data_chem_shift_completeness_list ############################################ # Completeness of Assigned Chemical Shifts # ############################################ ################################################################### # Excluded atoms in calculation of completeness are listed below. # # https://bmrbpub.pdbj.org/archive/cs_complete/excluded_atoms.str # ################################################################### save_chem_shift_completeness_list_1 _Chem_shift_completeness_list.Sf_category chem_shift_completeness_list _Chem_shift_completeness_list.Queried_date 2020-07-23 _Chem_shift_completeness_list.Assigned_residue_coverage 1.000 _Chem_shift_completeness_list.Chem_shift_fraction 328/366 _Chem_shift_completeness_list.Chem_shift_1H_fraction 207/208 _Chem_shift_completeness_list.Chem_shift_13C_fraction 121/158 _Chem_shift_completeness_list.Bb_chem_shift_fraction 123/154 _Chem_shift_completeness_list.Bb_chem_shift_1H_fraction 61/62 _Chem_shift_completeness_list.Bb_chem_shift_13C_fraction 62/92 _Chem_shift_completeness_list.Sc_chem_shift_fraction 235/242 _Chem_shift_completeness_list.Sc_chem_shift_1H_fraction 146/146 _Chem_shift_completeness_list.Sc_chem_shift_13C_fraction 89/96 _Chem_shift_completeness_list.Arom_chem_shift_fraction 54/54 _Chem_shift_completeness_list.Arom_chem_shift_1H_fraction 29/29 _Chem_shift_completeness_list.Arom_chem_shift_13C_fraction 25/25 _Chem_shift_completeness_list.Methyl_chem_shift_fraction 29/36 _Chem_shift_completeness_list.Methyl_chem_shift_1H_fraction 18/18 _Chem_shift_completeness_list.Methyl_chem_shift_13C_fraction 11/18 _Chem_shift_completeness_list.Entity_polymer_type polypeptide(L) _Chem_shift_completeness_list.Entry_ID 5978 _Chem_shift_completeness_list.Assigned_chem_shift_list_ID 1 loop_ _Chem_shift_completeness_char.Entity_assembly_ID _Chem_shift_completeness_char.Entity_ID _Chem_shift_completeness_char.Comp_index_ID _Chem_shift_completeness_char.Comp_ID _Chem_shift_completeness_char.Chem_shift_coverage _Chem_shift_completeness_char.Chem_shift_1H_coverage _Chem_shift_completeness_char.Chem_shift_13C_coverage _Chem_shift_completeness_char.Bb_chem_shift_coverage _Chem_shift_completeness_char.Bb_chem_shift_1H_coverage _Chem_shift_completeness_char.Bb_chem_shift_13C_coverage _Chem_shift_completeness_char.Sc_chem_shift_coverage _Chem_shift_completeness_char.Sc_chem_shift_1H_coverage _Chem_shift_completeness_char.Sc_chem_shift_13C_coverage _Chem_shift_completeness_char.Arom_chem_shift_coverage _Chem_shift_completeness_char.Arom_chem_shift_1H_coverage _Chem_shift_completeness_char.Arom_chem_shift_13C_coverage _Chem_shift_completeness_char.Methyl_chem_shift_coverage _Chem_shift_completeness_char.Methyl_chem_shift_1H_coverage _Chem_shift_completeness_char.Methyl_chem_shift_13C_coverage _Chem_shift_completeness_char.Entry_ID _Chem_shift_completeness_char.Assigned_chem_shift_list_ID 1 1 1 SER 0.714 0.750 0.667 0.600 0.500 0.667 1.000 1.000 1.000 . . . . . . 5978 1 1 1 2 GLY 0.800 1.000 0.500 0.800 1.000 0.500 . . . . . . . . . 5978 1 1 1 3 SER 0.857 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 1 1 1 4 TRP 0.944 1.000 0.875 0.800 1.000 0.667 1.000 1.000 1.000 1.000 1.000 1.000 . . . 