NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
466756 | 2kkr | 16397 | cing | 2-parsed | STAR | dihedral angle | 56 |
data_2kkr_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2kkr _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_2kkr 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2kkr _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 2kkr "Master copy" parsed_2kkr stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2kkr _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 2kkr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kkr 1 1 2kkr.mr . . XPLOR/CNS 2 distance NOE simple 1589 parsed_2kkr 1 1 2kkr.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 56 parsed_2kkr 1 1 2kkr.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kkr 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2kkr _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.00 -35.00 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2kkr 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.00 -35.00 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2kkr 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.18 -79.86 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2kkr 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.97 186.37 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2kkr 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.35 -53.71 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2kkr 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.71 185.39 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2kkr 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.61 -49.37 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2kkr 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.92 4.88 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2kkr 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.33 -46.93 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2kkr 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.32 -7.96 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2kkr 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.05 -44.09 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2kkr 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.28 28.64 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2kkr 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.42 -23.14 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2kkr 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.69 163.77 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2kkr 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.44 -48.96 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2kkr 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.25 203.85 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2kkr 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.48 -45.28 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2kkr 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.01 -10.01 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2kkr 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.13 -50.13 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2kkr 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.87 -31.07 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2kkr 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.65 -49.65 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2kkr 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.16 -25.16 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2kkr 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.85 -55.81 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2kkr 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.06 -27.78 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2kkr 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.53 -52.81 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2kkr 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.29 -4.13 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2kkr 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.66 -53.70 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2kkr 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.98 150.10 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2kkr 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.86 -88.22 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2kkr 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.60 181.16 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2kkr 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.09 -45.21 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2kkr 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.37 176.21 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2kkr 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.96 -46.96 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2kkr 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.66 -35.26 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2kkr 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.18 -55.54 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2kkr 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.27 -26.39 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2kkr 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.01 -54.05 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2kkr 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.59 -33.55 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2kkr 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.57 -54.81 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2kkr 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.45 -28.61 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2kkr 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.69 -51.01 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2kkr 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.16 -30.04 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2kkr 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.99 -53.79 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2kkr 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.67 -27.91 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2kkr 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.68 -58.48 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2kkr 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.91 -28.15 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2kkr 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.25 -51.53 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2kkr 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.44 -20.08 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_2kkr 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.76 -48.28 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2kkr 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.69 -28.93 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2kkr 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.58 -45.26 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2kkr 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.36 -16.64 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2kkr 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.28 -46.40 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2kkr 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.71 -12.03 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2kkr 1 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.38 -48.06 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_2kkr 1 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.21 16.67 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_2kkr 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 "E 11 Phi" 1 1 1 13 parsed_2kkr 1 2 "F 12 Phi" 4 1 4 13 parsed_2kkr 1 3 "H 17 Phi Psi" 7 1 7 16 parsed_2kkr 1 4 ; V 20 Phi Psi assign (resid 19 and name C ) (resid 20 and name N) (resid 20 and name CA) (resid 20 and name C) 1.0 -75.02 31.76 2 assign (resid 20 and name N) (resid 20 and name CA) (resid 20 and name C) (resid 21 and name N) 1.0 131.03 18.36 2 D 22 Phi Psi ; 12 1 17 16 parsed_2kkr 1 5 "L 23 Phi Psi" 22 1 22 16 parsed_2kkr 1 6 "D 24 Phi Psi" 27 1 27 16 parsed_2kkr 1 7 "T 25 Phi Psi" 32 1 32 16 parsed_2kkr 1 8 ; K 27 Phi Psi assign (resid 26 and name C ) (resid 27 and name N) (resid 27 and name CA) (resid 27 and name C) 1.0 -109.87 42.00 2 assign (resid 27 and name N) (resid 27 and name CA) (resid 27 and name C) (resid 28 and name N) 1.0 138.70 45.22 2 C 35 Phi Psi ; 37 1 42 16 parsed_2kkr 1 9 ; K 36 Phi Psi assign (resid 35 and name C ) (resid 36 and name N) (resid 36 and name CA) (resid 36 and name C) 1.0 -73.70 32.14 2 assign (resid 36 and name N) (resid 36 and name CA) (resid 36 and name C) (resid 37 and name N) 1.0 123.20 32.54 2 S 39 Phi Psi ; 47 1 52 16 parsed_2kkr 1 10 "L 40 Phi Psi" 57 1 57 16 parsed_2kkr 1 11 "T 41 Phi Psi" 62 1 62 16 parsed_2kkr 1 12 "Changed error to 15 instead of 6.98 from TALOS BK 250609" 65 1 65 59 parsed_2kkr 1 13 "Q 42 Phi Psi Note errors changed to 15. originaly <10.0 BK" 68 1 68 63 parsed_2kkr 1 14 "R 43 Phi Psi" 73 1 73 16 parsed_2kkr 1 15 "R 44 Phi Psi" 78 1 78 16 parsed_2kkr 1 16 ; A 45 Phi Psi assign (resid 44 and name C ) (resid 45 and name N) (resid 45 and name CA) (resid 45 and name C) 1.0 -93.22 30.52 2 assign (resid 45 and name N) (resid 45 and name CA) (resid 45 and name C) (resid 46 and name N) 1.0 -6.52 31.84 2 V 46 Phi Psi ; 83 1 88 16 parsed_2kkr 1 17 "K 51 Phi Psi" 93 1 93 16 parsed_2kkr 1 18 "R 52 Phi Psi" 98 1 98 16 parsed_2kkr 1 19 "F 53 Phi Psi" 103 1 103 16 parsed_2kkr 1 20 "D 54 Phi Psi" 108 1 108 16 parsed_2kkr 1 21 "V 55 Phi Psi" 113 1 113 16 parsed_2kkr 1 22 "L 56 Phi Psi" 118 1 118 16 parsed_2kkr 1 23 "L 57 Phi Psi" 123 1 123 16 parsed_2kkr 1 24 "A 58 Phi Psi" 128 1 128 16 parsed_2kkr 1 25 "E 59 Phi Psi" 133 1 133 16 parsed_2kkr 1 26 "H 60 Phi Psi" 138 1 138 16 parsed_2kkr 1 27 "K 61 Phi Psi" 143 1 143 16 parsed_2kkr 1 28 "N 62 Phi Psi" 148 1 148 16 parsed_2kkr 1 29 "K 63 Phi Psi" 153 1 153 16 parsed_2kkr 1 30 "R 65 Phi Psi" 158 1 158 16 parsed_2kkr 1 stop_ save_
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