NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
532827 | 2kds | cing | 2-parsed | STAR | dipolar coupling | 88 |
data_2kds_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2kds _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_2kds 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2kds _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 2kds "Master copy" parsed_2kds stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2kds _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 2kds.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kds 1 1 2kds.mr . . XPLOR/CNS 2 distance NOE ambi 1545 parsed_2kds 1 1 2kds.mr . . XPLOR/CNS 3 distance "hydrogen bond" ambi 44 parsed_2kds 1 1 2kds.mr . . XPLOR/CNS 4 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2kds 1 1 2kds.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 84 parsed_2kds 1 1 2kds.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 88 parsed_2kds 1 1 2kds.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kds 1 1 2kds.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kds 1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_6 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Entry_ID parsed_2kds _RDC_constraint_list.ID 1 _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 6 _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 . . . . . . . . . . . . . . . . -14.949000 . . . . . 9 . N . 9 . HN parsed_2kds 1 2 . . . . . . . . . . . . . . . . 7.297000 . . . . . 45 . N . 45 . HN parsed_2kds 1 3 . . . . . . . . . . . . . . . . -0.328000 . . . . . 12 . N . 12 . HN parsed_2kds 1 4 . . . . . . . . . . . . . . . . 5.868000 . . . . . 28 . N . 28 . HN parsed_2kds 1 5 . . . . . . . . . . . . . . . . 0.554000 . . . . . 88 . N . 88 . HN parsed_2kds 1 6 . . . . . . . . . . . . . . . . -5.955000 . . . . . 92 . N . 92 . HN parsed_2kds 1 7 . . . . . . . . . . . . . . . . -9.348000 . . . . . 91 . N . 91 . HN parsed_2kds 1 8 . . . . . . . . . . . . . . . . -10.224000 . . . . . 10 . N . 10 . HN parsed_2kds 1 9 . . . . . . . . . . . . . . . . -16.187000 . . . . . 47 . N . 47 . HN parsed_2kds 1 10 . . . . . . . . . . . . . . . . 4.612000 . . . . . 51 . N . 51 . HN parsed_2kds 1 11 . . . . . . . . . . . . . . . . -0.492000 . . . . . 50 . N . 50 . HN parsed_2kds 1 12 . . . . . . . . . . . . . . . . -11.907000 . . . . . 90 . N . 90 . HN parsed_2kds 1 13 . . . . . . . . . . . . . . . . -13.917000 . . . . . 24 . N . 24 . HN parsed_2kds 1 14 . . . . . . . . . . . . . . . . -5.242000 . . . . . 34 . N . 34 . HN parsed_2kds 1 15 . . . . . . . . . . . . . . . . -1.952000 . . . . . 93 . N . 93 . HN parsed_2kds 1 16 . . . . . . . . . . . . . . . . 0.535000 . . . . . 49 . N . 49 . HN parsed_2kds 1 17 . . . . . . . . . . . . . . . . -3.982000 . . . . . 89 . N . 89 . HN parsed_2kds 1 18 . . . . . . . . . . . . . . . . -0.681000 . . . . . 3 . N . 3 . HN parsed_2kds 1 19 . . . . . . . . . . . . . . . . 1.274000 . . . . . 5 . N . 5 . HN parsed_2kds 1 20 . . . . . . . . . . . . . . . . -11.527000 . . . . . 48 . N . 48 . HN parsed_2kds 1 21 . . . . . . . . . . . . . . . . 3.452000 . . . . . 62 . N . 62 . HN parsed_2kds 1 22 . . . . . . . . . . . . . . . . -4.749000 . . . . . 