NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
50794 | 2k3c | 15747 | cing | 2-parsed | STAR | distance | NOE | ambi | 42 |
data_2k3c_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2k3c _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_2k3c 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2k3c _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 2k3c "Master copy" parsed_2k3c stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2k3c _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 2k3c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k3c 1 1 2k3c.mr . . XPLOR/CNS 2 distance NOE simple 1302 parsed_2k3c 1 1 2k3c.mr . . XPLOR/CNS 3 distance NOE ambi 42 parsed_2k3c 1 1 2k3c.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2k3c 1 1 2k3c.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k3c 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2k3c _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2k3c 1 2 1 . . . parsed_2k3c 1 3 1 . . . parsed_2k3c 1 4 1 . . . parsed_2k3c 1 5 1 . . . parsed_2k3c 1 6 1 . . . parsed_2k3c 1 7 1 . . . parsed_2k3c 1 8 1 . . . parsed_2k3c 1 9 1 . . . parsed_2k3c 1 10 1 . . . parsed_2k3c 1 11 1 . . . parsed_2k3c 1 12 1 . . . parsed_2k3c 1 13 1 . . . parsed_2k3c 1 14 1 . . . parsed_2k3c 1 15 1 . . . parsed_2k3c 1 16 1 . . . parsed_2k3c 1 17 1 . . . parsed_2k3c 1 18 1 . . . parsed_2k3c 1 19 1 . . . parsed_2k3c 1 20 1 . . . parsed_2k3c 1 21 1 . . . parsed_2k3c 1 22 1 . . . parsed_2k3c 1 23 1 . . . parsed_2k3c 1 24 1 . . . parsed_2k3c 1 25 1 . . . parsed_2k3c 1 26 1 . . . parsed_2k3c 1 27 1 . . . parsed_2k3c 1 28 1 . . . parsed_2k3c 1 29 1 . . . parsed_2k3c 1 30 1 . . . parsed_2k3c 1 31 1 . . . parsed_2k3c 1 32 1 . . . parsed_2k3c 1 33 1 . . . parsed_2k3c 1 34 1 . . . parsed_2k3c 1 35 1 . . . parsed_2k3c 1 36 1 . . . parsed_2k3c 1 37 1 . . . parsed_2k3c 1 38 1 . . . parsed_2k3c 1 39 1 . . . parsed_2k3c 1 40 1 . . . parsed_2k3c 1 41 1 . . . parsed_2k3c 1 42 1 . . . parsed_2k3c 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 1 . HN parsed_2k3c 1 1 1 2 . . . . . . . . . 3 . HN parsed_2k3c 1 1 1 2 . . . . . . . . . 4 . HN parsed_2k3c 1 2 1 1 . . . . . . . . . 4 . HA parsed_2k3c 1 2 1 2 . . . . . . . . . 4 . HB* parsed_2k3c 1 2 1 2 . . . . . . . . . 4 . HE* parsed_2k3c 1 3 1 1 . . . . . . . . . 4 . HG* parsed_2k3c 1 3 1 2 . . . . . . . . . 4 . HB* parsed_2k3c 1 3 1 2 . . . . . . . . . 4 . HE* parsed_2k3c 1 4 1 1 . . . . . . . . . 4 . HN parsed_2k3c 1 4 1 2 . . . . . . . . . 4 . HB* parsed_2k3c 1 4 1 2 . . . . . . . . . 4 . HE* parsed_2k3c 1 5 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 5 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1 5 1 2 . . . . . . . . . 4 . HG* parsed_2k3c 1 5 1 2 . . . . . . . . . 18 . HG* parsed_2k3c 1 6 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 6 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1 6 1 2 . . . . . . . . . 18 . HG* parsed_2k3c 1 7 1 1 . . . . . . . . . 4 . HG* parsed_2k3c 1 7 1 1 . . . . . . . . . 18 . HG* parsed_2k3c 1 7 1 2 . . . . . . . . . 4 . HB* parsed_2k3c 1 7 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1 8 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 8 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1 8 1 2 . . . . . . . . . 1 . HN parsed_2k3c 1 9 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 9 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1 9 1 2 . . . . . . . . . 1 . HN parsed_2k3c 1 10 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 10 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1 10 1 2 . . . . . . . . . 2 . HN parsed_2k3c 1 11 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 11 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1 11 1 2 . . . . . . . . . 2 . HN parsed_2k3c 1 12 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 12 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1 12 1 2 . . . . . . . . . 3 . HB* parsed_2k3c 1 13 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 13 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1 13 1 2 . . . . . . . . . 3 . HB* parsed_2k3c 1 14 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 14 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1 14 1 2 . . . . . . . . . 3 . HD* parsed_2k3c 1 15 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 15 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1 15 1 2 . . . . . . . . . 3 . HD* parsed_2k3c 1 16 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 16 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1 16 1 2 . . . . . . . . . 