5978 1 1 1 5 LEU 0.846 1.000 0.667 0.800 1.000 0.667 0.889 1.000 0.750 . . . 0.750 1.000 0.500 5978 1 1 1 6 ARG 0.929 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 1 1 1 7 ASP 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 . . . . . . 5978 1 1 1 8 ILE 0.923 1.000 0.833 0.800 1.000 0.667 1.000 1.000 1.000 . . . 1.000 1.000 1.000 5978 1 1 1 9 TRP 0.944 1.000 0.875 0.800 1.000 0.667 1.000 1.000 1.000 1.000 1.000 1.000 . . . 5978 1 1 1 10 ASP 0.857 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 1 1 1 11 TRP 0.944 1.000 0.875 0.800 1.000 0.667 1.000 1.000 1.000 1.000 1.000 1.000 . . . 5978 1 1 1 12 ILE 0.923 1.000 0.833 0.800 1.000 0.667 1.000 1.000 1.000 . . . 1.000 1.000 1.000 5978 1 1 1 13 CYS 0.857 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 1 1 1 14 GLU 0.900 1.000 0.750 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 1 1 1 15 VAL 0.900 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . 1.000 1.000 1.000 5978 1 1 1 16 LEU 0.769 1.000 0.500 0.800 1.000 0.667 0.778 1.000 0.500 . . . 0.500 1.000 0.000 5978 1 1 1 17 SER 0.857 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 1 1 1 18 ASP 0.857 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 1 1 1 19 PHE 0.941 1.000 0.875 0.800 1.000 0.667 1.000 1.000 1.000 1.000 1.000 1.000 . . . 5978 1 1 1 20 LYS 0.938 1.000 0.833 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 1 1 1 21 THR 0.875 1.000 0.750 0.800 1.000 0.667 1.000 1.000 1.000 . . . 1.000 1.000 1.000 5978 1 1 1 22 TRP 0.944 1.000 0.875 0.800 1.000 0.667 1.000 1.000 1.000 1.000 1.000 1.000 . . . 5978 1 1 1 23 LEU 0.769 1.000 0.500 0.800 1.000 0.667 0.778 1.000 0.500 . . . 0.500 1.000 0.000 5978 1 1 1 24 LYS 0.938 1.000 0.833 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 1 1 1 25 ALA 0.833 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . 1.000 1.000 1.000 5978 1 1 1 26 LYS 0.938 1.000 0.833 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 1 1 1 27 LEU 0.769 1.000 0.500 0.800 1.000 0.667 0.778 1.000 0.500 . . . 0.500 1.000 0.000 5978 1 1 1 28 MET 0.917 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 1 1 1 29 PRO 0.917 1.000 0.800 0.750 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 1 1 1 30 GLN 0.917 1.000 0.750 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 1 1 1 31 LEU 0.923 1.000 0.833 0.800 1.000 0.667 1.000 1.000 1.000 . . . 1.000 1.000 1.000 5978 1 stop_ save_ save_chem_shift_completeness_list_2 _Chem_shift_completeness_list.Sf_category chem_shift_completeness_list _Chem_shift_completeness_list.Queried_date 2020-07-23 _Chem_shift_completeness_list.Assigned_residue_coverage 1.000 _Chem_shift_completeness_list.Chem_shift_fraction 630/732 _Chem_shift_completeness_list.Chem_shift_1H_fraction 405/416 _Chem_shift_completeness_list.Chem_shift_13C_fraction 225/316 _Chem_shift_completeness_list.Bb_chem_shift_fraction 244/308 _Chem_shift_completeness_list.Bb_chem_shift_1H_fraction 119/124 _Chem_shift_completeness_list.Bb_chem_shift_13C_fraction 125/184 _Chem_shift_completeness_list.Sc_chem_shift_fraction 445/484 _Chem_shift_completeness_list.Sc_chem_shift_1H_fraction 286/292 _Chem_shift_completeness_list.Sc_chem_shift_13C_fraction 159/192 _Chem_shift_completeness_list.Arom_chem_shift_fraction 100/108 _Chem_shift_completeness_list.Arom_chem_shift_1H_fraction 54/58 _Chem_shift_completeness_list.Arom_chem_shift_13C_fraction 46/50 _Chem_shift_completeness_list.Methyl_chem_shift_fraction 55/72 _Chem_shift_completeness_list.Methyl_chem_shift_1H_fraction 36/36 _Chem_shift_completeness_list.Methyl_chem_shift_13C_fraction 19/36 _Chem_shift_completeness_list.Entity_polymer_type polypeptide(L) _Chem_shift_completeness_list.Entry_ID 5978 _Chem_shift_completeness_list.Assigned_chem_shift_list_ID 2 loop_ _Chem_shift_completeness_char.Entity_assembly_ID _Chem_shift_completeness_char.Entity_ID _Chem_shift_completeness_char.Comp_index_ID _Chem_shift_completeness_char.Comp_ID _Chem_shift_completeness_char.Chem_shift_coverage _Chem_shift_completeness_char.Chem_shift_1H_coverage _Chem_shift_completeness_char.Chem_shift_13C_coverage _Chem_shift_completeness_char.Bb_chem_shift_coverage _Chem_shift_completeness_char.Bb_chem_shift_1H_coverage _Chem_shift_completeness_char.Bb_chem_shift_13C_coverage _Chem_shift_completeness_char.Sc_chem_shift_coverage _Chem_shift_completeness_char.Sc_chem_shift_1H_coverage _Chem_shift_completeness_char.Sc_chem_shift_13C_coverage _Chem_shift_completeness_char.Arom_chem_shift_coverage _Chem_shift_completeness_char.Arom_chem_shift_1H_coverage _Chem_shift_completeness_char.Arom_chem_shift_13C_coverage _Chem_shift_completeness_char.Methyl_chem_shift_coverage _Chem_shift_completeness_char.Methyl_chem_shift_1H_coverage _Chem_shift_completeness_char.Methyl_chem_shift_13C_coverage _Chem_shift_completeness_char.Entry_ID _Chem_shift_completeness_char.Assigned_chem_shift_list_ID 1 1 1 SER 0.429 0.500 0.333 0.200 0.000 0.333 0.667 1.000 0.000 . . . . . . 5978 2 1 1 2 GLY 0.600 0.667 0.500 0.600 0.667 0.500 . . . . . . . . . 5978 2 1 1 3 SER 0.857 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 2 1 1 4 TRP 0.722 0.800 0.625 0.800 1.000 0.667 0.714 0.750 0.667 0.636 0.667 0.600 . . . 5978 2 1 1 5 LEU 0.692 1.000 0.333 0.800 1.000 0.667 0.667 1.000 0.250 . . . 0.500 1.000 0.000 5978 2 1 1 6 ARG 0.857 0.889 0.800 0.800 1.000 0.667 0.900 0.857 1.000 . . . . . . 5978 2 1 1 7 ASP 0.857 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 2 1 1 8 ILE 0.846 1.000 0.667 0.800 1.000 0.667 0.889 1.000 0.750 . . . 1.000 1.000 1.000 5978 2 1 1 9 TRP 0.833 0.900 0.750 0.800 1.000 0.667 0.857 0.875 0.833 0.818 0.833 0.800 . . . 5978 2 1 1 10 ASP 0.857 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 2 1 1 11 TRP 0.833 0.900 0.750 0.800 1.000 0.667 0.857 0.875 0.833 0.818 0.833 0.800 . . . 5978 2 1 1 12 ILE 0.846 1.000 0.667 0.800 1.000 0.667 0.889 1.000 0.750 . . . 1.000 1.000 1.000 5978 2 1 1 13 CYS 0.857 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 2 1 1 14 GLU 0.900 1.000 0.750 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 2 1 1 15 VAL 0.900 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . 1.000 1.000 1.000 5978 2 1 1 16 LEU 0.692 1.000 0.333 0.800 1.000 0.667 0.667 1.000 0.250 . . . 0.500 1.000 0.000 5978 2 1 1 17 SER 0.857 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 2 1 1 18 ASP 0.714 0.750 0.667 0.600 0.500 0.667 1.000 1.000 1.000 . . . . . . 