################################### # 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 50438 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'H2A_1_145nuc_400 mM KCl' _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' . . . 50438 1 2 '3D HNCA' . . . 50438 1 3 '3D HNCACB' . . . 50438 1 4 '3D HNCO' . . . 50438 1 5 '3D HN(CA)CO' . . . 50438 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 . . 50438 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 PRO C C 13 177.5330 0.0000 . 1 . . . . . -2 PRO C . 50438 1 2 . 1 . 1 2 2 PRO CA C 13 63.0040 0.0000 . 1 . . . . . -2 PRO CA . 50438 1 3 . 1 . 1 2 2 PRO CB C 13 31.4480 0.0000 . 1 . . . . . -2 PRO CB . 50438 1 4 . 1 . 1 3 3 GLY H H 1 8.5690 0.0000 . 1 . . . . . -1 GLY H . 50438 1 5 . 1 . 1 3 3 GLY C C 13 174.3320 0.0000 . 1 . . . . . -1 GLY C . 50438 1 6 . 1 . 1 3 3 GLY CA C 13 44.9260 0.0000 . 1 . . . . . -1 GLY CA . 50438 1 7 . 1 . 1 3 3 GLY N N 15 110.1700 0.0000 . 1 . . . . . -1 GLY N . 50438 1 8 . 1 . 1 4 4 MET H H 1 8.2770 0.0000 . 1 . . . . . 0 MET H . 50438 1 9 . 1 . 1 4 4 MET C C 13 176.6690 0.0000 . 1 . . . . . 0 MET C . 50438 1 10 . 1 . 1 4 4 MET CA C 13 55.2470 0.0000 . 1 . . . . . 0 MET CA . 50438 1 11 . 1 . 1 4 4 MET CB C 13 32.1260 0.0000 . 1 . . . . . 0 MET CB . 50438 1 12 . 1 . 1 4 4 MET N N 15 120.3550 0.0000 . 1 . . . . . 0 MET N . 50438 1 13 . 1 . 1 5 5 SER H H 1 8.3960 0.0000 . 1 . . . . . 1 SER H . 50438 1 14 . 1 . 1 5 5 SER C C 13 175.1570 0.0000 . 1 . . . . . 1 SER C . 50438 1 15 . 1 . 1 5 5 SER CA C 13 58.3890 0.0000 . 1 . . . . . 1 SER CA . 50438 1 16 . 1 . 1 5 5 SER CB C 13 63.4900 0.0000 . 1 . . . . . 1 SER CB . 50438 1 17 . 1 . 1 5 5 SER N N 15 117.4140 0.0000 . 1 . . . . . 1 SER N . 50438 1 18 . 1 . 1 6 6 GLY H H 1 8.4270 0.0000 . 1 . . . . . 2 GLY H . 50438 1 19 . 1 . 1 6 6 GLY C C 13 174.3320 0.0000 . 1 . . . . . 2 GLY C . 50438 1 20 . 1 . 1 6 6 GLY CA C 13 45.0420 0.0000 . 1 . . . . . 2 GLY CA . 50438 1 21 . 1 . 1 6 6 GLY N N 15 111.2230 0.0000 . 1 . . . . . 2 GLY N . 50438 1 22 . 1 . 1 7 7 ARG H H 1 8.1710 0.0000 . 1 . . . . . 3 ARG H . 50438 1 23 . 1 . 1 7 7 ARG C C 13 177.0750 0.0000 . 1 . . . . . 3 ARG C . 50438 1 24 . 1 . 1 7 7 ARG CA C 13 55.8850 0.0000 . 1 . . . . . 3 ARG CA . 50438 1 25 . 1 . 1 7 7 ARG CB C 13 29.8620 0.0000 . 1 . . . . . 3 ARG CB . 50438 1 26 . 1 . 1 7 7 ARG N N 15 120.7130 0.0000 . 1 . . . . . 3 ARG N . 50438 1 27 . 1 . 1 8 8 GLY H H 1 8.4420 0.0000 . 1 . . . . . 4 GLY H . 50438 1 28 . 1 . 1 8 8 GLY C C 13 174.2540 0.0000 . 1 . . . . . 4 GLY C . 50438 1 29 . 1 . 1 8 8 GLY CA C 13 44.6960 0.0000 . 1 . . . . . 4 GLY CA . 50438 1 30 . 1 . 1 8 8 GLY N N 15 110.2390 0.0000 . 1 . . . . . 4 GLY N . 50438 1 31 . 1 . 1 9 9 LYS H H 1 8.2240 0.0000 . 1 . . . . . 5 LYS H . 50438 1 32 . 1 . 1 9 9 LYS C C 13 177.0090 0.0000 . 1 . . . . . 5 LYS C . 50438 1 33 . 1 . 1 9 9 LYS CA C 13 56.0730 0.0000 . 1 . . . . . 5 LYS CA . 50438 1 34 . 1 . 1 9 9 LYS CB C 13 31.9000 0.0000 . 1 . . . . . 5 LYS CB . 50438 1 35 . 1 . 1 9 9 LYS N N 15 121.4660 0.0000 . 1 . . . . . 5 LYS N . 50438 1 36 . 1 . 1 10 10 GLN H H 1 8.5000 0.0000 . 1 . . . . . 6 GLN H . 50438 1 37 . 1 . 1 10 10 GLN C C 13 176.6230 0.0000 . 1 . . . . . 6 GLN C . 50438 1 38 . 1 . 1 10 10 GLN CA C 13 55.6570 0.0000 . 1 . . . . . 6 GLN CA . 50438 1 39 . 1 . 1 10 10 GLN CB C 13 28.3870 0.0000 . 1 . . . . . 6 GLN CB . 50438 1 40 . 1 . 1 10 10 GLN N N 15 121.8660 0.0000 . 1 . . . . . 6 GLN N . 50438 1 41 . 1 . 1 11 11 GLY H H 1 8.3980 0.0000 . 1 . . . . . 7 GLY H . 50438 1 42 . 1 . 1 11 11 GLY C C 13 174.6850 0.0000 . 1 . . . . . 7 GLY C . 50438 1 43 . 1 . 1 11 11 GLY CA C 13 44.9360 0.0000 . 1 . . . . . 7 GLY CA . 50438 1 44 . 1 . 1 11 11 GLY N N 15 110.5860 0.0000 . 1 . . . . . 7 GLY N . 50438 1 45 . 1 . 1 12 12 GLY H H 1 8.2460 0.0000 . 1 . . . . . 8 GLY H . 50438 1 46 . 1 . 1 12 12 GLY C C 13 173.9680 0.0000 . 1 . . . . . 8 GLY C . 50438 1 47 . 1 . 1 12 12 GLY CA C 13 44.8630 0.0000 . 1 . . . . . 8 GLY CA . 50438 1 48 . 1 . 1 12 12 GLY N N 15 109.3000 0.0000 . 1 . . . . . 8 GLY N . 50438 1 49 . 1 . 1 124 124 THR H H 1 8.3430 0.0000 . 1 . . . . . 120 THR H . 50438 1 50 . 1 . 1 124 124 THR C C 13 174.5480 0.0000 . 1 . . . . . 120 THR C . 50438 1 51 . 1 . 1 124 124 THR CA C 13 61.4110 0.0000 . 1 . . . . . 120 THR CA . 50438 1 52 . 1 . 1 124 124 THR CB C 13 69.5110 0.0000 . 1 . . . . . 120 THR CB . 50438 1 53 . 1 . 1 124 124 THR N N 15 117.3150 0.0000 . 1 . . . . . 120 THR N . 50438 1 54 . 1 . 1 125 125 GLU H H 1 8.5300 0.0000 . 1 . . . . . 121 GLU H . 50438 1 55 . 1 . 1 125 125 GLU C C 13 176.3610 0.0000 . 1 . . . . . 121 GLU C . 50438 1 56 . 1 . 1 125 125 GLU CA C 13 55.9500 0.0000 . 1 . . . . . 121 GLU CA . 50438 1 57 . 1 . 1 125 125 GLU CB C 13 29.4480 0.0000 . 1 . . . . . 121 GLU CB . 50438 1 58 . 1 . 1 125 125 GLU N N 15 124.1490 0.0000 . 1 . . . . . 121 GLU N . 50438 1 59 . 1 . 1 126 126 SER H H 1 8.3610 0.0000 . 1 . . . . . 122 SER H . 50438 1 60 . 1 . 1 126 126 SER C C 13 174.4670 0.0000 . 1 . . . . . 122 SER C . 50438 1 61 . 1 . 1 126 126 SER CA C 13 58.0330 0.0000 . 1 . . . . . 122 SER CA . 50438 1 62 . 1 . 1 126 126 SER CB C 13 63.4900 0.0000 . 1 . . . . . 122 SER CB . 50438 1 63 . 1 . 1 126 126 SER N N 15 117.6480 0.0000 . 1 . . . . . 122 SER N . 50438 1 64 . 1 . 1 127 127 HIS H H 1 8.5210 0.0000 . 1 . . . . . 123 HIS H . 50438 1 65 . 1 . 1 127 127 HIS C C 13 174.3780 0.0000 . 1 . . . . . 123 HIS C . 50438 1 66 . 1 . 1 127 127 HIS CA C 13 55.3790 0.0000 . 1 . . . . . 123 HIS CA . 50438 1 67 . 1 . 1 127 127 HIS N N 15 121.2000 0.0000 . 1 . . . . . 123 HIS N . 50438 1 68 . 1 . 1 128 128 HIS H H 1 8.4000 0.0000 . 1 . . . . . 124 HIS H . 50438 1 69 . 1 . 1 128 128 HIS C C 13 174.3390 0.0000 . 1 . . . . . 124 HIS C . 50438 1 70 . 1 . 1 128 128 HIS CA C 13 55.3330 0.0000 . 1 . . . . . 124 HIS CA . 50438 1 71 . 1 . 1 128 128 HIS N N 15 120.2360 0.0000 . 1 . . . . . 124 HIS N . 50438 1 72 . 1 . 1 129 129 LYS H H 1 8.2760 0.0000 . 1 . . . . . 125 LYS H . 50438 1 73 . 1 . 1 129 129 LYS C C 13 176.0730 0.0000 . 1 . . . . . 125 LYS C . 50438 1 74 . 1 . 1 129 129 LYS CA C 13 55.9170 0.0000 . 1 . . . . . 125 LYS CA . 50438 1 75 . 1 . 1 129 129 LYS CB C 13 32.1830 0.0000 . 1 . . . . . 125 LYS CB . 50438 1 76 . 1 . 1 129 129 LYS N N 15 123.5190 0.0000 . 1 . . . . . 125 LYS N . 50438 1 77 . 1 . 1 130 130 ALA H H 1 8.3070 0.0000 . 1 . . . . . 126 ALA H . 50438 1 78 . 1 . 1 130 130 ALA C C 13 177.6380 0.0000 . 1 . . . . . 126 ALA C . 50438 1 79 . 1 . 1 130 130 ALA CA C 13 52.0170 0.0000 . 1 . . . . . 126 ALA CA . 50438 1 80 . 1 . 1 130 130 ALA CB C 13 18.4430 0.0000 . 1 . . . . . 126 ALA CB . 50438 1 81 . 1 . 1 130 130 ALA N N 15 126.1950 0.0000 . 1 . . . . . 126 ALA N . 50438 1 82 . 1 . 1 131 131 LYS H H 1 8.3080 0.0000 . 1 . . . . . 127 LYS H . 50438 1 83 . 1 . 1 131 131 LYS C C 13 177.2450 0.0000 . 1 . . . . . 127 LYS C . 50438 1 84 . 1 . 1 131 131 LYS CA C 13 56.1730 0.0000 . 1 . . . . . 127 LYS CA . 50438 1 85 . 1 . 1 131 131 LYS CB C 13 31.9980 0.0000 . 1 . . . . . 127 LYS CB . 50438 1 86 . 1 . 1 131 131 LYS N N 15 121.4580 0.0000 . 1 . . . . . 127 LYS N . 50438 1 87 . 1 . 1 132 132 GLY H H 1 8.3820 0.0000 . 1 . . . . . 128 GLY H . 50438 1 88 . 1 . 1 132 132 GLY C C 13 173.1720 0.0000 . 1 . . . . . 128 GLY C . 50438 1 89 . 1 . 1 132 132 GLY CA C 13 44.8470 0.0000 . 1 . . . . . 128 GLY CA . 50438 1 90 . 1 . 1 132 132 GLY N N 15 111.2000 0.0000 . 1 . . . . . 128 GLY N . 50438 1 91 . 1 . 1 133 133 LYS H H 1 7.7910 0.0000 . 1 . . . . . 129 LYS H . 50438 1 92 . 1 . 1 133 133 LYS C C 13 181.6050 0.0000 . 1 . . . . . 129 LYS C . 50438 1 93 . 1 . 1 133 133 LYS CA C 13 57.0860 0.0000 . 1 . . . . . 129 LYS CA . 50438 1 94 . 1 . 1 133 133 LYS CB C 13 32.6260 0.0000 . 1 . . . . . 129 LYS CB . 50438 1 95 . 1 . 1 133 133 LYS N N 15 126.2890 0.0000 . 1 . . . . . 129 LYS N . 50438 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 50438 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'H2A_1_145nuc_200 mM KCl' _Assigned_chem_shift_list.Sample_condition_list_ID 4 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4 _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 6 '2D 1H-15N TROSY' . . . 50438 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 . . 50438 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 3 3 GLY H H 1 8.5670 0.0000 . 1 . . . . . -1 GLY H . 50438 2 2 . 1 . 1 3 3 GLY N N 15 110.1200 0.0000 . 1 . . . . . -1 GLY N . 50438 2 3 . 1 . 1 4 4 MET H H 1 8.2670 0.0000 . 1 . . . . . 0 MET H . 50438 2 4 . 1 . 1 4 4 MET N N 15 120.4310 0.0000 . 1 . . . . . 0 MET N . 50438 2 5 . 1 . 1 5 5 SER H H 1 8.3800 0.0000 . 1 . . . . . 1 SER H . 50438 2 6 . 1 . 1 5 5 SER N N 15 117.4550 0.0000 . 1 . . . . . 1 SER N . 50438 2 7 . 1 . 1 6 6 GLY H H 1 8.4190 0.0000 . 1 . . . . . 2 GLY H . 50438 2 8 . 1 . 1 6 6 GLY N N 15 111.1730 0.0000 . 1 . . . . . 2 GLY N . 50438 2 9 . 1 . 1 7 7 ARG H H 1 8.1670 0.0000 . 1 . . . . . 3 ARG H . 50438 2 10 . 1 . 1 7 7 ARG N N 15 120.7460 0.0000 . 1 . . . . . 3 ARG N . 50438 2 11 . 1 . 1 8 8 GLY H H 1 8.4320 0.0000 . 1 . . . . . 4 GLY H . 50438 2 12 . 1 . 1 8 8 GLY N N 15 110.1450 0.0000 . 1 . . . . . 4 GLY N . 50438 2 13 . 1 . 1 9 9 LYS H H 1 8.2140 0.0000 . 1 . . . . . 5 LYS H . 50438 2 14 . 1 . 1 9 9 LYS N N 15 121.4520 0.0000 . 1 . . . . . 5 LYS N . 50438 2 15 . 1 . 1 10 10 GLN H H 1 8.4960 0.0000 . 1 . . . . . 6 GLN H . 50438 2 16 . 1 . 1 10 10 GLN N N 15 121.8840 0.0000 . 1 . . . . . 6 GLN N . 50438 2 17 . 1 . 1 11 11 GLY H H 1 8.3880 0.0000 . 1 . . . . . 7 GLY H . 50438 2 18 . 1 . 1 11 11 GLY N N 15 110.6030 0.0000 . 1 . . . . . 7 GLY N . 50438 2 19 . 1 . 1 12 12 GLY H H 1 8.2440 0.0000 . 1 . . . . . 8 GLY H . 50438 2 20 . 1 . 1 12 12 GLY N N 15 109.2700 0.0000 . 1 . . . . . 8 GLY N . 50438 2 21 . 1 . 1 124 124 THR H H 1 8.3320 0.0000 . 1 . . . . . 120 THR H . 50438 2 22 . 1 . 1 124 124 THR N N 15 117.2100 0.0000 . 1 . . . . . 120 THR N . 50438 2 23 . 1 . 1 125 125 GLU H H 1 8.5110 0.0000 . 1 . . . . . 121 GLU H . 50438 2 24 . 1 . 1 125 125 GLU N N 15 124.0360 0.0000 . 1 . . . . . 121 GLU N . 50438 2 25 . 1 . 1 126 126 SER H H 1 8.3450 0.0000 . 1 . . . . . 122 SER H . 50438 2 26 . 1 . 1 126 126 SER N N 15 117.6300 0.0000 . 1 . . . . . 122 SER N . 50438 2 27 . 1 . 1 127 127 HIS H H 1 8.5310 0.0000 . 1 . . . . . 123 HIS H . 50438 2 28 . 1 . 1 127 127 HIS N N 15 121.0560 0.0000 . 1 . . . . . 123 HIS N . 50438 2 29 . 1 . 1 128 128 HIS H H 1 8.4080 0.0000 . 1 . . . . . 124 HIS H . 50438 2 30 . 1 . 1 128 128 HIS N N 15 120.1250 0.0000 . 1 . . . . . 124 HIS N . 50438 2 31 . 1 . 1 129 129 LYS H H 1 8.2790 0.0000 . 1 . . . . . 125 LYS H . 50438 2 32 . 1 . 1 129 129 LYS N N 15 123.5130 0.0000 . 1 . . . . . 125 LYS N . 50438 2 33 . 1 . 1 130 130 ALA H H 1 8.3090 0.0000 . 1 . . . . . 126 ALA H . 50438 2 34 . 1 . 1 130 130 ALA N N 15 126.2050 0.0000 . 1 . . . . . 126 ALA N . 50438 2 35 . 1 . 1 131 131 LYS H H 1 8.3120 0.0000 . 1 . . . . . 127 LYS H . 50438 2 36 . 1 . 1 131 131 LYS N N 15 121.4570 0.0000 . 1 . . . . . 127 LYS N . 50438 2 37 . 1 . 1 132 132 GLY H H 1 8.3760 0.0000 . 1 . . . . . 128 GLY H . 50438 2 38 . 1 . 1 132 132 GLY N N 15 111.2090 0.0000 . 1 . . . . . 128 GLY N . 50438 2 39 . 1 . 1 133 133 LYS H H 1 7.7770 0.0000 . 1 . . . . . 129 LYS H . 50438 2 40 . 1 . 1 133 133 LYS N N 15 126.2580 0.0000 . 1 . . . . . 129 LYS N . 50438 2 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_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 'H2A_2_145nuc_200 mM KCl' _Assigned_chem_shift_list.Sample_condition_list_ID 4 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4 _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 6 '2D 1H-15N TROSY' . . . 50438 3 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 . . 50438 3 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 6 6 GLY H H 1 8.4400 0.0000 . 1 . . . . . 2 GLY H . 50438 3 2 . 1 . 1 6 6 GLY N N 15 111.2380 0.0000 . 1 . . . . . 2 GLY N . 50438 3 3 . 1 . 1 8 8 GLY H H 1 8.4520 0.0000 . 1 . . . . . 4 GLY H . 50438 3 4 . 1 . 1 8 8 GLY N N 15 110.2820 0.0000 . 1 . . . . . 4 GLY N . 50438 3 5 . 1 . 1 10 10 GLN H H 1 8.5000 0.0000 . 1 . . . . . 6 GLN H . 50438 3 6 . 1 . 1 10 10 GLN N N 15 121.9450 0.0000 . 1 . . . . . 6 GLN N . 50438 3 7 . 1 . 1 11 11 GLY H H 1 8.4170 0.0000 . 1 . . . . . 7 GLY H . 50438 3 8 . 1 . 1 11 11 GLY N N 15 110.6570 0.0000 . 1 . . . . . 7 GLY N . 50438 3 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_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name 'H2B_145nuc_200 mM KCl' _Assigned_chem_shift_list.Sample_condition_list_ID 4 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4 _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 6 '2D 1H-15N TROSY' . . . 50438 4 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 . . 50438 4 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 . 2 . 2 3 3 GLY H H 1 8.5440 0.0000 . 1 . . . . . -1 GLY H . 50438 4 2 . 2 . 2 3 3 GLY N N 15 110.3620 0.0000 . 1 . . . . . -1 GLY N . 50438 4 3 . 2 . 2 4 4 MET H H 1 8.1040 0.0000 . 1 . . . . . 0 MET H . 50438 4 4 . 2 . 2 4 4 MET N N 15 121.4790 0.0000 . 1 . . . . . 0 MET N . 50438 4 5 . 2 . 2 6 6 GLU H H 1 8.4340 0.0000 . 1 . . . . . 2 GLU H . 50438 4 6 . 2 . 2 6 6 GLU N N 15 123.0550 0.0000 . 1 . . . . . 2 GLU N . 50438 4 7 . 2 . 2 8 8 ALA H H 1 8.3590 0.0000 . 1 . . . . . 4 ALA H . 50438 4 8 . 2 . 2 8 8 ALA N N 15 124.4830 0.0000 . 1 . . . . . 4 ALA N . 50438 4 9 . 2 . 2 9 9 LYS H H 1 8.2760 0.0000 . 1 . . . . . 5 LYS H . 50438 4 10 . 2 . 2 9 9 LYS N N 15 121.2310 0.0000 . 1 . . . . . 5 LYS N . 50438 4 11 . 2 . 2 10 10 SER H H 1 8.2210 0.0000 . 1 . . . . . 6 SER H . 50438 4 12 . 2 . 2 10 10 SER N N 15 117.5060 0.0000 . 1 . . . . . 6 SER N . 50438 4 13 . 2 . 2 11 11 ALA H H 1 8.2700 0.0000 . 1 . . . . . 7 ALA H . 50438 4 14 . 2 . 2 11 11 ALA N N 15 127.4810 0.0000 . 1 . . . . . 7 ALA N . 50438 4 15 . 2 . 2 13 13 ALA H H 1 8.3630 0.0000 . 1 . . . . . 9 ALA H . 50438 4 16 . 2 . 2 13 13 ALA N N 15 126.2110 0.0000 . 1 . . . . . 9 ALA N . 50438 4 17 . 2 . 2 15 15 LYS H H 1 8.3950 0.0000 . 1 . . . . . 11 LYS H . 50438 4 18 . 2 . 2 15 15 LYS N N 15 122.4710 0.0000 . 1 . . . . . 11 LYS N . 50438 4 19 . 2 . 2 16 16 LYS H H 1 8.4120 0.0000 . 1 . . . . . 12 LYS H . 50438 4 20 . 2 . 2 16 16 LYS N N 15 123.7850 0.0000 . 1 . . . . . 12 LYS N . 50438 4 21 . 2 . 2 17 17 GLY H H 1 8.4740 0.0000 . 1 . . . . . 13 GLY H . 50438 4 22 . 2 . 2 17 17 GLY N N 15 111.1220 0.0000 . 1 . . . . . 13 GLY N . 50438 4 23 . 2 . 2 18 18 SER H H 1 8.1670 0.0000 . 1 . . . . . 14 SER H . 50438 4 24 . 2 . 2 18 18 SER N N 15 116.1260 0.0000 . 1 . . . . . 14 SER N . 50438 4 25 . 2 . 2 19 19 LYS H H 1 8.4260 0.0000 . 1 . . . . . 15 LYS H . 50438 4 26 . 2 . 2 19 19 LYS N N 15 123.9690 0.0000 . 1 . . . . . 15 LYS N . 50438 4 27 . 2 . 2 20 20 LYS H H 1 8.2770 0.0000 . 1 . . . . . 16 LYS H . 50438 4 28 . 2 . 2 20 20 LYS N N 15 123.2830 0.0000 . 1 . . . . . 16 LYS N . 50438 4 29 . 2 . 2 21 21 ALA H H 1 8.3010 0.0000 . 1 . . . . . 17 ALA H . 50438 4 30 . 2 . 2 21 21 ALA N N 15 126.1390 0.0000 . 1 . . . . . 17 ALA N . 50438 4 31 . 2 . 2 22 22 VAL H H 1 8.1520 0.0000 . 1 . . . . . 18 VAL H . 50438 4 32 . 2 . 2 22 22 VAL N N 15 120.4640 0.0000 . 1 . . . . . 18 VAL N . 50438 4 33 . 2 . 2 23 23 THR H H 1 8.2040 0.0000 . 1 . . . . . 19 THR H . 50438 4 34 . 2 . 2 23 23 THR N N 15 119.0190 0.0000 . 1 . . . . . 19 THR N . 50438 4 35 . 2 . 2 24 24 LYS H H 1 8.3540 0.0000 . 1 . . . . . 20 LYS H . 50438 4 36 . 2 . 2 24 24 LYS N N 15 124.5250 0.0000 . 1 . . . . . 20 LYS N . 50438 4 37 . 2 . 2 25 25 ALA H H 1 8.2860 0.0000 . 1 . . . . . 21 ALA H . 50438 4 38 . 2 . 2 25 25 ALA N N 15 125.4210 0.0000 . 1 . . . . . 21 ALA N . 50438 4 39 . 2 . 2 26 26 GLN H H 1 8.2740 0.0000 . 1 . . . . . 22 GLN H . 50438 4 40 . 2 . 2 26 26 GLN N N 15 120.2170 0.0000 . 1 . . . . . 22 GLN N . 50438 4 41 . 2 . 2 27 27 LYS H H 1 8.3320 0.0000 . 1 . . . . . 23 LYS H . 50438 4 42 . 2 . 2 27 27 LYS N N 15 123.5580 0.0000 . 1 . . . . . 23 LYS N . 50438 4 43 . 2 . 2 28 28 LYS H H 1 8.4490 0.0000 . 1 . . . . . 24 LYS H . 50438 4 44 . 2 . 2 28 28 LYS N N 15 123.4910 0.0000 . 1 . . . . . 24 LYS N . 50438 4 45 . 2 . 2 29 29 ASP H H 1 8.2830 0.0000 . 1 . . . . . 25 ASP H . 50438 4 46 . 2 . 2 29 29 ASP N N 15 121.4400 0.0000 . 1 . . . . . 25 ASP N . 50438 4 47 . 2 . 2 30 30 GLY H H 1 8.2340 0.0000 . 1 . . . . . 26 GLY H . 50438 4 48 . 2 . 2 30 30 GLY N N 15 109.4660 0.0000 . 1 . . . . . 26 GLY N . 50438 4 49 . 2 . 2 31 31 LYS H H 1 8.1270 0.0000 . 1 . . . . . 27 LYS H . 50438 4 50 . 2 . 2 31 31 LYS N N 15 121.5810 0.0000 . 1 . . . . . 27 LYS N . 50438 4 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_5 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_5 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Name 'H2A_1_145nuc_100 mM KCl' _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _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 7 '2D 1H-15N TROSY' . . . 50438 5 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 . . 50438 5 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 3 3 GLY H H 1 8.5730 0.0000 . 1 . . . . . -1 GLY H . 50438 5 2 . 1 . 1 3 3 GLY N N 15 110.1170 0.0000 . 1 . . . . . -1 GLY N . 50438 5 3 . 1 . 1 4 4 MET H H 1 8.2660 0.0000 . 1 . . . . . 0 MET H . 50438 5 4 . 1 . 1 4 4 MET N N 15 120.4130 0.0000 . 1 . . . . . 0 MET N . 50438 5 5 . 1 . 1 5 5 SER H H 1 8.3690 0.0000 . 1 . . . . . 1 SER H . 50438 5 6 . 1 . 1 5 5 SER N N 15 117.4040 0.0000 . 1 . . . . . 1 SER N . 50438 5 7 . 1 . 1 6 6 GLY H H 1 8.4240 0.0000 . 1 . . . . . 2 GLY H . 50438 5 8 . 1 . 1 6 6 GLY N N 15 111.1410 0.0000 . 1 . . . . . 2 GLY N . 50438 5 9 . 1 . 1 7 7 ARG H H 1 8.1380 0.0000 . 1 . . . . . 3 ARG H . 50438 5 10 . 1 . 1 7 7 ARG N N 15 120.6320 0.0000 . 1 . . . . . 3 ARG N . 50438 5 11 . 1 . 1 8 8 GLY H H 1 8.4350 0.0000 . 1 . . . . . 4 GLY H . 50438 5 12 . 1 . 1 8 8 GLY N N 15 110.1250 0.0000 . 1 . . . . . 4 GLY N . 50438 5 13 . 1 . 1 9 9 LYS H H 1 8.2040 0.0000 . 1 . . . . . 5 LYS H . 50438 5 14 . 1 . 1 9 9 LYS N N 15 121.4880 0.0000 . 1 . . . . . 5 LYS N . 50438 5 15 . 1 . 1 10 10 GLN H H 1 8.4980 0.0000 . 1 . . . . . 6 GLN H . 50438 5 16 . 1 . 1 10 10 GLN N N 15 121.9010 0.0000 . 1 . . . . . 6 GLN N . 50438 5 17 . 1 . 1 11 11 GLY H H 1 8.3890 0.0000 . 1 . . . . . 7 GLY H . 50438 5 18 . 1 . 1 11 11 GLY N N 15 110.6010 0.0000 . 1 . . . . . 7 GLY N . 50438 5 19 . 1 . 1 12 12 GLY H H 1 8.2530 0.0000 . 1 . . . . . 8 GLY H . 50438 5 20 . 1 . 1 12 12 GLY N N 15 109.2160 0.0000 . 1 . . . . . 8 GLY N . 50438 5 21 . 1 . 1 124 124 THR H H 1 8.2760 0.0000 . 1 . . . . . 120 THR H . 50438 5 22 . 1 . 1 124 124 THR N N 15 116.9080 0.0000 . 1 . . . . . 120 THR N . 50438 5 23 . 1 . 1 125 125 GLU H H 1 8.4970 0.0000 . 1 . . . . . 121 GLU H . 50438 5 24 . 1 . 1 125 125 GLU N N 15 123.9430 0.0000 . 1 . . . . . 121 GLU N . 50438 5 25 . 1 . 1 126 126 SER H H 1 8.3350 0.0000 . 1 . . . . . 122 SER H . 50438 5 26 . 1 . 1 126 126 SER N N 15 117.5330 0.0000 . 1 . . . . . 122 SER N . 50438 5 27 . 1 . 1 127 127 HIS H H 1 8.5360 0.0000 . 1 . . . . . 123 HIS H . 50438 5 28 . 1 . 1 127 127 HIS N N 15 120.9320 0.0000 . 1 . . . . . 123 HIS N . 50438 5 29 . 1 . 1 128 128 HIS H H 1 8.4140 0.0000 . 1 . . . . . 124 HIS H . 50438 5 30 . 1 . 1 128 128 HIS N N 15 119.8900 0.0000 . 1 . . . . . 124 HIS N . 50438 5 31 . 1 . 1 129 129 LYS H H 1 8.3100 0.0000 . 1 . . . . . 125 LYS H . 50438 5 32 . 1 . 1 129 129 LYS N N 15 123.6420 0.0000 . 1 . . . . . 125 LYS N . 50438 5 33 . 1 . 1 130 130 ALA H H 1 8.3180 0.0000 . 1 . . . . . 126 ALA H . 50438 5 34 . 1 . 1 130 130 ALA N N 15 126.1630 0.0000 . 1 . . . . . 126 ALA N . 50438 5 35 . 1 . 1 131 131 LYS H H 1 8.3250 0.0000 . 1 . . . . . 127 LYS H . 50438 5 36 . 1 . 1 131 131 LYS N N 15 121.4800 0.0000 . 1 . . . . . 127 LYS N . 50438 5 37 . 1 . 1 132 132 GLY H H 1 8.3780 0.0000 . 1 . . . . . 128 GLY H . 50438 5 38 . 1 . 1 132 132 GLY N N 15 111.1890 0.0000 . 1 . . . . . 128 GLY N . 50438 5 39 . 1 . 1 133 133 LYS H H 1 7.7690 0.0000 . 1 . . . . . 129 LYS H . 50438 5 40 . 1 . 1 133 133 LYS N N 15 126.2460 0.0000 . 1 . . . . . 129 LYS N . 50438 5 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_6 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_6 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 6 _Assigned_chem_shift_list.Name 'H2A_2_145nuc_100 mM KCl' _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _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 7 '2D 1H-15N TROSY' . . . 50438 6 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 . . 50438 6 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 6 6 GLY H H 1 8.4490 0.0000 . 1 . . . . . 2 GLY H . 50438 6 2 . 1 . 1 6 6 GLY N N 15 111.2150 0.0000 . 1 . . . . . 2 GLY N . 50438 6 3 . 1 . 1 7 7 ARG H H 1 8.1570 0.0000 . 1 . . . . . 3 ARG H . 50438 6 4 . 1 . 1 7 7 ARG N N 15 120.7040 0.0000 . 1 . . . . . 3 ARG N . 50438 6 5 . 1 . 1 8 8 GLY H H 1 8.4590 0.0000 . 1 . . . . . 4 GLY H . 50438 6 6 . 1 . 1 8 8 GLY N N 15 110.2510 0.0000 . 1 . . . . . 4 GLY N . 50438 6 7 . 1 . 1 9 9 LYS H H 1 8.2140 0.0000 . 1 . . . . . 5 LYS H . 50438 6 8 . 1 . 1 9 9 LYS N N 15 121.3720 0.0000 . 1 . . . . . 5 LYS N . 50438 6 9 . 1 . 1 10 10 GLN H H 1 8.5050 0.0000 . 1 . . . . . 6 GLN H . 50438 6 10 . 1 . 1 10 10 GLN N N 15 121.9860 0.0000 . 1 . . . . . 6 GLN N . 50438 6 11 . 1 . 1 11 11 GLY H H 1 8.4180 0.0000 . 1 . . . . . 7 GLY H . 50438 6 12 . 1 . 1 11 11 GLY N N 15 110.5950 0.0000 . 1 . . . . . 7 GLY N . 50438 6 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_7 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_7 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 7 _Assigned_chem_shift_list.Name 'H2B_1_145nuc_100 mM KCl' _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _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 7 '2D 1H-15N TROSY' . . . 50438 7 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 . . 50438 7 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 . 2 . 2 3 3 GLY H H 1 8.5430 0.0000 . 1 . . . . . -1 GLY H . 50438 7 2 . 2 . 2 3 3 GLY N N 15 110.3390 0.0000 . 1 . . . . . -1 GLY N . 50438 7 3 . 2 . 2 4 4 MET H H 1 8.0950 0.0000 . 1 . . . . . 0 MET H . 50438 7 4 . 2 . 2 4 4 MET N N 15 121.4650 0.0000 . 1 . . . . . 0 MET N . 50438 7 5 . 2 . 2 6 6 GLU H H 1 8.4250 0.0000 . 1 . . . . . 2 GLU H . 50438 7 6 . 2 . 2 6 6 GLU N N 15 123.0780 0.0000 . 1 . . . . . 2 GLU N . 50438 7 7 . 2 . 2 8 8 ALA H H 1 8.3490 0.0000 . 1 . . . . . 4 ALA H . 50438 7 8 . 2 . 2 8 8 ALA N N 15 124.4870 0.0000 . 1 . . . . . 4 ALA N . 50438 7 9 . 2 . 2 9 9 LYS H H 1 8.2690 0.0000 . 1 . . . . . 5 LYS H . 50438 7 10 . 2 . 2 9 9 LYS N N 15 121.2480 0.0000 . 1 . . . . . 5 LYS N . 50438 7 11 . 2 . 2 10 10 SER H H 1 8.2270 0.0000 . 1 . . . . . 6 SER H . 50438 7 12 . 2 . 2 10 10 SER N N 15 117.6010 0.0000 . 1 . . . . . 