################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51142 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name H3-145-H2AK119ub-25KCl_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51142 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51142 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ARG H H 1 8.7000 0.0000 . 1 . . . . . 2 ARG H . 51142 1 2 . 1 . 1 2 2 ARG N N 15 121.0060 0.0000 . 1 . . . . . 2 ARG N . 51142 1 3 . 1 . 1 3 3 THR H H 1 8.3620 0.0000 . 1 . . . . . 3 THR H . 51142 1 4 . 1 . 1 3 3 THR N N 15 116.9320 0.0000 . 1 . . . . . 3 THR N . 51142 1 5 . 1 . 1 4 4 LYS H H 1 8.5260 0.0000 . 1 . . . . . 4 LYS H . 51142 1 6 . 1 . 1 4 4 LYS N N 15 124.2770 0.0000 . 1 . . . . . 4 LYS N . 51142 1 7 . 1 . 1 5 5 GLN H H 1 8.5870 0.0000 . 1 . . . . . 5 GLN H . 51142 1 8 . 1 . 1 5 5 GLN N N 15 122.3250 0.0000 . 1 . . . . . 5 GLN N . 51142 1 9 . 1 . 1 6 6 THR H H 1 8.1130 0.0000 . 1 . . . . . 6 THR H . 51142 1 10 . 1 . 1 6 6 THR N N 15 115.5750 0.0000 . 1 . . . . . 6 THR N . 51142 1 11 . 1 . 1 7 7 ALA H H 1 8.3770 0.0000 . 1 . . . . . 7 ALA H . 51142 1 12 . 1 . 1 7 7 ALA N N 15 126.5290 0.0000 . 1 . . . . . 7 ALA N . 51142 1 13 . 1 . 1 8 8 ARG H H 1 8.2980 0.0000 . 1 . . . . . 8 ARG H . 51142 1 14 . 1 . 1 8 8 ARG N N 15 120.6040 0.0000 . 1 . . . . . 8 ARG N . 51142 1 15 . 1 . 1 9 9 LYS H H 1 8.4270 0.0000 . 1 . . . . . 9 LYS H . 51142 1 16 . 1 . 1 9 9 LYS N N 15 123.0080 0.0000 . 1 . . . . . 9 LYS N . 51142 1 17 . 1 . 1 10 10 SER H H 1 8.4400 0.0000 . 1 . . . . . 10 SER H . 51142 1 18 . 1 . 1 10 10 SER N N 15 117.4120 0.0000 . 1 . . . . . 10 SER N . 51142 1 19 . 1 . 1 11 11 THR H H 1 8.2490 0.0000 . 1 . . . . . 11 THR H . 51142 1 20 . 1 . 1 11 11 THR N N 15 115.5970 0.0000 . 1 . . . . . 11 THR N . 51142 1 21 . 1 . 1 12 12 GLY H H 1 8.4540 0.0000 . 1 . . . . . 12 GLY H . 51142 1 22 . 1 . 1 12 12 GLY N N 15 111.3840 0.0000 . 1 . . . . . 12 GLY N . 51142 1 23 . 1 . 1 13 13 GLY H H 1 8.2970 0.0000 . 1 . . . . . 13 GLY H . 51142 1 24 . 1 . 1 13 13 GLY N N 15 109.2390 0.0000 . 1 . . . . . 13 GLY N . 51142 1 25 . 1 . 1 14 14 LYS H H 1 8.1590 0.0000 . 1 . . . . . 14 LYS H . 51142 1 26 . 1 . 1 14 14 LYS N N 15 121.1750 0.0000 . 1 . . . . . 14 LYS N . 51142 1 27 . 1 . 1 15 15 ALA H H 1 8.4240 0.0000 . 1 . . . . . 15 ALA H . 51142 1 28 . 1 . 1 15 15 ALA N N 15 127.1150 0.0000 . 1 . . . . . 15 ALA N . 51142 1 29 . 1 . 1 17 17 ARG H H 1 8.4750 0.0000 . 1 . . . . . 17 ARG H . 51142 1 30 . 1 . 1 17 17 ARG N N 15 121.7680 0.0000 . 1 . . . . . 17 ARG N . 51142 1 31 . 1 . 1 18 18 LYS H H 1 8.4530 0.0000 . 1 . . . . . 18 LYS H . 51142 1 32 . 1 . 1 18 18 LYS N N 15 123.0090 0.0000 . 1 . . . . . 18 LYS N . 51142 1 33 . 1 . 1 19 19 GLN H H 1 8.4060 0.0000 . 1 . . . . . 19 GLN H . 51142 1 34 . 1 . 1 19 19 GLN N N 15 121.6840 0.0000 . 1 . . . . . 19 GLN N . 51142 1 35 . 1 . 1 21 21 ALA H H 1 8.3540 0.0000 . 1 . . . . . 21 ALA H . 51142 1 36 . 1 . 1 21 21 ALA N N 15 124.6300 0.0000 . 1 . . . . . 21 ALA N . 51142 1 37 . 1 . 1 22 22 THR H H 1 8.0390 0.0000 . 1 . . . . . 22 THR H . 51142 1 38 . 1 . 1 22 22 THR N N 15 113.6970 0.0000 . 1 . . . . . 22 THR N . 51142 1 39 . 1 . 1 23 23 LYS H H 1 8.2480 0.0000 . 1 . . . . . 23 LYS H . 51142 1 40 . 1 . 1 23 23 LYS N N 15 123.5600 0.0000 . 1 . . . . . 23 LYS N . 51142 1 41 . 1 . 1 24 24 ALA H H 1 8.2430 0.0000 . 1 . . . . . 24 ALA H . 51142 1 42 . 1 . 1 24 24 ALA N N 15 124.4850 0.0000 . 