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 2021-08-25 _Chem_shift_completeness_list.Assigned_residue_coverage 0.968 _Chem_shift_completeness_list.Chem_shift_fraction 329/357 _Chem_shift_completeness_list.Chem_shift_1H_fraction 207/207 _Chem_shift_completeness_list.Chem_shift_13C_fraction 122/150 _Chem_shift_completeness_list.Bb_chem_shift_fraction 120/148 _Chem_shift_completeness_list.Bb_chem_shift_1H_fraction 58/58 _Chem_shift_completeness_list.Bb_chem_shift_13C_fraction 62/90 _Chem_shift_completeness_list.Sc_chem_shift_fraction 239/239 _Chem_shift_completeness_list.Sc_chem_shift_1H_fraction 149/149 _Chem_shift_completeness_list.Sc_chem_shift_13C_fraction 90/90 _Chem_shift_completeness_list.Arom_chem_shift_fraction 54/54 _Chem_shift_completeness_list.Arom_chem_shift_1H_fraction 28/28 _Chem_shift_completeness_list.Arom_chem_shift_13C_fraction 26/26 _Chem_shift_completeness_list.Methyl_chem_shift_fraction 28/28 _Chem_shift_completeness_list.Methyl_chem_shift_1H_fraction 14/14 _Chem_shift_completeness_list.Methyl_chem_shift_13C_fraction 14/14 _Chem_shift_completeness_list.Entity_polymer_type polypeptide(L) _Chem_shift_completeness_list.Entry_ID 50486 _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 ARG 0.929 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 1 1 1 2 PRO 0.917 1.000 0.800 0.750 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 1 1 1 3 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 . . . 50486 1 1 1 4 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 50486 1 1 1 5 ARG 0.929 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 1 1 1 6 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 50486 1 1 1 7 GLN 0.917 1.000 0.750 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 1 1 1 8 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 . . . 50486 1 1 1 9 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 . . . 50486 1 1 1 10 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 50486 1 1 1 11 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 50486 1 1 1 12 GLN 0.917 1.000 0.750 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 1 1 1 13 HIS 0.909 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 1.000 1.000 1.000 . . . 50486 1 1 1 14 ILE 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 . . . 1.000 1.000 1.000 50486 1 1 1 15 SER 0.857 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 1 1 1 16 PRO 0.917 1.000 0.800 0.750 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 1 1 1 17 ARG 0.929 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 1 1 1 18 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 50486 1 1 1 19 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 50486 1 1 1 20 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 50486 1 1 1 21 MET 0.917 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 1 1 1 22 ARG 0.929 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 1 1 1 23 ALA 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 . . . 1.000 1.000 1.000 50486 1 1 1 24 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 50486 1 1 1 25 ASN 0.889 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 1 1 1 26 ASN 0.889 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 1 1 1 27 TYR 0.933 1.000 0.857 0.800 1.000 0.667 1.000 1.000 1.000 1.000 1.000 1.000 . . . 50486 1 1 1 28 ARG 0.929 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 1 1 1 29 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 . . . 