6 SER N . 50438 7 13 . 2 . 2 11 11 ALA H H 1 8.2690 0.0000 . 1 . . . . . 7 ALA H . 50438 7 14 . 2 . 2 11 11 ALA N N 15 127.4740 0.0000 . 1 . . . . . 7 ALA N . 50438 7 15 . 2 . 2 13 13 ALA H H 1 8.3630 0.0000 . 1 . . . . . 9 ALA H . 50438 7 16 . 2 . 2 13 13 ALA N N 15 126.1670 0.0000 . 1 . . . . . 9 ALA N . 50438 7 17 . 2 . 2 15 15 LYS H H 1 8.3950 0.0000 . 1 . . . . . 11 LYS H . 50438 7 18 . 2 . 2 15 15 LYS N N 15 122.5260 0.0000 . 1 . . . . . 11 LYS N . 50438 7 19 . 2 . 2 16 16 LYS H H 1 8.4230 0.0000 . 1 . . . . . 12 LYS H . 50438 7 20 . 2 . 2 16 16 LYS N N 15 123.7010 0.0000 . 1 . . . . . 12 LYS N . 50438 7 21 . 2 . 2 17 17 GLY H H 1 8.4830 0.0000 . 1 . . . . . 13 GLY H . 50438 7 22 . 2 . 2 17 17 GLY N N 15 111.0920 0.0000 . 1 . . . . . 13 GLY N . 50438 7 23 . 2 . 2 18 18 SER H H 1 8.1690 0.0000 . 1 . . . . . 14 SER H . 50438 7 24 . 2 . 2 18 18 SER N N 15 116.1190 0.0000 . 1 . . . . . 14 SER N . 50438 7 25 . 2 . 2 19 19 LYS H H 1 8.4490 0.0000 . 1 . . . . . 15 LYS H . 50438 7 26 . 2 . 2 19 19 LYS N N 15 123.9450 0.0000 . 1 . . . . . 15 LYS N . 50438 7 27 . 2 . 2 20 20 LYS H H 1 8.2840 0.0000 . 1 . . . . . 16 LYS H . 50438 7 28 . 2 . 2 20 20 LYS N N 15 123.1250 0.0000 . 1 . . . . . 16 LYS N . 50438 7 29 . 2 . 2 21 21 ALA H H 1 8.2980 0.0000 . 1 . . . . . 17 ALA H . 50438 7 30 . 2 . 2 21 21 ALA N N 15 126.0420 0.0000 . 1 . . . . . 17 ALA N . 50438 7 31 . 2 . 2 22 22 VAL H H 1 8.1430 0.0000 . 1 . . . . . 18 VAL H . 50438 7 32 . 2 . 2 22 22 VAL N N 15 120.3150 0.0000 . 1 . . . . . 18 VAL N . 50438 7 33 . 2 . 2 23 23 THR H H 1 8.2030 0.0000 . 1 . . . . . 19 THR H . 50438 7 34 . 2 . 2 23 23 THR N N 15 119.0140 0.0000 . 1 . . . . . 19 THR N . 50438 7 35 . 2 . 2 24 24 LYS H H 1 8.3640 0.0000 . 1 . . . . . 20 LYS H . 50438 7 36 . 2 . 2 24 24 LYS N N 15 124.6360 0.0000 . 1 . . . . . 20 LYS N . 50438 7 37 . 2 . 2 25 25 ALA H H 1 8.2920 0.0000 . 1 . . . . . 21 ALA H . 50438 7 38 . 2 . 2 25 25 ALA N N 15 125.4200 0.0000 . 1 . . . . . 21 ALA N . 50438 7 39 . 2 . 2 26 26 GLN H H 1 8.2760 0.0000 . 1 . . . . . 22 GLN H . 50438 7 40 . 2 . 2 26 26 GLN N N 15 120.1930 0.0000 . 1 . . . . . 22 GLN N . 50438 7 41 . 2 . 2 27 27 LYS H H 1 8.3320 0.0000 . 1 . . . . . 23 LYS H . 50438 7 42 . 2 . 2 27 27 LYS N N 15 123.5740 0.0000 . 1 . . . . . 23 LYS N . 50438 7 43 . 2 . 2 28 28 LYS H H 1 8.4570 0.0000 . 1 . . . . . 24 LYS H . 50438 7 44 . 2 . 2 28 28 LYS N N 15 123.5010 0.0000 . 1 . . . . . 24 LYS N . 50438 7 45 . 2 . 2 29 29 ASP H H 1 8.2810 0.0000 . 1 . . . . . 25 ASP H . 50438 7 46 . 2 . 2 29 29 ASP N N 15 121.3660 0.0000 . 1 . . . . . 25 ASP N . 50438 7 47 . 2 . 2 30 30 GLY H H 1 8.2330 0.0000 . 1 . . . . . 26 GLY H . 50438 7 48 . 2 . 2 30 30 GLY N N 15 109.4200 0.0000 . 1 . . . . . 26 GLY N . 50438 7 49 . 2 . 2 31 31 LYS H H 1 8.0800 0.0000 . 1 . . . . . 27 LYS H . 50438 7 50 . 2 . 2 31 31 LYS N N 15 121.4490 0.0000 . 1 . . . . . 27 LYS N . 50438 7 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_8 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_8 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 8 _Assigned_chem_shift_list.Name 'H2B_2_145nuc_100 mM KCl' _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _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 7 '2D 1H-15N TROSY' . . . 50438 8 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 . . 50438 8 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 . 2 . 2 10 10 SER H H 1 8.2390 0.0000 . 1 . . . . . 6 SER H . 50438 8 2 . 2 . 2 10 10 SER N N 15 117.6670 0.0000 . 1 . . . . . 6 SER N . 50438 8 3 . 2 . 2 22 22 VAL H H 1 8.1530 0.0000 . 1 . . . . . 18 VAL H . 50438 8 4 . 2 . 2 22 22 VAL N N 15 120.4470 0.0000 . 1 . . . . . 18 VAL N . 50438 8 5 . 2 . 2 23 23 THR H H 1 8.2080 0.0000 . 1 . . . . . 19 THR H . 50438 8 6 . 2 . 2 23 23 THR N N 15 119.1010 0.0000 . 1 . . . . . 19 THR N . 50438 8 7 . 2 . 2 25 25 ALA H H 1 8.2840 0.0000 . 1 . . . . . 21 ALA H . 50438 8 8 . 2 . 2 25 25 ALA N N 15 125.3130 0.0000 . 1 . . . . . 21 ALA N . 50438 8 9 . 2 . 2 26 26 GLN H H 1 8.2810 0.0000 . 1 . . . . . 22 GLN H . 50438 8 10 . 2 . 2 26 26 GLN N N 15 120.2590 0.0000 . 1 . . . . . 22 GLN N . 50438 8 11 . 2 . 2 27 27 LYS H H 1 8.3460 0.0000 . 1 . . . . . 23 LYS H . 50438 8 12 . 2 . 2 27 27 LYS N N 15 123.6630 0.0000 . 1 . . . . . 23 LYS N . 50438 8 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_9 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_9 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 9 _Assigned_chem_shift_list.Name 'H2A_1_145nuc_25 mM KCl' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 8 '2D 1H-15N TROSY' . . . 50438 9 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 . . 50438 9 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 3 3 GLY H H 1 8.5800 0.0000 . 1 . . . . . -1 GLY H . 50438 9 2 . 1 . 1 3 3 GLY N N 15 110.1190 0.0000 . 1 . . . . . -1 GLY N . 50438 9 3 . 1 . 1 4 4 MET H H 1 8.2670 0.0000 . 1 . . . . . 0 MET H . 50438 9 4 . 1 . 1 4 4 MET N N 15 120.3920 0.0000 . 1 . . . . . 0 MET N . 50438 9 5 . 1 . 1 5 5 SER H H 1 8.3590 0.0000 . 1 . . . . . 1 SER H . 50438 9 6 . 1 . 1 5 5 SER N N 15 117.3690 0.0000 . 1 . . . . . 1 SER N . 50438 9 7 . 1 . 1 6 6 GLY H H 1 8.4320 0.0000 . 1 . . . . . 2 GLY H . 50438 9 8 . 1 . 1 6 6 GLY N N 15 111.1650 0.0000 . 1 . . . . . 2 GLY N . 50438 9 9 . 1 . 1 7 7 ARG H H 1 8.1200 0.0000 . 1 . . . . . 3 ARG H . 50438 9 10 . 1 . 1 7 7 ARG N N 15 120.6410 0.0000 . 1 . . . . . 3 ARG N . 50438 9 11 . 1 . 1 8 8 GLY H H 1 8.4450 0.0000 . 1 . . . . . 4 GLY H . 50438 9 12 . 1 . 1 8 8 GLY N N 15 110.1200 0.0000 . 1 . . . . . 4 GLY N . 50438 9 13 . 1 . 1 9 9 LYS H H 1 8.1790 0.0000 . 1 . . . . . 5 LYS H . 50438 9 14 . 1 . 1 9 9 LYS N N 15 121.3740 0.0000 . 1 . . . . . 5 LYS N . 50438 9 15 . 1 . 1 10 10 GLN H H 1 8.4970 0.0000 . 1 . . . . . 6 GLN H . 50438 9 16 . 1 . 1 10 10 GLN N N 15 121.8730 0.0000 . 1 . . . . . 6 GLN N . 50438 9 17 . 1 . 1 11 11 GLY H H 1 8.3880 0.0000 . 1 . . . . . 7 GLY H . 50438 9 18 . 1 . 1 11 11 GLY N N 15 110.4780 0.0000 . 1 . . . . . 7 GLY N . 50438 9 19 . 1 . 1 12 12 GLY H H 1 8.2660 0.0000 . 1 . . . . . 8 GLY H . 50438 9 20 . 1 . 1 12 12 GLY N N 15 109.2570 0.0000 . 1 . . . . . 8 GLY N . 50438 9 21 . 1 . 1 124 124 THR H H 1 8.2050 0.0000 . 1 . . . . . 120 THR H . 50438 9 22 . 1 . 1 124 124 THR N N 15 116.3110 0.0000 . 1 . . . . . 120 THR N . 50438 9 23 . 1 . 1 125 125 GLU H H 1 8.4710 0.0000 . 1 . . . . . 121 GLU H . 50438 9 24 . 1 . 1 125 125 GLU N N 15 123.8690 0.0000 . 1 . . . . . 121 GLU N . 50438 9 25 . 1 . 1 126 126 SER H H 1 8.3240 0.0000 . 1 . . . . . 122 SER H . 50438 9 26 . 1 . 1 126 126 SER N N 15 117.5050 0.0000 . 1 . . . . . 122 SER N . 50438 9 27 . 1 . 1 127 127 HIS H H 1 8.5560 0.0000 . 1 . . . . . 123 HIS H . 50438 9 28 . 1 . 1 127 127 HIS N N 15 120.8280 0.0000 . 1 . . . . . 123 HIS N . 50438 9 29 . 1 . 1 128 128 HIS H H 1 8.4370 0.0000 . 1 . . . . . 124 HIS H . 50438 9 30 . 1 . 1 128 128 HIS N N 15 119.9430 0.0000 . 1 . . . . . 124 HIS N . 50438 9 31 . 1 . 1 129 129 LYS H H 1 8.3720 0.0000 . 1 . . . . . 125 LYS H . 50438 9 32 . 1 . 1 129 129 LYS N N 15 123.7510 0.0000 . 1 . . . . . 125 LYS N . 50438 9 33 . 1 . 1 130 130 ALA H H 1 8.3480 0.0000 . 1 . . . . . 126 ALA H . 50438 9 34 . 1 . 1 130 130 ALA N N 15 126.3220 0.0000 . 1 . . . . . 126 ALA N . 50438 9 35 . 1 . 1 131 131 LYS H H 1 8.3470 0.0000 . 1 . . . . . 127 LYS H . 50438 9 36 . 1 . 1 131 131 LYS N N 15 121.5800 0.0000 . 1 . . . . . 127 LYS N . 50438 9 37 . 1 . 1 132 132 GLY H H 1 8.3830 0.0000 . 1 . . . . . 128 GLY H . 50438 9 38 . 1 . 1 132 132 GLY N N 15 111.1430 0.0000 . 1 . . . . . 128 GLY N . 50438 9 39 . 1 . 1 133 133 LYS H H 1 7.7650 0.0000 . 1 . . . . . 129 LYS H . 50438 9 40 . 1 . 1 133 133 LYS N N 15 126.2240 0.0000 . 1 . . . . . 129 LYS N . 50438 9 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_10 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_10 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 10 _Assigned_chem_shift_list.Name 'H2A_2_145nuc_25 mM KCl' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 8 '2D 1H-15N TROSY' . . . 50438 10 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 . . 50438 10 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 6 6 GLY H H 1 8.4650 0.0000 . 1 . . . . . 2 GLY H . 50438 10 2 . 1 . 1 6 6 GLY N N 15 111.2100 0.0000 . 1 . . . . . 2 GLY N . 50438 10 3 . 1 . 1 7 7 ARG H H 1 8.1460 0.0000 . 1 . . . . . 3 ARG H . 50438 10 4 . 1 . 1 7 7 ARG N N 15 120.7060 0.0000 . 1 . . . . . 3 ARG N . 50438 10 5 . 1 . 1 8 8 GLY H H 1 8.4800 0.0000 . 1 . . . . . 4 GLY H . 50438 10 6 . 1 . 1 8 8 GLY N N 15 110.3700 0.0000 . 1 . . . . . 4 GLY N . 50438 10 7 . 1 . 1 9 9 LYS H H 1 8.2100 0.0000 . 1 . . . . . 5 LYS H . 50438 10 8 . 1 . 1 9 9 LYS N N 15 121.3410 0.0000 . 1 . . . . . 5 LYS N . 50438 10 9 . 1 . 1 10 10 GLN H H 1 8.5120 0.0000 . 1 . . . . . 6 GLN H . 50438 10 10 . 1 . 1 10 10 GLN N N 15 122.0840 0.0000 . 1 . . . . . 6 GLN N . 50438 10 11 . 1 . 1 11 11 GLY H H 1 8.4250 0.0000 . 1 . . . . . 7 GLY H . 50438 10 12 . 1 . 1 11 11 GLY N N 15 110.5350 0.0000 . 1 . . . . . 7 GLY N . 50438 10 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_11 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_11 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 11 _Assigned_chem_shift_list.Name 'H2B_1_145nuc_25 mM KCl' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 8 '2D 1H-15N TROSY' . . . 50438 11 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 . . 50438 11 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 . 2 . 2 3 3 GLY H H 1 8.5480 0.0000 . 1 . . . . . -1 GLY H . 50438 11 2 . 2 . 2 3 3 GLY N N 15 110.3760 0.0000 . 1 . . . . . -1 GLY N . 50438 11 3 . 2 . 2 4 4 MET H H 1 8.0780 0.0000 . 1 . . . . . 0 MET H . 50438 11 4 . 2 . 2 4 4 MET N N 15 121.4330 0.0000 . 1 . . . . . 0 MET N . 50438 11 5 . 2 . 2 6 6 GLU H H 1 8.4100 0.0000 . 1 . . . . . 2 GLU H . 50438 11 6 . 2 . 2 6 6 GLU N N 15 122.9670 0.0000 . 1 . . . . . 2 GLU N . 50438 11 7 . 2 . 2 8 8 ALA H H 1 8.3390 0.0000 . 1 . . . . . 4 ALA H . 50438 11 8 . 2 . 2 8 8 ALA N N 15 124.4630 0.0000 . 1 . . . . . 4 ALA N . 50438 11 9 . 2 . 2 9 9 LYS H H 1 8.2550 0.0000 . 1 . . . . . 5 LYS H . 50438 11 10 . 2 . 2 9 9 LYS N N 15 121.2050 0.0000 . 1 . . . . . 5 LYS N . 50438 11 11 . 2 . 2 10 10 SER H H 1 8.2360 0.0000 . 1 . . . . . 6 SER H . 50438 11 12 . 2 . 2 10 10 SER N N 15 117.7310 0.0000 . 1 . . . . . 6 SER N . 50438 11 13 . 2 . 2 11 11 ALA H H 1 8.2620 0.0000 . 1 . . . . . 7 ALA H . 50438 11 14 . 2 . 2 11 11 ALA N N 15 127.4070 0.0000 . 1 . . . . . 7 ALA N . 50438 11 15 . 2 . 2 13 13 ALA H H 1 8.3610 0.0000 . 1 . . . . . 9 ALA H . 50438 11 16 . 2 . 2 13 13 ALA N N 15 126.2030 0.0000 . 1 . . . . . 9 ALA N . 50438 11 17 . 2 . 2 15 15 LYS H H 1 8.3970 0.0000 . 1 . . . . . 11 LYS H . 50438 11 18 . 2 . 2 15 15 LYS N N 15 122.5350 0.0000 . 1 . . . . . 11 LYS N . 50438 11 19 . 2 . 2 16 16 LYS H H 1 8.4360 0.0000 . 1 . . . . . 12 LYS H . 50438 11 20 . 2 . 2 16 16 LYS N N 15 123.6910 0.0000 . 1 . . . . . 12 LYS N . 50438 11 21 . 2 . 2 17 17 GLY H H 1 8.4960 0.0000 . 1 . . . . . 13 GLY H . 50438 11 22 . 2 . 2 17 17 GLY N N 15 111.0730 0.0000 . 1 . . . . . 13 GLY N . 50438 11 23 . 2 . 2 18 18 SER H H 1 8.1730 0.0000 . 1 . . . . . 14 SER H . 50438 11 24 . 2 . 2 18 18 SER N N 15 116.1200 0.0000 . 1 . . . . . 14 SER N . 50438 11 25 . 2 . 2 19 19 LYS H H 1 8.4730 0.0000 . 1 . . . . . 15 LYS H . 50438 11 26 . 2 . 2 19 19 LYS N N 15 123.9690 0.0000 . 1 . . . . . 15 LYS N . 50438 11 27 . 2 . 2 20 20 LYS H H 1 8.2910 0.0000 . 1 . . . . . 16 LYS H . 50438 11 28 . 2 . 2 20 20 LYS N N 15 123.0040 0.0000 . 1 . . . . . 16 LYS N . 50438 11 29 . 2 . 2 21 21 ALA H H 1 8.2900 0.0000 . 1 . . . . . 17 ALA H . 50438 11 30 . 2 . 2 21 21 ALA N N 15 125.9180 0.0000 . 1 . . . . . 17 ALA N . 50438 11 31 . 2 . 2 22 22 VAL H H 1 8.1360 0.0000 . 1 . . . . . 18 VAL H . 50438 11 32 . 2 . 2 22 22 VAL N N 15 120.2420 0.0000 . 1 . . . . . 18 VAL N . 50438 11 33 . 2 . 2 23 23 THR H H 1 8.2000 0.0000 . 1 . . . . . 19 THR H . 50438 11 34 . 2 . 2 23 23 THR N N 15 118.9810 0.0000 . 1 . . . . . 19 THR N . 50438 11 35 . 2 . 2 24 24 LYS H H 1 8.3560 0.0000 . 1 . . . . . 20 LYS H . 50438 11 36 . 2 . 2 24 24 LYS N N 15 124.6720 0.0000 . 1 . . . . . 20 LYS N . 50438 11 37 . 2 . 2 25 25 ALA H H 1 8.2870 0.0000 . 1 . . . . . 21 ALA H . 50438 11 38 . 2 . 2 25 25 ALA N N 15 125.2900 0.0000 . 1 . . . . . 21 ALA N . 50438 11 39 . 2 . 2 26 26 GLN H H 1 8.2780 0.0000 . 1 . . . . . 22 GLN H . 50438 11 40 . 2 . 2 26 26 GLN N N 15 120.1140 0.0000 . 1 . . . . . 22 GLN N . 50438 11 41 . 2 . 2 27 27 LYS H H 1 8.3460 0.0000 . 1 . . . . . 23 LYS H . 50438 11 42 . 2 . 2 27 27 LYS N N 15 123.5380 0.0000 . 1 . . . . . 23 LYS N . 50438 11 43 . 2 . 2 28 28 LYS H H 1 8.4590 0.0000 . 1 . . . . . 24 LYS H . 50438 11 44 . 2 . 2 28 28 LYS N N 15 123.4650 0.0000 . 1 . . . . . 24 LYS N . 50438 11 45 . 2 . 2 29 29 ASP H H 1 8.2700 0.0000 . 1 . . . . . 25 ASP H . 50438 11 46 . 2 . 2 29 29 ASP N N 15 121.2960 0.0000 . 1 . . . . . 25 ASP N . 50438 11 47 . 2 . 2 30 30 GLY H H 1 8.2380 0.0000 . 1 . . . . . 26 GLY H . 50438 11 48 . 2 . 2 30 30 GLY N N 15 109.4040 0.0000 . 1 . . . . . 26 GLY N . 50438 11 49 . 2 . 2 31 31 LYS H H 1 8.0510 0.0000 . 1 . . . . . 27 LYS H . 50438 11 50 . 2 . 2 31 31 LYS N N 15 121.3640 0.0000 . 1 . . . . . 27 LYS N . 50438 11 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_12 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_12 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 12 _Assigned_chem_shift_list.Name 'H2B_2_145nuc_25 mM KCl' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 8 '2D 1H-15N TROSY' . . . 50438 12 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 . . 50438 12 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 . 2 . 2 10 10 SER H H 1 8.2610 0.0000 . 1 . . . . . 6 SER H . 50438 12 2 . 2 . 2 10 10 SER N N 15 117.8840 0.0000 . 1 . . . . . 6 SER N . 50438 12 3 . 2 . 2 21 21 ALA H H 1 8.3100 0.0000 . 1 . . . . . 17 ALA H . 50438 12 4 . 2 . 2 21 21 ALA N N 15 125.9910 0.0000 . 1 . . . . . 17 ALA N . 50438 12 5 . 2 . 2 22 22 VAL H H 1 8.1490 0.0000 . 1 . . . . . 18 VAL H . 50438 12 6 . 2 . 2 22 22 VAL N N 15 120.4740 0.0000 . 1 . . . . . 18 VAL N . 50438 12 7 . 2 . 2 23 23 THR H H 1 8.2180 0.0000 . 1 . . . . . 19 THR H . 50438 12 8 . 2 . 2 23 23 THR N N 15 119.1430 0.0000 . 1 . . . . . 19 THR N . 50438 12 9 . 2 . 2 24 24 LYS H H 1 8.3690 0.0000 . 1 . . . . . 20 LYS H . 50438 12 10 . 2 . 2 24 24 LYS N N 15 124.6400 0.0000 . 1 . . . . . 20 LYS N . 50438 12 11 . 2 . 2 25 25 ALA H H 1 8.3070 0.0000 . 1 . . . . . 21 ALA H . 50438 12 12 . 2 . 2 25 25 ALA N N 15 125.4280 0.0000 . 1 . . . . . 21 ALA N . 50438 12 13 . 2 . 2 26 26 GLN H H 1 8.2930 0.0000 . 1 . . . . . 22 GLN H . 50438 12 14 . 2 . 2 26 26 GLN N N 15 120.2630 0.0000 . 1 . . . . . 22 GLN N . 50438 12 15 . 2 . 2 27 27 LYS H H 1 8.3530 0.0000 . 1 . . . . . 23 LYS H . 50438 12 16 . 2 . 2 27 27 LYS N N 15 123.6160 0.0000 . 1 . . . . . 23 LYS N . 50438 12 17 . 2 . 2 28 28 LYS H H 1 8.4810 0.0000 . 1 . . . . . 24 LYS H . 50438 12 18 . 2 . 2 28 28 LYS N N 15 123.5870 0.0000 . 1 . . . . . 24 LYS N . 50438 12 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_13 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_13 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 13 _Assigned_chem_shift_list.Name 'H2A_2_145nuc_400 mM KCl' _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' . . . 50438 13 2 '3D HNCA' . . . 50438 13 3 '3D HNCACB' . . . 50438 13 4 '3D HNCO' . . . 50438 13 5 '3D HN(CA)CO' . . . 50438 13 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 . . 50438 13 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 8 8 GLY H H 1 8.4510 0.0000 . 1 . . . . . 4 GLY H . 50438 13 2 . 1 . 1 8 8 GLY C C 13 174.2340 0.0000 . 1 . . . . . 4 GLY C . 50438 13 3 . 1 . 1 8 8 GLY CA C 13 44.8470 0.0000 . 1 . . . . . 4 GLY CA . 50438 13 4 . 1 . 1 8 8 GLY N N 15 110.2820 0.0000 . 1 . . . . . 4 GLY N . 50438 13 5 . 1 . 1 11 11 GLY H H 1 8.4120 0.0000 . 1 . . . . . 7 GLY H . 50438 13 6 . 1 . 1 11 11 GLY C C 13 174.6990 0.0000 . 1 . . . . . 7 GLY C . 50438 13 7 . 1 . 1 11 11 GLY CA C 13 44.9460 0.0000 . 1 . . . . . 7 GLY CA . 50438 13 8 . 1 . 1 11 11 GLY N N 15 110.6500 0.0000 . 1 . . . . . 7 GLY N . 50438 13 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_14 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_14 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 14 _Assigned_chem_shift_list.Name 'H2B_145nuc_400 mM KCl' _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' . . . 50438 14 2 '3D HNCA' . . . 50438 14 3 '3D HNCACB' . . . 50438 14 4 '3D HNCO' . . . 50438 14 5 '3D HN(CA)CO' . . . 50438 14 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 . . 50438 14 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 . 2 . 2 2 2 PRO C C 13 177.4680 0.0000 . 1 . . . . . -2 PRO C . 50438 14 2 . 2 . 2 2 2 PRO CB C 13 31.3140 0.0000 . 1 . . . . . -2 PRO CB . 50438 14 3 . 2 . 2 3 3 GLY H H 1 8.5500 0.0000 . 1 . . . . . -1 GLY H . 50438 14 4 . 2 . 2 3 3 GLY C C 13 173.7630 0.0000 . 1 . . . . . -1 GLY C . 50438 14 5 . 2 . 2 3 3 GLY CA C 13 44.7400 0.0000 . 1 . . . . . -1 GLY CA . 50438 14 6 . 2 . 2 3 3 GLY N N 15 110.3950 0.0000 . 1 . . . . . -1 GLY N . 50438 14 7 . 2 . 2 4 4 MET H H 1 8.1160 0.0000 . 1 . . . . . 0 MET H . 50438 14 8 . 2 . 2 4 4 MET C C 13 174.1820 0.0000 . 1 . . . . . 0 MET C . 50438 14 9 . 2 . 2 4 4 MET CA C 13 52.8630 0.0000 . 1 . . . . . 0 MET CA . 50438 14 10 . 2 . 2 4 4 MET CB C 13 31.8010 0.0000 . 1 . . . . . 0 MET CB . 50438 14 11 . 2 . 2 4 4 MET N N 15 121.4900 0.0000 . 1 . . . . . 0 MET N . 50438 14 12 . 2 . 2 5 5 PRO C C 13 176.6820 0.0000 . 1 . . . . . 1 PRO C . 50438 14 13 . 2 . 2 5 5 PRO CA C 13 62.6070 0.0000 . 1 . . . . . 1 PRO CA . 50438 14 14 . 2 . 2 5 5 PRO CB C 13 31.3670 0.0000 . 1 . . . . . 1 PRO CB . 50438 14 15 . 2 . 2 6 6 GLU H H 1 8.4470 0.0000 . 1 . . . . . 2 GLU H . 50438 14 16 . 2 . 2 6 6 GLU C C 13 174.7440 0.0000 . 1 . . . . . 2 GLU C . 50438 14 17 . 2 . 2 6 6 GLU CA C 13 53.9220 0.0000 . 1 . . . . . 2 GLU CA . 50438 14 18 . 2 . 2 6 6 GLU CB C 13 28.9100 0.0000 . 1 . . . . . 2 GLU CB . 50438 14 19 . 2 . 2 6 6 GLU N N 15 123.0570 0.0000 . 1 . . . . . 2 GLU N . 50438 14 20 . 2 . 2 7 7 PRO CA C 13 62.7560 0.0000 . 1 . . . . . 3 PRO CA . 50438 14 21 . 2 . 2 7 7 PRO CB C 13 31.1910 0.0000 . 1 . . . . . 3 PRO CB . 50438 14 22 . 2 . 2 8 8 ALA H H 1 8.3720 0.0000 . 1 . . . . . 4 ALA H . 50438 14 23 . 2 . 2 8 8 ALA C C 13 178.0040 0.0000 . 1 . . . . . 4 ALA C . 50438 14 24 . 2 . 2 8 8 ALA CA C 13 52.1420 0.0000 . 1 . . . . . 4 ALA CA . 50438 14 25 . 2 . 2 8 8 ALA CB C 13 18.3410 0.0000 . 1 . . . . . 4 ALA CB . 50438 14 26 . 2 . 2 8 8 ALA N N 15 124.5030 0.0000 . 1 . . . . . 4 ALA N . 50438 14 27 . 2 . 2 9 9 LYS H H 1 8.2850 0.0000 . 1 . . . . . 5 LYS H . 50438 14 28 . 2 . 2 9 9 LYS C C 13 176.6820 0.0000 . 1 . . . . . 5 LYS C . 50438 14 29 . 2 . 2 9 9 LYS CA C 13 55.8540 0.0000 . 1 . . . . . 5 LYS CA . 50438 14 30 . 2 . 2 9 9 LYS CB C 13 32.2840 0.0000 . 1 . . . . . 5 LYS CB . 50438 14 31 . 2 . 2 9 9 LYS N N 15 121.1510 0.0000 . 1 . . . . . 5 LYS N . 50438 14 32 . 2 . 2 10 10 SER H H 1 8.2250 0.0000 . 1 . . . . . 6 SER H . 50438 14 33 . 2 . 2 10 10 SER C C 13 173.7100 0.0000 . 1 . . . . . 6 SER C . 50438 14 34 . 2 . 2 10 10 SER CA C 13 57.7490 0.0000 . 1 . . . . . 6 SER CA . 50438 14 35 . 2 . 2 10 10 SER CB C 13 63.5890 0.0000 . 1 . . . . . 6 SER CB . 50438 14 36 . 2 . 2 10 10 SER N N 15 117.4070 0.0000 . 1 . . . . . 6 SER N . 50438 14 37 . 2 . 2 11 11 ALA H H 1 8.2760 0.0000 . 1 . . . . . 7 ALA H . 50438 14 38 . 2 . 2 11 11 ALA C C 13 175.3730 0.0000 . 1 . . . . . 7 ALA C . 50438 14 39 . 2 . 2 11 11 ALA CA C 13 50.1480 0.0000 . 1 . . . . . 7 ALA CA . 50438 14 40 . 2 . 2 11 11 ALA CB C 13 17.5880 0.0000 . 1 . . . . . 7 ALA CB . 50438 14 41 . 2 . 2 11 11 ALA N N 15 127.4860 0.0000 . 1 . . . . . 7 ALA N . 50438 14 42 . 2 . 2 12 12 PRO C C 13 176.3810 0.0000 . 1 . . . . . 8 PRO C . 50438 14 43 . 2 . 2 12 12 PRO CA C 13 62.3760 0.0000 . 1 . . . . . 8 PRO CA . 50438 14 44 . 2 . 2 12 12 PRO CB C 13 31.2160 0.0000 . 1 . . . . . 8 PRO CB . 50438 14 45 . 2 . 2 13 13 ALA H H 1 8.3660 0.0000 . 1 . . . . . 9 ALA H . 50438 14 46 . 2 . 2 13 13 ALA C C 13 175.6610 0.0000 . 1 . . . . . 9 ALA C . 50438 14 47 . 2 . 2 13 13 ALA CA C 13 49.9810 0.0000 . 1 . . . . . 9 ALA CA . 50438 14 48 . 2 . 2 13 13 ALA CB C 13 17.2510 0.0000 . 1 . . . . . 9 ALA CB . 50438 14 49 . 2 . 2 13 13 ALA N N 15 126.1640 0.0000 . 1 . . . . . 9 ALA N . 50438 14 50 . 2 . 2 14 14 PRO C C 13 177.0090 0.0000 . 1 . . . . . 10 PRO C . 50438 14 51 . 2 . 2 14 14 PRO CA C 13 62.5000 0.0000 . 1 . . . . . 10 PRO CA . 50438 14 52 . 2 . 2 14 14 PRO CB C 13 32.1460 0.0000 . 1 . . . . . 10 PRO CB . 50438 14 53 . 2 . 2 15 15 LYS H H 1 8.4020 0.0000 . 1 . . . . . 11 LYS H . 50438 14 54 . 2 . 2 15 15 LYS C C 13 176.9310 0.0000 . 1 . . . . . 11 LYS C . 50438 14 55 . 2 . 2 15 15 LYS CA C 13 55.8550 0.0000 . 1 . . . . . 11 LYS CA . 50438 14 56 . 2 . 2 15 15 LYS CB C 13 31.8890 0.0000 . 1 . . . . . 11 LYS CB . 50438 14 57 . 2 . 2 15 15 LYS N N 15 122.4760 0.0000 . 1 . . . . . 11 LYS N . 50438 14 58 . 2 . 2 16 16 LYS H H 1 8.4040 0.0000 . 1 . . . . . 12 LYS H . 50438 14 59 . 2 . 2 16 16 LYS C C 13 177.2060 0.0000 . 1 . . . . . 12 LYS C . 50438 14 60 . 2 . 2 16 16 LYS CA C 13 56.1950 0.0000 . 1 . . . . . 12 LYS CA . 50438 14 61 . 2 . 2 16 16 LYS CB C 13 31.9730 0.0000 . 1 . . . . . 12 LYS CB . 50438 14 62 . 2 . 2 16 16 LYS N N 15 123.7970 0.0000 . 1 . . . . . 12 LYS N . 50438 14 63 . 2 . 2 17 17 GLY H H 1 8.4710 0.0000 . 1 . . . . . 13 GLY H . 50438 14 64 . 2 . 2 17 17 GLY C C 13 174.1550 0.0000 . 1 . . . . . 13 GLY C . 50438 14 65 . 2 . 2 17 17 GLY CA C 13 44.8210 0.0000 . 1 . . . . . 13 GLY CA . 50438 14 66 . 2 . 2 17 17 GLY N N 15 111.1780 0.0000 . 1 . . . . . 13 GLY N . 50438 14 67 . 2 . 2 18 18 SER H H 1 8.1660 0.0000 . 1 . . . . . 14 SER H . 50438 14 68 . 2 . 2 18 18 SER C C 13 174.6790 0.0000 . 1 . . . . . 14 SER C . 50438 14 69 . 2 . 2 18 18 SER CA C 13 58.0550 0.0000 . 1 . . . . . 14 SER CA . 50438 14 70 . 2 . 2 18 18 SER CB C 13 63.8590 0.0000 . 1 . . . . . 14 SER CB . 50438 14 71 . 2 . 2 18 18 SER N N 15 116.1340 0.0000 . 1 . . . . . 14 SER N . 50438 14 72 . 2 . 2 19 19 LYS H H 1 8.3990 0.0000 . 1 . . . . . 15 LYS H . 50438 14 73 . 2 . 2 19 19 LYS C C 13 176.6820 0.0000 . 1 . . . . . 15 LYS C . 50438 14 74 . 2 . 2 19 19 LYS CA C 13 56.0930 0.0000 . 1 . . . . . 15 LYS CA . 50438 14 75 . 2 . 2 19 19 LYS CB C 13 31.9660 0.0000 . 1 . . . . . 15 LYS CB . 50438 14 76 . 2 . 2 19 19 LYS N N 15 123.9810 0.0000 . 1 . . . . . 15 LYS N . 50438 14 77 . 2 . 2 20 20 LYS H H 1 8.2690 0.0000 . 1 . . . . . 16 LYS H . 50438 14 78 . 2 . 