5978 2 1 1 19 PHE 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 . . . 5978 2 1 1 20 LYS 0.938 1.000 0.833 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 2 1 1 21 THR 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 . . . 1.000 1.000 1.000 5978 2 1 1 22 TRP 0.944 1.000 0.875 0.800 1.000 0.667 1.000 1.000 1.000 1.000 1.000 1.000 . . . 5978 2 1 1 23 LEU 0.769 1.000 0.500 0.800 1.000 0.667 0.778 1.000 0.500 . . . 0.500 1.000 0.000 5978 2 1 1 24 LYS 0.813 1.000 0.500 0.800 1.000 0.667 0.833 1.000 0.500 . . . . . . 5978 2 1 1 25 ALA 0.833 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . 1.000 1.000 1.000 5978 2 1 1 26 LYS 0.750 1.000 0.333 0.800 1.000 0.667 0.750 1.000 0.250 . . . . . . 5978 2 1 1 27 LEU 0.692 1.000 0.333 0.800 1.000 0.667 0.667 1.000 0.250 . . . 0.500 1.000 0.000 5978 2 1 1 28 MET 0.833 0.857 0.800 0.800 1.000 0.667 0.875 0.800 1.000 . . . . . . 5978 2 1 1 29 PRO 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 . . . . . . 5978 2 1 1 30 GLN 0.917 1.000 0.750 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 5978 2 1 1 31 LEU 0.692 1.000 0.333 0.800 1.000 0.667 0.667 1.000 0.250 . . . 0.500 1.000 0.000 5978 2 stop_ save_ save_chem_shift_completeness_list_3 _Chem_shift_completeness_list.Sf_category chem_shift_completeness_list _Chem_shift_completeness_list.Queried_date 2020-07-23 _Chem_shift_completeness_list.Assigned_residue_coverage 0.968 _Chem_shift_completeness_list.Chem_shift_fraction 844/1098 _Chem_shift_completeness_list.Chem_shift_1H_fraction 595/624 _Chem_shift_completeness_list.Chem_shift_13C_fraction 249/474 _Chem_shift_completeness_list.Bb_chem_shift_fraction 317/462 _Chem_shift_completeness_list.Bb_chem_shift_1H_fraction 177/186 _Chem_shift_completeness_list.Bb_chem_shift_13C_fraction 140/276 _Chem_shift_completeness_list.Sc_chem_shift_fraction 591/726 _Chem_shift_completeness_list.Sc_chem_shift_1H_fraction 418/438 _Chem_shift_completeness_list.Sc_chem_shift_13C_fraction 173/288 _Chem_shift_completeness_list.Arom_chem_shift_fraction 120/162 _Chem_shift_completeness_list.Arom_chem_shift_1H_fraction 74/87 _Chem_shift_completeness_list.Arom_chem_shift_13C_fraction 46/75 _Chem_shift_completeness_list.Methyl_chem_shift_fraction 79/108 _Chem_shift_completeness_list.Methyl_chem_shift_1H_fraction 54/54 _Chem_shift_completeness_list.Methyl_chem_shift_13C_fraction 25/54 _Chem_shift_completeness_list.Entity_polymer_type polypeptide(L) _Chem_shift_completeness_list.Entry_ID 5978 _Chem_shift_completeness_list.Assigned_chem_shift_list_ID 3 loop_ _Chem_shift_completeness_char.Entity_assembly_ID _Chem_shift_completeness_char.Entity_ID _Chem_shift_completeness_char.Comp_index_ID _Chem_shift_completeness_char.Comp_ID _Chem_shift_completeness_char.Chem_shift_coverage _Chem_shift_completeness_char.Chem_shift_1H_coverage _Chem_shift_completeness_char.Chem_shift_13C_coverage _Chem_shift_completeness_char.Bb_chem_shift_coverage _Chem_shift_completeness_char.Bb_chem_shift_1H_coverage _Chem_shift_completeness_char.Bb_chem_shift_13C_coverage _Chem_shift_completeness_char.Sc_chem_shift_coverage _Chem_shift_completeness_char.Sc_chem_shift_1H_coverage _Chem_shift_completeness_char.Sc_chem_shift_13C_coverage _Chem_shift_completeness_char.Arom_chem_shift_coverage _Chem_shift_completeness_char.Arom_chem_shift_1H_coverage _Chem_shift_completeness_char.Arom_chem_shift_13C_coverage _Chem_shift_completeness_char.Methyl_chem_shift_coverage _Chem_shift_completeness_char.Methyl_chem_shift_1H_coverage _Chem_shift_completeness_char.Methyl_chem_shift_13C_coverage _Chem_shift_completeness_char.Entry_ID _Chem_shift_completeness_char.Assigned_chem_shift_list_ID 1 1 1 SER 0.857 0.750 1.000 1.000 1.000 1.000 0.667 0.500 1.000 . . . . . . 5978 3 1 1 2 GLY 0.800 1.000 0.500 0.800 1.000 0.500 . . . . . . . . . 5978 3 1 1 3 SER 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 . . . . . . 5978 3 1 1 4 TRP 0.333 0.600 0.000 0.200 0.500 0.000 0.357 0.625 0.000 0.273 0.500 0.000 . . . 5978 3 1 1 5 LEU 0.538 1.000 0.000 0.400 1.000 0.000 0.556 1.000 0.000 . . . 0.500 1.000 0.000 5978 3 1 1 6 ARG 0.571 0.889 0.000 0.400 1.000 0.000 0.600 0.857 0.000 . . . . . . 5978 3 1 1 7 ASP 0.571 1.000 0.000 0.400 1.000 0.000 0.667 1.000 0.000 . . . . . . 5978 3 1 1 8 ILE 0.538 1.000 0.000 0.400 1.000 0.000 0.556 1.000 0.000 . . . 0.500 1.000 0.000 5978 3 1 1 9 TRP 0.389 0.700 0.000 0.400 1.000 0.000 0.357 0.625 0.000 0.273 0.500 0.000 . . . 5978 3 1 1 10 ASP 0.571 1.000 0.000 0.400 1.000 0.000 0.667 1.000 0.000 . . . . . . 5978 3 1 1 11 TRP 0.500 0.900 0.000 0.400 1.000 0.000 0.500 0.875 0.000 0.455 0.833 0.000 . . . 5978 3 1 1 12 ILE 0.923 1.000 0.833 0.800 1.000 0.667 1.000 1.000 1.000 . . . 1.000 1.000 1.000 5978 3 1 1 13 CYS 0.571 1.000 0.000 0.400 1.000 0.000 0.667 1.000 0.000 . . . . . . 5978 3 1 1 14 GLU 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 . . . . . . 5978 3 1 1 15 VAL 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 . . . 1.000 1.000 1.000 5978 3 1 1 16 LEU 0.538 1.000 0.000 0.400 1.000 0.000 0.556 1.000 0.000 . . . 0.500 1.000 0.000 5978 3 1 1 17 SER 0.571 1.000 0.000 0.400 1.000 0.000 0.667 1.000 0.000 . . . . . . 5978 3 1 1 18 ASP 0.429 0.750 0.000 0.200 0.500 0.000 0.667 1.000 0.000 . . . . . . 5978 3 1 1 19 PHE 0.471 0.889 0.000 0.400 1.000 0.000 0.462 0.857 0.000 0.400 0.800 0.000 . . . 5978 3 1 1 20 LYS 0.625 1.000 0.000 0.400 1.000 0.000 0.667 1.000 0.000 . . . . . . 5978 3 1 1 21 THR 0.500 1.000 0.000 0.400 1.000 0.000 0.500 1.000 0.000 . . . 0.500 1.000 0.000 5978 3 1 1 22 TRP 0.500 0.900 0.000 0.400 1.000 0.000 0.500 0.875 0.000 0.455 0.833 0.000 . . . 5978 3 1 1 23 LEU 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 . . . 1.000 1.000 1.000 5978 3 1 1 24 LYS 0.625 1.000 0.000 0.400 1.000 0.000 0.667 1.000 0.000 . . . . . . 5978 3 1 1 25 ALA 0.500 1.000 0.000 0.400 1.000 0.000 0.500 1.000 0.000 . . . 0.500 1.000 0.000 5978 3 1 1 26 LYS 0.625 1.000 0.000 0.400 1.000 0.000 0.667 1.000 0.000 . . . . . . 5978 3 1 1 27 LEU 0.538 1.000 0.000 0.400 1.000 0.000 0.556 1.000 0.000 . . . 0.500 1.000 0.000 5978 3 1 1 28 MET 0.500 0.857 0.000 0.400 1.000 0.000 0.500 0.800 0.000 . . . . . . 5978 3 1 1 29 PRO 0.583 1.000 0.000 0.250 1.000 0.000 0.667 1.000 0.000 . . . . . . 5978 3 1 1 30 GLN 0.667 1.000 0.000 0.400 1.000 0.000 0.750 1.000 0.000 . . . . . . 5978 3 1 1 31 LEU 0.538 1.000 0.000 0.400 1.000 0.000 0.556 1.000 0.000 . . . 0.500 1.000 0.000 5978 3 stop_ save_