3 . HE* parsed_2k3c 1 17 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 17 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1 17 1 2 . . . . . . . . . 4 . HA parsed_2k3c 1 18 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 18 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1 18 1 2 . . . . . . . . . 4 . HA parsed_2k3c 1 19 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 19 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1 19 1 2 . . . . . . . . . 4 . HN parsed_2k3c 1 20 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 20 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1 20 1 2 . . . . . . . . . 4 . HN parsed_2k3c 1 21 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 21 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1 21 1 2 . . . . . . . . . 5 . HB* parsed_2k3c 1 22 1 1 . . . . . . . . . 4 . HB* parsed_2k3c 1 22 1 1 . . . . . . . . . 4 . HE* parsed_2k3c 1 22 1 2 . . . . . . . . . 6 . HN parsed_2k3c 1 23 1 1 . . . . . . . . . 3 . HN parsed_2k3c 1 23 1 1 . . . . . . . . . 4 . HN parsed_2k3c 1 23 1 2 . . . . . . . . . 6 . HB* parsed_2k3c 1 24 1 1 . . . . . . . . . 5 . HB* parsed_2k3c 1 24 1 2 . . . . . . . . . 4 . HB* parsed_2k3c 1 24 1 2 . . . . . . . . . 4 . HE* parsed_2k3c 1 25 1 1 . . . . . . . . . 6 . HN parsed_2k3c 1 25 1 2 . . . . . . . . . 3 . HN parsed_2k3c 1 25 1 2 . . . . . . . . . 4 . HN parsed_2k3c 1 26 1 1 . . . . . . . . . 15 . HA parsed_2k3c 1 26 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1 26 1 2 . . . . . . . . . 18 . HE* parsed_2k3c 1 27 1 1 . . . . . . . . . 18 . HA parsed_2k3c 1 27 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1 27 1 2 . . . . . . . . . 18 . HE* parsed_2k3c 1 28 1 1 . . . . . . . . . 18 . HA parsed_2k3c 1 28 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1 28 1 2 . . . . . . . . . 18 . HE* parsed_2k3c 1 29 1 1 . . . . . . . . . 18 . HG* parsed_2k3c 1 29 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1 29 1 2 . . . . . . . . . 18 . HE* parsed_2k3c 1 30 1 1 . . . . . . . . . 18 . HN parsed_2k3c 1 30 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1 30 1 2 . . . . . . . . . 18 . HE* parsed_2k3c 1 31 1 1 . . . . . . . . . 18 . HN parsed_2k3c 1 31 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1 31 1 2 . . . . . . . . . 18 . HE* parsed_2k3c 1 32 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1 32 1 1 . . . . . . . . . 18 . HE* parsed_2k3c 1 32 1 2 . . . . . . . . . 18 . HA parsed_2k3c 1 33 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1 33 1 1 . . . . . . . . . 18 . HE* parsed_2k3c 1 33 1 2 . . . . . . . . . 18 . HA parsed_2k3c 1 34 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1 34 1 1 . . . . . . . . . 18 . HE* parsed_2k3c 1 34 1 2 . . . . . . . . . 18 . HN parsed_2k3c 1 35 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1 35 1 1 . . . . . . . . . 18 . HE* parsed_2k3c 1 35 1 2 . . . . . . . . . 18 . HN parsed_2k3c 1 36 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1 36 1 1 . . . . . . . . . 18 . HE* parsed_2k3c 1 36 1 2 . . . . . . . . . 20 . HN parsed_2k3c 1 37 1 1 . . . . . . . . . 18 . HB* parsed_2k3c 1 37 1 1 . . . . . . . . . 18 . HE* parsed_2k3c 1 37 1 2 . . . . . . . . . 20 . HN parsed_2k3c 1 38 1 1 . . . . . . . . . 19 . HB* parsed_2k3c 1 38 1 2 . . . . . . . . . 18 . HB* parsed_2k3c 1 38 1 2 . . . . . . . . . 18 . HE* parsed_2k3c 1 39 1 1 . . . . . . . . . 21 . HN parsed_2k3c 1 39 1 1 . . . . . . . . . 24 . HN parsed_2k3c 1 39 1 2 . . . . . . . . . 23 . HB* parsed_2k3c 1 40 1 1 . . . . . . . . . 21 . HN parsed_2k3c 1 40 1 1 . . . . . . . . . 24 . HN parsed_2k3c 1 40 1 2 . . . . . . . . . 23 . HN parsed_2k3c 1 41 1 1 . . . . . . . . . 21 . HN parsed_2k3c 1 41 1 1 . . . . . . . . . 24 . HN parsed_2k3c 1 41 1 2 . . . . . . . . . 23 . HB* parsed_2k3c 1 41 1 2 . . . . . . . . . 24 . HA* parsed_2k3c 1 42 1 1 . . . . . . . . . 21 . HA parsed_2k3c 1 42 1 2 . . . . . . . . . 25 . HN parsed_2k3c 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1 2 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 3 1 . . . . . 2.900 1.800 4.000 parsed_2k3c 1 4 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 5 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 6 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 7 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 8 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1 9 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 10 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1 11 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1 12 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1 13 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1 14 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1 15 1 . . . . . 