71 . N . 71 . HN parsed_2kds 1 23 . . . . . . . . . . . . . . . . 4.206000 . . . . . 21 . N . 21 . HN parsed_2kds 1 24 . . . . . . . . . . . . . . . . -15.774000 . . . . . 76 . N . 76 . HN parsed_2kds 1 25 . . . . . . . . . . . . . . . . 4.755000 . . . . . 84 . N . 84 . HN parsed_2kds 1 26 . . . . . . . . . . . . . . . . -13.661000 . . . . . 67 . N . 67 . HN parsed_2kds 1 27 . . . . . . . . . . . . . . . . -4.629000 . . . . . 60 . N . 60 . HN parsed_2kds 1 28 . . . . . . . . . . . . . . . . -7.011000 . . . . . 78 . N . 78 . HN parsed_2kds 1 29 . . . . . . . . . . . . . . . . -9.135000 . . . . . 44 . N . 44 . HN parsed_2kds 1 30 . . . . . . . . . . . . . . . . -3.596000 . . . . . 16 . N . 16 . HN parsed_2kds 1 31 . . . . . . . . . . . . . . . . -1.714000 . . . . . 18 . N . 18 . HN parsed_2kds 1 32 . . . . . . . . . . . . . . . . 0.471000 . . . . . 55 . N . 55 . HN parsed_2kds 1 33 . . . . . . . . . . . . . . . . 3.083000 . . . . . 8 . N . 8 . HN parsed_2kds 1 34 . . . . . . . . . . . . . . . . -1.336000 . . . . . 11 . N . 11 . HN parsed_2kds 1 35 . . . . . . . . . . . . . . . . -1.613000 . . . . . 65 . N . 65 . HN parsed_2kds 1 36 . . . . . . . . . . . . . . . . 8.582000 . . . . . 68 . N . 68 . HN parsed_2kds 1 37 . . . . . . . . . . . . . . . . -2.468000 . . . . . 59 . N . 59 . HN parsed_2kds 1 38 . . . . . . . . . . . . . . . . 0.321000 . . . . . 64 . N . 64 . HN parsed_2kds 1 39 . . . . . . . . . . . . . . . . -9.457000 . . . . . 35 . N . 35 . HN parsed_2kds 1 40 . . . . . . . . . . . . . . . . 4.460000 . . . . . 4 . N . 4 . HN parsed_2kds 1 41 . . . . . . . . . . . . . . . . -9.559000 . . . . . 77 . N . 77 . HN parsed_2kds 1 42 . . . . . . . . . . . . . . . . 2.454000 . . . . . 54 . N . 54 . HN parsed_2kds 1 43 . . . . . . . . . . . . . . . . -0.627000 . . . . . 87 . N . 87 . HN parsed_2kds 1 44 . . . . . . . . . . . . . . . . -15.358000 . . . . . 23 . N . 23 . HN parsed_2kds 1 45 . . . . . . . . . . . . . . . . 2.503000 . . . . . 29 . N . 29 . HN parsed_2kds 1 46 . . . . . . . . . . . . . . . . -13.396000 . . . . . 72 . N . 72 . HN parsed_2kds 1 47 . . . . . . . . . . . . . . . . 3.167000 . . . . . 13 . N . 13 . HN parsed_2kds 1 48 . . . . . . . . . . . . . . . . -10.938000 . . . . . 73 . N . 73 . HN parsed_2kds 1 49 . . . . . . . . . . . . . . . . -8.570000 . . . . . 70 . N . 70 . HN parsed_2kds 1 50 . . . . . . . . . . . . . . . . -7.233000 . . . . . 52 . N . 52 . HN parsed_2kds 1 51 . . . . . . . . . . . . . . . . -1.777000 . . . . . 83 . N . 83 . HN parsed_2kds 1 52 . . . . . . . . . . . . . . . . -6.722000 . . . . . 75 . N . 75 . HN parsed_2kds 1 53 . . . . . . . . . . . . . . . . 5.656000 . . . . . 32 . N . 32 . HN parsed_2kds 1 54 . . . . . . . . . . . . . . . . 7.774000 . . . . . 82 . N . 82 . HN parsed_2kds 1 55 . . . . . . . . . . . . . . . . 9.236000 . . . . . 14 . N . 14 . HN parsed_2kds 1 56 . . . . . . . . . . . . . . . . -2.656000 . . . . . 80 . N . 80 . HN parsed_2kds 1 57 . . . . . . . . . . . . . . . . 8.459000 . . . . . 85 . N . 85 . HN parsed_2kds 1 58 . . . . . . . . . . . . . . . . 4.498000 . . . . . 41 . N . 41 . HN parsed_2kds 1 59 . . . . . . . . . . . . . . . . -12.984000 . . . . . 7 . N . 