2 20 20 LYS C C 13 176.3420 0.0000 . 1 . . . . . 16 LYS C . 50438 14 79 . 2 . 2 20 20 LYS CA C 13 56.1530 0.0000 . 1 . . . . . 16 LYS CA . 50438 14 80 . 2 . 2 20 20 LYS CB C 13 32.1620 0.0000 . 1 . . . . . 16 LYS CB . 50438 14 81 . 2 . 2 20 20 LYS N N 15 123.3860 0.0000 . 1 . . . . . 16 LYS N . 50438 14 82 . 2 . 2 21 21 ALA H H 1 8.3020 0.0000 . 1 . . . . . 17 ALA H . 50438 14 83 . 2 . 2 21 21 ALA C C 13 177.7160 0.0000 . 1 . . . . . 17 ALA C . 50438 14 84 . 2 . 2 21 21 ALA CA C 13 52.0470 0.0000 . 1 . . . . . 17 ALA CA . 50438 14 85 . 2 . 2 21 21 ALA CB C 13 18.4020 0.0000 . 1 . . . . . 17 ALA CB . 50438 14 86 . 2 . 2 21 21 ALA N N 15 126.1950 0.0000 . 1 . . . . . 17 ALA N . 50438 14 87 . 2 . 2 22 22 VAL H H 1 8.1600 0.0000 . 1 . . . . . 18 VAL H . 50438 14 88 . 2 . 2 22 22 VAL C C 13 176.5220 0.0000 . 1 . . . . . 18 VAL C . 50438 14 89 . 2 . 2 22 22 VAL CA C 13 61.8990 0.0000 . 1 . . . . . 18 VAL CA . 50438 14 90 . 2 . 2 22 22 VAL CB C 13 31.8470 0.0000 . 1 . . . . . 18 VAL CB . 50438 14 91 . 2 . 2 22 22 VAL N N 15 120.5060 0.0000 . 1 . . . . . 18 VAL N . 50438 14 92 . 2 . 2 23 23 THR H H 1 8.2110 0.0000 . 1 . . . . . 19 THR H . 50438 14 93 . 2 . 2 23 23 THR C C 13 174.5000 0.0000 . 1 . . . . . 19 THR C . 50438 14 94 . 2 . 2 23 23 THR CA C 13 61.4930 0.0000 . 1 . . . . . 19 THR CA . 50438 14 95 . 2 . 2 23 23 THR CB C 13 69.3630 0.0000 . 1 . . . . . 19 THR CB . 50438 14 96 . 2 . 2 23 23 THR N N 15 119.0430 0.0000 . 1 . . . . . 19 THR N . 50438 14 97 . 2 . 2 24 24 LYS H H 1 8.3480 0.0000 . 1 . . . . . 20 LYS H . 50438 14 98 . 2 . 2 24 24 LYS C C 13 176.4330 0.0000 . 1 . . . . . 20 LYS C . 50438 14 99 . 2 . 2 24 24 LYS CA C 13 56.0970 0.0000 . 1 . . . . . 20 LYS CA . 50438 14 100 . 2 . 2 24 24 LYS CB C 13 32.0860 0.0000 . 1 . . . . . 20 LYS CB . 50438 14 101 . 2 . 2 24 24 LYS N N 15 124.5090 0.0000 . 1 . . . . . 20 LYS N . 50438 14 102 . 2 . 2 25 25 ALA H H 1 8.2910 0.0000 . 1 . . . . . 21 ALA H . 50438 14 103 . 2 . 2 25 25 ALA C C 13 177.7950 0.0000 . 1 . . . . . 21 ALA C . 50438 14 104 . 2 . 2 25 25 ALA CA C 13 52.2340 0.0000 . 1 . . . . . 21 ALA CA . 50438 14 105 . 2 . 2 25 25 ALA CB C 13 18.4170 0.0000 . 1 . . . . . 21 ALA CB . 50438 14 106 . 2 . 2 25 25 ALA N N 15 125.5310 0.0000 . 1 . . . . . 21 ALA N . 50438 14 107 . 2 . 2 26 26 GLN H H 1 8.2780 0.0000 . 1 . . . . . 22 GLN H . 50438 14 108 . 2 . 2 26 26 GLN C C 13 176.1390 0.0000 . 1 . . . . . 22 GLN C . 50438 14 109 . 2 . 2 26 26 GLN CA C 13 55.3540 0.0000 . 1 . . . . . 22 GLN CA . 50438 14 110 . 2 . 2 26 26 GLN CB C 13 28.8580 0.0000 . 1 . . . . . 22 GLN CB . 50438 14 111 . 2 . 2 26 26 GLN N N 15 120.2220 0.0000 . 1 . . . . . 22 GLN N . 50438 14 112 . 2 . 2 27 27 LYS H H 1 8.3300 0.0000 . 1 . . . . . 23 LYS H . 50438 14 113 . 2 . 2 27 27 LYS C C 13 176.8060 0.0000 . 1 . . . . . 23 LYS C . 50438 14 114 . 2 . 2 27 27 LYS CA C 13 56.0900 0.0000 . 1 . . . . . 23 LYS CA . 50438 14 115 . 2 . 2 27 27 LYS CB C 13 32.0130 0.0000 . 1 . . . . . 23 LYS CB . 50438 14 116 . 2 . 2 27 27 LYS N N 15 123.5560 0.0000 . 1 . . . . . 23 LYS N . 50438 14 117 . 2 . 2 28 28 LYS H H 1 8.4360 0.0000 . 1 . . . . . 24 LYS H . 50438 14 118 . 2 . 2 28 28 LYS C C 13 176.3810 0.0000 . 1 . . . . . 24 LYS C . 50438 14 119 . 2 . 2 28 28 LYS CA C 13 56.0750 0.0000 . 1 . . . . . 24 LYS CA . 50438 14 120 . 2 . 2 28 28 LYS CB C 13 31.8310 0.0000 . 1 . . . . . 24 LYS CB . 50438 14 121 . 2 . 2 28 28 LYS N N 15 123.5180 0.0000 . 1 . . . . . 24 LYS N . 50438 14 122 . 2 . 2 29 29 ASP H H 1 8.3000 0.0000 . 1 . . . . . 25 ASP H . 50438 14 123 . 2 . 2 29 29 ASP C C 13 176.6820 0.0000 . 1 . . . . . 25 ASP C . 50438 14 124 . 2 . 2 29 29 ASP CA C 13 54.0300 0.0000 . 1 . . . . . 25 ASP CA . 50438 14 125 . 2 . 2 29 29 ASP CB C 13 40.6280 0.0000 . 1 . . . . . 25 ASP CB . 50438 14 126 . 2 . 2 29 29 ASP N N 15 121.7460 0.0000 . 1 . . . . . 25 ASP N . 50438 14 127 . 2 . 2 30 30 GLY H H 1 8.2550 0.0000 . 1 . . . . . 26 GLY H . 50438 14 128 . 2 . 2 30 30 GLY C C 13 173.9850 0.0000 . 1 . . . . . 26 GLY C . 50438 14 129 . 2 . 2 30 30 GLY CA C 13 44.8550 0.0000 . 1 . . . . . 26 GLY CA . 50438 14 130 . 2 . 2 30 30 GLY N N 15 109.5510 0.0000 . 1 . . . . . 26 GLY N . 50438 14 131 . 2 . 2 31 31 LYS H H 1 8.1420 0.0000 . 1 . . . . . 27 LYS H . 50438 14 132 . 2 . 2 31 31 LYS C C 13 176.2630 0.0000 . 1 . . . . . 27 LYS C . 50438 14 133 . 2 . 2 31 31 LYS CA C 13 55.7360 0.0000 . 1 . . . . . 27 LYS CA . 50438 14 134 . 2 . 2 31 31 LYS CB C 13 32.3800 0.0000 . 1 . . . . . 27 LYS CB . 50438 14 135 . 2 . 2 31 31 LYS N N 15 121.5680 0.0000 . 1 . . . . . 27 LYS N . 50438 14 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_15 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_15 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 15 _Assigned_chem_shift_list.Name 'H2A_1_193nuc_25 mM KCl' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 9 '2D 1H-15N TROSY' . . . 50438 15 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 . . 50438 15 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 3 3 GLY H H 1 8.5840 0.0000 . 1 . . . . . -1 GLY H . 50438 15 2 . 1 . 1 3 3 GLY N N 15 110.1510 0.0000 . 1 . . . . . -1 GLY N . 50438 15 3 . 1 . 1 4 4 MET H H 1 8.2690 0.0000 . 1 . . . . . 0 MET H . 50438 15 4 . 1 . 1 4 4 MET N N 15 120.4910 0.0000 . 1 . . . . . 0 MET N . 50438 15 5 . 1 . 1 5 5 SER H H 1 8.3610 0.0000 . 1 . . . . . 1 SER H . 50438 15 6 . 1 . 1 5 5 SER N N 15 117.4200 0.0000 . 1 . . . . . 1 SER N . 50438 15 7 . 1 . 1 6 6 GLY H H 1 8.4330 0.0000 . 1 . . . . . 2 GLY H . 50438 15 8 . 1 . 1 6 6 GLY N N 15 111.1590 0.0000 . 1 . . . . . 2 GLY N . 50438 15 9 . 1 . 1 7 7 ARG H H 1 8.1210 0.0000 . 1 . . . . . 3 ARG H . 50438 15 10 . 1 . 1 7 7 ARG N N 15 120.6900 0.0000 . 1 . . . . . 3 ARG N . 50438 15 11 . 1 . 1 8 8 GLY H H 1 8.4500 0.0000 . 1 . . . . . 4 GLY H . 50438 15 12 . 1 . 1 8 8 GLY N N 15 110.1710 0.0000 . 1 . . . . . 4 GLY N . 50438 15 13 . 1 . 1 9 9 LYS H H 1 8.1760 0.0000 . 1 . . . . . 5 LYS H . 50438 15 14 . 1 . 1 9 9 LYS N N 15 121.4840 0.0000 . 1 . . . . . 5 LYS N . 50438 15 15 . 1 . 1 10 10 GLN H H 1 8.5010 0.0000 . 1 . . . . . 6 GLN H . 50438 15 16 . 1 . 1 10 10 GLN N N 15 121.9110 0.0000 . 1 . . . . . 6 GLN N . 50438 15 17 . 1 . 1 11 11 GLY H H 1 8.3920 0.0000 . 1 . . . . . 7 GLY H . 50438 15 18 . 1 . 1 11 11 GLY N N 15 110.4840 0.0000 . 1 . . . . . 7 GLY N . 50438 15 19 . 1 . 1 12 12 GLY H H 1 8.2760 0.0000 . 1 . . . . . 8 GLY H . 50438 15 20 . 1 . 1 12 12 GLY N N 15 109.3160 0.0000 . 1 . . . . . 8 GLY N . 50438 15 21 . 1 . 1 124 124 THR H H 1 8.2440 0.0000 . 1 . . . . . 120 THR H . 50438 15 22 . 1 . 1 124 124 THR N N 15 117.1690 0.0000 . 1 . . . . . 120 THR N . 50438 15 23 . 1 . 1 125 125 GLU H H 1 8.4870 0.0000 . 1 . . . . . 121 GLU H . 50438 15 24 . 1 . 1 125 125 GLU N N 15 124.3020 0.0000 . 1 . . . . . 121 GLU N . 50438 15 25 . 1 . 1 126 126 SER H H 1 8.3880 0.0000 . 1 . . . . . 122 SER H . 50438 15 26 . 1 . 1 126 126 SER N N 15 118.0370 0.0000 . 1 . . . . . 122 SER N . 50438 15 27 . 1 . 1 127 127 HIS H H 1 8.6520 0.0000 . 1 . . . . . 123 HIS H . 50438 15 28 . 1 . 1 127 127 HIS N N 15 120.9800 0.0000 . 1 . . . . . 123 HIS N . 50438 15 29 . 1 . 1 128 128 HIS H H 1 8.5510 0.0000 . 1 . . . . . 124 HIS H . 50438 15 30 . 1 . 1 128 128 HIS N N 15 120.4060 0.0000 . 1 . . . . . 124 HIS N . 50438 15 31 . 1 . 1 129 129 LYS H H 1 8.5250 0.0000 . 1 . . . . . 125 LYS H . 50438 15 32 . 1 . 1 129 129 LYS N N 15 124.2570 0.0000 . 1 . . . . . 125 LYS N . 50438 15 33 . 1 . 1 130 130 ALA H H 1 8.4520 0.0000 . 1 . . . . . 126 ALA H . 50438 15 34 . 1 . 1 130 130 ALA N N 15 126.6050 0.0000 . 1 . . . . . 126 ALA N . 50438 15 35 . 1 . 1 131 131 LYS H H 1 8.4250 0.0000 . 1 . . . . . 127 LYS H . 50438 15 36 . 1 . 1 131 131 LYS N N 15 121.7610 0.0000 . 1 . . . . . 127 LYS N . 50438 15 37 . 1 . 1 132 132 GLY H H 1 8.4400 0.0000 . 1 . . . . . 128 GLY H . 50438 15 38 . 1 . 1 132 132 GLY N N 15 111.2060 0.0000 . 1 . . . . . 128 GLY N . 50438 15 39 . 1 . 1 133 133 LYS H H 1 7.8060 0.0000 . 1 . . . . . 129 LYS H . 50438 15 40 . 1 . 1 133 133 LYS N N 15 126.2720 0.0000 . 1 . . . . . 129 LYS N . 50438 15 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_16 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_16 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 16 _Assigned_chem_shift_list.Name 'H2A_2_193nuc_25 mM KCl' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 9 '2D 1H-15N TROSY' . . . 50438 16 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 . . 50438 16 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 6 6 GLY H H 1 8.4740 0.0000 . 1 . . . . . 2 GLY H . 50438 16 2 . 1 . 1 6 6 GLY N N 15 111.2820 0.0000 . 1 . . . . . 2 GLY N . 50438 16 3 . 1 . 1 7 7 ARG H H 1 8.1450 0.0000 . 1 . . . . . 3 ARG H . 50438 16 4 . 1 . 1 7 7 ARG N N 15 120.6970 0.0000 . 1 . . . . . 3 ARG N . 50438 16 5 . 1 . 1 8 8 GLY H H 1 8.4890 0.0000 . 1 . . . . . 4 GLY H . 50438 16 6 . 1 . 1 8 8 GLY N N 15 110.4200 0.0000 . 1 . . . . . 4 GLY N . 50438 16 7 . 1 . 1 9 9 LYS H H 1 8.2080 0.0000 . 1 . . . . . 5 LYS H . 50438 16 8 . 1 . 1 9 9 LYS N N 15 121.3700 0.0000 . 1 . . . . . 5 LYS N . 50438 16 9 . 1 . 1 10 10 GLN H H 1 8.5120 0.0000 . 1 . . . . . 6 GLN H . 50438 16 10 . 1 . 1 10 10 GLN N N 15 122.1160 0.0000 . 1 . . . . . 6 GLN N . 50438 16 11 . 1 . 1 11 11 GLY H H 1 8.4310 0.0000 . 1 . . . . . 7 GLY H . 50438 16 12 . 1 . 1 11 11 GLY N N 15 110.5510 0.0000 . 1 . . . . . 7 GLY N . 50438 16 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_17 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_17 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 17 _Assigned_chem_shift_list.Name 'H2B_1_193nuc_25 mM KCl' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 9 '2D 1H-15N TROSY' . . . 50438 17 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 . . 50438 17 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 . 2 . 2 3 3 GLY H H 1 8.5520 0.0000 . 1 . . . . . -1 GLY H . 50438 17 2 . 2 . 2 3 3 GLY N N 15 110.4180 0.0000 . 1 . . . . . -1 GLY N . 50438 17 3 . 2 . 2 4 4 MET H H 1 8.0810 0.0000 . 1 . . . . . 0 MET H . 50438 17 4 . 2 . 2 4 4 MET N N 15 121.4640 0.0000 . 1 . . . . . 0 MET N . 50438 17 5 . 2 . 2 6 6 GLU H H 1 8.4100 0.0000 . 1 . . . . . 2 GLU H . 50438 17 6 . 2 . 2 6 6 GLU N N 15 122.9980 0.0000 . 1 . . . . . 2 GLU N . 50438 17 7 . 2 . 2 8 8 ALA H H 1 8.3400 0.0000 . 1 . . . . . 4 ALA H . 50438 17 8 . 2 . 2 8 8 ALA N N 15 124.5190 0.0000 . 1 . . . . . 4 ALA N . 50438 17 9 . 2 . 2 9 9 LYS H H 1 8.2540 0.0000 . 1 . . . . . 5 LYS H . 50438 17 10 . 2 . 2 9 9 LYS N N 15 121.2720 0.0000 . 1 . . . . . 5 LYS N . 50438 17 11 . 2 . 2 10 10 SER H H 1 8.2430 0.0000 . 1 . . . . . 6 SER H . 50438 17 12 . 2 . 2 10 10 SER N N 15 117.8070 0.0000 . 1 . . . . . 6 SER N . 50438 17 13 . 2 . 2 11 11 ALA H H 1 8.2630 0.0000 . 1 . . . . . 7 ALA H . 50438 17 14 . 2 . 2 11 11 ALA N N 15 127.4800 0.0000 . 1 . . . . . 7 ALA N . 50438 17 15 . 2 . 2 13 13 ALA H H 1 8.3650 0.0000 . 1 . . . . . 9 ALA H . 50438 17 16 . 2 . 2 13 13 ALA N N 15 126.2040 0.0000 . 1 . . . . . 9 ALA N . 50438 17 17 . 2 . 2 15 15 LYS H H 1 8.4020 0.0000 . 1 . . . . . 11 LYS H . 50438 17 18 . 2 . 2 15 15 LYS N N 15 122.6070 0.0000 . 1 . . . . . 11 LYS N . 50438 17 19 . 2 . 2 16 16 LYS H H 1 8.4410 0.0000 . 1 . . . . . 12 LYS H . 50438 17 20 . 2 . 2 16 16 LYS N N 15 123.7680 0.0000 . 1 . . . . . 12 LYS N . 50438 17 21 . 2 . 2 17 17 GLY H H 1 8.4960 0.0000 . 1 . . . . . 13 GLY H . 50438 17 22 . 2 . 2 17 17 GLY N N 15 111.1250 0.0000 . 1 . . . . . 13 GLY N . 50438 17 23 . 2 . 2 18 18 SER H H 1 8.1770 0.0000 . 1 . . . . . 14 SER H . 50438 17 24 . 2 . 2 18 18 SER N N 15 116.1850 0.0000 . 1 . . . . . 14 SER N . 50438 17 25 . 2 . 2 19 19 LYS H H 1 8.4800 0.0000 . 1 . . . . . 15 LYS H . 50438 17 26 . 2 . 2 19 19 LYS N N 15 124.0780 0.0000 . 1 . . . . . 15 LYS N . 50438 17 27 . 2 . 2 20 20 LYS H H 1 8.3000 0.0000 . 1 . . . . . 16 LYS H . 50438 17 28 . 2 . 2 20 20 LYS N N 15 123.0910 0.0000 . 1 . . . . . 16 LYS N . 50438 17 29 . 2 . 2 21 21 ALA H H 1 8.2960 0.0000 . 1 . . . . . 17 ALA H . 50438 17 30 . 2 . 2 21 21 ALA N N 15 125.9350 0.0000 . 1 . . . . . 17 ALA N . 50438 17 31 . 2 . 2 22 22 VAL H H 1 8.1370 0.0000 . 1 . . . . . 18 VAL H . 50438 17 32 . 2 . 2 22 22 VAL N N 15 120.3130 0.0000 . 1 . . . . . 18 VAL N . 50438 17 33 . 2 . 2 23 23 THR H H 1 8.2060 0.0000 . 1 . . . . . 19 THR H . 50438 17 34 . 2 . 2 23 23 THR N N 15 118.9810 0.0000 . 1 . . . . . 19 THR N . 50438 17 35 . 2 . 2 24 24 LYS H H 1 8.3580 0.0000 . 1 . . . . . 20 LYS H . 50438 17 36 . 2 . 2 24 24 LYS N N 15 124.6960 0.0000 . 1 . . . . . 20 LYS N . 50438 17 37 . 2 . 2 25 25 ALA H H 1 8.2840 0.0000 . 1 . . . . . 21 ALA H . 50438 17 38 . 2 . 2 25 25 ALA N N 15 125.2930 0.0000 . 1 . . . . . 21 ALA N . 50438 17 39 . 2 . 2 26 26 GLN H H 1 8.2770 0.0000 . 1 . . . . . 22 GLN H . 50438 17 40 . 2 . 2 26 26 GLN N N 15 120.2030 0.0000 . 1 . . . . . 22 GLN N . 50438 17 41 . 2 . 2 27 27 LYS H H 1 8.3490 0.0000 . 1 . . . . . 23 LYS H . 50438 17 42 . 2 . 2 27 27 LYS N N 15 123.6170 0.0000 . 1 . . . . . 23 LYS N . 50438 17 43 . 2 . 2 28 28 LYS H H 1 8.4580 0.0000 . 1 . . . . . 24 LYS H . 50438 17 44 . 2 . 2 28 28 LYS N N 15 123.5260 0.0000 . 1 . . . . . 24 LYS N . 50438 17 45 . 2 . 2 29 29 ASP H H 1 8.2760 0.0000 . 1 . . . . . 25 ASP H . 50438 17 46 . 2 . 2 29 29 ASP N N 15 121.3690 0.0000 . 1 . . . . . 25 ASP N . 50438 17 47 . 2 . 2 30 30 GLY H H 1 8.2290 0.0000 . 1 . . . . . 26 GLY H . 50438 17 48 . 2 . 2 30 30 GLY N N 15 109.4510 0.0000 . 1 . . . . . 26 GLY N . 50438 17 49 . 2 . 2 31 31 LYS H H 1 8.0480 0.0000 . 1 . . . . . 27 LYS H . 50438 17 50 . 2 . 2 31 31 LYS N N 15 121.5360 0.0000 . 1 . . . . . 27 LYS N . 50438 17 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_18 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_18 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 18 _Assigned_chem_shift_list.Name 'H2B_2_193nuc_25 mM KCl' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 9 '2D 1H-15N TROSY' . . . 50438 18 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 . . 50438 18 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 . 2 . 2 10 10 SER H H 1 8.2700 0.0000 . 1 . . . . . 6 SER H . 50438 18 2 . 2 . 2 10 10 SER N N 15 117.9480 0.0000 . 1 . . . . . 6 SER N . 50438 18 3 . 2 . 2 21 21 ALA H H 1 8.3170 0.0000 . 1 . . . . . 17 ALA H . 50438 18 4 . 2 . 2 21 21 ALA N N 15 126.0750 0.0000 . 1 . . . . . 17 ALA N . 50438 18 5 . 2 . 2 22 22 VAL H H 1 8.1600 0.0000 . 1 . . . . . 18 VAL H . 50438 18 6 . 2 . 2 22 22 VAL N N 15 120.4300 0.0000 . 1 . . . . . 18 VAL N . 50438 18 7 . 2 . 2 23 23 THR H H 1 8.2250 0.0000 . 1 . . . . . 19 THR H . 50438 18 8 . 2 . 2 23 23 THR N N 15 119.2510 0.0000 . 1 . . . . . 19 THR N . 50438 18 9 . 2 . 2 24 24 LYS H H 1 8.3830 0.0000 . 1 . . . . . 20 LYS H . 50438 18 10 . 2 . 2 24 24 LYS N N 15 124.8250 0.0000 . 1 . . . . . 20 LYS N . 50438 18 11 . 2 . 2 25 25 ALA H H 1 8.3150 0.0000 . 1 . . . . . 21 ALA H . 50438 18 12 . 2 . 2 25 25 ALA N N 15 125.5680 0.0000 . 1 . . . . . 21 ALA N . 50438 18 13 . 2 . 2 26 26 GLN H H 1 8.3030 0.0000 . 1 . . . . . 22 GLN H . 50438 18 14 . 2 . 2 26 26 GLN N N 15 120.3510 0.0000 . 1 . . . . . 22 GLN N . 50438 18 15 . 2 . 2 27 27 LYS H H 1 8.3640 0.0000 . 1 . . . . . 23 LYS H . 50438 18 16 . 2 . 2 27 27 LYS N N 15 123.7460 0.0000 . 1 . . . . . 23 LYS N . 50438 18 17 . 2 . 2 28 28 LYS H H 1 8.4880 0.0000 . 1 . . . . . 24 LYS H . 50438 18 18 . 2 . 2 28 28 LYS N N 15 123.6720 0.0000 . 1 . . . . . 24 LYS N . 50438 18 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_19 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_19 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 19 _Assigned_chem_shift_list.Name 'H2A_1_193nuc_400 mM KCl' _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 10 '2D 1H-15N TROSY' . . . 50438 19 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 . . 50438 19 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 3 3 GLY H H 1 8.5710 0.0000 . 1 . . . . . -1 GLY H . 50438 19 2 . 1 . 1 3 3 GLY N N 15 110.2260 0.0000 . 1 . . . . . -1 GLY N . 50438 19 3 . 1 . 1 4 4 MET H H 1 8.2710 0.0000 . 1 . . . . . 0 MET H . 50438 19 4 . 1 . 1 4 4 MET N N 15 120.5760 0.0000 . 1 . . . . . 0 MET N . 50438 19 5 . 1 . 1 5 5 SER H H 1 8.3960 0.0000 . 1 . . . . . 1 SER H . 50438 19 6 . 1 . 1 5 5 SER N N 15 117.5130 0.0000 . 1 . . . . . 1 SER N . 50438 19 7 . 1 . 1 6 6 GLY H H 1 8.4270 0.0000 . 1 . . . . . 2 GLY H . 50438 19 8 . 1 . 1 6 6 GLY N N 15 111.2920 0.0000 . 1 . . . . . 2 GLY N . 50438 19 9 . 1 . 1 7 7 ARG H H 1 8.1740 0.0000 . 1 . . . . . 3 ARG H . 50438 19 10 . 1 . 1 7 7 ARG N N 15 120.8610 0.0000 . 1 . . . . . 3 ARG N . 50438 19 11 . 1 . 1 8 8 GLY H H 1 8.4450 0.0000 . 1 . . . . . 4 GLY H . 50438 19 12 . 1 . 1 8 8 GLY N N 15 110.3090 0.0000 . 1 . . . . . 4 GLY N . 50438 19 13 . 1 . 1 9 9 LYS H H 1 8.2270 0.0000 . 1 . . . . . 5 LYS H . 50438 19 14 . 1 . 1 9 9 LYS N N 15 121.5510 0.0000 . 1 . . . . . 5 LYS N . 50438 19 15 . 1 . 1 10 10 GLN H H 1 8.5000 0.0000 . 1 . . . . . 6 GLN H . 50438 19 16 . 1 . 1 10 10 GLN N N 15 121.9340 0.0000 . 1 . . . . . 6 GLN N . 50438 19 17 . 1 . 1 11 11 GLY H H 1 8.3970 0.0000 . 1 . . . . . 7 GLY H . 50438 19 18 . 1 . 1 11 11 GLY N N 15 110.6070 0.0000 . 1 . . . . . 7 GLY N . 50438 19 19 . 1 . 1 12 12 GLY H H 1 8.2460 0.0000 . 1 . . . . . 8 GLY H . 50438 19 20 . 1 . 1 12 12 GLY N N 15 109.3430 0.0000 . 1 . . . . . 8 GLY N . 50438 19 21 . 1 . 1 124 124 THR H H 1 8.2620 0.0000 . 1 . . . . . 120 THR H . 50438 19 22 . 1 . 1 124 124 THR N N 15 116.9730 0.0000 . 1 . . . . . 120 THR N . 50438 19 23 . 1 . 1 125 125 GLU H H 1 8.5130 0.0000 . 1 . . . . . 121 GLU H . 50438 19 24 . 1 . 1 125 125 GLU N N 15 124.4410 0.0000 . 1 . . . . . 121 GLU N . 50438 19 25 . 1 . 1 126 126 SER H H 1 8.4110 0.0000 . 1 . . . . . 122 SER H . 50438 19 26 . 1 . 1 126 126 SER N N 15 117.9170 0.0000 . 1 . . . . . 122 SER N . 50438 19 27 . 1 . 1 127 127 HIS H H 1 8.6300 0.0000 . 1 . . . . . 123 HIS H . 50438 19 28 . 1 . 1 127 127 HIS N N 15 121.1850 0.0000 . 1 . . . . . 123 HIS N . 50438 19 29 . 1 . 1 128 128 HIS H H 1 8.5190 0.0000 . 1 . . . . . 124 HIS H . 50438 19 30 . 1 . 1 128 128 HIS N N 15 120.6000 0.0000 . 1 . . . . . 124 HIS N . 50438 19 31 . 1 . 1 129 129 LYS H H 1 8.4910 0.0000 . 1 . . . . . 125 LYS H . 50438 19 32 . 1 . 1 129 129 LYS N N 15 124.1400 0.0000 . 1 . . . . . 125 LYS N . 50438 19 33 . 1 . 1 130 130 ALA H H 1 8.4520 0.0000 . 1 . . . . . 126 ALA H . 50438 19 34 . 1 . 1 130 130 ALA N N 15 126.5560 0.0000 . 1 . . . . . 126 ALA N . 50438 19 35 . 1 . 1 131 131 LYS H H 1 8.4100 0.0000 . 1 . . . . . 127 LYS H . 50438 19 36 . 1 . 1 131 131 LYS N N 15 121.7390 0.0000 . 1 . . . . . 127 LYS N . 50438 19 37 . 1 . 1 132 132 GLY H H 1 8.4470 0.0000 . 1 . . . . . 128 GLY H . 50438 19 38 . 1 . 1 132 132 GLY N N 15 111.2940 0.0000 . 1 . . . . . 128 GLY N . 50438 19 39 . 1 . 1 133 133 LYS H H 1 7.8340 0.0000 . 1 . . . . . 129 LYS H . 50438 19 40 . 1 . 1 133 133 LYS N N 15 126.4200 0.0000 . 1 . . . . . 129 LYS N . 50438 19 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_20 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_20 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 20 _Assigned_chem_shift_list.Name 'H2A_2_193nuc_400 mM KCl' _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 10 '2D 1H-15N TROSY' . . . 50438 20 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 . . 50438 20 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 8 8 GLY H H 1 8.4530 0.0000 . 1 . . . . . 4 GLY H . 50438 20 2 . 1 . 1 8 8 GLY N N 15 110.3500 0.0000 . 1 . . . . . 4 GLY N . 50438 20 3 . 1 . 1 11 11 GLY H H 1 8.4160 0.0000 . 1 . . . . . 7 GLY H . 50438 20 4 . 1 . 1 11 11 GLY N N 15 110.6810 0.0000 . 1 . . . . . 7 GLY N . 50438 20 5 . 1 . 1 133 133 LYS H H 1 7.8630 0.0000 . 1 . . . . . 129 LYS H . 50438 20 6 . 1 . 1 133 133 LYS N N 15 126.4780 0.0000 . 1 . . . . . 129 LYS N . 50438 20 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_21 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_21 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 21 _Assigned_chem_shift_list.Name 'H2B_193nuc_400 mM KCl' _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 10 '2D 1H-15N TROSY' . . . 50438 21 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 . . 50438 21 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 . 2 . 2 3 3 GLY H H 1 8.5520 0.0000 . 1 . . . . . -1 GLY H . 50438 21 2 . 2 . 2 3 3 GLY N N 15 110.4310 0.0000 . 1 . . . . . -1 GLY N . 50438 21 3 . 2 . 2 4 4 MET H H 1 8.1190 0.0000 . 1 . . . . . 0 MET H . 50438 21 4 . 2 . 2 4 4 MET N N 15 121.5760 0.0000 . 1 . . . . . 0 MET N . 50438 21 5 . 2 . 2 6 6 GLU H H 1 8.4480 0.0000 . 1 . . . . . 2 GLU H . 50438 21 6 . 2 . 2 6 6 GLU N N 15 123.1110 0.0000 . 1 . . . . . 2 GLU N . 50438 21 7 . 2 . 2 8 8 ALA H H 1 8.3740 0.0000 . 1 . . . . . 4 ALA H . 50438 21 8 . 2 . 2 8 8 ALA N N 15 124.6060 0.0000 . 1 . . . . . 4 ALA N . 50438 21 9 . 2 . 2 9 9 LYS H H 1 8.2850 0.0000 . 1 . . . . . 5 LYS H . 50438 21 10 . 2 . 2 9 9 LYS N N 15 121.2480 0.0000 . 1 . . . . . 5 LYS N . 50438 21 11 . 2 . 2 10 10 SER H H 1 8.2270 0.0000 . 1 . . . . . 6 SER H . 50438 21 12 . 2 . 2 10 10 SER N N 15 117.5160 0.0000 . 1 . . . . . 6 SER N . 50438 21 13 . 2 . 2 11 11 ALA H H 1 8.2760 0.0000 . 1 . . . . . 7 ALA H . 50438 21 14 . 2 . 2 11 11 ALA N N 15 127.5700 0.0000 . 1 . . . . . 7 ALA N . 50438 21 15 . 2 . 2 13 13 ALA H H 1 8.3690 0.0000 . 1 . . . . . 9 ALA H . 50438 21 16 . 2 . 2 13 13 ALA N N 15 126.2570 0.0000 . 1 . . . . . 9 ALA N . 50438 21 17 . 2 . 2 15 15 LYS H H 1 8.4030 0.0000 . 1 . . . . . 11 LYS H . 50438 21 18 . 2 . 2 15 15 LYS N N 15 122.5270 0.0000 . 1 . . . . . 11 LYS N . 50438 21 19 . 2 . 2 16 16 LYS H H 1 8.4070 0.0000 . 1 . . . . . 12 LYS H . 50438 21 20 . 2 . 2 16 16 LYS N N 15 123.7730 0.0000 . 1 . . . . . 12 LYS N . 50438 21 21 . 2 . 2 17 17 GLY H H 1 8.4720 0.0000 . 1 . . . . . 13 GLY H . 50438 21 22 . 2 . 2 17 17 GLY N N 15 111.2590 0.0000 . 1 . . . . . 13 GLY N . 50438 21 23 . 2 . 2 18 18 SER H H 1 8.1680 0.0000 . 1 . . . . . 14 SER H . 50438 21 24 . 2 . 2 18 18 SER N N 15 116.2170 0.0000 . 1 . . . . . 14 SER N . 50438 21 25 . 2 . 2 19 19 LYS H H 1 8.4070 0.0000 . 1 . . . . . 15 LYS H . 50438 21 26 . 2 . 2 19 19 LYS N N 15 123.9820 0.0000 . 1 . . . . . 15 LYS N . 50438 21 27 . 2 . 2 20 20 LYS H H 1 8.2700 0.0000 . 1 . . . . . 16 LYS H . 50438 21 28 . 2 . 2 20 20 LYS N N 15 123.4000 0.0000 . 1 . . . . . 16 LYS N . 50438 21 29 . 2 . 2 21 21 ALA H H 1 8.3010 0.0000 . 1 . . . . . 17 ALA H . 50438 21 30 . 2 . 2 21 21 ALA N N 15 126.2880 0.0000 . 1 . . . . . 17 ALA N . 50438 21 31 . 2 . 2 22 22 VAL H H 1 8.1600 0.0000 . 1 . . . . . 18 VAL H . 50438 21 32 . 2 . 2 22 22 VAL N N 15 120.5190 0.0000 . 1 . . . . . 18 VAL N . 50438 21 33 . 2 . 2 23 23 THR H H 1 8.2140 0.0000 . 