50486 1 1 1 30 ARG 0.929 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 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 2021-08-25 _Chem_shift_completeness_list.Assigned_residue_coverage 0.968 _Chem_shift_completeness_list.Chem_shift_fraction 653/714 _Chem_shift_completeness_list.Chem_shift_1H_fraction 409/414 _Chem_shift_completeness_list.Chem_shift_13C_fraction 244/300 _Chem_shift_completeness_list.Bb_chem_shift_fraction 239/296 _Chem_shift_completeness_list.Bb_chem_shift_1H_fraction 115/116 _Chem_shift_completeness_list.Bb_chem_shift_13C_fraction 124/180 _Chem_shift_completeness_list.Sc_chem_shift_fraction 474/478 _Chem_shift_completeness_list.Sc_chem_shift_1H_fraction 294/298 _Chem_shift_completeness_list.Sc_chem_shift_13C_fraction 180/180 _Chem_shift_completeness_list.Arom_chem_shift_fraction 108/108 _Chem_shift_completeness_list.Arom_chem_shift_1H_fraction 56/56 _Chem_shift_completeness_list.Arom_chem_shift_13C_fraction 52/52 _Chem_shift_completeness_list.Methyl_chem_shift_fraction 56/56 _Chem_shift_completeness_list.Methyl_chem_shift_1H_fraction 28/28 _Chem_shift_completeness_list.Methyl_chem_shift_13C_fraction 28/28 _Chem_shift_completeness_list.Entity_polymer_type polypeptide(L) _Chem_shift_completeness_list.Entry_ID 50486 _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 ARG 0.857 0.889 0.800 0.600 0.500 0.667 1.000 1.000 1.000 . . . . . . 50486 2 1 1 2 PRO 0.917 1.000 0.800 0.750 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 2 1 1 3 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 . . . 50486 2 1 1 4 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 50486 2 1 1 5 ARG 0.929 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 2 1 1 6 ALA 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 . . . 1.000 1.000 1.000 50486 2 1 1 7 GLN 0.917 1.000 0.750 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 2 1 1 8 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 . . . 50486 2 1 1 9 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 . . . 50486 2 1 1 10 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 50486 2 1 1 11 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 50486 2 1 1 12 GLN 0.917 1.000 0.750 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 2 1 1 13 HIS 0.909 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 1.000 1.000 1.000 . . . 50486 2 1 1 14 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 50486 2 1 1 15 SER 0.714 1.000 0.333 0.600 1.000 0.333 1.000 1.000 1.000 . . . . . . 50486 2 1 1 16 PRO 0.917 1.000 0.800 0.750 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 2 1 1 17 ARG 0.929 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 2 1 1 18 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 50486 2 1 1 19 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 50486 2 1 1 20 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 50486 2 1 1 21 MET 0.917 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 2 1 1 22 ARG 0.929 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 2 1 1 23 ALA 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 . . . 1.000 1.000 1.000 50486 2 1 1 24 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 50486 2 1 1 25 ASN 0.889 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 2 1 1 26 ASN 0.889 1.000 0.667 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 2 1 1 27 TYR 0.933 1.000 0.857 0.800 1.000 0.667 1.000 1.000 1.000 1.000 1.000 1.000 . . . 50486 2 1 1 28 ARG 0.929 1.000 0.800 0.800 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 2 1 1 29 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 . . . 50486 2 1 1 30 ARG 0.643 0.556 0.800 0.800 1.000 0.667 0.600 0.429 1.000 . . . . . . 