7 . HN parsed_2kds 1 60 . . . . . . . . . . . . . . . . 6.217000 . . . . . 40 . N . 40 . HN parsed_2kds 1 61 . . . . . . . . . . . . . . . . 2.462000 . . . . . 17 . N . 17 . HN parsed_2kds 1 62 . . . . . . . . . . . . . . . . -3.041000 . . . . . 61 . N . 61 . HN parsed_2kds 1 63 . . . . . . . . . . . . . . . . -15.686000 . . . . . 37 . N . 37 . HN parsed_2kds 1 64 . . . . . . . . . . . . . . . . 4.243000 . . . . . 58 . N . 58 . HN parsed_2kds 1 65 . . . . . . . . . . . . . . . . -4.127000 . . . . . 20 . N . 20 . HN parsed_2kds 1 66 . . . . . . . . . . . . . . . . 3.669000 . . . . . 81 . N . 81 . HN parsed_2kds 1 67 . . . . . . . . . . . . . . . . 1.664000 . . . . . 86 . N . 86 . HN parsed_2kds 1 68 . . . . . . . . . . . . . . . . -5.509000 . . . . . 31 . N . 31 . HN parsed_2kds 1 69 . . . . . . . . . . . . . . . . -1.657000 . . . . . 57 . N . 57 . HN parsed_2kds 1 70 . . . . . . . . . . . . . . . . 5.439000 . . . . . 66 . N . 66 . HN parsed_2kds 1 71 . . . . . . . . . . . . . . . . 2.750000 . . . . . 19 . N . 19 . HN parsed_2kds 1 72 . . . . . . . . . . . . . . . . 1.228000 . . . . . 30 . N . 30 . HN parsed_2kds 1 73 . . . . . . . . . . . . . . . . 5.141000 . . . . . 33 . N . 33 . HN parsed_2kds 1 74 . . . . . . . . . . . . . . . . -12.270000 . . . . . 79 . N . 79 . HN parsed_2kds 1 75 . . . . . . . . . . . . . . . . -11.600000 . . . . . 22 . N . 22 . HN parsed_2kds 1 76 . . . . . . . . . . . . . . . . -17.636000 . . . . . 36 . N . 36 . HN parsed_2kds 1 77 . . . . . . . . . . . . . . . . 11.358000 . . . . . 43 . N . 43 . HN parsed_2kds 1 78 . . . . . . . . . . . . . . . . 9.831000 . . . . . 15 . N . 15 . HN parsed_2kds 1 79 . . . . . . . . . . . . . . . . 3.745000 . . . . . 42 . N . 42 . HN parsed_2kds 1 80 . . . . . . . . . . . . . . . . 5.337000 . . . . . 63 . N . 63 . HN parsed_2kds 1 81 . . . . . . . . . . . . . . . . -2.127000 . . . . . 25 . N . 25 . HN parsed_2kds 1 82 . . . . . . . . . . . . . . . . 4.496000 . . . . . 27 . N . 27 . HN parsed_2kds 1 83 . . . . . . . . . . . . . . . . 3.061000 . . . . . 6 . N . 6 . HN parsed_2kds 1 84 . . . . . . . . . . . . . . . . -5.204000 . . . . . 46 . N . 46 . HN parsed_2kds 1 85 . . . . . . . . . . . . . . . . 2.429000 . . . . . 53 . N . 53 . HN parsed_2kds 1 86 . . . . . . . . . . . . . . . . -12.960000 . . . . . 69 . N . 69 . HN parsed_2kds 1 87 . . . . . . . . . . . . . . . . -6.479000 . . . . . 74 . N . 74 . HN parsed_2kds 1 88 . . . . . . . . . . . . . . . . -6.308000 . . . . . 95 . N . 95 . HN parsed_2kds 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 ; !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !! N-HN Dipolar Couplings ; 1 1 2 27 parsed_2kds 1 2 ; assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 39 and name N ) ( resid 39 and name HN ) -1.785000 0.500000 ; 16 1 21 55 parsed_2kds 1 3 "remove next one ?" 148 1 148 20 parsed_2kds 1 4 "remove next one ?" 281 1 281 20 parsed_2kds 1 5 ; assign ( resid 999 and name OO ) ( resid 999 and name Z ) ( resid 999 and name X ) ( resid 999 and name Y ) ( resid 26 and name N ) ( resid 26 and name HN ) 8.677000 0.500000 ; 324 1 329 54 parsed_2kds 1 stop_ save_
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