1 . . . . . 19 THR H . 50438 21 34 . 2 . 2 23 23 THR N N 15 119.1450 0.0000 . 1 . . . . . 19 THR N . 50438 21 35 . 2 . 2 24 24 LYS H H 1 8.3480 0.0000 . 1 . . . . . 20 LYS H . 50438 21 36 . 2 . 2 24 24 LYS N N 15 124.6160 0.0000 . 1 . . . . . 20 LYS N . 50438 21 37 . 2 . 2 25 25 ALA H H 1 8.2910 0.0000 . 1 . . . . . 21 ALA H . 50438 21 38 . 2 . 2 25 25 ALA N N 15 125.5480 0.0000 . 1 . . . . . 21 ALA N . 50438 21 39 . 2 . 2 26 26 GLN H H 1 8.2800 0.0000 . 1 . . . . . 22 GLN H . 50438 21 40 . 2 . 2 26 26 GLN N N 15 120.3470 0.0000 . 1 . . . . . 22 GLN N . 50438 21 41 . 2 . 2 27 27 LYS H H 1 8.3310 0.0000 . 1 . . . . . 23 LYS H . 50438 21 42 . 2 . 2 27 27 LYS N N 15 123.6390 0.0000 . 1 . . . . . 23 LYS N . 50438 21 43 . 2 . 2 28 28 LYS H H 1 8.4360 0.0000 . 1 . . . . . 24 LYS H . 50438 21 44 . 2 . 2 28 28 LYS N N 15 123.5720 0.0000 . 1 . . . . . 24 LYS N . 50438 21 45 . 2 . 2 29 29 ASP H H 1 8.3050 0.0000 . 1 . . . . . 25 ASP H . 50438 21 46 . 2 . 2 29 29 ASP N N 15 121.7940 0.0000 . 1 . . . . . 25 ASP N . 50438 21 47 . 2 . 2 30 30 GLY H H 1 8.2580 0.0000 . 1 . . . . . 26 GLY H . 50438 21 48 . 2 . 2 30 30 GLY N N 15 109.6340 0.0000 . 1 . . . . . 26 GLY N . 50438 21 49 . 2 . 2 31 31 LYS H H 1 8.1430 0.0000 . 1 . . . . . 27 LYS H . 50438 21 50 . 2 . 2 31 31 LYS N N 15 121.6370 0.0000 . 1 . . . . . 27 LYS N . 50438 21 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_22 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_22 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 22 _Assigned_chem_shift_list.Name H2A_1_278K _Assigned_chem_shift_list.Sample_condition_list_ID 5 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_5 _Assigned_chem_shift_list.Chem_shift_reference_ID 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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 11 '2D 1H-15N TROSY' . . . 50438 22 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 . . 50438 22 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 3 3 GLY H H 1 8.7240 0.0000 . 1 . . . . . -1 GLY H . 50438 22 2 . 1 . 1 3 3 GLY N N 15 110.3930 0.0000 . 1 . . . . . -1 GLY N . 50438 22 3 . 1 . 1 4 4 MET H H 1 8.4040 0.0000 . 1 . . . . . 0 MET H . 50438 22 4 . 1 . 1 4 4 MET N N 15 120.5600 0.0000 . 1 . . . . . 0 MET N . 50438 22 5 . 1 . 1 5 5 SER H H 1 8.5020 0.0000 . 1 . . . . . 1 SER H . 50438 22 6 . 1 . 1 5 5 SER N N 15 117.6610 0.0000 . 1 . . . . . 1 SER N . 50438 22 7 . 1 . 1 6 6 GLY H H 1 8.5930 0.0000 . 1 . . . . . 2 GLY H . 50438 22 8 . 1 . 1 6 6 GLY N N 15 111.5110 0.0000 . 1 . . . . . 2 GLY N . 50438 22 9 . 1 . 1 7 7 ARG H H 1 8.2320 0.0000 . 1 . . . . . 3 ARG H . 50438 22 10 . 1 . 1 7 7 ARG N N 15 120.7550 0.0000 . 1 . . . . . 3 ARG N . 50438 22 11 . 1 . 1 8 8 GLY H H 1 8.5830 0.0000 . 1 . . . . . 4 GLY H . 50438 22 12 . 1 . 1 8 8 GLY N N 15 110.3200 0.0000 . 1 . . . . . 4 GLY N . 50438 22 13 . 1 . 1 9 9 LYS H H 1 8.3010 0.0000 . 1 . . . . . 5 LYS H . 50438 22 14 . 1 . 1 9 9 LYS N N 15 121.5080 0.0000 . 1 . . . . . 5 LYS N . 50438 22 15 . 1 . 1 10 10 GLN H H 1 8.6540 0.0000 . 1 . . . . . 6 GLN H . 50438 22 16 . 1 . 1 10 10 GLN N N 15 122.1630 0.0000 . 1 . . . . . 6 GLN N . 50438 22 17 . 1 . 1 11 11 GLY H H 1 8.5340 0.0000 . 1 . . . . . 7 GLY H . 50438 22 18 . 1 . 1 11 11 GLY N N 15 110.6980 0.0000 . 1 . . . . . 7 GLY N . 50438 22 19 . 1 . 1 12 12 GLY H H 1 8.3990 0.0000 . 1 . . . . . 8 GLY H . 50438 22 20 . 1 . 1 12 12 GLY N N 15 109.4040 0.0000 . 1 . . . . . 8 GLY N . 50438 22 21 . 1 . 1 130 130 ALA H H 1 8.6130 0.0000 . 1 . . . . . 126 ALA H . 50438 22 22 . 1 . 1 130 130 ALA N N 15 126.8970 0.0000 . 1 . . . . . 126 ALA N . 50438 22 23 . 1 . 1 131 131 LYS H H 1 8.5860 0.0000 . 1 . . . . . 127 LYS H . 50438 22 24 . 1 . 1 131 131 LYS N N 15 122.1310 0.0000 . 1 . . . . . 127 LYS N . 50438 22 25 . 1 . 1 132 132 GLY H H 1 8.5720 0.0000 . 1 . . . . . 128 GLY H . 50438 22 26 . 1 . 1 132 132 GLY N N 15 111.4100 0.0000 . 1 . . . . . 128 GLY N . 50438 22 27 . 1 . 1 133 133 LYS H H 1 7.9560 0.0000 . 1 . . . . . 129 LYS H . 50438 22 28 . 1 . 1 133 133 LYS N N 15 126.4090 0.0000 . 1 . . . . . 129 LYS N . 50438 22 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_23 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_23 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 23 _Assigned_chem_shift_list.Name H2A_2_278K _Assigned_chem_shift_list.Sample_condition_list_ID 5 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_5 _Assigned_chem_shift_list.Chem_shift_reference_ID 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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 11 '2D 1H-15N TROSY' . . . 50438 23 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 . . 50438 23 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 6 6 GLY H H 1 8.6220 0.0000 . 1 . . . . . 2 GLY H . 50438 23 2 . 1 . 1 6 6 GLY N N 15 111.4360 0.0000 . 1 . . . . . 2 GLY N . 50438 23 3 . 1 . 1 7 7 ARG H H 1 8.2660 0.0000 . 1 . . . . . 3 ARG H . 50438 23 4 . 1 . 1 7 7 ARG N N 15 120.7630 0.0000 . 1 . . . . . 3 ARG N . 50438 23 5 . 1 . 1 8 8 GLY H H 1 8.6520 0.0000 . 1 . . . . . 4 GLY H . 50438 23 6 . 1 . 1 8 8 GLY N N 15 110.7490 0.0000 . 1 . . . . . 4 GLY N . 50438 23 7 . 1 . 1 9 9 LYS H H 1 8.3430 0.0000 . 1 . . . . . 5 LYS H . 50438 23 8 . 1 . 1 9 9 LYS N N 15 121.5120 0.0000 . 1 . . . . . 5 LYS N . 50438 23 9 . 1 . 1 10 10 GLN H H 1 8.6650 0.0000 . 1 . . . . . 6 GLN H . 50438 23 10 . 1 . 1 10 10 GLN N N 15 122.3220 0.0000 . 1 . . . . . 6 GLN N . 50438 23 11 . 1 . 1 11 11 GLY H H 1 8.5760 0.0000 . 1 . . . . . 7 GLY H . 50438 23 12 . 1 . 1 11 11 GLY N N 15 110.7760 0.0000 . 1 . . . . . 7 GLY N . 50438 23 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_24 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_24 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 24 _Assigned_chem_shift_list.Name H2B_1_278K _Assigned_chem_shift_list.Sample_condition_list_ID 5 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_5 _Assigned_chem_shift_list.Chem_shift_reference_ID 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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 11 '2D 1H-15N TROSY' . . . 50438 24 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 . . 50438 24 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 . 2 . 2 3 3 GLY H H 1 8.7030 0.0000 . 1 . . . . . -1 GLY H . 50438 24 2 . 2 . 2 3 3 GLY N N 15 110.7040 0.0000 . 1 . . . . . -1 GLY N . 50438 24 3 . 2 . 2 4 4 MET H H 1 8.2220 0.0000 . 1 . . . . . 0 MET H . 50438 24 4 . 2 . 2 4 4 MET N N 15 121.6360 0.0000 . 1 . . . . . 0 MET N . 50438 24 5 . 2 . 2 6 6 GLU H H 1 8.5850 0.0000 . 1 . . . . . 2 GLU H . 50438 24 6 . 2 . 2 6 6 GLU N N 15 123.3340 0.0000 . 1 . . . . . 2 GLU N . 50438 24 7 . 2 . 2 8 8 ALA H H 1 8.5070 0.0000 . 1 . . . . . 4 ALA H . 50438 24 8 . 2 . 2 8 8 ALA N N 15 124.8840 0.0000 . 1 . . . . . 4 ALA N . 50438 24 9 . 2 . 2 9 9 LYS H H 1 8.4360 0.0000 . 1 . . . . . 5 LYS H . 50438 24 10 . 2 . 2 9 9 LYS N N 15 121.7070 0.0000 . 1 . . . . . 5 LYS N . 50438 24 11 . 2 . 2 10 10 SER H H 1 8.4140 0.0000 . 1 . . . . . 6 SER H . 50438 24 12 . 2 . 2 10 10 SER N N 15 118.2500 0.0000 . 1 . . . . . 6 SER N . 50438 24 13 . 2 . 2 11 11 ALA H H 1 8.4410 0.0000 . 1 . . . . . 7 ALA H . 50438 24 14 . 2 . 2 11 11 ALA N N 15 127.6880 0.0000 . 1 . . . . . 7 ALA N . 50438 24 15 . 2 . 2 13 13 ALA H H 1 8.5450 0.0000 . 1 . . . . . 9 ALA H . 50438 24 16 . 2 . 2 13 13 ALA N N 15 126.5070 0.0000 . 1 . . . . . 9 ALA N . 50438 24 17 . 2 . 2 15 15 LYS H H 1 8.5620 0.0000 . 1 . . . . . 11 LYS H . 50438 24 18 . 2 . 2 15 15 LYS N N 15 122.9550 0.0000 . 1 . . . . . 11 LYS N . 50438 24 19 . 2 . 2 16 16 LYS H H 1 8.6140 0.0000 . 1 . . . . . 12 LYS H . 50438 24 20 . 2 . 2 16 16 LYS N N 15 124.2390 0.0000 . 1 . . . . . 12 LYS N . 50438 24 21 . 2 . 2 17 17 GLY H H 1 8.6460 0.0000 . 1 . . . . . 13 GLY H . 50438 24 22 . 2 . 2 17 17 GLY N N 15 111.4550 0.0000 . 1 . . . . . 13 GLY N . 50438 24 23 . 2 . 2 18 18 SER H H 1 8.2920 0.0000 . 1 . . . . . 14 SER H . 50438 24 24 . 2 . 2 18 18 SER N N 15 116.3480 0.0000 . 1 . . . . . 14 SER N . 50438 24 25 . 2 . 2 19 19 LYS H H 1 8.6230 0.0000 . 1 . . . . . 15 LYS H . 50438 24 26 . 2 . 2 19 19 LYS N N 15 124.3050 0.0000 . 1 . . . . . 15 LYS N . 50438 24 27 . 2 . 2 20 20 LYS H H 1 8.4460 0.0000 . 1 . . . . . 16 LYS H . 50438 24 28 . 2 . 2 20 20 LYS N N 15 123.4900 0.0000 . 1 . . . . . 16 LYS N . 50438 24 29 . 2 . 2 21 21 ALA H H 1 8.4540 0.0000 . 1 . . . . . 17 ALA H . 50438 24 30 . 2 . 2 21 21 ALA N N 15 126.3640 0.0000 . 1 . . . . . 17 ALA N . 50438 24 31 . 2 . 2 22 22 VAL H H 1 8.3260 0.0000 . 1 . . . . . 18 VAL H . 50438 24 32 . 2 . 2 22 22 VAL N N 15 121.0100 0.0000 . 1 . . . . . 18 VAL N . 50438 24 33 . 2 . 2 23 23 THR H H 1 8.3850 0.0000 . 1 . . . . . 19 THR H . 50438 24 34 . 2 . 2 23 23 THR N N 15 119.7980 0.0000 . 1 . . . . . 19 THR N . 50438 24 35 . 2 . 2 24 24 LYS H H 1 8.5260 0.0000 . 1 . . . . . 20 LYS H . 50438 24 36 . 2 . 2 24 24 LYS N N 15 125.0570 0.0000 . 1 . . . . . 20 LYS N . 50438 24 37 . 2 . 2 25 25 ALA H H 1 8.4440 0.0000 . 1 . . . . . 21 ALA H . 50438 24 38 . 2 . 2 25 25 ALA N N 15 125.6190 0.0000 . 1 . . . . . 21 ALA N . 50438 24 39 . 2 . 2 26 26 GLN H H 1 8.4380 0.0000 . 1 . . . . . 22 GLN H . 50438 24 40 . 2 . 2 26 26 GLN N N 15 120.6840 0.0000 . 1 . . . . . 22 GLN N . 50438 24 41 . 2 . 2 27 27 LYS H H 1 8.4910 0.0000 . 1 . . . . . 23 LYS H . 50438 24 42 . 2 . 2 27 27 LYS N N 15 124.0210 0.0000 . 1 . . . . . 23 LYS N . 50438 24 43 . 2 . 2 29 29 ASP H H 1 8.4550 0.0000 . 1 . . . . . 25 ASP H . 50438 24 44 . 2 . 2 29 29 ASP N N 15 121.8330 0.0000 . 1 . . . . . 25 ASP N . 50438 24 45 . 2 . 2 30 30 GLY H H 1 8.3650 0.0000 . 1 . . . . . 26 GLY H . 50438 24 46 . 2 . 2 30 30 GLY N N 15 109.5110 0.0000 . 1 . . . . . 26 GLY N . 50438 24 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_25 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_25 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 25 _Assigned_chem_shift_list.Name H2B_2_278K _Assigned_chem_shift_list.Sample_condition_list_ID 5 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_5 _Assigned_chem_shift_list.Chem_shift_reference_ID 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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 11 '2D 1H-15N TROSY' . . . 50438 25 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 . . 50438 25 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 . 2 . 2 10 10 SER H H 1 8.4370 0.0000 . 1 . . . . . 6 SER H . 50438 25 2 . 2 . 2 10 10 SER N N 15 118.3880 0.0000 . 1 . . . . . 6 SER N . 50438 25 3 . 2 . 2 21 21 ALA H H 1 8.4840 0.0000 . 1 . . . . . 17 ALA H . 50438 25 4 . 2 . 2 21 21 ALA N N 15 126.5190 0.0000 . 1 . . . . . 17 ALA N . 50438 25 5 . 2 . 2 22 22 VAL H H 1 8.3450 0.0000 . 1 . . . . . 18 VAL H . 50438 25 6 . 2 . 2 22 22 VAL N N 15 121.1270 0.0000 . 1 . . . . . 18 VAL N . 50438 25 7 . 2 . 2 23 23 THR H H 1 8.4080 0.0000 . 1 . . . . . 19 THR H . 50438 25 8 . 2 . 2 23 23 THR N N 15 120.1360 0.0000 . 1 . . . . . 19 THR N . 50438 25 9 . 2 . 2 25 25 ALA H H 1 8.4680 0.0000 . 1 . . . . . 21 ALA H . 50438 25 10 . 2 . 2 25 25 ALA N N 15 125.9430 0.0000 . 1 . . . . . 21 ALA N . 50438 25 11 . 2 . 2 26 26 GLN H H 1 8.4590 0.0000 . 1 . . . . . 22 GLN H . 50438 25 12 . 2 . 2 26 26 GLN N N 15 120.6730 0.0000 . 1 . . . . . 22 GLN N . 50438 25 13 . 2 . 2 27 27 LYS H H 1 8.5240 0.0000 . 1 . . . . . 23 LYS H . 50438 25 14 . 2 . 2 27 27 LYS N N 15 124.2440 0.0000 . 1 . . . . . 23 LYS N . 50438 25 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_26 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_26 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 26 _Assigned_chem_shift_list.Name H2A_1_283K _Assigned_chem_shift_list.Sample_condition_list_ID 6 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_6 _Assigned_chem_shift_list.Chem_shift_reference_ID 3 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_3 _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 12 '2D 1H-15N' . . . 50438 26 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 . . 50438 26 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 3 3 GLY H H 1 8.6890 0.0000 . 1 . . . . . -1 GLY H . 50438 26 2 . 1 . 1 3 3 GLY N N 15 110.3160 0.0000 . 1 . . . . . -1 GLY N . 50438 26 3 . 1 . 1 4 4 MET H H 1 8.3710 0.0000 . 1 . . . . . 0 MET H . 50438 26 4 . 1 . 1 4 4 MET N N 15 120.5340 0.0000 . 1 . . . . . 0 MET N . 50438 26 5 . 1 . 1 5 5 SER H H 1 8.4690 0.0000 . 1 . . . . . 1 SER H . 50438 26 6 . 1 . 1 5 5 SER N N 15 117.6030 0.0000 . 1 . . . . . 1 SER N . 50438 26 7 . 1 . 1 6 6 GLY H H 1 8.5530 0.0000 . 1 . . . . . 2 GLY H . 50438 26 8 . 1 . 1 6 6 GLY N N 15 111.4200 0.0000 . 1 . . . . . 2 GLY N . 50438 26 9 . 1 . 1 7 7 ARG H H 1 8.2050 0.0000 . 1 . . . . . 3 ARG H . 50438 26 10 . 1 . 1 7 7 ARG N N 15 120.7120 0.0000 . 1 . . . . . 3 ARG N . 50438 26 11 . 1 . 1 8 8 GLY H H 1 8.5510 0.0000 . 1 . . . . . 4 GLY H . 50438 26 12 . 1 . 1 8 8 GLY N N 15 110.2920 0.0000 . 1 . . . . . 4 GLY N . 50438 26 13 . 1 . 1 9 9 LYS H H 1 8.2700 0.0000 . 1 . . . . . 5 LYS H . 50438 26 14 . 1 . 1 9 9 LYS N N 15 121.4780 0.0000 . 1 . . . . . 5 LYS N . 50438 26 15 . 1 . 1 10 10 GLN H H 1 8.6170 0.0000 . 1 . . . . . 6 GLN H . 50438 26 16 . 1 . 1 10 10 GLN N N 15 122.1030 0.0000 . 1 . . . . . 6 GLN N . 50438 26 17 . 1 . 1 11 11 GLY H H 1 8.4980 0.0000 . 1 . . . . . 7 GLY H . 50438 26 18 . 1 . 1 11 11 GLY N N 15 110.6160 0.0000 . 1 . . . . . 7 GLY N . 50438 26 19 . 1 . 1 12 12 GLY H H 1 8.3700 0.0000 . 1 . . . . . 8 GLY H . 50438 26 20 . 1 . 1 12 12 GLY N N 15 109.3970 0.0000 . 1 . . . . . 8 GLY N . 50438 26 21 . 1 . 1 125 125 GLU H H 1 8.5920 0.0000 . 1 . . . . . 121 GLU H . 50438 26 22 . 1 . 1 125 125 GLU N N 15 124.2760 0.0000 . 1 . . . . . 121 GLU N . 50438 26 23 . 1 . 1 127 127 HIS H H 1 8.7650 0.0000 . 1 . . . . . 123 HIS H . 50438 26 24 . 1 . 1 127 127 HIS N N 15 121.1260 0.0000 . 1 . . . . . 123 HIS N . 50438 26 25 . 1 . 1 129 129 LYS H H 1 8.6350 0.0000 . 1 . . . . . 125 LYS H . 50438 26 26 . 1 . 1 129 129 LYS N N 15 124.5330 0.0000 . 1 . . . . . 125 LYS N . 50438 26 27 . 1 . 1 130 130 ALA H H 1 8.5720 0.0000 . 1 . . . . . 126 ALA H . 50438 26 28 . 1 . 1 130 130 ALA N N 15 126.8400 0.0000 . 1 . . . . . 126 ALA N . 50438 26 29 . 1 . 1 131 131 LYS H H 1 8.5480 0.0000 . 1 . . . . . 127 LYS H . 50438 26 30 . 1 . 1 131 131 LYS N N 15 122.0360 0.0000 . 1 . . . . . 127 LYS N . 50438 26 31 . 1 . 1 132 132 GLY H H 1 8.5430 0.0000 . 1 . . . . . 128 GLY H . 50438 26 32 . 1 . 1 132 132 GLY N N 15 111.3490 0.0000 . 1 . . . . . 128 GLY N . 50438 26 33 . 1 . 1 133 133 LYS H H 1 7.9180 0.0000 . 1 . . . . . 129 LYS H . 50438 26 34 . 1 . 1 133 133 LYS N N 15 126.3530 0.0000 . 1 . . . . . 129 LYS N . 50438 26 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_27 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_27 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 27 _Assigned_chem_shift_list.Name H2A_2_283K _Assigned_chem_shift_list.Sample_condition_list_ID 6 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_6 _Assigned_chem_shift_list.Chem_shift_reference_ID 3 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_3 _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 12 '2D 1H-15N' . . . 50438 27 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 . . 50438 27 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 6 6 GLY H H 1 8.5820 0.0000 . 1 . . . . . 2 GLY H . 50438 27 2 . 1 . 1 6 6 GLY N N 15 111.3480 0.0000 . 1 . . . . . 2 GLY N . 50438 27 3 . 1 . 1 7 7 ARG H H 1 8.2250 0.0000 . 1 . . . . . 3 ARG H . 50438 27 4 . 1 . 1 7 7 ARG N N 15 120.7690 0.0000 . 1 . . . . . 3 ARG N . 50438 27 5 . 1 . 1 8 8 GLY H H 1 8.6130 0.0000 . 1 . . . . . 4 GLY H . 50438 27 6 . 1 . 1 8 8 GLY N N 15 110.6710 0.0000 . 1 . . . . . 4 GLY N . 50438 27 7 . 1 . 1 9 9 LYS H H 1 8.3100 0.0000 . 1 . . . . . 5 LYS H . 50438 27 8 . 1 . 1 9 9 LYS N N 15 121.4350 0.0000 . 1 . . . . . 5 LYS N . 50438 27 9 . 1 . 1 10 10 GLN H H 1 8.6290 0.0000 . 1 . . . . . 6 GLN H . 50438 27 10 . 1 . 1 10 10 GLN N N 15 122.2760 0.0000 . 1 . . . . . 6 GLN N . 50438 27 11 . 1 . 1 11 11 GLY H H 1 8.5420 0.0000 . 1 . . . . . 7 GLY H . 50438 27 12 . 1 . 1 11 11 GLY N N 15 110.7230 0.0000 . 1 . . . . . 7 GLY N . 50438 27 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_28 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_28 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 28 _Assigned_chem_shift_list.Name H2B_1_283K _Assigned_chem_shift_list.Sample_condition_list_ID 6 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_6 _Assigned_chem_shift_list.Chem_shift_reference_ID 3 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_3 _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 12 '2D 1H-15N' . . . 50438 28 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 . . 50438 28 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 . 2 . 2 3 3 GLY H H 1 8.6660 0.0000 . 1 . . . . . -1 GLY H . 50438 28 2 . 2 . 2 3 3 GLY N N 15 110.6070 0.0000 . 1 . . . . . -1 GLY N . 50438 28 3 . 2 . 2 4 4 MET H H 1 8.1860 0.0000 . 1 . . . . . 0 MET H . 50438 28 4 . 2 . 2 4 4 MET N N 15 121.5860 0.0000 . 1 . . . . . 0 MET N . 50438 28 5 . 2 . 2 6 6 GLU H H 1 8.5390 0.0000 . 1 . . . . . 2 GLU H . 50438 28 6 . 2 . 2 6 6 GLU N N 15 123.2080 0.0000 . 1 . . . . . 2 GLU N . 50438 28 7 . 2 . 2 8 8 ALA H H 1 8.4640 0.0000 . 1 . . . . . 4 ALA H . 50438 28 8 . 2 . 2 8 8 ALA N N 15 124.7770 0.0000 . 1 . . . . . 4 ALA N . 50438 28 9 . 2 . 2 9 9 LYS H H 1 8.3870 0.0000 . 1 . . . . . 5 LYS H . 50438 28 10 . 2 . 2 9 9 LYS N N 15 121.5540 0.0000 . 1 . . . . . 5 LYS N . 50438 28 11 . 2 . 2 10 10 SER H H 1 8.3700 0.0000 . 1 . . . . . 6 SER H . 50438 28 12 . 2 . 2 10 10 SER N N 15 118.0990 0.0000 . 1 . . . . . 6 SER N . 50438 28 13 . 2 . 2 11 11 ALA H H 1 8.3940 0.0000 . 1 . . . . . 7 ALA H . 50438 28 14 . 2 . 2 11 11 ALA N N 15 127.6110 0.0000 . 1 . . . . . 7 ALA N . 50438 28 15 . 2 . 2 13 13 ALA H H 1 8.4980 0.0000 . 1 . . . . . 9 ALA H . 50438 28 16 . 2 . 2 13 13 ALA N N 15 126.4040 0.0000 . 1 . . . . . 9 ALA N . 50438 28 17 . 2 . 2 15 15 LYS H H 1 8.5200 0.0000 . 1 . . . . . 11 LYS H . 50438 28 18 . 2 . 2 15 15 LYS N N 15 122.8490 0.0000 . 1 . . . . . 11 LYS N . 50438 28 19 . 2 . 2 16 16 LYS H H 1 8.5660 0.0000 . 1 . . . . . 12 LYS H . 50438 28 20 . 2 . 2 16 16 LYS N N 15 124.0620 0.0000 . 1 . . . . . 12 LYS N . 50438 28 21 . 2 . 2 17 17 GLY H H 1 8.6050 0.0000 . 1 . . . . . 13 GLY H . 50438 28 22 . 2 . 2 17 17 GLY N N 15 111.3600 0.0000 . 1 . . . . . 13 GLY N . 50438 28 23 . 2 . 2 18 18 SER H H 1 8.2700 0.0000 . 1 . . . . . 14 SER H . 50438 28 24 . 2 . 2 18 18 SER N N 15 116.3130 0.0000 . 1 . . . . . 14 SER N . 50438 28 25 . 2 . 2 19 19 LYS H H 1 8.5810 0.0000 . 1 . . . . . 15 LYS H . 50438 28 26 . 2 . 2 19 19 LYS N N 15 124.1660 0.0000 . 1 . . . . . 15 LYS N . 50438 28 27 . 2 . 2 20 20 LYS H H 1 8.4090 0.0000 . 1 . . . . . 16 LYS H . 50438 28 28 . 2 . 2 20 20 LYS N N 15 123.3610 0.0000 . 1 . . . . . 16 LYS N . 50438 28 29 . 2 . 2 21 21 ALA H H 1 8.4100 0.0000 . 1 . . . . . 17 ALA H . 50438 28 30 . 2 . 2 21 21 ALA N N 15 126.2370 0.0000 . 1 . . . . . 17 ALA N . 50438 28 31 . 2 . 2 22 22 VAL H H 1 8.2700 0.0000 . 1 . . . . . 18 VAL H . 50438 28 32 . 2 . 2 22 22 VAL N N 15 120.7590 0.0000 . 1 . . . . . 18 VAL N . 50438 28 33 . 2 . 2 23 23 THR H H 1 8.3330 0.0000 . 1 . . . . . 19 THR H . 50438 28 34 . 2 . 2 23 23 THR N N 15 119.5600 0.0000 . 1 . . . . . 19 THR N . 50438 28 35 . 2 . 2 24 24 LYS H H 1 8.4800 0.0000 . 1 . . . . . 20 LYS H . 50438 28 36 . 2 . 2 24 24 LYS N N 15 124.9290 0.0000 . 1 . . . . . 20 LYS N . 50438 28 37 . 2 . 2 25 25 ALA H H 1 8.4000 0.0000 . 1 . . . . . 21 ALA H . 50438 28 38 . 2 . 2 25 25 ALA N N 15 125.5550 0.0000 . 1 . . . . . 21 ALA N . 50438 28 39 . 2 . 2 26 26 GLN H H 1 8.4040 0.0000 . 1 . . . . . 22 GLN H . 50438 28 40 . 2 . 2 26 26 GLN N N 15 120.5350 0.0000 . 1 . . . . . 22 GLN N . 50438 28 41 . 2 . 2 27 27 LYS H H 1 8.4450 0.0000 . 1 . . . . . 23 LYS H . 50438 28 42 . 2 . 2 27 27 LYS N N 15 123.8440 0.0000 . 1 . . . . . 23 LYS N . 50438 28 43 . 2 . 2 28 28 LYS H H 1 8.5730 0.0000 . 1 . . . . . 24 LYS H . 50438 28 44 . 2 . 2 28 28 LYS N N 15 123.7620 0.0000 . 1 . . . . . 24 LYS N . 50438 28 45 . 2 . 2 29 29 ASP H H 1 8.4030 0.0000 . 1 . . . . . 25 ASP H . 50438 28 46 . 2 . 2 29 29 ASP N N 15 121.7110 0.0000 . 1 . . . . . 25 ASP N . 50438 28 47 . 2 . 2 30 30 GLY H H 1 8.3310 0.0000 . 1 . . . . . 26 GLY H . 50438 28 48 . 2 . 2 30 30 GLY N N 15 109.4610 0.0000 . 1 . . . . . 26 GLY N . 50438 28 49 . 2 . 2 31 31 LYS H H 1 8.1460 0.0000 . 1 . . . . . 27 LYS H . 50438 28 50 . 2 . 2 31 31 LYS N N 15 121.6260 0.0000 . 1 . . . . . 27 LYS N . 50438 28 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_29 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_29 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 29 _Assigned_chem_shift_list.Name H2B_2_283K _Assigned_chem_shift_list.Sample_condition_list_ID 6 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_6 _Assigned_chem_shift_list.Chem_shift_reference_ID 3 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_3 _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 12 '2D 1H-15N' . . . 50438 29 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 . . 50438 29 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 . 2 . 2 10 10 SER H H 1 8.3920 0.0000 . 1 . . . . . 6 SER H . 50438 29 2 . 2 . 2 10 10 SER N N 15 118.2330 0.0000 . 1 . . . . . 6 SER N . 50438 29 3 . 2 . 2 21 21 ALA H H 1 8.4350 0.0000 . 1 . . . . . 17 ALA H . 50438 29 4 . 2 . 2 21 21 ALA N N 15 126.3790 0.0000 . 1 . . . . . 17 ALA N . 50438 29 5 . 2 . 2 22 22 VAL H H 1 8.2870 0.0000 . 1 . . . . . 18 VAL H . 50438 29 6 . 2 . 2 22 22 VAL N N 15 120.8720 0.0000 . 1 . . . . . 18 VAL N . 50438 29 7 . 2 . 2 23 23 THR H H 1 8.3450 0.0000 . 1 . . . . . 19 THR H . 50438 29 8 . 2 . 2 23 23 THR N N 15 119.8280 0.0000 . 1 . . . . . 19 THR N . 50438 29 9 . 2 . 2 24 24 LYS H H 1 8.5070 0.0000 . 1 . . . . . 20 LYS H . 50438 29 10 . 2 . 2 24 24 LYS N N 15 125.1710 0.0000 . 1 . . . . . 20 LYS N . 50438 29 11 . 2 . 2 25 25 ALA H H 1 8.4310 0.0000 . 1 . . . . . 21 ALA H . 50438 29 12 . 2 . 2 25 25 ALA N N 15 125.7570 0.0000 . 1 . . . . . 21 ALA N . 50438 29 13 . 2 . 2 26 26 GLN H H 1 8.4210 0.0000 . 1 . . . . . 22 GLN H . 50438 29 14 . 2 . 2 26 26 GLN N N 15 120.5900 0.0000 . 1 . . . . . 22 GLN N . 50438 29 15 . 2 . 2 27 27 LYS H H 1 8.4810 0.0000 . 1 . . . . . 23 LYS H . 50438 29 16 . 2 . 2 27 27 LYS N N 15 124.0200 0.0000 . 1 . . . . . 23 LYS N . 50438 29 17 . 2 . 2 28 28 LYS H H 1 8.6190 0.0000 . 1 . . . . . 24 LYS H . 50438 29 18 . 2 . 2 28 28 LYS N N 15 123.9400 0.0000 . 1 . . . . . 24 LYS N . 