2.300 1.800 2.800 parsed_2k3c 1 16 1 . . . . . 2.900 1.800 4.000 parsed_2k3c 1 17 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 18 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 19 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 20 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 21 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 22 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 23 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 24 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 25 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1 26 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 27 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 28 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 29 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1 30 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1 31 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1 32 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 33 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 34 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1 35 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 36 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1 37 1 . . . . . 3.400 1.800 5.000 parsed_2k3c 1 38 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 39 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 40 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 41 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 42 1 . . . . . 3.900 1.800 6.000 parsed_2k3c 1 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 ; -------------------------------------------------------------------------- Ambiguous NOEs ; 1 1 2 17 parsed_2k3c 1 2 "incr to 5.0 after round 10. (54 viol avg 0.274)" 5 27 5 76 parsed_2k3c 1 3 "shortened - calc dist 6.377" 8 27 8 56 parsed_2k3c 1 4 "no changes - calc dist 3.370" 11 27 11 57 parsed_2k3c 1 5 "shortened - calc dist 8.173" 14 27 14 56 parsed_2k3c 1 6 "shortened - calc dist 6.725" 17 27 17 56 parsed_2k3c 1 7 "shortened - calc dist 6.337" 20 27 20 56 parsed_2k3c 1 8 "no changes - calc dist 5.592" 23 27 23 57 parsed_2k3c 1 9 "incr to 5.0 after round 8. (64 viol avg 0.237)" 26 27 26 75 parsed_2k3c 1 10 "no changes - calc dist 5.152" 29 27 29 57 parsed_2k3c 1 11 "incr to 5.0 after round 8. (89 viol avg 0.265)" 32 27 32 75 parsed_2k3c 1 12 "incr to 5.0 after round 8. (89 viol avg 0.265)" 35 27 35 75 parsed_2k3c 1 13 "no changes - calc dist 4.128" 38 27 38 57 parsed_2k3c 1 14 "no changes - calc dist 4.993" 41 27 41 57 parsed_2k3c 1 15 "no changes - calc dist 4.285" 44 27 44 57 parsed_2k3c 1 16 "no changes - calc dist 2.143" 47 27 47 57 parsed_2k3c 1 17 "no changes - calc dist 3.937" 50 27 50 57 parsed_2k3c 1 18 "no changes - calc dist 5.779" 53 27 53 57 parsed_2k3c 1 19 "no changes - calc dist 5.072" 56 27 56 57 parsed_2k3c 1 20 "shortened - calc dist 8.199" 59 27 59 56 parsed_2k3c 1 21 "shortened - calc dist 8.250" 62 27 62 56 parsed_2k3c 1 22 "shortened - calc dist 6.539" 65 27 65 56 parsed_2k3c 1 23 "incr to 6.0 after round 15. (38 viol avg 0.149)" 68 27 68 76 parsed_2k3c 1 24 "shortened - calc dist 6.404" 71 27 71 56 parsed_2k3c 1 25 "shortened - calc dist 7.282" 74 27 74 56 parsed_2k3c 1 26 "no changes - calc dist 4.927" 77 27 77 57 parsed_2k3c 1 27 "no changes - calc dist 5.153" 80 27 80 57 parsed_2k3c 1 28 "no changes - calc dist 5.074" 83 27 83 57 parsed_2k3c 1 29 "no changes - calc dist 5.253" 86 27 86 57 parsed_2k3c 1 30 "no changes - calc dist 4.087" 89 27 89 57 parsed_2k3c 1 31 "no changes - calc dist 4.543" 92 27 92 57 parsed_2k3c 1 32 "no changes - calc dist 4.868" 95 27 95 57 parsed_2k3c 1 33 "shortened - calc dist 7.888" 98 27 98 56 parsed_2k3c 1 34 "shortened - calc dist 7.190" 101 27 101 56 parsed_2k3c 1 35 "no changes - calc dist 4.689" 104 27 104 57 parsed_2k3c 1 36 "no changes - calc dist 5.482" 107 27 107 57 parsed_2k3c 1 37 "incr to 5.0 after round 15. (44 viol avg 0.185)" 110 27 110 76 parsed_2k3c 1 38 "incr to 5.0 after round 15. (44 viol avg 0.185)" 113 27 113 76 parsed_2k3c 1 39 "shortened - calc dist 7.058" 116 27 116 56 parsed_2k3c 1 40 "shortened - calc dist 8.307" 119 27 119 56 parsed_2k3c 1 41 "no changes - calc dist 5.010" 122 27 122 57 parsed_2k3c 1 42 "shortened - calc dist 8.446" 125 27 125 56 parsed_2k3c 1 43 "could be commented out due to major violation after round 14" 128 27 128 89 parsed_2k3c 1 stop_ save_
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