50486 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 2021-08-25 _Chem_shift_completeness_list.Assigned_residue_coverage 0.968 _Chem_shift_completeness_list.Chem_shift_fraction 870/1071 _Chem_shift_completeness_list.Chem_shift_1H_fraction 537/621 _Chem_shift_completeness_list.Chem_shift_13C_fraction 333/450 _Chem_shift_completeness_list.Bb_chem_shift_fraction 328/444 _Chem_shift_completeness_list.Bb_chem_shift_1H_fraction 147/174 _Chem_shift_completeness_list.Bb_chem_shift_13C_fraction 181/270 _Chem_shift_completeness_list.Sc_chem_shift_fraction 628/717 _Chem_shift_completeness_list.Sc_chem_shift_1H_fraction 390/447 _Chem_shift_completeness_list.Sc_chem_shift_13C_fraction 238/270 _Chem_shift_completeness_list.Arom_chem_shift_fraction 108/162 _Chem_shift_completeness_list.Arom_chem_shift_1H_fraction 56/84 _Chem_shift_completeness_list.Arom_chem_shift_13C_fraction 52/78 _Chem_shift_completeness_list.Methyl_chem_shift_fraction 82/84 _Chem_shift_completeness_list.Methyl_chem_shift_1H_fraction 40/42 _Chem_shift_completeness_list.Methyl_chem_shift_13C_fraction 42/42 _Chem_shift_completeness_list.Entity_polymer_type polypeptide(L) _Chem_shift_completeness_list.Entry_ID 50486 _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 ARG 0.786 0.778 0.800 0.600 0.500 0.667 0.900 0.857 1.000 . . . . . . 50486 3 1 1 2 PRO 0.917 1.000 0.800 0.750 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 3 1 1 3 PHE 0.294 0.333 0.250 0.600 0.500 0.667 0.231 0.286 0.167 0.000 0.000 0.000 . . . 50486 3 1 1 4 THR 0.500 0.500 0.500 0.400 0.500 0.333 0.500 0.500 0.500 . . . 1.000 1.000 1.000 50486 3 1 1 5 ARG 0.786 0.778 0.800 0.600 0.500 0.667 0.900 0.857 1.000 . . . . . . 50486 3 1 1 6 ALA 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 . . . 1.000 1.000 1.000 50486 3 1 1 7 GLN 0.667 0.625 0.750 0.600 0.500 0.667 0.750 0.667 1.000 . . . . . . 50486 3 1 1 8 TRP 0.278 0.300 0.250 0.600 0.500 0.667 0.214 0.250 0.167 0.000 0.000 0.000 . . . 50486 3 1 1 9 PHE 0.294 0.333 0.250 0.600 0.500 0.667 0.231 0.286 0.167 0.000 0.000 0.000 . . . 50486 3 1 1 10 ALA 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 . . . 1.000 1.000 1.000 50486 3 1 1 11 ILE 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 . . . 1.000 1.000 1.000 50486 3 1 1 12 GLN 0.667 0.625 0.750 0.600 0.500 0.667 0.750 0.667 1.000 . . . . . . 50486 3 1 1 13 HIS 0.364 0.500 0.200 0.400 0.500 0.333 0.286 0.500 0.000 0.000 0.000 0.000 . . . 50486 3 1 1 14 ILE 0.231 0.000 0.500 0.000 0.000 0.000 0.333 0.000 0.750 . . . 0.500 0.000 1.000 50486 3 1 1 15 SER 0.571 0.750 0.333 0.400 0.500 0.333 1.000 1.000 1.000 . . . . . . 50486 3 1 1 16 PRO 0.917 1.000 0.800 0.750 1.000 0.667 1.000 1.000 1.000 . . . . . . 50486 3 1 1 17 ARG 0.571 0.556 0.600 0.600 0.500 0.667 0.600 0.571 0.667 . . . . . . 50486 3 1 1 18 THR 0.500 0.500 0.500 0.400 0.500 0.333 0.500 0.500 0.500 . . . 1.000 1.000 1.000 50486 3 1 1 19 ILE 0.846 0.857 0.833 0.600 0.500 0.667 1.000 1.000 1.000 . . . 1.000 1.000 1.000 50486 3 1 1 20 ALA 0.667 0.667 0.667 0.600 0.500 0.667 1.000 1.000 1.000 . . . 1.000 1.000 1.000 50486 3 1 1 21 MET 0.833 0.857 0.800 0.600 0.500 0.667 1.000 1.000 1.000 . . . . . . 50486 3 1 1 22 ARG 0.571 0.556 0.600 0.600 0.500 0.667 0.600 0.571 0.667 . . . . . . 50486 3 1 1 23 ALA 0.667 0.667 0.667 0.600 0.500 0.667 1.000 1.000 1.000 . . . 1.000 1.000 1.000 50486 3 1 1 24 ILE 0.846 0.857 0.833 0.600 0.500 0.667 1.000 1.000 1.000 . . . 1.000 1.000 1.000 50486 3 1 1 25 ASN 0.556 0.500 0.667 0.600 0.500 0.667 0.600 0.500 1.000 . . . . . . 50486 3 1 1 26 ASN 0.556 0.500 0.667 0.600 0.500 0.667 0.600 0.500 1.000 . . . . . . 50486 3 1 1 27 TYR 0.333 0.375 0.286 0.600 0.500 0.667 0.273 0.333 0.200 0.000 0.000 0.000 . . . 50486 3 1 1 28 ARG 0.786 0.778 0.800 0.600 0.500 0.667 0.900 0.857 1.000 . . . . . . 50486 3 1 1 29 TRP 0.278 0.300 0.250 0.600 0.500 0.667 0.214 0.250 0.167 0.000 0.000 0.000 . . . 50486 3 1 1 30 ARG 0.786 0.778 0.800 0.600 0.500 0.667 0.900 0.857 1.000 . . . . . . 50486 3 stop_ save_