50438 29 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_30 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_30 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 30 _Assigned_chem_shift_list.Name H2A_1_288K _Assigned_chem_shift_list.Sample_condition_list_ID 7 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_7 _Assigned_chem_shift_list.Chem_shift_reference_ID 4 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_4 _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 13 '2D 1H-15N' . . . 50438 30 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 . . 50438 30 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 3 3 GLY H H 1 8.6540 0.0000 . 1 . . . . . -1 GLY H . 50438 30 2 . 1 . 1 3 3 GLY N N 15 110.2400 0.0000 . 1 . . . . . -1 GLY N . 50438 30 3 . 1 . 1 4 4 MET H H 1 8.3360 0.0000 . 1 . . . . . 0 MET H . 50438 30 4 . 1 . 1 4 4 MET N N 15 120.4900 0.0000 . 1 . . . . . 0 MET N . 50438 30 5 . 1 . 1 5 5 SER H H 1 8.4280 0.0000 . 1 . . . . . 1 SER H . 50438 30 6 . 1 . 1 5 5 SER N N 15 117.4860 0.0000 . 1 . . . . . 1 SER N . 50438 30 7 . 1 . 1 6 6 GLY H H 1 8.5120 0.0000 . 1 . . . . . 2 GLY H . 50438 30 8 . 1 . 1 6 6 GLY N N 15 111.3090 0.0000 . 1 . . . . . 2 GLY N . 50438 30 9 . 1 . 1 7 7 ARG H H 1 8.1770 0.0000 . 1 . . . . . 3 ARG H . 50438 30 10 . 1 . 1 7 7 ARG N N 15 120.6950 0.0000 . 1 . . . . . 3 ARG N . 50438 30 11 . 1 . 1 8 8 GLY H H 1 8.5170 0.0000 . 1 . . . . . 4 GLY H . 50438 30 12 . 1 . 1 8 8 GLY N N 15 110.2450 0.0000 . 1 . . . . . 4 GLY N . 50438 30 13 . 1 . 1 9 9 LYS H H 1 8.2330 0.0000 . 1 . . . . . 5 LYS H . 50438 30 14 . 1 . 1 9 9 LYS N N 15 121.4530 0.0000 . 1 . . . . . 5 LYS N . 50438 30 15 . 1 . 1 10 10 GLN H H 1 8.5760 0.0000 . 1 . . . . . 6 GLN H . 50438 30 16 . 1 . 1 10 10 GLN N N 15 121.9970 0.0000 . 1 . . . . . 6 GLN N . 50438 30 17 . 1 . 1 11 11 GLY H H 1 8.4600 0.0000 . 1 . . . . . 7 GLY H . 50438 30 18 . 1 . 1 11 11 GLY N N 15 110.5400 0.0000 . 1 . . . . . 7 GLY N . 50438 30 19 . 1 . 1 12 12 GLY H H 1 8.3410 0.0000 . 1 . . . . . 8 GLY H . 50438 30 20 . 1 . 1 12 12 GLY N N 15 109.3630 0.0000 . 1 . . . . . 8 GLY N . 50438 30 21 . 1 . 1 125 125 GLU H H 1 8.5630 0.0000 . 1 . . . . . 121 GLU H . 50438 30 22 . 1 . 1 125 125 GLU N N 15 124.2860 0.0000 . 1 . . . . . 121 GLU N . 50438 30 23 . 1 . 1 126 126 SER H H 1 8.4670 0.0000 . 1 . . . . . 122 SER H . 50438 30 24 . 1 . 1 126 126 SER N N 15 118.1300 0.0000 . 1 . . . . . 122 SER N . 50438 30 25 . 1 . 1 127 127 HIS H H 1 8.7200 0.0000 . 1 . . . . . 123 HIS H . 50438 30 26 . 1 . 1 127 127 HIS N N 15 121.0430 0.0000 . 1 . . . . . 123 HIS N . 50438 30 27 . 1 . 1 128 128 HIS H H 1 8.6190 0.0000 . 1 . . . . . 124 HIS H . 50438 30 28 . 1 . 1 128 128 HIS N N 15 120.5170 0.0000 . 1 . . . . . 124 HIS N . 50438 30 29 . 1 . 1 129 129 LYS H H 1 8.5930 0.0000 . 1 . . . . . 125 LYS H . 50438 30 30 . 1 . 1 129 129 LYS N N 15 124.3750 0.0000 . 1 . . . . . 125 LYS N . 50438 30 31 . 1 . 1 130 130 ALA H H 1 8.5280 0.0000 . 1 . . . . . 126 ALA H . 50438 30 32 . 1 . 1 130 130 ALA N N 15 126.7120 0.0000 . 1 . . . . . 126 ALA N . 50438 30 33 . 1 . 1 131 131 LYS H H 1 8.5050 0.0000 . 1 . . . . . 127 LYS H . 50438 30 34 . 1 . 1 131 131 LYS N N 15 121.8870 0.0000 . 1 . . . . . 127 LYS N . 50438 30 35 . 1 . 1 132 132 GLY H H 1 8.5090 0.0000 . 1 . . . . . 128 GLY H . 50438 30 36 . 1 . 1 132 132 GLY N N 15 111.2780 0.0000 . 1 . . . . . 128 GLY N . 50438 30 37 . 1 . 1 133 133 LYS H H 1 7.8770 0.0000 . 1 . . . . . 129 LYS H . 50438 30 38 . 1 . 1 133 133 LYS N N 15 126.3000 0.0000 . 1 . . . . . 129 LYS N . 50438 30 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_31 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_31 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 31 _Assigned_chem_shift_list.Name H2A_2_288K _Assigned_chem_shift_list.Sample_condition_list_ID 7 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_7 _Assigned_chem_shift_list.Chem_shift_reference_ID 4 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_4 _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 13 '2D 1H-15N' . . . 50438 31 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 . . 50438 31 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 6 6 GLY H H 1 8.5460 0.0000 . 1 . . . . . 2 GLY H . 50438 31 2 . 1 . 1 6 6 GLY N N 15 111.3000 0.0000 . 1 . . . . . 2 GLY N . 50438 31 3 . 1 . 1 7 7 ARG H H 1 8.2020 0.0000 . 1 . . . . . 3 ARG H . 50438 31 4 . 1 . 1 7 7 ARG N N 15 120.7400 0.0000 . 1 . . . . . 3 ARG N . 50438 31 5 . 1 . 1 8 8 GLY H H 1 8.5740 0.0000 . 1 . . . . . 4 GLY H . 50438 31 6 . 1 . 1 8 8 GLY N N 15 110.5360 0.0000 . 1 . . . . . 4 GLY N . 50438 31 7 . 1 . 1 9 9 LYS H H 1 8.2750 0.0000 . 1 . . . . . 5 LYS H . 50438 31 8 . 1 . 1 9 9 LYS N N 15 121.3940 0.0000 . 1 . . . . . 5 LYS N . 50438 31 9 . 1 . 1 10 10 GLN H H 1 8.5900 0.0000 . 1 . . . . . 6 GLN H . 50438 31 10 . 1 . 1 10 10 GLN N N 15 122.2600 0.0000 . 1 . . . . . 6 GLN N . 50438 31 11 . 1 . 1 11 11 GLY H H 1 8.5040 0.0000 . 1 . . . . . 7 GLY H . 50438 31 12 . 1 . 1 11 11 GLY N N 15 110.6290 0.0000 . 1 . . . . . 7 GLY N . 50438 31 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_32 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_32 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 32 _Assigned_chem_shift_list.Name H2B_1_288K _Assigned_chem_shift_list.Sample_condition_list_ID 7 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_7 _Assigned_chem_shift_list.Chem_shift_reference_ID 4 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_4 _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 13 '2D 1H-15N' . . . 50438 32 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 . . 50438 32 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 . 2 . 2 3 3 GLY H H 1 8.6250 0.0000 . 1 . . . . . -1 GLY H . 50438 32 2 . 2 . 2 3 3 GLY N N 15 110.5280 0.0000 . 1 . . . . . -1 GLY N . 50438 32 3 . 2 . 2 4 4 MET H H 1 8.1480 0.0000 . 1 . . . . . 0 MET H . 50438 32 4 . 2 . 2 4 4 MET N N 15 121.5090 0.0000 . 1 . . . . . 0 MET N . 50438 32 5 . 2 . 2 6 6 GLU H H 1 8.4910 0.0000 . 1 . . . . . 2 GLU H . 50438 32 6 . 2 . 2 6 6 GLU N N 15 123.1170 0.0000 . 1 . . . . . 2 GLU N . 50438 32 7 . 2 . 2 8 8 ALA H H 1 8.4200 0.0000 . 1 . . . . . 4 ALA H . 50438 32 8 . 2 . 2 8 8 ALA N N 15 124.6560 0.0000 . 1 . . . . . 4 ALA N . 50438 32 9 . 2 . 2 9 9 LYS H H 1 8.3380 0.0000 . 1 . . . . . 5 LYS H . 50438 32 10 . 2 . 2 9 9 LYS N N 15 121.4020 0.0000 . 1 . . . . . 5 LYS N . 50438 32 11 . 2 . 2 10 10 SER H H 1 8.3220 0.0000 . 1 . . . . . 6 SER H . 50438 32 12 . 2 . 2 10 10 SER N N 15 117.9540 0.0000 . 1 . . . . . 6 SER N . 50438 32 13 . 2 . 2 11 11 ALA H H 1 8.3450 0.0000 . 1 . . . . . 7 ALA H . 50438 32 14 . 2 . 2 11 11 ALA N N 15 127.5440 0.0000 . 1 . . . . . 7 ALA N . 50438 32 15 . 2 . 2 13 13 ALA H H 1 8.4500 0.0000 . 1 . . . . . 9 ALA H . 50438 32 16 . 2 . 2 13 13 ALA N N 15 126.2990 0.0000 . 1 . . . . . 9 ALA N . 50438 32 17 . 2 . 2 15 15 LYS H H 1 8.4770 0.0000 . 1 . . . . . 11 LYS H . 50438 32 18 . 2 . 2 15 15 LYS N N 15 122.7240 0.0000 . 1 . . . . . 11 LYS N . 50438 32 19 . 2 . 2 16 16 LYS H H 1 8.5200 0.0000 . 1 . . . . . 12 LYS H . 50438 32 20 . 2 . 2 16 16 LYS N N 15 123.9010 0.0000 . 1 . . . . . 12 LYS N . 50438 32 21 . 2 . 2 17 17 GLY H H 1 8.5660 0.0000 . 1 . . . . . 13 GLY H . 50438 32 22 . 2 . 2 17 17 GLY N N 15 111.2190 0.0000 . 1 . . . . . 13 GLY N . 50438 32 23 . 2 . 2 18 18 SER H H 1 8.2380 0.0000 . 1 . . . . . 14 SER H . 50438 32 24 . 2 . 2 18 18 SER N N 15 116.2360 0.0000 . 1 . . . . . 14 SER N . 50438 32 25 . 2 . 2 19 19 LYS H H 1 8.5490 0.0000 . 1 . . . . . 15 LYS H . 50438 32 26 . 2 . 2 19 19 LYS N N 15 124.1250 0.0000 . 1 . . . . . 15 LYS N . 50438 32 27 . 2 . 2 20 20 LYS H H 1 8.3750 0.0000 . 1 . . . . . 16 LYS H . 50438 32 28 . 2 . 2 20 20 LYS N N 15 123.2100 0.0000 . 1 . . . . . 16 LYS N . 50438 32 29 . 2 . 2 21 21 ALA H H 1 8.3750 0.0000 . 1 . . . . . 17 ALA H . 50438 32 30 . 2 . 2 21 21 ALA N N 15 126.1050 0.0000 . 1 . . . . . 17 ALA N . 50438 32 31 . 2 . 2 22 22 VAL H H 1 8.2220 0.0000 . 1 . . . . . 18 VAL H . 50438 32 32 . 2 . 2 22 22 VAL N N 15 120.5900 0.0000 . 1 . . . . . 18 VAL N . 50438 32 33 . 2 . 2 23 23 THR H H 1 8.2890 0.0000 . 1 . . . . . 19 THR H . 50438 32 34 . 2 . 2 23 23 THR N N 15 119.2910 0.0000 . 1 . . . . . 19 THR N . 50438 32 35 . 2 . 2 24 24 LYS H H 1 8.4380 0.0000 . 1 . . . . . 20 LYS H . 50438 32 36 . 2 . 2 24 24 LYS N N 15 124.8240 0.0000 . 1 . . . . . 20 LYS N . 50438 32 37 . 2 . 2 25 25 ALA H H 1 8.3490 0.0000 . 1 . . . . . 21 ALA H . 50438 32 38 . 2 . 2 25 25 ALA N N 15 125.4140 0.0000 . 1 . . . . . 21 ALA N . 50438 32 39 . 2 . 2 26 26 GLN H H 1 8.3680 0.0000 . 1 . . . . . 22 GLN H . 50438 32 40 . 2 . 2 26 26 GLN N N 15 120.3800 0.0000 . 1 . . . . . 22 GLN N . 50438 32 41 . 2 . 2 27 27 LYS H H 1 8.4140 0.0000 . 1 . . . . . 23 LYS H . 50438 32 42 . 2 . 2 27 27 LYS N N 15 123.7180 0.0000 . 1 . . . . . 23 LYS N . 50438 32 43 . 2 . 2 28 28 LYS H H 1 8.5320 0.0000 . 1 . . . . . 24 LYS H . 50438 32 44 . 2 . 2 28 28 LYS N N 15 123.6610 0.0000 . 1 . . . . . 24 LYS N . 50438 32 45 . 2 . 2 29 29 ASP H H 1 8.3530 0.0000 . 1 . . . . . 25 ASP H . 50438 32 46 . 2 . 2 29 29 ASP N N 15 121.5530 0.0000 . 1 . . . . . 25 ASP N . 50438 32 47 . 2 . 2 30 30 GLY H H 1 8.2970 0.0000 . 1 . . . . . 26 GLY H . 50438 32 48 . 2 . 2 30 30 GLY N N 15 109.4290 0.0000 . 1 . . . . . 26 GLY N . 50438 32 49 . 2 . 2 31 31 LYS H H 1 8.1040 0.0000 . 1 . . . . . 27 LYS H . 50438 32 50 . 2 . 2 31 31 LYS N N 15 121.4850 0.0000 . 1 . . . . . 27 LYS N . 50438 32 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_33 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_33 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 33 _Assigned_chem_shift_list.Name H2B_2_288K _Assigned_chem_shift_list.Sample_condition_list_ID 7 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_7 _Assigned_chem_shift_list.Chem_shift_reference_ID 4 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_4 _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 13 '2D 1H-15N' . . . 50438 33 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 . . 50438 33 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 . 2 . 2 10 10 SER H H 1 8.3480 0.0000 . 1 . . . . . 6 SER H . 50438 33 2 . 2 . 2 10 10 SER N N 15 118.1030 0.0000 . 1 . . . . . 6 SER N . 50438 33 3 . 2 . 2 21 21 ALA H H 1 8.3930 0.0000 . 1 . . . . . 17 ALA H . 50438 33 4 . 2 . 2 21 21 ALA N N 15 126.2290 0.0000 . 1 . . . . . 17 ALA N . 50438 33 5 . 2 . 2 22 22 VAL H H 1 8.2420 0.0000 . 1 . . . . . 18 VAL H . 50438 33 6 . 2 . 2 22 22 VAL N N 15 120.6900 0.0000 . 1 . . . . . 18 VAL N . 50438 33 7 . 2 . 2 23 23 THR H H 1 8.3090 0.0000 . 1 . . . . . 19 THR H . 50438 33 8 . 2 . 2 23 23 THR N N 15 119.5380 0.0000 . 1 . . . . . 19 THR N . 50438 33 9 . 2 . 2 24 24 LYS H H 1 8.4650 0.0000 . 1 . . . . . 20 LYS H . 50438 33 10 . 2 . 2 24 24 LYS N N 15 125.0240 0.0000 . 1 . . . . . 20 LYS N . 50438 33 11 . 2 . 2 25 25 ALA H H 1 8.3880 0.0000 . 1 . . . . . 21 ALA H . 50438 33 12 . 2 . 2 25 25 ALA N N 15 125.6710 0.0000 . 1 . . . . . 21 ALA N . 50438 33 13 . 2 . 2 26 26 GLN H H 1 8.3810 0.0000 . 1 . . . . . 22 GLN H . 50438 33 14 . 2 . 2 26 26 GLN N N 15 120.5090 0.0000 . 1 . . . . . 22 GLN N . 50438 33 15 . 2 . 2 27 27 LYS H H 1 8.4430 0.0000 . 1 . . . . . 23 LYS H . 50438 33 16 . 2 . 2 27 27 LYS N N 15 123.9030 0.0000 . 1 . . . . . 23 LYS N . 50438 33 17 . 2 . 2 28 28 LYS H H 1 8.5690 0.0000 . 1 . . . . . 24 LYS H . 50438 33 18 . 2 . 2 28 28 LYS N N 15 123.8260 0.0000 . 1 . . . . . 24 LYS N . 50438 33 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_34 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_34 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 34 _Assigned_chem_shift_list.Name H2A_1_293K _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 5 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_5 _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 14 '2D 1H-15N' . . . 50438 34 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 . . 50438 34 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 3 3 GLY H H 1 8.6210 0.0000 . 1 . . . . . -1 GLY H . 50438 34 2 . 1 . 1 3 3 GLY N N 15 110.1890 0.0000 . 1 . . . . . -1 GLY N . 50438 34 3 . 1 . 1 4 4 MET H H 1 8.3010 0.0000 . 1 . . . . . 0 MET H . 50438 34 4 . 1 . 1 4 4 MET N N 15 120.4680 0.0000 . 1 . . . . . 0 MET N . 50438 34 5 . 1 . 1 5 5 SER H H 1 8.3940 0.0000 . 1 . . . . . 1 SER H . 50438 34 6 . 1 . 1 5 5 SER N N 15 117.3900 0.0000 . 1 . . . . . 1 SER N . 50438 34 7 . 1 . 1 6 6 GLY H H 1 8.4740 0.0000 . 1 . . . . . 2 GLY H . 50438 34 8 . 1 . 1 6 6 GLY N N 15 111.2360 0.0000 . 1 . . . . . 2 GLY N . 50438 34 9 . 1 . 1 7 7 ARG H H 1 8.1530 0.0000 . 1 . . . . . 3 ARG H . 50438 34 10 . 1 . 1 7 7 ARG N N 15 120.6640 0.0000 . 1 . . . . . 3 ARG N . 50438 34 11 . 1 . 1 8 8 GLY H H 1 8.4880 0.0000 . 1 . . . . . 4 GLY H . 50438 34 12 . 1 . 1 8 8 GLY N N 15 110.1840 0.0000 . 1 . . . . . 4 GLY N . 50438 34 13 . 1 . 1 9 9 LYS H H 1 8.2040 0.0000 . 1 . . . . . 5 LYS H . 50438 34 14 . 1 . 1 9 9 LYS N N 15 121.4090 0.0000 . 1 . . . . . 5 LYS N . 50438 34 15 . 1 . 1 10 10 GLN H H 1 8.5360 0.0000 . 1 . . . . . 6 GLN H . 50438 34 16 . 1 . 1 10 10 GLN N N 15 121.9210 0.0000 . 1 . . . . . 6 GLN N . 50438 34 17 . 1 . 1 11 11 GLY H H 1 8.4270 0.0000 . 1 . . . . . 7 GLY H . 50438 34 18 . 1 . 1 11 11 GLY N N 15 110.4840 0.0000 . 1 . . . . . 7 GLY N . 50438 34 19 . 1 . 1 12 12 GLY H H 1 8.3120 0.0000 . 1 . . . . . 8 GLY H . 50438 34 20 . 1 . 1 12 12 GLY N N 15 109.3200 0.0000 . 1 . . . . . 8 GLY N . 50438 34 21 . 1 . 1 124 124 THR H H 1 8.2700 0.0000 . 1 . . . . . 120 THR H . 50438 34 22 . 1 . 1 124 124 THR N N 15 117.3100 0.0000 . 1 . . . . . 120 THR N . 50438 34 23 . 1 . 1 125 125 GLU H H 1 8.5250 0.0000 . 1 . . . . . 121 GLU H . 50438 34 24 . 1 . 1 125 125 GLU N N 15 124.2480 0.0000 . 1 . . . . . 121 GLU N . 50438 34 25 . 1 . 1 126 126 SER H H 1 8.4210 0.0000 . 1 . . . . . 122 SER H . 50438 34 26 . 1 . 1 126 126 SER N N 15 118.0230 0.0000 . 1 . . . . . 122 SER N . 50438 34 27 . 1 . 1 127 127 HIS H H 1 8.6830 0.0000 . 1 . . . . . 123 HIS H . 50438 34 28 . 1 . 1 127 127 HIS N N 15 120.9700 0.0000 . 1 . . . . . 123 HIS N . 50438 34 29 . 1 . 1 128 128 HIS H H 1 8.5840 0.0000 . 1 . . . . . 124 HIS H . 50438 34 30 . 1 . 1 128 128 HIS N N 15 120.3800 0.0000 . 1 . . . . . 124 HIS N . 50438 34 31 . 1 . 1 129 129 LYS H H 1 8.5570 0.0000 . 1 . . . . . 125 LYS H . 50438 34 32 . 1 . 1 129 129 LYS N N 15 124.3000 0.0000 . 1 . . . . . 125 LYS N . 50438 34 33 . 1 . 1 130 130 ALA H H 1 8.4890 0.0000 . 1 . . . . . 126 ALA H . 50438 34 34 . 1 . 1 130 130 ALA N N 15 126.6180 0.0000 . 1 . . . . . 126 ALA N . 50438 34 35 . 1 . 1 131 131 LYS H H 1 8.4600 0.0000 . 1 . . . . . 127 LYS H . 50438 34 36 . 1 . 1 131 131 LYS N N 15 121.7760 0.0000 . 1 . . . . . 127 LYS N . 50438 34 37 . 1 . 1 132 132 GLY H H 1 8.4720 0.0000 . 1 . . . . . 128 GLY H . 50438 34 38 . 1 . 1 132 132 GLY N N 15 111.2050 0.0000 . 1 . . . . . 128 GLY N . 50438 34 39 . 1 . 1 133 133 LYS H H 1 7.8420 0.0000 . 1 . . . . . 129 LYS H . 50438 34 40 . 1 . 1 133 133 LYS N N 15 126.2530 0.0000 . 1 . . . . . 129 LYS N . 50438 34 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_35 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_35 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 35 _Assigned_chem_shift_list.Name H2A_2_293K _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 5 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_5 _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 14 '2D 1H-15N' . . . 50438 35 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 . . 50438 35 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 6 6 GLY H H 1 8.5110 0.0000 . 1 . . . . . 2 GLY H . 50438 35 2 . 1 . 1 6 6 GLY N N 15 111.2510 0.0000 . 1 . . . . . 2 GLY N . 50438 35 3 . 1 . 1 7 7 ARG H H 1 8.1770 0.0000 . 1 . . . . . 3 ARG H . 50438 35 4 . 1 . 1 7 7 ARG N N 15 120.7180 0.0000 . 1 . . . . . 3 ARG N . 50438 35 5 . 1 . 1 8 8 GLY H H 1 8.5350 0.0000 . 1 . . . . . 4 GLY H . 50438 35 6 . 1 . 1 8 8 GLY N N 15 110.4640 0.0000 . 1 . . . . . 4 GLY N . 50438 35 7 . 1 . 1 9 9 LYS H H 1 8.2470 0.0000 . 1 . . . . . 5 LYS H . 50438 35 8 . 1 . 1 9 9 LYS N N 15 121.3510 0.0000 . 1 . . . . . 5 LYS N . 50438 35 9 . 1 . 1 10 10 GLN H H 1 8.5450 0.0000 . 1 . . . . . 6 GLN H . 50438 35 10 . 1 . 1 10 10 GLN N N 15 122.0370 0.0000 . 1 . . . . . 6 GLN N . 50438 35 11 . 1 . 1 11 11 GLY H H 1 8.4670 0.0000 . 1 . . . . . 7 GLY H . 50438 35 12 . 1 . 1 11 11 GLY N N 15 110.5710 0.0000 . 1 . . . . . 7 GLY N . 50438 35 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_36 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_36 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 36 _Assigned_chem_shift_list.Name H2B_1_293K _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 5 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_5 _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 14 '2D 1H-15N' . . . 50438 36 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 . . 50438 36 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 . 2 . 2 3 3 GLY H H 1 8.5900 0.0000 . 1 . . . . . -1 GLY H . 50438 36 2 . 2 . 2 3 3 GLY N N 15 110.4500 0.0000 . 1 . . . . . -1 GLY N . 50438 36 3 . 2 . 2 4 4 MET H H 1 8.1140 0.0000 . 1 . . . . . 0 MET H . 50438 36 4 . 2 . 2 4 4 MET N N 15 121.4470 0.0000 . 1 . . . . . 0 MET N . 50438 36 5 . 2 . 2 6 6 GLU H H 1 8.4430 0.0000 . 1 . . . . . 2 GLU H . 50438 36 6 . 2 . 2 6 6 GLU N N 15 122.9730 0.0000 . 1 . . . . . 2 GLU N . 50438 36 7 . 2 . 2 8 8 ALA H H 1 8.3770 0.0000 . 1 . . . . . 4 ALA H . 50438 36 8 . 2 . 2 8 8 ALA N N 15 124.5140 0.0000 . 1 . . . . . 4 ALA N . 50438 36 9 . 2 . 2 9 9 LYS H H 1 8.2930 0.0000 . 1 . . . . . 5 LYS H . 50438 36 10 . 2 . 2 9 9 LYS N N 15 121.2620 0.0000 . 1 . . . . . 5 LYS N . 50438 36 11 . 2 . 2 10 10 SER H H 1 8.2790 0.0000 . 1 . . . . . 6 SER H . 50438 36 12 . 2 . 2 10 10 SER N N 15 117.7890 0.0000 . 1 . . . . . 6 SER N . 50438 36 13 . 2 . 2 11 11 ALA H H 1 8.3000 0.0000 . 1 . . . . . 7 ALA H . 50438 36 14 . 2 . 2 11 11 ALA N N 15 127.4610 0.0000 . 1 . . . . . 7 ALA N . 50438 36 15 . 2 . 2 13 13 ALA H H 1 8.4030 0.0000 . 1 . . . . . 9 ALA H . 50438 36 16 . 2 . 2 13 13 ALA N N 15 126.2230 0.0000 . 1 . . . . . 9 ALA N . 50438 36 17 . 2 . 2 15 15 LYS H H 1 8.4350 0.0000 . 1 . . . . . 11 LYS H . 50438 36 18 . 2 . 2 15 15 LYS N N 15 122.5850 0.0000 . 1 . . . . . 11 LYS N . 50438 36 19 . 2 . 2 16 16 LYS H H 1 8.4760 0.0000 . 1 . . . . . 12 LYS H . 50438 36 20 . 2 . 2 16 16 LYS N N 15 123.7470 0.0000 . 1 . . . . . 12 LYS N . 50438 36 21 . 2 . 2 17 17 GLY H H 1 8.5300 0.0000 . 1 . . . . . 13 GLY H . 50438 36 22 . 2 . 2 17 17 GLY N N 15 111.1160 0.0000 . 1 . . . . . 13 GLY N . 50438 36 23 . 2 . 2 18 18 SER H H 1 8.2110 0.0000 . 1 . . . . . 14 SER H . 50438 36 24 . 2 . 2 18 18 SER N N 15 116.1660 0.0000 . 1 . . . . . 14 SER N . 50438 36 25 . 2 . 2 19 19 LYS H H 1 8.5180 0.0000 . 1 . . . . . 15 LYS H . 50438 36 26 . 2 . 2 19 19 LYS N N 15 124.1050 0.0000 . 1 . . . . . 15 LYS N . 50438 36 27 . 2 . 2 20 20 LYS H H 1 8.3390 0.0000 . 1 . . . . . 16 LYS H . 50438 36 28 . 2 . 2 20 20 LYS N N 15 123.1350 0.0000 . 1 . . . . . 16 LYS N . 50438 36 29 . 2 . 2 21 21 ALA H H 1 8.3370 0.0000 . 1 . . . . . 17 ALA H . 50438 36 30 . 2 . 2 21 21 ALA N N 15 125.9650 0.0000 . 1 . . . . . 17 ALA N . 50438 36 31 . 2 . 2 22 22 VAL H H 1 8.1780 0.0000 . 1 . . . . . 18 VAL H . 50438 36 32 . 2 . 2 22 22 VAL N N 15 120.3070 0.0000 . 1 . . . . . 18 VAL N . 50438 36 33 . 2 . 2 23 23 THR H H 1 8.2440 0.0000 . 1 . . . . . 19 THR H . 50438 36 34 . 2 . 2 23 23 THR N N 15 119.0390 0.0000 . 1 . . . . . 19 THR N . 50438 36 35 . 2 . 2 24 24 LYS H H 1 8.3940 0.0000 . 1 . . . . . 20 LYS H . 50438 36 36 . 2 . 2 24 24 LYS N N 15 124.6700 0.0000 . 1 . . . . . 20 LYS N . 50438 36 37 . 2 . 2 25 25 ALA H H 1 8.3170 0.0000 . 1 . . . . . 21 ALA H . 50438 36 38 . 2 . 2 25 25 ALA N N 15 125.3030 0.0000 . 1 . . . . . 21 ALA N . 50438 36 39 . 2 . 2 26 26 GLN H H 1 8.3210 0.0000 . 1 . . . . . 22 GLN H . 50438 36 40 . 2 . 2 26 26 GLN N N 15 120.2550 0.0000 . 1 . . . . . 22 GLN N . 50438 36 41 . 2 . 2 27 27 LYS H H 1 8.3820 0.0000 . 1 . . . . . 23 LYS H . 50438 36 42 . 2 . 2 27 27 LYS N N 15 123.6410 0.0000 . 1 . . . . . 23 LYS N . 50438 36 43 . 2 . 2 28 28 LYS H H 1 8.4980 0.0000 . 1 . . . . . 24 LYS H . 50438 36 44 . 2 . 2 28 28 LYS N N 15 123.5700 0.0000 . 1 . . . . . 24 LYS N . 50438 36 45 . 2 . 2 29 29 ASP H H 1 8.3130 0.0000 . 1 . . . . . 25 ASP H . 50438 36 46 . 2 . 2 29 29 ASP N N 15 121.3520 0.0000 . 1 . . . . . 25 ASP N . 50438 36 47 . 2 . 2 30 30 GLY H H 1 8.2660 0.0000 . 1 . . . . . 26 GLY H . 50438 36 48 . 2 . 2 30 30 GLY N N 15 109.4180 0.0000 . 1 . . . . . 26 GLY N . 50438 36 49 . 2 . 2 31 31 LYS H H 1 8.0770 0.0000 . 1 . . . . . 27 LYS H . 50438 36 50 . 2 . 2 31 31 LYS N N 15 121.4340 0.0000 . 1 . . . . . 27 LYS N . 50438 36 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_37 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_37 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 37 _Assigned_chem_shift_list.Name H2B_2_293K _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 5 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_5 _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 14 '2D 1H-15N' . . . 50438 37 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 . . 50438 37 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 . 2 . 2 10 10 SER H H 1 8.3060 0.0000 . 1 . . . . . 6 SER H . 50438 37 2 . 2 . 2 10 10 SER N N 15 117.9550 0.0000 . 1 . . . . . 6 SER N . 50438 37 3 . 2 . 2 21 21 ALA H H 1 8.3560 0.0000 . 1 . . . . . 17 ALA H . 50438 37 4 . 2 . 2 21 21 ALA N N 15 126.1140 0.0000 . 1 . . . . . 17 ALA N . 50438 37 5 . 2 . 2 22 22 VAL H H 1 8.2010 0.0000 . 1 . . . . . 18 VAL H . 50438 37 6 . 2 . 2 22 22 VAL N N 15 120.4990 0.0000 . 1 . . . . . 18 VAL N . 50438 37 7 . 2 . 2 23 23 THR H H 1 8.2660 0.0000 . 1 . . . . . 19 THR H . 50438 37 8 . 2 . 2 23 23 THR N N 15 119.3040 0.0000 . 1 . . . . . 19 THR N . 50438 37 9 . 2 . 2 24 24 LYS H H 1 8.4200 0.0000 . 1 . . . . . 20 LYS H . 50438 37 10 . 2 . 2 24 24 LYS N N 15 124.8970 0.0000 . 1 . . . . . 20 LYS N . 50438 37 11 . 2 . 2 25 25 ALA H H 1 8.3480 0.0000 . 1 . . . . . 21 ALA H . 50438 37 12 . 2 . 2 25 25 ALA N N 15 125.5650 0.0000 . 1 . . . . . 21 ALA N . 50438 37 13 . 2 . 2 26 26 GLN H H 1 8.3480 0.0000 . 1 . . . . . 22 GLN H . 50438 37 14 . 2 . 2 26 26 GLN N N 15 120.3960 0.0000 . 1 . . . . . 22 GLN N . 50438 37 15 . 2 . 2 27 27 LYS H H 1 8.4040 0.0000 . 1 . . . . . 23 LYS H . 50438 37 16 . 2 . 2 27 27 LYS N N 15 123.7670 0.0000 . 1 . . . . . 23 LYS N . 50438 37 17 . 2 . 2 28 28 LYS H H 1 8.5290 0.0000 . 1 . . . . . 24 LYS H . 50438 37 18 . 2 . 2 28 28 LYS N N 15 123.7060 0.0000 . 1 . . . . . 24 LYS N . 