1 . . . . . 24 ALA N . 51142 1 43 . 1 . 1 25 25 ALA H H 1 8.1430 0.0000 . 1 . . . . . 25 ALA H . 51142 1 44 . 1 . 1 25 25 ALA N N 15 122.9960 0.0000 . 1 . . . . . 25 ALA N . 51142 1 45 . 1 . 1 26 26 ARG H H 1 8.1410 0.0000 . 1 . . . . . 26 ARG H . 51142 1 46 . 1 . 1 26 26 ARG N N 15 120.0790 0.0000 . 1 . . . . . 26 ARG N . 51142 1 47 . 1 . 1 27 27 LYS H H 1 8.2300 0.0000 . 1 . . . . . 27 LYS H . 51142 1 48 . 1 . 1 27 27 LYS N N 15 122.1630 0.0000 . 1 . . . . . 27 LYS N . 51142 1 49 . 1 . 1 28 28 SER H H 1 8.1800 0.0000 . 1 . . . . . 28 SER H . 51142 1 50 . 1 . 1 28 28 SER N N 15 116.7810 0.0000 . 1 . . . . . 28 SER N . 51142 1 51 . 1 . 1 29 29 ALA H H 1 8.2190 0.0000 . 1 . . . . . 29 ALA H . 51142 1 52 . 1 . 1 29 29 ALA N N 15 127.2330 0.0000 . 1 . . . . . 29 ALA N . 51142 1 53 . 1 . 1 31 31 ALA H H 1 8.5160 0.0000 . 1 . . . . . 31 ALA H . 51142 1 54 . 1 . 1 31 31 ALA N N 15 124.7670 0.0000 . 1 . . . . . 31 ALA N . 51142 1 55 . 1 . 1 32 32 THR H H 1 8.0700 0.0000 . 1 . . . . . 32 THR H . 51142 1 56 . 1 . 1 32 32 THR N N 15 112.5800 0.0000 . 1 . . . . . 32 THR N . 51142 1 57 . 1 . 1 33 33 GLY H H 1 8.3740 0.0000 . 1 . . . . . 33 GLY H . 51142 1 58 . 1 . 1 33 33 GLY N N 15 111.3860 0.0000 . 1 . . . . . 33 GLY N . 51142 1 59 . 1 . 1 34 34 GLY H H 1 8.2120 0.0000 . 1 . . . . . 34 GLY H . 51142 1 60 . 1 . 1 34 34 GLY N N 15 109.2050 0.0000 . 1 . . . . . 34 GLY N . 51142 1 61 . 1 . 1 35 35 VAL H H 1 8.0280 0.0000 . 1 . . . . . 35 VAL H . 51142 1 62 . 1 . 1 35 35 VAL N N 15 119.8960 0.0000 . 1 . . . . . 35 VAL N . 51142 1 63 . 1 . 1 36 36 LYS H H 1 8.3690 0.0000 . 1 . . . . . 36 LYS H . 51142 1 64 . 1 . 1 36 36 LYS N N 15 126.4060 0.0000 . 1 . . . . . 36 LYS N . 51142 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51142 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name H3-145-H2AK119ub-25KCl_2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51142 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51142 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ARG H H 1 8.7820 0.0000 . 1 . . . . . 2 ARG H . 51142 2 2 . 1 . 1 2 2 ARG N N 15 121.0630 0.0000 . 1 . . . . . 2 ARG N . 51142 2 3 . 1 . 1 3 3 THR H H 1 8.3780 0.0000 . 1 . . . . . 3 THR H . 51142 2 4 . 1 . 1 3 3 THR N N 15 116.9770 0.0000 . 1 . . . . . 3 THR N . 51142 2 5 . 1 . 1 5 5 GLN H H 1 8.6100 0.0000 . 1 . . . . . 5 GLN H . 51142 2 6 . 1 . 1 5 5 GLN N N 15 122.4290 0.0000 . 1 . . . . . 5 GLN N . 51142 2 7 . 1 . 1 6 6 THR H H 1 8.1250 0.0000 . 1 . . . . . 6 THR H . 51142 2 8 . 1 . 1 6 6 THR N N 15 115.6060 0.0000 . 1 . . . . . 6 THR N . 51142 2 9 . 1 . 1 7 7 ALA N N 15 126.5290 0.0000 . 1 . . . . . 7 ALA N . 51142 2 10 . 1 . 1 15 15 ALA H H 1 8.4330 0.0000 . 1 . . . . . 15 ALA H . 51142 2 11 . 1 . 1 15 15 ALA N N 15 127.1650 0.0000 . 1 . . . . . 15 ALA N . 51142 2 12 . 1 . 1 17 17 ARG H H 1 8.4850 0.0000 . 1 . . . . . 17 ARG H . 51142 2 13 . 1 . 1 17 17 ARG N N 15 121.8160 0.0000 . 1 . . . . . 17 ARG N . 51142 2 14 . 1 . 1 19 19 GLN H H 1 8.4250 0.0000 . 1 . . . . . 19 GLN H . 51142 2 15 . 1 . 1 19 19 GLN N N 15 121.7860 0.0000 . 1 . . . . . 19 GLN N . 51142 2 16 . 1 . 1 27 27 LYS H H 1 8.2550 0.0000 . 1 . . . . . 27 LYS H . 51142 2 17 . 1 . 1 27 27 LYS N N 15 122.2330 0.0000 . 1 . . . . . 27 LYS N . 51142 2 18 . 1 . 1 32 32 THR H H 1 8.1210 0.0000 . 1 . . . . . 32 THR H . 51142 2 19 . 1 . 1 32 32 THR N N 15 113.0530 0.0000 . 1 . . . . . 32 THR N . 51142 2 stop_ save_