 35 . HN parsed_2k3b 1 14 . . . . . . . . . . . . . . . . 4.083306 . . . . . 36 . C . 37 . HN parsed_2k3b 1 15 . . . . . . . . . . . . . . . . -16.867450 . . . . . 37 . C . 38 . HN parsed_2k3b 1 16 . . . . . . . . . . . . . . . . 10.844880 . . . . . 47 . C . 48 . HN parsed_2k3b 1 17 . . . . . . . . . . . . . . . . 0.938677 . . . . . 48 . C . 49 . HN parsed_2k3b 1 18 . . . . . . . . . . . . . . . . -7.669380 . . . . . 52 . C . 53 . HN parsed_2k3b 1 19 . . . . . . . . . . . . . . . . -6.802148 . . . . . 53 . C . 54 . HN parsed_2k3b 1 20 . . . . . . . . . . . . . . . . 6.280084 . . . . . 54 . C . 55 . HN parsed_2k3b 1 21 . . . . . . . . . . . . . . . . 5.123624 . . . . . 55 . C . 56 . HN parsed_2k3b 1 22 . . . . . . . . . . . . . . . . 10.500000 . . . . . 5 . N . 5 . HN parsed_2k3b 1 23 . . . . . . . . . . . . . . . . -10.800000 . . . . . 8 . N . 8 . HN parsed_2k3b 1 24 . . . . . . . . . . . . . . . . -17.000000 . . . . . 9 . N . 9 . HN parsed_2k3b 1 25 . . . . . . . . . . . . . . . . -8.100000 . . . . . 10 . N . 10 . HN parsed_2k3b 1 26 . . . . . . . . . . . . . . . . -7.900000 . . . . . 11 . N . 11 . HN parsed_2k3b 1 27 . . . . . . . . . . . . . . . . -0.300000 . . . . . 12 . N . 12 . HN parsed_2k3b 1 28 . . . . . . . . . . . . . . . . 9.700000 . . . . . 13 . N . 13 . HN parsed_2k3b 1 29 . . . . . . . . . . . . . . . . 4.500000 . . . . . 14 . N . 14 . HN parsed_2k3b 1 30 . . . . . . . . . . . . . . . . 12.100000 . . . . . 15 . N . 15 . HN parsed_2k3b 1 31 . . . . . . . . . . . . . . . . -4.900000 . . . . . 16 . N . 16 . HN parsed_2k3b 1 32 . . . . . . . . . . . . . . . . 7.000000 . . . . . 17 . N . 17 . HN parsed_2k3b 1 33 . . . . . . . . . . . . . . . . 13.700000 . . . . . 18 . N . 18 . HN parsed_2k3b 1 34 . . . . . . . . . . . . . . . . -10.300000 . . . . . 19 . N . 19 . HN parsed_2k3b 1 35 . . . . . . . . . . . . . . . . 5.700000 . . . . . 26 . N . 26 . HN parsed_2k3b 1 36 . . . . . . . . . . . . . . . . 3.000000 . . . . . 30 . N . 30 . HN parsed_2k3b 1 37 . . . . . . . . . . . . . . . . -8.200000 . . . . . 31 . N . 31 . HN parsed_2k3b 1 38 . . . . . . . . . . . . . . . . 2.100000 . . . . . 33 . N . 33 . HN parsed_2k3b 1 39 . . . . . . . . . . . . . . . . 6.700000 . . . . . 34 . N . 34 . HN parsed_2k3b 1 40 . . . . . . . . . . . . . . . . 5.500000 . . . . . 35 . N . 35 . HN parsed_2k3b 1 41 . . . . . . . . . . . . . . . . 4.300000 . . . . . 36 . N . 36 . HN parsed_2k3b 1 42 . . . . . . . . . . . . . . . . -5.000000 . . . . . 37 . N . 37 . HN parsed_2k3b 1 43 . . . . . . . . . . . . . . . . 8.900000 . . . . . 49 . N . 49 . HN parsed_2k3b 1 44 . . . . . . . . . . . . . . . . 5.200000 . . . . . 52 . N . 52 . HN parsed_2k3b 1 45 . . . . . . . . . . . . . . . . 6.000000 . . . . . 53 . N . 53 . HN parsed_2k3b 1 stop_ loop_ _RDC_constraint_comment_org.ID _RDC_constraint_comment_org.Comment_text _RDC_constraint_comment_org.Comment_begin_line _RDC_constraint_comment_org.Comment_begin_column _RDC_constraint_comment_org.Comment_end_line _RDC_constraint_comment_org.Comment_end_column _RDC_constraint_comment_org.Entry_ID _RDC_constraint_comment_org.RDC_constraint_list_ID 1 "added F20 D24 and S46" 1 1 1 24 parsed_2k3b 1 2 ; Removed RDCS for 3 23 29 add 26 37 assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 3 and name N ) ( resid 3 and name HN ) 13.900000 4.100000 ; 154 1 161 56 parsed_2k3b 1 3 ; assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 23 and name N ) ( resid 23 and name HN ) 11.500000 4.600000 ; 254 1 259 56 parsed_2k3b 1 4 ; assign ( resid 600 and name OO ) ( resid 600 and name Z ) ( resid 600 and name X ) ( resid 600 and name Y ) ( resid 29 and name N ) ( resid 29 and name HN ) 5.700000 3.300000 ; 268 1 273 55 parsed_2k3b 1 stop_ save_
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