50438 37 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_38 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_38 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 38 _Assigned_chem_shift_list.Name H2A_1_298K _Assigned_chem_shift_list.Sample_condition_list_ID 8 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_8 _Assigned_chem_shift_list.Chem_shift_reference_ID 6 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_6 _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 15 '2D 1H-15N' . . . 50438 38 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 . . 50438 38 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 3 3 GLY H H 1 8.5840 0.0000 . 1 . . . . . -1 GLY H . 50438 38 2 . 1 . 1 3 3 GLY N N 15 110.1130 0.0000 . 1 . . . . . -1 GLY N . 50438 38 3 . 1 . 1 4 4 MET H H 1 8.2650 0.0000 . 1 . . . . . 0 MET H . 50438 38 4 . 1 . 1 4 4 MET N N 15 120.4130 0.0000 . 1 . . . . . 0 MET N . 50438 38 5 . 1 . 1 5 5 SER H H 1 8.3580 0.0000 . 1 . . . . . 1 SER H . 50438 38 6 . 1 . 1 5 5 SER N N 15 117.3290 0.0000 . 1 . . . . . 1 SER N . 50438 38 7 . 1 . 1 6 6 GLY H H 1 8.4370 0.0000 . 1 . . . . . 2 GLY H . 50438 38 8 . 1 . 1 6 6 GLY N N 15 111.1500 0.0000 . 1 . . . . . 2 GLY N . 50438 38 9 . 1 . 1 7 7 ARG H H 1 8.1260 0.0000 . 1 . . . . . 3 ARG H . 50438 38 10 . 1 . 1 7 7 ARG N N 15 120.6200 0.0000 . 1 . . . . . 3 ARG N . 50438 38 11 . 1 . 1 8 8 GLY H H 1 8.4520 0.0000 . 1 . . . . . 4 GLY H . 50438 38 12 . 1 . 1 8 8 GLY N N 15 110.0970 0.0000 . 1 . . . . . 4 GLY N . 50438 38 13 . 1 . 1 9 9 LYS H H 1 8.1710 0.0000 . 1 . . . . . 5 LYS H . 50438 38 14 . 1 . 1 9 9 LYS N N 15 121.3650 0.0000 . 1 . . . . . 5 LYS N . 50438 38 15 . 1 . 1 10 10 GLN H H 1 8.4970 0.0000 . 1 . . . . . 6 GLN H . 50438 38 16 . 1 . 1 10 10 GLN N N 15 121.8450 0.0000 . 1 . . . . . 6 GLN N . 50438 38 17 . 1 . 1 11 11 GLY H H 1 8.3910 0.0000 . 1 . . . . . 7 GLY H . 50438 38 18 . 1 . 1 11 11 GLY N N 15 110.3850 0.0000 . 1 . . . . . 7 GLY N . 50438 38 19 . 1 . 1 12 12 GLY H H 1 8.2840 0.0000 . 1 . . . . . 8 GLY H . 50438 38 20 . 1 . 1 12 12 GLY N N 15 109.2550 0.0000 . 1 . . . . . 8 GLY N . 50438 38 21 . 1 . 1 124 124 THR H H 1 8.2450 0.0000 . 1 . . . . . 120 THR H . 50438 38 22 . 1 . 1 124 124 THR N N 15 117.1630 0.0000 . 1 . . . . . 120 THR N . 50438 38 23 . 1 . 1 125 125 GLU H H 1 8.4840 0.0000 . 1 . . . . . 121 GLU H . 50438 38 24 . 1 . 1 125 125 GLU N N 15 124.1470 0.0000 . 1 . . . . . 121 GLU N . 50438 38 25 . 1 . 1 126 126 SER H H 1 8.3820 0.0000 . 1 . . . . . 122 SER H . 50438 38 26 . 1 . 1 126 126 SER N N 15 117.8860 0.0000 . 1 . . . . . 122 SER N . 50438 38 27 . 1 . 1 127 127 HIS H H 1 8.6380 0.0000 . 1 . . . . . 123 HIS H . 50438 38 28 . 1 . 1 127 127 HIS N N 15 120.8100 0.0000 . 1 . . . . . 123 HIS N . 50438 38 29 . 1 . 1 128 128 HIS H H 1 8.5460 0.0000 . 1 . . . . . 124 HIS H . 50438 38 30 . 1 . 1 128 128 HIS N N 15 120.3120 0.0000 . 1 . . . . . 124 HIS N . 50438 38 31 . 1 . 1 129 129 LYS H H 1 8.5140 0.0000 . 1 . . . . . 125 LYS H . 50438 38 32 . 1 . 1 129 129 LYS N N 15 124.1520 0.0000 . 1 . . . . . 125 LYS N . 50438 38 33 . 1 . 1 130 130 ALA H H 1 8.4430 0.0000 . 1 . . . . . 126 ALA H . 50438 38 34 . 1 . 1 130 130 ALA N N 15 126.4900 0.0000 . 1 . . . . . 126 ALA N . 50438 38 35 . 1 . 1 131 131 LYS H H 1 8.4140 0.0000 . 1 . . . . . 127 LYS H . 50438 38 36 . 1 . 1 131 131 LYS N N 15 121.6590 0.0000 . 1 . . . . . 127 LYS N . 50438 38 37 . 1 . 1 132 132 GLY H H 1 8.4360 0.0000 . 1 . . . . . 128 GLY H . 50438 38 38 . 1 . 1 132 132 GLY N N 15 111.1110 0.0000 . 1 . . . . . 128 GLY N . 50438 38 39 . 1 . 1 133 133 LYS H H 1 7.8020 0.0000 . 1 . . . . . 129 LYS H . 50438 38 40 . 1 . 1 133 133 LYS N N 15 126.2060 0.0000 . 1 . . . . . 129 LYS N . 50438 38 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_39 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_39 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 39 _Assigned_chem_shift_list.Name H2A_2_298K _Assigned_chem_shift_list.Sample_condition_list_ID 8 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_8 _Assigned_chem_shift_list.Chem_shift_reference_ID 6 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_6 _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 15 '2D 1H-15N' . . . 50438 39 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 . . 50438 39 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 6 6 GLY H H 1 8.4750 0.0000 . 1 . . . . . 2 GLY H . 50438 39 2 . 1 . 1 6 6 GLY N N 15 111.1710 0.0000 . 1 . . . . . 2 GLY N . 50438 39 3 . 1 . 1 7 7 ARG H H 1 8.1490 0.0000 . 1 . . . . . 3 ARG H . 50438 39 4 . 1 . 1 7 7 ARG N N 15 120.6770 0.0000 . 1 . . . . . 3 ARG N . 50438 39 5 . 1 . 1 8 8 GLY H H 1 8.4900 0.0000 . 1 . . . . . 4 GLY H . 50438 39 6 . 1 . 1 8 8 GLY N N 15 110.3780 0.0000 . 1 . . . . . 4 GLY N . 50438 39 7 . 1 . 1 9 9 LYS H H 1 8.2060 0.0000 . 1 . . . . . 5 LYS H . 50438 39 8 . 1 . 1 9 9 LYS N N 15 121.2950 0.0000 . 1 . . . . . 5 LYS N . 50438 39 9 . 1 . 1 10 10 GLN H H 1 8.5070 0.0000 . 1 . . . . . 6 GLN H . 50438 39 10 . 1 . 1 10 10 GLN N N 15 121.9830 0.0000 . 1 . . . . . 6 GLN N . 50438 39 11 . 1 . 1 11 11 GLY H H 1 8.4280 0.0000 . 1 . . . . . 7 GLY H . 50438 39 12 . 1 . 1 11 11 GLY N N 15 110.4620 0.0000 . 1 . . . . . 7 GLY N . 50438 39 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_40 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_40 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 40 _Assigned_chem_shift_list.Name H2B_1_298K _Assigned_chem_shift_list.Sample_condition_list_ID 8 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_8 _Assigned_chem_shift_list.Chem_shift_reference_ID 6 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_6 _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 15 '2D 1H-15N' . . . 50438 40 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 . . 50438 40 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 . 2 . 2 3 3 GLY H H 1 8.5470 0.0000 . 1 . . . . . -1 GLY H . 50438 40 2 . 2 . 2 3 3 GLY N N 15 110.3340 0.0000 . 1 . . . . . -1 GLY N . 50438 40 3 . 2 . 2 4 4 MET H H 1 8.0740 0.0000 . 1 . . . . . 0 MET H . 50438 40 4 . 2 . 2 4 4 MET N N 15 121.3830 0.0000 . 1 . . . . . 0 MET N . 50438 40 5 . 2 . 2 6 6 GLU H H 1 8.3960 0.0000 . 1 . . . . . 2 GLU H . 50438 40 6 . 2 . 2 6 6 GLU N N 15 122.8280 0.0000 . 1 . . . . . 2 GLU N . 50438 40 7 . 2 . 2 8 8 ALA H H 1 8.3290 0.0000 . 1 . . . . . 4 ALA H . 50438 40 8 . 2 . 2 8 8 ALA N N 15 124.3580 0.0000 . 1 . . . . . 4 ALA N . 50438 40 9 . 2 . 2 9 9 LYS H H 1 8.2430 0.0000 . 1 . . . . . 5 LYS H . 50438 40 10 . 2 . 2 9 9 LYS N N 15 121.1160 0.0000 . 1 . . . . . 5 LYS N . 50438 40 11 . 2 . 2 10 10 SER H H 1 8.2350 0.0000 . 1 . . . . . 6 SER H . 50438 40 12 . 2 . 2 10 10 SER N N 15 117.6390 0.0000 . 1 . . . . . 6 SER N . 50438 40 13 . 2 . 2 11 11 ALA H H 1 8.2490 0.0000 . 1 . . . . . 7 ALA H . 50438 40 14 . 2 . 2 11 11 ALA N N 15 127.3480 0.0000 . 1 . . . . . 7 ALA N . 50438 40 15 . 2 . 2 13 13 ALA H H 1 8.3510 0.0000 . 1 . . . . . 9 ALA H . 50438 40 16 . 2 . 2 13 13 ALA N N 15 126.0900 0.0000 . 1 . . . . . 9 ALA N . 50438 40 17 . 2 . 2 15 15 LYS H H 1 8.3930 0.0000 . 1 . . . . . 11 LYS H . 50438 40 18 . 2 . 2 15 15 LYS N N 15 122.4750 0.0000 . 1 . . . . . 11 LYS N . 50438 40 19 . 2 . 2 16 16 LYS H H 1 8.4290 0.0000 . 1 . . . . . 12 LYS H . 50438 40 20 . 2 . 2 16 16 LYS N N 15 123.5820 0.0000 . 1 . . . . . 12 LYS N . 50438 40 21 . 2 . 2 17 17 GLY H H 1 8.4920 0.0000 . 1 . . . . . 13 GLY H . 50438 40 22 . 2 . 2 17 17 GLY N N 15 110.9990 0.0000 . 1 . . . . . 13 GLY N . 50438 40 23 . 2 . 2 18 18 SER H H 1 8.1810 0.0000 . 1 . . . . . 14 SER H . 50438 40 24 . 2 . 2 18 18 SER N N 15 116.0960 0.0000 . 1 . . . . . 14 SER N . 50438 40 25 . 2 . 2 19 19 LYS H H 1 8.4770 0.0000 . 1 . . . . . 15 LYS H . 50438 40 26 . 2 . 2 19 19 LYS N N 15 124.0190 0.0000 . 1 . . . . . 15 LYS N . 50438 40 27 . 2 . 2 20 20 LYS H H 1 8.2990 0.0000 . 1 . . . . . 16 LYS H . 50438 40 28 . 2 . 2 20 20 LYS N N 15 122.9870 0.0000 . 1 . . . . . 16 LYS N . 50438 40 29 . 2 . 2 21 21 ALA H H 1 8.2960 0.0000 . 1 . . . . . 17 ALA H . 50438 40 30 . 2 . 2 21 21 ALA N N 15 125.8180 0.0000 . 1 . . . . . 17 ALA N . 50438 40 31 . 2 . 2 22 22 VAL H H 1 8.1320 0.0000 . 1 . . . . . 18 VAL H . 50438 40 32 . 2 . 2 22 22 VAL N N 15 120.1270 0.0000 . 1 . . . . . 18 VAL N . 50438 40 33 . 2 . 2 23 23 THR H H 1 8.2000 0.0000 . 1 . . . . . 19 THR H . 50438 40 34 . 2 . 2 23 23 THR N N 15 118.7970 0.0000 . 1 . . . . . 19 THR N . 50438 40 35 . 2 . 2 24 24 LYS H H 1 8.3450 0.0000 . 1 . . . . . 20 LYS H . 50438 40 36 . 2 . 2 24 24 LYS N N 15 124.5470 0.0000 . 1 . . . . . 20 LYS N . 50438 40 37 . 2 . 2 25 25 ALA H H 1 8.2820 0.0000 . 1 . . . . . 21 ALA H . 50438 40 38 . 2 . 2 25 25 ALA N N 15 125.2350 0.0000 . 1 . . . . . 21 ALA N . 50438 40 39 . 2 . 2 26 26 GLN H H 1 8.2800 0.0000 . 1 . . . . . 22 GLN H . 50438 40 40 . 2 . 2 26 26 GLN N N 15 120.1420 0.0000 . 1 . . . . . 22 GLN N . 50438 40 41 . 2 . 2 27 27 LYS H H 1 8.3390 0.0000 . 1 . . . . . 23 LYS H . 50438 40 42 . 2 . 2 27 27 LYS N N 15 123.4900 0.0000 . 1 . . . . . 23 LYS N . 50438 40 43 . 2 . 2 28 28 LYS H H 1 8.4550 0.0000 . 1 . . . . . 24 LYS H . 50438 40 44 . 2 . 2 28 28 LYS N N 15 123.4730 0.0000 . 1 . . . . . 24 LYS N . 50438 40 45 . 2 . 2 29 29 ASP H H 1 8.2880 0.0000 . 1 . . . . . 25 ASP H . 50438 40 46 . 2 . 2 29 29 ASP N N 15 121.2980 0.0000 . 1 . . . . . 25 ASP N . 50438 40 47 . 2 . 2 30 30 GLY H H 1 8.2340 0.0000 . 1 . . . . . 26 GLY H . 50438 40 48 . 2 . 2 30 30 GLY N N 15 109.3470 0.0000 . 1 . . . . . 26 GLY N . 50438 40 49 . 2 . 2 31 31 LYS H H 1 8.0490 0.0000 . 1 . . . . . 27 LYS H . 50438 40 50 . 2 . 2 31 31 LYS N N 15 121.3900 0.0000 . 1 . . . . . 27 LYS N . 50438 40 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_41 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_41 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 41 _Assigned_chem_shift_list.Name H2B_2_298K _Assigned_chem_shift_list.Sample_condition_list_ID 8 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_8 _Assigned_chem_shift_list.Chem_shift_reference_ID 6 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_6 _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 15 '2D 1H-15N' . . . 50438 41 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 . . 50438 41 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 . 2 . 2 10 10 SER H H 1 8.2650 0.0000 . 1 . . . . . 6 SER H . 50438 41 2 . 2 . 2 10 10 SER N N 15 117.8370 0.0000 . 1 . . . . . 6 SER N . 50438 41 3 . 2 . 2 21 21 ALA H H 1 8.3120 0.0000 . 1 . . . . . 17 ALA H . 50438 41 4 . 2 . 2 21 21 ALA N N 15 125.9530 0.0000 . 1 . . . . . 17 ALA N . 50438 41 5 . 2 . 2 22 22 VAL H H 1 8.1500 0.0000 . 1 . . . . . 18 VAL H . 50438 41 6 . 2 . 2 22 22 VAL N N 15 120.2580 0.0000 . 1 . . . . . 18 VAL N . 50438 41 7 . 2 . 2 23 23 THR H H 1 8.2210 0.0000 . 1 . . . . . 19 THR H . 50438 41 8 . 2 . 2 23 23 THR N N 15 119.0760 0.0000 . 1 . . . . . 19 THR N . 50438 41 9 . 2 . 2 24 24 LYS H H 1 8.3740 0.0000 . 1 . . . . . 20 LYS H . 50438 41 10 . 2 . 2 24 24 LYS N N 15 124.7400 0.0000 . 1 . . . . . 20 LYS N . 50438 41 11 . 2 . 2 25 25 ALA H H 1 8.3120 0.0000 . 1 . . . . . 21 ALA H . 50438 41 12 . 2 . 2 25 25 ALA N N 15 125.4790 0.0000 . 1 . . . . . 21 ALA N . 50438 41 13 . 2 . 2 26 26 GLN H H 1 8.3020 0.0000 . 1 . . . . . 22 GLN H . 50438 41 14 . 2 . 2 26 26 GLN N N 15 120.2870 0.0000 . 1 . . . . . 22 GLN N . 50438 41 15 . 2 . 2 27 27 LYS H H 1 8.3580 0.0000 . 1 . . . . . 23 LYS H . 50438 41 16 . 2 . 2 27 27 LYS N N 15 123.6150 0.0000 . 1 . . . . . 23 LYS N . 50438 41 17 . 2 . 2 28 28 LYS H H 1 8.4890 0.0000 . 1 . . . . . 24 LYS H . 50438 41 18 . 2 . 2 28 28 LYS N N 15 123.5630 0.0000 . 1 . . . . . 24 LYS N . 50438 41 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_42 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_42 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 42 _Assigned_chem_shift_list.Name H2A_1_303K _Assigned_chem_shift_list.Sample_condition_list_ID 9 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_9 _Assigned_chem_shift_list.Chem_shift_reference_ID 7 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_7 _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 16 '2D 1H-15N' . . . 50438 42 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 . . 50438 42 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 3 3 GLY H H 1 8.5530 0.0000 . 1 . . . . . -1 GLY H . 50438 42 2 . 1 . 1 3 3 GLY N N 15 110.0080 0.0000 . 1 . . . . . -1 GLY N . 50438 42 3 . 1 . 1 4 4 MET H H 1 8.2350 0.0000 . 1 . . . . . 0 MET H . 50438 42 4 . 1 . 1 4 4 MET N N 15 120.3610 0.0000 . 1 . . . . . 0 MET N . 50438 42 5 . 1 . 1 5 5 SER H H 1 8.3270 0.0000 . 1 . . . . . 1 SER H . 50438 42 6 . 1 . 1 5 5 SER N N 15 117.2710 0.0000 . 1 . . . . . 1 SER N . 50438 42 7 . 1 . 1 6 6 GLY H H 1 8.4060 0.0000 . 1 . . . . . 2 GLY H . 50438 42 8 . 1 . 1 6 6 GLY N N 15 111.0800 0.0000 . 1 . . . . . 2 GLY N . 50438 42 9 . 1 . 1 7 7 ARG H H 1 8.1060 0.0000 . 1 . . . . . 3 ARG H . 50438 42 10 . 1 . 1 7 7 ARG N N 15 120.6040 0.0000 . 1 . . . . . 3 ARG N . 50438 42 11 . 1 . 1 8 8 GLY H H 1 8.4250 0.0000 . 1 . . . . . 4 GLY H . 50438 42 12 . 1 . 1 8 8 GLY N N 15 110.0570 0.0000 . 1 . . . . . 4 GLY N . 50438 42 13 . 1 . 1 9 9 LYS H H 1 8.1440 0.0000 . 1 . . . . . 5 LYS H . 50438 42 14 . 1 . 1 9 9 LYS N N 15 121.2780 0.0000 . 1 . . . . . 5 LYS N . 50438 42 15 . 1 . 1 10 10 GLN H H 1 8.4630 0.0000 . 1 . . . . . 6 GLN H . 50438 42 16 . 1 . 1 10 10 GLN N N 15 121.7100 0.0000 . 1 . . . . . 6 GLN N . 50438 42 17 . 1 . 1 11 11 GLY H H 1 8.3610 0.0000 . 1 . . . . . 7 GLY H . 50438 42 18 . 1 . 1 11 11 GLY N N 15 110.2930 0.0000 . 1 . . . . . 7 GLY N . 50438 42 19 . 1 . 1 12 12 GLY H H 1 8.2550 0.0000 . 1 . . . . . 8 GLY H . 50438 42 20 . 1 . 1 12 12 GLY N N 15 109.2220 0.0000 . 1 . . . . . 8 GLY N . 50438 42 21 . 1 . 1 124 124 THR H H 1 8.2160 0.0000 . 1 . . . . . 120 THR H . 50438 42 22 . 1 . 1 124 124 THR N N 15 116.9830 0.0000 . 1 . . . . . 120 THR N . 50438 42 23 . 1 . 1 125 125 GLU H H 1 8.4490 0.0000 . 1 . . . . . 121 GLU H . 50438 42 24 . 1 . 1 125 125 GLU N N 15 124.0390 0.0000 . 1 . . . . . 121 GLU N . 50438 42 25 . 1 . 1 126 126 SER H H 1 8.3460 0.0000 . 1 . . . . . 122 SER H . 50438 42 26 . 1 . 1 126 126 SER N N 15 117.7640 0.0000 . 1 . . . . . 122 SER N . 50438 42 27 . 1 . 1 127 127 HIS H H 1 8.5950 0.0000 . 1 . . . . . 123 HIS H . 50438 42 28 . 1 . 1 127 127 HIS N N 15 120.8450 0.0000 . 1 . . . . . 123 HIS N . 50438 42 29 . 1 . 1 128 128 HIS H H 1 8.5170 0.0000 . 1 . . . . . 124 HIS H . 50438 42 30 . 1 . 1 128 128 HIS N N 15 120.2570 0.0000 . 1 . . . . . 124 HIS N . 50438 42 31 . 1 . 1 129 129 LYS H H 1 8.4790 0.0000 . 1 . . . . . 125 LYS H . 50438 42 32 . 1 . 1 129 129 LYS N N 15 124.0820 0.0000 . 1 . . . . . 125 LYS N . 50438 42 33 . 1 . 1 130 130 ALA H H 1 8.4080 0.0000 . 1 . . . . . 126 ALA H . 50438 42 34 . 1 . 1 130 130 ALA N N 15 126.4060 0.0000 . 1 . . . . . 126 ALA N . 50438 42 35 . 1 . 1 131 131 LYS H H 1 8.3770 0.0000 . 1 . . . . . 127 LYS H . 50438 42 36 . 1 . 1 131 131 LYS N N 15 121.5310 0.0000 . 1 . . . . . 127 LYS N . 50438 42 37 . 1 . 1 132 132 GLY H H 1 8.4040 0.0000 . 1 . . . . . 128 GLY H . 50438 42 38 . 1 . 1 132 132 GLY N N 15 111.0420 0.0000 . 1 . . . . . 128 GLY N . 50438 42 39 . 1 . 1 133 133 LYS H H 1 7.7710 0.0000 . 1 . . . . . 129 LYS H . 50438 42 40 . 1 . 1 133 133 LYS N N 15 126.1800 0.0000 . 1 . . . . . 129 LYS N . 50438 42 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_43 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_43 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 43 _Assigned_chem_shift_list.Name H2A_2_303K _Assigned_chem_shift_list.Sample_condition_list_ID 9 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_9 _Assigned_chem_shift_list.Chem_shift_reference_ID 7 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_7 _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 16 '2D 1H-15N' . . . 50438 43 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 . . 50438 43 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 6 6 GLY H H 1 8.4380 0.0000 . 1 . . . . . 2 GLY H . 50438 43 2 . 1 . 1 6 6 GLY N N 15 111.1050 0.0000 . 1 . . . . . 2 GLY N . 50438 43 3 . 1 . 1 7 7 ARG H H 1 8.1270 0.0000 . 1 . . . . . 3 ARG H . 50438 43 4 . 1 . 1 7 7 ARG N N 15 120.6450 0.0000 . 1 . . . . . 3 ARG N . 50438 43 5 . 1 . 1 8 8 GLY H H 1 8.4520 0.0000 . 1 . . . . . 4 GLY H . 50438 43 6 . 1 . 1 8 8 GLY N N 15 110.2230 0.0000 . 1 . . . . . 4 GLY N . 50438 43 7 . 1 . 1 9 9 LYS H H 1 8.1810 0.0000 . 1 . . . . . 5 LYS H . 50438 43 8 . 1 . 1 9 9 LYS N N 15 121.2470 0.0000 . 1 . . . . . 5 LYS N . 50438 43 9 . 1 . 1 10 10 GLN H H 1 8.4740 0.0000 . 1 . . . . . 6 GLN H . 50438 43 10 . 1 . 1 10 10 GLN N N 15 121.9100 0.0000 . 1 . . . . . 6 GLN N . 50438 43 11 . 1 . 1 11 11 GLY H H 1 8.3980 0.0000 . 1 . . . . . 7 GLY H . 50438 43 12 . 1 . 1 11 11 GLY N N 15 110.4230 0.0000 . 1 . . . . . 7 GLY N . 50438 43 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_44 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_44 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 44 _Assigned_chem_shift_list.Name H2B_1_303K _Assigned_chem_shift_list.Sample_condition_list_ID 9 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_9 _Assigned_chem_shift_list.Chem_shift_reference_ID 7 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_7 _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 16 '2D 1H-15N' . . . 50438 44 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 . . 50438 44 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 . 2 . 2 3 3 GLY H H 1 8.5150 0.0000 . 1 . . . . . -1 GLY H . 50438 44 2 . 2 . 2 3 3 GLY N N 15 110.2620 0.0000 . 1 . . . . . -1 GLY N . 50438 44 3 . 2 . 2 4 4 MET H H 1 8.0430 0.0000 . 1 . . . . . 0 MET H . 50438 44 4 . 2 . 2 4 4 MET N N 15 121.3250 0.0000 . 1 . . . . . 0 MET N . 50438 44 5 . 2 . 2 6 6 GLU H H 1 8.3530 0.0000 . 1 . . . . . 2 GLU H . 50438 44 6 . 2 . 2 6 6 GLU N N 15 122.7480 0.0000 . 1 . . . . . 2 GLU N . 50438 44 7 . 2 . 2 8 8 ALA H H 1 8.2920 0.0000 . 1 . . . . . 4 ALA H . 50438 44 8 . 2 . 2 8 8 ALA N N 15 124.2240 0.0000 . 1 . . . . . 4 ALA N . 50438 44 9 . 2 . 2 9 9 LYS H H 1 8.2010 0.0000 . 1 . . . . . 5 LYS H . 50438 44 10 . 2 . 2 9 9 LYS N N 15 120.9920 0.0000 . 1 . . . . . 5 LYS N . 50438 44 11 . 2 . 2 10 10 SER H H 1 8.1980 0.0000 . 1 . . . . . 6 SER H . 50438 44 12 . 2 . 2 10 10 SER N N 15 117.5500 0.0000 . 1 . . . . . 6 SER N . 50438 44 13 . 2 . 2 11 11 ALA H H 1 8.2050 0.0000 . 1 . . . . . 7 ALA H . 50438 44 14 . 2 . 2 11 11 ALA N N 15 127.2260 0.0000 . 1 . . . . . 7 ALA N . 50438 44 15 . 2 . 2 13 13 ALA H H 1 8.3080 0.0000 . 1 . . . . . 9 ALA H . 50438 44 16 . 2 . 2 13 13 ALA N N 15 125.9680 0.0000 . 1 . . . . . 9 ALA N . 50438 44 17 . 2 . 2 15 15 LYS H H 1 8.3550 0.0000 . 1 . . . . . 11 LYS H . 50438 44 18 . 2 . 2 15 15 LYS N N 15 122.3500 0.0000 . 1 . . . . . 11 LYS N . 50438 44 19 . 2 . 2 16 16 LYS H H 1 8.3910 0.0000 . 1 . . . . . 12 LYS H . 50438 44 20 . 2 . 2 16 16 LYS N N 15 123.4420 0.0000 . 1 . . . . . 12 LYS N . 50438 44 21 . 2 . 2 17 17 GLY H H 1 8.4620 0.0000 . 1 . . . . . 13 GLY H . 50438 44 22 . 2 . 2 17 17 GLY N N 15 110.8780 0.0000 . 1 . . . . . 13 GLY N . 50438 44 23 . 2 . 2 18 18 SER H H 1 8.1550 0.0000 . 1 . . . . . 14 SER H . 50438 44 24 . 2 . 2 18 18 SER N N 15 116.0630 0.0000 . 1 . . . . . 14 SER N . 50438 44 25 . 2 . 2 19 19 LYS H H 1 8.4480 0.0000 . 1 . . . . . 15 LYS H . 50438 44 26 . 2 . 2 19 19 LYS N N 15 123.9290 0.0000 . 1 . . . . . 15 LYS N . 50438 44 27 . 2 . 2 20 20 LYS H H 1 8.2700 0.0000 . 1 . . . . . 16 LYS H . 50438 44 28 . 2 . 2 20 20 LYS N N 15 122.8570 0.0000 . 1 . . . . . 16 LYS N . 50438 44 29 . 2 . 2 21 21 ALA H H 1 8.2620 0.0000 . 1 . . . . . 17 ALA H . 50438 44 30 . 2 . 2 21 21 ALA N N 15 125.6750 0.0000 . 1 . . . . . 17 ALA N . 50438 44 31 . 2 . 2 22 22 VAL H H 1 8.0970 0.0000 . 1 . . . . . 18 VAL H . 50438 44 32 . 2 . 2 22 22 VAL N N 15 119.9690 0.0000 . 1 . . . . . 18 VAL N . 50438 44 33 . 2 . 2 23 23 THR H H 1 8.1630 0.0000 . 1 . . . . . 19 THR H . 50438 44 34 . 2 . 2 23 23 THR N N 15 118.5780 0.0000 . 1 . . . . . 19 THR N . 50438 44 35 . 2 . 2 24 24 LYS H H 1 8.3210 0.0000 . 1 . . . . . 20 LYS H . 50438 44 36 . 2 . 2 24 24 LYS N N 15 124.4310 0.0000 . 1 . . . . . 20 LYS N . 50438 44 37 . 2 . 2 25 25 ALA H H 1 8.2530 0.0000 . 1 . . . . . 21 ALA H . 50438 44 38 . 2 . 2 25 25 ALA N N 15 125.1630 0.0000 . 1 . . . . . 21 ALA N . 50438 44 39 . 2 . 2 26 26 GLN H H 1 8.2480 0.0000 . 1 . . . . . 22 GLN H . 50438 44 40 . 2 . 2 26 26 GLN N N 15 120.0210 0.0000 . 1 . . . . . 22 GLN N . 50438 44 41 . 2 . 2 27 27 LYS H H 1 8.3110 0.0000 . 1 . . . . . 23 LYS H . 50438 44 42 . 2 . 2 27 27 LYS N N 15 123.4040 0.0000 . 1 . . . . . 23 LYS N . 50438 44 43 . 2 . 2 28 28 LYS H H 1 8.4240 0.0000 . 1 . . . . . 24 LYS H . 50438 44 44 . 2 . 2 28 28 LYS N N 15 123.3580 0.0000 . 1 . . . . . 24 LYS N . 50438 44 45 . 2 . 2 29 29 ASP H H 1 8.2610 0.0000 . 1 . . . . . 25 ASP H . 50438 44 46 . 2 . 2 29 29 ASP N N 15 121.2800 0.0000 . 1 . . . . . 25 ASP N . 50438 44 47 . 2 . 2 30 30 GLY H H 1 8.2090 0.0000 . 1 . . . . . 26 GLY H . 50438 44 48 . 2 . 2 30 30 GLY N N 15 109.3130 0.0000 . 1 . . . . . 26 GLY N . 50438 44 49 . 2 . 2 31 31 LYS H H 1 8.0220 0.0000 . 1 . . . . . 27 LYS H . 50438 44 50 . 2 . 2 31 31 LYS N N 15 121.3680 0.0000 . 1 . . . . . 27 LYS N . 50438 44 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_45 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_45 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 45 _Assigned_chem_shift_list.Name H2B_2_303K _Assigned_chem_shift_list.Sample_condition_list_ID 9 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_9 _Assigned_chem_shift_list.Chem_shift_reference_ID 7 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_7 _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 16 '2D 1H-15N' . . . 50438 45 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 . . 50438 45 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 . 2 . 2 10 10 SER H H 1 8.2310 0.0000 . 1 . . . . . 6 SER H . 50438 45 2 . 2 . 2 10 10 SER N N 15 117.6740 0.0000 . 1 . . . . . 6 SER N . 50438 45 3 . 2 . 2 21 21 ALA H H 1 8.2780 0.0000 . 1 . . . . . 17 ALA H . 50438 45 4 . 2 . 2 21 21 ALA N N 15 125.8390 0.0000 . 1 . . . . . 17 ALA N . 50438 45 5 . 2 . 2 22 22 VAL H H 1 8.1120 0.0000 . 1 . . . . . 18 VAL H . 50438 45 6 . 2 . 2 22 22 VAL N N 15 120.0840 0.0000 . 1 . . . . . 18 VAL N . 50438 45 7 . 2 . 2 23 23 THR H H 1 8.1840 0.0000 . 1 . . . . . 19 THR H . 50438 45 8 . 2 . 2 23 23 THR N N 15 118.8360 0.0000 . 1 . . . . . 19 THR N . 50438 45 9 . 2 . 2 24 24 LYS H H 1 8.3360 0.0000 . 1 . . . . . 20 LYS H . 50438 45 10 . 2 . 2 24 24 LYS N N 15 124.5580 0.0000 . 1 . . . . . 20 LYS N . 50438 45 11 . 2 . 2 25 25 ALA H H 1 8.2780 0.0000 . 1 . . . . . 21 ALA H . 50438 45 12 . 2 . 2 25 25 ALA N N 15 125.3740 0.0000 . 1 . . . . . 21 ALA N . 50438 45 13 . 2 . 2 26 26 GLN H H 1 8.2690 0.0000 . 1 . . . . . 22 GLN H . 50438 45 14 . 2 . 2 26 26 GLN N N 15 120.1810 0.0000 . 1 . . . . . 22 GLN N . 50438 45 15 . 2 . 2 27 27 LYS H H 1 8.3260 0.0000 . 1 . . . . . 23 LYS H . 50438 45 16 . 2 . 2 27 27 LYS N N 15 123.4970 0.0000 . 1 . . . . . 23 LYS N . 50438 45 17 . 2 . 2 28 28 LYS H H 1 8.4520 0.0000 . 1 . . . . . 24 LYS H . 50438 45 18 . 2 . 2 28 28 LYS N N 15 123.5130 0.0000 . 1 . . . . . 24 LYS N . 50438 45 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_46 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_46 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 46 _Assigned_chem_shift_list.Name H2A_1_308K _Assigned_chem_shift_list.Sample_condition_list_ID 10 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_10 _Assigned_chem_shift_list.Chem_shift_reference_ID 8 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_8 _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 17 '2D 1H-15N' . . . 50438 46 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 . . 50438 46 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 3 3 GLY H H 1 8.5190 0.0000 . 1 . . . . . -1 GLY H . 50438 46 2 . 1 . 1 3 3 GLY N N 15 109.9330 0.0000 . 1 . . . . . -1 GLY N . 50438 46 3 . 1 . 1 4 4 MET H H 1 8.2010 0.0000 . 1 . . . . . 0 MET H . 50438 46 4 . 1 . 1 4 4 MET N N 15 120.3170 0.0000 . 1 . . . . . 0 MET N . 50438 46 5 . 1 . 1 5 5 SER H H 1 8.2920 0.0000 . 1 . . . . . 1 SER H . 50438 46 6 . 1 . 1 5 5 SER N N 15 117.1850 0.0000 . 1 . . . . . 1 SER N . 50438 46 7 . 1 . 1 6 6 GLY H H 1 8.3810 0.0000 . 1 . . . . . 2 GLY H . 50438 46 8 . 1 . 1 6 6 GLY N N 15 110.9960 0.0000 . 1 . . . . . 2 GLY N . 50438 46 9 . 1 . 1 7 7 ARG H H 1 8.0830 0.0000 . 1 . . . . . 3 ARG H . 50438 46 10 . 1 . 1 7 7 ARG N N 15 120.5790 0.0000 . 1 . . . . . 3 ARG N . 50438 46 11 . 1 . 1 8 8 GLY H H 1 8.3940 0.0000 . 1 . . . . . 4 GLY H . 50438 46 12 . 1 . 1 8 8 GLY N N 15 110.0080 0.0000 . 1 . . . . . 4 GLY N . 50438 46 13 . 1 . 1 9 9 LYS H H 1 8.1270 0.0000 . 1 . . . . . 5 LYS H . 50438 46 14 . 1 . 1 9 9 LYS N N 15 121.2960 0.0000 . 1 . . . . . 5 LYS N . 50438 46 15 . 1 . 1 10 10 GLN H H 1 8.4260 0.0000 . 1 . . . . . 6 GLN H . 50438 46 16 . 1 . 1 10 10 GLN N N 15 121.6660 0.0000 . 1 . . . . . 6 GLN N . 50438 46 17 . 1 . 1 11 11 GLY H H 1 8.3270 0.0000 . 1 . . . . . 7 GLY H . 50438 46 18 . 1 . 1 11 11 GLY N N 15 110.2310 0.0000 . 1 . . . . . 7 GLY N . 50438 46 19 . 1 . 1 12 12 GLY H H 1 8.2280 0.0000 . 1 . . . . . 8 GLY H . 50438 46 20 . 1 . 1 12 12 GLY N N 15 109.1610 0.0000 . 1 . . . . . 8 GLY N . 50438 46 21 . 1 . 1 124 124 THR H H 1 8.1830 0.0000 . 1 . . . . . 120 THR H . 50438 46 22 . 1 . 1 124 124 THR N N 15 116.8240 0.0000 . 1 . . . . . 120 THR N . 50438 46 23 . 1 . 1 125 125 GLU H H 1 8.4130 0.0000 . 1 . . . . . 121 GLU H . 50438 46 24 . 1 . 1 125 125 GLU N N 15 123.9570 0.0000 . 1 . . . . . 121 GLU N . 50438 46 25 . 1 . 1 126 126 SER H H 1 8.3050 0.0000 . 1 . . . . . 122 SER H . 50438 46 26 . 1 . 1 126 126 SER N N 15 117.6390 0.0000 . 1 . . . . . 122 SER N . 50438 46 27 . 1 . 1 127 127 HIS H H 1 8.5640 0.0000 . 1 . . . . . 123 HIS H . 50438 46 28 . 1 . 1 127 127 HIS N N 15 120.7210 0.0000 . 1 . . . . . 123 HIS N . 50438 46 29 . 1 . 1 128 128 HIS H H 1 8.4810 0.0000 . 1 . . . . . 124 HIS H . 50438 46 30 . 1 . 1 128 128 HIS N N 15 120.1380 0.0000 . 1 . . . . . 124 HIS N . 50438 46 31 . 1 . 1 129 129 LYS H H 1 8.4390 0.0000 . 1 . . . . . 125 LYS H . 50438 46 32 . 1 . 1 129 129 LYS N N 15 123.9360 0.0000 . 1 . . . . . 125 LYS N . 50438 46 33 . 1 . 1 130 130 ALA H H 1 8.3640 0.0000 . 1 . . . . . 126 ALA H . 50438 46 34 . 1 . 1 130 130 ALA N N 15 126.2890 0.0000 . 1 . . . . . 126 ALA N . 50438 46 35 . 1 . 1 131 131 LYS H H 1 8.3360 0.0000 . 1 . . . . . 127 LYS H . 50438 46 36 . 1 . 1 131 131 LYS N N 15 121.4310 0.0000 . 1 . . . . . 127 LYS N . 50438 46 37 . 1 . 1 132 132 GLY H H 1 8.3670 0.0000 . 1 . . . . . 128 GLY H . 50438 46 38 . 1 . 1 132 132 GLY N N 15 110.9440 0.0000 . 1 . . . . . 128 GLY N . 50438 46 39 . 1 . 1 133 133 LYS H H 1 7.7380 0.0000 . 1 . . . . . 129 LYS H . 50438 46 40 . 1 . 1 133 133 LYS N N 15 126.1460 0.0000 . 1 . . . . . 129 LYS N . 50438 46 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_47 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_47 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 47 _Assigned_chem_shift_list.Name H2A_2_308K _Assigned_chem_shift_list.Sample_condition_list_ID 10 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_10 _Assigned_chem_shift_list.Chem_shift_reference_ID 8 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_8 _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 17 '2D 1H-15N' . . . 50438 47 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 . . 50438 47 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 6 6 GLY H H 1 8.4090 0.0000 . 1 . . . . . 2 GLY H . 50438 47 2 . 1 . 1 6 6 GLY N N 15 111.0820 0.0000 . 1 . . . . . 2 GLY N . 50438 47 3 . 1 . 1 7 7 ARG H H 1 8.1020 0.0000 . 1 . . . . . 3 ARG H . 50438 47 4 . 1 . 1 7 7 ARG N N 15 120.6270 0.0000 . 1 . . . . . 3 ARG N . 50438 47 5 . 1 . 1 8 8 GLY H H 1 8.4220 0.0000 . 1 . . . . . 4 GLY H . 50438 47 6 . 1 . 1 8 8 GLY N N 15 110.1660 0.0000 . 1 . . . . . 4 GLY N . 50438 47 7 . 1 . 1 9 9 LYS H H 1 8.1480 0.0000 . 1 . . . . . 5 LYS H . 50438 47 8 . 1 . 1 9 9 LYS N N 15 121.2300 0.0000 . 1 . . . . . 5 LYS N . 50438 47 9 . 1 . 1 10 10 GLN H H 1 8.4340 0.0000 . 1 . . . . . 6 GLN H . 50438 47 10 . 1 . 1 10 10 GLN N N 15 121.7830 0.0000 . 1 . . . . . 6 GLN N . 50438 47 11 . 1 . 1 11 11 GLY H H 1 8.3620 0.0000 . 1 . . . . . 7 GLY H . 50438 47 12 . 1 . 1 11 11 GLY N N 15 110.3060 0.0000 . 1 . . . . . 7 GLY N . 50438 47 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_48 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_48 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 48 _Assigned_chem_shift_list.Name H2B_1_308K _Assigned_chem_shift_list.Sample_condition_list_ID 10 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_10 _Assigned_chem_shift_list.Chem_shift_reference_ID 8 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_8 _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 17 '2D 1H-15N' . . . 50438 48 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 . . 50438 48 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 . 2 . 2 3 3 GLY H H 1 8.4790 0.0000 . 1 . . . . . -1 GLY H . 50438 48 2 . 2 . 2 3 3 GLY N N 15 110.1380 0.0000 . 1 . . . . . -1 GLY N . 50438 48 3 . 2 . 2 4 4 MET H H 1 8.0090 0.0000 . 1 . . . . . 0 MET H . 50438 48 4 . 2 . 2 4 4 MET N N 15 121.2630 0.0000 . 1 . . . . . 0 MET N . 50438 48 5 . 2 . 2 6 6 GLU H H 1 8.3080 0.0000 . 1 . . . . . 2 GLU H . 50438 48 6 . 2 . 2 6 6 GLU N N 15 122.6150 0.0000 . 1 . . . . . 2 GLU N . 50438 48 7 . 2 . 2 8 8 ALA H H 1 8.2500 0.0000 . 1 . . . . . 4 ALA H . 50438 48 8 . 2 . 2 8 8 ALA N N 15 124.1300 0.0000 . 1 . . . . . 4 ALA N . 50438 48 9 . 2 . 2 9 9 LYS H H 1 8.1580 0.0000 . 1 . . . . . 5 LYS H . 50438 48 10 . 2 . 2 9 9 LYS N N 15 120.8720 0.0000 . 1 . . . . . 5 LYS N . 50438 48 11 . 2 . 2 10 10 SER H H 1 8.1590 0.0000 . 1 . . . . . 6 SER H . 50438 48 12 . 2 . 2 10 10 SER N N 15 117.4030 0.0000 . 1 . . . . . 6 SER N . 50438 48 13 . 2 . 2 11 11 ALA H H 1 8.1670 0.0000 . 1 . . . . . 7 ALA H . 50438 48 14 . 2 . 2 11 11 ALA N N 15 127.1540 0.0000 . 1 . . . . . 7 ALA N . 50438 48 15 . 2 . 2 13 13 ALA H H 1 8.2610 0.0000 . 1 . . . . . 9 ALA H . 50438 48 16 . 2 . 2 13 13 ALA N N 15 125.8830 0.0000 . 1 . . . . . 9 ALA N . 50438 48 17 . 2 . 2 15 15 LYS H H 1 8.3170 0.0000 . 1 . . . . . 11 LYS H . 50438 48 18 . 2 . 2 15 15 LYS N N 15 122.2220 0.0000 . 1 . . . . . 11 LYS N . 50438 48 19 . 2 . 2 16 16 LYS H H 1 8.3470 0.0000 . 1 . . . . . 12 LYS H . 50438 48 20 . 2 . 2 16 16 LYS N N 15 123.2830 0.0000 . 1 . . . . . 12 LYS N . 50438 48 21 . 2 . 2 17 17 GLY H H 1 8.4290 0.0000 . 1 . . . . . 13 GLY H . 50438 48 22 . 2 . 2 17 17 GLY N N 15 110.7940 0.0000 . 1 . . . . . 13 GLY N . 50438 48 23 . 2 . 2 18 18 SER H H 1 8.1290 0.0000 . 1 . . . . . 14 SER H . 50438 48 24 . 2 . 2 18 18 SER N N 15 116.0320 0.0000 . 1 . . . . . 14 SER N . 50438 48 25 . 2 . 2 19 19 LYS H H 1 8.4130 0.0000 . 1 . . . . . 15 LYS H . 50438 48 26 . 2 . 2 19 19 LYS N N 15 123.8370 0.0000 . 1 . . . . . 15 LYS N . 50438 48 27 . 2 . 2 20 20 LYS H H 1 8.2370 0.0000 . 1 . . . . . 16 LYS H . 50438 48 28 . 2 . 2 20 20 LYS N N 15 122.7270 0.0000 . 1 . . . . . 16 LYS N . 50438 48 29 . 2 . 2 21 21 ALA H H 1 8.2270 0.0000 . 1 . . . . . 17 ALA H . 50438 48 30 . 2 . 2 21 21 ALA N N 15 125.5720 0.0000 . 1 . . . . . 17 ALA N . 50438 48 31 . 2 . 2 22 22 VAL H H 1 8.0520 0.0000 . 1 . . . . . 18 VAL H . 50438 48 32 . 2 . 2 22 22 VAL N N 15 119.7450 0.0000 . 1 . . . . . 18 VAL N . 50438 48 33 . 2 . 2 23 23 THR H H 1 8.1260 0.0000 . 1 . . . . . 19 THR H . 50438 48 34 . 2 . 2 23 23 THR N N 15 118.3610 0.0000 . 1 . . . . . 19 THR N . 50438 48 35 . 2 . 2 24 24 LYS H H 1 8.2840 0.0000 . 1 . . . . . 20 LYS H . 50438 48 36 . 2 . 2 24 24 LYS N N 15 124.3110 0.0000 . 1 . . . . . 20 LYS N . 50438 48 37 . 2 . 2 25 25 ALA H H 1 8.2190 0.0000 . 1 . . . . . 21 ALA H . 50438 48 38 . 2 . 2 25 25 ALA N N 15 125.0850 0.0000 . 1 . . . . . 21 ALA N . 50438 48 39 . 2 . 2 26 26 GLN H H 1 8.2150 0.0000 . 1 . . . . . 22 GLN H . 50438 48 40 . 2 . 2 26 26 GLN N N 15 119.9270 0.0000 . 1 . . . . . 22 GLN N . 50438 48 41 . 2 . 2 27 27 LYS H H 1 8.2720 0.0000 . 1 . . . . . 23 LYS H . 50438 48 42 . 2 . 2 27 27 LYS N N 15 123.2630 0.0000 . 1 . . . . . 23 LYS N . 50438 48 43 . 2 . 2 28 28 LYS H H 1 8.3810 0.0000 . 1 . . . . . 24 LYS H . 50438 48 44 . 2 . 2 28 28 LYS N N 15 123.2780 0.0000 . 1 . . . . . 24 LYS N . 50438 48 45 . 2 . 2 29 29 ASP H H 1 8.2360 0.0000 . 1 . . . . . 25 ASP H . 50438 48 46 . 2 . 2 29 29 ASP N N 15 121.2420 0.0000 . 1 . . . . . 25 ASP N . 50438 48 47 . 2 . 2 30 30 GLY H H 1 8.1880 0.0000 . 1 . . . . . 26 GLY H . 50438 48 48 . 2 . 2 30 30 GLY N N 15 109.2590 0.0000 . 1 . . . . . 26 GLY N . 50438 48 49 . 2 . 2 31 31 LYS H H 1 8.0030 0.0000 . 1 . . . . . 27 LYS H . 50438 48 50 . 2 . 2 31 31 LYS N N 15 121.3480 0.0000 . 1 . . . . . 27 LYS N . 50438 48 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_49 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_49 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 49 _Assigned_chem_shift_list.Name H2B_2_308K _Assigned_chem_shift_list.Sample_condition_list_ID 10 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_10 _Assigned_chem_shift_list.Chem_shift_reference_ID 8 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_8 _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 17 '2D 1H-15N' . . . 50438 49 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 . . 50438 49 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 . 2 . 2 10 10 SER H H 1 8.1930 0.0000 . 1 . . . . . 6 SER H . 50438 49 2 . 2 . 2 10 10 SER N N 15 117.5740 0.0000 . 1 . . . . . 6 SER N . 50438 49 3 . 2 . 2 21 21 ALA H H 1 8.2400 0.0000 . 1 . . . . . 17 ALA H . 50438 49 4 . 2 . 2 21 21 ALA N N 15 125.6960 0.0000 . 1 . . . . . 17 ALA N . 50438 49 5 . 2 . 2 22 22 VAL H H 1 8.0670 0.0000 . 1 . . . . . 18 VAL H . 50438 49 6 . 2 . 2 22 22 VAL N N 15 119.9140 0.0000 . 1 . . . . . 18 VAL N . 50438 49 7 . 2 . 2 23 23 THR H H 1 8.1430 0.0000 . 1 . . . . . 19 THR H . 50438 49 8 . 2 . 2 23 23 THR N N 15 118.6090 0.0000 . 1 . . . . . 19 THR N . 50438 49 9 . 2 . 2 24 24 LYS H H 1 8.2920 0.0000 . 1 . . . . . 20 LYS H . 50438 49 10 . 2 . 2 24 24 LYS N N 15 124.3920 0.0000 . 1 . . . . . 20 LYS N . 50438 49 11 . 2 . 2 25 25 ALA H H 1 8.2410 0.0000 . 1 . . . . . 21 ALA H . 50438 49 12 . 2 . 2 25 25 ALA N N 15 125.3020 0.0000 . 1 . . . . . 21 ALA N . 50438 49 13 . 2 . 2 26 26 GLN H H 1 8.2320 0.0000 . 1 . . . . . 22 GLN H . 50438 49 14 . 2 . 2 26 26 GLN N N 15 120.0830 0.0000 . 1 . . . . . 22 GLN N . 50438 49 15 . 2 . 2 27 27 LYS H H 1 8.2900 0.0000 . 1 . . . . . 23 LYS H . 50438 49 16 . 2 . 2 27 27 LYS N N 15 123.3440 0.0000 . 1 . . . . . 23 LYS N . 50438 49 17 . 2 . 2 28 28 LYS H H 1 8.4150 0.0000 . 1 . . . . . 24 LYS H . 50438 49 18 . 2 . 2 28 28 LYS N N 15 123.3930 0.0000 . 1 . . . . . 24 LYS N . 50438 49 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_50 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_50 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 50 _Assigned_chem_shift_list.Name H2A_1_313K _Assigned_chem_shift_list.Sample_condition_list_ID 11 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_11 _Assigned_chem_shift_list.Chem_shift_reference_ID 9 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_9 _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 18 '2D 1H-15N' . . . 50438 50 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 . . 50438 50 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 3 3 GLY H H 1 8.4880 0.0000 . 1 . . . . . -1 GLY H . 50438 50 2 . 1 . 1 3 3 GLY N N 15 109.8760 0.0000 . 1 . . . . . -1 GLY N . 50438 50 3 . 1 . 1 4 4 MET H H 1 8.1670 0.0000 . 1 . . . . . 0 MET H . 50438 50 4 . 1 . 1 4 4 MET N N 15 120.2540 0.0000 . 1 . . . . . 0 MET N . 50438 50 5 . 1 . 1 5 5 SER H H 1 8.2620 0.0000 . 1 . . . . . 1 SER H . 50438 50 6 . 1 . 1 5 5 SER N N 15 117.1460 0.0000 . 1 . . . . . 1 SER N . 50438 50 7 . 1 . 1 6 6 GLY H H 1 8.3500 0.0000 . 1 . . . . . 2 GLY H . 50438 50 8 . 1 . 1 6 6 GLY N N 15 110.9760 0.0000 . 1 . . . . . 2 GLY N . 50438 50 9 . 1 . 1 7 7 ARG H H 1 8.0590 0.0000 . 1 . . . . . 3 ARG H . 50438 50 10 . 1 . 1 7 7 ARG N N 15 120.5490 0.0000 . 1 . . . . . 3 ARG N . 50438 50 11 . 1 . 1 8 8 GLY H H 1 8.3660 0.0000 . 1 . . . . . 4 GLY H . 50438 50 12 . 1 . 1 8 8 GLY N N 15 109.9690 0.0000 . 1 . . . . . 4 GLY N . 50438 50 13 . 1 . 1 9 9 LYS H H 1 8.1060 0.0000 . 1 . . . . . 5 LYS H . 50438 50 14 . 1 . 1 9 9 LYS N N 15 121.2320 0.0000 . 1 . . . . . 5 LYS N . 50438 50 15 . 1 . 1 10 10 GLN H H 1 8.3910 0.0000 . 1 . . . . . 6 GLN H . 50438 50 16 . 1 . 1 10 10 GLN N N 15 121.5930 0.0000 . 1 . . . . . 6 GLN N . 50438 50 17 . 1 . 1 11 11 GLY H H 1 8.2960 0.0000 . 1 . . . . . 7 GLY H . 50438 50 18 . 1 . 1 11 11 GLY N N 15 110.1610 0.0000 . 1 . . . . . 7 GLY N . 50438 50 19 . 1 . 1 12 12 GLY H H 1 8.1970 0.0000 . 1 . . . . . 8 GLY H . 50438 50 20 . 1 . 1 12 12 GLY N N 15 109.1220 0.0000 . 1 . . . . . 8 GLY N . 50438 50 21 . 1 . 1 124 124 THR H H 1 8.1500 0.0000 . 1 . . . . . 120 THR H . 50438 50 22 . 1 . 1 124 124 THR N N 15 116.6600 0.0000 . 1 . . . . . 120 THR N . 50438 50 23 . 1 . 1 125 125 GLU H H 1 8.3780 0.0000 . 1 . . . . . 121 GLU H . 50438 50 24 . 1 . 1 125 125 GLU N N 15 123.8420 0.0000 . 1 . . . . . 121 GLU N . 50438 50 25 . 1 . 1 126 126 SER H H 1 8.2690 0.0000 . 1 . . . . . 122 SER H . 50438 50 26 . 1 . 1 126 126 SER N N 15 117.4780 0.0000 . 1 . . . . . 122 SER N . 50438 50 27 . 1 . 1 127 127 HIS H H 1 8.5270 0.0000 . 1 . . . . . 123 HIS H . 50438 50 28 . 1 . 1 127 127 HIS N N 15 120.6830 0.0000 . 1 . . . . . 123 HIS N . 50438 50 29 . 1 . 1 129 129 LYS H H 1 8.3930 0.0000 . 1 . . . . . 125 LYS H . 50438 50 30 . 1 . 1 129 129 LYS N N 15 123.8150 0.0000 . 1 . . . . . 125 LYS N . 50438 50 31 . 1 . 1 130 130 ALA H H 1 8.3270 0.0000 . 1 . . . . . 126 ALA H . 50438 50 32 . 1 . 1 130 130 ALA N N 15 126.2080 0.0000 . 1 . . . . . 126 ALA N . 50438 50 33 . 1 . 1 131 131 LYS H H 1 8.2960 0.0000 . 1 . . . . . 127 LYS H . 50438 50 34 . 1 . 1 131 131 LYS N N 15 121.3080 0.0000 . 1 . . . . . 127 LYS N . 50438 50 35 . 1 . 1 132 132 GLY H H 1 8.3340 0.0000 . 1 . . . . . 128 GLY H . 50438 50 36 . 1 . 1 132 132 GLY N N 15 110.8410 0.0000 . 1 . . . . . 128 GLY N . 50438 50 37 . 1 . 1 133 133 LYS H H 1 7.7050 0.0000 . 1 . . . . . 129 LYS H . 50438 50 38 . 1 . 1 133 133 LYS N N 15 126.1040 0.0000 . 1 . . . . . 129 LYS N . 50438 50 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_51 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_51 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 51 _Assigned_chem_shift_list.Name H2A_2_313K _Assigned_chem_shift_list.Sample_condition_list_ID 11 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_11 _Assigned_chem_shift_list.Chem_shift_reference_ID 9 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_9 _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 18 '2D 1H-15N' . . . 50438 51 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 . . 50438 51 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 6 6 GLY H H 1 8.3760 0.0000 . 1 . . . . . 2 GLY H . 50438 51 2 . 1 . 1 6 6 GLY N N 15 111.0320 0.0000 . 1 . . . . . 2 GLY N . 50438 51 3 . 1 . 1 7 7 ARG H H 1 8.0690 0.0000 . 1 . . . . . 3 ARG H . 50438 51 4 . 1 . 1 7 7 ARG N N 15 120.5880 0.0000 . 1 . . . . . 3 ARG N . 50438 51 5 . 1 . 1 8 8 GLY H H 1 8.3880 0.0000 . 1 . . . . . 4 GLY H . 50438 51 6 . 1 . 1 8 8 GLY N N 15 110.0800 0.0000 . 1 . . . . . 4 GLY N . 50438 51 7 . 1 . 1 9 9 LYS H H 1 8.1150 0.0000 . 1 . . . . . 5 LYS H . 50438 51 8 . 1 . 1 9 9 LYS N N 15 121.1960 0.0000 . 1 . . . . . 5 LYS N . 50438 51 9 . 1 . 1 10 10 GLN H H 1 8.3960 0.0000 . 1 . . . . . 6 GLN H . 50438 51 10 . 1 . 1 10 10 GLN N N 15 121.6750 0.0000 . 1 . . . . . 6 GLN N . 50438 51 11 . 1 . 1 11 11 GLY H H 1 8.3280 0.0000 . 1 . . . . . 7 GLY H . 50438 51 12 . 1 . 1 11 11 GLY N N 15 110.2700 0.0000 . 1 . . . . . 7 GLY N . 50438 51 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_52 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_52 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 52 _Assigned_chem_shift_list.Name H2B_1_313K _Assigned_chem_shift_list.Sample_condition_list_ID 11 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_11 _Assigned_chem_shift_list.Chem_shift_reference_ID 9 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_9 _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 18 '2D 1H-15N' . . . 50438 52 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 . . 50438 52 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 . 2 . 2 3 3 GLY H H 1 8.4420 0.0000 . 1 . . . . . -1 GLY H . 50438 52 2 . 2 . 2 3 3 GLY N N 15 110.0680 0.0000 . 1 . . . . . -1 GLY N . 50438 52 3 . 2 . 2 4 4 MET H H 1 7.9770 0.0000 . 1 . . . . . 0 MET H . 50438 52 4 . 2 . 2 4 4 MET N N 15 121.2020 0.0000 . 1 . . . . . 0 MET N . 50438 52 5 . 2 . 2 6 6 GLU H H 1 8.2640 0.0000 . 1 . . . . . 2 GLU H . 50438 52 6 . 2 . 2 6 6 GLU N N 15 122.4870 0.0000 . 1 . . . . . 2 GLU N . 50438 52 7 . 2 . 2 8 8 ALA H H 1 8.2090 0.0000 . 1 . . . . . 4 ALA H . 50438 52 8 . 2 . 2 8 8 ALA N N 15 123.9880 0.0000 . 1 . . . . . 4 ALA N . 50438 52 9 . 2 . 2 9 9 LYS H H 1 8.1150 0.0000 . 1 . . . . . 5 LYS H . 50438 52 10 . 2 . 2 9 9 LYS N N 15 120.7360 0.0000 . 1 . . . . . 5 LYS N . 50438 52 11 . 2 . 2 10 10 SER H H 1 8.1220 0.0000 . 1 . . . . . 6 SER H . 50438 52 12 . 2 . 2 10 10 SER N N 15 117.2670 0.0000 . 1 . . . . . 6 SER N . 50438 52 13 . 2 . 2 11 11 ALA H H 1 8.1300 0.0000 . 1 . . . . . 7 ALA H . 50438 52 14 . 2 . 2 11 11 ALA N N 15 127.0870 0.0000 . 1 . . . . . 7 ALA N . 50438 52 15 . 2 . 2 13 13 ALA H H 1 8.2120 0.0000 . 1 . . . . . 9 ALA H . 50438 52 16 . 2 . 2 13 13 ALA N N 15 125.7290 0.0000 . 1 . . . . . 9 ALA N . 50438 52 17 . 2 . 2 15 15 LYS H H 1 8.2780 0.0000 . 1 . . . . . 11 LYS H . 50438 52 18 . 2 . 2 15 15 LYS N N 15 122.0890 0.0000 . 1 . . . . . 11 LYS N . 50438 52 19 . 2 . 2 16 16 LYS H H 1 8.3040 0.0000 . 1 . . . . . 12 LYS H . 50438 52 20 . 2 . 2 16 16 LYS N N 15 123.1340 0.0000 . 1 . . . . . 12 LYS N . 50438 52 21 . 2 . 2 17 17 GLY H H 1 8.3950 0.0000 . 1 . . . . . 13 GLY H . 50438 52 22 . 2 . 2 17 17 GLY N N 15 110.6680 0.0000 . 1 . . . . . 13 GLY N . 50438 52 23 . 2 . 2 18 18 SER H H 1 8.1010 0.0000 . 1 . . . . . 14 SER H . 50438 52 24 . 2 . 2 18 18 SER N N 15 115.9700 0.0000 . 1 . . . . . 14 SER N . 50438 52 25 . 2 . 2 19 19 LYS H H 1 8.3770 0.0000 . 1 . . . . . 15 LYS H . 50438 52 26 . 2 . 2 19 19 LYS N N 15 123.7360 0.0000 . 1 . . . . . 15 LYS N . 50438 52 27 . 2 . 2 20 20 LYS H H 1 8.2070 0.0000 . 1 . . . . . 16 LYS H . 50438 52 28 . 2 . 2 20 20 LYS N N 15 122.6070 0.0000 . 1 . . . . . 16 LYS N . 50438 52 29 . 2 . 2 21 21 ALA H H 1 8.1930 0.0000 . 1 . . . . . 17 ALA H . 50438 52 30 . 2 . 2 21 21 ALA N N 15 125.4800 0.0000 . 1 . . . . . 17 ALA N . 50438 52 31 . 2 . 2 22 22 VAL H H 1 8.0160 0.0000 . 1 . . . . . 18 VAL H . 50438 52 32 . 2 . 2 22 22 VAL N N 15 119.6140 0.0000 . 1 . . . . . 18 VAL N . 50438 52 33 . 2 . 2 23 23 THR H H 1 8.0860 0.0000 . 1 . . . . . 19 THR H . 50438 52 34 . 2 . 2 23 23 THR N N 15 118.1580 0.0000 . 1 . . . . . 19 THR N . 50438 52 35 . 2 . 2 24 24 LYS H H 1 8.2470 0.0000 . 1 . . . . . 20 LYS H . 50438 52 36 . 2 . 2 24 24 LYS N N 15 124.1800 0.0000 . 1 . . . . . 20 LYS N . 50438 52 37 . 2 . 2 25 25 ALA H H 1 8.1840 0.0000 . 1 . . . . . 21 ALA H . 50438 52 38 . 2 . 2 25 25 ALA N N 15 124.9780 0.0000 . 1 . . . . . 21 ALA N . 50438 52 39 . 2 . 2 26 26 GLN H H 1 8.1810 0.0000 . 1 . . . . . 22 GLN H . 50438 52 40 . 2 . 2 26 26 GLN N N 15 119.8420 0.0000 . 1 . . . . . 22 GLN N . 50438 52 41 . 2 . 2 27 27 LYS H H 1 8.2340 0.0000 . 1 . . . . . 23 LYS H . 50438 52 42 . 2 . 2 27 27 LYS N N 15 123.1660 0.0000 . 1 . . . . . 23 LYS N . 50438 52 43 . 2 . 2 28 28 LYS H H 1 8.3480 0.0000 . 1 . . . . . 24 LYS H . 50438 52 44 . 2 . 2 28 28 LYS N N 15 123.1560 0.0000 . 1 . . . . . 24 LYS N . 50438 52 45 . 2 . 2 29 29 ASP H H 1 8.2090 0.0000 . 1 . . . . . 25 ASP H . 50438 52 46 . 2 . 2 29 29 ASP N N 15 121.2000 0.0000 . 1 . . . . . 25 ASP N . 50438 52 47 . 2 . 2 30 30 GLY H H 1 8.1710 0.0000 . 1 . . . . . 26 GLY H . 50438 52 48 . 2 . 2 30 30 GLY N N 15 109.2100 0.0000 . 1 . . . . . 26 GLY N . 50438 52 49 . 2 . 2 31 31 LYS H H 1 7.9880 0.0000 . 1 . . . . . 27 LYS H . 50438 52 50 . 2 . 2 31 31 LYS N N 15 121.2870 0.0000 . 1 . . . . . 27 LYS N . 50438 52 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_53 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_53 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 53 _Assigned_chem_shift_list.Name H2B_2_313K _Assigned_chem_shift_list.Sample_condition_list_ID 11 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_11 _Assigned_chem_shift_list.Chem_shift_reference_ID 9 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_9 _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 18 '2D 1H-15N' . . . 50438 53 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 . . 50438 53 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 . 2 . 2 21 21 ALA H H 1 8.2020 0.0000 . 1 . . . . . 17 ALA H . 50438 53 2 . 2 . 2 21 21 ALA N N 15 125.5870 0.0000 . 1 . . . . . 17 ALA N . 50438 53 3 . 2 . 2 22 22 VAL H H 1 8.0250 0.0000 . 1 . . . . . 18 VAL H . 50438 53 4 . 2 . 2 22 22 VAL N N 15 119.7010 0.0000 . 1 . . . . . 18 VAL N . 50438 53 5 . 2 . 2 23 23 THR H H 1 8.1040 0.0000 . 1 . . . . . 19 THR H . 50438 53 6 . 2 . 2 23 23 THR N N 15 118.4000 0.0000 . 1 . . . . . 19 THR N . 50438 53 7 . 2 . 2 24 24 LYS H H 1 8.2530 0.0000 . 1 . . . . . 20 LYS H . 50438 53 8 . 2 . 2 24 24 LYS N N 15 124.3130 0.0000 . 1 . . . . . 20 LYS N . 50438 53 9 . 2 . 2 25 25 ALA H H 1 8.2050 0.0000 . 1 . . . . . 21 ALA H . 50438 53 10 . 2 . 2 25 25 ALA N N 15 125.2200 0.0000 . 1 . . . . . 21 ALA N . 50438 53 11 . 2 . 2 26 26 GLN H H 1 8.1960 0.0000 . 1 . . . . . 22 GLN H . 50438 53 12 . 2 . 2 26 26 GLN N N 15 119.9740 0.0000 . 1 . . . . . 22 GLN N . 50438 53 13 . 2 . 2 27 27 LYS H H 1 8.2490 0.0000 . 1 . . . . . 23 LYS H . 50438 53 14 . 2 . 2 27 27 LYS N N 15 123.2410 0.0000 . 1 . . . . . 23 LYS N . 50438 53 15 . 2 . 2 28 28 LYS H H 1 8.3730 0.0000 . 1 . . . . . 24 LYS H . 50438 53 16 . 2 . 2 28 28 LYS N N 15 123.3010 0.0000 . 1 . . . . . 24 LYS N . 50438 53 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_54 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_54 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 54 _Assigned_chem_shift_list.Name H2A_1_318K _Assigned_chem_shift_list.Sample_condition_list_ID 12 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_12 _Assigned_chem_shift_list.Chem_shift_reference_ID 10 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_10 _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 19 '2D 1H-15N' . . . 50438 54 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 . . 50438 54 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 3 3 GLY H H 1 8.4530 0.0000 . 1 . . . . . -1 GLY H . 50438 54 2 . 1 . 1 3 3 GLY N N 15 109.8230 0.0000 . 1 . . . . . -1 GLY N . 50438 54 3 . 1 . 1 4 4 MET H H 1 8.1400 0.0000 . 1 . . . . . 0 MET H . 50438 54 4 . 1 . 1 4 4 MET N N 15 120.2250 0.0000 . 1 . . . . . 0 MET N . 50438 54 5 . 1 . 1 5 5 SER H H 1 8.2290 0.0000 . 1 . . . . . 1 SER H . 50438 54 6 . 1 . 1 5 5 SER N N 15 117.1280 0.0000 . 1 . . . . . 1 SER N . 50438 54 7 . 1 . 1 6 6 GLY H H 1 8.3180 0.0000 . 1 . . . . . 2 GLY H . 50438 54 8 . 1 . 1 6 6 GLY N N 15 110.9420 0.0000 . 1 . . . . . 2 GLY N . 50438 54 9 . 1 . 1 7 7 ARG H H 1 8.0340 0.0000 . 1 . . . . . 3 ARG H . 50438 54 10 . 1 . 1 7 7 ARG N N 15 120.5100 0.0000 . 1 . . . . . 3 ARG N . 50438 54 11 . 1 . 1 8 8 GLY H H 1 8.3370 0.0000 . 1 . . . . . 4 GLY H . 50438 54 12 . 1 . 1 8 8 GLY N N 15 109.8880 0.0000 . 1 . . . . . 4 GLY N . 50438 54 13 . 1 . 1 9 9 LYS H H 1 8.0760 0.0000 . 1 . . . . . 5 LYS H . 50438 54 14 . 1 . 1 9 9 LYS N N 15 121.1790 0.0000 . 1 . . . . . 5 LYS N . 50438 54 15 . 1 . 1 10 10 GLN H H 1 8.3560 0.0000 . 1 . . . . . 6 GLN H . 50438 54 16 . 1 . 1 10 10 GLN N N 15 121.5010 0.0000 . 1 . . . . . 6 GLN N . 50438 54 17 . 1 . 1 11 11 GLY H H 1 8.2650 0.0000 . 1 . . . . . 7 GLY H . 50438 54 18 . 1 . 1 11 11 GLY N N 15 110.0940 0.0000 . 1 . . . . . 7 GLY N . 50438 54 19 . 1 . 1 12 12 GLY H H 1 8.1670 0.0000 . 1 . . . . . 8 GLY H . 50438 54 20 . 1 . 1 12 12 GLY N N 15 109.0940 0.0000 . 1 . . . . . 8 GLY N . 50438 54 21 . 1 . 1 124 124 THR H H 1 8.1210 0.0000 . 1 . . . . . 120 THR H . 50438 54 22 . 1 . 1 124 124 THR N N 15 116.5100 0.0000 . 1 . . . . . 120 THR N . 50438 54 23 . 1 . 1 125 125 GLU H H 1 8.3440 0.0000 . 1 . . . . . 121 GLU H . 50438 54 24 . 1 . 1 125 125 GLU N N 15 123.7460 0.0000 . 1 . . . . . 121 GLU N . 50438 54 25 . 1 . 1 126 126 SER H H 1 8.2310 0.0000 . 1 . . . . . 122 SER H . 50438 54 26 . 1 . 1 126 126 SER N N 15 117.4000 0.0000 . 1 . . . . . 122 SER N . 50438 54 27 . 1 . 1 129 129 LYS H H 1 8.3550 0.0000 . 1 . . . . . 125 LYS H . 50438 54 28 . 1 . 1 129 129 LYS N N 15 123.6920 0.0000 . 1 . . . . . 125 LYS N . 50438 54 29 . 1 . 1 130 130 ALA H H 1 8.2890 0.0000 . 1 . . . . . 126 ALA H . 50438 54 30 . 1 . 1 130 130 ALA N N 15 126.0750 0.0000 . 1 . . . . . 126 ALA N . 50438 54 31 . 1 . 1 131 131 LYS H H 1 8.2530 0.0000 . 1 . . . . . 127 LYS H . 50438 54 32 . 1 . 1 131 131 LYS N N 15 121.1840 0.0000 . 1 . . . . . 127 LYS N . 50438 54 33 . 1 . 1 132 132 GLY H H 1 8.2980 0.0000 . 1 . . . . . 128 GLY H . 50438 54 34 . 1 . 1 132 132 GLY N N 15 110.7480 0.0000 . 1 . . . . . 128 GLY N . 50438 54 35 . 1 . 1 133 133 LYS H H 1 7.6760 0.0000 . 1 . . . . . 129 LYS H . 50438 54 36 . 1 . 1 133 133 LYS N N 15 126.0620 0.0000 . 1 . . . . . 129 LYS N . 50438 54 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_55 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_55 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 55 _Assigned_chem_shift_list.Name H2A_2_318K _Assigned_chem_shift_list.Sample_condition_list_ID 12 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_12 _Assigned_chem_shift_list.Chem_shift_reference_ID 10 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_10 _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 19 '2D 1H-15N' . . . 50438 55 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 . . 50438 55 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 6 6 GLY H H 1 8.3440 0.0000 . 1 . . . . . 2 GLY H . 50438 55 2 . 1 . 1 6 6 GLY N N 15 110.9790 0.0000 . 1 . . . . . 2 GLY N . 50438 55 3 . 1 . 1 8 8 GLY H H 1 8.3500 0.0000 . 1 . . . . . 4 GLY H . 50438 55 4 . 1 . 1 8 8 GLY N N 15 109.9720 0.0000 . 1 . . . . . 4 GLY N . 50438 55 5 . 1 . 1 9 9 LYS H H 1 8.0870 0.0000 . 1 . . . . . 5 LYS H . 50438 55 6 . 1 . 1 9 9 LYS N N 15 121.0960 0.0000 . 1 . . . . . 5 LYS N . 50438 55 7 . 1 . 1 10 10 GLN H H 1 8.3630 0.0000 . 1 . . . . . 6 GLN H . 50438 55 8 . 1 . 1 10 10 GLN N N 15 121.6200 0.0000 . 1 . . . . . 6 GLN N . 50438 55 9 . 1 . 1 11 11 GLY H H 1 8.2910 0.0000 . 1 . . . . . 7 GLY H . 50438 55 10 . 1 . 1 11 11 GLY N N 15 110.1960 0.0000 . 1 . . . . . 7 GLY N . 50438 55 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_56 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_56 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 56 _Assigned_chem_shift_list.Name H2B_1_318K _Assigned_chem_shift_list.Sample_condition_list_ID 12 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_12 _Assigned_chem_shift_list.Chem_shift_reference_ID 10 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_10 _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 19 '2D 1H-15N' . . . 50438 56 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 . . 50438 56 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 . 2 . 2 3 3 GLY H H 1 8.4070 0.0000 . 1 . . . . . -1 GLY H . 50438 56 2 . 2 . 2 3 3 GLY N N 15 110.0320 0.0000 . 1 . . . . . -1 GLY N . 50438 56 3 . 2 . 2 4 4 MET H H 1 7.9440 0.0000 . 1 . . . . . 0 MET H . 50438 56 4 . 2 . 2 4 4 MET N N 15 121.1470 0.0000 . 1 . . . . . 0 MET N . 50438 56 5 . 2 . 2 6 6 GLU H H 1 8.2190 0.0000 . 1 . . . . . 2 GLU H . 50438 56 6 . 2 . 2 6 6 GLU N N 15 122.4030 0.0000 . 1 . . . . . 2 GLU N . 50438 56 7 . 2 . 2 8 8 ALA H H 1 8.1650 0.0000 . 1 . . . . . 4 ALA H . 50438 56 8 . 2 . 2 8 8 ALA N N 15 123.7770 0.0000 . 1 . . . . . 4 ALA N . 50438 56 9 . 2 . 2 9 9 LYS H H 1 8.0730 0.0000 . 1 . . . . . 5 LYS H . 50438 56 10 . 2 . 2 9 9 LYS N N 15 120.5960 0.0000 . 1 . . . . . 5 LYS N . 50438 56 11 . 2 . 2 10 10 SER H H 1 8.0830 0.0000 . 1 . . . . . 6 SER H . 50438 56 12 . 2 . 2 10 10 SER N N 15 117.1630 0.0000 . 1 . . . . . 6 SER N . 50438 56 13 . 2 . 2 11 11 ALA H H 1 8.0880 0.0000 . 1 . . . . . 7 ALA H . 50438 56 14 . 2 . 2 11 11 ALA N N 15 126.9940 0.0000 . 1 . . . . . 7 ALA N . 50438 56 15 . 2 . 2 13 13 ALA H H 1 8.1670 0.0000 . 1 . . . . . 9 ALA H . 50438 56 16 . 2 . 2 13 13 ALA N N 15 125.5980 0.0000 . 1 . . . . . 9 ALA N . 50438 56 17 . 2 . 2 15 15 LYS H H 1 8.2360 0.0000 . 1 . . . . . 11 LYS H . 50438 56 18 . 2 . 2 15 15 LYS N N 15 121.9480 0.0000 . 1 . . . . . 11 LYS N . 50438 56 19 . 2 . 2 16 16 LYS H H 1 8.2650 0.0000 . 1 . . . . . 12 LYS H . 50438 56 20 . 2 . 2 16 16 LYS N N 15 122.9920 0.0000 . 1 . . . . . 12 LYS N . 50438 56 21 . 2 . 2 17 17 GLY H H 1 8.3610 0.0000 . 1 . . . . . 13 GLY H . 50438 56 22 . 2 . 2 17 17 GLY N N 15 110.5780 0.0000 . 1 . . . . . 13 GLY N . 50438 56 23 . 2 . 2 18 18 SER H H 1 8.0730 0.0000 . 1 . . . . . 14 SER H . 50438 56 24 . 2 . 2 18 18 SER N N 15 115.9070 0.0000 . 1 . . . . . 14 SER N . 50438 56 25 . 2 . 2 19 19 LYS H H 1 8.3410 0.0000 . 1 . . . . . 15 LYS H . 50438 56 26 . 2 . 2 19 19 LYS N N 15 123.6250 0.0000 . 1 . . . . . 15 LYS N . 50438 56 27 . 2 . 2 20 20 LYS H H 1 8.1750 0.0000 . 1 . . . . . 16 LYS H . 50438 56 28 . 2 . 2 20 20 LYS N N 15 122.4770 0.0000 . 1 . . . . . 16 LYS N . 50438 56 29 . 2 . 2 21 21 ALA H H 1 8.1610 0.0000 . 1 . . . . . 17 ALA H . 50438 56 30 . 2 . 2 21 21 ALA N N 15 125.3090 0.0000 . 1 . . . . . 17 ALA N . 50438 56 31 . 2 . 2 22 22 VAL H H 1 7.9760 0.0000 . 1 . . . . . 18 VAL H . 50438 56 32 . 2 . 2 22 22 VAL N N 15 119.4470 0.0000 . 1 . . . . . 18 VAL N . 50438 56 33 . 2 . 2 23 23 THR H H 1 8.0500 0.0000 . 1 . . . . . 19 THR H . 50438 56 34 . 2 . 2 23 23 THR N N 15 117.9920 0.0000 . 1 . . . . . 19 THR N . 50438 56 35 . 2 . 2 24 24 LYS H H 1 8.2120 0.0000 . 1 . . . . . 20 LYS H . 50438 56 36 . 2 . 2 24 24 LYS N N 15 124.0780 0.0000 . 1 . . . . . 20 LYS N . 50438 56 37 . 2 . 2 25 25 ALA H H 1 8.1510 0.0000 . 1 . . . . . 21 ALA H . 50438 56 38 . 2 . 2 25 25 ALA N N 15 124.8840 0.0000 . 1 . . . . . 21 ALA N . 50438 56 39 . 2 . 2 26 26 GLN H H 1 8.1490 0.0000 . 1 . . . . . 22 GLN H . 50438 56 40 . 2 . 2 26 26 GLN N N 15 119.7880 0.0000 . 1 . . . . . 22 GLN N . 50438 56 41 . 2 . 2 27 27 LYS H H 1 8.1960 0.0000 . 1 . . . . . 23 LYS H . 50438 56 42 . 2 . 2 27 27 LYS N N 15 123.0060 0.0000 . 1 . . . . . 23 LYS N . 50438 56 43 . 2 . 2 28 28 LYS H H 1 8.3180 0.0000 . 1 . . . . . 24 LYS H . 50438 56 44 . 2 . 2 28 28 LYS N N 15 123.1360 0.0000 . 1 . . . . . 24 LYS N . 50438 56 45 . 2 . 2 29 29 ASP H H 1 8.1810 0.0000 . 1 . . . . . 25 ASP H . 50438 56 46 . 2 . 2 29 29 ASP N N 15 121.1670 0.0000 . 1 . . . . . 25 ASP N . 50438 56 47 . 2 . 2 30 30 GLY H H 1 8.1460 0.0000 . 1 . . . . . 26 GLY H . 50438 56 48 . 2 . 2 30 30 GLY N N 15 109.1670 0.0000 . 1 . . . . . 26 GLY N . 50438 56 49 . 2 . 2 31 31 LYS H H 1 7.9570 0.0000 . 1 . . . . . 27 LYS H . 50438 56 50 . 2 . 2 31 31 LYS N N 15 121.2270 0.0000 . 1 . . . . . 27 LYS N . 50438 56 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_57 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_57 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 57 _Assigned_chem_shift_list.Name H2B_2_318K _Assigned_chem_shift_list.Sample_condition_list_ID 12 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_12 _Assigned_chem_shift_list.Chem_shift_reference_ID 10 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_10 _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 19 '2D 1H-15N' . . . 50438 57 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 . . 50438 57 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 . 2 . 2 21 21 ALA H H 1 8.1670 0.0000 . 1 . . . . . 17 ALA H . 50438 57 2 . 2 . 2 21 21 ALA N N 15 125.4820 0.0000 . 1 . . . . . 17 ALA N . 50438 57 3 . 2 . 2 22 22 VAL H H 1 7.9860 0.0000 . 1 . . . . . 18 VAL H . 50438 57 4 . 2 . 2 22 22 VAL N N 15 119.5390 0.0000 . 1 . . . . . 18 VAL N . 50438 57 5 . 2 . 2 23 23 THR H H 1 8.0660 0.0000 . 1 . . . . . 19 THR H . 50438 57 6 . 2 . 2 23 23 THR N N 15 118.1820 0.0000 . 1 . . . . . 19 THR N . 50438 57 7 . 2 . 2 24 24 LYS H H 1 8.2150 0.0000 . 1 . . . . . 20 LYS H . 50438 57 8 . 2 . 2 24 24 LYS N N 15 124.1610 0.0000 . 1 . . . . . 20 LYS N . 50438 57 9 . 2 . 2 25 25 ALA H H 1 8.1710 0.0000 . 1 . . . . . 21 ALA H . 50438 57 10 . 2 . 2 25 25 ALA N N 15 125.1180 0.0000 . 1 . . . . . 21 ALA N . 50438 57 11 . 2 . 2 26 26 GLN H H 1 8.1580 0.0000 . 1 . . . . . 22 GLN H . 50438 57 12 . 2 . 2 26 26 GLN N N 15 119.8580 0.0000 . 1 . . . . . 22 GLN N . 50438 57 13 . 2 . 2 27 27 LYS H H 1 8.2190 0.0000 . 1 . . . . . 23 LYS H . 50438 57 14 . 2 . 2 27 27 LYS N N 15 123.1020 0.0000 . 1 . . . . . 23 LYS N . 50438 57 15 . 2 . 2 28 28 LYS H H 1 8.3410 0.0000 . 1 . . . . . 24 LYS H . 50438 57 16 . 2 . 2 28 28 LYS N N 15 123.1980 0.0000 . 1 . . . . . 24 LYS N . 50438 57 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_58 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_58 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 58 _Assigned_chem_shift_list.Name H2A_1_323K _Assigned_chem_shift_list.Sample_condition_list_ID 13 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_13 _Assigned_chem_shift_list.Chem_shift_reference_ID 11 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_11 _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 20 '2D 1H-15N' . . . 50438 58 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 . . 50438 58 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 3 3 GLY H H 1 8.4200 0.0000 . 1 . . . . . -1 GLY H . 50438 58 2 . 1 . 1 3 3 GLY N N 15 109.7060 0.0000 . 1 . . . . . -1 GLY N . 50438 58 3 . 1 . 1 4 4 MET H H 1 8.1070 0.0000 . 1 . . . . . 0 MET H . 50438 58 4 . 1 . 1 4 4 MET N N 15 120.2300 0.0000 . 1 . . . . . 0 MET N . 50438 58 5 . 1 . 1 5 5 SER H H 1 8.1980 0.0000 . 1 . . . . . 1 SER H . 50438 58 6 . 1 . 1 5 5 SER N N 15 117.0270 0.0000 . 1 . . . . . 1 SER N . 50438 58 7 . 1 . 1 7 7 ARG H H 1 8.0100 0.0000 . 1 . . . . . 3 ARG H . 50438 58 8 . 1 . 1 7 7 ARG N N 15 120.4950 0.0000 . 1 . . . . . 3 ARG N . 50438 58 9 . 1 . 1 8 8 GLY H H 1 8.3040 0.0000 . 1 . . . . . 4 GLY H . 50438 58 10 . 1 . 1 8 8 GLY N N 15 109.8060 0.0000 . 1 . . . . . 4 GLY N . 50438 58 11 . 1 . 1 10 10 GLN H H 1 8.3230 0.0000 . 1 . . . . . 6 GLN H . 50438 58 12 . 1 . 1 10 10 GLN N N 15 121.4260 0.0000 . 1 . . . . . 6 GLN N . 50438 58 13 . 1 . 1 11 11 GLY H H 1 8.2390 0.0000 . 1 . . . . . 7 GLY H . 50438 58 14 . 1 . 1 11 11 GLY N N 15 110.0150 0.0000 . 1 . . . . . 7 GLY N . 50438 58 15 . 1 . 1 12 12 GLY H H 1 8.1430 0.0000 . 1 . . . . . 8 GLY H . 50438 58 16 . 1 . 1 12 12 GLY N N 15 109.0360 0.0000 . 1 . . . . . 8 GLY N . 50438 58 17 . 1 . 1 124 124 THR H H 1 8.0870 0.0000 . 1 . . . . . 120 THR H . 50438 58 18 . 1 . 1 124 124 THR N N 15 116.3140 0.0000 . 1 . . . . . 120 THR N . 50438 58 19 . 1 . 1 125 125 GLU H H 1 8.3110 0.0000 . 1 . . . . . 121 GLU H . 50438 58 20 . 1 . 1 125 125 GLU N N 15 123.6430 0.0000 . 1 . . . . . 121 GLU N . 50438 58 21 . 1 . 1 126 126 SER H H 1 8.1950 0.0000 . 1 . . . . . 122 SER H . 50438 58 22 . 1 . 1 126 126 SER N N 15 117.2640 0.0000 . 1 . . . . . 122 SER N . 50438 58 23 . 1 . 1 129 129 LYS H H 1 8.3190 0.0000 . 1 . . . . . 125 LYS H . 50438 58 24 . 1 . 1 129 129 LYS N N 15 123.5950 0.0000 . 1 . . . . . 125 LYS N . 50438 58 25 . 1 . 1 130 130 ALA H H 1 8.2500 0.0000 . 1 . . . . . 126 ALA H . 50438 58 26 . 1 . 1 130 130 ALA N N 15 125.9430 0.0000 . 1 . . . . . 126 ALA N . 50438 58 27 . 1 . 1 131 131 LYS H H 1 8.2160 0.0000 . 1 . . . . . 127 LYS H . 50438 58 28 . 1 . 1 131 131 LYS N N 15 121.0910 0.0000 . 1 . . . . . 127 LYS N . 50438 58 29 . 1 . 1 132 132 GLY H H 1 8.2640 0.0000 . 1 . . . . . 128 GLY H . 50438 58 30 . 1 . 1 132 132 GLY N N 15 110.6560 0.0000 . 1 . . . . . 128 GLY N . 50438 58 31 . 1 . 1 133 133 LYS H H 1 7.6460 0.0000 . 1 . . . . . 129 LYS H . 50438 58 32 . 1 . 1 133 133 LYS N N 15 126.0150 0.0000 . 1 . . . . . 129 LYS N . 50438 58 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_59 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_59 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 59 _Assigned_chem_shift_list.Name H2A_2_323K _Assigned_chem_shift_list.Sample_condition_list_ID 13 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_13 _Assigned_chem_shift_list.Chem_shift_reference_ID 11 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_11 _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 20 '2D 1H-15N' . . . 50438 59 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 . . 50438 59 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 8 8 GLY H H 1 8.3160 0.0000 . 1 . . . . . 4 GLY H . 50438 59 2 . 1 . 1 8 8 GLY N N 15 109.8770 0.0000 . 1 . . . . . 4 GLY N . 50438 59 3 . 1 . 1 9 9 LYS H H 1 8.0580 0.0000 . 1 . . . . . 5 LYS H . 50438 59 4 . 1 . 1 9 9 LYS N N 15 121.0830 0.0000 . 1 . . . . . 5 LYS N . 50438 59 5 . 1 . 1 10 10 GLN H H 1 8.3260 0.0000 . 1 . . . . . 6 GLN H . 50438 59 6 . 1 . 1 10 10 GLN N N 15 121.4870 0.0000 . 1 . . . . . 6 GLN N . 50438 59 7 . 1 . 1 11 11 GLY H H 1 8.2630 0.0000 . 1 . . . . . 7 GLY H . 50438 59 8 . 1 . 1 11 11 GLY N N 15 110.1450 0.0000 . 1 . . . . . 7 GLY N . 50438 59 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_60 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_60 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 60 _Assigned_chem_shift_list.Name H2B_1_323K _Assigned_chem_shift_list.Sample_condition_list_ID 13 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_13 _Assigned_chem_shift_list.Chem_shift_reference_ID 11 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_11 _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 20 '2D 1H-15N' . . . 50438 60 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 . . 50438 60 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 . 2 . 2 3 3 GLY H H 1 8.3730 0.0000 . 1 . . . . . -1 GLY H . 50438 60 2 . 2 . 2 3 3 GLY N N 15 109.8590 0.0000 . 1 . . . . . -1 GLY N . 50438 60 3 . 2 . 2 4 4 MET H H 1 7.9120 0.0000 . 1 . . . . . 0 MET H . 50438 60 4 . 2 . 2 4 4 MET N N 15 121.0780 0.0000 . 1 . . . . . 0 MET N . 50438 60 5 . 2 . 2 6 6 GLU H H 1 8.1760 0.0000 . 1 . . . . . 2 GLU H . 50438 60 6 . 2 . 2 6 6 GLU N N 15 122.2700 0.0000 . 1 . . . . . 2 GLU N . 50438 60 7 . 2 . 2 8 8 ALA H H 1 8.1270 0.0000 . 1 . . . . . 4 ALA H . 50438 60 8 . 2 . 2 8 8 ALA N N 15 123.6590 0.0000 . 1 . . . . . 4 ALA N . 50438 60 9 . 2 . 2 9 9 LYS H H 1 8.0340 0.0000 . 1 . . . . . 5 LYS H . 50438 60 10 . 2 . 2 9 9 LYS N N 15 120.4720 0.0000 . 1 . . . . . 5 LYS N . 50438 60 11 . 2 . 2 10 10 SER H H 1 8.0520 0.0000 . 1 . . . . . 6 SER H . 50438 60 12 . 2 . 2 10 10 SER N N 15 116.9700 0.0000 . 1 . . . . . 6 SER N . 50438 60 13 . 2 . 2 11 11 ALA H H 1 8.0490 0.0000 . 1 . . . . . 7 ALA H . 50438 60 14 . 2 . 2 11 11 ALA N N 15 126.9180 0.0000 . 1 . . . . . 7 ALA N . 50438 60 15 . 2 . 2 13 13 ALA H H 1 8.1230 0.0000 . 1 . . . . . 9 ALA H . 50438 60 16 . 2 . 2 13 13 ALA N N 15 125.4770 0.0000 . 1 . . . . . 9 ALA N . 50438 60 17 . 2 . 2 15 15 LYS H H 1 8.1990 0.0000 . 1 . . . . . 11 LYS H . 50438 60 18 . 2 . 2 15 15 LYS N N 15 121.8530 0.0000 . 1 . . . . . 11 LYS N . 50438 60 19 . 2 . 2 16 16 LYS H H 1 8.2240 0.0000 . 1 . . . . . 12 LYS H . 50438 60 20 . 2 . 2 16 16 LYS N N 15 122.8720 0.0000 . 1 . . . . . 12 LYS N . 50438 60 21 . 2 . 2 17 17 GLY H H 1 8.3330 0.0000 . 1 . . . . . 13 GLY H . 50438 60 22 . 2 . 2 17 17 GLY N N 15 110.4690 0.0000 . 1 . . . . . 13 GLY N . 50438 60 23 . 2 . 2 18 18 SER H H 1 8.0480 0.0000 . 1 . . . . . 14 SER H . 50438 60 24 . 2 . 2 18 18 SER N N 15 115.8580 0.0000 . 1 . . . . . 14 SER N . 50438 60 25 . 2 . 2 19 19 LYS H H 1 8.3070 0.0000 . 1 . . . . . 15 LYS H . 50438 60 26 . 2 . 2 19 19 LYS N N 15 123.5260 0.0000 . 1 . . . . . 15 LYS N . 50438 60 27 . 2 . 2 20 20 LYS H H 1 8.1460 0.0000 . 1 . . . . . 16 LYS H . 50438 60 28 . 2 . 2 20 20 LYS N N 15 122.3640 0.0000 . 1 . . . . . 16 LYS N . 50438 60 29 . 2 . 2 21 21 ALA H H 1 8.1320 0.0000 . 1 . . . . . 17 ALA H . 50438 60 30 . 2 . 2 21 21 ALA N N 15 125.2820 0.0000 . 1 . . . . . 17 ALA N . 50438 60 31 . 2 . 2 22 22 VAL H H 1 7.9400 0.0000 . 1 . . . . . 18 VAL H . 50438 60 32 . 2 . 2 22 22 VAL N N 15 119.2830 0.0000 . 1 . . . . . 18 VAL N . 50438 60 33 . 2 . 2 23 23 THR H H 1 8.0190 0.0000 . 1 . . . . . 19 THR H . 50438 60 34 . 2 . 2 23 23 THR N N 15 117.7910 0.0000 . 1 . . . . . 19 THR N . 50438 60 35 . 2 . 2 24 24 LYS H H 1 8.1750 0.0000 . 1 . . . . . 20 LYS H . 50438 60 36 . 2 . 2 24 24 LYS N N 15 123.9890 0.0000 . 1 . . . . . 20 LYS N . 50438 60 37 . 2 . 2 25 25 ALA H H 1 8.1210 0.0000 . 1 . . . . . 21 ALA H . 50438 60 38 . 2 . 2 25 25 ALA N N 15 124.8170 0.0000 . 1 . . . . . 21 ALA N . 50438 60 39 . 2 . 2 26 26 GLN H H 1 8.1200 0.0000 . 1 . . . . . 22 GLN H . 50438 60 40 . 2 . 2 26 26 GLN N N 15 119.7210 0.0000 . 1 . . . . . 22 GLN N . 50438 60 41 . 2 . 2 27 27 LYS H H 1 8.1630 0.0000 . 1 . . . . . 23 LYS H . 50438 60 42 . 2 . 2 27 27 LYS N N 15 122.9330 0.0000 . 1 . . . . . 23 LYS N . 50438 60 43 . 2 . 2 28 28 LYS H H 1 8.2780 0.0000 . 1 . . . . . 24 LYS H . 50438 60 44 . 2 . 2 28 28 LYS N N 15 123.0120 0.0000 . 1 . . . . . 24 LYS N . 50438 60 45 . 2 . 2 29 29 ASP H H 1 8.1550 0.0000 . 1 . . . . . 25 ASP H . 50438 60 46 . 2 . 2 29 29 ASP N N 15 121.1200 0.0000 . 1 . . . . . 25 ASP N . 50438 60 47 . 2 . 2 30 30 GLY H H 1 8.1280 0.0000 . 1 . . . . . 26 GLY H . 50438 60 48 . 2 . 2 30 30 GLY N N 15 109.1160 0.0000 . 1 . . . . . 26 GLY N . 50438 60 49 . 2 . 2 31 31 LYS H H 1 7.9370 0.0000 . 1 . . . . . 27 LYS H . 50438 60 50 . 2 . 2 31 31 LYS N N 15 121.1340 0.0000 . 1 . . . . . 27 LYS N . 50438 60 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_61 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_61 _Assigned_chem_shift_list.Entry_ID 50438 _Assigned_chem_shift_list.ID 61 _Assigned_chem_shift_list.Name H2B_2_323K _Assigned_chem_shift_list.Sample_condition_list_ID 13 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_13 _Assigned_chem_shift_list.Chem_shift_reference_ID 11 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_11 _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 20 '2D 1H-15N' . . . 50438 61 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 . . 50438 61 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 . 2 . 2 21 21 ALA H H 1 8.1390 0.0000 . 1 . . . . . 17 ALA H . 50438 61 2 . 2 . 2 21 21 ALA N N 15 125.4180 0.0000 . 1 . . . . . 17 ALA N . 50438 61 3 . 2 . 2 22 22 VAL H H 1 7.9500 0.0000 . 1 . . . . . 18 VAL H . 50438 61 4 . 2 . 2 22 22 VAL N N 15 119.3780 0.0000 . 1 . . . . . 18 VAL N . 50438 61 5 . 2 . 2 23 23 THR H H 1 8.0310 0.0000 . 1 . . . . . 19 THR H . 50438 61 6 . 2 . 2 23 23 THR N N 15 117.9740 0.0000 . 1 . . . . . 19 THR N . 50438 61 7 . 2 . 2 24 24 LYS H H 1 8.1800 0.0000 . 1 . . . . . 20 LYS H . 50438 61 8 . 2 . 2 24 24 LYS N N 15 124.0500 0.0000 . 1 . . . . . 20 LYS N . 50438 61 9 . 2 . 2 25 25 ALA H H 1 8.1340 0.0000 . 1 . . . . . 21 ALA H . 50438 61 10 . 2 . 2 25 25 ALA N N 15 125.0960 0.0000 . 1 . . . . . 21 ALA N . 50438 61 11 . 2 . 2 26 26 GLN H H 1 8.1300 0.0000 . 1 . . . . . 22 GLN H . 50438 61 12 . 2 . 2 26 26 GLN N N 15 119.7990 0.0000 . 1 . . . . . 22 GLN N . 50438 61 13 . 2 . 2 27 27 LYS H H 1 8.1830 0.0000 . 1 . . . . . 23 LYS H . 50438 61 14 . 2 . 2 27 27 LYS N N 15 122.9890 0.0000 . 1 . . . . . 23 LYS N . 50438 61 15 . 2 . 2 28 28 LYS H H 1 8.3030 0.0000 . 1 . . . . . 24 LYS H . 50438 61 16 . 2 . 2 28 28 LYS N N 15 123.1170 0.0000 . 1 . . . . . 24 LYS N . 50438 61 stop_ save_